NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
2671 | 1cey | 2950 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1011 H/Q atoms Start of MODEL 1 1 H ALA 2 HN ALA 2 -14.087 0.200 7.708 2 HA ALA 2 HA ALA 2 -12.589 0.808 10.202 3 1HB ALA 2 HB2 ALA 2 -11.412 -0.263 7.636 4 2HB ALA 2 HB1 ALA 2 -10.453 0.723 8.740 5 3HB ALA 2 HB3 ALA 2 -11.125 -0.812 9.288 6 H ASP 3 HN ASP 3 -14.076 2.738 9.738 7 HA ASP 3 HA ASP 3 -14.252 4.985 9.073 8 1HB ASP 3 HB2 ASP 3 -11.504 4.460 9.317 9 2HB ASP 3 HB1 ASP 3 -11.677 5.241 7.745 10 H LYS 4 HN LYS 4 -15.204 5.848 7.240 11 HA LYS 4 HA LYS 4 -15.012 4.231 4.780 12 1HB LYS 4 HB2 LYS 4 -16.695 6.701 5.218 13 2HB LYS 4 HB1 LYS 4 -16.907 5.457 3.989 14 1HG LYS 4 HG2 LYS 4 -16.906 4.057 6.420 15 2HG LYS 4 HG1 LYS 4 -17.860 5.504 6.742 16 1HD LYS 4 HD2 LYS 4 -18.322 3.693 4.348 17 2HD LYS 4 HD1 LYS 4 -19.201 3.554 5.868 18 1HE LYS 4 HE2 LYS 4 -19.077 6.164 4.351 19 2HE LYS 4 HE1 LYS 4 -20.315 4.953 4.024 20 1HZ LYS 4 HZ3 LYS 4 -20.763 5.009 6.490 21 2HZ LYS 4 HZ2 LYS 4 -19.808 6.413 6.547 22 3HZ LYS 4 HZ1 LYS 4 -21.228 6.386 5.616 23 H GLU 5 HN GLU 5 -12.902 6.277 5.863 24 HA GLU 5 HA GLU 5 -12.326 7.365 3.190 25 1HB GLU 5 HB2 GLU 5 -12.054 9.695 4.107 26 2HB GLU 5 HB1 GLU 5 -13.725 9.135 4.042 27 1HG GLU 5 HG2 GLU 5 -13.948 9.328 6.274 28 2HG GLU 5 HG1 GLU 5 -12.491 8.374 6.553 29 H LEU 6 HN LEU 6 -10.882 5.440 4.718 30 HA LEU 6 HA LEU 6 -8.770 6.680 6.199 31 1HB LEU 6 HB2 LEU 6 -9.306 4.286 6.412 32 2HB LEU 6 HB1 LEU 6 -8.819 4.020 4.746 33 HG LEU 6 HG LEU 6 -6.510 4.706 5.289 34 1HD1 LEU 6 HD12 LEU 6 -7.808 5.374 7.894 35 2HD1 LEU 6 HD11 LEU 6 -6.146 4.785 7.916 36 3HD1 LEU 6 HD13 LEU 6 -6.553 6.242 7.009 37 1HD2 LEU 6 HD21 LEU 6 -7.905 2.496 6.706 38 2HD2 LEU 6 HD23 LEU 6 -6.566 2.434 5.564 39 3HD2 LEU 6 HD22 LEU 6 -6.272 2.870 7.247 40 H LYS 7 HN LYS 7 -6.746 7.425 5.433 41 HA LYS 7 HA LYS 7 -6.730 8.257 2.647 42 1HB LYS 7 HB2 LYS 7 -5.076 8.730 5.060 43 2HB LYS 7 HB1 LYS 7 -4.260 8.891 3.508 44 1HG LYS 7 HG2 LYS 7 -5.650 10.639 2.803 45 2HG LYS 7 HG1 LYS 7 -6.934 10.197 3.929 46 1HD LYS 7 HD2 LYS 7 -5.515 10.909 5.824 47 2HD LYS 7 HD1 LYS 7 -4.246 11.377 4.691 48 1HE LYS 7 HE2 LYS 7 -6.570 12.621 3.728 49 2HE LYS 7 HE1 LYS 7 -6.625 12.843 5.476 50 1HZ LYS 7 HZ2 LYS 7 -4.207 13.531 5.253 51 2HZ LYS 7 HZ1 LYS 7 -4.508 13.667 3.586 52 3HZ LYS 7 HZ3 LYS 7 -5.375 14.626 4.683 53 H PHE 8 HN PHE 8 -5.730 7.284 0.942 54 HA PHE 8 HA PHE 8 -3.818 5.067 1.503 55 1HB PHE 8 HB2 PHE 8 -5.883 5.342 -0.694 56 2HB PHE 8 HB1 PHE 8 -4.639 4.116 -0.674 57 HD1 PHE 8 HD2 PHE 8 -7.620 5.388 1.094 58 HD2 PHE 8 HD1 PHE 8 -4.852 2.149 0.666 59 HE1 PHE 8 HE2 PHE 8 -9.088 3.951 2.475 60 HE2 PHE 8 HE1 PHE 8 -6.331 0.697 2.051 61 HZ PHE 8 HZ PHE 8 -8.446 1.611 2.959 62 H LEU 9 HN LEU 9 -2.015 4.941 0.142 63 HA LEU 9 HA LEU 9 -1.695 7.181 -1.829 64 1HB LEU 9 HB2 LEU 9 -0.284 7.520 0.095 65 2HB LEU 9 HB1 LEU 9 0.412 5.933 -0.061 66 HG LEU 9 HG LEU 9 1.238 6.596 -2.345 67 1HD1 LEU 9 HD11 LEU 9 -0.113 9.143 -1.514 68 2HD1 LEU 9 HD13 LEU 9 1.325 9.227 -2.525 69 3HD1 LEU 9 HD12 LEU 9 -0.098 8.352 -3.086 70 1HD2 LEU 9 HD23 LEU 9 2.138 7.600 0.241 71 2HD2 LEU 9 HD22 LEU 9 3.071 6.891 -1.070 72 3HD2 LEU 9 HD21 LEU 9 2.683 8.609 -1.097 73 H VAL 10 HN VAL 10 -1.699 6.341 -3.846 74 HA VAL 10 HA VAL 10 -0.652 3.577 -4.263 75 HB VAL 10 HB VAL 10 -1.807 4.128 -6.607 76 1HG1 VAL 10 HG13 VAL 10 -3.200 3.354 -4.030 77 2HG1 VAL 10 HG12 VAL 10 -3.936 3.184 -5.623 78 3HG1 VAL 10 HG11 VAL 10 -2.483 2.269 -5.221 79 1HG2 VAL 10 HG23 VAL 10 -2.316 6.475 -5.854 80 2HG2 VAL 10 HG22 VAL 10 -3.742 5.565 -6.350 81 3HG2 VAL 10 HG21 VAL 10 -3.395 5.793 -4.637 82 H VAL 11 HN VAL 11 1.480 3.687 -4.790 83 HA VAL 11 HA VAL 11 2.419 5.866 -6.545 84 HB VAL 11 HB VAL 11 3.989 3.983 -4.771 85 1HG1 VAL 11 HG12 VAL 11 4.737 6.035 -6.786 86 2HG1 VAL 11 HG11 VAL 11 5.618 6.093 -5.259 87 3HG1 VAL 11 HG13 VAL 11 5.635 4.623 -6.230 88 1HG2 VAL 11 HG22 VAL 11 2.523 6.422 -4.263 89 2HG2 VAL 11 HG21 VAL 11 3.369 5.383 -3.118 90 3HG2 VAL 11 HG23 VAL 11 4.239 6.666 -3.955 91 H ASP 12 HN ASP 12 1.005 3.343 -7.377 92 HA ASP 12 HA ASP 12 2.964 1.611 -8.608 93 1HB ASP 12 HB2 ASP 12 0.720 1.199 -10.087 94 2HB ASP 12 HB1 ASP 12 0.994 0.457 -8.511 95 H ASP 13 HN ASP 13 4.240 2.213 -10.290 96 HA ASP 13 HA ASP 13 3.808 4.591 -11.836 97 1HB ASP 13 HB2 ASP 13 5.606 2.188 -12.144 98 2HB ASP 13 HB1 ASP 13 5.541 3.432 -13.393 99 H PHE 14 HN PHE 14 2.415 1.477 -12.019 100 HA PHE 14 HA PHE 14 1.992 0.986 -14.724 101 1HB PHE 14 HB2 PHE 14 0.649 0.315 -12.248 102 2HB PHE 14 HB1 PHE 14 -0.530 0.592 -13.528 103 HD1 PHE 14 HD1 PHE 14 0.302 -0.411 -15.919 104 HD2 PHE 14 HD2 PHE 14 1.434 -1.873 -12.040 105 HE1 PHE 14 HE1 PHE 14 0.842 -2.621 -16.907 106 HE2 PHE 14 HE2 PHE 14 1.973 -4.080 -13.029 107 HZ PHE 14 HZ PHE 14 1.677 -4.455 -15.463 108 H SER 15 HN SER 15 0.682 1.856 -16.327 109 HA SER 15 HA SER 15 -0.509 4.512 -15.719 110 1HB SER 15 HB2 SER 15 -0.375 4.954 -18.058 111 2HB SER 15 HB1 SER 15 1.131 4.139 -17.647 112 HG SER 15 HG SER 15 -1.058 2.570 -18.381 113 H THR 16 HN THR 16 -2.013 2.441 -14.681 114 HA THR 16 HA THR 16 -4.576 2.879 -15.813 115 HB THR 16 HB THR 16 -4.164 1.580 -17.706 116 HG1 THR 16 HG1 THR 16 -4.855 -0.412 -15.817 117 1HG2 THR 16 HG21 THR 16 -2.250 0.184 -15.898 118 2HG2 THR 16 HG23 THR 16 -2.920 -0.745 -17.240 119 3HG2 THR 16 HG22 THR 16 -2.027 0.743 -17.556 120 H MET 17 HN MET 17 -2.468 0.677 -14.027 121 HA MET 17 HA MET 17 -4.490 -0.709 -12.574 122 1HB MET 17 HB2 MET 17 -1.908 -1.108 -12.687 123 2HB MET 17 HB1 MET 17 -1.847 0.021 -11.333 124 1HG MET 17 HG2 MET 17 -2.124 -1.935 -10.148 125 2HG MET 17 HG1 MET 17 -3.820 -1.551 -10.438 126 1HE MET 17 HE1 MET 17 -3.491 -3.836 -9.522 127 2HE MET 17 HE3 MET 17 -4.247 -5.030 -10.587 128 3HE MET 17 HE2 MET 17 -2.513 -5.090 -10.280 129 NH1 ARG 18 NH1 ARG 18 -4.888 6.621 -14.248 130 NH2 ARG 18 NH2 ARG 18 -2.711 7.071 -14.651 131 H ARG 18 HN ARG 18 -2.700 2.279 -11.775 132 HA ARG 18 HA ARG 18 -3.763 2.802 -9.244 133 1HB ARG 18 HB2 ARG 18 -2.791 4.837 -9.498 134 2HB ARG 18 HB1 ARG 18 -2.229 4.193 -11.029 135 1HG ARG 18 HG2 ARG 18 -4.308 5.113 -12.114 136 2HG ARG 18 HG1 ARG 18 -4.681 5.911 -10.582 137 1HD ARG 18 HD2 ARG 18 -2.758 7.284 -10.707 138 2HD ARG 18 HD1 ARG 18 -2.024 6.293 -11.967 139 HE ARG 18 HE ARG 18 -3.932 8.422 -12.398 140 1HH1 ARG 18 HH11 ARG 18 -5.672 6.621 -13.628 141 2HH1 ARG 18 HH12 ARG 18 -4.989 6.273 -15.180 142 1HH2 ARG 18 HH21 ARG 18 -1.826 7.417 -14.339 143 2HH2 ARG 18 HH22 ARG 18 -2.812 6.724 -15.583 144 NH1 ARG 19 NH2 ARG 19 -12.601 4.845 -12.454 145 NH2 ARG 19 NH1 ARG 19 -12.291 7.080 -12.328 146 H ARG 19 HN ARG 19 -5.291 3.129 -12.385 147 HA ARG 19 HA ARG 19 -7.494 4.648 -11.362 148 1HB ARG 19 HB2 ARG 19 -6.978 4.777 -13.726 149 2HB ARG 19 HB1 ARG 19 -7.173 3.035 -13.908 150 1HG ARG 19 HG2 ARG 19 -9.152 4.356 -14.711 151 2HG ARG 19 HG1 ARG 19 -9.554 3.196 -13.448 152 1HD ARG 19 HD2 ARG 19 -9.808 4.864 -11.820 153 2HD ARG 19 HD1 ARG 19 -8.828 6.023 -12.718 154 HE ARG 19 HE ARG 19 -10.786 6.070 -14.376 155 1HH1 ARG 19 HH21 ARG 19 -12.300 3.945 -12.769 156 2HH1 ARG 19 HH22 ARG 19 -13.443 4.931 -11.920 157 1HH2 ARG 19 HH11 ARG 19 -11.752 7.893 -12.547 158 2HH2 ARG 19 HH12 ARG 19 -13.132 7.167 -11.794 159 H ILE 20 HN ILE 20 -6.974 1.208 -12.048 160 HA ILE 20 HA ILE 20 -9.598 0.272 -11.523 161 HB ILE 20 HB ILE 20 -6.859 -0.906 -11.499 162 1HG1 ILE 20 HG12 ILE 20 -7.899 -2.433 -13.096 163 2HG1 ILE 20 HG11 ILE 20 -9.496 -1.791 -12.709 164 1HG2 ILE 20 HG21 ILE 20 -9.250 -2.140 -10.114 165 2HG2 ILE 20 HG23 ILE 20 -7.945 -3.119 -10.779 166 3HG2 ILE 20 HG22 ILE 20 -7.604 -1.961 -9.497 167 1HD1 ILE 20 HD13 ILE 20 -7.376 0.128 -13.582 168 2HD1 ILE 20 HD12 ILE 20 -8.134 -0.888 -14.807 169 3HD1 ILE 20 HD11 ILE 20 -9.119 0.200 -13.829 170 H VAL 21 HN VAL 21 -6.819 0.482 -9.280 171 HA VAL 21 HA VAL 21 -8.246 -0.360 -6.977 172 HB VAL 21 HB VAL 21 -6.331 1.434 -6.038 173 1HG1 VAL 21 HG12 VAL 21 -6.195 -1.505 -6.760 174 2HG1 VAL 21 HG11 VAL 21 -4.984 -0.682 -5.775 175 3HG1 VAL 21 HG13 VAL 21 -6.646 -0.815 -5.201 176 1HG2 VAL 21 HG21 VAL 21 -5.696 1.728 -8.477 177 2HG2 VAL 21 HG23 VAL 21 -4.397 1.133 -7.445 178 3HG2 VAL 21 HG22 VAL 21 -5.266 0.017 -8.497 179 NH1 ARG 22 NH1 ARG 22 -10.781 7.940 -10.124 180 NH2 ARG 22 NH2 ARG 22 -9.382 8.230 -11.875 181 H ARG 22 HN ARG 22 -7.768 2.892 -8.331 182 HA ARG 22 HA ARG 22 -8.794 4.498 -6.302 183 1HB ARG 22 HB2 ARG 22 -8.646 4.637 -9.224 184 2HB ARG 22 HB1 ARG 22 -10.022 5.524 -8.569 185 1HG ARG 22 HG2 ARG 22 -8.518 6.718 -7.016 186 2HG ARG 22 HG1 ARG 22 -7.140 5.835 -7.674 187 1HD ARG 22 HD2 ARG 22 -8.334 8.234 -8.669 188 2HD ARG 22 HD1 ARG 22 -6.950 7.354 -9.319 189 HE ARG 22 HE ARG 22 -8.708 5.937 -10.546 190 1HH1 ARG 22 HH11 ARG 22 -10.992 7.511 -9.245 191 2HH1 ARG 22 HH12 ARG 22 -11.433 8.574 -10.539 192 1HH2 ARG 22 HH21 ARG 22 -8.520 8.023 -12.339 193 2HH2 ARG 22 HH22 ARG 22 -10.033 8.864 -12.291 194 H ASN 23 HN ASN 23 -10.707 2.878 -8.840 195 HA ASN 23 HA ASN 23 -13.267 3.545 -7.745 196 1HB ASN 23 HB2 ASN 23 -12.214 2.369 -10.028 197 2HB ASN 23 HB1 ASN 23 -13.091 1.074 -9.259 198 1HD2 ASN 23 HD22 ASN 23 -16.189 2.325 -10.363 199 2HD2 ASN 23 HD21 ASN 23 -15.250 0.983 -9.918 200 H LEU 24 HN LEU 24 -11.513 0.468 -7.899 201 HA LEU 24 HA LEU 24 -13.076 -1.221 -6.427 202 1HB LEU 24 HB2 LEU 24 -10.691 -1.528 -7.411 203 2HB LEU 24 HB1 LEU 24 -10.139 -0.988 -5.841 204 HG LEU 24 HG LEU 24 -12.159 -3.093 -5.585 205 1HD1 LEU 24 HD11 LEU 24 -9.686 -3.646 -7.243 206 2HD1 LEU 24 HD13 LEU 24 -10.648 -4.907 -6.471 207 3HD1 LEU 24 HD12 LEU 24 -11.366 -3.890 -7.721 208 1HD2 LEU 24 HD23 LEU 24 -9.333 -2.617 -4.652 209 2HD2 LEU 24 HD22 LEU 24 -10.799 -2.808 -3.700 210 3HD2 LEU 24 HD21 LEU 24 -10.062 -4.202 -4.478 211 H LEU 25 HN LEU 25 -10.611 0.911 -4.897 212 HA LEU 25 HA LEU 25 -11.345 0.397 -2.204 213 1HB LEU 25 HB2 LEU 25 -9.981 2.632 -3.637 214 2HB LEU 25 HB1 LEU 25 -10.584 2.969 -2.016 215 HG LEU 25 HG LEU 25 -9.027 0.448 -2.472 216 1HD1 LEU 25 HD11 LEU 25 -7.969 3.252 -2.531 217 2HD1 LEU 25 HD13 LEU 25 -7.021 2.006 -1.719 218 3HD1 LEU 25 HD12 LEU 25 -7.426 1.832 -3.426 219 1HD2 LEU 25 HD22 LEU 25 -10.117 0.933 -0.292 220 2HD2 LEU 25 HD21 LEU 25 -8.361 0.890 -0.141 221 3HD2 LEU 25 HD23 LEU 25 -9.205 2.438 -0.183 222 H LYS 26 HN LYS 26 -12.485 3.009 -4.374 223 HA LYS 26 HA LYS 26 -14.301 4.253 -2.684 224 1HB LYS 26 HB2 LYS 26 -13.732 4.547 -5.293 225 2HB LYS 26 HB1 LYS 26 -15.261 3.681 -5.446 226 1HG LYS 26 HG2 LYS 26 -16.355 5.350 -3.992 227 2HG LYS 26 HG1 LYS 26 -14.828 6.221 -3.844 228 1HD LYS 26 HD2 LYS 26 -14.883 6.972 -6.043 229 2HD LYS 26 HD1 LYS 26 -15.892 5.631 -6.584 230 1HE LYS 26 HE2 LYS 26 -17.009 7.955 -6.387 231 2HE LYS 26 HE1 LYS 26 -17.854 6.582 -5.673 232 1HZ LYS 26 HZ1 LYS 26 -16.054 7.614 -3.787 233 2HZ LYS 26 HZ3 LYS 26 -16.965 8.904 -4.405 234 3HZ LYS 26 HZ2 LYS 26 -17.751 7.567 -3.712 235 H GLU 27 HN GLU 27 -14.732 1.248 -4.512 236 HA GLU 27 HA GLU 27 -17.459 0.815 -3.899 237 1HB GLU 27 HB2 GLU 27 -15.552 -0.540 -5.333 238 2HB GLU 27 HB1 GLU 27 -15.781 -1.603 -3.945 239 1HG GLU 27 HG2 GLU 27 -18.235 -1.554 -4.339 240 2HG GLU 27 HG1 GLU 27 -17.965 -0.558 -5.770 241 H LEU 28 HN LEU 28 -14.518 0.183 -2.070 242 HA LEU 28 HA LEU 28 -15.935 -1.274 0.037 243 1HB LEU 28 HB2 LEU 28 -13.157 -0.611 -0.632 244 2HB LEU 28 HB1 LEU 28 -13.491 -0.478 1.094 245 HG LEU 28 HG LEU 28 -12.739 -2.767 0.396 246 1HD1 LEU 28 HD13 LEU 28 -14.961 -2.033 2.030 247 2HD1 LEU 28 HD12 LEU 28 -15.371 -3.542 1.215 248 3HD1 LEU 28 HD11 LEU 28 -13.909 -3.439 2.194 249 1HD2 LEU 28 HD21 LEU 28 -14.392 -2.360 -1.761 250 2HD2 LEU 28 HD23 LEU 28 -13.768 -3.933 -1.263 251 3HD2 LEU 28 HD22 LEU 28 -15.376 -3.420 -0.751 252 H GLY 29 HN GLY 29 -16.054 1.861 -0.818 253 1HA GLY 29 HA2 GLY 29 -17.043 3.633 0.391 254 2HA GLY 29 HA1 GLY 29 -16.860 2.675 1.851 255 H PHE 30 HN PHE 30 -14.693 4.196 -0.569 256 HA PHE 30 HA PHE 30 -13.279 5.533 1.673 257 1HB PHE 30 HB2 PHE 30 -12.005 3.604 -0.281 258 2HB PHE 30 HB1 PHE 30 -11.067 4.875 0.493 259 HD1 PHE 30 HD2 PHE 30 -11.495 5.086 3.114 260 HD2 PHE 30 HD1 PHE 30 -12.116 1.532 0.790 261 HE1 PHE 30 HE2 PHE 30 -11.282 3.709 5.167 262 HE2 PHE 30 HE1 PHE 30 -11.910 0.153 2.841 263 HZ PHE 30 HZ PHE 30 -11.495 1.241 5.030 264 H ASN 31 HN ASN 31 -12.936 7.628 1.131 265 HA ASN 31 HA ASN 31 -12.673 8.339 -1.762 266 1HB ASN 31 HB2 ASN 31 -15.005 8.766 -0.763 267 2HB ASN 31 HB1 ASN 31 -14.231 10.023 0.203 268 1HD2 ASN 31 HD22 ASN 31 -14.151 10.545 -3.886 269 2HD2 ASN 31 HD21 ASN 31 -13.982 8.978 -3.255 270 H ASN 32 HN ASN 32 -10.360 8.195 -0.712 271 HA ASN 32 HA ASN 32 -9.368 10.885 -0.480 272 1HB ASN 32 HB2 ASN 32 -10.390 10.374 1.854 273 2HB ASN 32 HB1 ASN 32 -9.012 9.290 2.057 274 1HD2 ASN 32 HD22 ASN 32 -8.250 12.907 3.122 275 2HD2 ASN 32 HD21 ASN 32 -9.626 11.956 3.408 276 H VAL 33 HN VAL 33 -8.007 10.026 -2.138 277 HA VAL 33 HA VAL 33 -5.815 8.276 -1.111 278 HB VAL 33 HB VAL 33 -7.183 8.044 -3.810 279 1HG1 VAL 33 HG13 VAL 33 -4.948 6.414 -2.564 280 2HG1 VAL 33 HG12 VAL 33 -5.735 6.061 -4.099 281 3HG1 VAL 33 HG11 VAL 33 -4.778 7.528 -3.919 282 1HG2 VAL 33 HG23 VAL 33 -7.640 6.776 -1.211 283 2HG2 VAL 33 HG22 VAL 33 -8.656 6.784 -2.649 284 3HG2 VAL 33 HG21 VAL 33 -7.351 5.608 -2.499 285 H GLU 34 HN GLU 34 -3.750 8.660 -2.098 286 HA GLU 34 HA GLU 34 -3.630 11.141 -3.774 287 1HB GLU 34 HB2 GLU 34 -2.127 10.297 -1.356 288 2HB GLU 34 HB1 GLU 34 -1.164 11.020 -2.647 289 1HG GLU 34 HG2 GLU 34 -3.734 12.322 -1.776 290 2HG GLU 34 HG1 GLU 34 -2.260 12.584 -0.851 291 H GLU 35 HN GLU 35 -1.165 11.012 -4.826 292 HA GLU 35 HA GLU 35 -0.653 8.227 -5.680 293 1HB GLU 35 HB2 GLU 35 -2.446 9.382 -7.174 294 2HB GLU 35 HB1 GLU 35 -1.087 10.306 -7.813 295 1HG GLU 35 HG2 GLU 35 -0.066 7.773 -7.887 296 2HG GLU 35 HG1 GLU 35 -1.773 7.458 -8.199 297 H ALA 36 HN ALA 36 1.341 7.970 -6.790 298 HA ALA 36 HA ALA 36 3.136 10.315 -6.983 299 1HB ALA 36 HB1 ALA 36 3.197 8.601 -4.744 300 2HB ALA 36 HB3 ALA 36 4.563 8.125 -5.751 301 3HB ALA 36 HB2 ALA 36 4.410 9.791 -5.200 302 H GLU 37 HN GLU 37 5.476 8.897 -7.517 303 HA GLU 37 HA GLU 37 4.720 7.008 -9.702 304 1HB GLU 37 HB2 GLU 37 6.708 9.266 -10.037 305 2HB GLU 37 HB1 GLU 37 6.175 8.129 -11.275 306 1HG GLU 37 HG2 GLU 37 3.773 9.061 -10.568 307 2HG GLU 37 HG1 GLU 37 4.733 10.466 -10.101 308 H ASP 38 HN ASP 38 6.653 7.626 -7.015 309 HA ASP 38 HA ASP 38 8.108 5.186 -7.313 310 1HB ASP 38 HB2 ASP 38 10.396 6.679 -7.358 311 2HB ASP 38 HB1 ASP 38 9.696 5.905 -8.779 312 H GLY 39 HN GLY 39 10.175 5.362 -5.696 313 1HA GLY 39 HA2 GLY 39 9.053 5.891 -3.124 314 2HA GLY 39 HA1 GLY 39 10.759 5.567 -3.433 315 H VAL 40 HN VAL 40 11.593 7.673 -4.930 316 HA VAL 40 HA VAL 40 11.972 9.759 -3.086 317 HB VAL 40 HB VAL 40 13.342 9.565 -5.107 318 1HG1 VAL 40 HG12 VAL 40 11.475 8.788 -6.580 319 2HG1 VAL 40 HG11 VAL 40 10.860 10.441 -6.612 320 3HG1 VAL 40 HG13 VAL 40 12.438 10.073 -7.309 321 1HG2 VAL 40 HG23 VAL 40 12.772 11.848 -3.968 322 2HG2 VAL 40 HG22 VAL 40 13.572 11.865 -5.539 323 3HG2 VAL 40 HG21 VAL 40 11.836 12.155 -5.431 324 H ASP 41 HN ASP 41 9.347 9.173 -5.339 325 HA ASP 41 HA ASP 41 8.106 11.777 -4.996 326 1HB ASP 41 HB2 ASP 41 7.806 9.995 -6.894 327 2HB ASP 41 HB1 ASP 41 6.619 9.295 -5.801 328 H ALA 42 HN ALA 42 7.476 8.499 -3.699 329 HA ALA 42 HA ALA 42 5.272 9.212 -2.055 330 1HB ALA 42 HB3 ALA 42 6.079 6.874 -2.560 331 2HB ALA 42 HB2 ALA 42 7.391 7.150 -1.419 332 3HB ALA 42 HB1 ALA 42 5.718 7.160 -0.858 333 H LEU 43 HN LEU 43 8.762 9.091 -1.280 334 HA LEU 43 HA LEU 43 8.577 9.891 1.419 335 1HB LEU 43 HB2 LEU 43 10.640 9.256 -0.211 336 2HB LEU 43 HB1 LEU 43 10.822 11.007 -0.190 337 HG LEU 43 HG LEU 43 12.167 10.070 1.598 338 1HD1 LEU 43 HD12 LEU 43 10.652 12.165 1.942 339 2HD1 LEU 43 HD11 LEU 43 9.734 11.118 3.024 340 3HD1 LEU 43 HD13 LEU 43 11.437 11.443 3.345 341 1HD2 LEU 43 HD22 LEU 43 10.112 8.159 1.771 342 2HD2 LEU 43 HD21 LEU 43 11.542 8.264 2.795 343 3HD2 LEU 43 HD23 LEU 43 10.042 9.044 3.294 344 H ASN 44 HN ASN 44 8.679 11.891 -1.529 345 HA ASN 44 HA ASN 44 8.645 14.371 0.029 346 1HB ASN 44 HB2 ASN 44 8.826 13.604 -2.815 347 2HB ASN 44 HB1 ASN 44 7.956 15.109 -2.515 348 1HD2 ASN 44 HD22 ASN 44 11.860 15.378 -2.559 349 2HD2 ASN 44 HD21 ASN 44 10.900 14.293 -3.444 350 H LYS 45 HN LYS 45 6.253 12.257 -1.417 351 HA LYS 45 HA LYS 45 4.151 14.315 -1.194 352 1HB LYS 45 HB2 LYS 45 4.365 11.594 -2.381 353 2HB LYS 45 HB1 LYS 45 2.767 12.111 -1.847 354 1HG LYS 45 HG2 LYS 45 4.418 14.007 -3.483 355 2HG LYS 45 HG1 LYS 45 3.606 12.670 -4.295 356 1HD LYS 45 HD2 LYS 45 1.450 13.375 -3.422 357 2HD LYS 45 HD1 LYS 45 2.213 14.635 -2.453 358 1HE LYS 45 HE2 LYS 45 2.712 14.609 -5.404 359 2HE LYS 45 HE1 LYS 45 1.158 15.205 -4.819 360 1HZ LYS 45 HZ2 LYS 45 3.539 16.171 -3.446 361 2HZ LYS 45 HZ1 LYS 45 3.290 16.745 -5.026 362 3HZ LYS 45 HZ3 LYS 45 2.103 16.989 -3.839 363 H LEU 46 HN LEU 46 5.317 11.603 0.715 364 HA LEU 46 HA LEU 46 2.811 11.422 2.196 365 1HB LEU 46 HB2 LEU 46 5.228 9.857 2.046 366 2HB LEU 46 HB1 LEU 46 4.870 10.213 3.732 367 HG LEU 46 HG LEU 46 2.767 9.217 1.815 368 1HD1 LEU 46 HD12 LEU 46 4.665 7.590 2.006 369 2HD1 LEU 46 HD11 LEU 46 4.268 7.463 3.721 370 3HD1 LEU 46 HD13 LEU 46 3.085 6.988 2.503 371 1HD2 LEU 46 HD23 LEU 46 2.972 9.525 4.799 372 2HD2 LEU 46 HD22 LEU 46 1.699 10.093 3.726 373 3HD2 LEU 46 HD21 LEU 46 1.841 8.378 4.097 374 H GLN 47 HN GLN 47 5.570 13.449 2.363 375 HA GLN 47 HA GLN 47 5.523 14.032 5.173 376 1HB GLN 47 HB2 GLN 47 6.279 16.398 4.237 377 2HB GLN 47 HB1 GLN 47 7.365 15.013 4.124 378 1HG GLN 47 HG2 GLN 47 7.046 14.768 1.849 379 2HG GLN 47 HG1 GLN 47 5.424 15.461 1.895 380 1HE2 GLN 47 HE22 GLN 47 6.576 18.675 1.061 381 2HE2 GLN 47 HE21 GLN 47 5.279 17.584 1.148 382 H ALA 48 HN ALA 48 3.197 14.299 2.828 383 HA ALA 48 HA ALA 48 1.888 16.727 3.232 384 1HB ALA 48 HB1 ALA 48 0.690 13.983 2.773 385 2HB ALA 48 HB3 ALA 48 -0.185 15.503 2.587 386 3HB ALA 48 HB2 ALA 48 1.176 15.134 1.528 387 H GLY 49 HN GLY 49 0.535 13.751 4.715 388 1HA GLY 49 HA2 GLY 49 0.456 15.166 7.332 389 2HA GLY 49 HA1 GLY 49 -1.084 14.689 6.622 390 H GLY 50 HN GLY 50 1.408 12.502 5.839 391 1HA GLY 50 HA2 GLY 50 1.983 10.389 6.727 392 2HA GLY 50 HA1 GLY 50 1.256 10.888 8.255 393 OH TYR 51 OH TYR 51 -0.161 11.956 -0.073 394 H TYR 51 HN TYR 51 0.572 9.530 5.085 395 HA TYR 51 HA TYR 51 -2.231 9.251 5.308 396 1HB TYR 51 HB2 TYR 51 -0.260 7.373 3.991 397 2HB TYR 51 HB1 TYR 51 -1.971 7.437 3.658 398 HD1 TYR 51 HD1 TYR 51 -2.519 10.360 3.457 399 HD2 TYR 51 HD2 TYR 51 0.809 8.049 2.058 400 HE1 TYR 51 HE1 TYR 51 -2.098 12.043 1.716 401 HE2 TYR 51 HE2 TYR 51 1.223 9.756 0.296 402 HH TYR 51 HH TYR 51 -0.427 12.811 0.272 403 H GLY 52 HN GLY 52 -3.491 7.361 5.808 404 1HA GLY 52 HA2 GLY 52 -2.427 5.910 8.153 405 2HA GLY 52 HA1 GLY 52 -4.112 5.947 7.643 406 H PHE 53 HN PHE 53 -2.701 5.536 4.827 407 HA PHE 53 HA PHE 53 -2.042 2.660 5.018 408 1HB PHE 53 HB2 PHE 53 -4.659 3.534 4.519 409 2HB PHE 53 HB1 PHE 53 -4.017 3.116 2.936 410 HD1 PHE 53 HD1 PHE 53 -4.381 1.799 6.424 411 HD2 PHE 53 HD2 PHE 53 -3.865 0.870 2.277 412 HE1 PHE 53 HE1 PHE 53 -4.787 -0.577 6.901 413 HE2 PHE 53 HE2 PHE 53 -4.290 -1.495 2.739 414 HZ PHE 53 HZ PHE 53 -4.734 -2.250 5.064 415 H VAL 54 HN VAL 54 -0.670 2.066 3.297 416 HA VAL 54 HA VAL 54 -0.402 4.021 1.047 417 HB VAL 54 HB VAL 54 1.960 2.782 2.472 418 1HG1 VAL 54 HG12 VAL 54 1.667 3.956 -0.065 419 2HG1 VAL 54 HG11 VAL 54 2.399 5.207 0.941 420 3HG1 VAL 54 HG13 VAL 54 3.182 3.635 0.778 421 1HG2 VAL 54 HG21 VAL 54 0.729 4.411 3.914 422 2HG2 VAL 54 HG23 VAL 54 2.328 4.993 3.454 423 3HG2 VAL 54 HG22 VAL 54 0.894 5.619 2.640 424 H ILE 55 HN ILE 55 -0.684 2.994 -0.803 425 HA ILE 55 HA ILE 55 -0.123 0.066 -0.972 426 HB ILE 55 HB ILE 55 -1.703 1.832 -2.873 427 1HG1 ILE 55 HG12 ILE 55 -2.649 0.032 -0.619 428 2HG1 ILE 55 HG11 ILE 55 -2.772 1.792 -0.662 429 1HG2 ILE 55 HG23 ILE 55 -0.744 -0.349 -3.734 430 2HG2 ILE 55 HG22 ILE 55 -1.732 -1.175 -2.529 431 3HG2 ILE 55 HG21 ILE 55 -2.501 -0.238 -3.809 432 1HD1 ILE 55 HD13 ILE 55 -4.125 1.537 -2.797 433 2HD1 ILE 55 HD12 ILE 55 -4.172 -0.195 -2.468 434 3HD1 ILE 55 HD11 ILE 55 -4.914 0.937 -1.339 435 H SER 56 HN SER 56 1.630 -0.564 -2.189 436 HA SER 56 HA SER 56 2.586 1.208 -4.368 437 1HB SER 56 HB2 SER 56 4.831 1.331 -3.547 438 2HB SER 56 HB1 SER 56 3.794 1.789 -2.199 439 HG SER 56 HG SER 56 4.080 -0.866 -2.231 440 H ASP 57 HN ASP 57 3.727 0.066 -5.986 441 HA ASP 57 HA ASP 57 3.116 -2.719 -6.254 442 1HB ASP 57 HB2 ASP 57 3.603 -1.082 -8.135 443 2HB ASP 57 HB1 ASP 57 5.311 -1.229 -7.717 444 CH2 TRP 58 CH2 TRP 58 9.169 -6.503 -0.660 445 H TRP 58 HN TRP 58 6.272 -2.671 -7.194 446 HA TRP 58 HA TRP 58 7.545 -3.208 -4.625 447 1HB TRP 58 HB2 TRP 58 6.225 -5.302 -5.034 448 2HB TRP 58 HB1 TRP 58 7.138 -5.536 -6.526 449 HD1 TRP 58 HD1 TRP 58 9.631 -6.321 -6.344 450 HE1 TRP 58 HE1 TRP 58 11.065 -7.196 -4.388 451 HE3 TRP 58 HE3 TRP 58 6.618 -5.074 -2.416 452 HZ2 TRP 58 HZ2 TRP 58 10.949 -7.343 -1.530 453 HZ3 TRP 58 HZ3 TRP 58 7.301 -5.594 -0.091 454 HH2 TRP 58 HH2 TRP 58 9.461 -6.728 0.355 455 H ASN 59 HN ASN 59 7.623 -3.185 -8.136 456 HA ASN 59 HA ASN 59 10.332 -2.145 -8.110 457 1HB ASN 59 HB2 ASN 59 11.459 -3.959 -9.223 458 2HB ASN 59 HB1 ASN 59 10.680 -4.633 -7.791 459 1HD2 ASN 59 HD22 ASN 59 8.428 -6.658 -9.637 460 2HD2 ASN 59 HD21 ASN 59 8.849 -6.061 -8.105 461 H MET 60 HN MET 60 7.722 -1.401 -9.184 462 HA MET 60 HA MET 60 8.000 -1.806 -12.081 463 1HB MET 60 HB2 MET 60 5.775 -1.678 -10.631 464 2HB MET 60 HB1 MET 60 5.946 0.047 -10.929 465 1HG MET 60 HG2 MET 60 4.854 -0.363 -12.862 466 2HG MET 60 HG1 MET 60 6.386 -1.003 -13.443 467 1HE MET 60 HE3 MET 60 7.057 -3.218 -13.690 468 2HE MET 60 HE2 MET 60 6.850 -3.835 -12.052 469 3HE MET 60 HE1 MET 60 6.139 -4.703 -13.408 470 HA PRO 61 HA PRO 61 8.675 2.960 -11.678 471 1HB PRO 61 HB2 PRO 61 10.107 3.451 -9.231 472 2HB PRO 61 HB1 PRO 61 8.523 4.079 -9.707 473 1HG PRO 61 HG2 PRO 61 9.042 2.156 -7.673 474 2HG PRO 61 HG1 PRO 61 7.458 2.634 -8.299 475 1HD PRO 61 HD2 PRO 61 8.973 0.178 -8.789 476 2HD PRO 61 HD1 PRO 61 7.265 0.515 -9.131 477 H ASN 62 HN ASN 62 11.207 1.714 -9.481 478 HA ASN 62 HA ASN 62 13.062 1.316 -11.730 479 1HB ASN 62 HB2 ASN 62 14.626 2.901 -10.088 480 2HB ASN 62 HB1 ASN 62 13.880 3.428 -11.598 481 1HD2 ASN 62 HD22 ASN 62 11.956 4.400 -8.083 482 2HD2 ASN 62 HD21 ASN 62 12.858 2.965 -8.156 483 H MET 63 HN MET 63 13.811 2.088 -8.345 484 HA MET 63 HA MET 63 15.285 -0.407 -8.059 485 1HB MET 63 HB2 MET 63 14.489 1.609 -5.936 486 2HB MET 63 HB1 MET 63 15.734 0.369 -5.784 487 1HG MET 63 HG2 MET 63 17.070 2.143 -6.402 488 2HG MET 63 HG1 MET 63 16.641 1.547 -8.005 489 1HE MET 63 HE3 MET 63 16.656 4.271 -5.516 490 2HE MET 63 HE2 MET 63 15.288 5.328 -5.857 491 3HE MET 63 HE1 MET 63 15.011 3.750 -5.127 492 H ASP 64 HN ASP 64 13.695 0.177 -5.168 493 HA ASP 64 HA ASP 64 11.444 -1.661 -5.775 494 1HB ASP 64 HB2 ASP 64 12.310 -3.410 -4.649 495 2HB ASP 64 HB1 ASP 64 13.838 -2.534 -4.574 496 H GLY 65 HN GLY 65 10.211 -1.910 -3.427 497 1HA GLY 65 HA2 GLY 65 9.679 0.898 -2.685 498 2HA GLY 65 HA1 GLY 65 8.642 -0.460 -2.308 499 H LEU 66 HN LEU 66 11.290 -1.861 -1.322 500 HA LEU 66 HA LEU 66 10.893 -1.608 1.418 501 1HB LEU 66 HB2 LEU 66 13.105 -2.539 -0.262 502 2HB LEU 66 HB1 LEU 66 13.655 -1.885 1.274 503 HG LEU 66 HG LEU 66 13.158 -4.334 1.369 504 1HD1 LEU 66 HD11 LEU 66 12.319 -2.278 3.154 505 2HD1 LEU 66 HD13 LEU 66 11.075 -3.529 3.167 506 3HD1 LEU 66 HD12 LEU 66 12.747 -3.944 3.543 507 1HD2 LEU 66 HD23 LEU 66 10.934 -3.635 -0.139 508 2HD2 LEU 66 HD22 LEU 66 11.201 -5.195 0.635 509 3HD2 LEU 66 HD21 LEU 66 10.255 -3.954 1.457 510 H GLU 67 HN GLU 67 13.677 0.011 -0.155 511 HA GLU 67 HA GLU 67 14.395 1.741 1.876 512 1HB GLU 67 HB2 GLU 67 15.637 1.665 -0.218 513 2HB GLU 67 HB1 GLU 67 14.264 2.328 -1.100 514 1HG GLU 67 HG2 GLU 67 16.038 4.028 -0.591 515 2HG GLU 67 HG1 GLU 67 14.462 4.449 0.074 516 H LEU 68 HN LEU 68 11.770 2.209 -0.455 517 HA LEU 68 HA LEU 68 10.982 4.816 0.411 518 1HB LEU 68 HB2 LEU 68 9.862 4.415 -1.520 519 2HB LEU 68 HB1 LEU 68 9.993 2.686 -1.319 520 HG LEU 68 HG LEU 68 8.023 2.680 0.157 521 1HD1 LEU 68 HD13 LEU 68 8.568 5.540 0.190 522 2HD1 LEU 68 HD12 LEU 68 6.900 5.212 -0.286 523 3HD1 LEU 68 HD11 LEU 68 7.511 4.597 1.241 524 1HD2 LEU 68 HD23 LEU 68 7.755 2.505 -2.312 525 2HD2 LEU 68 HD22 LEU 68 6.362 3.263 -1.541 526 3HD2 LEU 68 HD21 LEU 68 7.546 4.254 -2.391 527 H LEU 69 HN LEU 69 9.961 1.566 1.424 528 HA LEU 69 HA LEU 69 8.121 2.633 3.430 529 1HB LEU 69 HB2 LEU 69 7.830 0.453 2.165 530 2HB LEU 69 HB1 LEU 69 9.143 -0.203 3.128 531 HG LEU 69 HG LEU 69 6.999 1.127 4.688 532 1HD1 LEU 69 HD12 LEU 69 6.530 -1.323 2.996 533 2HD1 LEU 69 HD11 LEU 69 5.557 -0.940 4.417 534 3HD1 LEU 69 HD13 LEU 69 5.588 0.165 3.043 535 1HD2 LEU 69 HD21 LEU 69 9.044 -0.544 5.316 536 2HD2 LEU 69 HD23 LEU 69 7.570 -0.420 6.258 537 3HD2 LEU 69 HD22 LEU 69 7.746 -1.715 5.079 538 H LYS 70 HN LYS 70 10.914 0.439 3.684 539 HA LYS 70 HA LYS 70 11.476 0.358 6.330 540 1HB LYS 70 HB2 LYS 70 13.025 0.083 3.988 541 2HB LYS 70 HB1 LYS 70 13.933 1.180 5.025 542 1HG LYS 70 HG2 LYS 70 12.821 -1.487 5.954 543 2HG LYS 70 HG1 LYS 70 14.473 -1.252 5.390 544 1HD LYS 70 HD2 LYS 70 13.445 0.563 7.544 545 2HD LYS 70 HD1 LYS 70 13.891 -1.085 7.975 546 1HE LYS 70 HE2 LYS 70 16.127 -0.761 7.469 547 2HE LYS 70 HE1 LYS 70 15.785 0.502 6.286 548 1HZ LYS 70 HZ1 LYS 70 15.482 0.773 9.229 549 2HZ LYS 70 HZ3 LYS 70 16.762 1.404 8.311 550 3HZ LYS 70 HZ2 LYS 70 15.184 1.990 8.081 551 H THR 71 HN THR 71 12.153 3.205 4.290 552 HA THR 71 HA THR 71 13.420 4.790 6.287 553 HB THR 71 HB THR 71 11.688 5.570 3.925 554 HG1 THR 71 HG1 THR 71 14.322 4.959 4.365 555 1HG2 THR 71 HG21 THR 71 12.930 7.192 6.079 556 2HG2 THR 71 HG23 THR 71 13.158 7.778 4.432 557 3HG2 THR 71 HG22 THR 71 11.529 7.546 5.067 558 H ILE 72 HN ILE 72 9.979 4.538 5.374 559 HA ILE 72 HA ILE 72 8.881 6.371 7.191 560 HB ILE 72 HB ILE 72 7.720 3.645 6.545 561 1HG1 ILE 72 HG12 ILE 72 7.408 6.250 5.016 562 2HG1 ILE 72 HG11 ILE 72 8.454 4.925 4.507 563 1HG2 ILE 72 HG22 ILE 72 6.813 5.754 8.175 564 2HG2 ILE 72 HG21 ILE 72 5.883 5.882 6.682 565 3HG2 ILE 72 HG23 ILE 72 5.871 4.377 7.602 566 1HD1 ILE 72 HD11 ILE 72 6.325 3.449 4.693 567 2HD1 ILE 72 HD13 ILE 72 5.444 4.976 4.690 568 3HD1 ILE 72 HD12 ILE 72 6.454 4.538 3.315 569 NH1 ARG 73 NH1 ARG 73 12.469 -2.234 13.422 570 NH2 ARG 73 NH2 ARG 73 11.995 -3.500 11.611 571 H ARG 73 HN ARG 73 9.742 2.953 7.726 572 HA ARG 73 HA ARG 73 8.915 2.881 10.476 573 1HB ARG 73 HB2 ARG 73 9.240 0.752 9.585 574 2HB ARG 73 HB1 ARG 73 10.728 1.213 8.761 575 1HG ARG 73 HG2 ARG 73 12.002 1.121 10.746 576 2HG ARG 73 HG1 ARG 73 10.568 1.205 11.773 577 1HD ARG 73 HD2 ARG 73 10.110 -1.031 11.549 578 2HD ARG 73 HD1 ARG 73 10.729 -1.096 9.899 579 HE ARG 73 HE ARG 73 13.045 -0.805 11.174 580 1HH1 ARG 73 HH11 ARG 73 12.645 -1.339 13.832 581 2HH1 ARG 73 HH12 ARG 73 12.482 -3.056 13.992 582 1HH2 ARG 73 HH21 ARG 73 11.808 -3.574 10.631 583 2HH2 ARG 73 HH22 ARG 73 12.009 -4.321 12.181 584 H ALA 74 HN ALA 74 11.996 3.691 8.910 585 HA ALA 74 HA ALA 74 13.734 3.820 11.068 586 1HB ALA 74 HB1 ALA 74 14.170 4.474 8.625 587 2HB ALA 74 HB3 ALA 74 13.546 6.066 9.054 588 3HB ALA 74 HB2 ALA 74 14.989 5.440 9.852 589 H ASP 75 HN ASP 75 10.989 5.882 10.412 590 HA ASP 75 HA ASP 75 11.692 8.020 12.207 591 1HB ASP 75 HB2 ASP 75 8.945 7.055 11.349 592 2HB ASP 75 HB1 ASP 75 9.304 8.615 12.089 593 H GLY 76 HN GLY 76 8.771 7.384 13.404 594 1HA GLY 76 HA2 GLY 76 8.937 5.218 15.167 595 2HA GLY 76 HA1 GLY 76 9.774 6.542 15.979 596 H ALA 77 HN ALA 77 7.374 5.426 16.989 597 HA ALA 77 HA ALA 77 5.391 6.247 17.955 598 1HB ALA 77 HB1 ALA 77 6.846 8.509 17.577 599 2HB ALA 77 HB3 ALA 77 5.481 8.836 16.509 600 3HB ALA 77 HB2 ALA 77 5.204 8.512 18.221 601 H MET 78 HN MET 78 6.044 6.167 14.607 602 HA MET 78 HA MET 78 3.172 5.687 14.071 603 1HB MET 78 HB2 MET 78 4.753 7.977 13.038 604 2HB MET 78 HB1 MET 78 3.778 7.119 11.845 605 1HG MET 78 HG2 MET 78 2.683 8.094 14.494 606 2HG MET 78 HG1 MET 78 2.581 9.025 13.000 607 1HE MET 78 HE2 MET 78 0.226 8.902 14.164 608 2HE MET 78 HE1 MET 78 -0.096 9.055 12.439 609 3HE MET 78 HE3 MET 78 -1.020 7.906 13.417 610 H SER 79 HN SER 79 5.970 4.323 14.069 611 HA SER 79 HA SER 79 6.484 3.570 11.332 612 1HB SER 79 HB2 SER 79 7.271 2.434 14.011 613 2HB SER 79 HB1 SER 79 7.663 1.579 12.522 614 HG SER 79 HG SER 79 8.211 4.268 12.460 615 H ALA 80 HN ALA 80 3.756 3.091 12.978 616 HA ALA 80 HA ALA 80 3.365 0.241 12.262 617 1HB ALA 80 HB3 ALA 80 2.530 1.474 14.439 618 2HB ALA 80 HB2 ALA 80 1.205 1.989 13.396 619 3HB ALA 80 HB1 ALA 80 1.502 0.271 13.661 620 H LEU 81 HN LEU 81 3.255 3.070 10.623 621 HA LEU 81 HA LEU 81 0.849 3.398 9.346 622 1HB LEU 81 HB2 LEU 81 3.493 4.110 8.818 623 2HB LEU 81 HB1 LEU 81 2.975 3.261 7.365 624 HG LEU 81 HG LEU 81 2.460 5.627 7.125 625 1HD1 LEU 81 HD13 LEU 81 0.640 3.559 6.808 626 2HD1 LEU 81 HD12 LEU 81 -0.281 4.774 7.694 627 3HD1 LEU 81 HD11 LEU 81 0.470 5.186 6.152 628 1HD2 LEU 81 HD23 LEU 81 1.891 5.434 9.904 629 2HD2 LEU 81 HD22 LEU 81 1.861 6.880 8.897 630 3HD2 LEU 81 HD21 LEU 81 0.396 5.921 9.106 631 HA PRO 82 HA PRO 82 0.428 -0.929 7.900 632 1HB PRO 82 HB2 PRO 82 -2.134 -0.272 6.779 633 2HB PRO 82 HB1 PRO 82 -1.794 -1.260 8.195 634 1HG PRO 82 HG2 PRO 82 -2.930 1.365 8.165 635 2HG PRO 82 HG1 PRO 82 -2.476 0.416 9.583 636 1HD PRO 82 HD2 PRO 82 -1.154 2.744 8.476 637 2HD PRO 82 HD1 PRO 82 -0.775 1.868 9.973 638 H VAL 83 HN VAL 83 0.994 -1.720 5.928 639 HA VAL 83 HA VAL 83 0.601 0.008 3.516 640 HB VAL 83 HB VAL 83 3.086 -1.407 4.486 641 1HG1 VAL 83 HG11 VAL 83 2.166 -0.980 1.632 642 2HG1 VAL 83 HG13 VAL 83 3.879 -0.943 2.021 643 3HG1 VAL 83 HG12 VAL 83 2.946 -2.395 2.344 644 1HG2 VAL 83 HG23 VAL 83 2.288 1.290 4.240 645 2HG2 VAL 83 HG22 VAL 83 3.907 0.695 4.566 646 3HG2 VAL 83 HG21 VAL 83 3.407 1.011 2.907 647 H LEU 84 HN LEU 84 -0.364 -1.037 1.908 648 HA LEU 84 HA LEU 84 -0.355 -4.006 2.020 649 1HB LEU 84 HB2 LEU 84 -2.599 -2.927 2.206 650 2HB LEU 84 HB1 LEU 84 -2.347 -2.232 0.607 651 HG LEU 84 HG LEU 84 -2.022 -4.547 -0.290 652 1HD1 LEU 84 HD13 LEU 84 -2.430 -5.184 2.595 653 2HD1 LEU 84 HD12 LEU 84 -3.201 -6.253 1.427 654 3HD1 LEU 84 HD11 LEU 84 -1.456 -6.014 1.384 655 1HD2 LEU 84 HD23 LEU 84 -4.446 -3.310 0.686 656 2HD2 LEU 84 HD22 LEU 84 -4.164 -4.194 -0.813 657 3HD2 LEU 84 HD21 LEU 84 -4.603 -5.067 0.656 658 H MET 85 HN MET 85 1.830 -3.671 0.998 659 HA MET 85 HA MET 85 2.166 -2.530 -1.558 660 1HB MET 85 HB2 MET 85 3.590 -4.583 0.053 661 2HB MET 85 HB1 MET 85 3.903 -4.613 -1.682 662 1HG MET 85 HG2 MET 85 4.799 -2.449 -1.692 663 2HG MET 85 HG1 MET 85 3.986 -2.001 -0.192 664 1HE MET 85 HE2 MET 85 6.576 -1.155 -0.711 665 2HE MET 85 HE1 MET 85 7.905 -1.859 0.206 666 3HE MET 85 HE3 MET 85 7.521 -2.467 -1.410 667 H VAL 86 HN VAL 86 1.946 -3.357 -3.635 668 HA VAL 86 HA VAL 86 0.213 -5.783 -3.869 669 HB VAL 86 HB VAL 86 0.478 -3.489 -5.824 670 1HG1 VAL 86 HG12 VAL 86 -1.491 -5.748 -5.447 671 2HG1 VAL 86 HG11 VAL 86 -1.799 -4.367 -6.498 672 3HG1 VAL 86 HG13 VAL 86 -0.449 -5.449 -6.838 673 1HG2 VAL 86 HG21 VAL 86 -1.546 -3.902 -3.599 674 2HG2 VAL 86 HG23 VAL 86 -0.321 -2.636 -3.661 675 3HG2 VAL 86 HG22 VAL 86 -1.636 -2.646 -4.833 676 H THR 87 HN THR 87 1.044 -7.505 -5.020 677 HA THR 87 HA THR 87 3.122 -6.923 -7.069 678 HB THR 87 HB THR 87 4.335 -7.203 -4.893 679 HG1 THR 87 HG1 THR 87 4.636 -8.798 -7.139 680 1HG2 THR 87 HG22 THR 87 2.581 -8.951 -4.122 681 2HG2 THR 87 HG21 THR 87 3.546 -10.105 -5.043 682 3HG2 THR 87 HG23 THR 87 4.270 -9.226 -3.695 683 H ALA 88 HN ALA 88 3.750 -8.940 -8.275 684 HA ALA 88 HA ALA 88 1.340 -10.615 -8.684 685 1HB ALA 88 HB3 ALA 88 3.558 -9.699 -10.327 686 2HB ALA 88 HB2 ALA 88 3.382 -11.451 -10.433 687 3HB ALA 88 HB1 ALA 88 2.021 -10.403 -10.832 688 H GLU 89 HN GLU 89 1.430 -12.925 -8.442 689 HA GLU 89 HA GLU 89 2.093 -14.848 -7.245 690 1HB GLU 89 HB2 GLU 89 4.787 -13.890 -8.270 691 2HB GLU 89 HB1 GLU 89 4.468 -15.497 -7.616 692 1HG GLU 89 HG2 GLU 89 3.420 -16.195 -9.507 693 2HG GLU 89 HG1 GLU 89 2.595 -14.653 -9.730 694 H ALA 90 HN ALA 90 4.725 -15.108 -5.867 695 HA ALA 90 HA ALA 90 5.219 -12.955 -4.102 696 1HB ALA 90 HB1 ALA 90 2.753 -14.341 -3.532 697 2HB ALA 90 HB3 ALA 90 3.890 -14.573 -2.208 698 3HB ALA 90 HB2 ALA 90 3.454 -12.944 -2.718 699 H LYS 91 HN LYS 91 7.258 -13.484 -3.576 700 HA LYS 91 HA LYS 91 7.937 -16.339 -3.051 701 1HB LYS 91 HB2 LYS 91 9.319 -14.097 -4.272 702 2HB LYS 91 HB1 LYS 91 10.270 -14.761 -2.943 703 1HG LYS 91 HG2 LYS 91 10.840 -15.938 -5.002 704 2HG LYS 91 HG1 LYS 91 9.980 -17.040 -3.927 705 1HD LYS 91 HD2 LYS 91 8.437 -17.379 -5.528 706 2HD LYS 91 HD1 LYS 91 8.027 -15.664 -5.482 707 1HE LYS 91 HE2 LYS 91 9.938 -15.220 -7.042 708 2HE LYS 91 HE1 LYS 91 10.187 -16.962 -7.168 709 1HZ LYS 91 HZ3 LYS 91 7.641 -16.905 -7.719 710 2HZ LYS 91 HZ2 LYS 91 7.996 -15.313 -8.196 711 3HZ LYS 91 HZ1 LYS 91 8.802 -16.620 -8.923 712 H LYS 92 HN LYS 92 8.036 -16.928 -0.933 713 HA LYS 92 HA LYS 92 7.550 -15.360 1.287 714 1HB LYS 92 HB2 LYS 92 9.113 -17.877 0.886 715 2HB LYS 92 HB1 LYS 92 9.208 -17.082 2.458 716 1HG LYS 92 HG2 LYS 92 6.790 -17.148 2.697 717 2HG LYS 92 HG1 LYS 92 6.612 -17.793 1.065 718 1HD LYS 92 HD2 LYS 92 7.971 -19.784 1.769 719 2HD LYS 92 HD1 LYS 92 7.943 -19.160 3.419 720 1HE LYS 92 HE2 LYS 92 5.269 -19.083 2.511 721 2HE LYS 92 HE1 LYS 92 5.907 -20.652 2.019 722 1HZ LYS 92 HZ1 LYS 92 6.868 -20.316 4.540 723 2HZ LYS 92 HZ3 LYS 92 5.303 -19.671 4.641 724 3HZ LYS 92 HZ2 LYS 92 5.529 -21.268 4.107 725 H GLU 93 HN GLU 93 10.772 -15.972 -0.125 726 HA GLU 93 HA GLU 93 12.351 -14.626 1.738 727 1HB GLU 93 HB2 GLU 93 13.087 -15.898 -0.360 728 2HB GLU 93 HB1 GLU 93 12.797 -14.397 -1.239 729 1HG GLU 93 HG2 GLU 93 14.271 -13.412 0.782 730 2HG GLU 93 HG1 GLU 93 14.921 -15.051 0.742 731 H ASN 94 HN ASN 94 10.298 -13.260 -0.787 732 HA ASN 94 HA ASN 94 11.324 -10.549 -0.298 733 1HB ASN 94 HB2 ASN 94 9.504 -11.838 -2.253 734 2HB ASN 94 HB1 ASN 94 9.172 -10.146 -1.878 735 1HD2 ASN 94 HD22 ASN 94 11.588 -9.546 -4.447 736 2HD2 ASN 94 HD21 ASN 94 9.924 -9.608 -4.114 737 H ILE 95 HN ILE 95 8.315 -12.349 0.314 738 HA ILE 95 HA ILE 95 6.918 -10.100 1.449 739 HB ILE 95 HB ILE 95 6.385 -12.956 2.267 740 1HG1 ILE 95 HG12 ILE 95 5.500 -11.638 -0.322 741 2HG1 ILE 95 HG11 ILE 95 6.716 -12.905 -0.211 742 1HG2 ILE 95 HG22 ILE 95 5.101 -10.998 3.233 743 2HG2 ILE 95 HG21 ILE 95 4.512 -10.667 1.605 744 3HG2 ILE 95 HG23 ILE 95 4.101 -12.186 2.398 745 1HD1 ILE 95 HD12 ILE 95 4.432 -13.782 1.250 746 2HD1 ILE 95 HD11 ILE 95 3.878 -13.200 -0.319 747 3HD1 ILE 95 HD13 ILE 95 5.105 -14.463 -0.229 748 H ILE 96 HN ILE 96 9.508 -11.982 2.618 749 HA ILE 96 HA ILE 96 8.842 -11.704 5.451 750 HB ILE 96 HB ILE 96 11.282 -12.643 3.948 751 1HG1 ILE 96 HG12 ILE 96 9.596 -14.071 6.014 752 2HG1 ILE 96 HG11 ILE 96 9.167 -14.063 4.304 753 1HG2 ILE 96 HG21 ILE 96 10.966 -11.930 6.848 754 2HG2 ILE 96 HG23 ILE 96 11.998 -13.287 6.399 755 3HG2 ILE 96 HG22 ILE 96 12.347 -11.672 5.783 756 1HD1 ILE 96 HD11 ILE 96 11.911 -14.893 5.257 757 2HD1 ILE 96 HD13 ILE 96 10.582 -16.044 5.119 758 3HD1 ILE 96 HD12 ILE 96 11.166 -15.195 3.687 759 H ALA 97 HN ALA 97 11.716 -10.519 3.693 760 HA ALA 97 HA ALA 97 12.514 -8.558 5.499 761 1HB ALA 97 HB3 ALA 97 12.667 -8.748 2.507 762 2HB ALA 97 HB2 ALA 97 13.167 -7.251 3.293 763 3HB ALA 97 HB1 ALA 97 13.972 -8.768 3.692 764 H ALA 98 HN ALA 98 9.769 -8.549 3.369 765 HA ALA 98 HA ALA 98 9.211 -5.720 3.483 766 1HB ALA 98 HB3 ALA 98 8.238 -7.791 2.020 767 2HB ALA 98 HB2 ALA 98 6.943 -7.604 3.195 768 3HB ALA 98 HB1 ALA 98 7.414 -6.242 2.175 769 H ALA 99 HN ALA 99 7.496 -8.449 5.074 770 HA ALA 99 HA ALA 99 6.004 -6.830 6.837 771 1HB ALA 99 HB2 ALA 99 6.990 -9.669 7.231 772 2HB ALA 99 HB1 ALA 99 5.736 -8.894 8.200 773 3HB ALA 99 HB3 ALA 99 5.466 -9.192 6.482 774 H GLN 100 HN GLN 100 9.274 -8.125 7.119 775 HA GLN 100 HA GLN 100 9.783 -7.697 9.843 776 1HB GLN 100 HB2 GLN 100 11.319 -8.340 7.648 777 2HB GLN 100 HB1 GLN 100 11.941 -6.746 8.078 778 1HG GLN 100 HG2 GLN 100 13.222 -8.346 9.332 779 2HG GLN 100 HG1 GLN 100 12.115 -7.578 10.470 780 1HE2 GLN 100 HE22 GLN 100 11.114 -11.382 9.240 781 2HE2 GLN 100 HE21 GLN 100 11.800 -10.309 8.118 782 H ALA 101 HN ALA 101 9.082 -5.417 7.368 783 HA ALA 101 HA ALA 101 9.961 -3.149 9.106 784 1HB ALA 101 HB1 ALA 101 10.867 -3.183 6.783 785 2HB ALA 101 HB3 ALA 101 9.217 -3.136 6.164 786 3HB ALA 101 HB2 ALA 101 9.855 -1.774 7.084 787 H GLY 102 HN GLY 102 7.818 -2.130 6.788 788 1HA GLY 102 HA2 GLY 102 5.507 -2.270 8.630 789 2HA GLY 102 HA1 GLY 102 5.859 -0.829 7.697 790 H ALA 103 HN ALA 103 6.704 -3.354 5.782 791 HA ALA 103 HA ALA 103 4.593 -3.087 3.885 792 1HB ALA 103 HB2 ALA 103 7.056 -4.335 3.956 793 2HB ALA 103 HB1 ALA 103 5.928 -5.687 3.901 794 3HB ALA 103 HB3 ALA 103 5.889 -4.460 2.639 795 H SER 104 HN SER 104 4.173 -4.039 6.843 796 HA SER 104 HA SER 104 3.242 -6.455 7.412 797 1HB SER 104 HB2 SER 104 1.964 -3.796 7.870 798 2HB SER 104 HB1 SER 104 1.034 -5.233 8.287 799 HG SER 104 HG SER 104 2.373 -5.631 9.879 800 H GLY 105 HN GLY 105 1.619 -4.472 4.943 801 1HA GLY 105 HA2 GLY 105 -0.337 -6.705 4.585 802 2HA GLY 105 HA1 GLY 105 -0.589 -5.056 4.037 803 OH TYR 106 OH TYR 106 1.096 -13.279 -2.271 804 H TYR 106 HN TYR 106 -0.288 -7.909 2.767 805 HA TYR 106 HA TYR 106 1.147 -6.893 0.378 806 1HB TYR 106 HB2 TYR 106 2.918 -8.249 0.770 807 2HB TYR 106 HB1 TYR 106 2.086 -9.073 2.087 808 HD1 TYR 106 HD1 TYR 106 2.066 -8.868 -1.694 809 HD2 TYR 106 HD2 TYR 106 1.410 -11.293 1.798 810 HE1 TYR 106 HE1 TYR 106 1.668 -10.849 -3.121 811 HE2 TYR 106 HE2 TYR 106 1.018 -13.260 0.364 812 HH TYR 106 HH TYR 106 0.731 -13.977 -1.723 813 H VAL 107 HN VAL 107 -0.461 -6.939 -1.082 814 HA VAL 107 HA VAL 107 -2.290 -9.311 -1.116 815 HB VAL 107 HB VAL 107 -3.328 -6.999 -0.784 816 1HG1 VAL 107 HG11 VAL 107 -1.652 -6.022 -2.516 817 2HG1 VAL 107 HG13 VAL 107 -2.764 -6.661 -3.726 818 3HG1 VAL 107 HG12 VAL 107 -3.318 -5.454 -2.573 819 1HG2 VAL 107 HG21 VAL 107 -4.011 -8.720 -3.185 820 2HG2 VAL 107 HG23 VAL 107 -4.710 -8.812 -1.569 821 3HG2 VAL 107 HG22 VAL 107 -5.055 -7.424 -2.601 822 H VAL 108 HN VAL 108 -2.153 -10.595 -2.909 823 HA VAL 108 HA VAL 108 -0.118 -10.078 -4.864 824 HB VAL 108 HB VAL 108 -2.415 -11.831 -5.611 825 1HG1 VAL 108 HG13 VAL 108 -0.045 -11.548 -6.699 826 2HG1 VAL 108 HG12 VAL 108 0.483 -12.604 -5.390 827 3HG1 VAL 108 HG11 VAL 108 -0.732 -13.165 -6.539 828 1HG2 VAL 108 HG21 VAL 108 -0.775 -12.152 -3.110 829 2HG2 VAL 108 HG23 VAL 108 -2.494 -12.455 -3.356 830 3HG2 VAL 108 HG22 VAL 108 -1.299 -13.582 -3.998 831 H LYS 109 HN LYS 109 -1.633 -10.611 -7.279 832 HA LYS 109 HA LYS 109 -3.784 -8.724 -7.575 833 1HB LYS 109 HB2 LYS 109 -2.503 -7.060 -8.997 834 2HB LYS 109 HB1 LYS 109 -2.119 -7.017 -7.283 835 1HG LYS 109 HG2 LYS 109 0.032 -7.570 -7.685 836 2HG LYS 109 HG1 LYS 109 -0.455 -8.952 -8.665 837 1HD LYS 109 HD2 LYS 109 -0.733 -7.545 -10.619 838 2HD LYS 109 HD1 LYS 109 -0.442 -6.091 -9.664 839 1HE LYS 109 HE2 LYS 109 1.619 -8.283 -9.761 840 2HE LYS 109 HE1 LYS 109 1.532 -7.081 -11.050 841 1HZ LYS 109 HZ2 LYS 109 1.670 -6.353 -8.182 842 2HZ LYS 109 HZ1 LYS 109 3.054 -6.538 -9.150 843 3HZ LYS 109 HZ3 LYS 109 1.909 -5.345 -9.528 844 HA PRO 110 HA PRO 110 -4.679 -7.530 -9.423 845 1HB PRO 110 HB2 PRO 110 -6.828 -8.598 -10.984 846 2HB PRO 110 HB1 PRO 110 -5.757 -7.255 -11.405 847 1HG PRO 110 HG2 PRO 110 -5.823 -9.818 -12.640 848 2HG PRO 110 HG1 PRO 110 -4.623 -8.546 -12.905 849 1HD PRO 110 HD2 PRO 110 -4.360 -11.042 -11.370 850 2HD PRO 110 HD1 PRO 110 -3.090 -9.946 -11.953 851 H PHE 111 HN PHE 111 -6.386 -7.355 -7.900 852 HA PHE 111 HA PHE 111 -7.525 -9.948 -6.920 853 1HB PHE 111 HB2 PHE 111 -7.987 -8.504 -4.801 854 2HB PHE 111 HB1 PHE 111 -6.353 -9.072 -5.083 855 HD1 PHE 111 HD2 PHE 111 -8.627 -6.157 -5.769 856 HD2 PHE 111 HD1 PHE 111 -4.614 -7.528 -5.124 857 HE1 PHE 111 HE2 PHE 111 -7.799 -3.830 -5.870 858 HE2 PHE 111 HE1 PHE 111 -3.790 -5.198 -5.214 859 HZ PHE 111 HZ PHE 111 -5.388 -3.342 -5.582 860 H THR 112 HN THR 112 -9.704 -9.919 -6.252 861 HA THR 112 HA THR 112 -11.384 -8.008 -7.771 862 HB THR 112 HB THR 112 -12.695 -10.055 -6.085 863 HG1 THR 112 HG1 THR 112 -10.559 -10.859 -7.098 864 1HG2 THR 112 HG21 THR 112 -13.834 -8.673 -7.813 865 2HG2 THR 112 HG23 THR 112 -12.829 -9.433 -9.048 866 3HG2 THR 112 HG22 THR 112 -13.982 -10.402 -8.130 867 H ALA 113 HN ALA 113 -12.872 -6.615 -6.637 868 HA ALA 113 HA ALA 113 -12.015 -5.441 -4.268 869 1HB ALA 113 HB1 ALA 113 -14.153 -5.031 -5.928 870 2HB ALA 113 HB3 ALA 113 -14.962 -5.625 -4.478 871 3HB ALA 113 HB2 ALA 113 -13.929 -4.198 -4.390 872 H ALA 114 HN ALA 114 -13.835 -8.417 -4.629 873 HA ALA 114 HA ALA 114 -14.439 -8.595 -1.779 874 1HB ALA 114 HB1 ALA 114 -15.586 -9.828 -3.831 875 2HB ALA 114 HB3 ALA 114 -14.312 -11.016 -3.554 876 3HB ALA 114 HB2 ALA 114 -15.459 -10.637 -2.269 877 H THR 115 HN THR 115 -11.899 -9.700 -3.964 878 HA THR 115 HA THR 115 -10.575 -11.350 -1.992 879 HB THR 115 HB THR 115 -9.627 -10.046 -4.533 880 HG1 THR 115 HG1 THR 115 -10.617 -11.750 -5.228 881 1HG2 THR 115 HG21 THR 115 -8.135 -11.753 -2.545 882 2HG2 THR 115 HG23 THR 115 -7.635 -11.625 -4.232 883 3HG2 THR 115 HG22 THR 115 -7.656 -10.190 -3.207 884 H LEU 116 HN LEU 116 -9.659 -8.064 -3.319 885 HA LEU 116 HA LEU 116 -7.728 -7.438 -1.414 886 1HB LEU 116 HB2 LEU 116 -9.204 -5.984 -3.283 887 2HB LEU 116 HB1 LEU 116 -9.647 -5.242 -1.752 888 HG LEU 116 HG LEU 116 -6.910 -5.444 -3.035 889 1HD1 LEU 116 HD11 LEU 116 -8.826 -3.302 -2.463 890 2HD1 LEU 116 HD13 LEU 116 -7.227 -2.962 -1.820 891 3HD1 LEU 116 HD12 LEU 116 -7.429 -3.302 -3.530 892 1HD2 LEU 116 HD23 LEU 116 -7.535 -5.442 -0.157 893 2HD2 LEU 116 HD22 LEU 116 -6.039 -5.854 -0.992 894 3HD2 LEU 116 HD21 LEU 116 -6.446 -4.168 -0.671 895 H GLU 117 HN GLU 117 -11.281 -6.957 -1.077 896 HA GLU 117 HA GLU 117 -11.333 -5.942 1.526 897 1HB GLU 117 HB2 GLU 117 -13.325 -6.259 0.034 898 2HB GLU 117 HB1 GLU 117 -13.280 -7.980 0.417 899 1HG GLU 117 HG2 GLU 117 -13.140 -6.631 2.895 900 2HG GLU 117 HG1 GLU 117 -14.396 -5.811 1.966 901 H GLU 118 HN GLU 118 -10.813 -9.253 0.466 902 HA GLU 118 HA GLU 118 -11.128 -10.494 3.040 903 1HB GLU 118 HB2 GLU 118 -11.052 -11.609 0.716 904 2HB GLU 118 HB1 GLU 118 -9.297 -11.504 0.861 905 1HG GLU 118 HG2 GLU 118 -9.753 -13.624 1.756 906 2HG GLU 118 HG1 GLU 118 -9.670 -12.611 3.197 907 H LYS 119 HN LYS 119 -8.261 -9.259 1.304 908 HA LYS 119 HA LYS 119 -6.413 -10.018 3.395 909 1HB LYS 119 HB2 LYS 119 -6.306 -8.368 0.915 910 2HB LYS 119 HB1 LYS 119 -5.074 -8.055 2.136 911 1HG LYS 119 HG2 LYS 119 -4.312 -9.772 0.536 912 2HG LYS 119 HG1 LYS 119 -4.475 -10.447 2.157 913 1HD LYS 119 HD2 LYS 119 -6.220 -11.794 1.563 914 2HD LYS 119 HD1 LYS 119 -6.911 -10.588 0.476 915 1HE LYS 119 HE2 LYS 119 -5.469 -11.177 -1.293 916 2HE LYS 119 HE1 LYS 119 -4.337 -11.995 -0.216 917 1HZ LYS 119 HZ1 LYS 119 -6.199 -13.591 0.258 918 2HZ LYS 119 HZ3 LYS 119 -7.034 -12.896 -1.044 919 3HZ LYS 119 HZ2 LYS 119 -5.545 -13.671 -1.308 920 H LEU 120 HN LEU 120 -7.821 -6.859 2.472 921 HA LEU 120 HA LEU 120 -6.669 -5.274 4.463 922 1HB LEU 120 HB2 LEU 120 -8.363 -4.673 2.554 923 2HB LEU 120 HB1 LEU 120 -9.584 -4.946 3.797 924 HG LEU 120 HG LEU 120 -7.944 -3.410 5.223 925 1HD1 LEU 120 HD12 LEU 120 -6.291 -3.237 3.370 926 2HD1 LEU 120 HD11 LEU 120 -7.521 -2.455 2.376 927 3HD1 LEU 120 HD13 LEU 120 -6.932 -1.662 3.837 928 1HD2 LEU 120 HD21 LEU 120 -9.918 -2.415 3.148 929 2HD2 LEU 120 HD23 LEU 120 -10.289 -2.888 4.806 930 3HD2 LEU 120 HD22 LEU 120 -9.318 -1.449 4.495 931 H ASN 121 HN ASN 121 -9.880 -6.848 4.742 932 HA ASN 121 HA ASN 121 -10.332 -6.288 7.448 933 1HB ASN 121 HB2 ASN 121 -11.150 -8.569 5.661 934 2HB ASN 121 HB1 ASN 121 -11.620 -8.547 7.357 935 1HD2 ASN 121 HD22 ASN 121 -14.187 -6.751 5.198 936 2HD2 ASN 121 HD21 ASN 121 -13.449 -8.272 5.049 937 H LYS 122 HN LYS 122 -8.385 -8.868 6.018 938 HA LYS 122 HA LYS 122 -7.964 -10.330 8.452 939 1HB LYS 122 HB2 LYS 122 -6.743 -10.255 5.746 940 2HB LYS 122 HB1 LYS 122 -5.722 -10.888 7.035 941 1HG LYS 122 HG2 LYS 122 -8.557 -11.857 6.809 942 2HG LYS 122 HG1 LYS 122 -7.333 -12.508 5.720 943 1HD LYS 122 HD2 LYS 122 -5.936 -13.141 7.652 944 2HD LYS 122 HD1 LYS 122 -7.157 -12.496 8.749 945 1HE LYS 122 HE2 LYS 122 -8.748 -14.150 8.119 946 2HE LYS 122 HE1 LYS 122 -7.802 -14.630 6.710 947 1HZ LYS 122 HZ2 LYS 122 -6.390 -14.819 9.219 948 2HZ LYS 122 HZ1 LYS 122 -7.725 -15.863 9.095 949 3HZ LYS 122 HZ3 LYS 122 -6.487 -15.931 7.938 950 H ILE 123 HN ILE 123 -6.529 -7.407 7.190 951 HA ILE 123 HA ILE 123 -4.255 -7.574 9.064 952 HB ILE 123 HB ILE 123 -5.122 -5.599 6.963 953 1HG1 ILE 123 HG12 ILE 123 -2.518 -7.087 7.461 954 2HG1 ILE 123 HG11 ILE 123 -3.792 -7.650 6.381 955 1HG2 ILE 123 HG23 ILE 123 -3.222 -5.203 9.270 956 2HG2 ILE 123 HG22 ILE 123 -2.917 -4.388 7.739 957 3HG2 ILE 123 HG21 ILE 123 -4.413 -4.082 8.615 958 1HD1 ILE 123 HD11 ILE 123 -3.423 -5.080 5.489 959 2HD1 ILE 123 HD13 ILE 123 -1.790 -5.523 5.981 960 3HD1 ILE 123 HD12 ILE 123 -2.648 -6.499 4.789 961 H PHE 124 HN PHE 124 -7.106 -5.463 8.584 962 HA PHE 124 HA PHE 124 -6.640 -3.802 10.822 963 1HB PHE 124 HB2 PHE 124 -9.080 -4.569 9.262 964 2HB PHE 124 HB1 PHE 124 -9.250 -3.605 10.731 965 HD1 PHE 124 HD2 PHE 124 -7.454 -3.774 7.477 966 HD2 PHE 124 HD1 PHE 124 -8.712 -1.288 10.742 967 HE1 PHE 124 HE2 PHE 124 -6.690 -1.765 6.244 968 HE2 PHE 124 HE1 PHE 124 -7.938 0.722 9.507 969 HZ PHE 124 HZ PHE 124 -6.932 0.472 7.254 970 H GLU 125 HN GLU 125 -7.419 -7.115 10.777 971 HA GLU 125 HA GLU 125 -8.964 -7.241 13.208 972 1HB GLU 125 HB2 GLU 125 -8.458 -9.110 11.413 973 2HB GLU 125 HB1 GLU 125 -7.044 -9.420 12.422 974 1HG GLU 125 HG2 GLU 125 -8.714 -10.846 13.310 975 2HG GLU 125 HG1 GLU 125 -8.698 -9.461 14.403 976 H LYS 126 HN LYS 126 -5.623 -6.759 12.463 977 HA LYS 126 HA LYS 126 -4.775 -7.250 15.257 978 1HB LYS 126 HB2 LYS 126 -3.479 -7.139 12.656 979 2HB LYS 126 HB1 LYS 126 -2.671 -6.069 13.794 980 1HG LYS 126 HG2 LYS 126 -3.366 -8.921 14.527 981 2HG LYS 126 HG1 LYS 126 -1.870 -8.529 13.689 982 1HD LYS 126 HD2 LYS 126 -2.721 -7.288 16.327 983 2HD LYS 126 HD1 LYS 126 -1.604 -8.641 16.178 984 1HE LYS 126 HE2 LYS 126 0.023 -7.074 16.060 985 2HE LYS 126 HE1 LYS 126 -0.545 -6.775 14.419 986 1HZ LYS 126 HZ3 LYS 126 -2.088 -5.469 16.479 987 2HZ LYS 126 HZ2 LYS 126 -0.479 -4.934 16.372 988 3HZ LYS 126 HZ1 LYS 126 -1.496 -4.854 15.013 989 H LEU 127 HN LEU 127 -5.506 -4.662 13.019 990 HA LEU 127 HA LEU 127 -4.399 -2.565 14.726 991 1HB LEU 127 HB2 LEU 127 -5.030 -2.655 12.071 992 2HB LEU 127 HB1 LEU 127 -6.459 -1.843 12.712 993 HG LEU 127 HG LEU 127 -3.587 -0.992 13.205 994 1HD1 LEU 127 HD12 LEU 127 -5.781 0.151 11.452 995 2HD1 LEU 127 HD11 LEU 127 -4.273 0.986 11.825 996 3HD1 LEU 127 HD13 LEU 127 -4.243 -0.524 10.913 997 1HD2 LEU 127 HD21 LEU 127 -6.268 -0.009 14.169 998 2HD2 LEU 127 HD23 LEU 127 -4.794 -0.284 15.097 999 3HD2 LEU 127 HD22 LEU 127 -4.911 1.107 14.020 1000 H GLY 128 HN GLY 128 -7.423 -4.267 14.406 1001 1HA GLY 128 HA2 GLY 128 -9.497 -3.964 15.485 1002 2HA GLY 128 HA1 GLY 128 -8.487 -3.552 16.871 1003 H MET 129 HN MET 129 -10.114 -2.181 14.036 1004 HA MET 129 HA MET 129 -9.688 0.555 15.073 1005 1HB MET 129 HB2 MET 129 -10.187 -0.610 12.502 1006 2HB MET 129 HB1 MET 129 -11.480 0.536 12.857 1007 1HG MET 129 HG2 MET 129 -8.518 1.144 13.091 1008 2HG MET 129 HG1 MET 129 -9.542 1.628 11.740 1009 1HE MET 129 HE3 MET 129 -11.160 3.327 11.647 1010 2HE MET 129 HE2 MET 129 -11.012 4.780 12.633 1011 3HE MET 129 HE1 MET 129 -9.609 4.171 11.758 Start of MODEL 2 Raw file had 1011 H/Q atoms Start of MODEL 2 1 H ALA 2 HN ALA 2 -14.573 -1.007 7.841 2 HA ALA 2 HA ALA 2 -13.269 0.239 10.205 3 1HB ALA 2 HB2 ALA 2 -12.265 -0.217 7.378 4 2HB ALA 2 HB1 ALA 2 -11.313 0.469 8.695 5 3HB ALA 2 HB3 ALA 2 -11.870 -1.201 8.787 6 H ASP 3 HN ASP 3 -12.163 2.421 9.674 7 HA ASP 3 HA ASP 3 -14.019 4.445 9.252 8 1HB ASP 3 HB2 ASP 3 -11.055 4.258 8.986 9 2HB ASP 3 HB1 ASP 3 -11.830 5.678 8.284 10 H LYS 4 HN LYS 4 -14.852 5.512 7.436 11 HA LYS 4 HA LYS 4 -14.493 4.127 4.854 12 1HB LYS 4 HB2 LYS 4 -16.351 6.392 5.614 13 2HB LYS 4 HB1 LYS 4 -16.363 5.532 4.081 14 1HG LYS 4 HG2 LYS 4 -16.485 3.459 5.886 15 2HG LYS 4 HG1 LYS 4 -17.435 4.705 6.695 16 1HD LYS 4 HD2 LYS 4 -18.835 4.974 4.702 17 2HD LYS 4 HD1 LYS 4 -17.860 3.789 3.833 18 1HE LYS 4 HE2 LYS 4 -19.743 2.574 4.606 19 2HE LYS 4 HE1 LYS 4 -18.444 2.159 5.724 20 1HZ LYS 4 HZ1 LYS 4 -19.279 3.960 7.188 21 2HZ LYS 4 HZ3 LYS 4 -20.612 4.138 6.154 22 3HZ LYS 4 HZ2 LYS 4 -20.374 2.676 6.989 23 H GLU 5 HN GLU 5 -12.671 6.321 6.314 24 HA GLU 5 HA GLU 5 -12.051 7.733 3.765 25 1HB GLU 5 HB2 GLU 5 -11.657 9.815 5.267 26 2HB GLU 5 HB1 GLU 5 -13.320 9.410 4.838 27 1HG GLU 5 HG2 GLU 5 -13.690 8.345 6.970 28 2HG GLU 5 HG1 GLU 5 -11.981 8.474 7.389 29 H LEU 6 HN LEU 6 -10.592 5.635 4.599 30 HA LEU 6 HA LEU 6 -8.393 6.515 6.288 31 1HB LEU 6 HB2 LEU 6 -9.244 4.170 6.296 32 2HB LEU 6 HB1 LEU 6 -8.692 4.002 4.634 33 HG LEU 6 HG LEU 6 -6.379 4.518 5.372 34 1HD1 LEU 6 HD11 LEU 6 -7.792 4.837 7.981 35 2HD1 LEU 6 HD13 LEU 6 -6.172 4.140 7.993 36 3HD1 LEU 6 HD12 LEU 6 -6.435 5.748 7.319 37 1HD2 LEU 6 HD23 LEU 6 -7.984 2.209 6.309 38 2HD2 LEU 6 HD22 LEU 6 -6.567 2.237 5.263 39 3HD2 LEU 6 HD21 LEU 6 -6.377 2.369 7.013 40 H LYS 7 HN LYS 7 -7.032 7.986 5.328 41 HA LYS 7 HA LYS 7 -6.707 8.526 2.630 42 1HB LYS 7 HB2 LYS 7 -5.019 8.906 5.041 43 2HB LYS 7 HB1 LYS 7 -4.219 9.084 3.481 44 1HG LYS 7 HG2 LYS 7 -5.891 10.725 2.772 45 2HG LYS 7 HG1 LYS 7 -6.764 10.516 4.290 46 1HD LYS 7 HD2 LYS 7 -4.821 11.338 5.546 47 2HD LYS 7 HD1 LYS 7 -3.910 11.512 4.045 48 1HE LYS 7 HE2 LYS 7 -6.484 12.971 4.713 49 2HE LYS 7 HE1 LYS 7 -4.868 13.676 4.759 50 1HZ LYS 7 HZ2 LYS 7 -4.759 12.813 2.336 51 2HZ LYS 7 HZ1 LYS 7 -6.456 12.821 2.437 52 3HZ LYS 7 HZ3 LYS 7 -5.587 14.258 2.672 53 H PHE 8 HN PHE 8 -6.220 7.132 1.011 54 HA PHE 8 HA PHE 8 -4.199 4.993 1.483 55 1HB PHE 8 HB2 PHE 8 -6.308 5.408 -0.656 56 2HB PHE 8 HB1 PHE 8 -5.024 4.231 -0.832 57 HD1 PHE 8 HD2 PHE 8 -8.017 5.166 1.086 58 HD2 PHE 8 HD1 PHE 8 -5.027 2.163 0.443 59 HE1 PHE 8 HE2 PHE 8 -9.332 3.559 2.438 60 HE2 PHE 8 HE1 PHE 8 -6.381 0.546 1.767 61 HZ PHE 8 HZ PHE 8 -8.513 1.251 2.780 62 H LEU 9 HN LEU 9 -2.444 4.811 -0.104 63 HA LEU 9 HA LEU 9 -2.088 7.220 -1.849 64 1HB LEU 9 HB2 LEU 9 -0.643 7.671 -0.003 65 2HB LEU 9 HB1 LEU 9 -0.058 6.015 0.041 66 HG LEU 9 HG LEU 9 1.101 6.287 -2.062 67 1HD1 LEU 9 HD13 LEU 9 -0.452 8.862 -2.165 68 2HD1 LEU 9 HD12 LEU 9 1.049 8.688 -3.072 69 3HD1 LEU 9 HD11 LEU 9 -0.308 7.610 -3.399 70 1HD2 LEU 9 HD23 LEU 9 1.536 8.322 0.071 71 2HD2 LEU 9 HD22 LEU 9 2.623 7.083 -0.551 72 3HD2 LEU 9 HD21 LEU 9 2.374 8.572 -1.458 73 H VAL 10 HN VAL 10 -2.339 6.301 -3.837 74 HA VAL 10 HA VAL 10 -1.159 3.631 -4.348 75 HB VAL 10 HB VAL 10 -2.283 4.145 -6.666 76 1HG1 VAL 10 HG12 VAL 10 -3.641 3.548 -4.041 77 2HG1 VAL 10 HG11 VAL 10 -4.558 3.569 -5.546 78 3HG1 VAL 10 HG13 VAL 10 -3.225 2.433 -5.343 79 1HG2 VAL 10 HG23 VAL 10 -2.602 6.579 -6.036 80 2HG2 VAL 10 HG22 VAL 10 -4.066 5.763 -6.581 81 3HG2 VAL 10 HG21 VAL 10 -3.803 6.044 -4.860 82 H VAL 11 HN VAL 11 1.000 3.721 -4.833 83 HA VAL 11 HA VAL 11 2.044 5.975 -6.401 84 HB VAL 11 HB VAL 11 3.487 3.698 -5.025 85 1HG1 VAL 11 HG13 VAL 11 4.345 5.839 -6.861 86 2HG1 VAL 11 HG12 VAL 11 5.277 5.760 -5.365 87 3HG1 VAL 11 HG11 VAL 11 5.169 4.346 -6.412 88 1HG2 VAL 11 HG23 VAL 11 2.291 6.098 -4.037 89 2HG2 VAL 11 HG22 VAL 11 3.249 4.917 -3.146 90 3HG2 VAL 11 HG21 VAL 11 4.040 6.282 -3.935 91 H ASP 12 HN ASP 12 0.351 4.171 -7.813 92 HA ASP 12 HA ASP 12 1.909 2.179 -9.217 93 1HB ASP 12 HB2 ASP 12 -0.458 3.402 -10.545 94 2HB ASP 12 HB1 ASP 12 -0.038 1.701 -10.340 95 H ASP 13 HN ASP 13 2.911 2.339 -11.249 96 HA ASP 13 HA ASP 13 3.526 5.115 -12.117 97 1HB ASP 13 HB2 ASP 13 5.469 3.723 -11.746 98 2HB ASP 13 HB1 ASP 13 4.803 2.445 -12.764 99 H PHE 14 HN PHE 14 1.272 2.823 -12.846 100 HA PHE 14 HA PHE 14 1.395 3.107 -15.778 101 1HB PHE 14 HB2 PHE 14 0.062 1.356 -13.873 102 2HB PHE 14 HB1 PHE 14 -1.062 1.957 -15.093 103 HD1 PHE 14 HD1 PHE 14 2.064 0.066 -14.527 104 HD2 PHE 14 HD2 PHE 14 -0.820 1.370 -17.432 105 HE1 PHE 14 HE1 PHE 14 3.021 -1.510 -16.185 106 HE2 PHE 14 HE2 PHE 14 0.137 -0.207 -19.090 107 HZ PHE 14 HZ PHE 14 2.058 -1.647 -18.467 108 H SER 15 HN SER 15 -0.058 4.347 -16.995 109 HA SER 15 HA SER 15 -1.373 6.535 -15.533 110 1HB SER 15 HB2 SER 15 -1.495 7.637 -17.592 111 2HB SER 15 HB1 SER 15 -0.049 6.653 -17.798 112 HG SER 15 HG SER 15 -2.644 6.289 -18.826 113 H THR 16 HN THR 16 -2.478 3.851 -15.194 114 HA THR 16 HA THR 16 -5.267 4.486 -15.710 115 HB THR 16 HB THR 16 -4.569 3.627 -17.941 116 HG1 THR 16 HG1 THR 16 -6.058 1.518 -17.016 117 1HG2 THR 16 HG22 THR 16 -2.920 1.970 -16.567 118 2HG2 THR 16 HG21 THR 16 -4.261 0.872 -16.894 119 3HG2 THR 16 HG23 THR 16 -3.429 1.670 -18.228 120 H MET 17 HN MET 17 -2.790 2.799 -14.163 121 HA MET 17 HA MET 17 -4.344 0.597 -13.093 122 1HB MET 17 HB2 MET 17 -1.938 0.392 -13.119 123 2HB MET 17 HB1 MET 17 -1.751 1.884 -12.195 124 1HG MET 17 HG2 MET 17 -2.244 0.868 -10.213 125 2HG MET 17 HG1 MET 17 -3.479 -0.162 -10.937 126 1HE MET 17 HE1 MET 17 -2.962 -2.039 -9.597 127 2HE MET 17 HE3 MET 17 -3.127 -2.705 -11.228 128 3HE MET 17 HE2 MET 17 -1.860 -3.294 -10.155 129 NH1 ARG 18 NH1 ARG 18 -0.130 8.092 -11.069 130 NH2 ARG 18 NH2 ARG 18 -0.189 7.826 -13.313 131 H ARG 18 HN ARG 18 -3.576 3.886 -11.994 132 HA ARG 18 HA ARG 18 -4.652 3.627 -9.364 133 1HB ARG 18 HB2 ARG 18 -4.842 6.160 -10.991 134 2HB ARG 18 HB1 ARG 18 -4.612 5.990 -9.251 135 1HG ARG 18 HG2 ARG 18 -2.404 6.239 -9.657 136 2HG ARG 18 HG1 ARG 18 -2.452 4.605 -10.314 137 1HD ARG 18 HD2 ARG 18 -2.928 5.499 -12.553 138 2HD ARG 18 HD1 ARG 18 -2.935 7.140 -11.908 139 HE ARG 18 HE ARG 18 -0.499 5.402 -11.953 140 1HH1 ARG 18 HH11 ARG 18 -0.331 7.752 -10.150 141 2HH1 ARG 18 HH12 ARG 18 0.317 8.980 -11.186 142 1HH2 ARG 18 HH21 ARG 18 -0.436 7.281 -14.113 143 2HH2 ARG 18 HH22 ARG 18 0.257 8.712 -13.430 144 NH1 ARG 19 NH2 ARG 19 -9.752 4.905 -18.048 145 NH2 ARG 19 NH1 ARG 19 -10.064 7.128 -17.784 146 H ARG 19 HN ARG 19 -6.155 3.636 -12.436 147 HA ARG 19 HA ARG 19 -8.730 4.701 -11.611 148 1HB ARG 19 HB2 ARG 19 -7.671 4.394 -14.021 149 2HB ARG 19 HB1 ARG 19 -8.446 2.814 -13.918 150 1HG ARG 19 HG2 ARG 19 -10.601 3.935 -13.375 151 2HG ARG 19 HG1 ARG 19 -9.813 5.499 -13.574 152 1HD ARG 19 HD2 ARG 19 -9.296 3.785 -15.861 153 2HD ARG 19 HD1 ARG 19 -11.028 3.967 -15.589 154 HE ARG 19 HE ARG 19 -10.013 6.552 -15.383 155 1HH1 ARG 19 HH21 ARG 19 -9.657 3.991 -17.655 156 2HH1 ARG 19 HH22 ARG 19 -9.704 5.030 -19.040 157 1HH2 ARG 19 HH11 ARG 19 -10.207 7.917 -17.187 158 2HH2 ARG 19 HH12 ARG 19 -10.016 7.253 -18.775 159 H ILE 20 HN ILE 20 -7.370 1.442 -12.028 160 HA ILE 20 HA ILE 20 -9.734 -0.039 -11.517 161 HB ILE 20 HB ILE 20 -6.800 -0.573 -11.272 162 1HG1 ILE 20 HG12 ILE 20 -7.344 -2.321 -12.887 163 2HG1 ILE 20 HG11 ILE 20 -9.069 -2.036 -12.655 164 1HG2 ILE 20 HG21 ILE 20 -8.997 -2.223 -10.013 165 2HG2 ILE 20 HG23 ILE 20 -7.493 -2.959 -10.563 166 3HG2 ILE 20 HG22 ILE 20 -7.458 -1.724 -9.307 167 1HD1 ILE 20 HD12 ILE 20 -7.282 0.232 -13.489 168 2HD1 ILE 20 HD11 ILE 20 -7.857 -0.921 -14.694 169 3HD1 ILE 20 HD13 ILE 20 -9.013 0.026 -13.757 170 H VAL 21 HN VAL 21 -7.167 0.905 -9.199 171 HA VAL 21 HA VAL 21 -8.553 -0.087 -6.909 172 HB VAL 21 HB VAL 21 -6.984 2.027 -5.989 173 1HG1 VAL 21 HG13 VAL 21 -6.372 -0.894 -6.520 174 2HG1 VAL 21 HG12 VAL 21 -5.329 0.160 -5.565 175 3HG1 VAL 21 HG11 VAL 21 -6.971 -0.184 -5.020 176 1HG2 VAL 21 HG21 VAL 21 -6.281 2.299 -8.404 177 2HG2 VAL 21 HG23 VAL 21 -4.955 1.957 -7.294 178 3HG2 VAL 21 HG22 VAL 21 -5.598 0.676 -8.321 179 NH1 ARG 22 NH2 ARG 22 -11.582 8.919 -9.019 180 NH2 ARG 22 NH1 ARG 22 -10.618 9.949 -10.785 181 H ARG 22 HN ARG 22 -8.605 3.077 -8.506 182 HA ARG 22 HA ARG 22 -9.886 4.674 -6.627 183 1HB ARG 22 HB2 ARG 22 -9.807 4.537 -9.552 184 2HB ARG 22 HB1 ARG 22 -11.294 5.255 -8.938 185 1HG ARG 22 HG2 ARG 22 -10.112 6.950 -7.756 186 2HG ARG 22 HG1 ARG 22 -8.573 6.109 -7.935 187 1HD ARG 22 HD2 ARG 22 -8.254 6.869 -10.063 188 2HD ARG 22 HD1 ARG 22 -9.967 6.759 -10.466 189 HE ARG 22 HE ARG 22 -8.651 9.065 -9.138 190 1HH1 ARG 22 HH21 ARG 22 -11.518 8.297 -8.238 191 2HH1 ARG 22 HH22 ARG 22 -12.449 9.372 -9.227 192 1HH2 ARG 22 HH11 ARG 22 -9.816 10.117 -11.356 193 2HH2 ARG 22 HH12 ARG 22 -11.484 10.402 -10.993 194 H ASN 23 HN ASN 23 -11.558 2.538 -8.962 195 HA ASN 23 HA ASN 23 -14.166 2.883 -7.844 196 1HB ASN 23 HB2 ASN 23 -12.997 1.667 -10.036 197 2HB ASN 23 HB1 ASN 23 -13.583 0.319 -9.099 198 1HD2 ASN 23 HD22 ASN 23 -17.044 1.182 -9.504 199 2HD2 ASN 23 HD21 ASN 23 -15.956 0.349 -8.502 200 H LEU 24 HN LEU 24 -11.932 0.147 -7.742 201 HA LEU 24 HA LEU 24 -13.155 -1.591 -6.012 202 1HB LEU 24 HB2 LEU 24 -10.783 -1.595 -7.104 203 2HB LEU 24 HB1 LEU 24 -10.279 -0.844 -5.605 204 HG LEU 24 HG LEU 24 -11.894 -3.114 -4.929 205 1HD1 LEU 24 HD11 LEU 24 -9.733 -3.659 -6.984 206 2HD1 LEU 24 HD13 LEU 24 -10.462 -4.895 -5.964 207 3HD1 LEU 24 HD12 LEU 24 -11.451 -4.024 -7.135 208 1HD2 LEU 24 HD23 LEU 24 -8.971 -2.399 -4.658 209 2HD2 LEU 24 HD22 LEU 24 -10.209 -2.462 -3.409 210 3HD2 LEU 24 HD21 LEU 24 -9.588 -3.951 -4.110 211 H LEU 25 HN LEU 25 -10.819 0.845 -4.802 212 HA LEU 25 HA LEU 25 -11.417 0.627 -2.072 213 1HB LEU 25 HB2 LEU 25 -10.447 2.879 -3.804 214 2HB LEU 25 HB1 LEU 25 -10.861 3.222 -2.132 215 HG LEU 25 HG LEU 25 -8.965 1.013 -2.972 216 1HD1 LEU 25 HD13 LEU 25 -8.549 3.921 -2.460 217 2HD1 LEU 25 HD12 LEU 25 -7.351 2.806 -1.803 218 3HD1 LEU 25 HD11 LEU 25 -7.674 2.832 -3.536 219 1HD2 LEU 25 HD23 LEU 25 -10.198 1.795 -0.458 220 2HD2 LEU 25 HD22 LEU 25 -9.179 0.401 -0.810 221 3HD2 LEU 25 HD21 LEU 25 -8.445 1.938 -0.361 222 H LYS 26 HN LYS 26 -13.017 2.658 -4.531 223 HA LYS 26 HA LYS 26 -14.834 4.003 -2.892 224 1HB LYS 26 HB2 LYS 26 -14.463 4.053 -5.506 225 2HB LYS 26 HB1 LYS 26 -15.777 2.878 -5.505 226 1HG LYS 26 HG2 LYS 26 -17.201 4.445 -4.253 227 2HG LYS 26 HG1 LYS 26 -15.887 5.622 -4.219 228 1HD LYS 26 HD2 LYS 26 -16.627 4.561 -6.895 229 2HD LYS 26 HD1 LYS 26 -17.802 5.627 -6.125 230 1HE LYS 26 HE2 LYS 26 -16.164 7.381 -5.888 231 2HE LYS 26 HE1 LYS 26 -14.865 6.308 -6.409 232 1HZ LYS 26 HZ2 LYS 26 -17.110 6.574 -8.232 233 2HZ LYS 26 HZ1 LYS 26 -16.143 7.959 -8.047 234 3HZ LYS 26 HZ3 LYS 26 -15.445 6.502 -8.560 235 H GLU 27 HN GLU 27 -15.202 0.800 -4.401 236 HA GLU 27 HA GLU 27 -17.765 0.225 -3.352 237 1HB GLU 27 HB2 GLU 27 -16.283 -1.069 -5.096 238 2HB GLU 27 HB1 GLU 27 -15.705 -1.934 -3.671 239 1HG GLU 27 HG2 GLU 27 -17.526 -3.251 -4.256 240 2HG GLU 27 HG1 GLU 27 -18.287 -2.125 -3.131 241 H LEU 28 HN LEU 28 -14.631 0.263 -1.867 242 HA LEU 28 HA LEU 28 -15.541 -1.307 0.460 243 1HB LEU 28 HB2 LEU 28 -12.934 -0.047 -0.370 244 2HB LEU 28 HB1 LEU 28 -13.173 -0.567 1.296 245 HG LEU 28 HG LEU 28 -13.616 -2.360 -1.111 246 1HD1 LEU 28 HD13 LEU 28 -11.175 -1.668 0.438 247 2HD1 LEU 28 HD12 LEU 28 -11.419 -3.377 0.075 248 3HD1 LEU 28 HD11 LEU 28 -11.334 -2.200 -1.236 249 1HD2 LEU 28 HD21 LEU 28 -14.097 -2.616 1.760 250 2HD2 LEU 28 HD23 LEU 28 -14.601 -3.674 0.443 251 3HD2 LEU 28 HD22 LEU 28 -13.006 -3.867 1.168 252 H GLY 29 HN GLY 29 -16.118 1.740 -0.537 253 1HA GLY 29 HA2 GLY 29 -17.109 3.499 0.676 254 2HA GLY 29 HA1 GLY 29 -16.713 2.635 2.152 255 H PHE 30 HN PHE 30 -14.842 4.119 -0.526 256 HA PHE 30 HA PHE 30 -13.432 5.791 1.471 257 1HB PHE 30 HB2 PHE 30 -12.084 3.726 -0.280 258 2HB PHE 30 HB1 PHE 30 -11.211 5.097 0.386 259 HD1 PHE 30 HD1 PHE 30 -11.575 5.477 2.986 260 HD2 PHE 30 HD2 PHE 30 -12.167 1.749 0.932 261 HE1 PHE 30 HE1 PHE 30 -11.267 4.245 5.116 262 HE2 PHE 30 HE2 PHE 30 -11.873 0.524 3.067 263 HZ PHE 30 HZ PHE 30 -11.422 1.773 5.161 264 H ASN 31 HN ASN 31 -12.672 7.733 0.542 265 HA ASN 31 HA ASN 31 -12.651 7.982 -2.402 266 1HB ASN 31 HB2 ASN 31 -15.007 8.457 -1.652 267 2HB ASN 31 HB1 ASN 31 -14.376 9.809 -0.710 268 1HD2 ASN 31 HD22 ASN 31 -15.108 11.624 -3.715 269 2HD2 ASN 31 HD21 ASN 31 -15.721 11.219 -2.185 270 H ASN 32 HN ASN 32 -10.709 8.244 -0.097 271 HA ASN 32 HA ASN 32 -9.738 10.983 -0.772 272 1HB ASN 32 HB2 ASN 32 -8.837 10.657 1.765 273 2HB ASN 32 HB1 ASN 32 -10.336 11.492 1.365 274 1HD2 ASN 32 HD22 ASN 32 -10.743 7.561 2.520 275 2HD2 ASN 32 HD21 ASN 32 -9.457 7.990 1.497 276 H VAL 33 HN VAL 33 -8.045 10.284 -2.111 277 HA VAL 33 HA VAL 33 -5.833 8.893 -0.712 278 HB VAL 33 HB VAL 33 -5.669 7.087 -2.133 279 1HG1 VAL 33 HG13 VAL 33 -7.919 7.013 -1.065 280 2HG1 VAL 33 HG12 VAL 33 -8.594 7.761 -2.511 281 3HG1 VAL 33 HG11 VAL 33 -7.862 6.160 -2.605 282 1HG2 VAL 33 HG23 VAL 33 -6.915 8.885 -4.221 283 2HG2 VAL 33 HG22 VAL 33 -5.311 8.146 -4.226 284 3HG2 VAL 33 HG21 VAL 33 -6.739 7.152 -4.478 285 H GLU 34 HN GLU 34 -3.908 8.785 -2.434 286 HA GLU 34 HA GLU 34 -3.919 11.216 -4.138 287 1HB GLU 34 HB2 GLU 34 -1.962 10.629 -1.902 288 2HB GLU 34 HB1 GLU 34 -1.540 11.677 -3.254 289 1HG GLU 34 HG2 GLU 34 -3.953 12.751 -2.536 290 2HG GLU 34 HG1 GLU 34 -3.380 12.177 -0.977 291 H GLU 35 HN GLU 35 -1.429 11.119 -5.179 292 HA GLU 35 HA GLU 35 -1.005 8.294 -6.033 293 1HB GLU 35 HB2 GLU 35 -1.448 10.687 -7.834 294 2HB GLU 35 HB1 GLU 35 -0.777 9.161 -8.399 295 1HG GLU 35 HG2 GLU 35 -2.828 8.255 -8.549 296 2HG GLU 35 HG1 GLU 35 -3.189 8.680 -6.882 297 H ALA 36 HN ALA 36 1.059 7.918 -7.019 298 HA ALA 36 HA ALA 36 3.056 10.087 -6.948 299 1HB ALA 36 HB1 ALA 36 2.804 8.240 -4.781 300 2HB ALA 36 HB3 ALA 36 4.278 7.844 -5.661 301 3HB ALA 36 HB2 ALA 36 4.043 9.469 -5.021 302 H GLU 37 HN GLU 37 5.332 8.716 -7.503 303 HA GLU 37 HA GLU 37 4.687 6.606 -9.477 304 1HB GLU 37 HB2 GLU 37 5.631 7.738 -11.349 305 2HB GLU 37 HB1 GLU 37 4.533 8.899 -10.601 306 1HG GLU 37 HG2 GLU 37 6.654 9.628 -9.244 307 2HG GLU 37 HG1 GLU 37 7.538 8.836 -10.548 308 H ASP 38 HN ASP 38 6.456 7.318 -6.937 309 HA ASP 38 HA ASP 38 8.488 5.399 -7.441 310 1HB ASP 38 HB2 ASP 38 9.049 8.026 -8.523 311 2HB ASP 38 HB1 ASP 38 10.201 7.636 -7.245 312 H GLY 39 HN GLY 39 10.410 5.867 -5.728 313 1HA GLY 39 HA2 GLY 39 9.060 6.109 -3.178 314 2HA GLY 39 HA1 GLY 39 10.800 5.920 -3.398 315 H VAL 40 HN VAL 40 11.199 8.214 -5.074 316 HA VAL 40 HA VAL 40 11.475 10.258 -3.102 317 HB VAL 40 HB VAL 40 12.716 10.095 -5.327 318 1HG1 VAL 40 HG13 VAL 40 10.371 9.872 -6.512 319 2HG1 VAL 40 HG12 VAL 40 10.413 11.635 -6.487 320 3HG1 VAL 40 HG11 VAL 40 11.682 10.734 -7.316 321 1HG2 VAL 40 HG23 VAL 40 12.736 12.109 -3.830 322 2HG2 VAL 40 HG22 VAL 40 12.927 12.512 -5.537 323 3HG2 VAL 40 HG21 VAL 40 11.370 12.752 -4.743 324 H ASP 41 HN ASP 41 8.894 9.402 -5.323 325 HA ASP 41 HA ASP 41 7.365 11.848 -4.831 326 1HB ASP 41 HB2 ASP 41 7.333 10.260 -6.911 327 2HB ASP 41 HB1 ASP 41 6.219 9.302 -5.942 328 H ALA 42 HN ALA 42 7.120 8.410 -3.868 329 HA ALA 42 HA ALA 42 4.776 8.773 -2.263 330 1HB ALA 42 HB3 ALA 42 6.202 6.605 -3.086 331 2HB ALA 42 HB2 ALA 42 6.699 6.703 -1.397 332 3HB ALA 42 HB1 ALA 42 4.991 6.552 -1.805 333 H LEU 43 HN LEU 43 8.248 8.872 -1.448 334 HA LEU 43 HA LEU 43 7.869 9.206 1.368 335 1HB LEU 43 HB2 LEU 43 10.114 9.686 -0.542 336 2HB LEU 43 HB1 LEU 43 10.213 10.431 1.052 337 HG LEU 43 HG LEU 43 9.441 7.542 0.858 338 1HD1 LEU 43 HD11 LEU 43 12.153 8.726 0.343 339 2HD1 LEU 43 HD13 LEU 43 12.025 7.182 1.186 340 3HD1 LEU 43 HD12 LEU 43 11.370 7.354 -0.442 341 1HD2 LEU 43 HD22 LEU 43 9.627 9.187 2.954 342 2HD2 LEU 43 HD21 LEU 43 10.091 7.491 3.079 343 3HD2 LEU 43 HD23 LEU 43 11.327 8.728 2.853 344 H ASN 44 HN ASN 44 8.697 11.706 -1.085 345 HA ASN 44 HA ASN 44 8.421 13.927 0.629 346 1HB ASN 44 HB2 ASN 44 8.243 13.498 -2.309 347 2HB ASN 44 HB1 ASN 44 7.573 15.005 -1.687 348 1HD2 ASN 44 HD22 ASN 44 11.509 14.783 -2.125 349 2HD2 ASN 44 HD21 ASN 44 10.387 13.794 -2.927 350 H LYS 45 HN LYS 45 5.940 11.992 -0.925 351 HA LYS 45 HA LYS 45 3.838 13.934 -0.202 352 1HB LYS 45 HB2 LYS 45 3.701 11.209 -1.523 353 2HB LYS 45 HB1 LYS 45 2.314 12.265 -1.257 354 1HG LYS 45 HG2 LYS 45 4.687 13.454 -2.614 355 2HG LYS 45 HG1 LYS 45 3.710 12.318 -3.544 356 1HD LYS 45 HD2 LYS 45 1.715 13.628 -3.182 357 2HD LYS 45 HD1 LYS 45 2.555 14.684 -2.046 358 1HE LYS 45 HE2 LYS 45 3.335 14.376 -4.958 359 2HE LYS 45 HE1 LYS 45 2.306 15.671 -4.346 360 1HZ LYS 45 HZ3 LYS 45 4.701 15.358 -2.815 361 2HZ LYS 45 HZ2 LYS 45 5.028 15.697 -4.447 362 3HZ LYS 45 HZ1 LYS 45 4.055 16.751 -3.536 363 H LEU 46 HN LEU 46 5.099 10.844 0.947 364 HA LEU 46 HA LEU 46 2.962 10.010 2.570 365 1HB LEU 46 HB2 LEU 46 5.747 9.385 2.332 366 2HB LEU 46 HB1 LEU 46 5.380 9.589 4.038 367 HG LEU 46 HG LEU 46 5.050 7.253 3.384 368 1HD1 LEU 46 HD13 LEU 46 3.122 8.895 4.638 369 2HD1 LEU 46 HD12 LEU 46 2.231 7.790 3.591 370 3HD1 LEU 46 HD11 LEU 46 3.326 7.152 4.816 371 1HD2 LEU 46 HD22 LEU 46 3.814 8.472 1.057 372 2HD2 LEU 46 HD21 LEU 46 4.333 6.806 1.297 373 3HD2 LEU 46 HD23 LEU 46 2.725 7.311 1.809 374 H GLN 47 HN GLN 47 5.504 12.390 3.276 375 HA GLN 47 HA GLN 47 4.701 12.856 5.997 376 1HB GLN 47 HB2 GLN 47 6.121 14.819 5.884 377 2HB GLN 47 HB1 GLN 47 6.918 13.507 5.015 378 1HG GLN 47 HG2 GLN 47 5.507 14.566 2.981 379 2HG GLN 47 HG1 GLN 47 5.713 16.016 3.964 380 1HE2 GLN 47 HE22 GLN 47 8.969 16.446 2.717 381 2HE2 GLN 47 HE21 GLN 47 7.492 17.149 3.174 382 H ALA 48 HN ALA 48 3.214 13.665 3.050 383 HA ALA 48 HA ALA 48 2.116 16.181 3.371 384 1HB ALA 48 HB2 ALA 48 1.633 14.693 1.446 385 2HB ALA 48 HB1 ALA 48 0.595 13.715 2.482 386 3HB ALA 48 HB3 ALA 48 0.160 15.385 2.124 387 H GLY 49 HN GLY 49 0.392 13.230 4.482 388 1HA GLY 49 HA2 GLY 49 -0.381 14.698 6.949 389 2HA GLY 49 HA1 GLY 49 -1.676 14.090 5.916 390 H GLY 50 HN GLY 50 0.996 12.055 5.710 391 1HA GLY 50 HA2 GLY 50 1.523 9.995 6.733 392 2HA GLY 50 HA1 GLY 50 0.520 10.475 8.105 393 OH TYR 51 OH TYR 51 -1.264 12.042 -0.034 394 H TYR 51 HN TYR 51 0.467 9.006 4.909 395 HA TYR 51 HA TYR 51 -2.361 8.553 4.799 396 1HB TYR 51 HB2 TYR 51 -0.022 7.183 3.462 397 2HB TYR 51 HB1 TYR 51 -1.700 6.803 3.101 398 HD1 TYR 51 HD1 TYR 51 0.766 9.572 3.196 399 HD2 TYR 51 HD2 TYR 51 -2.987 8.177 1.657 400 HE1 TYR 51 HE1 TYR 51 0.664 11.520 1.676 401 HE2 TYR 51 HE2 TYR 51 -3.089 10.131 0.132 402 HH TYR 51 HH TYR 51 -0.366 12.351 -0.172 403 H GLY 52 HN GLY 52 -3.383 7.392 6.352 404 1HA GLY 52 HA2 GLY 52 -2.212 5.490 8.073 405 2HA GLY 52 HA1 GLY 52 -3.925 5.540 7.684 406 H PHE 53 HN PHE 53 -2.740 5.304 4.731 407 HA PHE 53 HA PHE 53 -2.086 2.409 4.788 408 1HB PHE 53 HB2 PHE 53 -4.687 3.343 4.433 409 2HB PHE 53 HB1 PHE 53 -4.129 2.990 2.807 410 HD1 PHE 53 HD1 PHE 53 -4.349 1.526 6.248 411 HD2 PHE 53 HD2 PHE 53 -4.050 0.785 2.039 412 HE1 PHE 53 HE1 PHE 53 -4.768 -0.872 6.634 413 HE2 PHE 53 HE2 PHE 53 -4.479 -1.600 2.415 414 HZ PHE 53 HZ PHE 53 -4.817 -2.455 4.720 415 H VAL 54 HN VAL 54 -0.504 2.055 3.285 416 HA VAL 54 HA VAL 54 -0.388 3.903 0.926 417 HB VAL 54 HB VAL 54 1.924 2.715 2.478 418 1HG1 VAL 54 HG13 VAL 54 1.776 4.281 -0.110 419 2HG1 VAL 54 HG12 VAL 54 3.250 4.183 0.852 420 3HG1 VAL 54 HG11 VAL 54 2.547 2.719 0.164 421 1HG2 VAL 54 HG21 VAL 54 0.748 4.716 3.467 422 2HG2 VAL 54 HG23 VAL 54 2.432 5.020 3.042 423 3HG2 VAL 54 HG22 VAL 54 1.140 5.606 1.997 424 H ILE 55 HN ILE 55 -0.750 2.855 -0.908 425 HA ILE 55 HA ILE 55 -0.247 -0.083 -1.025 426 HB ILE 55 HB ILE 55 -1.850 1.654 -2.928 427 1HG1 ILE 55 HG12 ILE 55 -2.890 -0.197 -0.763 428 2HG1 ILE 55 HG11 ILE 55 -2.742 1.546 -0.548 429 1HG2 ILE 55 HG23 ILE 55 -1.678 -1.349 -2.526 430 2HG2 ILE 55 HG22 ILE 55 -2.767 -0.534 -3.647 431 3HG2 ILE 55 HG21 ILE 55 -1.023 -0.450 -3.895 432 1HD1 ILE 55 HD12 ILE 55 -4.102 0.761 -3.038 433 2HD1 ILE 55 HD11 ILE 55 -4.959 0.290 -1.570 434 3HD1 ILE 55 HD13 ILE 55 -4.549 1.983 -1.848 435 H SER 56 HN SER 56 1.513 -0.736 -2.139 436 HA SER 56 HA SER 56 2.479 0.914 -4.423 437 1HB SER 56 HB2 SER 56 4.737 0.897 -3.646 438 2HB SER 56 HB1 SER 56 3.770 1.396 -2.261 439 HG SER 56 HG SER 56 5.380 -0.333 -1.924 440 H ASP 57 HN ASP 57 4.135 -0.402 -5.718 441 HA ASP 57 HA ASP 57 3.039 -3.107 -6.054 442 1HB ASP 57 HB2 ASP 57 3.474 -1.935 -8.095 443 2HB ASP 57 HB1 ASP 57 5.096 -1.482 -7.572 444 CH2 TRP 58 CH2 TRP 58 9.753 -6.615 -0.673 445 H TRP 58 HN TRP 58 6.430 -2.617 -6.666 446 HA TRP 58 HA TRP 58 7.449 -3.600 -4.162 447 1HB TRP 58 HB2 TRP 58 6.332 -5.679 -4.911 448 2HB TRP 58 HB1 TRP 58 7.262 -5.633 -6.408 449 HD1 TRP 58 HD1 TRP 58 9.460 -6.909 -6.365 450 HE1 TRP 58 HE1 TRP 58 11.046 -7.796 -4.535 451 HE3 TRP 58 HE3 TRP 58 7.153 -5.034 -2.213 452 HZ2 TRP 58 HZ2 TRP 58 11.301 -7.720 -1.684 453 HZ3 TRP 58 HZ3 TRP 58 8.087 -5.456 0.042 454 HH2 TRP 58 HH2 TRP 58 10.154 -6.798 0.314 455 H ASN 59 HN ASN 59 8.993 -5.198 -6.715 456 HA ASN 59 HA ASN 59 11.145 -3.168 -6.699 457 1HB ASN 59 HB2 ASN 59 11.615 -5.637 -6.410 458 2HB ASN 59 HB1 ASN 59 11.113 -5.862 -8.087 459 1HD2 ASN 59 HD22 ASN 59 13.977 -4.062 -9.399 460 2HD2 ASN 59 HD21 ASN 59 12.322 -4.296 -9.691 461 H MET 60 HN MET 60 11.386 -1.739 -8.340 462 HA MET 60 HA MET 60 11.081 -2.280 -11.080 463 1HB MET 60 HB2 MET 60 8.541 -1.927 -9.793 464 2HB MET 60 HB1 MET 60 8.827 -0.560 -10.869 465 1HG MET 60 HG2 MET 60 9.269 -2.053 -12.735 466 2HG MET 60 HG1 MET 60 9.147 -3.462 -11.683 467 1HE MET 60 HE1 MET 60 7.445 -0.272 -12.877 468 2HE MET 60 HE3 MET 60 7.344 -1.411 -14.227 469 3HE MET 60 HE2 MET 60 5.875 -0.842 -13.438 470 HA PRO 61 HA PRO 61 11.194 2.501 -10.434 471 1HB PRO 61 HB2 PRO 61 11.650 3.048 -7.648 472 2HB PRO 61 HB1 PRO 61 10.284 3.560 -8.647 473 1HG PRO 61 HG2 PRO 61 10.263 1.597 -6.562 474 2HG PRO 61 HG1 PRO 61 8.925 2.044 -7.628 475 1HD PRO 61 HD2 PRO 61 10.528 -0.365 -7.658 476 2HD PRO 61 HD1 PRO 61 9.099 0.018 -8.634 477 H ASN 62 HN ASN 62 13.121 3.924 -9.127 478 HA ASN 62 HA ASN 62 15.562 2.946 -10.042 479 1HB ASN 62 HB2 ASN 62 16.405 4.343 -7.873 480 2HB ASN 62 HB1 ASN 62 15.850 5.111 -9.360 481 1HD2 ASN 62 HD22 ASN 62 12.969 4.819 -6.438 482 2HD2 ASN 62 HD21 ASN 62 13.929 3.466 -6.795 483 H MET 63 HN MET 63 15.272 3.177 -6.526 484 HA MET 63 HA MET 63 16.936 0.848 -6.141 485 1HB MET 63 HB2 MET 63 15.141 2.229 -4.123 486 2HB MET 63 HB1 MET 63 16.517 1.184 -3.765 487 1HG MET 63 HG2 MET 63 16.724 3.772 -5.330 488 2HG MET 63 HG1 MET 63 17.046 3.637 -3.602 489 1HE MET 63 HE3 MET 63 19.392 4.536 -3.749 490 2HE MET 63 HE2 MET 63 20.615 4.028 -4.911 491 3HE MET 63 HE1 MET 63 19.151 4.829 -5.478 492 H ASP 64 HN ASP 64 14.540 0.519 -3.880 493 HA ASP 64 HA ASP 64 12.872 -1.327 -5.496 494 1HB ASP 64 HB2 ASP 64 13.193 -2.950 -3.418 495 2HB ASP 64 HB1 ASP 64 14.337 -2.974 -4.761 496 H GLY 65 HN GLY 65 10.791 -1.653 -4.563 497 1HA GLY 65 HA2 GLY 65 9.749 0.462 -3.007 498 2HA GLY 65 HA1 GLY 65 8.940 -1.081 -3.224 499 H LEU 66 HN LEU 66 11.763 -2.061 -1.992 500 HA LEU 66 HA LEU 66 10.648 -2.404 0.675 501 1HB LEU 66 HB2 LEU 66 12.579 -3.734 -0.820 502 2HB LEU 66 HB1 LEU 66 13.514 -2.941 0.449 503 HG LEU 66 HG LEU 66 11.091 -4.717 0.873 504 1HD1 LEU 66 HD11 LEU 66 14.049 -5.103 1.414 505 2HD1 LEU 66 HD13 LEU 66 12.787 -6.165 2.036 506 3HD1 LEU 66 HD12 LEU 66 13.045 -6.029 0.298 507 1HD2 LEU 66 HD21 LEU 66 12.555 -2.811 2.603 508 2HD2 LEU 66 HD23 LEU 66 10.912 -3.435 2.756 509 3HD2 LEU 66 HD22 LEU 66 12.277 -4.401 3.313 510 H GLU 67 HN GLU 67 13.739 -0.875 -0.379 511 HA GLU 67 HA GLU 67 14.238 0.497 2.034 512 1HB GLU 67 HB2 GLU 67 14.886 1.108 -0.852 513 2HB GLU 67 HB1 GLU 67 15.358 2.213 0.434 514 1HG GLU 67 HG2 GLU 67 15.989 -0.637 0.921 515 2HG GLU 67 HG1 GLU 67 16.898 0.130 -0.383 516 H LEU 68 HN LEU 68 11.955 1.034 -0.496 517 HA LEU 68 HA LEU 68 11.233 3.769 0.116 518 1HB LEU 68 HB2 LEU 68 10.769 2.284 -1.991 519 2HB LEU 68 HB1 LEU 68 9.381 1.709 -1.079 520 HG LEU 68 HG LEU 68 9.954 4.629 -1.640 521 1HD1 LEU 68 HD11 LEU 68 8.493 2.509 -3.167 522 2HD1 LEU 68 HD13 LEU 68 7.804 4.132 -3.145 523 3HD1 LEU 68 HD12 LEU 68 9.434 3.872 -3.770 524 1HD2 LEU 68 HD21 LEU 68 7.836 3.130 -0.169 525 2HD2 LEU 68 HD23 LEU 68 8.453 4.760 0.095 526 3HD2 LEU 68 HD22 LEU 68 7.292 4.451 -1.194 527 H LEU 69 HN LEU 69 10.252 0.592 1.194 528 HA LEU 69 HA LEU 69 8.041 1.587 2.858 529 1HB LEU 69 HB2 LEU 69 7.689 -0.527 1.816 530 2HB LEU 69 HB1 LEU 69 9.293 -1.088 2.259 531 HG LEU 69 HG LEU 69 8.529 -1.058 4.688 532 1HD1 LEU 69 HD12 LEU 69 6.263 0.214 3.495 533 2HD1 LEU 69 HD11 LEU 69 5.741 -1.320 4.186 534 3HD1 LEU 69 HD13 LEU 69 6.550 -0.126 5.199 535 1HD2 LEU 69 HD21 LEU 69 8.306 -3.021 2.837 536 2HD2 LEU 69 HD23 LEU 69 7.814 -3.213 4.514 537 3HD2 LEU 69 HD22 LEU 69 6.617 -2.825 3.286 538 H LYS 70 HN LYS 70 11.051 -0.253 3.478 539 HA LYS 70 HA LYS 70 11.158 -0.196 6.229 540 1HB LYS 70 HB2 LYS 70 12.888 -1.211 4.746 541 2HB LYS 70 HB1 LYS 70 13.512 0.404 4.413 542 1HG LYS 70 HG2 LYS 70 14.293 0.695 6.605 543 2HG LYS 70 HG1 LYS 70 13.220 -0.545 7.256 544 1HD LYS 70 HD2 LYS 70 14.510 -2.282 6.050 545 2HD LYS 70 HD1 LYS 70 15.600 -1.035 5.440 546 1HE LYS 70 HE2 LYS 70 16.492 -0.595 7.567 547 2HE LYS 70 HE1 LYS 70 15.117 -1.322 8.397 548 1HZ LYS 70 HZ2 LYS 70 16.926 -2.897 6.666 549 2HZ LYS 70 HZ1 LYS 70 17.233 -2.668 8.321 550 3HZ LYS 70 HZ3 LYS 70 15.821 -3.464 7.825 551 H THR 71 HN THR 71 12.236 2.462 4.083 552 HA THR 71 HA THR 71 13.142 4.251 6.048 553 HB THR 71 HB THR 71 11.495 5.041 3.628 554 HG1 THR 71 HG1 THR 71 13.246 4.713 2.441 555 1HG2 THR 71 HG21 THR 71 12.069 6.810 5.315 556 2HG2 THR 71 HG23 THR 71 13.775 6.455 5.035 557 3HG2 THR 71 HG22 THR 71 12.780 7.092 3.725 558 H ILE 72 HN ILE 72 9.807 3.805 4.847 559 HA ILE 72 HA ILE 72 8.526 5.757 6.425 560 HB ILE 72 HB ILE 72 7.457 2.994 5.774 561 1HG1 ILE 72 HG12 ILE 72 7.215 5.554 4.160 562 2HG1 ILE 72 HG11 ILE 72 8.380 4.284 3.802 563 1HG2 ILE 72 HG23 ILE 72 6.364 5.245 7.168 564 2HG2 ILE 72 HG22 ILE 72 5.508 5.075 5.636 565 3HG2 ILE 72 HG21 ILE 72 5.572 3.722 6.764 566 1HD1 ILE 72 HD11 ILE 72 6.245 2.723 3.839 567 2HD1 ILE 72 HD13 ILE 72 5.391 4.237 3.542 568 3HD1 ILE 72 HD12 ILE 72 6.616 3.678 2.406 569 NH1 ARG 73 NH2 ARG 73 13.500 -0.967 10.399 570 NH2 ARG 73 NH1 ARG 73 12.787 -2.767 9.234 571 H ARG 73 HN ARG 73 9.544 2.465 7.259 572 HA ARG 73 HA ARG 73 8.433 2.689 9.973 573 1HB ARG 73 HB2 ARG 73 8.482 0.499 8.848 574 2HB ARG 73 HB1 ARG 73 10.239 0.594 8.725 575 1HG ARG 73 HG2 ARG 73 9.260 1.046 11.450 576 2HG ARG 73 HG1 ARG 73 8.845 -0.550 10.826 577 1HD ARG 73 HD2 ARG 73 11.624 0.665 10.832 578 2HD ARG 73 HD1 ARG 73 11.046 -0.570 11.951 579 HE ARG 73 HE ARG 73 10.602 -1.608 9.385 580 1HH1 ARG 73 HH21 ARG 73 13.301 -0.115 10.883 581 2HH1 ARG 73 HH22 ARG 73 14.443 -1.291 10.324 582 1HH2 ARG 73 HH11 ARG 73 12.042 -3.294 8.825 583 2HH2 ARG 73 HH12 ARG 73 13.730 -3.092 9.158 584 H ALA 74 HN ALA 74 11.411 3.404 8.359 585 HA ALA 74 HA ALA 74 13.067 3.285 10.762 586 1HB ALA 74 HB3 ALA 74 13.825 3.068 8.288 587 2HB ALA 74 HB2 ALA 74 13.751 4.831 8.266 588 3HB ALA 74 HB1 ALA 74 14.838 4.009 9.384 589 H ASP 75 HN ASP 75 11.132 5.702 9.110 590 HA ASP 75 HA ASP 75 12.211 8.076 10.153 591 1HB ASP 75 HB2 ASP 75 10.122 7.626 8.592 592 2HB ASP 75 HB1 ASP 75 9.231 7.730 10.110 593 H GLY 76 HN GLY 76 9.320 6.523 11.584 594 1HA GLY 76 HA2 GLY 76 9.692 5.816 14.048 595 2HA GLY 76 HA1 GLY 76 10.262 7.470 14.260 596 H ALA 77 HN ALA 77 8.587 9.133 13.244 597 HA ALA 77 HA ALA 77 6.300 9.219 14.822 598 1HB ALA 77 HB1 ALA 77 7.342 10.737 12.705 599 2HB ALA 77 HB3 ALA 77 5.716 10.294 12.186 600 3HB ALA 77 HB2 ALA 77 5.953 11.150 13.709 601 H MET 78 HN MET 78 6.827 7.353 11.913 602 HA MET 78 HA MET 78 3.961 6.684 11.679 603 1HB MET 78 HB2 MET 78 6.425 5.949 10.094 604 2HB MET 78 HB1 MET 78 4.871 5.162 9.815 605 1HG MET 78 HG2 MET 78 5.134 7.057 8.281 606 2HG MET 78 HG1 MET 78 3.836 7.387 9.430 607 1HE MET 78 HE2 MET 78 7.235 8.234 8.042 608 2HE MET 78 HE1 MET 78 5.908 9.273 7.531 609 3HE MET 78 HE3 MET 78 7.267 9.950 8.439 610 H SER 79 HN SER 79 7.018 5.115 12.550 611 HA SER 79 HA SER 79 7.369 3.259 13.961 612 1HB SER 79 HB2 SER 79 4.992 4.185 14.882 613 2HB SER 79 HB1 SER 79 4.482 2.626 14.241 614 HG SER 79 HG SER 79 6.701 3.014 15.971 615 H ALA 80 HN ALA 80 4.389 2.682 12.043 616 HA ALA 80 HA ALA 80 5.838 0.635 10.493 617 1HB ALA 80 HB2 ALA 80 4.921 -0.541 12.511 618 2HB ALA 80 HB1 ALA 80 3.304 -0.049 12.007 619 3HB ALA 80 HB3 ALA 80 4.252 -1.138 10.993 620 H LEU 81 HN LEU 81 2.573 1.893 11.146 621 HA LEU 81 HA LEU 81 0.914 2.659 9.727 622 1HB LEU 81 HB2 LEU 81 2.937 4.084 9.022 623 2HB LEU 81 HB1 LEU 81 3.033 3.005 7.642 624 HG LEU 81 HG LEU 81 0.574 3.507 7.207 625 1HD1 LEU 81 HD13 LEU 81 1.120 5.368 9.492 626 2HD1 LEU 81 HD12 LEU 81 0.094 5.946 8.185 627 3HD1 LEU 81 HD11 LEU 81 -0.354 4.498 9.079 628 1HD2 LEU 81 HD23 LEU 81 2.926 5.177 6.742 629 2HD2 LEU 81 HD22 LEU 81 1.646 4.706 5.625 630 3HD2 LEU 81 HD21 LEU 81 1.425 6.101 6.681 631 HA PRO 82 HA PRO 82 0.255 -1.340 7.701 632 1HB PRO 82 HB2 PRO 82 -2.226 -0.431 6.579 633 2HB PRO 82 HB1 PRO 82 -1.984 -1.567 7.903 634 1HG PRO 82 HG2 PRO 82 -2.940 1.131 8.075 635 2HG PRO 82 HG1 PRO 82 -2.644 0.010 9.406 636 1HD PRO 82 HD2 PRO 82 -1.110 2.334 8.687 637 2HD PRO 82 HD1 PRO 82 -0.819 1.201 10.025 638 H VAL 83 HN VAL 83 0.958 -1.983 5.759 639 HA VAL 83 HA VAL 83 0.639 -0.174 3.394 640 HB VAL 83 HB VAL 83 3.068 -1.665 4.373 641 1HG1 VAL 83 HG11 VAL 83 2.226 -1.214 1.496 642 2HG1 VAL 83 HG13 VAL 83 3.929 -1.278 1.941 643 3HG1 VAL 83 HG12 VAL 83 2.898 -2.675 2.226 644 1HG2 VAL 83 HG21 VAL 83 2.409 0.983 4.290 645 2HG2 VAL 83 HG23 VAL 83 4.064 0.383 4.233 646 3HG2 VAL 83 HG22 VAL 83 3.228 0.797 2.739 647 H LEU 84 HN LEU 84 -0.404 -1.180 1.773 648 HA LEU 84 HA LEU 84 -0.516 -4.140 1.898 649 1HB LEU 84 HB2 LEU 84 -2.696 -2.977 2.089 650 2HB LEU 84 HB1 LEU 84 -2.425 -2.244 0.510 651 HG LEU 84 HG LEU 84 -2.334 -4.502 -0.508 652 1HD1 LEU 84 HD11 LEU 84 -2.527 -5.293 2.366 653 2HD1 LEU 84 HD13 LEU 84 -3.373 -6.294 1.187 654 3HD1 LEU 84 HD12 LEU 84 -1.632 -6.053 1.051 655 1HD2 LEU 84 HD21 LEU 84 -4.670 -3.397 0.921 656 2HD2 LEU 84 HD23 LEU 84 -4.507 -3.878 -0.765 657 3HD2 LEU 84 HD22 LEU 84 -4.823 -5.094 0.472 658 H MET 85 HN MET 85 1.701 -3.853 0.913 659 HA MET 85 HA MET 85 2.037 -2.802 -1.697 660 1HB MET 85 HB2 MET 85 4.157 -3.831 -1.700 661 2HB MET 85 HB1 MET 85 3.832 -3.571 0.012 662 1HG MET 85 HG2 MET 85 2.867 -5.948 0.031 663 2HG MET 85 HG1 MET 85 3.622 -6.150 -1.551 664 1HE MET 85 HE3 MET 85 4.638 -8.199 -0.330 665 2HE MET 85 HE2 MET 85 5.693 -7.520 -1.566 666 3HE MET 85 HE1 MET 85 6.375 -8.051 -0.032 667 H VAL 86 HN VAL 86 1.210 -3.568 -3.614 668 HA VAL 86 HA VAL 86 0.079 -6.303 -3.658 669 HB VAL 86 HB VAL 86 -1.367 -5.544 -5.299 670 1HG1 VAL 86 HG11 VAL 86 -1.620 -4.238 -3.168 671 2HG1 VAL 86 HG13 VAL 86 -0.661 -2.959 -3.902 672 3HG1 VAL 86 HG12 VAL 86 -2.221 -3.390 -4.587 673 1HG2 VAL 86 HG21 VAL 86 0.730 -3.490 -5.980 674 2HG2 VAL 86 HG23 VAL 86 0.160 -4.820 -6.989 675 3HG2 VAL 86 HG22 VAL 86 -0.899 -3.457 -6.649 676 H THR 87 HN THR 87 1.154 -7.932 -4.766 677 HA THR 87 HA THR 87 2.886 -7.169 -7.045 678 HB THR 87 HB THR 87 4.425 -7.005 -5.169 679 HG1 THR 87 HG1 THR 87 4.904 -8.269 -7.204 680 1HG2 THR 87 HG22 THR 87 3.067 -8.444 -3.630 681 2HG2 THR 87 HG21 THR 87 3.649 -9.857 -4.511 682 3HG2 THR 87 HG23 THR 87 4.786 -8.839 -3.627 683 H ALA 88 HN ALA 88 2.935 -8.755 -8.597 684 HA ALA 88 HA ALA 88 1.329 -11.179 -8.069 685 1HB ALA 88 HB1 ALA 88 1.943 -9.555 -10.375 686 2HB ALA 88 HB3 ALA 88 2.369 -11.235 -10.701 687 3HB ALA 88 HB2 ALA 88 0.726 -10.821 -10.210 688 H GLU 89 HN GLU 89 4.605 -10.225 -8.117 689 HA GLU 89 HA GLU 89 5.547 -13.012 -8.612 690 1HB GLU 89 HB2 GLU 89 7.290 -10.575 -8.237 691 2HB GLU 89 HB1 GLU 89 7.694 -12.096 -9.034 692 1HG GLU 89 HG2 GLU 89 5.997 -11.592 -10.788 693 2HG GLU 89 HG1 GLU 89 5.699 -10.034 -10.017 694 H ALA 90 HN ALA 90 4.190 -12.272 -6.127 695 HA ALA 90 HA ALA 90 6.047 -11.762 -4.015 696 1HB ALA 90 HB1 ALA 90 3.307 -12.158 -4.198 697 2HB ALA 90 HB3 ALA 90 3.857 -13.563 -3.286 698 3HB ALA 90 HB2 ALA 90 4.212 -11.937 -2.701 699 H LYS 91 HN LYS 91 7.789 -13.025 -3.577 700 HA LYS 91 HA LYS 91 7.626 -15.944 -4.126 701 1HB LYS 91 HB2 LYS 91 9.560 -14.481 -4.963 702 2HB LYS 91 HB1 LYS 91 10.082 -14.399 -3.280 703 1HG LYS 91 HG2 LYS 91 11.262 -16.269 -3.959 704 2HG LYS 91 HG1 LYS 91 9.768 -17.040 -3.425 705 1HD LYS 91 HD2 LYS 91 10.027 -17.981 -5.541 706 2HD LYS 91 HD1 LYS 91 8.998 -16.596 -5.906 707 1HE LYS 91 HE2 LYS 91 11.384 -15.391 -6.132 708 2HE LYS 91 HE1 LYS 91 11.878 -17.035 -6.535 709 1HZ LYS 91 HZ1 LYS 91 9.996 -17.067 -8.146 710 2HZ LYS 91 HZ3 LYS 91 9.782 -15.409 -7.859 711 3HZ LYS 91 HZ2 LYS 91 11.235 -15.972 -8.535 712 H LYS 92 HN LYS 92 10.044 -15.647 -1.981 713 HA LYS 92 HA LYS 92 8.267 -16.226 0.363 714 1HB LYS 92 HB2 LYS 92 9.450 -18.229 -0.342 715 2HB LYS 92 HB1 LYS 92 10.984 -17.358 -0.360 716 1HG LYS 92 HG2 LYS 92 11.185 -17.386 1.924 717 2HG LYS 92 HG1 LYS 92 9.444 -17.267 2.182 718 1HD LYS 92 HD2 LYS 92 9.109 -19.570 1.850 719 2HD LYS 92 HD1 LYS 92 10.648 -19.767 1.012 720 1HE LYS 92 HE2 LYS 92 10.418 -19.007 3.936 721 2HE LYS 92 HE1 LYS 92 10.639 -20.664 3.372 722 1HZ LYS 92 HZ2 LYS 92 12.485 -18.823 2.182 723 2HZ LYS 92 HZ1 LYS 92 12.625 -18.881 3.875 724 3HZ LYS 92 HZ3 LYS 92 12.782 -20.302 2.963 725 H GLU 93 HN GLU 93 11.758 -15.895 0.484 726 HA GLU 93 HA GLU 93 11.873 -14.247 2.705 727 1HB GLU 93 HB2 GLU 93 14.109 -13.490 1.831 728 2HB GLU 93 HB1 GLU 93 13.887 -15.240 1.808 729 1HG GLU 93 HG2 GLU 93 14.191 -15.286 -0.420 730 2HG GLU 93 HG1 GLU 93 12.879 -14.129 -0.647 731 H ASN 94 HN ASN 94 10.843 -13.371 -0.469 732 HA ASN 94 HA ASN 94 11.425 -10.546 -0.302 733 1HB ASN 94 HB2 ASN 94 10.247 -12.330 -2.195 734 2HB ASN 94 HB1 ASN 94 9.116 -11.005 -1.922 735 1HD2 ASN 94 HD22 ASN 94 12.878 -9.976 -3.256 736 2HD2 ASN 94 HD21 ASN 94 12.717 -11.277 -2.178 737 H ILE 95 HN ILE 95 8.686 -12.554 0.662 738 HA ILE 95 HA ILE 95 7.085 -10.208 1.418 739 HB ILE 95 HB ILE 95 6.558 -13.130 2.027 740 1HG1 ILE 95 HG12 ILE 95 5.627 -11.474 -0.340 741 2HG1 ILE 95 HG11 ILE 95 6.885 -12.707 -0.416 742 1HG2 ILE 95 HG22 ILE 95 5.271 -10.755 2.820 743 2HG2 ILE 95 HG21 ILE 95 4.273 -11.419 1.526 744 3HG2 ILE 95 HG23 ILE 95 4.637 -12.396 2.948 745 1HD1 ILE 95 HD11 ILE 95 5.241 -14.384 0.424 746 2HD1 ILE 95 HD13 ILE 95 3.990 -13.142 0.369 747 3HD1 ILE 95 HD12 ILE 95 4.762 -13.682 -1.122 748 H ILE 96 HN ILE 96 9.222 -12.528 2.965 749 HA ILE 96 HA ILE 96 8.375 -11.915 5.668 750 HB ILE 96 HB ILE 96 11.090 -12.971 4.882 751 1HG1 ILE 96 HG12 ILE 96 9.547 -14.329 3.633 752 2HG1 ILE 96 HG11 ILE 96 9.970 -15.249 5.077 753 1HG2 ILE 96 HG22 ILE 96 10.012 -12.363 7.321 754 2HG2 ILE 96 HG21 ILE 96 9.564 -14.062 7.164 755 3HG2 ILE 96 HG23 ILE 96 11.259 -13.585 7.068 756 1HD1 ILE 96 HD12 ILE 96 7.885 -14.181 6.152 757 2HD1 ILE 96 HD11 ILE 96 7.426 -13.725 4.511 758 3HD1 ILE 96 HD13 ILE 96 7.610 -15.427 4.934 759 H ALA 97 HN ALA 97 11.407 -11.121 3.953 760 HA ALA 97 HA ALA 97 12.499 -9.324 5.763 761 1HB ALA 97 HB2 ALA 97 13.603 -9.962 3.643 762 2HB ALA 97 HB1 ALA 97 12.437 -8.987 2.749 763 3HB ALA 97 HB3 ALA 97 13.579 -8.210 3.847 764 H ALA 98 HN ALA 98 10.006 -8.647 3.331 765 HA ALA 98 HA ALA 98 9.759 -5.854 3.955 766 1HB ALA 98 HB3 ALA 98 8.725 -7.504 2.027 767 2HB ALA 98 HB2 ALA 98 7.317 -7.246 3.054 768 3HB ALA 98 HB1 ALA 98 8.151 -5.867 2.342 769 H ALA 99 HN ALA 99 7.900 -8.716 5.036 770 HA ALA 99 HA ALA 99 6.018 -7.457 6.650 771 1HB ALA 99 HB1 ALA 99 6.205 -9.935 6.231 772 2HB ALA 99 HB3 ALA 99 7.505 -9.980 7.421 773 3HB ALA 99 HB2 ALA 99 5.877 -9.515 7.912 774 H GLN 100 HN GLN 100 9.339 -8.404 7.573 775 HA GLN 100 HA GLN 100 9.245 -7.514 10.257 776 1HB GLN 100 HB2 GLN 100 11.462 -7.781 8.241 777 2HB GLN 100 HB1 GLN 100 11.787 -7.074 9.823 778 1HG GLN 100 HG2 GLN 100 11.330 -9.050 10.955 779 2HG GLN 100 HG1 GLN 100 10.267 -9.652 9.683 780 1HE2 GLN 100 HE22 GLN 100 12.872 -11.231 7.885 781 2HE2 GLN 100 HE21 GLN 100 11.223 -10.830 7.930 782 H ALA 101 HN ALA 101 9.391 -5.692 7.292 783 HA ALA 101 HA ALA 101 10.230 -3.227 8.676 784 1HB ALA 101 HB2 ALA 101 9.595 -3.945 5.823 785 2HB ALA 101 HB1 ALA 101 9.647 -2.254 6.315 786 3HB ALA 101 HB3 ALA 101 11.077 -3.268 6.493 787 H GLY 102 HN GLY 102 7.784 -2.770 6.302 788 1HA GLY 102 HA2 GLY 102 5.703 -2.409 8.368 789 2HA GLY 102 HA1 GLY 102 6.060 -1.082 7.273 790 H ALA 103 HN ALA 103 6.572 -3.808 5.568 791 HA ALA 103 HA ALA 103 4.394 -3.546 3.782 792 1HB ALA 103 HB2 ALA 103 6.700 -5.205 4.051 793 2HB ALA 103 HB1 ALA 103 5.313 -6.226 3.683 794 3HB ALA 103 HB3 ALA 103 5.737 -4.892 2.611 795 H SER 104 HN SER 104 3.958 -4.248 6.824 796 HA SER 104 HA SER 104 2.832 -6.561 7.514 797 1HB SER 104 HB2 SER 104 1.313 -3.952 7.757 798 2HB SER 104 HB1 SER 104 1.044 -5.392 8.733 799 HG SER 104 HG SER 104 2.574 -3.566 9.443 800 H GLY 105 HN GLY 105 1.370 -4.540 4.973 801 1HA GLY 105 HA2 GLY 105 -0.756 -6.616 4.665 802 2HA GLY 105 HA1 GLY 105 -0.852 -4.978 4.030 803 OH TYR 106 OH TYR 106 1.694 -12.968 -2.599 804 H TYR 106 HN TYR 106 -0.690 -7.936 2.882 805 HA TYR 106 HA TYR 106 0.881 -7.081 0.522 806 1HB TYR 106 HB2 TYR 106 2.646 -8.315 1.302 807 2HB TYR 106 HB1 TYR 106 1.623 -9.315 2.335 808 HD1 TYR 106 HD1 TYR 106 1.870 -8.585 -1.369 809 HD2 TYR 106 HD2 TYR 106 1.539 -11.563 1.718 810 HE1 TYR 106 HE1 TYR 106 1.863 -10.376 -3.079 811 HE2 TYR 106 HE2 TYR 106 1.535 -13.341 0.005 812 HH TYR 106 HH TYR 106 0.997 -13.589 -2.374 813 H VAL 107 HN VAL 107 -0.474 -7.349 -1.119 814 HA VAL 107 HA VAL 107 -2.334 -9.698 -1.095 815 HB VAL 107 HB VAL 107 -3.559 -7.569 -0.981 816 1HG1 VAL 107 HG11 VAL 107 -1.643 -6.260 -2.033 817 2HG1 VAL 107 HG13 VAL 107 -2.193 -6.868 -3.591 818 3HG1 VAL 107 HG12 VAL 107 -3.246 -5.837 -2.628 819 1HG2 VAL 107 HG21 VAL 107 -4.256 -9.536 -2.509 820 2HG2 VAL 107 HG23 VAL 107 -5.009 -7.975 -2.816 821 3HG2 VAL 107 HG22 VAL 107 -3.689 -8.532 -3.841 822 H VAL 108 HN VAL 108 -2.269 -11.008 -2.938 823 HA VAL 108 HA VAL 108 -0.017 -10.492 -4.738 824 HB VAL 108 HB VAL 108 -1.883 -12.680 -5.445 825 1HG1 VAL 108 HG12 VAL 108 1.081 -12.535 -4.816 826 2HG1 VAL 108 HG11 VAL 108 0.250 -13.965 -5.423 827 3HG1 VAL 108 HG13 VAL 108 0.349 -12.515 -6.418 828 1HG2 VAL 108 HG21 VAL 108 -0.614 -12.489 -2.710 829 2HG2 VAL 108 HG23 VAL 108 -2.285 -12.878 -3.112 830 3HG2 VAL 108 HG22 VAL 108 -1.002 -14.042 -3.446 831 H LYS 109 HN LYS 109 -0.506 -8.836 -6.215 832 HA LYS 109 HA LYS 109 -3.166 -8.437 -7.229 833 1HB LYS 109 HB2 LYS 109 -2.332 -6.478 -7.992 834 2HB LYS 109 HB1 LYS 109 -0.859 -6.929 -7.143 835 1HG LYS 109 HG2 LYS 109 -0.078 -8.081 -9.251 836 2HG LYS 109 HG1 LYS 109 -1.490 -7.409 -10.075 837 1HD LYS 109 HD2 LYS 109 -0.665 -5.128 -9.150 838 2HD LYS 109 HD1 LYS 109 0.873 -5.957 -8.904 839 1HE LYS 109 HE2 LYS 109 0.562 -6.737 -11.379 840 2HE LYS 109 HE1 LYS 109 -0.576 -5.395 -11.479 841 1HZ LYS 109 HZ2 LYS 109 1.460 -4.195 -10.286 842 2HZ LYS 109 HZ1 LYS 109 2.316 -5.359 -11.181 843 3HZ LYS 109 HZ3 LYS 109 1.292 -4.264 -11.975 844 HA PRO 110 HA PRO 110 -3.980 -7.486 -9.315 845 1HB PRO 110 HB2 PRO 110 -6.047 -8.885 -10.732 846 2HB PRO 110 HB1 PRO 110 -5.021 -7.577 -11.338 847 1HG PRO 110 HG2 PRO 110 -4.943 -10.314 -12.134 848 2HG PRO 110 HG1 PRO 110 -3.810 -9.038 -12.601 849 1HD PRO 110 HD2 PRO 110 -3.417 -11.236 -10.698 850 2HD PRO 110 HD1 PRO 110 -2.211 -10.139 -11.402 851 H PHE 111 HN PHE 111 -6.287 -7.297 -8.400 852 HA PHE 111 HA PHE 111 -7.195 -9.720 -6.934 853 1HB PHE 111 HB2 PHE 111 -7.505 -8.209 -4.880 854 2HB PHE 111 HB1 PHE 111 -5.864 -8.721 -5.238 855 HD1 PHE 111 HD1 PHE 111 -8.311 -5.935 -5.766 856 HD2 PHE 111 HD2 PHE 111 -4.194 -7.127 -5.623 857 HE1 PHE 111 HE1 PHE 111 -7.601 -3.577 -6.046 858 HE2 PHE 111 HE2 PHE 111 -3.492 -4.779 -5.901 859 HZ PHE 111 HZ PHE 111 -5.198 -2.988 -6.104 860 H THR 112 HN THR 112 -9.319 -9.524 -6.110 861 HA THR 112 HA THR 112 -11.001 -7.567 -7.606 862 HB THR 112 HB THR 112 -12.254 -9.762 -6.034 863 HG1 THR 112 HG1 THR 112 -10.758 -10.198 -8.404 864 1HG2 THR 112 HG23 THR 112 -13.556 -8.216 -7.446 865 2HG2 THR 112 HG22 THR 112 -12.622 -8.717 -8.855 866 3HG2 THR 112 HG21 THR 112 -13.678 -9.872 -8.041 867 H ALA 113 HN ALA 113 -12.529 -6.288 -6.352 868 HA ALA 113 HA ALA 113 -11.605 -5.247 -3.943 869 1HB ALA 113 HB3 ALA 113 -13.665 -4.559 -5.456 870 2HB ALA 113 HB2 ALA 113 -14.576 -5.538 -4.305 871 3HB ALA 113 HB1 ALA 113 -13.656 -4.143 -3.742 872 H ALA 114 HN ALA 114 -13.488 -8.175 -4.442 873 HA ALA 114 HA ALA 114 -14.086 -8.586 -1.649 874 1HB ALA 114 HB2 ALA 114 -13.949 -10.433 -4.042 875 2HB ALA 114 HB1 ALA 114 -14.298 -11.040 -2.423 876 3HB ALA 114 HB3 ALA 114 -15.384 -9.877 -3.182 877 H THR 115 HN THR 115 -11.411 -9.443 -3.786 878 HA THR 115 HA THR 115 -10.010 -11.026 -1.814 879 HB THR 115 HB THR 115 -9.160 -9.645 -4.352 880 HG1 THR 115 HG1 THR 115 -9.603 -12.296 -3.512 881 1HG2 THR 115 HG22 THR 115 -7.497 -11.165 -2.342 882 2HG2 THR 115 HG21 THR 115 -7.010 -10.996 -4.029 883 3HG2 THR 115 HG23 THR 115 -7.182 -9.565 -3.013 884 H LEU 116 HN LEU 116 -9.030 -7.771 -3.153 885 HA LEU 116 HA LEU 116 -7.302 -7.044 -1.103 886 1HB LEU 116 HB2 LEU 116 -8.421 -5.721 -3.198 887 2HB LEU 116 HB1 LEU 116 -9.244 -4.935 -1.855 888 HG LEU 116 HG LEU 116 -6.991 -4.567 -0.778 889 1HD1 LEU 116 HD11 LEU 116 -6.170 -6.028 -3.207 890 2HD1 LEU 116 HD13 LEU 116 -5.220 -4.590 -2.863 891 3HD1 LEU 116 HD12 LEU 116 -5.353 -5.874 -1.660 892 1HD2 LEU 116 HD23 LEU 116 -8.231 -2.865 -2.225 893 2HD2 LEU 116 HD22 LEU 116 -6.492 -2.617 -2.073 894 3HD2 LEU 116 HD21 LEU 116 -7.154 -3.339 -3.539 895 H GLU 117 HN GLU 117 -10.866 -6.987 -0.988 896 HA GLU 117 HA GLU 117 -11.164 -5.615 1.461 897 1HB GLU 117 HB2 GLU 117 -13.129 -6.001 0.189 898 2HB GLU 117 HB1 GLU 117 -12.819 -7.734 0.106 899 1HG GLU 117 HG2 GLU 117 -13.412 -8.075 2.362 900 2HG GLU 117 HG1 GLU 117 -13.237 -6.365 2.758 901 H GLU 118 HN GLU 118 -11.235 -9.145 0.967 902 HA GLU 118 HA GLU 118 -11.305 -10.008 3.598 903 1HB GLU 118 HB2 GLU 118 -10.707 -11.182 1.120 904 2HB GLU 118 HB1 GLU 118 -9.315 -11.542 2.142 905 1HG GLU 118 HG2 GLU 118 -12.210 -12.053 2.890 906 2HG GLU 118 HG1 GLU 118 -11.065 -13.282 2.352 907 H LYS 119 HN LYS 119 -8.453 -8.868 1.809 908 HA LYS 119 HA LYS 119 -6.512 -9.456 3.810 909 1HB LYS 119 HB2 LYS 119 -6.465 -7.040 1.985 910 2HB LYS 119 HB1 LYS 119 -5.084 -7.894 2.673 911 1HG LYS 119 HG2 LYS 119 -7.053 -9.046 0.676 912 2HG LYS 119 HG1 LYS 119 -5.412 -8.523 0.313 913 1HD LYS 119 HD2 LYS 119 -4.686 -10.194 2.158 914 2HD LYS 119 HD1 LYS 119 -6.307 -10.869 1.987 915 1HE LYS 119 HE2 LYS 119 -5.938 -11.342 -0.355 916 2HE LYS 119 HE1 LYS 119 -4.389 -10.501 -0.329 917 1HZ LYS 119 HZ1 LYS 119 -4.815 -12.689 1.567 918 2HZ LYS 119 HZ3 LYS 119 -4.528 -13.085 -0.056 919 3HZ LYS 119 HZ2 LYS 119 -3.383 -12.175 0.809 920 H LEU 120 HN LEU 120 -8.212 -6.353 3.198 921 HA LEU 120 HA LEU 120 -7.231 -4.931 5.403 922 1HB LEU 120 HB2 LEU 120 -10.136 -4.838 4.547 923 2HB LEU 120 HB1 LEU 120 -9.199 -3.549 5.294 924 HG LEU 120 HG LEU 120 -8.993 -4.623 2.482 925 1HD1 LEU 120 HD11 LEU 120 -10.559 -2.733 3.119 926 2HD1 LEU 120 HD13 LEU 120 -9.130 -1.792 3.544 927 3HD1 LEU 120 HD12 LEU 120 -9.371 -2.325 1.881 928 1HD2 LEU 120 HD22 LEU 120 -6.972 -3.024 4.063 929 2HD2 LEU 120 HD21 LEU 120 -6.699 -4.517 3.167 930 3HD2 LEU 120 HD23 LEU 120 -7.014 -3.013 2.302 931 H ASN 121 HN ASN 121 -10.486 -6.377 5.484 932 HA ASN 121 HA ASN 121 -11.002 -6.309 8.160 933 1HB ASN 121 HB2 ASN 121 -11.822 -8.031 5.972 934 2HB ASN 121 HB1 ASN 121 -11.825 -8.899 7.508 935 1HD2 ASN 121 HD22 ASN 121 -14.948 -7.459 8.259 936 2HD2 ASN 121 HD21 ASN 121 -14.002 -8.866 8.149 937 H LYS 122 HN LYS 122 -8.985 -8.846 6.671 938 HA LYS 122 HA LYS 122 -8.571 -10.277 9.124 939 1HB LYS 122 HB2 LYS 122 -8.085 -11.438 7.104 940 2HB LYS 122 HB1 LYS 122 -7.015 -10.154 6.537 941 1HG LYS 122 HG2 LYS 122 -5.290 -10.770 7.966 942 2HG LYS 122 HG1 LYS 122 -6.384 -11.517 9.131 943 1HD LYS 122 HD2 LYS 122 -5.046 -13.195 7.852 944 2HD LYS 122 HD1 LYS 122 -6.785 -13.387 7.620 945 1HE LYS 122 HE2 LYS 122 -5.287 -13.453 5.512 946 2HE LYS 122 HE1 LYS 122 -6.721 -12.427 5.460 947 1HZ LYS 122 HZ3 LYS 122 -5.290 -10.555 6.150 948 2HZ LYS 122 HZ2 LYS 122 -3.933 -11.569 6.010 949 3HZ LYS 122 HZ1 LYS 122 -4.865 -11.196 4.639 950 H ILE 123 HN ILE 123 -6.945 -7.509 7.688 951 HA ILE 123 HA ILE 123 -4.776 -7.609 9.685 952 HB ILE 123 HB ILE 123 -5.419 -5.902 7.302 953 1HG1 ILE 123 HG12 ILE 123 -2.907 -7.386 8.150 954 2HG1 ILE 123 HG11 ILE 123 -4.169 -8.092 7.142 955 1HG2 ILE 123 HG22 ILE 123 -3.598 -5.249 9.614 956 2HG2 ILE 123 HG21 ILE 123 -3.205 -4.685 7.991 957 3HG2 ILE 123 HG23 ILE 123 -4.714 -4.189 8.753 958 1HD1 ILE 123 HD13 ILE 123 -3.728 -5.807 5.759 959 2HD1 ILE 123 HD12 ILE 123 -2.130 -6.039 6.466 960 3HD1 ILE 123 HD11 ILE 123 -2.839 -7.299 5.457 961 H PHE 124 HN PHE 124 -7.581 -5.546 8.932 962 HA PHE 124 HA PHE 124 -7.018 -3.537 10.850 963 1HB PHE 124 HB2 PHE 124 -9.494 -4.466 9.444 964 2HB PHE 124 HB1 PHE 124 -9.610 -3.256 10.722 965 HD1 PHE 124 HD2 PHE 124 -7.372 -4.024 7.810 966 HD2 PHE 124 HD1 PHE 124 -9.461 -1.017 10.049 967 HE1 PHE 124 HE2 PHE 124 -6.563 -2.305 6.244 968 HE2 PHE 124 HE1 PHE 124 -8.637 0.716 8.474 969 HZ PHE 124 HZ PHE 124 -7.193 0.060 6.564 970 H GLU 125 HN GLU 125 -7.475 -6.723 11.492 971 HA GLU 125 HA GLU 125 -9.185 -6.456 13.851 972 1HB GLU 125 HB2 GLU 125 -7.754 -8.627 12.456 973 2HB GLU 125 HB1 GLU 125 -7.752 -8.789 14.213 974 1HG GLU 125 HG2 GLU 125 -10.121 -8.795 14.328 975 2HG GLU 125 HG1 GLU 125 -10.282 -8.176 12.683 976 H LYS 126 HN LYS 126 -5.839 -6.140 13.031 977 HA LYS 126 HA LYS 126 -4.990 -6.095 15.866 978 1HB LYS 126 HB2 LYS 126 -3.506 -5.813 13.239 979 2HB LYS 126 HB1 LYS 126 -2.726 -5.598 14.805 980 1HG LYS 126 HG2 LYS 126 -2.723 -7.825 15.255 981 2HG LYS 126 HG1 LYS 126 -4.346 -8.050 14.608 982 1HD LYS 126 HD2 LYS 126 -2.784 -9.284 13.219 983 2HD LYS 126 HD1 LYS 126 -3.383 -7.911 12.291 984 1HE LYS 126 HE2 LYS 126 -0.980 -8.034 11.993 985 2HE LYS 126 HE1 LYS 126 -1.329 -6.631 13.001 986 1HZ LYS 126 HZ3 LYS 126 -0.931 -9.125 14.423 987 2HZ LYS 126 HZ2 LYS 126 0.446 -8.511 13.638 988 3HZ LYS 126 HZ1 LYS 126 -0.374 -7.564 14.787 989 H LEU 127 HN LEU 127 -5.711 -3.983 13.171 990 HA LEU 127 HA LEU 127 -4.588 -1.584 14.357 991 1HB LEU 127 HB2 LEU 127 -5.396 -2.180 11.841 992 2HB LEU 127 HB1 LEU 127 -6.860 -1.396 12.422 993 HG LEU 127 HG LEU 127 -5.430 0.269 11.374 994 1HD1 LEU 127 HD11 LEU 127 -6.685 0.722 13.592 995 2HD1 LEU 127 HD13 LEU 127 -5.086 0.705 14.336 996 3HD1 LEU 127 HD12 LEU 127 -5.463 1.886 13.083 997 1HD2 LEU 127 HD21 LEU 127 -3.318 -1.244 12.262 998 2HD2 LEU 127 HD23 LEU 127 -3.174 0.406 11.655 999 3HD2 LEU 127 HD22 LEU 127 -3.276 0.111 13.389 1000 H GLY 128 HN GLY 128 -7.646 -3.298 14.529 1001 1HA GLY 128 HA2 GLY 128 -9.528 -2.926 15.879 1002 2HA GLY 128 HA1 GLY 128 -8.440 -2.038 16.948 1003 H MET 129 HN MET 129 -10.450 -1.706 14.044 1004 HA MET 129 HA MET 129 -10.270 1.239 14.199 1005 1HB MET 129 HB2 MET 129 -12.099 0.828 12.274 1006 2HB MET 129 HB1 MET 129 -10.367 0.694 11.961 1007 1HG MET 129 HG2 MET 129 -11.719 -1.265 11.123 1008 2HG MET 129 HG1 MET 129 -10.430 -1.701 12.243 1009 1HE MET 129 HE1 MET 129 -11.375 -3.839 12.410 1010 2HE MET 129 HE3 MET 129 -12.741 -4.336 13.419 1011 3HE MET 129 HE2 MET 129 -13.015 -3.788 11.767 Start of MODEL 3 Raw file had 1011 H/Q atoms Start of MODEL 3 1 H ALA 2 HN ALA 2 -14.539 0.450 8.542 2 HA ALA 2 HA ALA 2 -12.616 1.579 10.524 3 1HB ALA 2 HB3 ALA 2 -11.753 -0.111 8.569 4 2HB ALA 2 HB2 ALA 2 -11.665 1.428 7.716 5 3HB ALA 2 HB1 ALA 2 -10.777 1.208 9.221 6 H ASP 3 HN ASP 3 -11.808 3.762 9.760 7 HA ASP 3 HA ASP 3 -13.830 5.594 9.323 8 1HB ASP 3 HB2 ASP 3 -11.391 6.095 9.813 9 2HB ASP 3 HB1 ASP 3 -11.081 5.893 8.089 10 H LYS 4 HN LYS 4 -14.810 6.556 7.493 11 HA LYS 4 HA LYS 4 -14.747 4.871 5.067 12 1HB LYS 4 HB2 LYS 4 -16.497 7.224 5.854 13 2HB LYS 4 HB1 LYS 4 -16.663 6.324 4.348 14 1HG LYS 4 HG2 LYS 4 -16.583 4.390 6.416 15 2HG LYS 4 HG1 LYS 4 -17.670 5.661 6.971 16 1HD LYS 4 HD2 LYS 4 -18.956 4.027 5.703 17 2HD LYS 4 HD1 LYS 4 -18.880 5.533 4.789 18 1HE LYS 4 HE2 LYS 4 -16.620 3.817 4.158 19 2HE LYS 4 HE1 LYS 4 -18.147 2.986 3.875 20 1HZ LYS 4 HZ3 LYS 4 -18.881 4.973 2.626 21 2HZ LYS 4 HZ2 LYS 4 -17.317 5.618 2.788 22 3HZ LYS 4 HZ1 LYS 4 -17.560 4.180 1.915 23 H GLU 5 HN GLU 5 -12.710 7.005 6.090 24 HA GLU 5 HA GLU 5 -12.172 8.106 3.393 25 1HB GLU 5 HB2 GLU 5 -12.121 9.888 5.848 26 2HB GLU 5 HB1 GLU 5 -11.896 10.371 4.170 27 1HG GLU 5 HG2 GLU 5 -14.117 10.999 4.642 28 2HG GLU 5 HG1 GLU 5 -14.294 9.466 3.798 29 H LEU 6 HN LEU 6 -10.730 6.019 4.544 30 HA LEU 6 HA LEU 6 -8.554 7.116 6.111 31 1HB LEU 6 HB2 LEU 6 -9.284 4.779 6.413 32 2HB LEU 6 HB1 LEU 6 -8.822 4.418 4.757 33 HG LEU 6 HG LEU 6 -6.484 4.820 5.247 34 1HD1 LEU 6 HD11 LEU 6 -7.584 5.885 7.838 35 2HD1 LEU 6 HD13 LEU 6 -5.948 5.232 7.779 36 3HD1 LEU 6 HD12 LEU 6 -6.383 6.606 6.764 37 1HD2 LEU 6 HD22 LEU 6 -7.931 3.101 7.265 38 2HD2 LEU 6 HD21 LEU 6 -7.091 2.595 5.798 39 3HD2 LEU 6 HD23 LEU 6 -6.172 3.176 7.185 40 H LYS 7 HN LYS 7 -6.920 8.288 5.217 41 HA LYS 7 HA LYS 7 -6.618 8.785 2.471 42 1HB LYS 7 HB2 LYS 7 -4.960 9.220 4.880 43 2HB LYS 7 HB1 LYS 7 -4.086 9.211 3.353 44 1HG LYS 7 HG2 LYS 7 -5.434 10.962 2.451 45 2HG LYS 7 HG1 LYS 7 -6.604 10.829 3.764 46 1HD LYS 7 HD2 LYS 7 -3.879 11.304 4.725 47 2HD LYS 7 HD1 LYS 7 -4.473 12.600 3.687 48 1HE LYS 7 HE2 LYS 7 -5.027 12.917 6.121 49 2HE LYS 7 HE1 LYS 7 -6.441 12.889 5.067 50 1HZ LYS 7 HZ3 LYS 7 -6.669 10.502 5.593 51 2HZ LYS 7 HZ2 LYS 7 -5.404 10.650 6.717 52 3HZ LYS 7 HZ1 LYS 7 -6.856 11.502 6.949 53 H PHE 8 HN PHE 8 -6.043 7.459 0.854 54 HA PHE 8 HA PHE 8 -4.136 5.233 1.409 55 1HB PHE 8 HB2 PHE 8 -6.361 5.545 -0.611 56 2HB PHE 8 HB1 PHE 8 -5.112 4.332 -0.792 57 HD1 PHE 8 HD2 PHE 8 -4.903 2.490 0.863 58 HD2 PHE 8 HD1 PHE 8 -8.085 5.348 1.009 59 HE1 PHE 8 HE2 PHE 8 -6.151 1.011 2.418 60 HE2 PHE 8 HE1 PHE 8 -9.325 3.888 2.562 61 HZ PHE 8 HZ PHE 8 -8.372 1.707 3.272 62 H LEU 9 HN LEU 9 -2.474 4.886 -0.141 63 HA LEU 9 HA LEU 9 -2.133 7.060 -2.165 64 1HB LEU 9 HB2 LEU 9 -0.619 7.549 -0.293 65 2HB LEU 9 HB1 LEU 9 0.023 5.910 -0.369 66 HG LEU 9 HG LEU 9 0.887 6.319 -2.622 67 1HD1 LEU 9 HD11 LEU 9 -0.649 8.871 -2.290 68 2HD1 LEU 9 HD13 LEU 9 0.810 8.879 -3.281 69 3HD1 LEU 9 HD12 LEU 9 -0.533 7.814 -3.699 70 1HD2 LEU 9 HD21 LEU 9 1.577 8.372 -0.527 71 2HD2 LEU 9 HD23 LEU 9 2.429 6.873 -0.907 72 3HD2 LEU 9 HD22 LEU 9 2.476 8.226 -2.037 73 H VAL 10 HN VAL 10 -2.566 5.877 -3.992 74 HA VAL 10 HA VAL 10 -1.477 3.141 -4.241 75 HB VAL 10 HB VAL 10 -2.662 3.416 -6.564 76 1HG1 VAL 10 HG12 VAL 10 -3.780 3.037 -3.837 77 2HG1 VAL 10 HG11 VAL 10 -4.948 3.292 -5.132 78 3HG1 VAL 10 HG13 VAL 10 -3.808 1.949 -5.226 79 1HG2 VAL 10 HG21 VAL 10 -2.855 5.925 -6.249 80 2HG2 VAL 10 HG23 VAL 10 -4.369 5.115 -6.646 81 3HG2 VAL 10 HG22 VAL 10 -4.038 5.601 -4.984 82 H VAL 11 HN VAL 11 0.575 2.922 -5.000 83 HA VAL 11 HA VAL 11 1.596 4.985 -6.864 84 HB VAL 11 HB VAL 11 3.166 3.154 -5.046 85 1HG1 VAL 11 HG11 VAL 11 3.889 5.131 -7.159 86 2HG1 VAL 11 HG13 VAL 11 4.851 5.151 -5.682 87 3HG1 VAL 11 HG12 VAL 11 4.740 3.677 -6.640 88 1HG2 VAL 11 HG23 VAL 11 1.815 5.695 -4.637 89 2HG2 VAL 11 HG22 VAL 11 2.592 4.650 -3.449 90 3HG2 VAL 11 HG21 VAL 11 3.547 5.835 -4.341 91 H ASP 12 HN ASP 12 2.106 4.379 -8.886 92 HA ASP 12 HA ASP 12 3.079 1.722 -9.533 93 1HB ASP 12 HB2 ASP 12 1.010 1.509 -11.216 94 2HB ASP 12 HB1 ASP 12 0.925 0.871 -9.575 95 H ASP 13 HN ASP 13 2.580 1.695 -12.268 96 HA ASP 13 HA ASP 13 3.206 4.400 -13.297 97 1HB ASP 13 HB2 ASP 13 5.360 3.137 -12.596 98 2HB ASP 13 HB1 ASP 13 5.042 2.111 -13.996 99 H PHE 14 HN PHE 14 1.268 1.914 -13.553 100 HA PHE 14 HA PHE 14 1.516 1.159 -16.349 101 1HB PHE 14 HB2 PHE 14 -0.051 0.358 -14.099 102 2HB PHE 14 HB1 PHE 14 -1.155 0.771 -15.411 103 HD1 PHE 14 HD2 PHE 14 1.791 -1.308 -14.506 104 HD2 PHE 14 HD1 PHE 14 -1.335 -0.591 -17.364 105 HE1 PHE 14 HE2 PHE 14 2.343 -3.441 -15.645 106 HE2 PHE 14 HE1 PHE 14 -0.782 -2.724 -18.503 107 HZ PHE 14 HZ PHE 14 1.057 -4.149 -17.643 108 H SER 15 HN SER 15 0.154 3.851 -14.679 109 HA SER 15 HA SER 15 -0.843 5.792 -15.566 110 1HB SER 15 HB2 SER 15 -1.041 4.715 -18.323 111 2HB SER 15 HB1 SER 15 -0.467 6.285 -17.768 112 HG SER 15 HG SER 15 1.229 4.978 -18.580 113 H THR 16 HN THR 16 -2.107 2.790 -15.382 114 HA THR 16 HA THR 16 -4.850 3.814 -15.761 115 HB THR 16 HB THR 16 -4.443 2.903 -17.957 116 HG1 THR 16 HG1 THR 16 -5.743 0.906 -16.426 117 1HG2 THR 16 HG21 THR 16 -3.288 0.562 -16.432 118 2HG2 THR 16 HG23 THR 16 -3.743 0.452 -18.132 119 3HG2 THR 16 HG22 THR 16 -2.488 1.582 -17.627 120 H MET 17 HN MET 17 -2.570 1.559 -14.447 121 HA MET 17 HA MET 17 -4.441 -0.232 -13.189 122 1HB MET 17 HB2 MET 17 -2.031 -0.762 -13.497 123 2HB MET 17 HB1 MET 17 -1.623 0.494 -12.327 124 1HG MET 17 HG2 MET 17 -1.999 -0.929 -10.626 125 2HG MET 17 HG1 MET 17 -3.642 -1.215 -11.201 126 1HE MET 17 HE2 MET 17 -3.875 -2.494 -13.600 127 2HE MET 17 HE1 MET 17 -3.522 -4.212 -13.431 128 3HE MET 17 HE3 MET 17 -4.460 -3.371 -12.189 129 NH1 ARG 18 NH2 ARG 18 0.956 7.114 -13.213 130 NH2 ARG 18 NH1 ARG 18 0.799 7.842 -11.078 131 H ARG 18 HN ARG 18 -3.208 2.935 -12.377 132 HA ARG 18 HA ARG 18 -3.831 2.921 -9.582 133 1HB ARG 18 HB2 ARG 18 -4.324 5.498 -10.847 134 2HB ARG 18 HB1 ARG 18 -3.105 5.050 -9.661 135 1HG ARG 18 HG2 ARG 18 -1.749 4.035 -11.513 136 2HG ARG 18 HG1 ARG 18 -2.945 4.637 -12.662 137 1HD ARG 18 HD2 ARG 18 -2.071 6.710 -12.616 138 2HD ARG 18 HD1 ARG 18 -2.072 6.744 -10.854 139 HE ARG 18 HE ARG 18 0.072 5.100 -11.507 140 1HH1 ARG 18 HH21 ARG 18 0.713 6.452 -13.922 141 2HH1 ARG 18 HH22 ARG 18 1.560 7.880 -13.431 142 1HH2 ARG 18 HH11 ARG 18 0.436 7.737 -10.153 143 2HH2 ARG 18 HH12 ARG 18 1.404 8.608 -11.296 144 NH1 ARG 19 NH1 ARG 19 -11.682 6.136 -16.678 145 NH2 ARG 19 NH2 ARG 19 -10.371 7.945 -16.333 146 H ARG 19 HN ARG 19 -5.748 3.758 -12.449 147 HA ARG 19 HA ARG 19 -8.024 4.700 -11.024 148 1HB ARG 19 HB2 ARG 19 -7.468 4.873 -13.553 149 2HB ARG 19 HB1 ARG 19 -8.220 3.283 -13.676 150 1HG ARG 19 HG2 ARG 19 -10.251 4.222 -12.535 151 2HG ARG 19 HG1 ARG 19 -9.502 5.818 -12.619 152 1HD ARG 19 HD2 ARG 19 -9.249 4.846 -15.212 153 2HD ARG 19 HD1 ARG 19 -10.848 4.293 -14.716 154 HE ARG 19 HE ARG 19 -10.737 6.971 -13.932 155 1HH1 ARG 19 HH11 ARG 19 -12.076 5.277 -16.352 156 2HH1 ARG 19 HH12 ARG 19 -11.900 6.470 -17.595 157 1HH2 ARG 19 HH21 ARG 19 -9.760 8.471 -15.741 158 2HH2 ARG 19 HH22 ARG 19 -10.589 8.279 -17.250 159 H ILE 20 HN ILE 20 -6.864 1.482 -11.661 160 HA ILE 20 HA ILE 20 -9.392 0.127 -11.266 161 HB ILE 20 HB ILE 20 -6.524 -0.659 -11.456 162 1HG1 ILE 20 HG12 ILE 20 -7.436 -2.227 -13.086 163 2HG1 ILE 20 HG11 ILE 20 -9.080 -1.848 -12.570 164 1HG2 ILE 20 HG23 ILE 20 -8.630 -2.296 -10.024 165 2HG2 ILE 20 HG22 ILE 20 -7.239 -3.038 -10.813 166 3HG2 ILE 20 HG21 ILE 20 -6.993 -1.912 -9.481 167 1HD1 ILE 20 HD13 ILE 20 -7.333 0.420 -13.423 168 2HD1 ILE 20 HD12 ILE 20 -7.978 -0.639 -14.677 169 3HD1 ILE 20 HD11 ILE 20 -9.077 0.219 -13.598 170 H VAL 21 HN VAL 21 -6.558 0.599 -9.124 171 HA VAL 21 HA VAL 21 -7.840 -0.549 -6.835 172 HB VAL 21 HB VAL 21 -5.971 1.349 -5.910 173 1HG1 VAL 21 HG11 VAL 21 -5.675 -1.590 -6.591 174 2HG1 VAL 21 HG13 VAL 21 -4.592 -0.677 -5.540 175 3HG1 VAL 21 HG12 VAL 21 -6.272 -0.935 -5.067 176 1HG2 VAL 21 HG21 VAL 21 -5.338 1.672 -8.299 177 2HG2 VAL 21 HG23 VAL 21 -4.036 0.947 -7.356 178 3HG2 VAL 21 HG22 VAL 21 -5.018 -0.057 -8.424 179 NH1 ARG 22 NH1 ARG 22 -8.475 9.273 -10.228 180 NH2 ARG 22 NH2 ARG 22 -9.627 10.161 -8.499 181 H ARG 22 HN ARG 22 -7.722 2.756 -8.098 182 HA ARG 22 HA ARG 22 -8.706 4.203 -5.902 183 1HB ARG 22 HB2 ARG 22 -8.777 4.489 -8.834 184 2HB ARG 22 HB1 ARG 22 -10.094 5.313 -8.001 185 1HG ARG 22 HG2 ARG 22 -8.539 6.543 -6.622 186 2HG ARG 22 HG1 ARG 22 -7.177 5.605 -7.236 187 1HD ARG 22 HD2 ARG 22 -6.972 6.959 -9.022 188 2HD ARG 22 HD1 ARG 22 -8.678 6.762 -9.425 189 HE ARG 22 HE ARG 22 -8.037 8.645 -7.233 190 1HH1 ARG 22 HH11 ARG 22 -7.830 8.596 -10.582 191 2HH1 ARG 22 HH12 ARG 22 -8.881 9.947 -10.845 192 1HH2 ARG 22 HH21 ARG 22 -9.866 10.165 -7.527 193 2HH2 ARG 22 HH22 ARG 22 -10.033 10.835 -9.115 194 H ASN 23 HN ASN 23 -10.680 2.694 -8.476 195 HA ASN 23 HA ASN 23 -13.210 3.117 -7.283 196 1HB ASN 23 HB2 ASN 23 -12.167 1.992 -9.577 197 2HB ASN 23 HB1 ASN 23 -12.854 0.620 -8.750 198 1HD2 ASN 23 HD22 ASN 23 -16.112 2.592 -8.631 199 2HD2 ASN 23 HD21 ASN 23 -14.998 2.179 -7.419 200 H LEU 24 HN LEU 24 -11.216 0.211 -7.415 201 HA LEU 24 HA LEU 24 -12.546 -1.603 -5.877 202 1HB LEU 24 HB2 LEU 24 -10.213 -1.778 -6.869 203 2HB LEU 24 HB1 LEU 24 -9.630 -0.964 -5.430 204 HG LEU 24 HG LEU 24 -11.378 -3.258 -4.818 205 1HD1 LEU 24 HD11 LEU 24 -10.353 -4.102 -6.905 206 2HD1 LEU 24 HD13 LEU 24 -8.751 -3.767 -6.245 207 3HD1 LEU 24 HD12 LEU 24 -9.778 -4.990 -5.495 208 1HD2 LEU 24 HD23 LEU 24 -8.679 -2.232 -3.943 209 2HD2 LEU 24 HD22 LEU 24 -10.122 -2.531 -2.983 210 3HD2 LEU 24 HD21 LEU 24 -9.149 -3.882 -3.557 211 H LEU 25 HN LEU 25 -10.463 0.961 -4.454 212 HA LEU 25 HA LEU 25 -11.055 0.345 -1.734 213 1HB LEU 25 HB2 LEU 25 -10.233 2.886 -3.142 214 2HB LEU 25 HB1 LEU 25 -10.604 2.900 -1.426 215 HG LEU 25 HG LEU 25 -8.572 1.055 -2.721 216 1HD1 LEU 25 HD13 LEU 25 -8.336 3.756 -1.409 217 2HD1 LEU 25 HD12 LEU 25 -6.991 2.616 -1.365 218 3HD1 LEU 25 HD11 LEU 25 -7.611 3.190 -2.914 219 1HD2 LEU 25 HD23 LEU 25 -9.649 1.397 0.035 220 2HD2 LEU 25 HD22 LEU 25 -8.968 -0.033 -0.736 221 3HD2 LEU 25 HD21 LEU 25 -7.902 1.215 -0.094 222 H LYS 26 HN LYS 26 -12.578 2.746 -3.908 223 HA LYS 26 HA LYS 26 -14.575 3.642 -2.170 224 1HB LYS 26 HB2 LYS 26 -14.830 3.164 -5.153 225 2HB LYS 26 HB1 LYS 26 -15.870 4.212 -4.188 226 1HG LYS 26 HG2 LYS 26 -13.462 5.221 -3.495 227 2HG LYS 26 HG1 LYS 26 -13.084 4.653 -5.120 228 1HD LYS 26 HD2 LYS 26 -15.309 5.845 -5.789 229 2HD LYS 26 HD1 LYS 26 -15.102 6.712 -4.268 230 1HE LYS 26 HE2 LYS 26 -12.748 7.273 -5.030 231 2HE LYS 26 HE1 LYS 26 -13.186 6.627 -6.612 232 1HZ LYS 26 HZ3 LYS 26 -14.897 8.647 -5.328 233 2HZ LYS 26 HZ2 LYS 26 -13.482 9.133 -6.133 234 3HZ LYS 26 HZ1 LYS 26 -14.700 8.301 -6.977 235 H GLU 27 HN GLU 27 -14.655 0.828 -4.356 236 HA GLU 27 HA GLU 27 -17.276 -0.028 -3.864 237 1HB GLU 27 HB2 GLU 27 -15.811 -1.091 -5.537 238 2HB GLU 27 HB1 GLU 27 -14.805 -1.745 -4.245 239 1HG GLU 27 HG2 GLU 27 -16.469 -3.237 -3.529 240 2HG GLU 27 HG1 GLU 27 -17.761 -2.312 -4.295 241 H LEU 28 HN LEU 28 -14.470 -0.113 -1.825 242 HA LEU 28 HA LEU 28 -15.628 -2.008 0.091 243 1HB LEU 28 HB2 LEU 28 -13.059 -1.158 -0.491 244 2HB LEU 28 HB1 LEU 28 -13.412 -0.324 1.022 245 HG LEU 28 HG LEU 28 -13.716 -3.306 0.544 246 1HD1 LEU 28 HD11 LEU 28 -11.395 -1.855 0.993 247 2HD1 LEU 28 HD13 LEU 28 -11.861 -2.373 2.612 248 3HD1 LEU 28 HD12 LEU 28 -11.614 -3.569 1.342 249 1HD2 LEU 28 HD22 LEU 28 -14.447 -1.459 2.785 250 2HD2 LEU 28 HD21 LEU 28 -15.266 -2.915 2.220 251 3HD2 LEU 28 HD23 LEU 28 -13.809 -3.050 3.203 252 H GLY 29 HN GLY 29 -14.510 1.356 0.429 253 1HA GLY 29 HA2 GLY 29 -16.741 2.681 1.249 254 2HA GLY 29 HA1 GLY 29 -16.269 1.785 2.691 255 H PHE 30 HN PHE 30 -14.762 3.868 0.203 256 HA PHE 30 HA PHE 30 -13.454 5.397 2.367 257 1HB PHE 30 HB2 PHE 30 -11.933 3.952 0.189 258 2HB PHE 30 HB1 PHE 30 -11.226 5.142 1.274 259 HD1 PHE 30 HD2 PHE 30 -11.710 4.703 3.876 260 HD2 PHE 30 HD1 PHE 30 -11.830 1.711 0.796 261 HE1 PHE 30 HE2 PHE 30 -11.363 2.924 5.574 262 HE2 PHE 30 HE1 PHE 30 -11.492 -0.059 2.495 263 HZ PHE 30 HZ PHE 30 -11.259 0.549 4.885 264 H ASN 31 HN ASN 31 -12.617 7.467 1.597 265 HA ASN 31 HA ASN 31 -13.174 8.176 -1.217 266 1HB ASN 31 HB2 ASN 31 -15.267 8.522 0.317 267 2HB ASN 31 HB1 ASN 31 -14.377 9.923 0.916 268 1HD2 ASN 31 HD22 ASN 31 -14.309 10.742 -2.913 269 2HD2 ASN 31 HD21 ASN 31 -13.148 9.868 -2.037 270 H ASN 32 HN ASN 32 -10.675 8.116 -0.494 271 HA ASN 32 HA ASN 32 -9.729 10.815 -0.630 272 1HB ASN 32 HB2 ASN 32 -10.461 10.308 1.930 273 2HB ASN 32 HB1 ASN 32 -8.821 9.666 1.965 274 1HD2 ASN 32 HD22 ASN 32 -9.161 13.634 0.912 275 2HD2 ASN 32 HD21 ASN 32 -10.293 12.522 0.308 276 H VAL 33 HN VAL 33 -8.321 10.058 -2.219 277 HA VAL 33 HA VAL 33 -6.076 8.392 -1.253 278 HB VAL 33 HB VAL 33 -7.641 6.739 -2.097 279 1HG1 VAL 33 HG11 VAL 33 -8.941 8.367 -3.499 280 2HG1 VAL 33 HG13 VAL 33 -7.646 8.293 -4.694 281 3HG1 VAL 33 HG12 VAL 33 -8.583 6.849 -4.316 282 1HG2 VAL 33 HG23 VAL 33 -5.057 6.965 -2.917 283 2HG2 VAL 33 HG22 VAL 33 -6.093 5.601 -3.336 284 3HG2 VAL 33 HG21 VAL 33 -5.885 6.933 -4.472 285 H GLU 34 HN GLU 34 -4.145 8.645 -2.522 286 HA GLU 34 HA GLU 34 -4.318 10.724 -4.678 287 1HB GLU 34 HB2 GLU 34 -2.514 10.486 -2.322 288 2HB GLU 34 HB1 GLU 34 -1.789 11.037 -3.831 289 1HG GLU 34 HG2 GLU 34 -4.365 12.246 -2.844 290 2HG GLU 34 HG1 GLU 34 -2.814 12.829 -2.241 291 H GLU 35 HN GLU 35 -1.771 10.515 -5.683 292 HA GLU 35 HA GLU 35 -1.277 7.643 -6.186 293 1HB GLU 35 HB2 GLU 35 -1.552 9.472 -8.555 294 2HB GLU 35 HB1 GLU 35 -1.636 7.712 -8.501 295 1HG GLU 35 HG2 GLU 35 -3.778 7.871 -7.253 296 2HG GLU 35 HG1 GLU 35 -3.705 9.630 -7.382 297 H ALA 36 HN ALA 36 0.775 7.216 -7.105 298 HA ALA 36 HA ALA 36 2.626 9.537 -7.382 299 1HB ALA 36 HB1 ALA 36 2.607 7.819 -5.157 300 2HB ALA 36 HB3 ALA 36 3.946 7.258 -6.158 301 3HB ALA 36 HB2 ALA 36 3.892 8.933 -5.611 302 H GLU 37 HN GLU 37 4.728 8.744 -8.472 303 HA GLU 37 HA GLU 37 3.953 6.810 -10.599 304 1HB GLU 37 HB2 GLU 37 6.491 8.374 -10.729 305 2HB GLU 37 HB1 GLU 37 5.369 7.938 -12.020 306 1HG GLU 37 HG2 GLU 37 3.708 9.544 -11.026 307 2HG GLU 37 HG1 GLU 37 4.961 10.066 -9.901 308 H ASP 38 HN ASP 38 5.626 6.726 -7.703 309 HA ASP 38 HA ASP 38 6.607 4.125 -7.986 310 1HB ASP 38 HB2 ASP 38 8.340 6.118 -9.284 311 2HB ASP 38 HB1 ASP 38 9.181 5.114 -8.105 312 H GLY 39 HN GLY 39 8.666 3.832 -6.402 313 1HA GLY 39 HA2 GLY 39 7.808 4.637 -3.827 314 2HA GLY 39 HA1 GLY 39 9.419 4.033 -4.191 315 H VAL 40 HN VAL 40 10.462 5.981 -5.841 316 HA VAL 40 HA VAL 40 11.297 8.000 -4.052 317 HB VAL 40 HB VAL 40 11.102 8.207 -7.074 318 1HG1 VAL 40 HG12 VAL 40 12.811 9.663 -5.034 319 2HG1 VAL 40 HG11 VAL 40 13.004 9.793 -6.783 320 3HG1 VAL 40 HG13 VAL 40 11.525 10.369 -6.014 321 1HG2 VAL 40 HG22 VAL 40 13.039 6.874 -5.209 322 2HG2 VAL 40 HG21 VAL 40 12.430 6.320 -6.769 323 3HG2 VAL 40 HG23 VAL 40 13.648 7.594 -6.700 324 H ASP 41 HN ASP 41 8.642 7.961 -6.382 325 HA ASP 41 HA ASP 41 7.830 10.688 -5.975 326 1HB ASP 41 HB2 ASP 41 7.192 8.935 -7.825 327 2HB ASP 41 HB1 ASP 41 5.911 8.501 -6.701 328 H ALA 42 HN ALA 42 6.843 7.593 -4.521 329 HA ALA 42 HA ALA 42 4.783 8.724 -2.863 330 1HB ALA 42 HB2 ALA 42 5.828 6.149 -3.340 331 2HB ALA 42 HB1 ALA 42 6.053 6.450 -1.617 332 3HB ALA 42 HB3 ALA 42 4.445 6.566 -2.327 333 H LEU 43 HN LEU 43 8.098 7.666 -2.003 334 HA LEU 43 HA LEU 43 8.268 8.480 0.614 335 1HB LEU 43 HB2 LEU 43 10.147 7.484 -0.692 336 2HB LEU 43 HB1 LEU 43 10.389 9.039 -1.482 337 HG LEU 43 HG LEU 43 10.813 10.083 0.737 338 1HD1 LEU 43 HD12 LEU 43 10.135 7.312 1.635 339 2HD1 LEU 43 HD11 LEU 43 11.380 8.187 2.525 340 3HD1 LEU 43 HD13 LEU 43 9.756 8.861 2.389 341 1HD2 LEU 43 HD21 LEU 43 12.669 9.155 -0.656 342 2HD2 LEU 43 HD23 LEU 43 13.023 9.109 1.071 343 3HD2 LEU 43 HD22 LEU 43 12.532 7.638 0.233 344 H ASN 44 HN ASN 44 8.555 10.625 -2.226 345 HA ASN 44 HA ASN 44 9.009 12.998 -0.635 346 1HB ASN 44 HB2 ASN 44 8.299 12.451 -3.498 347 2HB ASN 44 HB1 ASN 44 8.159 14.095 -2.874 348 1HD2 ASN 44 HD22 ASN 44 11.726 13.044 -4.066 349 2HD2 ASN 44 HD21 ASN 44 10.237 12.523 -4.695 350 H LYS 45 HN LYS 45 6.127 11.414 -1.921 351 HA LYS 45 HA LYS 45 4.406 13.621 -0.983 352 1HB LYS 45 HB2 LYS 45 3.841 11.010 -2.402 353 2HB LYS 45 HB1 LYS 45 2.566 12.106 -1.865 354 1HG LYS 45 HG2 LYS 45 3.642 13.935 -3.189 355 2HG LYS 45 HG1 LYS 45 4.807 12.760 -3.801 356 1HD LYS 45 HD2 LYS 45 3.324 12.346 -5.453 357 2HD LYS 45 HD1 LYS 45 2.352 11.527 -4.231 358 1HE LYS 45 HE2 LYS 45 2.125 14.392 -5.167 359 2HE LYS 45 HE1 LYS 45 0.896 13.129 -5.232 360 1HZ LYS 45 HZ3 LYS 45 1.912 13.626 -2.588 361 2HZ LYS 45 HZ2 LYS 45 1.133 14.970 -3.272 362 3HZ LYS 45 HZ1 LYS 45 0.310 13.491 -3.125 363 H LEU 46 HN LEU 46 5.669 10.708 0.288 364 HA LEU 46 HA LEU 46 3.496 9.899 1.975 365 1HB LEU 46 HB2 LEU 46 6.299 9.230 1.610 366 2HB LEU 46 HB1 LEU 46 5.921 9.337 3.323 367 HG LEU 46 HG LEU 46 5.606 7.039 2.341 368 1HD1 LEU 46 HD11 LEU 46 3.757 8.576 3.957 369 2HD1 LEU 46 HD13 LEU 46 2.911 7.306 3.072 370 3HD1 LEU 46 HD12 LEU 46 4.260 6.895 4.131 371 1HD2 LEU 46 HD22 LEU 46 4.371 8.396 0.265 372 2HD2 LEU 46 HD21 LEU 46 4.275 6.657 0.547 373 3HD2 LEU 46 HD23 LEU 46 3.014 7.721 1.167 374 H GLN 47 HN GLN 47 5.645 12.570 2.043 375 HA GLN 47 HA GLN 47 5.342 13.061 4.929 376 1HB GLN 47 HB2 GLN 47 7.373 13.680 3.390 377 2HB GLN 47 HB1 GLN 47 6.389 15.078 2.957 378 1HG GLN 47 HG2 GLN 47 6.109 15.446 5.491 379 2HG GLN 47 HG1 GLN 47 7.443 14.308 5.680 380 1HE2 GLN 47 HE22 GLN 47 9.909 16.582 4.502 381 2HE2 GLN 47 HE21 GLN 47 9.572 14.964 4.883 382 H ALA 48 HN ALA 48 3.386 13.441 2.270 383 HA ALA 48 HA ALA 48 2.304 15.985 2.317 384 1HB ALA 48 HB3 ALA 48 0.868 13.325 2.121 385 2HB ALA 48 HB2 ALA 48 0.088 14.876 1.808 386 3HB ALA 48 HB1 ALA 48 1.424 14.339 0.789 387 H GLY 49 HN GLY 49 0.671 13.382 4.139 388 1HA GLY 49 HA2 GLY 49 0.576 15.144 6.524 389 2HA GLY 49 HA1 GLY 49 -0.967 14.662 5.817 390 H GLY 50 HN GLY 50 1.332 12.242 5.344 391 1HA GLY 50 HA2 GLY 50 1.907 10.326 6.668 392 2HA GLY 50 HA1 GLY 50 0.831 10.912 7.937 393 OH TYR 51 OH TYR 51 -1.253 11.791 -0.855 394 H TYR 51 HN TYR 51 0.735 9.670 4.609 395 HA TYR 51 HA TYR 51 -1.973 9.156 4.347 396 1HB TYR 51 HB2 TYR 51 0.465 7.701 3.368 397 2HB TYR 51 HB1 TYR 51 -1.143 7.059 3.036 398 HD1 TYR 51 HD1 TYR 51 -2.751 8.299 1.667 399 HD2 TYR 51 HD2 TYR 51 1.194 9.806 2.427 400 HE1 TYR 51 HE1 TYR 51 -3.053 9.989 -0.122 401 HE2 TYR 51 HE2 TYR 51 0.896 11.490 0.632 402 HH TYR 51 HH TYR 51 -1.226 12.660 -0.448 403 H GLY 52 HN GLY 52 -3.291 8.193 5.779 404 1HA GLY 52 HA2 GLY 52 -2.442 6.423 7.839 405 2HA GLY 52 HA1 GLY 52 -4.105 6.597 7.292 406 H PHE 53 HN PHE 53 -2.489 5.921 4.536 407 HA PHE 53 HA PHE 53 -2.050 3.066 4.877 408 1HB PHE 53 HB2 PHE 53 -4.626 3.649 4.831 409 2HB PHE 53 HB1 PHE 53 -4.355 3.692 3.104 410 HD1 PHE 53 HD2 PHE 53 -3.133 1.657 2.071 411 HD2 PHE 53 HD1 PHE 53 -4.964 1.626 5.931 412 HE1 PHE 53 HE2 PHE 53 -3.277 -0.791 1.976 413 HE2 PHE 53 HE1 PHE 53 -5.110 -0.827 5.852 414 HZ PHE 53 HZ PHE 53 -4.249 -2.060 3.869 415 H VAL 54 HN VAL 54 -0.904 2.243 3.113 416 HA VAL 54 HA VAL 54 -0.758 3.946 0.655 417 HB VAL 54 HB VAL 54 1.504 3.018 2.397 418 1HG1 VAL 54 HG13 VAL 54 1.496 3.525 -0.557 419 2HG1 VAL 54 HG12 VAL 54 2.929 3.909 0.395 420 3HG1 VAL 54 HG11 VAL 54 2.319 2.254 0.349 421 1HG2 VAL 54 HG23 VAL 54 0.258 5.502 2.001 422 2HG2 VAL 54 HG22 VAL 54 1.780 5.205 2.836 423 3HG2 VAL 54 HG21 VAL 54 1.783 5.600 1.120 424 H ILE 55 HN ILE 55 -1.554 2.587 -0.854 425 HA ILE 55 HA ILE 55 -0.866 -0.311 -0.806 426 HB ILE 55 HB ILE 55 -2.684 1.418 -2.526 427 1HG1 ILE 55 HG12 ILE 55 -3.294 -1.037 -0.857 428 2HG1 ILE 55 HG11 ILE 55 -3.397 0.607 -0.224 429 1HG2 ILE 55 HG22 ILE 55 -1.501 -1.246 -3.071 430 2HG2 ILE 55 HG21 ILE 55 -3.239 -1.119 -3.324 431 3HG2 ILE 55 HG23 ILE 55 -2.142 -0.049 -4.193 432 1HD1 ILE 55 HD11 ILE 55 -4.887 -0.358 -2.682 433 2HD1 ILE 55 HD13 ILE 55 -5.593 -0.278 -1.067 434 3HD1 ILE 55 HD12 ILE 55 -5.072 1.200 -1.877 435 H SER 56 HN SER 56 1.471 0.271 -1.147 436 HA SER 56 HA SER 56 2.167 1.518 -3.715 437 1HB SER 56 HB2 SER 56 4.545 0.947 -2.871 438 2HB SER 56 HB1 SER 56 3.625 2.155 -1.980 439 HG SER 56 HG SER 56 2.961 0.402 -0.588 440 H ASP 57 HN ASP 57 3.467 0.478 -5.315 441 HA ASP 57 HA ASP 57 2.996 -2.460 -5.471 442 1HB ASP 57 HB2 ASP 57 2.776 -2.213 -7.732 443 2HB ASP 57 HB1 ASP 57 2.431 -0.536 -7.307 444 CH2 TRP 58 CH2 TRP 58 9.349 -6.994 -2.232 445 H TRP 58 HN TRP 58 4.840 -3.678 -6.591 446 HA TRP 58 HA TRP 58 7.257 -3.336 -5.107 447 1HB TRP 58 HB2 TRP 58 6.271 -5.391 -6.482 448 2HB TRP 58 HB1 TRP 58 7.292 -4.739 -7.760 449 HD1 TRP 58 HD1 TRP 58 9.764 -5.359 -7.680 450 HE1 TRP 58 HE1 TRP 58 11.321 -6.459 -5.945 451 HE3 TRP 58 HE3 TRP 58 6.603 -5.581 -3.675 452 HZ2 TRP 58 HZ2 TRP 58 11.235 -7.323 -3.219 453 HZ3 TRP 58 HZ3 TRP 58 7.371 -6.544 -1.524 454 HH2 TRP 58 HH2 TRP 58 9.674 -7.409 -1.293 455 H ASN 59 HN ASN 59 7.897 -1.131 -5.413 456 HA ASN 59 HA ASN 59 8.313 0.110 -7.945 457 1HB ASN 59 HB2 ASN 59 9.871 0.590 -5.388 458 2HB ASN 59 HB1 ASN 59 9.697 1.711 -6.738 459 1HD2 ASN 59 HD22 ASN 59 7.103 2.266 -3.942 460 2HD2 ASN 59 HD21 ASN 59 8.758 1.911 -3.822 461 H MET 60 HN MET 60 9.814 -0.335 -9.487 462 HA MET 60 HA MET 60 12.358 -1.647 -8.635 463 1HB MET 60 HB2 MET 60 10.492 -3.111 -9.782 464 2HB MET 60 HB1 MET 60 11.097 -2.352 -11.254 465 1HG MET 60 HG2 MET 60 13.384 -3.108 -10.704 466 2HG MET 60 HG1 MET 60 12.777 -3.870 -9.235 467 1HE MET 60 HE3 MET 60 12.553 -3.423 -12.871 468 2HE MET 60 HE2 MET 60 12.160 -4.982 -13.589 469 3HE MET 60 HE1 MET 60 10.874 -3.975 -12.931 470 HA PRO 61 HA PRO 61 12.730 1.855 -12.011 471 1HB PRO 61 HB2 PRO 61 13.769 3.702 -10.065 472 2HB PRO 61 HB1 PRO 61 12.323 3.891 -11.067 473 1HG PRO 61 HG2 PRO 61 12.476 3.302 -8.225 474 2HG PRO 61 HG1 PRO 61 11.040 3.630 -9.204 475 1HD PRO 61 HD2 PRO 61 11.800 1.119 -8.113 476 2HD PRO 61 HD1 PRO 61 10.505 1.440 -9.290 477 H ASN 62 HN ASN 62 14.600 1.805 -8.976 478 HA ASN 62 HA ASN 62 16.862 0.437 -10.228 479 1HB ASN 62 HB2 ASN 62 17.222 3.274 -9.204 480 2HB ASN 62 HB1 ASN 62 18.479 2.232 -9.873 481 1HD2 ASN 62 HD22 ASN 62 15.853 4.108 -12.393 482 2HD2 ASN 62 HD21 ASN 62 15.548 4.078 -10.724 483 H MET 63 HN MET 63 15.309 2.021 -7.544 484 HA MET 63 HA MET 63 16.064 0.018 -5.645 485 1HB MET 63 HB2 MET 63 17.530 1.409 -4.194 486 2HB MET 63 HB1 MET 63 18.279 1.088 -5.756 487 1HG MET 63 HG2 MET 63 18.581 3.328 -5.880 488 2HG MET 63 HG1 MET 63 16.857 3.409 -6.239 489 1HE MET 63 HE2 MET 63 19.549 3.224 -3.582 490 2HE MET 63 HE1 MET 63 19.528 4.898 -4.131 491 3HE MET 63 HE3 MET 63 19.109 4.508 -2.458 492 H ASP 64 HN ASP 64 14.040 0.063 -4.704 493 HA ASP 64 HA ASP 64 13.242 2.262 -3.048 494 1HB ASP 64 HB2 ASP 64 12.361 2.281 -5.869 495 2HB ASP 64 HB1 ASP 64 11.071 2.499 -4.691 496 H GLY 65 HN GLY 65 10.584 1.970 -2.790 497 1HA GLY 65 HA2 GLY 65 8.834 0.505 -2.191 498 2HA GLY 65 HA1 GLY 65 9.696 -0.780 -3.015 499 H LEU 66 HN LEU 66 11.720 -1.595 -1.811 500 HA LEU 66 HA LEU 66 10.972 -2.341 0.866 501 1HB LEU 66 HB2 LEU 66 13.162 -2.898 -0.987 502 2HB LEU 66 HB1 LEU 66 13.737 -2.733 0.671 503 HG LEU 66 HG LEU 66 13.085 -5.077 0.101 504 1HD1 LEU 66 HD13 LEU 66 12.359 -3.540 2.375 505 2HD1 LEU 66 HD12 LEU 66 11.005 -4.616 2.037 506 3HD1 LEU 66 HD11 LEU 66 12.616 -5.283 2.292 507 1HD2 LEU 66 HD23 LEU 66 10.927 -3.834 -1.159 508 2HD2 LEU 66 HD22 LEU 66 11.103 -5.563 -0.879 509 3HD2 LEU 66 HD21 LEU 66 10.209 -4.574 0.273 510 H GLU 67 HN GLU 67 13.822 -0.420 -0.171 511 HA GLU 67 HA GLU 67 14.468 0.660 2.342 512 1HB GLU 67 HB2 GLU 67 15.790 0.989 0.225 513 2HB GLU 67 HB1 GLU 67 14.570 2.147 -0.307 514 1HG GLU 67 HG2 GLU 67 15.007 3.517 1.714 515 2HG GLU 67 HG1 GLU 67 16.259 2.375 2.203 516 H LEU 68 HN LEU 68 11.765 1.183 0.321 517 HA LEU 68 HA LEU 68 10.935 3.770 1.318 518 1HB LEU 68 HB2 LEU 68 10.182 2.046 -0.727 519 2HB LEU 68 HB1 LEU 68 8.823 1.956 0.377 520 HG LEU 68 HG LEU 68 8.963 4.561 0.389 521 1HD1 LEU 68 HD11 LEU 68 10.482 3.835 -2.142 522 2HD1 LEU 68 HD13 LEU 68 9.821 5.433 -1.801 523 3HD1 LEU 68 HD12 LEU 68 11.098 4.770 -0.783 524 1HD2 LEU 68 HD22 LEU 68 7.141 3.177 -0.619 525 2HD2 LEU 68 HD21 LEU 68 7.474 4.630 -1.550 526 3HD2 LEU 68 HD23 LEU 68 8.080 3.074 -2.108 527 H LEU 69 HN LEU 69 9.569 0.510 1.811 528 HA LEU 69 HA LEU 69 7.810 1.002 3.905 529 1HB LEU 69 HB2 LEU 69 8.662 -1.203 2.658 530 2HB LEU 69 HB1 LEU 69 9.590 -1.379 4.139 531 HG LEU 69 HG LEU 69 6.593 -0.942 4.098 532 1HD1 LEU 69 HD13 LEU 69 8.156 -3.326 3.505 533 2HD1 LEU 69 HD12 LEU 69 7.112 -3.568 4.905 534 3HD1 LEU 69 HD11 LEU 69 6.418 -3.066 3.363 535 1HD2 LEU 69 HD21 LEU 69 8.575 -1.095 6.216 536 2HD2 LEU 69 HD23 LEU 69 6.851 -0.755 6.340 537 3HD2 LEU 69 HD22 LEU 69 7.429 -2.421 6.360 538 H LYS 70 HN LYS 70 11.153 -0.158 4.398 539 HA LYS 70 HA LYS 70 11.412 0.150 7.127 540 1HB LYS 70 HB2 LYS 70 13.174 -0.461 5.239 541 2HB LYS 70 HB1 LYS 70 13.644 1.227 5.447 542 1HG LYS 70 HG2 LYS 70 13.704 0.727 7.968 543 2HG LYS 70 HG1 LYS 70 13.647 -0.977 7.512 544 1HD LYS 70 HD2 LYS 70 15.617 -0.262 5.884 545 2HD LYS 70 HD1 LYS 70 15.819 1.035 7.062 546 1HE LYS 70 HE2 LYS 70 17.221 -0.833 7.730 547 2HE LYS 70 HE1 LYS 70 15.886 -0.698 8.874 548 1HZ LYS 70 HZ3 LYS 70 15.817 -2.489 6.514 549 2HZ LYS 70 HZ2 LYS 70 16.364 -2.994 8.042 550 3HZ LYS 70 HZ1 LYS 70 14.758 -2.476 7.840 551 H THR 71 HN THR 71 11.956 2.777 4.743 552 HA THR 71 HA THR 71 12.411 4.795 6.733 553 HB THR 71 HB THR 71 11.490 6.270 4.691 554 HG1 THR 71 HG1 THR 71 10.757 4.703 3.380 555 1HG2 THR 71 HG23 THR 71 14.097 4.761 4.918 556 2HG2 THR 71 HG22 THR 71 13.825 5.985 3.678 557 3HG2 THR 71 HG21 THR 71 13.761 6.428 5.384 558 H ILE 72 HN ILE 72 9.492 3.497 5.242 559 HA ILE 72 HA ILE 72 7.731 5.552 6.291 560 HB ILE 72 HB ILE 72 7.166 2.743 5.302 561 1HG1 ILE 72 HG12 ILE 72 6.504 5.322 3.889 562 2HG1 ILE 72 HG11 ILE 72 8.122 4.639 3.756 563 1HG2 ILE 72 HG22 ILE 72 5.467 4.819 6.522 564 2HG2 ILE 72 HG21 ILE 72 4.857 4.196 4.989 565 3HG2 ILE 72 HG23 ILE 72 5.167 3.092 6.329 566 1HD1 ILE 72 HD11 ILE 72 5.968 2.671 3.332 567 2HD1 ILE 72 HD13 ILE 72 5.999 3.964 2.137 568 3HD1 ILE 72 HD12 ILE 72 7.424 2.959 2.388 569 NH1 ARG 73 NH1 ARG 73 8.507 -0.852 13.810 570 NH2 ARG 73 NH2 ARG 73 8.717 -2.896 12.868 571 H ARG 73 HN ARG 73 9.152 2.640 7.550 572 HA ARG 73 HA ARG 73 7.229 2.460 9.777 573 1HB ARG 73 HB2 ARG 73 8.221 0.411 8.750 574 2HB ARG 73 HB1 ARG 73 9.808 0.932 9.315 575 1HG ARG 73 HG2 ARG 73 9.399 0.047 11.341 576 2HG ARG 73 HG1 ARG 73 7.970 1.066 11.512 577 1HD ARG 73 HD2 ARG 73 6.670 -0.603 10.184 578 2HD ARG 73 HD1 ARG 73 8.095 -1.640 10.149 579 HE ARG 73 HE ARG 73 6.265 -1.558 12.290 580 1HH1 ARG 73 HH11 ARG 73 8.068 0.045 13.842 581 2HH1 ARG 73 HH12 ARG 73 9.224 -1.081 14.467 582 1HH2 ARG 73 HH21 ARG 73 8.438 -3.564 12.178 583 2HH2 ARG 73 HH22 ARG 73 9.434 -3.126 13.526 584 H ALA 74 HN ALA 74 10.448 3.705 9.136 585 HA ALA 74 HA ALA 74 11.555 3.938 11.676 586 1HB ALA 74 HB1 ALA 74 11.974 5.151 9.160 587 2HB ALA 74 HB3 ALA 74 11.822 6.473 10.317 588 3HB ALA 74 HB2 ALA 74 13.036 5.219 10.566 589 H ASP 75 HN ASP 75 8.785 5.635 10.373 590 HA ASP 75 HA ASP 75 8.544 7.849 12.044 591 1HB ASP 75 HB2 ASP 75 6.908 7.150 10.261 592 2HB ASP 75 HB1 ASP 75 6.268 5.956 11.392 593 H GLY 76 HN GLY 76 8.446 8.092 14.223 594 1HA GLY 76 HA2 GLY 76 8.083 5.662 15.895 595 2HA GLY 76 HA1 GLY 76 8.743 7.200 16.450 596 H ALA 77 HN ALA 77 6.630 8.819 15.257 597 HA ALA 77 HA ALA 77 4.808 8.982 17.397 598 1HB ALA 77 HB2 ALA 77 5.243 10.422 15.095 599 2HB ALA 77 HB1 ALA 77 3.660 9.711 14.785 600 3HB ALA 77 HB3 ALA 77 3.914 10.707 16.219 601 H MET 78 HN MET 78 3.950 7.759 14.140 602 HA MET 78 HA MET 78 1.751 6.212 15.357 603 1HB MET 78 HB2 MET 78 2.491 7.094 12.618 604 2HB MET 78 HB1 MET 78 1.606 5.573 12.745 605 1HG MET 78 HG2 MET 78 0.171 7.677 12.528 606 2HG MET 78 HG1 MET 78 -0.217 6.616 13.883 607 1HE MET 78 HE2 MET 78 -1.406 8.195 15.357 608 2HE MET 78 HE1 MET 78 -0.950 9.872 15.650 609 3HE MET 78 HE3 MET 78 -1.380 9.341 14.018 610 H SER 79 HN SER 79 4.649 5.611 13.384 611 HA SER 79 HA SER 79 5.790 3.590 12.959 612 1HB SER 79 HB2 SER 79 6.343 4.123 15.370 613 2HB SER 79 HB1 SER 79 5.034 3.045 15.844 614 HG SER 79 HG SER 79 6.116 1.348 14.929 615 H ALA 80 HN ALA 80 2.704 3.666 12.795 616 HA ALA 80 HA ALA 80 2.398 0.716 12.554 617 1HB ALA 80 HB3 ALA 80 0.554 2.591 14.051 618 2HB ALA 80 HB2 ALA 80 0.044 0.998 13.491 619 3HB ALA 80 HB1 ALA 80 1.352 1.142 14.665 620 H LEU 81 HN LEU 81 2.275 3.644 11.050 621 HA LEU 81 HA LEU 81 -0.102 3.828 9.651 622 1HB LEU 81 HB2 LEU 81 2.412 4.935 9.358 623 2HB LEU 81 HB1 LEU 81 2.185 4.058 7.846 624 HG LEU 81 HG LEU 81 -0.064 5.153 7.608 625 1HD1 LEU 81 HD13 LEU 81 0.727 6.230 10.242 626 2HD1 LEU 81 HD12 LEU 81 0.109 7.438 9.117 627 3HD1 LEU 81 HD11 LEU 81 -0.876 6.039 9.535 628 1HD2 LEU 81 HD23 LEU 81 2.497 6.733 7.692 629 2HD2 LEU 81 HD22 LEU 81 1.596 6.153 6.291 630 3HD2 LEU 81 HD21 LEU 81 0.985 7.515 7.228 631 HA PRO 82 HA PRO 82 -0.034 -0.424 8.011 632 1HB PRO 82 HB2 PRO 82 -2.430 0.091 6.510 633 2HB PRO 82 HB1 PRO 82 -2.242 -0.882 7.971 634 1HG PRO 82 HG2 PRO 82 -3.472 1.705 7.728 635 2HG PRO 82 HG1 PRO 82 -3.279 0.731 9.190 636 1HD PRO 82 HD2 PRO 82 -1.883 3.137 8.479 637 2HD PRO 82 HD1 PRO 82 -1.676 2.153 9.941 638 H VAL 83 HN VAL 83 1.420 -0.739 6.404 639 HA VAL 83 HA VAL 83 0.962 0.602 3.759 640 HB VAL 83 HB VAL 83 3.457 -0.019 5.269 641 1HG1 VAL 83 HG11 VAL 83 3.140 -0.595 2.296 642 2HG1 VAL 83 HG13 VAL 83 4.691 -0.158 2.996 643 3HG1 VAL 83 HG12 VAL 83 3.883 -1.623 3.523 644 1HG2 VAL 83 HG22 VAL 83 2.380 2.252 4.369 645 2HG2 VAL 83 HG21 VAL 83 4.113 2.021 4.527 646 3HG2 VAL 83 HG23 VAL 83 3.352 1.819 2.955 647 H LEU 84 HN LEU 84 0.086 -0.828 2.355 648 HA LEU 84 HA LEU 84 0.618 -3.696 2.871 649 1HB LEU 84 HB2 LEU 84 -1.717 -2.451 2.209 650 2HB LEU 84 HB1 LEU 84 -1.153 -2.976 0.631 651 HG LEU 84 HG LEU 84 -2.499 -4.735 1.513 652 1HD1 LEU 84 HD12 LEU 84 -0.052 -5.232 0.586 653 2HD1 LEU 84 HD11 LEU 84 0.189 -5.843 2.217 654 3HD1 LEU 84 HD13 LEU 84 -1.070 -6.523 1.198 655 1HD2 LEU 84 HD21 LEU 84 -1.760 -3.847 4.015 656 2HD2 LEU 84 HD23 LEU 84 -2.604 -5.362 3.703 657 3HD2 LEU 84 HD22 LEU 84 -0.852 -5.352 3.882 658 H MET 85 HN MET 85 2.524 -4.252 1.935 659 HA MET 85 HA MET 85 3.404 -2.961 -0.505 660 1HB MET 85 HB2 MET 85 4.842 -4.016 1.383 661 2HB MET 85 HB1 MET 85 4.527 -5.551 0.573 662 1HG MET 85 HG2 MET 85 6.593 -4.703 -0.320 663 2HG MET 85 HG1 MET 85 5.368 -4.474 -1.567 664 1HE MET 85 HE1 MET 85 7.713 -3.413 -1.956 665 2HE MET 85 HE3 MET 85 7.687 -1.656 -2.159 666 3HE MET 85 HE2 MET 85 8.427 -2.371 -0.727 667 H VAL 86 HN VAL 86 1.952 -3.445 -2.227 668 HA VAL 86 HA VAL 86 1.183 -6.278 -2.640 669 HB VAL 86 HB VAL 86 -0.692 -5.513 -3.653 670 1HG1 VAL 86 HG11 VAL 86 -0.387 -4.236 -1.472 671 2HG1 VAL 86 HG13 VAL 86 0.064 -2.855 -2.465 672 3HG1 VAL 86 HG12 VAL 86 -1.547 -3.559 -2.609 673 1HG2 VAL 86 HG21 VAL 86 0.990 -3.294 -4.787 674 2HG2 VAL 86 HG23 VAL 86 0.247 -4.634 -5.657 675 3HG2 VAL 86 HG22 VAL 86 -0.754 -3.350 -4.985 676 H THR 87 HN THR 87 1.519 -7.331 -4.643 677 HA THR 87 HA THR 87 3.188 -5.948 -6.657 678 HB THR 87 HB THR 87 4.911 -6.786 -5.179 679 HG1 THR 87 HG1 THR 87 5.333 -8.803 -6.804 680 1HG2 THR 87 HG21 THR 87 3.407 -9.405 -5.380 681 2HG2 THR 87 HG23 THR 87 5.025 -9.250 -4.697 682 3HG2 THR 87 HG22 THR 87 3.665 -8.430 -3.934 683 H ALA 88 HN ALA 88 3.784 -7.780 -8.417 684 HA ALA 88 HA ALA 88 1.196 -9.144 -9.015 685 1HB ALA 88 HB3 ALA 88 3.050 -7.603 -10.590 686 2HB ALA 88 HB2 ALA 88 2.928 -9.230 -11.259 687 3HB ALA 88 HB1 ALA 88 1.477 -8.248 -11.060 688 H GLU 89 HN GLU 89 4.560 -9.804 -10.031 689 HA GLU 89 HA GLU 89 4.086 -12.679 -9.815 690 1HB GLU 89 HB2 GLU 89 6.558 -12.794 -10.399 691 2HB GLU 89 HB1 GLU 89 5.551 -11.954 -11.580 692 1HG GLU 89 HG2 GLU 89 6.579 -9.970 -11.208 693 2HG GLU 89 HG1 GLU 89 6.563 -10.194 -9.459 694 H ALA 90 HN ALA 90 3.550 -11.812 -7.347 695 HA ALA 90 HA ALA 90 5.588 -11.393 -5.479 696 1HB ALA 90 HB3 ALA 90 2.943 -11.704 -5.244 697 2HB ALA 90 HB2 ALA 90 3.434 -13.319 -4.733 698 3HB ALA 90 HB1 ALA 90 4.024 -11.902 -3.866 699 H LYS 91 HN LYS 91 7.473 -12.551 -5.484 700 HA LYS 91 HA LYS 91 7.452 -15.436 -6.047 701 1HB LYS 91 HB2 LYS 91 9.372 -13.345 -6.190 702 2HB LYS 91 HB1 LYS 91 9.973 -14.513 -5.012 703 1HG LYS 91 HG2 LYS 91 9.691 -16.332 -6.625 704 2HG LYS 91 HG1 LYS 91 9.002 -15.211 -7.799 705 1HD LYS 91 HD2 LYS 91 11.220 -13.889 -7.519 706 2HD LYS 91 HD1 LYS 91 11.842 -15.377 -6.804 707 1HE LYS 91 HE2 LYS 91 12.363 -15.794 -9.011 708 2HE LYS 91 HE1 LYS 91 10.724 -16.443 -8.986 709 1HZ LYS 91 HZ1 LYS 91 10.149 -13.951 -9.519 710 2HZ LYS 91 HZ3 LYS 91 11.722 -13.954 -10.153 711 3HZ LYS 91 HZ2 LYS 91 10.565 -15.045 -10.751 712 H LYS 92 HN LYS 92 8.956 -16.739 -4.377 713 HA LYS 92 HA LYS 92 7.504 -16.682 -1.859 714 1HB LYS 92 HB2 LYS 92 8.934 -18.580 -1.241 715 2HB LYS 92 HB1 LYS 92 8.317 -18.796 -2.879 716 1HG LYS 92 HG2 LYS 92 10.471 -17.742 -3.712 717 2HG LYS 92 HG1 LYS 92 11.077 -17.862 -2.061 718 1HD LYS 92 HD2 LYS 92 11.794 -19.919 -2.726 719 2HD LYS 92 HD1 LYS 92 10.117 -20.389 -2.441 720 1HE LYS 92 HE2 LYS 92 10.759 -21.143 -4.659 721 2HE LYS 92 HE1 LYS 92 9.610 -19.816 -4.829 722 1HZ LYS 92 HZ1 LYS 92 12.510 -19.291 -4.784 723 2HZ LYS 92 HZ3 LYS 92 11.751 -19.782 -6.219 724 3HZ LYS 92 HZ2 LYS 92 11.263 -18.348 -5.448 725 H GLU 93 HN GLU 93 10.709 -15.646 -2.936 726 HA GLU 93 HA GLU 93 11.496 -14.949 -0.217 727 1HB GLU 93 HB2 GLU 93 13.629 -14.361 -1.162 728 2HB GLU 93 HB1 GLU 93 13.108 -15.860 -1.933 729 1HG GLU 93 HG2 GLU 93 12.084 -14.370 -3.761 730 2HG GLU 93 HG1 GLU 93 13.042 -13.061 -3.065 731 H ASN 94 HN ASN 94 10.420 -13.311 -3.158 732 HA ASN 94 HA ASN 94 11.016 -10.649 -2.228 733 1HB ASN 94 HB2 ASN 94 9.343 -11.821 -4.417 734 2HB ASN 94 HB1 ASN 94 9.130 -10.123 -3.999 735 1HD2 ASN 94 HD22 ASN 94 11.833 -9.432 -6.173 736 2HD2 ASN 94 HD21 ASN 94 10.185 -9.197 -5.839 737 H ILE 95 HN ILE 95 8.387 -12.868 -1.637 738 HA ILE 95 HA ILE 95 6.482 -10.862 -0.766 739 HB ILE 95 HB ILE 95 6.695 -13.851 -0.484 740 1HG1 ILE 95 HG12 ILE 95 4.481 -12.083 -1.564 741 2HG1 ILE 95 HG11 ILE 95 5.813 -12.672 -2.558 742 1HG2 ILE 95 HG23 ILE 95 4.920 -11.955 1.044 743 2HG2 ILE 95 HG22 ILE 95 4.356 -13.576 0.640 744 3HG2 ILE 95 HG21 ILE 95 5.796 -13.366 1.636 745 1HD1 ILE 95 HD13 ILE 95 4.494 -14.763 -0.956 746 2HD1 ILE 95 HD12 ILE 95 3.454 -14.020 -2.171 747 3HD1 ILE 95 HD11 ILE 95 4.970 -14.780 -2.653 748 H ILE 96 HN ILE 96 8.971 -12.807 0.831 749 HA ILE 96 HA ILE 96 8.212 -11.850 3.494 750 HB ILE 96 HB ILE 96 10.556 -13.447 2.438 751 1HG1 ILE 96 HG12 ILE 96 8.615 -14.328 4.547 752 2HG1 ILE 96 HG11 ILE 96 8.086 -14.317 2.864 753 1HG2 ILE 96 HG22 ILE 96 10.043 -12.294 5.178 754 2HG2 ILE 96 HG21 ILE 96 10.993 -13.766 4.972 755 3HG2 ILE 96 HG23 ILE 96 11.531 -12.258 4.232 756 1HD1 ILE 96 HD12 ILE 96 10.739 -15.543 3.505 757 2HD1 ILE 96 HD11 ILE 96 9.281 -16.452 3.902 758 3HD1 ILE 96 HD13 ILE 96 9.589 -15.963 2.236 759 H ALA 97 HN ALA 97 10.049 -10.655 0.874 760 HA ALA 97 HA ALA 97 12.056 -9.184 2.275 761 1HB ALA 97 HB3 ALA 97 10.889 -9.180 -0.426 762 2HB ALA 97 HB2 ALA 97 11.543 -7.628 0.094 763 3HB ALA 97 HB1 ALA 97 12.576 -9.055 0.070 764 H ALA 98 HN ALA 98 8.802 -8.207 1.164 765 HA ALA 98 HA ALA 98 8.874 -5.554 2.187 766 1HB ALA 98 HB3 ALA 98 7.014 -6.786 0.783 767 2HB ALA 98 HB2 ALA 98 6.357 -7.176 2.372 768 3HB ALA 98 HB1 ALA 98 6.564 -5.493 1.892 769 H ALA 99 HN ALA 99 7.383 -8.432 3.684 770 HA ALA 99 HA ALA 99 6.881 -7.236 6.167 771 1HB ALA 99 HB1 ALA 99 5.992 -9.454 5.491 772 2HB ALA 99 HB3 ALA 99 7.612 -10.136 5.638 773 3HB ALA 99 HB2 ALA 99 6.779 -9.525 7.068 774 H GLN 100 HN GLN 100 9.885 -8.410 4.778 775 HA GLN 100 HA GLN 100 11.429 -8.833 7.111 776 1HB GLN 100 HB2 GLN 100 12.126 -8.963 4.582 777 2HB GLN 100 HB1 GLN 100 12.550 -7.263 4.790 778 1HG GLN 100 HG2 GLN 100 14.022 -7.853 6.674 779 2HG GLN 100 HG1 GLN 100 13.587 -9.552 6.489 780 1HE2 GLN 100 HE22 GLN 100 15.794 -10.093 3.783 781 2HE2 GLN 100 HE21 GLN 100 14.612 -10.754 4.806 782 H ALA 101 HN ALA 101 10.211 -5.971 5.572 783 HA ALA 101 HA ALA 101 11.553 -4.152 7.478 784 1HB ALA 101 HB2 ALA 101 11.035 -3.592 5.002 785 2HB ALA 101 HB1 ALA 101 9.356 -3.455 5.512 786 3HB ALA 101 HB3 ALA 101 10.573 -2.381 6.199 787 H GLY 102 HN GLY 102 8.611 -5.846 6.863 788 1HA GLY 102 HA2 GLY 102 6.890 -6.419 8.309 789 2HA GLY 102 HA1 GLY 102 7.727 -5.529 9.557 790 H ALA 103 HN ALA 103 5.786 -4.833 6.567 791 HA ALA 103 HA ALA 103 4.940 -2.307 7.893 792 1HB ALA 103 HB2 ALA 103 4.278 -3.631 5.260 793 2HB ALA 103 HB1 ALA 103 3.593 -2.103 5.785 794 3HB ALA 103 HB3 ALA 103 5.294 -2.242 5.510 795 H SER 104 HN SER 104 2.606 -3.448 5.961 796 HA SER 104 HA SER 104 0.766 -4.164 8.178 797 1HB SER 104 HB2 SER 104 0.233 -3.776 5.219 798 2HB SER 104 HB1 SER 104 -0.992 -4.021 6.459 799 HG SER 104 HG SER 104 -0.702 -2.030 7.150 800 H GLY 105 HN GLY 105 1.836 -5.271 5.059 801 1HA GLY 105 HA2 GLY 105 2.473 -7.911 5.536 802 2HA GLY 105 HA1 GLY 105 0.734 -7.939 5.262 803 OH TYR 106 OH TYR 106 1.607 -12.775 -3.135 804 H TYR 106 HN TYR 106 1.191 -9.127 3.239 805 HA TYR 106 HA TYR 106 1.872 -7.231 1.037 806 1HB TYR 106 HB2 TYR 106 3.760 -8.381 0.579 807 2HB TYR 106 HB1 TYR 106 3.377 -9.594 1.803 808 HD1 TYR 106 HD2 TYR 106 2.869 -8.622 -1.750 809 HD2 TYR 106 HD1 TYR 106 2.295 -11.669 1.224 810 HE1 TYR 106 HE2 TYR 106 2.269 -10.249 -3.517 811 HE2 TYR 106 HE1 TYR 106 1.692 -13.288 -0.547 812 HH TYR 106 HH TYR 106 1.565 -12.300 -3.968 813 H VAL 107 HN VAL 107 0.824 -7.722 -0.948 814 HA VAL 107 HA VAL 107 -1.097 -9.983 -0.926 815 HB VAL 107 HB VAL 107 -2.354 -8.111 0.078 816 1HG1 VAL 107 HG13 VAL 107 -0.832 -6.522 -1.546 817 2HG1 VAL 107 HG12 VAL 107 -2.365 -6.527 -2.411 818 3HG1 VAL 107 HG11 VAL 107 -2.299 -5.985 -0.736 819 1HG2 VAL 107 HG21 VAL 107 -3.503 -9.716 -1.435 820 2HG2 VAL 107 HG23 VAL 107 -4.234 -8.114 -1.495 821 3HG2 VAL 107 HG22 VAL 107 -3.173 -8.647 -2.795 822 H VAL 108 HN VAL 108 -0.995 -10.927 -2.894 823 HA VAL 108 HA VAL 108 0.554 -9.840 -5.021 824 HB VAL 108 HB VAL 108 -0.146 -12.296 -4.629 825 1HG1 VAL 108 HG11 VAL 108 -2.642 -11.475 -4.645 826 2HG1 VAL 108 HG13 VAL 108 -2.476 -11.609 -6.395 827 3HG1 VAL 108 HG12 VAL 108 -2.234 -13.027 -5.376 828 1HG2 VAL 108 HG23 VAL 108 1.075 -11.446 -6.643 829 2HG2 VAL 108 HG22 VAL 108 0.009 -12.801 -7.011 830 3HG2 VAL 108 HG21 VAL 108 -0.479 -11.157 -7.422 831 H LYS 109 HN LYS 109 -0.338 -9.229 -7.210 832 HA LYS 109 HA LYS 109 -3.058 -8.021 -7.064 833 1HB LYS 109 HB2 LYS 109 -2.269 -5.910 -7.256 834 2HB LYS 109 HB1 LYS 109 -0.676 -6.569 -6.912 835 1HG LYS 109 HG2 LYS 109 -0.326 -6.939 -9.361 836 2HG LYS 109 HG1 LYS 109 -1.894 -6.186 -9.675 837 1HD LYS 109 HD2 LYS 109 -1.140 -4.079 -9.186 838 2HD LYS 109 HD1 LYS 109 0.018 -4.649 -7.986 839 1HE LYS 109 HE2 LYS 109 1.579 -5.313 -9.653 840 2HE LYS 109 HE1 LYS 109 0.375 -5.195 -10.936 841 1HZ LYS 109 HZ2 LYS 109 0.290 -2.726 -10.011 842 2HZ LYS 109 HZ1 LYS 109 1.901 -3.092 -9.619 843 3HZ LYS 109 HZ3 LYS 109 1.374 -3.207 -11.227 844 HA PRO 110 HA PRO 110 -3.999 -6.474 -8.702 845 1HB PRO 110 HB2 PRO 110 -6.239 -7.308 -10.285 846 2HB PRO 110 HB1 PRO 110 -5.180 -5.918 -10.566 847 1HG PRO 110 HG2 PRO 110 -5.329 -8.281 -12.146 848 2HG PRO 110 HG1 PRO 110 -4.136 -6.984 -12.293 849 1HD PRO 110 HD2 PRO 110 -3.808 -9.671 -11.142 850 2HD PRO 110 HD1 PRO 110 -2.563 -8.501 -11.624 851 H PHE 111 HN PHE 111 -5.259 -6.677 -6.848 852 HA PHE 111 HA PHE 111 -6.400 -9.346 -6.231 853 1HB PHE 111 HB2 PHE 111 -6.970 -8.038 -4.013 854 2HB PHE 111 HB1 PHE 111 -5.318 -8.561 -4.312 855 HD1 PHE 111 HD1 PHE 111 -7.651 -5.677 -4.831 856 HD2 PHE 111 HD2 PHE 111 -3.600 -6.983 -4.338 857 HE1 PHE 111 HE1 PHE 111 -6.872 -3.324 -4.843 858 HE2 PHE 111 HE2 PHE 111 -2.822 -4.642 -4.334 859 HZ PHE 111 HZ PHE 111 -4.465 -2.799 -4.588 860 H THR 112 HN THR 112 -8.596 -9.493 -5.440 861 HA THR 112 HA THR 112 -10.411 -7.653 -6.889 862 HB THR 112 HB THR 112 -11.558 -9.794 -5.191 863 HG1 THR 112 HG1 THR 112 -9.534 -10.648 -6.061 864 1HG2 THR 112 HG22 THR 112 -12.686 -8.317 -6.983 865 2HG2 THR 112 HG21 THR 112 -11.873 -9.351 -8.158 866 3HG2 THR 112 HG23 THR 112 -13.031 -10.047 -7.023 867 H ALA 113 HN ALA 113 -11.956 -6.360 -5.712 868 HA ALA 113 HA ALA 113 -11.084 -5.173 -3.348 869 1HB ALA 113 HB3 ALA 113 -13.217 -4.738 -4.950 870 2HB ALA 113 HB2 ALA 113 -14.035 -5.512 -3.593 871 3HB ALA 113 HB1 ALA 113 -13.094 -4.043 -3.333 872 H ALA 114 HN ALA 114 -13.026 -8.108 -3.706 873 HA ALA 114 HA ALA 114 -13.514 -8.406 -0.878 874 1HB ALA 114 HB1 ALA 114 -14.550 -9.664 -2.995 875 2HB ALA 114 HB3 ALA 114 -13.250 -10.804 -2.657 876 3HB ALA 114 HB2 ALA 114 -14.463 -10.458 -1.424 877 H THR 115 HN THR 115 -10.888 -9.281 -3.050 878 HA THR 115 HA THR 115 -9.514 -10.926 -1.101 879 HB THR 115 HB THR 115 -8.623 -9.585 -3.655 880 HG1 THR 115 HG1 THR 115 -9.864 -11.815 -3.073 881 1HG2 THR 115 HG22 THR 115 -7.048 -11.188 -1.639 882 2HG2 THR 115 HG21 THR 115 -6.557 -11.071 -3.329 883 3HG2 THR 115 HG23 THR 115 -6.640 -9.619 -2.332 884 H LEU 116 HN LEU 116 -8.548 -7.646 -2.415 885 HA LEU 116 HA LEU 116 -6.726 -7.085 -0.373 886 1HB LEU 116 HB2 LEU 116 -8.003 -5.591 -2.399 887 2HB LEU 116 HB1 LEU 116 -8.367 -4.734 -0.908 888 HG LEU 116 HG LEU 116 -5.654 -5.333 -2.109 889 1HD1 LEU 116 HD12 LEU 116 -7.158 -3.220 -2.519 890 2HD1 LEU 116 HD11 LEU 116 -6.604 -2.745 -0.919 891 3HD1 LEU 116 HD13 LEU 116 -5.437 -3.009 -2.212 892 1HD2 LEU 116 HD21 LEU 116 -6.375 -5.025 0.744 893 2HD2 LEU 116 HD23 LEU 116 -4.910 -5.687 0.018 894 3HD2 LEU 116 HD22 LEU 116 -5.102 -3.944 0.186 895 H GLU 117 HN GLU 117 -10.290 -6.790 -0.294 896 HA GLU 117 HA GLU 117 -10.458 -5.519 2.240 897 1HB GLU 117 HB2 GLU 117 -12.393 -5.691 0.744 898 2HB GLU 117 HB1 GLU 117 -12.399 -7.443 0.939 899 1HG GLU 117 HG2 GLU 117 -12.391 -6.111 3.521 900 2HG GLU 117 HG1 GLU 117 -13.752 -5.574 2.536 901 H GLU 118 HN GLU 118 -10.564 -8.965 1.370 902 HA GLU 118 HA GLU 118 -10.951 -10.136 3.855 903 1HB GLU 118 HB2 GLU 118 -10.506 -11.268 1.578 904 2HB GLU 118 HB1 GLU 118 -8.795 -11.139 1.993 905 1HG GLU 118 HG2 GLU 118 -9.365 -13.259 2.826 906 2HG GLU 118 HG1 GLU 118 -9.508 -12.231 4.253 907 H LYS 119 HN LYS 119 -7.886 -8.856 2.560 908 HA LYS 119 HA LYS 119 -6.430 -9.529 5.003 909 1HB LYS 119 HB2 LYS 119 -5.816 -8.183 2.416 910 2HB LYS 119 HB1 LYS 119 -4.796 -7.768 3.794 911 1HG LYS 119 HG2 LYS 119 -4.198 -10.075 4.145 912 2HG LYS 119 HG1 LYS 119 -5.392 -10.620 2.965 913 1HD LYS 119 HD2 LYS 119 -4.164 -9.456 1.173 914 2HD LYS 119 HD1 LYS 119 -2.974 -8.896 2.347 915 1HE LYS 119 HE2 LYS 119 -3.585 -11.829 1.940 916 2HE LYS 119 HE1 LYS 119 -2.337 -10.987 1.021 917 1HZ LYS 119 HZ3 LYS 119 -2.224 -10.519 3.861 918 2HZ LYS 119 HZ2 LYS 119 -1.968 -12.141 3.426 919 3HZ LYS 119 HZ1 LYS 119 -0.982 -10.918 2.778 920 H LEU 120 HN LEU 120 -8.019 -6.668 3.671 921 HA LEU 120 HA LEU 120 -6.993 -4.766 5.543 922 1HB LEU 120 HB2 LEU 120 -8.606 -4.626 3.343 923 2HB LEU 120 HB1 LEU 120 -9.791 -4.414 4.624 924 HG LEU 120 HG LEU 120 -8.962 -2.230 3.923 925 1HD1 LEU 120 HD11 LEU 120 -9.286 -2.924 6.439 926 2HD1 LEU 120 HD13 LEU 120 -7.539 -2.701 6.520 927 3HD1 LEU 120 HD12 LEU 120 -8.578 -1.358 6.042 928 1HD2 LEU 120 HD22 LEU 120 -6.583 -3.486 3.421 929 2HD2 LEU 120 HD21 LEU 120 -6.773 -1.737 3.533 930 3HD2 LEU 120 HD23 LEU 120 -6.221 -2.655 4.932 931 H ASN 121 HN ASN 121 -9.725 -7.002 5.700 932 HA ASN 121 HA ASN 121 -10.743 -5.885 8.184 933 1HB ASN 121 HB2 ASN 121 -11.661 -7.724 6.267 934 2HB ASN 121 HB1 ASN 121 -11.487 -8.654 7.756 935 1HD2 ASN 121 HD22 ASN 121 -14.698 -6.381 7.423 936 2HD2 ASN 121 HD21 ASN 121 -13.795 -7.009 6.130 937 H LYS 122 HN LYS 122 -8.556 -8.525 7.322 938 HA LYS 122 HA LYS 122 -8.394 -9.534 10.050 939 1HB LYS 122 HB2 LYS 122 -7.733 -10.591 7.628 940 2HB LYS 122 HB1 LYS 122 -6.145 -10.078 8.198 941 1HG LYS 122 HG2 LYS 122 -8.082 -11.828 9.747 942 2HG LYS 122 HG1 LYS 122 -6.642 -12.396 8.903 943 1HD LYS 122 HD2 LYS 122 -5.358 -10.672 10.350 944 2HD LYS 122 HD1 LYS 122 -6.807 -10.644 11.354 945 1HE LYS 122 HE2 LYS 122 -5.840 -12.406 12.413 946 2HE LYS 122 HE1 LYS 122 -6.439 -13.336 11.040 947 1HZ LYS 122 HZ2 LYS 122 -4.092 -12.212 10.176 948 2HZ LYS 122 HZ1 LYS 122 -3.758 -12.718 11.764 949 3HZ LYS 122 HZ3 LYS 122 -4.332 -13.834 10.624 950 H ILE 123 HN ILE 123 -6.650 -7.186 8.106 951 HA ILE 123 HA ILE 123 -4.444 -6.917 9.999 952 HB ILE 123 HB ILE 123 -5.385 -5.206 7.679 953 1HG1 ILE 123 HG12 ILE 123 -2.869 -6.860 7.856 954 2HG1 ILE 123 HG11 ILE 123 -4.398 -7.596 7.380 955 1HG2 ILE 123 HG23 ILE 123 -3.460 -4.619 9.786 956 2HG2 ILE 123 HG22 ILE 123 -2.680 -4.679 8.211 957 3HG2 ILE 123 HG21 ILE 123 -4.029 -3.585 8.478 958 1HD1 ILE 123 HD12 ILE 123 -4.622 -5.893 5.575 959 2HD1 ILE 123 HD11 ILE 123 -3.045 -5.245 6.025 960 3HD1 ILE 123 HD13 ILE 123 -3.176 -6.884 5.386 961 H PHE 124 HN PHE 124 -7.521 -5.282 9.396 962 HA PHE 124 HA PHE 124 -6.916 -3.245 11.424 963 1HB PHE 124 HB2 PHE 124 -9.200 -3.756 9.538 964 2HB PHE 124 HB1 PHE 124 -9.411 -2.679 10.910 965 HD1 PHE 124 HD2 PHE 124 -6.049 -2.961 9.339 966 HD2 PHE 124 HD1 PHE 124 -9.758 -0.821 9.428 967 HE1 PHE 124 HE2 PHE 124 -4.997 -1.096 8.111 968 HE2 PHE 124 HE1 PHE 124 -8.706 1.047 8.169 969 HZ PHE 124 HZ PHE 124 -6.353 0.898 7.533 970 H GLU 125 HN GLU 125 -7.787 -6.403 11.630 971 HA GLU 125 HA GLU 125 -9.825 -6.143 13.716 972 1HB GLU 125 HB2 GLU 125 -9.837 -8.206 12.451 973 2HB GLU 125 HB1 GLU 125 -8.123 -8.473 12.772 974 1HG GLU 125 HG2 GLU 125 -9.862 -8.144 15.157 975 2HG GLU 125 HG1 GLU 125 -10.083 -9.630 14.232 976 H LYS 126 HN LYS 126 -6.377 -6.222 13.426 977 HA LYS 126 HA LYS 126 -6.018 -6.426 16.368 978 1HB LYS 126 HB2 LYS 126 -3.998 -6.295 14.101 979 2HB LYS 126 HB1 LYS 126 -3.594 -6.490 15.806 980 1HG LYS 126 HG2 LYS 126 -4.853 -8.597 15.884 981 2HG LYS 126 HG1 LYS 126 -5.311 -8.398 14.192 982 1HD LYS 126 HD2 LYS 126 -2.403 -8.284 14.865 983 2HD LYS 126 HD1 LYS 126 -3.191 -9.862 14.894 984 1HE LYS 126 HE2 LYS 126 -3.608 -8.020 12.553 985 2HE LYS 126 HE1 LYS 126 -2.149 -9.008 12.649 986 1HZ LYS 126 HZ1 LYS 126 -3.580 -10.964 12.940 987 2HZ LYS 126 HZ3 LYS 126 -4.951 -9.988 12.730 988 3HZ LYS 126 HZ2 LYS 126 -3.847 -10.186 11.453 989 H LEU 127 HN LEU 127 -6.102 -4.188 13.739 990 HA LEU 127 HA LEU 127 -4.755 -2.050 15.262 991 1HB LEU 127 HB2 LEU 127 -4.991 -2.571 12.557 992 2HB LEU 127 HB1 LEU 127 -6.184 -1.295 12.796 993 HG LEU 127 HG LEU 127 -3.279 -1.175 13.672 994 1HD1 LEU 127 HD11 LEU 127 -4.726 -0.363 11.215 995 2HD1 LEU 127 HD13 LEU 127 -3.628 0.843 11.887 996 3HD1 LEU 127 HD12 LEU 127 -3.022 -0.753 11.443 997 1HD2 LEU 127 HD23 LEU 127 -5.662 0.605 14.053 998 2HD2 LEU 127 HD22 LEU 127 -4.343 0.251 15.168 999 3HD2 LEU 127 HD21 LEU 127 -4.083 1.353 13.818 1000 H GLY 128 HN GLY 128 -7.963 -3.210 14.540 1001 1HA GLY 128 HA2 GLY 128 -10.087 -2.333 15.065 1002 2HA GLY 128 HA1 GLY 128 -9.297 -1.873 16.573 1003 H MET 129 HN MET 129 -10.143 -0.747 13.336 1004 HA MET 129 HA MET 129 -9.261 1.998 14.011 1005 1HB MET 129 HB2 MET 129 -10.072 0.555 11.531 1006 2HB MET 129 HB1 MET 129 -10.397 2.287 11.595 1007 1HG MET 129 HG2 MET 129 -7.696 1.195 12.364 1008 2HG MET 129 HG1 MET 129 -8.094 1.518 10.676 1009 1HE MET 129 HE2 MET 129 -5.803 2.588 12.256 1010 2HE MET 129 HE1 MET 129 -5.834 4.288 12.716 1011 3HE MET 129 HE3 MET 129 -6.517 3.062 13.795 Start of MODEL 4 Raw file had 1011 H/Q atoms Start of MODEL 4 1 H ALA 2 HN ALA 2 -13.719 -1.404 9.222 2 HA ALA 2 HA ALA 2 -12.407 0.517 10.757 3 1HB ALA 2 HB3 ALA 2 -11.592 -1.160 8.817 4 2HB ALA 2 HB2 ALA 2 -11.591 0.343 7.895 5 3HB ALA 2 HB1 ALA 2 -10.609 0.203 9.353 6 H ASP 3 HN ASP 3 -11.671 2.719 10.183 7 HA ASP 3 HA ASP 3 -13.693 4.544 9.588 8 1HB ASP 3 HB2 ASP 3 -10.868 4.640 9.943 9 2HB ASP 3 HB1 ASP 3 -11.231 5.538 8.469 10 H LYS 4 HN LYS 4 -14.791 5.040 7.694 11 HA LYS 4 HA LYS 4 -13.871 3.705 5.240 12 1HB LYS 4 HB2 LYS 4 -16.013 4.597 4.262 13 2HB LYS 4 HB1 LYS 4 -16.235 3.540 5.645 14 1HG LYS 4 HG2 LYS 4 -17.023 5.229 6.976 15 2HG LYS 4 HG1 LYS 4 -15.951 6.431 6.256 16 1HD LYS 4 HD2 LYS 4 -18.313 6.876 5.665 17 2HD LYS 4 HD1 LYS 4 -17.361 6.490 4.232 18 1HE LYS 4 HE2 LYS 4 -18.628 4.190 5.621 19 2HE LYS 4 HE1 LYS 4 -19.720 5.295 4.786 20 1HZ LYS 4 HZ1 LYS 4 -18.050 5.078 2.869 21 2HZ LYS 4 HZ3 LYS 4 -17.516 3.683 3.674 22 3HZ LYS 4 HZ2 LYS 4 -19.129 3.795 3.151 23 H GLU 5 HN GLU 5 -12.356 5.931 6.343 24 HA GLU 5 HA GLU 5 -12.246 7.573 3.891 25 1HB GLU 5 HB2 GLU 5 -12.805 8.640 6.662 26 2HB GLU 5 HB1 GLU 5 -11.995 9.636 5.452 27 1HG GLU 5 HG2 GLU 5 -13.888 9.283 3.901 28 2HG GLU 5 HG1 GLU 5 -14.703 8.311 5.126 29 H LEU 6 HN LEU 6 -10.566 5.500 4.943 30 HA LEU 6 HA LEU 6 -8.353 6.724 6.340 31 1HB LEU 6 HB2 LEU 6 -8.958 4.305 6.507 32 2HB LEU 6 HB1 LEU 6 -8.446 4.094 4.843 33 HG LEU 6 HG LEU 6 -6.171 4.864 5.460 34 1HD1 LEU 6 HD11 LEU 6 -7.540 5.254 8.081 35 2HD1 LEU 6 HD13 LEU 6 -5.871 4.689 8.103 36 3HD1 LEU 6 HD12 LEU 6 -6.274 6.217 7.321 37 1HD2 LEU 6 HD21 LEU 6 -7.497 2.496 6.713 38 2HD2 LEU 6 HD23 LEU 6 -6.232 2.550 5.488 39 3HD2 LEU 6 HD22 LEU 6 -5.835 2.853 7.179 40 H LYS 7 HN LYS 7 -6.406 7.495 5.440 41 HA LYS 7 HA LYS 7 -6.574 8.319 2.639 42 1HB LYS 7 HB2 LYS 7 -5.022 9.050 4.998 43 2HB LYS 7 HB1 LYS 7 -4.020 8.959 3.550 44 1HG LYS 7 HG2 LYS 7 -5.618 10.435 2.363 45 2HG LYS 7 HG1 LYS 7 -6.586 10.553 3.833 46 1HD LYS 7 HD2 LYS 7 -4.330 11.310 4.937 47 2HD LYS 7 HD1 LYS 7 -3.849 11.666 3.279 48 1HE LYS 7 HE2 LYS 7 -6.337 12.737 4.645 49 2HE LYS 7 HE1 LYS 7 -4.852 13.648 4.373 50 1HZ LYS 7 HZ1 LYS 7 -5.448 12.621 1.926 51 2HZ LYS 7 HZ3 LYS 7 -6.971 13.035 2.549 52 3HZ LYS 7 HZ2 LYS 7 -5.753 14.213 2.437 53 H PHE 8 HN PHE 8 -5.592 7.366 0.910 54 HA PHE 8 HA PHE 8 -3.619 5.196 1.440 55 1HB PHE 8 HB2 PHE 8 -5.637 5.495 -0.798 56 2HB PHE 8 HB1 PHE 8 -4.403 4.255 -0.739 57 HD1 PHE 8 HD2 PHE 8 -7.228 5.666 1.211 58 HD2 PHE 8 HD1 PHE 8 -4.830 2.228 0.350 59 HE1 PHE 8 HE2 PHE 8 -8.714 4.282 2.615 60 HE2 PHE 8 HE1 PHE 8 -6.312 0.825 1.779 61 HZ PHE 8 HZ PHE 8 -8.261 1.865 2.916 62 H LEU 9 HN LEU 9 -1.818 5.090 0.065 63 HA LEU 9 HA LEU 9 -1.526 7.369 -1.858 64 1HB LEU 9 HB2 LEU 9 -0.016 7.612 0.137 65 2HB LEU 9 HB1 LEU 9 0.722 6.079 -0.294 66 HG LEU 9 HG LEU 9 1.311 7.016 -2.533 67 1HD1 LEU 9 HD12 LEU 9 -0.173 9.335 -1.385 68 2HD1 LEU 9 HD11 LEU 9 1.231 9.684 -2.386 69 3HD1 LEU 9 HD13 LEU 9 -0.116 8.762 -3.051 70 1HD2 LEU 9 HD22 LEU 9 2.226 8.539 -0.098 71 2HD2 LEU 9 HD21 LEU 9 2.971 7.091 -0.786 72 3HD2 LEU 9 HD23 LEU 9 3.029 8.618 -1.665 73 H VAL 10 HN VAL 10 -1.668 6.497 -3.851 74 HA VAL 10 HA VAL 10 -0.688 3.721 -4.264 75 HB VAL 10 HB VAL 10 -1.988 5.134 -6.508 76 1HG1 VAL 10 HG12 VAL 10 -1.400 2.652 -6.282 77 2HG1 VAL 10 HG11 VAL 10 -2.716 2.551 -5.112 78 3HG1 VAL 10 HG13 VAL 10 -3.054 3.013 -6.780 79 1HG2 VAL 10 HG21 VAL 10 -3.343 4.688 -3.840 80 2HG2 VAL 10 HG23 VAL 10 -3.352 6.140 -4.839 81 3HG2 VAL 10 HG22 VAL 10 -4.255 4.716 -5.348 82 H VAL 11 HN VAL 11 1.522 3.910 -4.540 83 HA VAL 11 HA VAL 11 2.574 5.902 -6.419 84 HB VAL 11 HB VAL 11 4.172 3.846 -4.884 85 1HG1 VAL 11 HG13 VAL 11 4.811 6.132 -6.570 86 2HG1 VAL 11 HG12 VAL 11 5.492 6.324 -4.957 87 3HG1 VAL 11 HG11 VAL 11 5.878 4.896 -5.910 88 1HG2 VAL 11 HG23 VAL 11 3.143 6.522 -3.911 89 2HG2 VAL 11 HG22 VAL 11 2.766 4.940 -3.240 90 3HG2 VAL 11 HG21 VAL 11 4.397 5.592 -3.099 91 H ASP 12 HN ASP 12 2.686 5.243 -8.580 92 HA ASP 12 HA ASP 12 4.018 2.887 -9.416 93 1HB ASP 12 HB2 ASP 12 1.251 2.472 -8.546 94 2HB ASP 12 HB1 ASP 12 1.523 1.946 -10.205 95 H ASP 13 HN ASP 13 3.986 2.607 -11.703 96 HA ASP 13 HA ASP 13 3.019 4.946 -13.217 97 1HB ASP 13 HB2 ASP 13 5.227 3.426 -13.555 98 2HB ASP 13 HB1 ASP 13 4.127 2.524 -14.593 99 H PHE 14 HN PHE 14 0.995 3.822 -12.033 100 HA PHE 14 HA PHE 14 -0.559 1.856 -12.380 101 1HB PHE 14 HB2 PHE 14 -2.445 3.144 -12.382 102 2HB PHE 14 HB1 PHE 14 -1.247 4.345 -11.958 103 HD1 PHE 14 HD2 PHE 14 -0.034 5.248 -14.348 104 HD2 PHE 14 HD1 PHE 14 -4.089 3.928 -13.828 105 HE1 PHE 14 HE2 PHE 14 -0.724 6.618 -16.286 106 HE2 PHE 14 HE1 PHE 14 -4.775 5.300 -15.771 107 HZ PHE 14 HZ PHE 14 -3.095 6.644 -17.003 108 H SER 15 HN SER 15 -0.042 3.762 -15.374 109 HA SER 15 HA SER 15 -0.426 3.093 -17.587 110 1HB SER 15 HB2 SER 15 0.433 1.025 -18.132 111 2HB SER 15 HB1 SER 15 1.057 1.125 -16.487 112 HG SER 15 HG SER 15 -0.659 -0.628 -17.516 113 H THR 16 HN THR 16 -2.463 2.664 -15.085 114 HA THR 16 HA THR 16 -4.909 2.955 -15.706 115 HB THR 16 HB THR 16 -5.934 0.852 -16.676 116 HG1 THR 16 HG1 THR 16 -3.361 0.138 -16.570 117 1HG2 THR 16 HG23 THR 16 -4.411 3.008 -17.968 118 2HG2 THR 16 HG22 THR 16 -4.710 1.620 -19.013 119 3HG2 THR 16 HG21 THR 16 -6.062 2.462 -18.257 120 H MET 17 HN MET 17 -3.086 1.968 -13.537 121 HA MET 17 HA MET 17 -4.748 -0.175 -12.320 122 1HB MET 17 HB2 MET 17 -2.212 -0.197 -12.113 123 2HB MET 17 HB1 MET 17 -2.362 1.240 -11.104 124 1HG MET 17 HG2 MET 17 -2.277 -0.634 -9.625 125 2HG MET 17 HG1 MET 17 -3.939 -0.052 -9.629 126 1HE MET 17 HE3 MET 17 -1.372 -2.405 -11.030 127 2HE MET 17 HE2 MET 17 -1.947 -3.180 -9.556 128 3HE MET 17 HE1 MET 17 -2.209 -3.962 -11.111 129 NH1 ARG 18 NH2 ARG 18 -5.857 7.310 -13.908 130 NH2 ARG 18 NH1 ARG 18 -4.043 8.242 -14.882 131 H ARG 18 HN ARG 18 -3.377 2.892 -11.132 132 HA ARG 18 HA ARG 18 -4.869 3.544 -8.988 133 1HB ARG 18 HB2 ARG 18 -4.059 5.617 -9.341 134 2HB ARG 18 HB1 ARG 18 -3.375 4.973 -10.821 135 1HG ARG 18 HG2 ARG 18 -5.492 5.618 -12.018 136 2HG ARG 18 HG1 ARG 18 -6.022 6.422 -10.533 137 1HD ARG 18 HD2 ARG 18 -4.959 8.225 -11.421 138 2HD ARG 18 HD1 ARG 18 -3.504 7.433 -10.820 139 HE ARG 18 HE ARG 18 -2.957 6.808 -13.055 140 1HH1 ARG 18 HH21 ARG 18 -6.269 6.804 -13.151 141 2HH1 ARG 18 HH22 ARG 18 -6.423 7.607 -14.678 142 1HH2 ARG 18 HH11 ARG 18 -3.064 8.448 -14.871 143 2HH2 ARG 18 HH12 ARG 18 -4.607 8.539 -15.653 144 NH1 ARG 19 NH1 ARG 19 -9.447 1.646 -17.772 145 NH2 ARG 19 NH2 ARG 19 -11.480 1.751 -16.791 146 H ARG 19 HN ARG 19 -6.128 3.450 -12.302 147 HA ARG 19 HA ARG 19 -8.579 4.745 -11.531 148 1HB ARG 19 HB2 ARG 19 -9.422 4.008 -13.758 149 2HB ARG 19 HB1 ARG 19 -7.856 4.813 -13.861 150 1HG ARG 19 HG2 ARG 19 -7.126 2.996 -14.975 151 2HG ARG 19 HG1 ARG 19 -7.215 2.129 -13.445 152 1HD ARG 19 HD2 ARG 19 -8.486 0.944 -15.196 153 2HD ARG 19 HD1 ARG 19 -9.564 1.527 -13.926 154 HE ARG 19 HE ARG 19 -9.780 3.572 -15.632 155 1HH1 ARG 19 HH11 ARG 19 -8.465 1.838 -17.753 156 2HH1 ARG 19 HH12 ARG 19 -9.850 1.182 -18.560 157 1HH2 ARG 19 HH21 ARG 19 -12.056 2.023 -16.021 158 2HH2 ARG 19 HH22 ARG 19 -11.884 1.288 -17.579 159 H ILE 20 HN ILE 20 -7.588 1.357 -11.886 160 HA ILE 20 HA ILE 20 -10.193 0.220 -11.475 161 HB ILE 20 HB ILE 20 -7.374 -0.739 -11.434 162 1HG1 ILE 20 HG12 ILE 20 -9.893 -2.006 -12.532 163 2HG1 ILE 20 HG11 ILE 20 -8.986 -0.770 -13.402 164 1HG2 ILE 20 HG23 ILE 20 -9.632 -2.133 -9.971 165 2HG2 ILE 20 HG22 ILE 20 -8.245 -3.008 -10.613 166 3HG2 ILE 20 HG21 ILE 20 -8.007 -1.776 -9.378 167 1HD1 ILE 20 HD12 ILE 20 -6.959 -2.194 -13.288 168 2HD1 ILE 20 HD11 ILE 20 -7.896 -3.440 -12.461 169 3HD1 ILE 20 HD13 ILE 20 -8.280 -3.008 -14.127 170 H VAL 21 HN VAL 21 -7.449 0.667 -9.207 171 HA VAL 21 HA VAL 21 -8.873 -0.204 -6.910 172 HB VAL 21 HB VAL 21 -7.042 1.729 -6.016 173 1HG1 VAL 21 HG11 VAL 21 -6.797 -1.256 -6.493 174 2HG1 VAL 21 HG13 VAL 21 -5.676 -0.314 -5.510 175 3HG1 VAL 21 HG12 VAL 21 -7.364 -0.468 -5.021 176 1HG2 VAL 21 HG22 VAL 21 -6.327 1.847 -8.440 177 2HG2 VAL 21 HG21 VAL 21 -5.054 1.336 -7.333 178 3HG2 VAL 21 HG23 VAL 21 -5.889 0.144 -8.330 179 NH1 ARG 22 NH1 ARG 22 -11.473 7.978 -9.874 180 NH2 ARG 22 NH2 ARG 22 -12.731 8.887 -8.230 181 H ARG 22 HN ARG 22 -8.787 2.917 -8.523 182 HA ARG 22 HA ARG 22 -9.763 4.621 -6.524 183 1HB ARG 22 HB2 ARG 22 -9.829 4.533 -9.445 184 2HB ARG 22 HB1 ARG 22 -11.249 5.329 -8.771 185 1HG ARG 22 HG2 ARG 22 -8.417 5.999 -7.932 186 2HG ARG 22 HG1 ARG 22 -9.279 6.865 -9.203 187 1HD ARG 22 HD2 ARG 22 -10.945 6.617 -6.845 188 2HD ARG 22 HD1 ARG 22 -9.402 7.368 -6.437 189 HE ARG 22 HE ARG 22 -10.073 9.261 -7.672 190 1HH1 ARG 22 HH11 ARG 22 -10.595 7.629 -10.200 191 2HH1 ARG 22 HH12 ARG 22 -12.266 7.982 -10.483 192 1HH2 ARG 22 HH21 ARG 22 -12.817 9.233 -7.297 193 2HH2 ARG 22 HH22 ARG 22 -13.524 8.891 -8.840 194 H ASN 23 HN ASN 23 -11.718 2.650 -8.771 195 HA ASN 23 HA ASN 23 -14.216 3.199 -7.446 196 1HB ASN 23 HB2 ASN 23 -13.324 2.070 -9.820 197 2HB ASN 23 HB1 ASN 23 -14.026 0.727 -8.958 198 1HD2 ASN 23 HD22 ASN 23 -17.289 1.744 -9.793 199 2HD2 ASN 23 HD21 ASN 23 -16.209 0.474 -9.475 200 H LEU 24 HN LEU 24 -12.267 0.253 -7.752 201 HA LEU 24 HA LEU 24 -13.583 -1.513 -6.132 202 1HB LEU 24 HB2 LEU 24 -11.284 -1.639 -7.369 203 2HB LEU 24 HB1 LEU 24 -10.622 -1.140 -5.834 204 HG LEU 24 HG LEU 24 -12.524 -3.415 -5.652 205 1HD1 LEU 24 HD13 LEU 24 -9.915 -3.670 -7.164 206 2HD1 LEU 24 HD12 LEU 24 -10.848 -5.035 -6.551 207 3HD1 LEU 24 HD11 LEU 24 -11.534 -3.983 -7.788 208 1HD2 LEU 24 HD22 LEU 24 -9.961 -2.564 -4.399 209 2HD2 LEU 24 HD21 LEU 24 -11.355 -3.362 -3.684 210 3HD2 LEU 24 HD23 LEU 24 -10.174 -4.297 -4.593 211 H LEU 25 HN LEU 25 -11.268 0.948 -4.913 212 HA LEU 25 HA LEU 25 -11.656 0.327 -2.128 213 1HB LEU 25 HB2 LEU 25 -10.558 2.645 -3.669 214 2HB LEU 25 HB1 LEU 25 -10.976 2.902 -1.980 215 HG LEU 25 HG LEU 25 -9.384 0.470 -2.697 216 1HD1 LEU 25 HD11 LEU 25 -8.275 3.283 -2.445 217 2HD1 LEU 25 HD13 LEU 25 -7.299 1.813 -2.442 218 3HD1 LEU 25 HD12 LEU 25 -8.214 2.261 -3.882 219 1HD2 LEU 25 HD21 LEU 25 -10.324 1.122 -0.373 220 2HD2 LEU 25 HD23 LEU 25 -8.625 0.659 -0.460 221 3HD2 LEU 25 HD22 LEU 25 -9.071 2.363 -0.363 222 H LYS 26 HN LYS 26 -13.066 2.934 -4.144 223 HA LYS 26 HA LYS 26 -14.830 3.960 -2.221 224 1HB LYS 26 HB2 LYS 26 -14.381 4.907 -4.526 225 2HB LYS 26 HB1 LYS 26 -15.466 3.673 -5.168 226 1HG LYS 26 HG2 LYS 26 -17.227 4.538 -3.551 227 2HG LYS 26 HG1 LYS 26 -16.147 5.897 -3.230 228 1HD LYS 26 HD2 LYS 26 -16.102 6.078 -5.866 229 2HD LYS 26 HD1 LYS 26 -17.630 5.207 -5.742 230 1HE LYS 26 HE2 LYS 26 -16.963 7.804 -4.323 231 2HE LYS 26 HE1 LYS 26 -18.003 7.646 -5.738 232 1HZ LYS 26 HZ2 LYS 26 -19.023 5.829 -4.007 233 2HZ LYS 26 HZ1 LYS 26 -18.578 7.106 -2.979 234 3HZ LYS 26 HZ3 LYS 26 -19.640 7.389 -4.270 235 H GLU 27 HN GLU 27 -15.041 1.026 -4.130 236 HA GLU 27 HA GLU 27 -17.793 0.481 -3.876 237 1HB GLU 27 HB2 GLU 27 -15.852 -0.800 -5.134 238 2HB GLU 27 HB1 GLU 27 -15.802 -1.743 -3.644 239 1HG GLU 27 HG2 GLU 27 -17.397 -2.955 -4.790 240 2HG GLU 27 HG1 GLU 27 -18.448 -1.769 -4.013 241 H LEU 28 HN LEU 28 -15.125 -0.010 -1.620 242 HA LEU 28 HA LEU 28 -16.863 -1.384 0.312 243 1HB LEU 28 HB2 LEU 28 -14.040 -1.088 -0.094 244 2HB LEU 28 HB1 LEU 28 -14.438 -0.529 1.531 245 HG LEU 28 HG LEU 28 -15.341 -3.178 0.365 246 1HD1 LEU 28 HD12 LEU 28 -12.813 -2.363 1.498 247 2HD1 LEU 28 HD11 LEU 28 -13.593 -3.537 2.559 248 3HD1 LEU 28 HD13 LEU 28 -13.284 -3.942 0.870 249 1HD2 LEU 28 HD23 LEU 28 -16.211 -1.641 2.601 250 2HD2 LEU 28 HD22 LEU 28 -16.691 -3.282 2.167 251 3HD2 LEU 28 HD21 LEU 28 -15.310 -3.019 3.234 252 H GLY 29 HN GLY 29 -14.942 1.625 0.387 253 1HA GLY 29 HA2 GLY 29 -16.785 3.475 1.148 254 2HA GLY 29 HA1 GLY 29 -16.482 2.595 2.642 255 H PHE 30 HN PHE 30 -14.731 4.311 0.046 256 HA PHE 30 HA PHE 30 -13.042 5.522 2.137 257 1HB PHE 30 HB2 PHE 30 -11.942 3.743 -0.053 258 2HB PHE 30 HB1 PHE 30 -10.951 4.926 0.791 259 HD1 PHE 30 HD2 PHE 30 -10.896 4.810 3.369 260 HD2 PHE 30 HD1 PHE 30 -12.331 1.624 0.881 261 HE1 PHE 30 HE2 PHE 30 -10.585 3.207 5.237 262 HE2 PHE 30 HE1 PHE 30 -12.026 0.021 2.749 263 HZ PHE 30 HZ PHE 30 -11.152 0.814 4.929 264 H ASN 31 HN ASN 31 -12.376 7.596 1.517 265 HA ASN 31 HA ASN 31 -12.606 8.357 -1.341 266 1HB ASN 31 HB2 ASN 31 -14.823 8.738 -0.026 267 2HB ASN 31 HB1 ASN 31 -13.957 10.073 0.736 268 1HD2 ASN 31 HD22 ASN 31 -15.563 11.542 -2.249 269 2HD2 ASN 31 HD21 ASN 31 -16.056 10.921 -0.749 270 H ASN 32 HN ASN 32 -10.190 8.246 -0.501 271 HA ASN 32 HA ASN 32 -9.220 10.948 -0.389 272 1HB ASN 32 HB2 ASN 32 -10.064 10.344 2.052 273 2HB ASN 32 HB1 ASN 32 -8.535 9.473 2.133 274 1HD2 ASN 32 HD22 ASN 32 -8.211 13.186 3.082 275 2HD2 ASN 32 HD21 ASN 32 -9.409 12.057 3.501 276 H VAL 33 HN VAL 33 -7.820 10.251 -2.044 277 HA VAL 33 HA VAL 33 -5.552 8.584 -1.134 278 HB VAL 33 HB VAL 33 -6.979 6.894 -2.069 279 1HG1 VAL 33 HG12 VAL 33 -7.301 8.794 -4.408 280 2HG1 VAL 33 HG11 VAL 33 -7.944 7.152 -4.345 281 3HG1 VAL 33 HG13 VAL 33 -8.543 8.377 -3.227 282 1HG2 VAL 33 HG21 VAL 33 -4.513 7.098 -2.872 283 2HG2 VAL 33 HG23 VAL 33 -5.588 6.033 -3.775 284 3HG2 VAL 33 HG22 VAL 33 -5.209 7.639 -4.396 285 H GLU 34 HN GLU 34 -3.620 8.967 -2.344 286 HA GLU 34 HA GLU 34 -3.833 11.101 -4.440 287 1HB GLU 34 HB2 GLU 34 -1.619 10.742 -2.420 288 2HB GLU 34 HB1 GLU 34 -1.678 11.974 -3.673 289 1HG GLU 34 HG2 GLU 34 -4.037 12.493 -2.560 290 2HG GLU 34 HG1 GLU 34 -3.272 11.763 -1.150 291 H GLU 35 HN GLU 35 -1.201 11.006 -5.314 292 HA GLU 35 HA GLU 35 -0.622 8.170 -5.926 293 1HB GLU 35 HB2 GLU 35 -1.385 10.224 -8.022 294 2HB GLU 35 HB1 GLU 35 -0.593 8.697 -8.399 295 1HG GLU 35 HG2 GLU 35 -2.837 8.149 -8.701 296 2HG GLU 35 HG1 GLU 35 -2.582 7.644 -7.035 297 H ALA 36 HN ALA 36 1.424 7.892 -7.007 298 HA ALA 36 HA ALA 36 3.193 10.238 -7.265 299 1HB ALA 36 HB1 ALA 36 3.203 8.568 -4.926 300 2HB ALA 36 HB3 ALA 36 4.714 8.342 -5.807 301 3HB ALA 36 HB2 ALA 36 4.226 9.954 -5.287 302 H GLU 37 HN GLU 37 5.596 8.843 -7.614 303 HA GLU 37 HA GLU 37 4.958 6.670 -9.536 304 1HB GLU 37 HB2 GLU 37 6.377 7.787 -11.275 305 2HB GLU 37 HB1 GLU 37 4.874 8.640 -10.924 306 1HG GLU 37 HG2 GLU 37 6.114 10.122 -9.362 307 2HG GLU 37 HG1 GLU 37 7.614 9.313 -9.815 308 H ASP 38 HN ASP 38 6.728 7.314 -6.927 309 HA ASP 38 HA ASP 38 8.654 5.284 -7.479 310 1HB ASP 38 HB2 ASP 38 9.884 6.676 -8.910 311 2HB ASP 38 HB1 ASP 38 9.535 8.120 -7.962 312 H GLY 39 HN GLY 39 9.946 4.825 -5.628 313 1HA GLY 39 HA2 GLY 39 8.856 5.328 -3.118 314 2HA GLY 39 HA1 GLY 39 10.555 4.935 -3.363 315 H VAL 40 HN VAL 40 11.614 7.069 -4.593 316 HA VAL 40 HA VAL 40 11.924 8.999 -2.549 317 HB VAL 40 HB VAL 40 12.247 9.623 -5.492 318 1HG1 VAL 40 HG13 VAL 40 12.720 11.109 -3.218 319 2HG1 VAL 40 HG12 VAL 40 14.301 10.393 -3.533 320 3HG1 VAL 40 HG11 VAL 40 13.512 11.365 -4.774 321 1HG2 VAL 40 HG23 VAL 40 14.026 7.969 -3.676 322 2HG2 VAL 40 HG22 VAL 40 13.275 7.452 -5.185 323 3HG2 VAL 40 HG21 VAL 40 14.565 8.654 -5.208 324 H ASP 41 HN ASP 41 9.576 8.751 -5.168 325 HA ASP 41 HA ASP 41 8.550 11.440 -4.864 326 1HB ASP 41 HB2 ASP 41 8.271 9.722 -6.823 327 2HB ASP 41 HB1 ASP 41 6.916 9.131 -5.868 328 H ALA 42 HN ALA 42 7.565 8.230 -3.663 329 HA ALA 42 HA ALA 42 5.240 9.059 -2.264 330 1HB ALA 42 HB2 ALA 42 6.421 6.671 -2.665 331 2HB ALA 42 HB1 ALA 42 6.963 6.976 -1.015 332 3HB ALA 42 HB3 ALA 42 5.239 6.934 -1.381 333 H LEU 43 HN LEU 43 8.510 8.511 -0.931 334 HA LEU 43 HA LEU 43 8.129 9.432 1.650 335 1HB LEU 43 HB2 LEU 43 10.304 8.669 0.261 336 2HB LEU 43 HB1 LEU 43 10.583 10.406 0.260 337 HG LEU 43 HG LEU 43 11.689 9.457 2.196 338 1HD1 LEU 43 HD12 LEU 43 10.293 11.636 2.356 339 2HD1 LEU 43 HD11 LEU 43 9.167 10.673 3.312 340 3HD1 LEU 43 HD13 LEU 43 10.829 10.882 3.857 341 1HD2 LEU 43 HD23 LEU 43 9.540 7.647 2.197 342 2HD2 LEU 43 HD22 LEU 43 10.857 7.720 3.363 343 3HD2 LEU 43 HD21 LEU 43 9.352 8.575 3.683 344 H ASN 44 HN ASN 44 8.737 11.442 -1.240 345 HA ASN 44 HA ASN 44 8.653 13.905 0.319 346 1HB ASN 44 HB2 ASN 44 8.905 13.192 -2.569 347 2HB ASN 44 HB1 ASN 44 8.356 14.820 -2.167 348 1HD2 ASN 44 HD22 ASN 44 12.226 13.750 -1.427 349 2HD2 ASN 44 HD21 ASN 44 11.099 12.591 -1.944 350 H LYS 45 HN LYS 45 6.320 12.039 -1.561 351 HA LYS 45 HA LYS 45 4.313 14.188 -1.313 352 1HB LYS 45 HB2 LYS 45 4.547 11.660 -2.842 353 2HB LYS 45 HB1 LYS 45 2.919 12.090 -2.329 354 1HG LYS 45 HG2 LYS 45 4.668 14.178 -3.604 355 2HG LYS 45 HG1 LYS 45 3.830 13.002 -4.615 356 1HD LYS 45 HD2 LYS 45 1.711 13.750 -3.976 357 2HD LYS 45 HD1 LYS 45 2.305 14.466 -2.479 358 1HE LYS 45 HE2 LYS 45 3.418 15.585 -4.996 359 2HE LYS 45 HE1 LYS 45 1.721 15.934 -4.670 360 1HZ LYS 45 HZ2 LYS 45 3.140 16.257 -2.289 361 2HZ LYS 45 HZ1 LYS 45 3.991 17.090 -3.500 362 3HZ LYS 45 HZ3 LYS 45 2.359 17.450 -3.212 363 H LEU 46 HN LEU 46 5.367 11.648 0.666 364 HA LEU 46 HA LEU 46 2.733 10.930 1.677 365 1HB LEU 46 HB2 LEU 46 5.367 9.903 1.994 366 2HB LEU 46 HB1 LEU 46 4.851 10.411 3.592 367 HG LEU 46 HG LEU 46 2.601 9.058 2.662 368 1HD1 LEU 46 HD11 LEU 46 4.304 8.300 0.775 369 2HD1 LEU 46 HD13 LEU 46 4.859 7.209 2.042 370 3HD1 LEU 46 HD12 LEU 46 3.183 7.151 1.507 371 1HD2 LEU 46 HD23 LEU 46 4.940 7.980 4.238 372 2HD2 LEU 46 HD22 LEU 46 3.595 8.913 4.896 373 3HD2 LEU 46 HD21 LEU 46 3.309 7.307 4.225 374 H GLN 47 HN GLN 47 4.889 13.522 2.143 375 HA GLN 47 HA GLN 47 4.056 14.172 4.867 376 1HB GLN 47 HB2 GLN 47 5.628 15.620 2.734 377 2HB GLN 47 HB1 GLN 47 5.161 16.422 4.234 378 1HG GLN 47 HG2 GLN 47 6.404 13.730 4.488 379 2HG GLN 47 HG1 GLN 47 7.464 15.050 3.994 380 1HE2 GLN 47 HE22 GLN 47 7.757 15.495 7.542 381 2HE2 GLN 47 HE21 GLN 47 8.497 14.773 6.196 382 H ALA 48 HN ALA 48 2.450 14.225 1.993 383 HA ALA 48 HA ALA 48 1.224 16.676 1.657 384 1HB ALA 48 HB1 ALA 48 0.765 14.482 0.412 385 2HB ALA 48 HB3 ALA 48 -0.378 14.115 1.704 386 3HB ALA 48 HB2 ALA 48 -0.625 15.533 0.685 387 H GLY 49 HN GLY 49 -0.123 14.116 3.787 388 1HA GLY 49 HA2 GLY 49 -0.774 16.151 5.808 389 2HA GLY 49 HA1 GLY 49 -2.171 15.413 5.027 390 H GLY 50 HN GLY 50 0.560 13.358 5.269 391 1HA GLY 50 HA2 GLY 50 1.116 11.681 6.867 392 2HA GLY 50 HA1 GLY 50 -0.191 12.269 7.899 393 OH TYR 51 OH TYR 51 -1.032 11.756 -0.440 394 H TYR 51 HN TYR 51 0.692 9.935 5.536 395 HA TYR 51 HA TYR 51 -2.073 9.225 4.862 396 1HB TYR 51 HB2 TYR 51 0.633 8.087 4.165 397 2HB TYR 51 HB1 TYR 51 -0.863 7.265 3.726 398 HD1 TYR 51 HD2 TYR 51 0.949 10.486 3.447 399 HD2 TYR 51 HD1 TYR 51 -2.145 7.973 1.858 400 HE1 TYR 51 HE2 TYR 51 0.683 12.035 1.534 401 HE2 TYR 51 HE1 TYR 51 -2.419 9.528 -0.059 402 HH TYR 51 HH TYR 51 -0.185 12.180 -0.597 403 H GLY 52 HN GLY 52 -3.174 7.449 5.631 404 1HA GLY 52 HA2 GLY 52 -2.038 6.163 8.058 405 2HA GLY 52 HA1 GLY 52 -3.733 6.187 7.622 406 H PHE 53 HN PHE 53 -2.415 5.690 4.771 407 HA PHE 53 HA PHE 53 -1.813 2.801 4.985 408 1HB PHE 53 HB2 PHE 53 -4.416 3.706 4.584 409 2HB PHE 53 HB1 PHE 53 -3.854 3.357 2.961 410 HD1 PHE 53 HD1 PHE 53 -3.897 1.817 6.410 411 HD2 PHE 53 HD2 PHE 53 -4.018 1.179 2.180 412 HE1 PHE 53 HE1 PHE 53 -4.355 -0.580 6.763 413 HE2 PHE 53 HE2 PHE 53 -4.496 -1.191 2.521 414 HZ PHE 53 HZ PHE 53 -4.638 -2.104 4.817 415 H VAL 54 HN VAL 54 -0.382 2.249 3.279 416 HA VAL 54 HA VAL 54 -0.189 4.217 1.020 417 HB VAL 54 HB VAL 54 2.101 3.048 2.615 418 1HG1 VAL 54 HG12 VAL 54 1.931 4.082 -0.160 419 2HG1 VAL 54 HG11 VAL 54 3.227 4.769 0.818 420 3HG1 VAL 54 HG13 VAL 54 3.136 3.024 0.573 421 1HG2 VAL 54 HG21 VAL 54 0.991 5.076 3.537 422 2HG2 VAL 54 HG23 VAL 54 2.631 5.424 2.992 423 3HG2 VAL 54 HG22 VAL 54 1.253 5.902 2.001 424 H ILE 55 HN ILE 55 -0.635 3.202 -0.806 425 HA ILE 55 HA ILE 55 -0.084 0.290 -1.047 426 HB ILE 55 HB ILE 55 -1.828 2.244 -2.542 427 1HG1 ILE 55 HG12 ILE 55 -2.456 -0.549 -1.576 428 2HG1 ILE 55 HG11 ILE 55 -2.561 0.845 -0.500 429 1HG2 ILE 55 HG21 ILE 55 -0.679 -0.364 -3.507 430 2HG2 ILE 55 HG23 ILE 55 -2.280 0.149 -4.037 431 3HG2 ILE 55 HG22 ILE 55 -0.872 1.153 -4.385 432 1HD1 ILE 55 HD13 ILE 55 -4.121 1.935 -2.098 433 2HD1 ILE 55 HD12 ILE 55 -4.049 0.500 -3.122 434 3HD1 ILE 55 HD11 ILE 55 -4.755 0.398 -1.508 435 H SER 56 HN SER 56 1.867 -0.200 -1.934 436 HA SER 56 HA SER 56 2.795 1.387 -4.275 437 1HB SER 56 HB2 SER 56 4.664 2.151 -3.258 438 2HB SER 56 HB1 SER 56 3.914 1.685 -1.734 439 HG SER 56 HG SER 56 6.020 0.592 -3.035 440 H ASP 57 HN ASP 57 3.611 0.065 -5.868 441 HA ASP 57 HA ASP 57 3.345 -2.788 -5.556 442 1HB ASP 57 HB2 ASP 57 4.266 -0.945 -7.708 443 2HB ASP 57 HB1 ASP 57 4.797 -2.621 -7.807 444 CH2 TRP 58 CH2 TRP 58 9.545 -7.365 -1.326 445 H TRP 58 HN TRP 58 5.428 -4.088 -6.493 446 HA TRP 58 HA TRP 58 7.393 -3.994 -4.386 447 1HB TRP 58 HB2 TRP 58 6.647 -5.985 -5.873 448 2HB TRP 58 HB1 TRP 58 7.772 -5.346 -7.065 449 HD1 TRP 58 HD1 TRP 58 10.079 -6.366 -6.918 450 HE1 TRP 58 HE1 TRP 58 11.518 -7.452 -5.076 451 HE3 TRP 58 HE3 TRP 58 6.962 -5.797 -2.910 452 HZ2 TRP 58 HZ2 TRP 58 11.365 -8.017 -2.275 453 HZ3 TRP 58 HZ3 TRP 58 7.637 -6.615 -0.668 454 HH2 TRP 58 HH2 TRP 58 9.835 -7.718 -0.346 455 H ASN 59 HN ASN 59 9.666 -4.473 -6.373 456 HA ASN 59 HA ASN 59 10.418 -1.619 -6.598 457 1HB ASN 59 HB2 ASN 59 12.050 -3.172 -5.615 458 2HB ASN 59 HB1 ASN 59 12.024 -4.146 -7.086 459 1HD2 ASN 59 HD22 ASN 59 13.991 -1.828 -8.971 460 2HD2 ASN 59 HD21 ASN 59 12.878 -3.104 -9.096 461 H MET 60 HN MET 60 11.532 -0.929 -8.665 462 HA MET 60 HA MET 60 11.290 -2.330 -11.101 463 1HB MET 60 HB2 MET 60 8.772 -1.303 -10.194 464 2HB MET 60 HB1 MET 60 9.262 -0.408 -11.634 465 1HG MET 60 HG2 MET 60 9.562 -2.464 -12.882 466 2HG MET 60 HG1 MET 60 9.258 -3.433 -11.441 467 1HE MET 60 HE1 MET 60 8.041 -3.699 -14.180 468 2HE MET 60 HE3 MET 60 6.354 -3.210 -14.388 469 3HE MET 60 HE2 MET 60 7.650 -2.037 -14.614 470 HA PRO 61 HA PRO 61 11.996 2.334 -12.073 471 1HB PRO 61 HB2 PRO 61 12.369 3.781 -9.612 472 2HB PRO 61 HB1 PRO 61 11.127 4.030 -10.842 473 1HG PRO 61 HG2 PRO 61 10.768 2.934 -8.220 474 2HG PRO 61 HG1 PRO 61 9.550 3.106 -9.491 475 1HD PRO 61 HD2 PRO 61 10.858 0.693 -8.556 476 2HD PRO 61 HD1 PRO 61 9.526 0.850 -9.713 477 H ASN 62 HN ASN 62 13.459 2.386 -8.828 478 HA ASN 62 HA ASN 62 15.907 1.070 -9.547 479 1HB ASN 62 HB2 ASN 62 17.389 3.052 -9.630 480 2HB ASN 62 HB1 ASN 62 16.224 3.080 -10.955 481 1HD2 ASN 62 HD21 ASN 62 14.045 4.288 -10.255 482 2HD2 ASN 62 HD22 ASN 62 14.274 5.745 -9.414 483 H MET 63 HN MET 63 16.165 0.205 -7.522 484 HA MET 63 HA MET 63 16.279 0.094 -5.172 485 1HB MET 63 HB2 MET 63 18.323 1.443 -5.756 486 2HB MET 63 HB1 MET 63 17.371 2.905 -5.498 487 1HG MET 63 HG2 MET 63 17.821 2.772 -3.299 488 2HG MET 63 HG1 MET 63 16.939 1.246 -3.238 489 1HE MET 63 HE2 MET 63 20.216 3.083 -3.743 490 2HE MET 63 HE1 MET 63 19.953 2.734 -2.037 491 3HE MET 63 HE3 MET 63 21.338 2.033 -2.884 492 H ASP 64 HN ASP 64 13.964 0.122 -4.858 493 HA ASP 64 HA ASP 64 13.042 2.404 -3.305 494 1HB ASP 64 HB2 ASP 64 12.035 1.923 -6.100 495 2HB ASP 64 HB1 ASP 64 10.958 2.607 -4.882 496 H GLY 65 HN GLY 65 10.327 1.902 -3.293 497 1HA GLY 65 HA2 GLY 65 8.751 0.449 -2.337 498 2HA GLY 65 HA1 GLY 65 9.523 -0.808 -3.251 499 H LEU 66 HN LEU 66 11.561 -1.765 -2.247 500 HA LEU 66 HA LEU 66 11.095 -2.562 0.442 501 1HB LEU 66 HB2 LEU 66 12.902 -3.252 -1.581 502 2HB LEU 66 HB1 LEU 66 13.924 -2.635 -0.286 503 HG LEU 66 HG LEU 66 13.614 -5.023 0.035 504 1HD1 LEU 66 HD12 LEU 66 13.158 -3.118 1.953 505 2HD1 LEU 66 HD11 LEU 66 11.711 -4.115 2.094 506 3HD1 LEU 66 HD13 LEU 66 13.306 -4.844 2.279 507 1HD2 LEU 66 HD21 LEU 66 10.993 -4.457 -0.938 508 2HD2 LEU 66 HD23 LEU 66 11.699 -6.032 -0.579 509 3HD2 LEU 66 HD22 LEU 66 10.824 -5.152 0.673 510 H GLU 67 HN GLU 67 13.941 -0.625 -0.576 511 HA GLU 67 HA GLU 67 14.555 0.390 1.983 512 1HB GLU 67 HB2 GLU 67 15.214 1.067 -0.797 513 2HB GLU 67 HB1 GLU 67 15.221 2.471 0.272 514 1HG GLU 67 HG2 GLU 67 16.833 1.482 1.726 515 2HG GLU 67 HG1 GLU 67 16.624 -0.109 0.992 516 H LEU 68 HN LEU 68 12.318 1.583 -0.457 517 HA LEU 68 HA LEU 68 11.560 4.063 0.653 518 1HB LEU 68 HB2 LEU 68 10.622 3.708 -1.417 519 2HB LEU 68 HB1 LEU 68 10.416 2.002 -1.126 520 HG LEU 68 HG LEU 68 8.417 2.510 0.297 521 1HD1 LEU 68 HD11 LEU 68 8.907 5.308 -0.757 522 2HD1 LEU 68 HD13 LEU 68 7.498 4.790 0.168 523 3HD1 LEU 68 HD12 LEU 68 9.091 4.806 0.924 524 1HD2 LEU 68 HD23 LEU 68 8.719 2.754 -2.557 525 2HD2 LEU 68 HD22 LEU 68 7.347 2.125 -1.641 526 3HD2 LEU 68 HD21 LEU 68 7.445 3.842 -2.008 527 H LEU 69 HN LEU 69 10.286 0.820 1.230 528 HA LEU 69 HA LEU 69 8.347 1.542 3.213 529 1HB LEU 69 HB2 LEU 69 8.281 -0.578 1.986 530 2HB LEU 69 HB1 LEU 69 9.835 -1.032 2.667 531 HG LEU 69 HG LEU 69 8.756 -0.942 4.970 532 1HD1 LEU 69 HD11 LEU 69 6.565 0.064 3.373 533 2HD1 LEU 69 HD13 LEU 69 6.085 -1.404 4.213 534 3HD1 LEU 69 HD12 LEU 69 6.708 -0.031 5.126 535 1HD2 LEU 69 HD22 LEU 69 8.876 -2.997 3.196 536 2HD2 LEU 69 HD21 LEU 69 8.198 -3.149 4.812 537 3HD2 LEU 69 HD23 LEU 69 7.134 -2.882 3.436 538 H LYS 70 HN LYS 70 11.468 -0.147 3.658 539 HA LYS 70 HA LYS 70 11.711 -0.115 6.398 540 1HB LYS 70 HB2 LYS 70 13.416 -0.882 4.602 541 2HB LYS 70 HB1 LYS 70 14.046 0.763 4.703 542 1HG LYS 70 HG2 LYS 70 14.033 0.321 7.289 543 2HG LYS 70 HG1 LYS 70 14.004 -1.377 6.813 544 1HD LYS 70 HD2 LYS 70 15.966 -0.614 5.198 545 2HD LYS 70 HD1 LYS 70 16.146 0.672 6.393 546 1HE LYS 70 HE2 LYS 70 16.159 -2.305 6.976 547 2HE LYS 70 HE1 LYS 70 17.570 -1.245 6.981 548 1HZ LYS 70 HZ2 LYS 70 16.435 0.082 8.718 549 2HZ LYS 70 HZ1 LYS 70 15.219 -1.103 8.787 550 3HZ LYS 70 HZ3 LYS 70 16.813 -1.500 9.211 551 H THR 71 HN THR 71 12.507 2.639 4.257 552 HA THR 71 HA THR 71 13.420 4.433 6.228 553 HB THR 71 HB THR 71 11.959 6.055 4.542 554 HG1 THR 71 HG1 THR 71 12.958 4.198 2.771 555 1HG2 THR 71 HG21 THR 71 14.704 4.834 4.169 556 2HG2 THR 71 HG23 THR 71 14.109 6.224 3.263 557 3HG2 THR 71 HG22 THR 71 14.319 6.335 5.011 558 H ILE 72 HN ILE 72 10.079 3.761 5.183 559 HA ILE 72 HA ILE 72 8.760 5.663 6.821 560 HB ILE 72 HB ILE 72 7.819 2.877 6.083 561 1HG1 ILE 72 HG12 ILE 72 7.234 5.485 4.652 562 2HG1 ILE 72 HG11 ILE 72 8.582 4.454 4.194 563 1HG2 ILE 72 HG21 ILE 72 6.418 5.364 7.075 564 2HG2 ILE 72 HG23 ILE 72 5.553 4.089 6.217 565 3HG2 ILE 72 HG22 ILE 72 6.354 3.736 7.749 566 1HD1 ILE 72 HD13 ILE 72 6.540 2.625 4.248 567 2HD1 ILE 72 HD12 ILE 72 5.684 4.077 3.742 568 3HD1 ILE 72 HD11 ILE 72 7.054 3.491 2.803 569 NH1 ARG 73 NH1 ARG 73 10.130 -2.693 12.604 570 NH2 ARG 73 NH2 ARG 73 10.505 -1.541 14.512 571 H ARG 73 HN ARG 73 9.971 2.415 7.544 572 HA ARG 73 HA ARG 73 8.877 2.442 10.258 573 1HB ARG 73 HB2 ARG 73 9.767 0.462 8.545 574 2HB ARG 73 HB1 ARG 73 11.079 0.571 9.714 575 1HG ARG 73 HG2 ARG 73 8.149 0.249 10.442 576 2HG ARG 73 HG1 ARG 73 9.323 -1.064 10.396 577 1HD ARG 73 HD2 ARG 73 10.724 0.363 12.022 578 2HD ARG 73 HD1 ARG 73 9.255 1.310 12.261 579 HE ARG 73 HE ARG 73 8.205 -0.653 13.239 580 1HH1 ARG 73 HH11 ARG 73 9.683 -2.770 11.713 581 2HH1 ARG 73 HH12 ARG 73 10.734 -3.422 12.925 582 1HH2 ARG 73 HH21 ARG 73 10.347 -0.736 15.084 583 2HH2 ARG 73 HH22 ARG 73 11.109 -2.271 14.834 584 H ALA 74 HN ALA 74 11.395 4.061 8.835 585 HA ALA 74 HA ALA 74 13.242 3.827 11.138 586 1HB ALA 74 HB3 ALA 74 13.818 4.077 8.544 587 2HB ALA 74 HB2 ALA 74 13.683 5.792 8.930 588 3HB ALA 74 HB1 ALA 74 14.852 4.786 9.785 589 H ASP 75 HN ASP 75 10.877 6.027 9.779 590 HA ASP 75 HA ASP 75 11.565 8.450 11.006 591 1HB ASP 75 HB2 ASP 75 9.404 7.565 9.586 592 2HB ASP 75 HB1 ASP 75 8.697 7.760 11.191 593 H GLY 76 HN GLY 76 9.233 6.109 12.393 594 1HA GLY 76 HA2 GLY 76 9.496 5.285 14.700 595 2HA GLY 76 HA1 GLY 76 10.282 6.810 15.106 596 H ALA 77 HN ALA 77 8.213 8.274 13.440 597 HA ALA 77 HA ALA 77 6.481 9.136 15.446 598 1HB ALA 77 HB2 ALA 77 6.699 10.202 13.201 599 2HB ALA 77 HB1 ALA 77 5.767 8.874 12.509 600 3HB ALA 77 HB3 ALA 77 5.016 9.966 13.672 601 H MET 78 HN MET 78 5.154 7.141 12.803 602 HA MET 78 HA MET 78 3.264 5.952 14.738 603 1HB MET 78 HB2 MET 78 3.007 6.723 12.102 604 2HB MET 78 HB1 MET 78 3.186 4.973 11.967 605 1HG MET 78 HG2 MET 78 1.425 4.817 13.833 606 2HG MET 78 HG1 MET 78 1.102 6.521 13.510 607 1HE MET 78 HE3 MET 78 0.277 7.517 11.508 608 2HE MET 78 HE2 MET 78 -0.989 6.717 10.579 609 3HE MET 78 HE1 MET 78 -1.127 6.823 12.332 610 H SER 79 HN SER 79 6.034 5.060 12.771 611 HA SER 79 HA SER 79 7.216 3.034 12.600 612 1HB SER 79 HB2 SER 79 7.195 3.837 15.186 613 2HB SER 79 HB1 SER 79 6.418 2.265 15.356 614 HG SER 79 HG SER 79 9.006 2.864 14.897 615 H ALA 80 HN ALA 80 4.057 3.055 12.411 616 HA ALA 80 HA ALA 80 3.896 0.123 12.076 617 1HB ALA 80 HB1 ALA 80 2.876 1.362 14.389 618 2HB ALA 80 HB3 ALA 80 1.473 1.048 13.366 619 3HB ALA 80 HB2 ALA 80 2.541 -0.277 13.830 620 H LEU 81 HN LEU 81 3.512 3.011 10.715 621 HA LEU 81 HA LEU 81 0.955 3.289 9.701 622 1HB LEU 81 HB2 LEU 81 3.441 4.339 9.091 623 2HB LEU 81 HB1 LEU 81 2.969 3.544 7.590 624 HG LEU 81 HG LEU 81 1.245 5.519 9.128 625 1HD1 LEU 81 HD11 LEU 81 3.380 6.348 7.882 626 2HD1 LEU 81 HD13 LEU 81 2.461 5.993 6.419 627 3HD1 LEU 81 HD12 LEU 81 1.848 7.167 7.583 628 1HD2 LEU 81 HD22 LEU 81 0.718 3.628 6.974 629 2HD2 LEU 81 HD21 LEU 81 -0.403 4.614 7.896 630 3HD2 LEU 81 HD23 LEU 81 0.383 5.284 6.476 631 HA PRO 82 HA PRO 82 0.658 -0.884 7.854 632 1HB PRO 82 HB2 PRO 82 -1.906 -0.165 6.761 633 2HB PRO 82 HB1 PRO 82 -1.558 -1.303 8.052 634 1HG PRO 82 HG2 PRO 82 -2.741 1.284 8.313 635 2HG PRO 82 HG1 PRO 82 -2.278 0.191 9.617 636 1HD PRO 82 HD2 PRO 82 -1.022 2.650 8.823 637 2HD PRO 82 HD1 PRO 82 -0.589 1.598 10.180 638 H VAL 83 HN VAL 83 1.568 -1.376 5.964 639 HA VAL 83 HA VAL 83 1.149 0.437 3.615 640 HB VAL 83 HB VAL 83 3.490 -1.259 4.492 641 1HG1 VAL 83 HG13 VAL 83 2.627 -0.551 1.663 642 2HG1 VAL 83 HG12 VAL 83 4.330 -0.752 2.062 643 3HG1 VAL 83 HG11 VAL 83 3.219 -2.100 2.270 644 1HG2 VAL 83 HG23 VAL 83 2.981 1.415 4.613 645 2HG2 VAL 83 HG22 VAL 83 4.599 0.750 4.451 646 3HG2 VAL 83 HG21 VAL 83 3.737 1.316 3.024 647 H LEU 84 HN LEU 84 -0.053 -0.447 2.037 648 HA LEU 84 HA LEU 84 -0.373 -3.374 2.084 649 1HB LEU 84 HB2 LEU 84 -2.417 -1.990 2.142 650 2HB LEU 84 HB1 LEU 84 -1.971 -1.315 0.578 651 HG LEU 84 HG LEU 84 -2.011 -3.599 -0.398 652 1HD1 LEU 84 HD11 LEU 84 -2.507 -4.296 2.460 653 2HD1 LEU 84 HD13 LEU 84 -3.402 -5.213 1.248 654 3HD1 LEU 84 HD12 LEU 84 -1.640 -5.197 1.217 655 1HD2 LEU 84 HD21 LEU 84 -4.175 -1.992 0.354 656 2HD2 LEU 84 HD23 LEU 84 -4.176 -3.261 -0.868 657 3HD2 LEU 84 HD22 LEU 84 -4.654 -3.629 0.792 658 H MET 85 HN MET 85 1.807 -3.585 1.159 659 HA MET 85 HA MET 85 2.497 -2.535 -1.387 660 1HB MET 85 HB2 MET 85 3.695 -4.248 0.478 661 2HB MET 85 HB1 MET 85 3.492 -5.252 -0.958 662 1HG MET 85 HG2 MET 85 5.646 -4.121 -1.079 663 2HG MET 85 HG1 MET 85 4.578 -3.459 -2.316 664 1HE MET 85 HE2 MET 85 6.908 -2.202 -1.898 665 2HE MET 85 HE1 MET 85 6.900 -0.616 -1.130 666 3HE MET 85 HE3 MET 85 7.322 -2.054 -0.192 667 H VAL 86 HN VAL 86 2.419 -3.626 -3.469 668 HA VAL 86 HA VAL 86 0.322 -5.746 -3.671 669 HB VAL 86 HB VAL 86 0.557 -3.333 -5.493 670 1HG1 VAL 86 HG13 VAL 86 -1.360 -5.652 -5.266 671 2HG1 VAL 86 HG12 VAL 86 -1.796 -4.157 -6.096 672 3HG1 VAL 86 HG11 VAL 86 -0.438 -5.123 -6.675 673 1HG2 VAL 86 HG23 VAL 86 -0.182 -2.717 -3.185 674 2HG2 VAL 86 HG22 VAL 86 -1.454 -2.486 -4.383 675 3HG2 VAL 86 HG21 VAL 86 -1.489 -3.891 -3.319 676 H THR 87 HN THR 87 0.938 -7.413 -5.030 677 HA THR 87 HA THR 87 2.947 -6.846 -7.144 678 HB THR 87 HB THR 87 4.369 -7.361 -5.237 679 HG1 THR 87 HG1 THR 87 4.662 -9.795 -6.272 680 1HG2 THR 87 HG23 THR 87 2.718 -9.886 -5.011 681 2HG2 THR 87 HG22 THR 87 4.144 -9.506 -4.046 682 3HG2 THR 87 HG21 THR 87 2.683 -8.532 -3.883 683 H ALA 88 HN ALA 88 3.497 -9.230 -8.147 684 HA ALA 88 HA ALA 88 0.831 -10.527 -8.583 685 1HB ALA 88 HB2 ALA 88 3.151 -9.991 -10.432 686 2HB ALA 88 HB1 ALA 88 1.974 -11.254 -10.793 687 3HB ALA 88 HB3 ALA 88 1.450 -9.578 -10.650 688 H GLU 89 HN GLU 89 4.347 -11.209 -8.571 689 HA GLU 89 HA GLU 89 3.875 -14.082 -8.367 690 1HB GLU 89 HB2 GLU 89 6.498 -13.718 -7.634 691 2HB GLU 89 HB1 GLU 89 5.940 -13.901 -9.296 692 1HG GLU 89 HG2 GLU 89 5.810 -11.506 -9.588 693 2HG GLU 89 HG1 GLU 89 6.140 -11.233 -7.876 694 H ALA 90 HN ALA 90 5.724 -11.952 -6.157 695 HA ALA 90 HA ALA 90 5.713 -11.856 -3.811 696 1HB ALA 90 HB1 ALA 90 3.107 -12.107 -4.390 697 2HB ALA 90 HB3 ALA 90 3.337 -13.661 -3.596 698 3HB ALA 90 HB2 ALA 90 3.698 -12.166 -2.733 699 H LYS 91 HN LYS 91 7.616 -13.362 -4.442 700 HA LYS 91 HA LYS 91 7.421 -16.190 -4.140 701 1HB LYS 91 HB2 LYS 91 9.916 -14.863 -3.220 702 2HB LYS 91 HB1 LYS 91 9.701 -16.185 -4.367 703 1HG LYS 91 HG2 LYS 91 8.636 -14.393 -5.910 704 2HG LYS 91 HG1 LYS 91 9.410 -13.223 -4.840 705 1HD LYS 91 HD2 LYS 91 11.475 -14.946 -5.273 706 2HD LYS 91 HD1 LYS 91 10.623 -15.066 -6.813 707 1HE LYS 91 HE2 LYS 91 12.099 -13.254 -7.139 708 2HE LYS 91 HE1 LYS 91 10.566 -12.474 -6.747 709 1HZ LYS 91 HZ3 LYS 91 11.304 -12.360 -4.421 710 2HZ LYS 91 HZ2 LYS 91 12.808 -13.008 -4.873 711 3HZ LYS 91 HZ1 LYS 91 12.322 -11.491 -5.463 712 H LYS 92 HN LYS 92 9.524 -16.509 -2.089 713 HA LYS 92 HA LYS 92 7.735 -16.405 0.281 714 1HB LYS 92 HB2 LYS 92 10.205 -17.980 -0.425 715 2HB LYS 92 HB1 LYS 92 9.645 -17.874 1.245 716 1HG LYS 92 HG2 LYS 92 7.800 -19.165 0.851 717 2HG LYS 92 HG1 LYS 92 7.568 -18.515 -0.773 718 1HD LYS 92 HD2 LYS 92 9.359 -19.891 -1.648 719 2HD LYS 92 HD1 LYS 92 9.788 -20.438 -0.027 720 1HE LYS 92 HE2 LYS 92 8.113 -21.970 0.028 721 2HE LYS 92 HE1 LYS 92 6.959 -20.866 -0.722 722 1HZ LYS 92 HZ1 LYS 92 9.123 -22.294 -2.169 723 2HZ LYS 92 HZ3 LYS 92 7.500 -22.785 -2.131 724 3HZ LYS 92 HZ2 LYS 92 7.923 -21.311 -2.861 725 H GLU 93 HN GLU 93 11.256 -16.406 0.408 726 HA GLU 93 HA GLU 93 11.529 -14.651 2.531 727 1HB GLU 93 HB2 GLU 93 13.797 -14.044 1.312 728 2HB GLU 93 HB1 GLU 93 13.531 -15.664 1.955 729 1HG GLU 93 HG2 GLU 93 14.418 -15.577 -0.427 730 2HG GLU 93 HG1 GLU 93 12.945 -16.522 -0.206 731 H ASN 94 HN ASN 94 10.341 -13.842 -0.546 732 HA ASN 94 HA ASN 94 11.274 -11.070 -0.544 733 1HB ASN 94 HB2 ASN 94 10.852 -11.696 -2.721 734 2HB ASN 94 HB1 ASN 94 9.527 -12.758 -2.267 735 1HD2 ASN 94 HD22 ASN 94 8.679 -9.069 -3.545 736 2HD2 ASN 94 HD21 ASN 94 10.203 -9.794 -3.718 737 H ILE 95 HN ILE 95 8.396 -12.821 0.493 738 HA ILE 95 HA ILE 95 6.968 -10.323 1.119 739 HB ILE 95 HB ILE 95 6.223 -13.185 1.802 740 1HG1 ILE 95 HG12 ILE 95 5.248 -11.509 -0.530 741 2HG1 ILE 95 HG11 ILE 95 6.539 -12.701 -0.675 742 1HG2 ILE 95 HG23 ILE 95 5.046 -10.606 2.394 743 2HG2 ILE 95 HG22 ILE 95 3.957 -11.557 1.385 744 3HG2 ILE 95 HG21 ILE 95 4.529 -12.208 2.919 745 1HD1 ILE 95 HD13 ILE 95 4.917 -14.403 0.311 746 2HD1 ILE 95 HD12 ILE 95 3.654 -13.191 0.100 747 3HD1 ILE 95 HD11 ILE 95 4.515 -13.823 -1.304 748 H ILE 96 HN ILE 96 9.301 -12.267 2.621 749 HA ILE 96 HA ILE 96 8.358 -11.762 5.366 750 HB ILE 96 HB ILE 96 11.039 -12.878 4.524 751 1HG1 ILE 96 HG12 ILE 96 9.395 -14.253 3.421 752 2HG1 ILE 96 HG11 ILE 96 9.912 -15.125 4.863 753 1HG2 ILE 96 HG23 ILE 96 10.066 -12.159 6.995 754 2HG2 ILE 96 HG22 ILE 96 9.655 -13.873 6.925 755 3HG2 ILE 96 HG21 ILE 96 11.330 -13.359 6.722 756 1HD1 ILE 96 HD13 ILE 96 7.898 -13.976 6.026 757 2HD1 ILE 96 HD12 ILE 96 7.332 -13.635 4.392 758 3HD1 ILE 96 HD11 ILE 96 7.559 -15.303 4.916 759 H ALA 97 HN ALA 97 11.427 -11.050 3.676 760 HA ALA 97 HA ALA 97 12.516 -9.213 5.441 761 1HB ALA 97 HB3 ALA 97 13.113 -9.982 2.876 762 2HB ALA 97 HB2 ALA 97 12.646 -8.298 2.637 763 3HB ALA 97 HB1 ALA 97 13.955 -8.700 3.748 764 H ALA 98 HN ALA 98 9.964 -8.634 3.071 765 HA ALA 98 HA ALA 98 9.778 -5.797 3.562 766 1HB ALA 98 HB2 ALA 98 8.745 -7.519 1.697 767 2HB ALA 98 HB1 ALA 98 7.329 -7.192 2.691 768 3HB ALA 98 HB3 ALA 98 8.198 -5.859 1.926 769 H ALA 99 HN ALA 99 7.832 -8.579 4.693 770 HA ALA 99 HA ALA 99 5.943 -7.258 6.228 771 1HB ALA 99 HB1 ALA 99 6.285 -9.791 5.862 772 2HB ALA 99 HB3 ALA 99 7.331 -9.717 7.281 773 3HB ALA 99 HB2 ALA 99 5.629 -9.275 7.415 774 H GLN 100 HN GLN 100 9.173 -8.289 7.385 775 HA GLN 100 HA GLN 100 8.876 -7.104 9.979 776 1HB GLN 100 HB2 GLN 100 10.781 -8.682 8.675 777 2HB GLN 100 HB1 GLN 100 11.631 -7.185 9.052 778 1HG GLN 100 HG2 GLN 100 11.897 -8.605 10.963 779 2HG GLN 100 HG1 GLN 100 10.700 -7.389 11.413 780 1HE2 GLN 100 HE22 GLN 100 9.055 -11.003 10.355 781 2HE2 GLN 100 HE21 GLN 100 10.219 -10.289 9.347 782 H ALA 101 HN ALA 101 9.313 -5.633 6.944 783 HA ALA 101 HA ALA 101 10.736 -3.294 8.082 784 1HB ALA 101 HB2 ALA 101 10.155 -4.304 5.343 785 2HB ALA 101 HB1 ALA 101 10.336 -2.561 5.545 786 3HB ALA 101 HB3 ALA 101 11.649 -3.642 6.006 787 H GLY 102 HN GLY 102 7.538 -4.146 6.824 788 1HA GLY 102 HA2 GLY 102 5.949 -2.474 8.231 789 2HA GLY 102 HA1 GLY 102 6.623 -1.382 7.029 790 H ALA 103 HN ALA 103 6.732 -3.916 5.274 791 HA ALA 103 HA ALA 103 4.501 -3.439 3.622 792 1HB ALA 103 HB1 ALA 103 6.746 -5.130 3.605 793 2HB ALA 103 HB3 ALA 103 5.345 -6.174 3.399 794 3HB ALA 103 HB2 ALA 103 5.622 -4.835 2.284 795 H SER 104 HN SER 104 4.143 -4.313 6.630 796 HA SER 104 HA SER 104 2.920 -6.609 7.218 797 1HB SER 104 HB2 SER 104 1.639 -3.903 7.694 798 2HB SER 104 HB1 SER 104 1.164 -5.388 8.514 799 HG SER 104 HG SER 104 2.673 -4.297 9.769 800 H GLY 105 HN GLY 105 1.520 -4.321 4.912 801 1HA GLY 105 HA2 GLY 105 -0.733 -6.230 4.475 802 2HA GLY 105 HA1 GLY 105 -0.742 -4.544 3.987 803 OH TYR 106 OH TYR 106 1.063 -12.800 -2.550 804 H TYR 106 HN TYR 106 -0.568 -7.552 2.770 805 HA TYR 106 HA TYR 106 0.806 -6.594 0.321 806 1HB TYR 106 HB2 TYR 106 2.611 -7.889 0.823 807 2HB TYR 106 HB1 TYR 106 1.734 -8.789 2.059 808 HD1 TYR 106 HD1 TYR 106 1.526 -8.350 -1.707 809 HD2 TYR 106 HD2 TYR 106 1.480 -11.067 1.629 810 HE1 TYR 106 HE1 TYR 106 1.256 -10.266 -3.244 811 HE2 TYR 106 HE2 TYR 106 1.212 -12.969 0.079 812 HH TYR 106 HH TYR 106 1.739 -13.449 -2.343 813 H VAL 107 HN VAL 107 -0.394 -7.058 -1.399 814 HA VAL 107 HA VAL 107 -2.297 -9.352 -1.277 815 HB VAL 107 HB VAL 107 -3.493 -7.182 -0.838 816 1HG1 VAL 107 HG13 VAL 107 -1.751 -6.040 -2.477 817 2HG1 VAL 107 HG12 VAL 107 -2.960 -6.443 -3.696 818 3HG1 VAL 107 HG11 VAL 107 -3.390 -5.405 -2.336 819 1HG2 VAL 107 HG21 VAL 107 -4.054 -8.531 -3.504 820 2HG2 VAL 107 HG23 VAL 107 -4.662 -9.051 -1.934 821 3HG2 VAL 107 HG22 VAL 107 -5.193 -7.519 -2.624 822 H VAL 108 HN VAL 108 -2.082 -10.598 -3.101 823 HA VAL 108 HA VAL 108 -0.140 -9.951 -5.076 824 HB VAL 108 HB VAL 108 -2.120 -11.655 -6.252 825 1HG1 VAL 108 HG13 VAL 108 0.379 -11.763 -6.466 826 2HG1 VAL 108 HG12 VAL 108 0.449 -12.395 -4.820 827 3HG1 VAL 108 HG11 VAL 108 -0.360 -13.319 -6.086 828 1HG2 VAL 108 HG22 VAL 108 -3.080 -11.838 -3.981 829 2HG2 VAL 108 HG21 VAL 108 -2.347 -13.361 -4.484 830 3HG2 VAL 108 HG23 VAL 108 -1.500 -12.306 -3.353 831 H LYS 109 HN LYS 109 -1.486 -10.216 -7.574 832 HA LYS 109 HA LYS 109 -3.740 -8.396 -7.686 833 1HB LYS 109 HB2 LYS 109 -2.621 -6.515 -8.810 834 2HB LYS 109 HB1 LYS 109 -1.951 -6.784 -7.210 835 1HG LYS 109 HG2 LYS 109 0.088 -6.945 -8.149 836 2HG LYS 109 HG1 LYS 109 -0.445 -8.411 -8.968 837 1HD LYS 109 HD2 LYS 109 -1.324 -7.066 -10.833 838 2HD LYS 109 HD1 LYS 109 -0.818 -5.589 -10.012 839 1HE LYS 109 HE2 LYS 109 1.201 -5.796 -10.984 840 2HE LYS 109 HE1 LYS 109 1.451 -7.276 -10.058 841 1HZ LYS 109 HZ3 LYS 109 0.190 -8.446 -11.844 842 2HZ LYS 109 HZ2 LYS 109 0.252 -7.015 -12.757 843 3HZ LYS 109 HZ1 LYS 109 1.688 -7.819 -12.334 844 HA PRO 110 HA PRO 110 -4.726 -7.087 -9.430 845 1HB PRO 110 HB2 PRO 110 -6.891 -8.147 -10.974 846 2HB PRO 110 HB1 PRO 110 -5.898 -6.730 -11.341 847 1HG PRO 110 HG2 PRO 110 -5.900 -9.215 -12.736 848 2HG PRO 110 HG1 PRO 110 -4.788 -7.862 -12.979 849 1HD PRO 110 HD2 PRO 110 -4.295 -10.430 -11.649 850 2HD PRO 110 HD1 PRO 110 -3.126 -9.201 -12.175 851 H PHE 111 HN PHE 111 -6.617 -7.053 -8.038 852 HA PHE 111 HA PHE 111 -7.505 -9.752 -7.076 853 1HB PHE 111 HB2 PHE 111 -7.977 -8.417 -4.890 854 2HB PHE 111 HB1 PHE 111 -6.323 -8.895 -5.236 855 HD1 PHE 111 HD1 PHE 111 -8.750 -6.069 -5.678 856 HD2 PHE 111 HD2 PHE 111 -4.649 -7.266 -5.365 857 HE1 PHE 111 HE1 PHE 111 -8.045 -3.700 -5.734 858 HE2 PHE 111 HE2 PHE 111 -3.936 -4.906 -5.411 859 HZ PHE 111 HZ PHE 111 -5.639 -3.109 -5.596 860 H THR 112 HN THR 112 -9.661 -9.854 -6.319 861 HA THR 112 HA THR 112 -11.480 -7.969 -7.703 862 HB THR 112 HB THR 112 -12.504 -10.201 -5.995 863 HG1 THR 112 HG1 THR 112 -12.009 -11.154 -8.413 864 1HG2 THR 112 HG21 THR 112 -13.818 -8.526 -7.494 865 2HG2 THR 112 HG23 THR 112 -13.248 -9.526 -8.831 866 3HG2 THR 112 HG22 THR 112 -14.249 -10.235 -7.563 867 H ALA 113 HN ALA 113 -13.063 -6.754 -6.435 868 HA ALA 113 HA ALA 113 -12.084 -5.561 -4.106 869 1HB ALA 113 HB3 ALA 113 -14.388 -5.281 -5.607 870 2HB ALA 113 HB2 ALA 113 -15.013 -5.860 -4.063 871 3HB ALA 113 HB1 ALA 113 -14.036 -4.392 -4.125 872 H ALA 114 HN ALA 114 -14.051 -8.504 -4.369 873 HA ALA 114 HA ALA 114 -14.351 -8.806 -1.513 874 1HB ALA 114 HB1 ALA 114 -15.474 -10.069 -3.638 875 2HB ALA 114 HB3 ALA 114 -14.240 -11.251 -3.205 876 3HB ALA 114 HB2 ALA 114 -15.448 -10.764 -2.018 877 H THR 115 HN THR 115 -11.910 -9.769 -3.873 878 HA THR 115 HA THR 115 -10.416 -11.436 -2.049 879 HB THR 115 HB THR 115 -9.636 -9.972 -4.568 880 HG1 THR 115 HG1 THR 115 -9.751 -12.741 -4.109 881 1HG2 THR 115 HG22 THR 115 -8.013 -11.736 -2.740 882 2HG2 THR 115 HG21 THR 115 -7.594 -11.510 -4.437 883 3HG2 THR 115 HG23 THR 115 -7.603 -10.130 -3.341 884 H LEU 116 HN LEU 116 -9.555 -8.119 -3.315 885 HA LEU 116 HA LEU 116 -7.608 -7.572 -1.397 886 1HB LEU 116 HB2 LEU 116 -9.017 -6.078 -3.301 887 2HB LEU 116 HB1 LEU 116 -9.377 -5.271 -1.779 888 HG LEU 116 HG LEU 116 -6.665 -5.750 -3.036 889 1HD1 LEU 116 HD12 LEU 116 -8.264 -3.686 -3.402 890 2HD1 LEU 116 HD11 LEU 116 -7.664 -3.197 -1.825 891 3HD1 LEU 116 HD13 LEU 116 -6.541 -3.430 -3.164 892 1HD2 LEU 116 HD22 LEU 116 -7.380 -5.476 -0.188 893 2HD2 LEU 116 HD21 LEU 116 -5.888 -6.063 -0.920 894 3HD2 LEU 116 HD23 LEU 116 -6.180 -4.338 -0.755 895 H GLU 117 HN GLU 117 -11.157 -7.128 -1.071 896 HA GLU 117 HA GLU 117 -11.220 -5.974 1.472 897 1HB GLU 117 HB2 GLU 117 -13.239 -6.331 0.113 898 2HB GLU 117 HB1 GLU 117 -13.103 -8.072 0.363 899 1HG GLU 117 HG2 GLU 117 -13.462 -7.830 2.740 900 2HG GLU 117 HG1 GLU 117 -13.370 -6.072 2.624 901 H GLU 118 HN GLU 118 -11.384 -9.463 0.762 902 HA GLU 118 HA GLU 118 -11.354 -10.487 3.339 903 1HB GLU 118 HB2 GLU 118 -11.158 -11.617 0.907 904 2HB GLU 118 HB1 GLU 118 -9.480 -11.784 1.423 905 1HG GLU 118 HG2 GLU 118 -10.281 -12.836 3.543 906 2HG GLU 118 HG1 GLU 118 -11.930 -12.765 2.916 907 H LYS 119 HN LYS 119 -8.561 -9.274 1.497 908 HA LYS 119 HA LYS 119 -6.611 -10.004 3.493 909 1HB LYS 119 HB2 LYS 119 -6.477 -7.841 1.371 910 2HB LYS 119 HB1 LYS 119 -5.103 -8.505 2.257 911 1HG LYS 119 HG2 LYS 119 -6.725 -10.609 1.061 912 2HG LYS 119 HG1 LYS 119 -6.130 -9.476 -0.152 913 1HD LYS 119 HD2 LYS 119 -3.836 -9.752 0.697 914 2HD LYS 119 HD1 LYS 119 -4.421 -10.870 1.930 915 1HE LYS 119 HE2 LYS 119 -5.081 -11.426 -0.939 916 2HE LYS 119 HE1 LYS 119 -3.455 -11.787 -0.359 917 1HZ LYS 119 HZ1 LYS 119 -4.572 -13.001 1.516 918 2HZ LYS 119 HZ3 LYS 119 -6.024 -12.855 0.653 919 3HZ LYS 119 HZ2 LYS 119 -4.725 -13.719 -0.017 920 H LEU 120 HN LEU 120 -7.858 -6.753 2.622 921 HA LEU 120 HA LEU 120 -6.757 -5.270 4.685 922 1HB LEU 120 HB2 LEU 120 -8.516 -4.660 2.769 923 2HB LEU 120 HB1 LEU 120 -9.653 -4.795 4.110 924 HG LEU 120 HG LEU 120 -7.831 -3.305 5.351 925 1HD1 LEU 120 HD13 LEU 120 -7.477 -2.589 2.425 926 2HD1 LEU 120 HD12 LEU 120 -6.826 -1.679 3.788 927 3HD1 LEU 120 HD11 LEU 120 -6.248 -3.313 3.463 928 1HD2 LEU 120 HD22 LEU 120 -9.840 -2.275 3.327 929 2HD2 LEU 120 HD21 LEU 120 -10.155 -2.640 5.023 930 3HD2 LEU 120 HD23 LEU 120 -9.102 -1.293 4.591 931 H ASN 121 HN ASN 121 -10.001 -6.796 4.891 932 HA ASN 121 HA ASN 121 -10.466 -6.290 7.611 933 1HB ASN 121 HB2 ASN 121 -11.614 -7.932 5.578 934 2HB ASN 121 HB1 ASN 121 -11.433 -8.917 7.030 935 1HD2 ASN 121 HD22 ASN 121 -13.686 -6.889 8.978 936 2HD2 ASN 121 HD21 ASN 121 -12.313 -7.880 9.111 937 H LYS 122 HN LYS 122 -8.567 -8.885 6.134 938 HA LYS 122 HA LYS 122 -8.159 -10.458 8.468 939 1HB LYS 122 HB2 LYS 122 -7.179 -10.412 5.805 940 2HB LYS 122 HB1 LYS 122 -5.769 -10.413 6.865 941 1HG LYS 122 HG2 LYS 122 -6.626 -12.370 8.057 942 2HG LYS 122 HG1 LYS 122 -8.092 -12.350 7.078 943 1HD LYS 122 HD2 LYS 122 -7.062 -13.579 5.503 944 2HD LYS 122 HD1 LYS 122 -5.857 -12.306 5.301 945 1HE LYS 122 HE2 LYS 122 -4.522 -13.238 7.131 946 2HE LYS 122 HE1 LYS 122 -5.744 -14.478 7.416 947 1HZ LYS 122 HZ1 LYS 122 -5.287 -14.816 4.819 948 2HZ LYS 122 HZ3 LYS 122 -3.755 -14.283 5.311 949 3HZ LYS 122 HZ2 LYS 122 -4.447 -15.657 6.033 950 H ILE 123 HN ILE 123 -6.662 -7.467 7.401 951 HA ILE 123 HA ILE 123 -4.599 -7.630 9.507 952 HB ILE 123 HB ILE 123 -5.245 -5.601 7.368 953 1HG1 ILE 123 HG12 ILE 123 -2.783 -7.301 7.885 954 2HG1 ILE 123 HG11 ILE 123 -4.082 -7.763 6.787 955 1HG2 ILE 123 HG21 ILE 123 -3.316 -5.457 9.690 956 2HG2 ILE 123 HG23 ILE 123 -3.013 -4.566 8.200 957 3HG2 ILE 123 HG22 ILE 123 -4.463 -4.235 9.142 958 1HD1 ILE 123 HD11 ILE 123 -3.494 -5.198 5.950 959 2HD1 ILE 123 HD13 ILE 123 -1.913 -5.823 6.411 960 3HD1 ILE 123 HD12 ILE 123 -2.883 -6.673 5.207 961 H PHE 124 HN PHE 124 -7.250 -5.366 8.659 962 HA PHE 124 HA PHE 124 -7.039 -3.785 10.983 963 1HB PHE 124 HB2 PHE 124 -9.296 -4.394 9.101 964 2HB PHE 124 HB1 PHE 124 -9.558 -3.380 10.521 965 HD1 PHE 124 HD2 PHE 124 -7.326 -3.800 7.567 966 HD2 PHE 124 HD1 PHE 124 -8.898 -1.108 10.513 967 HE1 PHE 124 HE2 PHE 124 -6.256 -1.897 6.404 968 HE2 PHE 124 HE1 PHE 124 -7.812 0.800 9.351 969 HZ PHE 124 HZ PHE 124 -6.498 0.402 7.287 970 H GLU 125 HN GLU 125 -7.905 -7.041 10.762 971 HA GLU 125 HA GLU 125 -9.775 -7.086 12.993 972 1HB GLU 125 HB2 GLU 125 -9.455 -8.915 11.185 973 2HB GLU 125 HB1 GLU 125 -8.030 -9.398 12.105 974 1HG GLU 125 HG2 GLU 125 -10.804 -9.155 13.307 975 2HG GLU 125 HG1 GLU 125 -10.119 -10.669 12.715 976 H LYS 126 HN LYS 126 -6.319 -7.210 12.524 977 HA LYS 126 HA LYS 126 -5.838 -7.723 15.400 978 1HB LYS 126 HB2 LYS 126 -4.381 -8.793 13.660 979 2HB LYS 126 HB1 LYS 126 -3.852 -7.185 13.165 980 1HG LYS 126 HG2 LYS 126 -2.332 -7.150 14.821 981 2HG LYS 126 HG1 LYS 126 -3.602 -7.402 16.018 982 1HD LYS 126 HD2 LYS 126 -3.481 -9.821 15.687 983 2HD LYS 126 HD1 LYS 126 -2.281 -9.609 14.413 984 1HE LYS 126 HE2 LYS 126 -1.843 -8.575 17.218 985 2HE LYS 126 HE1 LYS 126 -1.372 -10.204 16.733 986 1HZ LYS 126 HZ1 LYS 126 -0.151 -9.091 14.845 987 2HZ LYS 126 HZ3 LYS 126 -0.388 -7.626 15.666 988 3HZ LYS 126 HZ2 LYS 126 0.508 -8.872 16.396 989 H LEU 127 HN LEU 127 -5.880 -5.159 13.025 990 HA LEU 127 HA LEU 127 -4.543 -3.211 14.750 991 1HB LEU 127 HB2 LEU 127 -5.030 -3.312 12.039 992 2HB LEU 127 HB1 LEU 127 -6.273 -2.181 12.579 993 HG LEU 127 HG LEU 127 -4.457 -0.943 13.843 994 1HD1 LEU 127 HD11 LEU 127 -2.943 -3.220 13.049 995 2HD1 LEU 127 HD13 LEU 127 -2.276 -1.829 12.194 996 3HD1 LEU 127 HD12 LEU 127 -2.386 -1.814 13.953 997 1HD2 LEU 127 HD22 LEU 127 -4.164 -1.196 10.832 998 2HD2 LEU 127 HD21 LEU 127 -5.307 -0.149 11.673 999 3HD2 LEU 127 HD23 LEU 127 -3.574 0.153 11.800 1000 H GLY 128 HN GLY 128 -7.812 -4.307 14.129 1001 1HA GLY 128 HA2 GLY 128 -9.878 -3.581 14.997 1002 2HA GLY 128 HA1 GLY 128 -8.957 -3.457 16.496 1003 H MET 129 HN MET 129 -10.095 -1.657 13.684 1004 HA MET 129 HA MET 129 -9.124 0.885 14.839 1005 1HB MET 129 HB2 MET 129 -10.071 -0.034 12.220 1006 2HB MET 129 HB1 MET 129 -10.730 1.535 12.682 1007 1HG MET 129 HG2 MET 129 -7.783 0.881 12.887 1008 2HG MET 129 HG1 MET 129 -8.501 1.603 11.447 1009 1HE MET 129 HE1 MET 129 -7.102 3.603 11.422 1010 2HE MET 129 HE3 MET 129 -8.785 4.042 11.098 1011 3HE MET 129 HE2 MET 129 -7.780 5.076 12.111 Start of MODEL 5 Raw file had 1011 H/Q atoms Start of MODEL 5 1 H ALA 2 HN ALA 2 -13.704 -0.509 8.685 2 HA ALA 2 HA ALA 2 -12.700 1.448 10.533 3 1HB ALA 2 HB3 ALA 2 -11.410 -0.096 8.870 4 2HB ALA 2 HB2 ALA 2 -11.699 1.193 7.703 5 3HB ALA 2 HB1 ALA 2 -10.783 1.524 9.172 6 H ASP 3 HN ASP 3 -11.940 3.682 9.656 7 HA ASP 3 HA ASP 3 -14.100 5.367 9.187 8 1HB ASP 3 HB2 ASP 3 -11.211 5.569 9.003 9 2HB ASP 3 HB1 ASP 3 -11.982 6.530 7.741 10 H LYS 4 HN LYS 4 -15.129 6.197 7.310 11 HA LYS 4 HA LYS 4 -14.895 4.450 4.941 12 1HB LYS 4 HB2 LYS 4 -16.809 6.694 5.620 13 2HB LYS 4 HB1 LYS 4 -16.870 5.769 4.125 14 1HG LYS 4 HG2 LYS 4 -16.781 4.180 6.632 15 2HG LYS 4 HG1 LYS 4 -18.274 5.072 6.325 16 1HD LYS 4 HD2 LYS 4 -18.494 4.038 4.131 17 2HD LYS 4 HD1 LYS 4 -16.936 3.235 4.321 18 1HE LYS 4 HE2 LYS 4 -19.349 2.101 4.953 19 2HE LYS 4 HE1 LYS 4 -17.802 1.599 5.634 20 1HZ LYS 4 HZ1 LYS 4 -19.453 3.752 6.823 21 2HZ LYS 4 HZ3 LYS 4 -19.608 2.126 7.279 22 3HZ LYS 4 HZ2 LYS 4 -18.135 2.938 7.523 23 H GLU 5 HN GLU 5 -12.876 6.589 5.774 24 HA GLU 5 HA GLU 5 -12.512 7.681 3.069 25 1HB GLU 5 HB2 GLU 5 -12.975 9.446 5.491 26 2HB GLU 5 HB1 GLU 5 -12.230 10.026 4.003 27 1HG GLU 5 HG2 GLU 5 -14.302 9.149 2.786 28 2HG GLU 5 HG1 GLU 5 -15.036 8.961 4.379 29 H LEU 6 HN LEU 6 -10.979 5.795 4.534 30 HA LEU 6 HA LEU 6 -8.823 7.097 5.893 31 1HB LEU 6 HB2 LEU 6 -9.441 4.710 6.257 32 2HB LEU 6 HB1 LEU 6 -8.942 4.349 4.609 33 HG LEU 6 HG LEU 6 -6.638 4.891 5.118 34 1HD1 LEU 6 HD13 LEU 6 -7.838 5.935 7.671 35 2HD1 LEU 6 HD12 LEU 6 -6.164 5.385 7.642 36 3HD1 LEU 6 HD11 LEU 6 -6.674 6.713 6.600 37 1HD2 LEU 6 HD21 LEU 6 -7.748 2.679 5.926 38 2HD2 LEU 6 HD23 LEU 6 -6.143 3.095 6.535 39 3HD2 LEU 6 HD22 LEU 6 -7.565 3.373 7.535 40 H LYS 7 HN LYS 7 -7.273 8.320 4.872 41 HA LYS 7 HA LYS 7 -7.149 8.605 2.047 42 1HB LYS 7 HB2 LYS 7 -5.566 9.538 4.359 43 2HB LYS 7 HB1 LYS 7 -4.700 9.491 2.823 44 1HG LYS 7 HG2 LYS 7 -6.441 10.838 1.759 45 2HG LYS 7 HG1 LYS 7 -7.387 10.831 3.248 46 1HD LYS 7 HD2 LYS 7 -5.601 12.033 4.420 47 2HD LYS 7 HD1 LYS 7 -4.600 11.994 2.968 48 1HE LYS 7 HE2 LYS 7 -5.616 14.146 2.956 49 2HE LYS 7 HE1 LYS 7 -6.539 13.196 1.791 50 1HZ LYS 7 HZ2 LYS 7 -7.316 13.501 4.637 51 2HZ LYS 7 HZ1 LYS 7 -7.904 14.499 3.393 52 3HZ LYS 7 HZ3 LYS 7 -8.244 12.837 3.378 53 H PHE 8 HN PHE 8 -6.173 7.428 0.483 54 HA PHE 8 HA PHE 8 -4.138 5.399 1.283 55 1HB PHE 8 HB2 PHE 8 -6.165 5.417 -0.961 56 2HB PHE 8 HB1 PHE 8 -4.833 4.282 -0.889 57 HD1 PHE 8 HD2 PHE 8 -7.911 5.417 0.770 58 HD2 PHE 8 HD1 PHE 8 -4.865 2.408 0.640 59 HE1 PHE 8 HE2 PHE 8 -9.245 4.001 2.312 60 HE2 PHE 8 HE1 PHE 8 -6.213 0.971 2.151 61 HZ PHE 8 HZ PHE 8 -8.397 1.777 2.999 62 H LEU 9 HN LEU 9 -2.409 5.067 -0.219 63 HA LEU 9 HA LEU 9 -2.046 7.162 -2.298 64 1HB LEU 9 HB2 LEU 9 -0.779 8.054 -0.497 65 2HB LEU 9 HB1 LEU 9 -0.200 6.486 0.000 66 HG LEU 9 HG LEU 9 1.657 6.694 -1.273 67 1HD1 LEU 9 HD13 LEU 9 -0.181 7.437 -3.532 68 2HD1 LEU 9 HD12 LEU 9 1.528 7.788 -3.644 69 3HD1 LEU 9 HD11 LEU 9 1.002 6.136 -3.428 70 1HD2 LEU 9 HD21 LEU 9 1.341 8.990 -0.338 71 2HD2 LEU 9 HD23 LEU 9 2.325 8.943 -1.802 72 3HD2 LEU 9 HD22 LEU 9 0.646 9.467 -1.884 73 H VAL 10 HN VAL 10 -2.260 5.736 -4.007 74 HA VAL 10 HA VAL 10 -0.917 3.115 -3.859 75 HB VAL 10 HB VAL 10 -2.173 2.570 -5.826 76 1HG1 VAL 10 HG11 VAL 10 -3.361 3.461 -3.448 77 2HG1 VAL 10 HG13 VAL 10 -4.336 4.166 -4.737 78 3HG1 VAL 10 HG12 VAL 10 -4.101 2.420 -4.665 79 1HG2 VAL 10 HG22 VAL 10 -2.413 5.541 -6.052 80 2HG2 VAL 10 HG21 VAL 10 -2.026 4.363 -7.301 81 3HG2 VAL 10 HG23 VAL 10 -3.686 4.535 -6.734 82 H VAL 11 HN VAL 11 1.167 2.997 -4.500 83 HA VAL 11 HA VAL 11 2.228 5.008 -6.358 84 HB VAL 11 HB VAL 11 3.796 2.830 -4.979 85 1HG1 VAL 11 HG13 VAL 11 4.484 4.756 -6.872 86 2HG1 VAL 11 HG12 VAL 11 5.007 5.458 -5.342 87 3HG1 VAL 11 HG11 VAL 11 5.602 3.875 -5.832 88 1HG2 VAL 11 HG23 VAL 11 2.495 4.139 -3.291 89 2HG2 VAL 11 HG22 VAL 11 4.231 4.412 -3.160 90 3HG2 VAL 11 HG21 VAL 11 3.207 5.616 -3.933 91 H ASP 12 HN ASP 12 1.439 4.281 -8.382 92 HA ASP 12 HA ASP 12 2.586 1.676 -9.313 93 1HB ASP 12 HB2 ASP 12 0.099 2.536 -10.635 94 2HB ASP 12 HB1 ASP 12 0.577 0.936 -10.070 95 H ASP 13 HN ASP 13 3.964 2.054 -10.985 96 HA ASP 13 HA ASP 13 4.202 4.628 -12.233 97 1HB ASP 13 HB2 ASP 13 6.184 3.464 -12.423 98 2HB ASP 13 HB1 ASP 13 5.374 1.917 -12.677 99 H PHE 14 HN PHE 14 2.218 1.855 -12.911 100 HA PHE 14 HA PHE 14 1.696 2.226 -15.670 101 1HB PHE 14 HB2 PHE 14 0.407 0.871 -13.413 102 2HB PHE 14 HB1 PHE 14 -0.747 1.451 -14.614 103 HD1 PHE 14 HD1 PHE 14 -0.308 0.884 -17.082 104 HD2 PHE 14 HD2 PHE 14 1.703 -1.060 -13.822 105 HE1 PHE 14 HE1 PHE 14 0.306 -0.994 -18.580 106 HE2 PHE 14 HE2 PHE 14 2.317 -2.938 -15.320 107 HZ PHE 14 HZ PHE 14 1.619 -2.905 -17.700 108 H SER 15 HN SER 15 0.178 3.507 -16.783 109 HA SER 15 HA SER 15 -0.705 5.923 -15.307 110 1HB SER 15 HB2 SER 15 0.511 6.209 -17.449 111 2HB SER 15 HB1 SER 15 -0.755 5.306 -18.277 112 HG SER 15 HG SER 15 -2.221 6.940 -17.405 113 H THR 16 HN THR 16 -2.024 3.147 -15.246 114 HA THR 16 HA THR 16 -4.774 4.171 -15.491 115 HB THR 16 HB THR 16 -4.529 3.351 -17.731 116 HG1 THR 16 HG1 THR 16 -5.613 1.180 -16.279 117 1HG2 THR 16 HG22 THR 16 -2.804 1.390 -16.398 118 2HG2 THR 16 HG21 THR 16 -3.858 0.674 -17.618 119 3HG2 THR 16 HG23 THR 16 -2.759 1.981 -18.059 120 H MET 17 HN MET 17 -2.434 2.231 -14.050 121 HA MET 17 HA MET 17 -4.059 0.111 -12.994 122 1HB MET 17 HB2 MET 17 -1.720 -0.214 -12.805 123 2HB MET 17 HB1 MET 17 -1.471 1.384 -12.099 124 1HG MET 17 HG2 MET 17 -2.256 0.737 -10.010 125 2HG MET 17 HG1 MET 17 -3.247 -0.562 -10.670 126 1HE MET 17 HE2 MET 17 -1.443 -0.492 -8.191 127 2HE MET 17 HE1 MET 17 -2.152 -2.072 -8.512 128 3HE MET 17 HE3 MET 17 -0.420 -1.924 -8.188 129 NH1 ARG 18 NH2 ARG 18 0.407 5.661 -9.730 130 NH2 ARG 18 NH1 ARG 18 0.732 6.238 -11.893 131 H ARG 18 HN ARG 18 -3.421 3.428 -11.918 132 HA ARG 18 HA ARG 18 -4.419 3.342 -9.309 133 1HB ARG 18 HB2 ARG 18 -5.599 5.609 -10.629 134 2HB ARG 18 HB1 ARG 18 -4.273 5.573 -9.482 135 1HG ARG 18 HG2 ARG 18 -3.980 5.044 -12.457 136 2HG ARG 18 HG1 ARG 18 -3.638 6.586 -11.678 137 1HD ARG 18 HD2 ARG 18 -2.294 4.490 -10.238 138 2HD ARG 18 HD1 ARG 18 -1.882 4.381 -11.950 139 HE ARG 18 HE ARG 18 -1.728 7.114 -11.052 140 1HH1 ARG 18 HH21 ARG 18 -0.212 5.507 -8.959 141 2HH1 ARG 18 HH22 ARG 18 1.390 5.527 -9.616 142 1HH2 ARG 18 HH11 ARG 18 0.364 6.525 -12.777 143 2HH2 ARG 18 HH12 ARG 18 1.717 6.104 -11.781 144 NH1 ARG 19 NH1 ARG 19 -9.982 4.246 -17.077 145 NH2 ARG 19 NH2 ARG 19 -9.700 2.145 -17.863 146 H ARG 19 HN ARG 19 -6.272 3.589 -12.336 147 HA ARG 19 HA ARG 19 -8.823 3.877 -11.238 148 1HB ARG 19 HB2 ARG 19 -7.985 3.723 -13.741 149 2HB ARG 19 HB1 ARG 19 -8.462 2.033 -13.572 150 1HG ARG 19 HG2 ARG 19 -10.653 3.141 -12.523 151 2HG ARG 19 HG1 ARG 19 -10.157 4.493 -13.541 152 1HD ARG 19 HD2 ARG 19 -11.014 1.735 -14.338 153 2HD ARG 19 HD1 ARG 19 -11.452 3.289 -15.045 154 HE ARG 19 HE ARG 19 -8.721 2.120 -15.397 155 1HH1 ARG 19 HH11 ARG 19 -10.020 4.885 -16.310 156 2HH1 ARG 19 HH12 ARG 19 -10.122 4.576 -18.011 157 1HH2 ARG 19 HH21 ARG 19 -9.521 1.175 -17.697 158 2HH2 ARG 19 HH22 ARG 19 -9.840 2.475 -18.796 159 H ILE 20 HN ILE 20 -6.868 0.948 -11.509 160 HA ILE 20 HA ILE 20 -8.911 -0.956 -10.943 161 HB ILE 20 HB ILE 20 -5.956 -0.964 -10.291 162 1HG1 ILE 20 HG12 ILE 20 -6.445 -0.996 -12.690 163 2HG1 ILE 20 HG11 ILE 20 -5.828 -2.564 -12.182 164 1HG2 ILE 20 HG23 ILE 20 -8.094 -2.959 -9.717 165 2HG2 ILE 20 HG22 ILE 20 -6.495 -3.542 -10.177 166 3HG2 ILE 20 HG21 ILE 20 -6.682 -2.511 -8.759 167 1HD1 ILE 20 HD12 ILE 20 -8.448 -3.060 -11.870 168 2HD1 ILE 20 HD11 ILE 20 -8.563 -1.806 -13.102 169 3HD1 ILE 20 HD13 ILE 20 -7.638 -3.271 -13.419 170 H VAL 21 HN VAL 21 -6.584 0.543 -8.685 171 HA VAL 21 HA VAL 21 -7.977 -0.548 -6.395 172 HB VAL 21 HB VAL 21 -6.346 1.503 -5.456 173 1HG1 VAL 21 HG11 VAL 21 -5.835 -1.431 -6.024 174 2HG1 VAL 21 HG13 VAL 21 -4.771 -0.430 -5.036 175 3HG1 VAL 21 HG12 VAL 21 -6.433 -0.728 -4.522 176 1HG2 VAL 21 HG22 VAL 21 -5.598 1.805 -7.840 177 2HG2 VAL 21 HG21 VAL 21 -4.296 1.316 -6.756 178 3HG2 VAL 21 HG23 VAL 21 -5.041 0.131 -7.829 179 NH1 ARG 22 NH1 ARG 22 -11.603 9.175 -7.261 180 NH2 ARG 22 NH2 ARG 22 -10.362 9.932 -5.529 181 H ARG 22 HN ARG 22 -8.040 2.577 -8.049 182 HA ARG 22 HA ARG 22 -9.301 4.150 -6.080 183 1HB ARG 22 HB2 ARG 22 -8.974 4.217 -8.950 184 2HB ARG 22 HB1 ARG 22 -10.596 4.742 -8.525 185 1HG ARG 22 HG2 ARG 22 -8.141 5.843 -7.132 186 2HG ARG 22 HG1 ARG 22 -8.783 6.563 -8.605 187 1HD ARG 22 HD2 ARG 22 -11.032 6.722 -7.421 188 2HD ARG 22 HD1 ARG 22 -10.186 6.288 -5.935 189 HE ARG 22 HE ARG 22 -8.701 8.397 -6.805 190 1HH1 ARG 22 HH11 ARG 22 -11.738 8.529 -8.012 191 2HH1 ARG 22 HH12 ARG 22 -12.283 9.886 -7.085 192 1HH2 ARG 22 HH21 ARG 22 -9.546 9.867 -4.954 193 2HH2 ARG 22 HH22 ARG 22 -11.043 10.644 -5.353 194 H ASN 23 HN ASN 23 -10.878 2.191 -8.607 195 HA ASN 23 HA ASN 23 -13.540 2.495 -7.635 196 1HB ASN 23 HB2 ASN 23 -12.246 1.336 -9.780 197 2HB ASN 23 HB1 ASN 23 -12.874 -0.040 -8.916 198 1HD2 ASN 23 HD22 ASN 23 -15.658 2.726 -10.177 199 2HD2 ASN 23 HD21 ASN 23 -14.147 3.267 -9.625 200 H LEU 24 HN LEU 24 -11.326 -0.257 -7.449 201 HA LEU 24 HA LEU 24 -12.661 -2.048 -5.870 202 1HB LEU 24 HB2 LEU 24 -10.232 -2.095 -6.724 203 2HB LEU 24 HB1 LEU 24 -9.829 -1.239 -5.249 204 HG LEU 24 HG LEU 24 -11.493 -3.567 -4.675 205 1HD1 LEU 24 HD13 LEU 24 -10.446 -4.417 -6.756 206 2HD1 LEU 24 HD12 LEU 24 -8.854 -4.084 -6.073 207 3HD1 LEU 24 HD11 LEU 24 -9.895 -5.299 -5.332 208 1HD2 LEU 24 HD23 LEU 24 -8.779 -2.547 -3.824 209 2HD2 LEU 24 HD22 LEU 24 -10.235 -2.761 -2.861 210 3HD2 LEU 24 HD21 LEU 24 -9.307 -4.161 -3.379 211 H LEU 25 HN LEU 25 -10.597 0.523 -4.471 212 HA LEU 25 HA LEU 25 -11.376 0.163 -1.775 213 1HB LEU 25 HB2 LEU 25 -10.331 2.499 -3.357 214 2HB LEU 25 HB1 LEU 25 -10.826 2.738 -1.691 215 HG LEU 25 HG LEU 25 -8.832 0.640 -2.589 216 1HD1 LEU 25 HD11 LEU 25 -8.519 3.471 -1.617 217 2HD1 LEU 25 HD13 LEU 25 -7.266 2.275 -1.284 218 3HD1 LEU 25 HD12 LEU 25 -7.698 2.659 -2.950 219 1HD2 LEU 25 HD21 LEU 25 -10.177 1.261 -0.047 220 2HD2 LEU 25 HD23 LEU 25 -9.289 -0.185 -0.524 221 3HD2 LEU 25 HD22 LEU 25 -8.421 1.220 0.090 222 H LYS 26 HN LYS 26 -12.735 2.425 -4.199 223 HA LYS 26 HA LYS 26 -14.754 3.494 -2.550 224 1HB LYS 26 HB2 LYS 26 -14.197 4.412 -4.773 225 2HB LYS 26 HB1 LYS 26 -14.865 2.968 -5.534 226 1HG LYS 26 HG2 LYS 26 -17.075 3.460 -4.676 227 2HG LYS 26 HG1 LYS 26 -16.450 4.803 -3.717 228 1HD LYS 26 HD2 LYS 26 -15.658 5.116 -6.477 229 2HD LYS 26 HD1 LYS 26 -17.407 4.906 -6.373 230 1HE LYS 26 HE2 LYS 26 -16.631 7.303 -6.164 231 2HE LYS 26 HE1 LYS 26 -17.607 6.732 -4.809 232 1HZ LYS 26 HZ3 LYS 26 -14.992 6.077 -4.208 233 2HZ LYS 26 HZ2 LYS 26 -14.934 7.664 -4.811 234 3HZ LYS 26 HZ1 LYS 26 -15.935 7.290 -3.491 235 H GLU 27 HN GLU 27 -14.561 0.430 -4.237 236 HA GLU 27 HA GLU 27 -17.278 -0.303 -4.234 237 1HB GLU 27 HB2 GLU 27 -15.174 -1.530 -5.195 238 2HB GLU 27 HB1 GLU 27 -15.131 -2.310 -3.613 239 1HG GLU 27 HG2 GLU 27 -16.506 -3.785 -4.760 240 2HG GLU 27 HG1 GLU 27 -17.712 -2.682 -4.097 241 H LEU 28 HN LEU 28 -14.851 -0.452 -1.670 242 HA LEU 28 HA LEU 28 -16.675 -1.813 0.171 243 1HB LEU 28 HB2 LEU 28 -14.168 -0.363 0.993 244 2HB LEU 28 HB1 LEU 28 -14.895 -1.800 1.712 245 HG LEU 28 HG LEU 28 -13.527 -1.621 -0.987 246 1HD1 LEU 28 HD11 LEU 28 -12.082 -1.740 1.071 247 2HD1 LEU 28 HD13 LEU 28 -12.861 -3.272 1.466 248 3HD1 LEU 28 HD12 LEU 28 -11.902 -3.126 -0.007 249 1HD2 LEU 28 HD23 LEU 28 -15.226 -3.745 0.308 250 2HD2 LEU 28 HD22 LEU 28 -15.263 -3.161 -1.356 251 3HD2 LEU 28 HD21 LEU 28 -13.942 -4.197 -0.815 252 H GLY 29 HN GLY 29 -15.103 1.399 0.251 253 1HA GLY 29 HA2 GLY 29 -17.260 3.041 0.575 254 2HA GLY 29 HA1 GLY 29 -17.045 2.347 2.173 255 H PHE 30 HN PHE 30 -14.853 3.658 -0.340 256 HA PHE 30 HA PHE 30 -13.748 5.511 1.723 257 1HB PHE 30 HB2 PHE 30 -12.126 3.679 -0.072 258 2HB PHE 30 HB1 PHE 30 -11.440 4.989 0.878 259 HD1 PHE 30 HD2 PHE 30 -13.059 1.688 0.999 260 HD2 PHE 30 HD1 PHE 30 -11.279 4.831 3.282 261 HE1 PHE 30 HE2 PHE 30 -12.956 0.183 2.970 262 HE2 PHE 30 HE1 PHE 30 -11.168 3.344 5.265 263 HZ PHE 30 HZ PHE 30 -12.008 1.014 5.107 264 H ASN 31 HN ASN 31 -12.886 7.468 0.802 265 HA ASN 31 HA ASN 31 -12.997 7.763 -2.139 266 1HB ASN 31 HB2 ASN 31 -15.306 8.255 -1.289 267 2HB ASN 31 HB1 ASN 31 -14.623 9.566 -0.326 268 1HD2 ASN 31 HD22 ASN 31 -13.496 10.722 -3.911 269 2HD2 ASN 31 HD21 ASN 31 -12.628 9.703 -2.868 270 H ASN 32 HN ASN 32 -10.624 7.929 -1.318 271 HA ASN 32 HA ASN 32 -9.768 10.639 -1.545 272 1HB ASN 32 HB2 ASN 32 -10.662 10.210 1.013 273 2HB ASN 32 HB1 ASN 32 -8.964 9.781 1.172 274 1HD2 ASN 32 HD22 ASN 32 -9.914 13.641 1.063 275 2HD2 ASN 32 HD21 ASN 32 -11.014 12.395 1.408 276 H VAL 33 HN VAL 33 -8.271 9.750 -3.006 277 HA VAL 33 HA VAL 33 -5.987 8.354 -1.750 278 HB VAL 33 HB VAL 33 -7.484 6.545 -2.486 279 1HG1 VAL 33 HG11 VAL 33 -8.621 7.914 -4.251 280 2HG1 VAL 33 HG13 VAL 33 -7.181 7.738 -5.254 281 3HG1 VAL 33 HG12 VAL 33 -8.127 6.317 -4.812 282 1HG2 VAL 33 HG21 VAL 33 -4.802 6.806 -3.078 283 2HG2 VAL 33 HG23 VAL 33 -5.732 5.319 -3.257 284 3HG2 VAL 33 HG22 VAL 33 -5.490 6.382 -4.643 285 H GLU 34 HN GLU 34 -4.006 8.581 -2.968 286 HA GLU 34 HA GLU 34 -4.228 10.372 -5.357 287 1HB GLU 34 HB2 GLU 34 -2.455 11.683 -4.644 288 2HB GLU 34 HB1 GLU 34 -3.275 11.353 -3.130 289 1HG GLU 34 HG2 GLU 34 -1.174 10.791 -2.462 290 2HG GLU 34 HG1 GLU 34 -1.571 9.250 -3.196 291 H GLU 35 HN GLU 35 -1.647 10.234 -6.285 292 HA GLU 35 HA GLU 35 -1.001 7.343 -6.505 293 1HB GLU 35 HB2 GLU 35 -1.253 9.031 -8.990 294 2HB GLU 35 HB1 GLU 35 -1.171 7.277 -8.861 295 1HG GLU 35 HG2 GLU 35 -3.454 7.751 -9.307 296 2HG GLU 35 HG1 GLU 35 -3.391 7.424 -7.578 297 H ALA 36 HN ALA 36 1.124 6.931 -7.301 298 HA ALA 36 HA ALA 36 2.898 9.310 -7.609 299 1HB ALA 36 HB3 ALA 36 2.904 7.331 -5.443 300 2HB ALA 36 HB2 ALA 36 4.472 7.545 -6.204 301 3HB ALA 36 HB1 ALA 36 3.640 8.929 -5.499 302 H GLU 37 HN GLU 37 5.298 8.028 -7.954 303 HA GLU 37 HA GLU 37 4.767 6.116 -10.203 304 1HB GLU 37 HB2 GLU 37 7.109 7.996 -10.207 305 2HB GLU 37 HB1 GLU 37 6.308 7.214 -11.571 306 1HG GLU 37 HG2 GLU 37 4.231 8.612 -10.857 307 2HG GLU 37 HG1 GLU 37 5.394 9.588 -9.960 308 H ASP 38 HN ASP 38 6.206 6.398 -7.189 309 HA ASP 38 HA ASP 38 7.449 3.878 -7.255 310 1HB ASP 38 HB2 ASP 38 9.912 4.886 -7.164 311 2HB ASP 38 HB1 ASP 38 9.179 4.417 -8.696 312 H GLY 39 HN GLY 39 9.321 3.852 -5.427 313 1HA GLY 39 HA2 GLY 39 8.054 4.743 -3.024 314 2HA GLY 39 HA1 GLY 39 9.710 4.140 -3.129 315 H VAL 40 HN VAL 40 10.671 6.105 -4.993 316 HA VAL 40 HA VAL 40 11.362 8.215 -3.170 317 HB VAL 40 HB VAL 40 11.588 8.624 -6.124 318 1HG1 VAL 40 HG11 VAL 40 12.536 10.077 -4.164 319 2HG1 VAL 40 HG13 VAL 40 13.757 8.808 -4.043 320 3HG1 VAL 40 HG12 VAL 40 13.578 9.721 -5.543 321 1HG2 VAL 40 HG23 VAL 40 12.838 6.395 -4.532 322 2HG2 VAL 40 HG22 VAL 40 12.158 6.348 -6.159 323 3HG2 VAL 40 HG21 VAL 40 13.719 7.119 -5.877 324 H ASP 41 HN ASP 41 9.093 8.034 -5.900 325 HA ASP 41 HA ASP 41 8.259 10.784 -5.736 326 1HB ASP 41 HB2 ASP 41 7.903 9.032 -7.625 327 2HB ASP 41 HB1 ASP 41 6.502 8.538 -6.690 328 H ALA 42 HN ALA 42 7.011 7.749 -4.373 329 HA ALA 42 HA ALA 42 4.715 8.872 -3.095 330 1HB ALA 42 HB3 ALA 42 5.787 6.339 -3.320 331 2HB ALA 42 HB2 ALA 42 6.034 6.704 -1.613 332 3HB ALA 42 HB1 ALA 42 4.413 6.767 -2.300 333 H LEU 43 HN LEU 43 7.886 8.018 -1.659 334 HA LEU 43 HA LEU 43 7.554 9.106 0.878 335 1HB LEU 43 HB2 LEU 43 9.611 7.943 0.159 336 2HB LEU 43 HB1 LEU 43 10.035 9.320 -0.858 337 HG LEU 43 HG LEU 43 9.431 10.175 1.850 338 1HD1 LEU 43 HD11 LEU 43 11.646 8.138 1.468 339 2HD1 LEU 43 HD13 LEU 43 11.449 9.154 2.897 340 3HD1 LEU 43 HD12 LEU 43 10.222 7.954 2.494 341 1HD2 LEU 43 HD23 LEU 43 11.940 10.276 0.144 342 2HD2 LEU 43 HD22 LEU 43 10.661 11.490 0.157 343 3HD2 LEU 43 HD21 LEU 43 11.650 11.236 1.595 344 H ASN 44 HN ASN 44 8.114 10.812 -2.157 345 HA ASN 44 HA ASN 44 8.397 13.402 -0.794 346 1HB ASN 44 HB2 ASN 44 8.510 12.423 -3.617 347 2HB ASN 44 HB1 ASN 44 8.136 14.125 -3.346 348 1HD2 ASN 44 HD22 ASN 44 11.938 12.921 -3.019 349 2HD2 ASN 44 HD21 ASN 44 10.716 11.979 -3.726 350 H LYS 45 HN LYS 45 5.900 11.563 -2.455 351 HA LYS 45 HA LYS 45 4.041 13.860 -2.387 352 1HB LYS 45 HB2 LYS 45 4.130 11.222 -3.711 353 2HB LYS 45 HB1 LYS 45 2.529 11.706 -3.158 354 1HG LYS 45 HG2 LYS 45 2.919 12.499 -5.453 355 2HG LYS 45 HG1 LYS 45 2.774 13.865 -4.348 356 1HD LYS 45 HD2 LYS 45 5.073 14.331 -4.415 357 2HD LYS 45 HD1 LYS 45 5.483 12.702 -4.952 358 1HE LYS 45 HE2 LYS 45 5.050 13.174 -7.150 359 2HE LYS 45 HE1 LYS 45 3.724 14.268 -6.761 360 1HZ LYS 45 HZ1 LYS 45 5.760 15.630 -5.763 361 2HZ LYS 45 HZ3 LYS 45 6.570 14.814 -7.010 362 3HZ LYS 45 HZ2 LYS 45 5.236 15.804 -7.370 363 H LEU 46 HN LEU 46 5.027 11.491 -0.217 364 HA LEU 46 HA LEU 46 2.370 11.182 1.012 365 1HB LEU 46 HB2 LEU 46 4.800 9.682 1.076 366 2HB LEU 46 HB1 LEU 46 4.538 10.269 2.705 367 HG LEU 46 HG LEU 46 1.999 9.314 1.882 368 1HD1 LEU 46 HD11 LEU 46 3.482 8.156 0.051 369 2HD1 LEU 46 HD13 LEU 46 3.964 7.110 1.385 370 3HD1 LEU 46 HD12 LEU 46 2.270 7.226 0.917 371 1HD2 LEU 46 HD22 LEU 46 3.103 9.195 4.137 372 2HD2 LEU 46 HD21 LEU 46 2.317 7.705 3.634 373 3HD2 LEU 46 HD23 LEU 46 4.069 7.851 3.524 374 H GLN 47 HN GLN 47 5.257 13.088 1.352 375 HA GLN 47 HA GLN 47 4.957 13.985 4.031 376 1HB GLN 47 HB2 GLN 47 5.945 15.521 1.605 377 2HB GLN 47 HB1 GLN 47 6.185 16.014 3.280 378 1HG GLN 47 HG2 GLN 47 7.189 13.563 3.503 379 2HG GLN 47 HG1 GLN 47 7.445 13.759 1.769 380 1HE2 GLN 47 HE22 GLN 47 9.283 16.593 4.121 381 2HE2 GLN 47 HE21 GLN 47 7.686 16.140 4.472 382 H ALA 48 HN ALA 48 2.886 14.335 1.389 383 HA ALA 48 HA ALA 48 1.781 16.865 1.537 384 1HB ALA 48 HB1 ALA 48 1.053 14.558 0.303 385 2HB ALA 48 HB3 ALA 48 -0.211 14.669 1.527 386 3HB ALA 48 HB2 ALA 48 0.020 15.985 0.376 387 H GLY 49 HN GLY 49 0.347 14.126 3.357 388 1HA GLY 49 HA2 GLY 49 0.063 15.949 5.709 389 2HA GLY 49 HA1 GLY 49 -1.364 15.114 5.092 390 H GLY 50 HN GLY 50 -1.612 12.927 5.515 391 1HA GLY 50 HA2 GLY 50 0.580 11.376 6.704 392 2HA GLY 50 HA1 GLY 50 -0.768 11.712 7.792 393 OH TYR 51 OH TYR 51 -2.454 12.182 -1.090 394 H TYR 51 HN TYR 51 -0.204 10.555 4.474 395 HA TYR 51 HA TYR 51 -2.637 9.402 3.918 396 1HB TYR 51 HB2 TYR 51 0.171 8.659 3.203 397 2HB TYR 51 HB1 TYR 51 -1.144 7.572 2.744 398 HD1 TYR 51 HD1 TYR 51 -2.962 8.326 1.290 399 HD2 TYR 51 HD2 TYR 51 0.341 10.883 2.265 400 HE1 TYR 51 HE1 TYR 51 -3.672 9.914 -0.480 401 HE2 TYR 51 HE2 TYR 51 -0.353 12.468 0.491 402 HH TYR 51 HH TYR 51 -2.286 13.072 -0.770 403 H GLY 52 HN GLY 52 -3.715 8.527 5.612 404 1HA GLY 52 HA2 GLY 52 -2.792 6.867 7.639 405 2HA GLY 52 HA1 GLY 52 -4.423 6.799 7.008 406 H PHE 53 HN PHE 53 -2.830 6.207 4.318 407 HA PHE 53 HA PHE 53 -2.022 3.431 4.852 408 1HB PHE 53 HB2 PHE 53 -4.680 3.913 4.385 409 2HB PHE 53 HB1 PHE 53 -4.100 3.598 2.763 410 HD1 PHE 53 HD1 PHE 53 -1.864 1.543 3.713 411 HD2 PHE 53 HD2 PHE 53 -6.054 1.980 4.522 412 HE1 PHE 53 HE1 PHE 53 -2.038 -0.856 4.136 413 HE2 PHE 53 HE2 PHE 53 -6.231 -0.428 4.930 414 HZ PHE 53 HZ PHE 53 -4.207 -1.870 4.752 415 H VAL 54 HN VAL 54 -0.651 2.657 3.207 416 HA VAL 54 HA VAL 54 -0.468 4.269 0.697 417 HB VAL 54 HB VAL 54 1.878 3.175 2.247 418 1HG1 VAL 54 HG11 VAL 54 1.558 4.537 -0.376 419 2HG1 VAL 54 HG13 VAL 54 2.941 5.011 0.609 420 3HG1 VAL 54 HG12 VAL 54 2.736 3.328 0.129 421 1HG2 VAL 54 HG22 VAL 54 0.721 5.956 2.101 422 2HG2 VAL 54 HG21 VAL 54 1.021 4.985 3.541 423 3HG2 VAL 54 HG23 VAL 54 2.376 5.633 2.621 424 H ILE 55 HN ILE 55 -1.202 2.804 -0.791 425 HA ILE 55 HA ILE 55 -0.499 -0.070 -0.534 426 HB ILE 55 HB ILE 55 -2.110 1.377 -2.677 427 1HG1 ILE 55 HG12 ILE 55 -3.247 -0.313 -0.454 428 2HG1 ILE 55 HG11 ILE 55 -2.940 1.404 -0.199 429 1HG2 ILE 55 HG22 ILE 55 -1.168 -0.855 -3.311 430 2HG2 ILE 55 HG21 ILE 55 -1.998 -1.558 -1.922 431 3HG2 ILE 55 HG23 ILE 55 -2.929 -0.849 -3.240 432 1HD1 ILE 55 HD13 ILE 55 -4.436 0.539 -2.650 433 2HD1 ILE 55 HD12 ILE 55 -5.284 0.612 -1.105 434 3HD1 ILE 55 HD11 ILE 55 -4.530 2.062 -1.766 435 H SER 56 HN SER 56 1.847 0.372 -0.871 436 HA SER 56 HA SER 56 2.659 1.452 -3.478 437 1HB SER 56 HB2 SER 56 4.706 1.712 -2.527 438 2HB SER 56 HB1 SER 56 3.852 1.417 -1.016 439 HG SER 56 HG SER 56 4.262 -0.918 -1.661 440 H ASP 57 HN ASP 57 4.232 0.177 -4.829 441 HA ASP 57 HA ASP 57 3.225 -2.602 -5.127 442 1HB ASP 57 HB2 ASP 57 4.944 -0.945 -6.999 443 2HB ASP 57 HB1 ASP 57 4.207 -2.505 -7.366 444 CH2 TRP 58 CH2 TRP 58 10.938 -5.609 -0.828 445 H TRP 58 HN TRP 58 5.855 -2.981 -6.741 446 HA TRP 58 HA TRP 58 8.001 -2.991 -4.809 447 1HB TRP 58 HB2 TRP 58 6.565 -4.751 -3.808 448 2HB TRP 58 HB1 TRP 58 6.607 -5.639 -5.328 449 HD1 TRP 58 HD1 TRP 58 8.918 -6.776 -6.033 450 HE1 TRP 58 HE1 TRP 58 10.972 -7.471 -4.636 451 HE3 TRP 58 HE3 TRP 58 8.027 -4.112 -1.775 452 HZ2 TRP 58 HZ2 TRP 58 12.083 -6.965 -2.043 453 HZ3 TRP 58 HZ3 TRP 58 9.590 -4.237 0.141 454 HH2 TRP 58 HH2 TRP 58 11.616 -5.657 0.010 455 H ASN 59 HN ASN 59 9.252 -2.285 -6.579 456 HA ASN 59 HA ASN 59 10.141 -4.397 -8.407 457 1HB ASN 59 HB2 ASN 59 8.631 -1.958 -9.374 458 2HB ASN 59 HB1 ASN 59 9.709 -2.877 -10.427 459 1HD2 ASN 59 HD22 ASN 59 7.577 -5.836 -10.289 460 2HD2 ASN 59 HD21 ASN 59 9.223 -5.425 -10.233 461 H MET 60 HN MET 60 11.449 -2.548 -10.247 462 HA MET 60 HA MET 60 13.123 -0.898 -8.428 463 1HB MET 60 HB2 MET 60 14.084 -3.188 -10.136 464 2HB MET 60 HB1 MET 60 15.166 -1.879 -9.668 465 1HG MET 60 HG2 MET 60 13.541 -3.477 -7.676 466 2HG MET 60 HG1 MET 60 15.199 -3.873 -8.116 467 1HE MET 60 HE1 MET 60 15.946 -3.742 -5.676 468 2HE MET 60 HE3 MET 60 17.100 -3.138 -6.872 469 3HE MET 60 HE2 MET 60 16.890 -2.292 -5.341 470 HA PRO 61 HA PRO 61 12.274 0.861 -12.794 471 1HB PRO 61 HB2 PRO 61 11.029 3.124 -11.530 472 2HB PRO 61 HB1 PRO 61 10.272 1.948 -12.613 473 1HG PRO 61 HG2 PRO 61 9.934 2.208 -9.744 474 2HG PRO 61 HG1 PRO 61 9.109 1.100 -10.848 475 1HD PRO 61 HD2 PRO 61 11.101 0.426 -8.913 476 2HD PRO 61 HD1 PRO 61 10.375 -0.632 -10.139 477 H ASN 62 HN ASN 62 13.222 1.857 -9.624 478 HA ASN 62 HA ASN 62 15.709 3.030 -10.439 479 1HB ASN 62 HB2 ASN 62 14.892 5.339 -9.327 480 2HB ASN 62 HB1 ASN 62 14.758 5.052 -11.063 481 1HD2 ASN 62 HD22 ASN 62 11.267 5.401 -10.981 482 2HD2 ASN 62 HD21 ASN 62 12.715 5.545 -11.854 483 H MET 63 HN MET 63 13.154 2.509 -8.158 484 HA MET 63 HA MET 63 15.043 1.791 -6.046 485 1HB MET 63 HB2 MET 63 13.170 4.165 -5.740 486 2HB MET 63 HB1 MET 63 13.953 3.355 -4.383 487 1HG MET 63 HG2 MET 63 16.169 3.789 -5.624 488 2HG MET 63 HG1 MET 63 15.248 4.911 -6.625 489 1HE MET 63 HE2 MET 63 17.360 6.384 -5.616 490 2HE MET 63 HE1 MET 63 17.482 6.856 -3.922 491 3HE MET 63 HE3 MET 63 17.774 5.177 -4.400 492 H ASP 64 HN ASP 64 14.005 0.335 -4.587 493 HA ASP 64 HA ASP 64 11.362 -0.585 -5.515 494 1HB ASP 64 HB2 ASP 64 11.722 -2.494 -4.032 495 2HB ASP 64 HB1 ASP 64 13.158 -2.226 -5.017 496 H GLY 65 HN GLY 65 9.691 -1.139 -3.821 497 1HA GLY 65 HA2 GLY 65 9.144 1.237 -2.257 498 2HA GLY 65 HA1 GLY 65 8.136 -0.202 -2.315 499 H LEU 66 HN LEU 66 11.073 -1.439 -1.648 500 HA LEU 66 HA LEU 66 10.468 -2.095 1.041 501 1HB LEU 66 HB2 LEU 66 12.112 -3.359 -0.302 502 2HB LEU 66 HB1 LEU 66 13.191 -1.969 -0.300 503 HG LEU 66 HG LEU 66 13.409 -2.104 2.141 504 1HD1 LEU 66 HD12 LEU 66 11.268 -4.168 1.783 505 2HD1 LEU 66 HD11 LEU 66 12.420 -4.370 3.101 506 3HD1 LEU 66 HD13 LEU 66 11.416 -2.922 3.019 507 1HD2 LEU 66 HD22 LEU 66 13.826 -4.716 0.664 508 2HD2 LEU 66 HD21 LEU 66 14.999 -3.418 0.885 509 3HD2 LEU 66 HD23 LEU 66 14.484 -4.388 2.266 510 H GLU 67 HN GLU 67 13.080 0.114 -0.031 511 HA GLU 67 HA GLU 67 13.688 1.261 2.437 512 1HB GLU 67 HB2 GLU 67 14.904 1.793 0.351 513 2HB GLU 67 HB1 GLU 67 13.506 2.698 -0.232 514 1HG GLU 67 HG2 GLU 67 14.017 4.504 1.029 515 2HG GLU 67 HG1 GLU 67 14.344 3.515 2.453 516 H LEU 68 HN LEU 68 10.752 1.451 0.700 517 HA LEU 68 HA LEU 68 9.825 3.978 1.800 518 1HB LEU 68 HB2 LEU 68 8.999 2.438 -0.278 519 2HB LEU 68 HB1 LEU 68 7.854 1.923 0.953 520 HG LEU 68 HG LEU 68 7.317 4.337 1.387 521 1HD1 LEU 68 HD12 LEU 68 9.420 4.659 -0.685 522 2HD1 LEU 68 HD11 LEU 68 7.991 5.667 -0.885 523 3HD1 LEU 68 HD13 LEU 68 8.926 5.757 0.601 524 1HD2 LEU 68 HD22 LEU 68 5.935 2.900 -0.098 525 2HD2 LEU 68 HD21 LEU 68 5.925 4.585 -0.620 526 3HD2 LEU 68 HD23 LEU 68 6.918 3.402 -1.472 527 H LEU 69 HN LEU 69 8.869 0.574 2.415 528 HA LEU 69 HA LEU 69 7.420 1.308 4.796 529 1HB LEU 69 HB2 LEU 69 6.556 -0.710 4.474 530 2HB LEU 69 HB1 LEU 69 7.692 -0.973 3.169 531 HG LEU 69 HG LEU 69 9.362 -1.802 4.891 532 1HD1 LEU 69 HD11 LEU 69 7.203 -0.962 6.682 533 2HD1 LEU 69 HD13 LEU 69 7.599 -2.667 6.912 534 3HD1 LEU 69 HD12 LEU 69 8.849 -1.443 7.080 535 1HD2 LEU 69 HD22 LEU 69 6.941 -3.074 3.891 536 2HD2 LEU 69 HD21 LEU 69 8.575 -3.715 4.013 537 3HD2 LEU 69 HD23 LEU 69 7.490 -3.816 5.396 538 H LYS 70 HN LYS 70 10.696 0.229 4.134 539 HA LYS 70 HA LYS 70 11.470 -0.371 6.822 540 1HB LYS 70 HB2 LYS 70 12.710 -0.533 4.398 541 2HB LYS 70 HB1 LYS 70 13.514 0.880 5.083 542 1HG LYS 70 HG2 LYS 70 13.829 -0.533 7.207 543 2HG LYS 70 HG1 LYS 70 13.382 -1.919 6.210 544 1HD LYS 70 HD2 LYS 70 15.207 -1.341 4.625 545 2HD LYS 70 HD1 LYS 70 15.675 -0.005 5.676 546 1HE LYS 70 HE2 LYS 70 16.797 -1.382 7.065 547 2HE LYS 70 HE1 LYS 70 15.434 -2.496 7.166 548 1HZ LYS 70 HZ2 LYS 70 16.649 -2.618 4.608 549 2HZ LYS 70 HZ1 LYS 70 17.806 -2.891 5.821 550 3HZ LYS 70 HZ3 LYS 70 16.415 -3.860 5.743 551 H THR 71 HN THR 71 12.398 2.562 4.971 552 HA THR 71 HA THR 71 13.258 4.118 7.124 553 HB THR 71 HB THR 71 11.781 4.948 4.613 554 HG1 THR 71 HG1 THR 71 14.107 5.749 4.364 555 1HG2 THR 71 HG21 THR 71 12.937 6.568 6.865 556 2HG2 THR 71 HG23 THR 71 12.958 7.204 5.220 557 3HG2 THR 71 HG22 THR 71 11.424 6.803 5.991 558 H ILE 72 HN ILE 72 9.991 3.333 6.151 559 HA ILE 72 HA ILE 72 8.672 5.299 7.829 560 HB ILE 72 HB ILE 72 7.877 2.828 6.342 561 1HG1 ILE 72 HG12 ILE 72 6.855 5.682 6.263 562 2HG1 ILE 72 HG11 ILE 72 8.093 5.038 5.201 563 1HG2 ILE 72 HG21 ILE 72 6.317 4.193 8.510 564 2HG2 ILE 72 HG23 ILE 72 5.479 3.413 7.171 565 3HG2 ILE 72 HG22 ILE 72 6.533 2.471 8.217 566 1HD1 ILE 72 HD13 ILE 72 5.275 3.912 5.394 567 2HD1 ILE 72 HD12 ILE 72 5.813 5.032 4.144 568 3HD1 ILE 72 HD11 ILE 72 6.525 3.422 4.250 569 NH1 ARG 73 NH1 ARG 73 6.398 -1.332 13.487 570 NH2 ARG 73 NH2 ARG 73 8.565 -1.128 14.098 571 H ARG 73 HN ARG 73 9.588 1.882 8.216 572 HA ARG 73 HA ARG 73 8.452 1.785 10.923 573 1HB ARG 73 HB2 ARG 73 9.960 -0.145 9.168 574 2HB ARG 73 HB1 ARG 73 9.728 -0.499 10.875 575 1HG ARG 73 HG2 ARG 73 7.486 0.145 8.933 576 2HG ARG 73 HG1 ARG 73 7.954 -1.487 9.395 577 1HD ARG 73 HD2 ARG 73 6.329 0.466 10.851 578 2HD ARG 73 HD1 ARG 73 6.441 -1.278 11.063 579 HE ARG 73 HE ARG 73 8.548 0.507 12.196 580 1HH1 ARG 73 HH11 ARG 73 5.658 -1.138 12.844 581 2HH1 ARG 73 HH12 ARG 73 6.219 -1.880 14.305 582 1HH2 ARG 73 HH21 ARG 73 9.483 -0.776 13.924 583 2HH2 ARG 73 HH22 ARG 73 8.385 -1.674 14.917 584 H ALA 74 HN ALA 74 11.426 2.686 9.463 585 HA ALA 74 HA ALA 74 13.361 1.999 11.365 586 1HB ALA 74 HB3 ALA 74 13.001 4.257 9.459 587 2HB ALA 74 HB2 ALA 74 14.193 4.487 10.738 588 3HB ALA 74 HB1 ALA 74 14.346 3.129 9.623 589 H ASP 75 HN ASP 75 10.786 4.359 11.579 590 HA ASP 75 HA ASP 75 11.782 5.844 13.813 591 1HB ASP 75 HB2 ASP 75 9.695 6.212 12.213 592 2HB ASP 75 HB1 ASP 75 8.847 5.342 13.491 593 H GLY 76 HN GLY 76 9.141 5.213 15.350 594 1HA GLY 76 HA2 GLY 76 9.989 2.630 16.593 595 2HA GLY 76 HA1 GLY 76 9.755 4.052 17.610 596 H ALA 77 HN ALA 77 7.823 3.958 18.632 597 HA ALA 77 HA ALA 77 5.644 2.295 17.685 598 1HB ALA 77 HB1 ALA 77 5.966 4.286 19.927 599 2HB ALA 77 HB3 ALA 77 4.392 3.579 19.564 600 3HB ALA 77 HB2 ALA 77 5.739 2.541 20.033 601 H MET 78 HN MET 78 6.638 4.652 16.014 602 HA MET 78 HA MET 78 3.954 5.635 15.275 603 1HB MET 78 HB2 MET 78 6.244 7.455 16.086 604 2HB MET 78 HB1 MET 78 4.822 8.004 15.200 605 1HG MET 78 HG2 MET 78 3.427 7.009 17.096 606 2HG MET 78 HG1 MET 78 4.938 6.858 17.995 607 1HE MET 78 HE1 MET 78 3.167 8.271 19.584 608 2HE MET 78 HE3 MET 78 4.898 8.450 19.898 609 3HE MET 78 HE2 MET 78 3.844 9.862 19.921 610 H SER 79 HN SER 79 5.181 3.891 13.776 611 HA SER 79 HA SER 79 7.209 4.692 11.988 612 1HB SER 79 HB2 SER 79 6.344 2.963 10.500 613 2HB SER 79 HB1 SER 79 6.254 2.393 12.163 614 HG SER 79 HG SER 79 4.029 3.725 11.632 615 H ALA 80 HN ALA 80 4.570 4.149 9.971 616 HA ALA 80 HA ALA 80 3.844 6.985 9.722 617 1HB ALA 80 HB1 ALA 80 5.969 6.455 8.294 618 2HB ALA 80 HB3 ALA 80 4.824 5.633 7.235 619 3HB ALA 80 HB2 ALA 80 4.641 7.353 7.563 620 H LEU 81 HN LEU 81 2.054 5.281 10.529 621 HA LEU 81 HA LEU 81 -0.007 4.368 10.082 622 1HB LEU 81 HB2 LEU 81 0.371 5.966 7.529 623 2HB LEU 81 HB1 LEU 81 -1.132 5.420 8.185 624 HG LEU 81 HG LEU 81 0.645 7.079 9.924 625 1HD1 LEU 81 HD13 LEU 81 -0.755 7.985 7.493 626 2HD1 LEU 81 HD12 LEU 81 -1.084 8.932 8.938 627 3HD1 LEU 81 HD11 LEU 81 0.574 8.730 8.375 628 1HD2 LEU 81 HD22 LEU 81 -1.757 5.859 10.375 629 2HD2 LEU 81 HD21 LEU 81 -1.207 7.298 11.229 630 3HD2 LEU 81 HD23 LEU 81 -2.287 7.455 9.845 631 HA PRO 82 HA PRO 82 0.486 0.477 8.137 632 1HB PRO 82 HB2 PRO 82 -1.987 0.469 6.655 633 2HB PRO 82 HB1 PRO 82 -1.584 -0.403 8.133 634 1HG PRO 82 HG2 PRO 82 -3.224 1.973 7.837 635 2HG PRO 82 HG1 PRO 82 -2.942 1.010 9.293 636 1HD PRO 82 HD2 PRO 82 -1.973 3.592 8.817 637 2HD PRO 82 HD1 PRO 82 -1.421 2.509 10.095 638 H VAL 83 HN VAL 83 1.255 -0.476 6.349 639 HA VAL 83 HA VAL 83 1.089 0.924 3.709 640 HB VAL 83 HB VAL 83 3.489 0.107 5.276 641 1HG1 VAL 83 HG12 VAL 83 3.170 -0.623 2.338 642 2HG1 VAL 83 HG11 VAL 83 4.742 -0.319 3.057 643 3HG1 VAL 83 HG13 VAL 83 3.759 -1.646 3.656 644 1HG2 VAL 83 HG22 VAL 83 2.730 2.433 4.248 645 2HG2 VAL 83 HG21 VAL 83 4.429 1.987 4.355 646 3HG2 VAL 83 HG23 VAL 83 3.573 1.796 2.830 647 H LEU 84 HN LEU 84 0.170 -0.505 2.259 648 HA LEU 84 HA LEU 84 0.444 -3.396 2.900 649 1HB LEU 84 HB2 LEU 84 -1.839 -2.078 2.232 650 2HB LEU 84 HB1 LEU 84 -1.303 -2.592 0.655 651 HG LEU 84 HG LEU 84 -2.684 -4.347 1.447 652 1HD1 LEU 84 HD12 LEU 84 -0.240 -4.958 0.641 653 2HD1 LEU 84 HD11 LEU 84 -0.066 -5.525 2.299 654 3HD1 LEU 84 HD13 LEU 84 -1.315 -6.199 1.260 655 1HD2 LEU 84 HD22 LEU 84 -1.943 -3.491 4.010 656 2HD2 LEU 84 HD21 LEU 84 -3.001 -4.846 3.630 657 3HD2 LEU 84 HD23 LEU 84 -1.280 -5.119 3.881 658 H MET 85 HN MET 85 2.242 -4.164 1.996 659 HA MET 85 HA MET 85 3.327 -3.012 -0.443 660 1HB MET 85 HB2 MET 85 4.846 -3.826 1.265 661 2HB MET 85 HB1 MET 85 4.105 -5.423 1.230 662 1HG MET 85 HG2 MET 85 4.977 -4.640 -1.429 663 2HG MET 85 HG1 MET 85 6.304 -4.555 -0.277 664 1HE MET 85 HE3 MET 85 4.095 -6.541 -2.427 665 2HE MET 85 HE2 MET 85 5.794 -6.729 -2.851 666 3HE MET 85 HE1 MET 85 4.855 -8.136 -2.364 667 H VAL 86 HN VAL 86 1.890 -3.493 -2.216 668 HA VAL 86 HA VAL 86 1.081 -6.322 -2.583 669 HB VAL 86 HB VAL 86 -0.689 -5.572 -3.809 670 1HG1 VAL 86 HG11 VAL 86 -0.434 -4.260 -1.554 671 2HG1 VAL 86 HG13 VAL 86 -0.210 -2.878 -2.620 672 3HG1 VAL 86 HG12 VAL 86 -1.703 -3.815 -2.691 673 1HG2 VAL 86 HG23 VAL 86 1.097 -3.334 -4.717 674 2HG2 VAL 86 HG22 VAL 86 0.415 -4.633 -5.691 675 3HG2 VAL 86 HG21 VAL 86 -0.625 -3.355 -5.070 676 H THR 87 HN THR 87 1.360 -7.314 -4.718 677 HA THR 87 HA THR 87 3.387 -6.045 -6.471 678 HB THR 87 HB THR 87 4.846 -7.178 -4.945 679 HG1 THR 87 HG1 THR 87 4.750 -9.214 -6.783 680 1HG2 THR 87 HG22 THR 87 3.135 -8.607 -3.891 681 2HG2 THR 87 HG21 THR 87 3.078 -9.607 -5.343 682 3HG2 THR 87 HG23 THR 87 4.546 -9.552 -4.366 683 H ALA 88 HN ALA 88 3.629 -7.219 -8.532 684 HA ALA 88 HA ALA 88 1.119 -8.649 -9.236 685 1HB ALA 88 HB3 ALA 88 2.894 -6.802 -10.609 686 2HB ALA 88 HB2 ALA 88 2.625 -8.261 -11.563 687 3HB ALA 88 HB1 ALA 88 1.252 -7.292 -11.030 688 H GLU 89 HN GLU 89 4.247 -9.380 -8.339 689 HA GLU 89 HA GLU 89 3.993 -12.087 -9.523 690 1HB GLU 89 HB2 GLU 89 5.417 -10.665 -11.054 691 2HB GLU 89 HB1 GLU 89 6.561 -10.489 -9.723 692 1HG GLU 89 HG2 GLU 89 6.078 -13.228 -9.812 693 2HG GLU 89 HG1 GLU 89 6.138 -12.760 -11.511 694 H ALA 90 HN ALA 90 3.470 -11.681 -6.919 695 HA ALA 90 HA ALA 90 5.593 -11.552 -5.078 696 1HB ALA 90 HB1 ALA 90 2.855 -12.160 -4.963 697 2HB ALA 90 HB3 ALA 90 3.658 -13.574 -4.282 698 3HB ALA 90 HB2 ALA 90 3.953 -11.978 -3.597 699 H LYS 91 HN LYS 91 7.429 -12.629 -5.905 700 HA LYS 91 HA LYS 91 7.317 -15.417 -6.728 701 1HB LYS 91 HB2 LYS 91 9.024 -13.556 -7.410 702 2HB LYS 91 HB1 LYS 91 9.852 -14.006 -5.920 703 1HG LYS 91 HG2 LYS 91 9.788 -16.407 -6.725 704 2HG LYS 91 HG1 LYS 91 9.210 -15.798 -8.276 705 1HD LYS 91 HD2 LYS 91 11.335 -14.174 -7.943 706 2HD LYS 91 HD1 LYS 91 11.908 -15.575 -7.039 707 1HE LYS 91 HE2 LYS 91 10.896 -15.605 -9.899 708 2HE LYS 91 HE1 LYS 91 12.581 -15.742 -9.400 709 1HZ LYS 91 HZ2 LYS 91 12.004 -17.755 -8.174 710 2HZ LYS 91 HZ1 LYS 91 10.397 -17.633 -8.712 711 3HZ LYS 91 HZ3 LYS 91 11.645 -17.912 -9.827 712 H LYS 92 HN LYS 92 9.335 -14.009 -4.133 713 HA LYS 92 HA LYS 92 8.240 -15.590 -2.020 714 1HB LYS 92 HB2 LYS 92 9.942 -17.029 -3.821 715 2HB LYS 92 HB1 LYS 92 10.783 -16.864 -2.280 716 1HG LYS 92 HG2 LYS 92 8.835 -17.766 -1.092 717 2HG LYS 92 HG1 LYS 92 7.950 -17.892 -2.615 718 1HD LYS 92 HD2 LYS 92 9.634 -19.469 -3.475 719 2HD LYS 92 HD1 LYS 92 10.538 -19.334 -1.967 720 1HE LYS 92 HE2 LYS 92 8.998 -20.566 -0.769 721 2HE LYS 92 HE1 LYS 92 7.648 -20.069 -1.790 722 1HZ LYS 92 HZ3 LYS 92 9.819 -21.908 -2.639 723 2HZ LYS 92 HZ2 LYS 92 8.285 -22.408 -2.104 724 3HZ LYS 92 HZ1 LYS 92 8.436 -21.497 -3.531 725 H GLU 93 HN GLU 93 11.678 -15.101 -2.854 726 HA GLU 93 HA GLU 93 12.441 -14.072 -0.368 727 1HB GLU 93 HB2 GLU 93 13.621 -13.208 -3.018 728 2HB GLU 93 HB1 GLU 93 14.433 -13.260 -1.453 729 1HG GLU 93 HG2 GLU 93 13.872 -15.781 -1.456 730 2HG GLU 93 HG1 GLU 93 13.547 -15.572 -3.178 731 H ASN 94 HN ASN 94 11.140 -12.358 -3.195 732 HA ASN 94 HA ASN 94 11.499 -9.724 -2.103 733 1HB ASN 94 HB2 ASN 94 9.726 -10.847 -4.268 734 2HB ASN 94 HB1 ASN 94 9.715 -9.142 -3.837 735 1HD2 ASN 94 HD22 ASN 94 12.316 -8.788 -6.225 736 2HD2 ASN 94 HD21 ASN 94 10.699 -8.434 -5.847 737 H ILE 95 HN ILE 95 8.982 -12.160 -1.767 738 HA ILE 95 HA ILE 95 6.977 -10.391 -0.684 739 HB ILE 95 HB ILE 95 7.416 -13.361 -0.694 740 1HG1 ILE 95 HG12 ILE 95 4.998 -11.672 -1.392 741 2HG1 ILE 95 HG11 ILE 95 6.275 -12.056 -2.546 742 1HG2 ILE 95 HG22 ILE 95 5.601 -11.819 1.164 743 2HG2 ILE 95 HG21 ILE 95 5.186 -13.447 0.635 744 3HG2 ILE 95 HG23 ILE 95 6.671 -13.171 1.544 745 1HD1 ILE 95 HD12 ILE 95 5.380 -14.439 -1.149 746 2HD1 ILE 95 HD11 ILE 95 4.036 -13.635 -1.955 747 3HD1 ILE 95 HD13 ILE 95 5.452 -14.126 -2.882 748 H ILE 96 HN ILE 96 9.153 -12.726 0.949 749 HA ILE 96 HA ILE 96 8.572 -11.767 3.583 750 HB ILE 96 HB ILE 96 11.287 -12.859 3.040 751 1HG1 ILE 96 HG12 ILE 96 8.715 -14.235 2.291 752 2HG1 ILE 96 HG11 ILE 96 10.255 -14.220 1.433 753 1HG2 ILE 96 HG23 ILE 96 10.033 -12.480 5.299 754 2HG2 ILE 96 HG22 ILE 96 9.167 -13.957 4.876 755 3HG2 ILE 96 HG21 ILE 96 10.920 -13.985 5.066 756 1HD1 ILE 96 HD13 ILE 96 11.173 -15.450 3.540 757 2HD1 ILE 96 HD12 ILE 96 9.476 -15.797 3.876 758 3HD1 ILE 96 HD11 ILE 96 10.215 -16.368 2.379 759 H ALA 97 HN ALA 97 10.510 -10.486 1.032 760 HA ALA 97 HA ALA 97 12.449 -9.039 2.521 761 1HB ALA 97 HB2 ALA 97 12.390 -9.287 0.011 762 2HB ALA 97 HB1 ALA 97 11.103 -8.083 -0.014 763 3HB ALA 97 HB3 ALA 97 12.708 -7.647 0.572 764 H ALA 98 HN ALA 98 9.367 -7.765 1.200 765 HA ALA 98 HA ALA 98 9.428 -5.316 2.595 766 1HB ALA 98 HB3 ALA 98 7.693 -6.059 0.859 767 2HB ALA 98 HB2 ALA 98 6.882 -6.889 2.188 768 3HB ALA 98 HB1 ALA 98 7.079 -5.137 2.232 769 H ALA 99 HN ALA 99 7.806 -8.336 3.550 770 HA ALA 99 HA ALA 99 7.018 -7.434 6.091 771 1HB ALA 99 HB2 ALA 99 7.015 -9.912 4.648 772 2HB ALA 99 HB1 ALA 99 7.615 -10.217 6.278 773 3HB ALA 99 HB3 ALA 99 6.039 -9.459 6.046 774 H GLN 100 HN GLN 100 10.156 -8.521 4.921 775 HA GLN 100 HA GLN 100 11.377 -9.298 7.359 776 1HB GLN 100 HB2 GLN 100 12.484 -9.258 5.040 777 2HB GLN 100 HB1 GLN 100 12.738 -7.532 5.301 778 1HG GLN 100 HG2 GLN 100 14.742 -8.538 6.061 779 2HG GLN 100 HG1 GLN 100 13.828 -8.212 7.534 780 1HE2 GLN 100 HE22 GLN 100 12.888 -11.994 6.869 781 2HE2 GLN 100 HE21 GLN 100 12.108 -10.654 6.179 782 H ALA 101 HN ALA 101 10.412 -6.234 6.067 783 HA ALA 101 HA ALA 101 11.554 -4.723 8.344 784 1HB ALA 101 HB1 ALA 101 11.490 -3.819 5.948 785 2HB ALA 101 HB3 ALA 101 9.742 -3.729 6.127 786 3HB ALA 101 HB2 ALA 101 10.780 -2.757 7.163 787 H GLY 102 HN GLY 102 8.733 -6.295 7.228 788 1HA GLY 102 HA2 GLY 102 6.712 -6.787 8.253 789 2HA GLY 102 HA1 GLY 102 7.426 -6.183 9.732 790 H ALA 103 HN ALA 103 5.807 -5.045 6.710 791 HA ALA 103 HA ALA 103 5.248 -2.482 8.107 792 1HB ALA 103 HB2 ALA 103 4.459 -3.611 5.417 793 2HB ALA 103 HB1 ALA 103 4.011 -2.004 5.978 794 3HB ALA 103 HB3 ALA 103 5.680 -2.409 5.722 795 H SER 104 HN SER 104 2.816 -3.275 6.099 796 HA SER 104 HA SER 104 0.924 -3.838 8.321 797 1HB SER 104 HB2 SER 104 -0.799 -3.136 6.913 798 2HB SER 104 HB1 SER 104 0.534 -2.120 6.379 799 HG SER 104 HG SER 104 0.952 -3.822 4.809 800 H GLY 105 HN GLY 105 1.816 -5.040 5.157 801 1HA GLY 105 HA2 GLY 105 2.046 -7.758 5.645 802 2HA GLY 105 HA1 GLY 105 0.331 -7.521 5.354 803 OH TYR 106 OH TYR 106 1.711 -13.116 -2.544 804 H TYR 106 HN TYR 106 0.892 -8.938 3.389 805 HA TYR 106 HA TYR 106 1.572 -7.122 1.132 806 1HB TYR 106 HB2 TYR 106 3.500 -8.197 0.686 807 2HB TYR 106 HB1 TYR 106 3.224 -9.308 2.025 808 HD1 TYR 106 HD1 TYR 106 2.568 -8.738 -1.616 809 HD2 TYR 106 HD2 TYR 106 2.370 -11.521 1.657 810 HE1 TYR 106 HE1 TYR 106 2.100 -10.585 -3.197 811 HE2 TYR 106 HE2 TYR 106 1.901 -13.355 0.070 812 HH TYR 106 HH TYR 106 0.771 -13.107 -2.742 813 H VAL 107 HN VAL 107 0.572 -7.645 -0.812 814 HA VAL 107 HA VAL 107 -1.290 -9.972 -0.804 815 HB VAL 107 HB VAL 107 -2.559 -8.003 0.020 816 1HG1 VAL 107 HG11 VAL 107 -0.975 -6.518 -1.552 817 2HG1 VAL 107 HG13 VAL 107 -2.347 -6.685 -2.639 818 3HG1 VAL 107 HG12 VAL 107 -2.568 -5.967 -1.046 819 1HG2 VAL 107 HG23 VAL 107 -3.176 -9.585 -2.332 820 2HG2 VAL 107 HG22 VAL 107 -4.251 -9.034 -1.052 821 3HG2 VAL 107 HG21 VAL 107 -3.934 -7.999 -2.439 822 H VAL 108 HN VAL 108 -1.116 -11.014 -2.731 823 HA VAL 108 HA VAL 108 0.557 -9.896 -4.811 824 HB VAL 108 HB VAL 108 0.496 -12.319 -4.365 825 1HG1 VAL 108 HG11 VAL 108 -2.194 -12.004 -4.099 826 2HG1 VAL 108 HG13 VAL 108 -2.107 -12.670 -5.729 827 3HG1 VAL 108 HG12 VAL 108 -1.418 -13.564 -4.374 828 1HG2 VAL 108 HG22 VAL 108 0.451 -11.056 -6.857 829 2HG2 VAL 108 HG21 VAL 108 1.011 -12.696 -6.532 830 3HG2 VAL 108 HG23 VAL 108 -0.655 -12.417 -7.039 831 H LYS 109 HN LYS 109 -0.272 -8.251 -6.051 832 HA LYS 109 HA LYS 109 -3.128 -8.122 -6.688 833 1HB LYS 109 HB2 LYS 109 -2.691 -5.911 -7.043 834 2HB LYS 109 HB1 LYS 109 -1.108 -6.261 -6.371 835 1HG LYS 109 HG2 LYS 109 -0.286 -6.787 -8.687 836 2HG LYS 109 HG1 LYS 109 -1.845 -6.257 -9.316 837 1HD LYS 109 HD2 LYS 109 -1.119 -4.137 -9.288 838 2HD LYS 109 HD1 LYS 109 -0.967 -4.234 -7.535 839 1HE LYS 109 HE2 LYS 109 1.193 -3.611 -8.366 840 2HE LYS 109 HE1 LYS 109 1.315 -5.310 -7.913 841 1HZ LYS 109 HZ2 LYS 109 0.666 -5.740 -10.338 842 2HZ LYS 109 HZ1 LYS 109 1.111 -4.122 -10.607 843 3HZ LYS 109 HZ3 LYS 109 2.254 -5.227 -10.016 844 HA PRO 110 HA PRO 110 -4.023 -6.708 -8.703 845 1HB PRO 110 HB2 PRO 110 -5.945 -8.012 -10.375 846 2HB PRO 110 HB1 PRO 110 -5.027 -6.542 -10.728 847 1HG PRO 110 HG2 PRO 110 -4.709 -9.093 -11.964 848 2HG PRO 110 HG1 PRO 110 -3.688 -7.665 -12.190 849 1HD PRO 110 HD2 PRO 110 -3.115 -10.108 -10.679 850 2HD PRO 110 HD1 PRO 110 -2.009 -8.801 -11.150 851 H PHE 111 HN PHE 111 -5.256 -6.875 -6.866 852 HA PHE 111 HA PHE 111 -6.371 -9.530 -6.134 853 1HB PHE 111 HB2 PHE 111 -7.010 -8.118 -4.009 854 2HB PHE 111 HB1 PHE 111 -5.345 -8.642 -4.237 855 HD1 PHE 111 HD1 PHE 111 -7.698 -5.782 -4.730 856 HD2 PHE 111 HD2 PHE 111 -3.614 -7.071 -4.538 857 HE1 PHE 111 HE1 PHE 111 -6.935 -3.424 -4.828 858 HE2 PHE 111 HE2 PHE 111 -2.853 -4.716 -4.611 859 HZ PHE 111 HZ PHE 111 -4.518 -2.888 -4.754 860 H THR 112 HN THR 112 -8.562 -9.713 -5.496 861 HA THR 112 HA THR 112 -10.367 -7.869 -6.952 862 HB THR 112 HB THR 112 -11.398 -10.154 -5.312 863 HG1 THR 112 HG1 THR 112 -10.557 -11.640 -6.571 864 1HG2 THR 112 HG21 THR 112 -12.789 -8.575 -6.748 865 2HG2 THR 112 HG23 THR 112 -12.023 -9.321 -8.151 866 3HG2 THR 112 HG22 THR 112 -13.016 -10.294 -7.066 867 H ALA 113 HN ALA 113 -12.055 -6.737 -5.733 868 HA ALA 113 HA ALA 113 -11.211 -5.500 -3.390 869 1HB ALA 113 HB3 ALA 113 -13.419 -5.228 -4.931 870 2HB ALA 113 HB2 ALA 113 -14.134 -6.049 -3.542 871 3HB ALA 113 HB1 ALA 113 -13.290 -4.516 -3.322 872 H ALA 114 HN ALA 114 -12.767 -8.636 -3.721 873 HA ALA 114 HA ALA 114 -13.356 -8.971 -0.929 874 1HB ALA 114 HB3 ALA 114 -14.069 -10.412 -3.030 875 2HB ALA 114 HB2 ALA 114 -12.589 -11.300 -2.665 876 3HB ALA 114 HB1 ALA 114 -13.870 -11.187 -1.457 877 H THR 115 HN THR 115 -10.459 -9.556 -2.884 878 HA THR 115 HA THR 115 -9.028 -10.880 -0.743 879 HB THR 115 HB THR 115 -7.085 -9.713 -2.335 880 HG1 THR 115 HG1 THR 115 -9.007 -10.604 -4.139 881 1HG2 THR 115 HG22 THR 115 -8.587 -12.326 -2.554 882 2HG2 THR 115 HG21 THR 115 -7.150 -11.969 -3.512 883 3HG2 THR 115 HG23 THR 115 -7.045 -12.030 -1.753 884 H LEU 116 HN LEU 116 -8.417 -7.584 -2.170 885 HA LEU 116 HA LEU 116 -6.895 -6.660 0.011 886 1HB LEU 116 HB2 LEU 116 -7.813 -5.530 -2.279 887 2HB LEU 116 HB1 LEU 116 -8.816 -4.701 -1.092 888 HG LEU 116 HG LEU 116 -6.662 -4.270 0.222 889 1HD1 LEU 116 HD11 LEU 116 -5.589 -5.933 -1.785 890 2HD1 LEU 116 HD13 LEU 116 -4.994 -4.313 -2.144 891 3HD1 LEU 116 HD12 LEU 116 -4.696 -5.032 -0.564 892 1HD2 LEU 116 HD21 LEU 116 -7.859 -2.560 -1.152 893 2HD2 LEU 116 HD23 LEU 116 -6.115 -2.304 -1.112 894 3HD2 LEU 116 HD22 LEU 116 -6.868 -3.022 -2.534 895 H GLU 117 HN GLU 117 -10.445 -6.883 -0.265 896 HA GLU 117 HA GLU 117 -10.945 -5.435 2.164 897 1HB GLU 117 HB2 GLU 117 -12.712 -5.721 0.486 898 2HB GLU 117 HB1 GLU 117 -12.681 -7.468 0.748 899 1HG GLU 117 HG2 GLU 117 -12.971 -5.982 3.245 900 2HG GLU 117 HG1 GLU 117 -14.280 -5.645 2.111 901 H GLU 118 HN GLU 118 -11.494 -8.900 1.556 902 HA GLU 118 HA GLU 118 -11.759 -9.822 4.144 903 1HB GLU 118 HB2 GLU 118 -11.787 -11.201 2.004 904 2HB GLU 118 HB1 GLU 118 -10.027 -11.247 2.108 905 1HG GLU 118 HG2 GLU 118 -10.633 -11.993 4.631 906 2HG GLU 118 HG1 GLU 118 -12.059 -12.611 3.796 907 H LYS 119 HN LYS 119 -8.829 -8.702 2.593 908 HA LYS 119 HA LYS 119 -7.058 -9.677 4.704 909 1HB LYS 119 HB2 LYS 119 -6.534 -9.036 2.189 910 2HB LYS 119 HB1 LYS 119 -6.331 -7.422 2.868 911 1HG LYS 119 HG2 LYS 119 -4.865 -8.682 4.660 912 2HG LYS 119 HG1 LYS 119 -4.741 -9.911 3.400 913 1HD LYS 119 HD2 LYS 119 -4.231 -7.715 1.916 914 2HD LYS 119 HD1 LYS 119 -3.622 -7.157 3.476 915 1HE LYS 119 HE2 LYS 119 -1.808 -8.246 2.285 916 2HE LYS 119 HE1 LYS 119 -2.281 -9.270 3.640 917 1HZ LYS 119 HZ1 LYS 119 -3.589 -9.674 1.046 918 2HZ LYS 119 HZ3 LYS 119 -2.010 -10.257 1.252 919 3HZ LYS 119 HZ2 LYS 119 -3.253 -10.798 2.275 920 H LEU 120 HN LEU 120 -8.497 -6.565 3.774 921 HA LEU 120 HA LEU 120 -7.285 -4.952 5.755 922 1HB LEU 120 HB2 LEU 120 -9.195 -4.559 3.779 923 2HB LEU 120 HB1 LEU 120 -10.101 -4.290 5.268 924 HG LEU 120 HG LEU 120 -8.265 -2.749 6.031 925 1HD1 LEU 120 HD11 LEU 120 -7.019 -3.796 3.648 926 2HD1 LEU 120 HD13 LEU 120 -7.168 -2.044 3.522 927 3HD1 LEU 120 HD12 LEU 120 -6.332 -2.765 4.896 928 1HD2 LEU 120 HD21 LEU 120 -9.622 -2.040 3.411 929 2HD2 LEU 120 HD23 LEU 120 -10.333 -1.874 5.017 930 3HD2 LEU 120 HD22 LEU 120 -8.947 -0.884 4.559 931 H ASN 121 HN ASN 121 -10.634 -6.198 5.934 932 HA ASN 121 HA ASN 121 -11.263 -5.633 8.532 933 1HB ASN 121 HB2 ASN 121 -12.311 -7.309 6.610 934 2HB ASN 121 HB1 ASN 121 -11.913 -8.425 7.917 935 1HD2 ASN 121 HD22 ASN 121 -15.336 -6.799 8.415 936 2HD2 ASN 121 HD21 ASN 121 -14.632 -7.512 7.045 937 H LYS 122 HN LYS 122 -9.505 -8.603 7.604 938 HA LYS 122 HA LYS 122 -9.104 -9.546 10.254 939 1HB LYS 122 HB2 LYS 122 -7.788 -10.033 7.615 940 2HB LYS 122 HB1 LYS 122 -6.963 -10.598 9.069 941 1HG LYS 122 HG2 LYS 122 -9.888 -11.179 8.732 942 2HG LYS 122 HG1 LYS 122 -8.710 -12.161 7.859 943 1HD LYS 122 HD2 LYS 122 -7.828 -13.073 9.791 944 2HD LYS 122 HD1 LYS 122 -8.229 -11.659 10.767 945 1HE LYS 122 HE2 LYS 122 -9.634 -13.717 11.248 946 2HE LYS 122 HE1 LYS 122 -10.554 -12.268 10.841 947 1HZ LYS 122 HZ3 LYS 122 -10.415 -13.151 8.459 948 2HZ LYS 122 HZ2 LYS 122 -10.003 -14.637 9.170 949 3HZ LYS 122 HZ1 LYS 122 -11.496 -13.907 9.525 950 H ILE 123 HN ILE 123 -7.375 -7.103 8.419 951 HA ILE 123 HA ILE 123 -5.180 -7.025 10.394 952 HB ILE 123 HB ILE 123 -5.774 -5.553 7.831 953 1HG1 ILE 123 HG12 ILE 123 -3.316 -7.089 8.720 954 2HG1 ILE 123 HG11 ILE 123 -4.679 -7.857 7.906 955 1HG2 ILE 123 HG22 ILE 123 -3.859 -4.840 10.041 956 2HG2 ILE 123 HG21 ILE 123 -3.439 -4.489 8.365 957 3HG2 ILE 123 HG23 ILE 123 -4.886 -3.778 9.077 958 1HD1 ILE 123 HD12 ILE 123 -3.462 -5.403 6.684 959 2HD1 ILE 123 HD11 ILE 123 -2.635 -6.949 6.498 960 3HD1 ILE 123 HD13 ILE 123 -4.283 -6.752 5.899 961 H PHE 124 HN PHE 124 -7.942 -5.037 9.407 962 HA PHE 124 HA PHE 124 -7.283 -2.882 11.217 963 1HB PHE 124 HB2 PHE 124 -9.534 -3.541 9.383 964 2HB PHE 124 HB1 PHE 124 -9.840 -2.373 10.671 965 HD1 PHE 124 HD2 PHE 124 -7.080 -3.194 8.260 966 HD2 PHE 124 HD1 PHE 124 -9.443 -0.138 10.139 967 HE1 PHE 124 HE2 PHE 124 -5.850 -1.458 6.983 968 HE2 PHE 124 HE1 PHE 124 -8.216 1.592 8.863 969 HZ PHE 124 HZ PHE 124 -6.434 0.936 7.278 970 H GLU 125 HN GLU 125 -9.620 -5.588 11.327 971 HA GLU 125 HA GLU 125 -10.960 -4.892 13.685 972 1HB GLU 125 HB2 GLU 125 -10.066 -7.592 12.640 973 2HB GLU 125 HB1 GLU 125 -11.084 -7.414 14.065 974 1HG GLU 125 HG2 GLU 125 -11.777 -6.206 11.380 975 2HG GLU 125 HG1 GLU 125 -12.352 -7.790 11.904 976 H LYS 126 HN LYS 126 -7.676 -5.818 13.188 977 HA LYS 126 HA LYS 126 -7.222 -6.250 16.085 978 1HB LYS 126 HB2 LYS 126 -5.288 -6.336 13.741 979 2HB LYS 126 HB1 LYS 126 -4.910 -6.792 15.403 980 1HG LYS 126 HG2 LYS 126 -6.986 -8.390 15.130 981 2HG LYS 126 HG1 LYS 126 -6.663 -8.195 13.407 982 1HD LYS 126 HD2 LYS 126 -4.345 -8.948 13.743 983 2HD LYS 126 HD1 LYS 126 -4.643 -9.119 15.473 984 1HE LYS 126 HE2 LYS 126 -4.828 -11.286 14.231 985 2HE LYS 126 HE1 LYS 126 -6.314 -10.838 15.067 986 1HZ LYS 126 HZ3 LYS 126 -5.739 -10.358 12.193 987 2HZ LYS 126 HZ2 LYS 126 -6.751 -11.577 12.808 988 3HZ LYS 126 HZ1 LYS 126 -7.173 -9.942 12.999 989 H LEU 127 HN LEU 127 -6.898 -3.861 13.579 990 HA LEU 127 HA LEU 127 -5.021 -2.154 14.995 991 1HB LEU 127 HB2 LEU 127 -5.495 -2.087 12.480 992 2HB LEU 127 HB1 LEU 127 -7.011 -1.276 12.881 993 HG LEU 127 HG LEU 127 -5.234 0.173 14.366 994 1HD1 LEU 127 HD12 LEU 127 -3.408 -1.216 13.201 995 2HD1 LEU 127 HD11 LEU 127 -3.829 -0.326 11.738 996 3HD1 LEU 127 HD13 LEU 127 -3.224 0.538 13.151 997 1HD2 LEU 127 HD22 LEU 127 -6.260 0.510 11.544 998 2HD2 LEU 127 HD21 LEU 127 -6.859 1.263 13.022 999 3HD2 LEU 127 HD23 LEU 127 -5.315 1.771 12.337 1000 H GLY 128 HN GLY 128 -8.485 -2.655 15.042 1001 1HA GLY 128 HA2 GLY 128 -9.233 -1.754 17.407 1002 2HA GLY 128 HA1 GLY 128 -8.891 -0.202 16.642 1003 H MET 129 HN MET 129 -9.826 -0.742 14.045 1004 HA MET 129 HA MET 129 -12.729 -0.672 14.554 1005 1HB MET 129 HB2 MET 129 -11.878 -0.462 11.761 1006 2HB MET 129 HB1 MET 129 -12.833 0.654 12.731 1007 1HG MET 129 HG2 MET 129 -9.812 0.419 12.730 1008 2HG MET 129 HG1 MET 129 -10.758 1.746 12.066 1009 1HE MET 129 HE1 MET 129 -12.381 3.001 13.193 1010 2HE MET 129 HE3 MET 129 -13.115 2.135 14.549 1011 3HE MET 129 HE2 MET 129 -12.234 3.634 14.831 Start of MODEL 6 Raw file had 1011 H/Q atoms Start of MODEL 6 1 H ALA 2 HN ALA 2 -13.291 -1.108 7.293 2 HA ALA 2 HA ALA 2 -13.018 0.291 9.680 3 1HB ALA 2 HB2 ALA 2 -11.369 -1.343 8.567 4 2HB ALA 2 HB1 ALA 2 -10.735 0.063 7.712 5 3HB ALA 2 HB3 ALA 2 -10.666 -0.003 9.473 6 H ASP 3 HN ASP 3 -13.907 2.403 9.620 7 HA ASP 3 HA ASP 3 -13.825 4.734 9.299 8 1HB ASP 3 HB2 ASP 3 -11.161 4.527 7.948 9 2HB ASP 3 HB1 ASP 3 -11.716 5.688 9.154 10 H LYS 4 HN LYS 4 -14.810 5.874 7.661 11 HA LYS 4 HA LYS 4 -14.782 4.668 4.964 12 1HB LYS 4 HB2 LYS 4 -16.342 7.043 6.008 13 2HB LYS 4 HB1 LYS 4 -16.587 6.246 4.458 14 1HG LYS 4 HG2 LYS 4 -16.701 4.580 6.945 15 2HG LYS 4 HG1 LYS 4 -18.081 5.604 6.554 16 1HD LYS 4 HD2 LYS 4 -16.921 3.928 4.367 17 2HD LYS 4 HD1 LYS 4 -17.894 3.124 5.598 18 1HE LYS 4 HE2 LYS 4 -19.774 4.593 5.154 19 2HE LYS 4 HE1 LYS 4 -18.804 5.564 4.046 20 1HZ LYS 4 HZ2 LYS 4 -18.957 2.703 3.510 21 2HZ LYS 4 HZ1 LYS 4 -20.367 3.608 3.225 22 3HZ LYS 4 HZ3 LYS 4 -18.925 4.012 2.427 23 H GLU 5 HN GLU 5 -12.683 6.666 6.436 24 HA GLU 5 HA GLU 5 -12.065 8.036 3.874 25 1HB GLU 5 HB2 GLU 5 -12.028 9.622 6.435 26 2HB GLU 5 HB1 GLU 5 -12.010 10.211 4.773 27 1HG GLU 5 HG2 GLU 5 -14.325 9.333 4.473 28 2HG GLU 5 HG1 GLU 5 -14.337 8.863 6.174 29 H LEU 6 HN LEU 6 -10.582 5.885 4.964 30 HA LEU 6 HA LEU 6 -8.369 6.993 6.478 31 1HB LEU 6 HB2 LEU 6 -9.045 4.642 6.752 32 2HB LEU 6 HB1 LEU 6 -8.659 4.327 5.067 33 HG LEU 6 HG LEU 6 -6.291 4.875 5.491 34 1HD1 LEU 6 HD13 LEU 6 -7.429 5.615 8.160 35 2HD1 LEU 6 HD12 LEU 6 -5.793 4.959 8.093 36 3HD1 LEU 6 HD11 LEU 6 -6.189 6.432 7.207 37 1HD2 LEU 6 HD21 LEU 6 -7.757 2.760 6.974 38 2HD2 LEU 6 HD23 LEU 6 -6.457 2.617 5.795 39 3HD2 LEU 6 HD22 LEU 6 -6.090 3.043 7.467 40 H LYS 7 HN LYS 7 -6.402 7.717 5.584 41 HA LYS 7 HA LYS 7 -6.504 8.439 2.770 42 1HB LYS 7 HB2 LYS 7 -4.609 8.926 5.037 43 2HB LYS 7 HB1 LYS 7 -4.096 9.268 3.387 44 1HG LYS 7 HG2 LYS 7 -5.685 10.935 3.078 45 2HG LYS 7 HG1 LYS 7 -6.766 10.279 4.303 46 1HD LYS 7 HD2 LYS 7 -4.072 11.535 4.919 47 2HD LYS 7 HD1 LYS 7 -5.601 12.408 4.995 48 1HE LYS 7 HE2 LYS 7 -6.072 10.091 6.490 49 2HE LYS 7 HE1 LYS 7 -4.431 10.562 6.926 50 1HZ LYS 7 HZ1 LYS 7 -6.310 12.747 6.767 51 2HZ LYS 7 HZ3 LYS 7 -6.648 11.624 7.992 52 3HZ LYS 7 HZ2 LYS 7 -5.139 12.401 7.947 53 H PHE 8 HN PHE 8 -5.785 7.245 1.107 54 HA PHE 8 HA PHE 8 -3.750 5.128 1.609 55 1HB PHE 8 HB2 PHE 8 -5.845 5.393 -0.564 56 2HB PHE 8 HB1 PHE 8 -4.616 4.149 -0.526 57 HD1 PHE 8 HD2 PHE 8 -7.493 5.550 1.338 58 HD2 PHE 8 HD1 PHE 8 -4.890 2.197 0.785 59 HE1 PHE 8 HE2 PHE 8 -8.944 4.183 2.797 60 HE2 PHE 8 HE1 PHE 8 -6.346 0.817 2.257 61 HZ PHE 8 HZ PHE 8 -8.376 1.818 3.265 62 H LEU 9 HN LEU 9 -2.002 4.992 0.123 63 HA LEU 9 HA LEU 9 -1.802 7.251 -1.829 64 1HB LEU 9 HB2 LEU 9 -0.270 7.780 -0.034 65 2HB LEU 9 HB1 LEU 9 0.382 6.150 -0.039 66 HG LEU 9 HG LEU 9 1.338 6.475 -2.248 67 1HD1 LEU 9 HD13 LEU 9 -0.295 8.999 -2.159 68 2HD1 LEU 9 HD12 LEU 9 1.140 8.908 -3.178 69 3HD1 LEU 9 HD11 LEU 9 -0.198 7.789 -3.440 70 1HD2 LEU 9 HD22 LEU 9 1.835 8.708 -0.279 71 2HD2 LEU 9 HD21 LEU 9 2.798 7.258 -0.560 72 3HD2 LEU 9 HD23 LEU 9 2.773 8.545 -1.762 73 H VAL 10 HN VAL 10 -2.096 6.228 -3.748 74 HA VAL 10 HA VAL 10 -1.056 3.488 -4.122 75 HB VAL 10 HB VAL 10 -2.219 4.799 -6.470 76 1HG1 VAL 10 HG11 VAL 10 -1.950 2.360 -6.192 77 2HG1 VAL 10 HG13 VAL 10 -3.025 2.403 -4.793 78 3HG1 VAL 10 HG12 VAL 10 -3.648 2.792 -6.396 79 1HG2 VAL 10 HG23 VAL 10 -3.763 4.700 -3.861 80 2HG2 VAL 10 HG22 VAL 10 -3.486 6.107 -4.886 81 3HG2 VAL 10 HG21 VAL 10 -4.541 4.810 -5.438 82 H VAL 11 HN VAL 11 0.806 3.037 -5.230 83 HA VAL 11 HA VAL 11 1.969 5.100 -6.980 84 HB VAL 11 HB VAL 11 3.641 3.546 -4.995 85 1HG1 VAL 11 HG13 VAL 11 4.148 5.794 -6.937 86 2HG1 VAL 11 HG12 VAL 11 5.144 5.635 -5.492 87 3HG1 VAL 11 HG11 VAL 11 5.083 4.324 -6.666 88 1HG2 VAL 11 HG23 VAL 11 2.159 6.129 -4.700 89 2HG2 VAL 11 HG22 VAL 11 2.459 4.866 -3.508 90 3HG2 VAL 11 HG21 VAL 11 3.748 5.983 -3.954 91 H ASP 12 HN ASP 12 0.556 2.717 -7.682 92 HA ASP 12 HA ASP 12 2.481 0.621 -8.309 93 1HB ASP 12 HB2 ASP 12 -0.320 0.847 -8.269 94 2HB ASP 12 HB1 ASP 12 0.095 0.582 -9.962 95 H ASP 13 HN ASP 13 2.853 3.481 -9.325 96 HA ASP 13 HA ASP 13 3.484 4.551 -11.327 97 1HB ASP 13 HB2 ASP 13 4.284 1.753 -12.166 98 2HB ASP 13 HB1 ASP 13 5.013 3.279 -12.668 99 H PHE 14 HN PHE 14 3.439 2.317 -13.694 100 HA PHE 14 HA PHE 14 2.025 2.105 -15.566 101 1HB PHE 14 HB2 PHE 14 0.760 1.051 -13.214 102 2HB PHE 14 HB1 PHE 14 -0.477 1.767 -14.248 103 HD1 PHE 14 HD2 PHE 14 0.048 1.307 -16.898 104 HD2 PHE 14 HD1 PHE 14 1.195 -1.209 -13.608 105 HE1 PHE 14 HE2 PHE 14 0.192 -0.636 -18.431 106 HE2 PHE 14 HE1 PHE 14 1.338 -3.150 -15.143 107 HZ PHE 14 HZ PHE 14 0.837 -2.865 -17.554 108 H SER 15 HN SER 15 -0.574 2.804 -16.071 109 HA SER 15 HA SER 15 -0.841 5.675 -15.319 110 1HB SER 15 HB2 SER 15 0.278 5.027 -17.705 111 2HB SER 15 HB1 SER 15 -1.427 5.000 -18.151 112 HG SER 15 HG SER 15 0.005 7.112 -16.899 113 H THR 16 HN THR 16 -2.186 2.632 -15.818 114 HA THR 16 HA THR 16 -4.953 3.774 -15.718 115 HB THR 16 HB THR 16 -5.446 2.647 -17.606 116 HG1 THR 16 HG1 THR 16 -4.435 0.304 -16.391 117 1HG2 THR 16 HG22 THR 16 -2.673 1.446 -17.379 118 2HG2 THR 16 HG21 THR 16 -3.700 1.372 -18.811 119 3HG2 THR 16 HG23 THR 16 -3.092 2.926 -18.241 120 H MET 17 HN MET 17 -2.571 1.767 -14.334 121 HA MET 17 HA MET 17 -4.210 -0.167 -13.003 122 1HB MET 17 HB2 MET 17 -1.772 -0.414 -13.145 123 2HB MET 17 HB1 MET 17 -1.554 1.039 -12.168 124 1HG MET 17 HG2 MET 17 -2.160 -0.011 -10.220 125 2HG MET 17 HG1 MET 17 -3.299 -1.083 -11.031 126 1HE MET 17 HE3 MET 17 -1.959 -2.226 -8.888 127 2HE MET 17 HE2 MET 17 -2.611 -3.429 -9.999 128 3HE MET 17 HE1 MET 17 -0.975 -3.615 -9.370 129 NH1 ARG 18 NH1 ARG 18 -4.846 6.746 -13.152 130 NH2 ARG 18 NH2 ARG 18 -4.066 8.788 -12.577 131 H ARG 18 HN ARG 18 -2.926 2.978 -11.898 132 HA ARG 18 HA ARG 18 -3.933 3.085 -9.315 133 1HB ARG 18 HB2 ARG 18 -4.546 5.571 -10.665 134 2HB ARG 18 HB1 ARG 18 -3.310 5.239 -9.461 135 1HG ARG 18 HG2 ARG 18 -1.844 4.311 -11.244 136 2HG ARG 18 HG1 ARG 18 -3.079 4.703 -12.440 137 1HD ARG 18 HD2 ARG 18 -2.409 6.982 -10.733 138 2HD ARG 18 HD1 ARG 18 -1.023 6.383 -11.640 139 HE ARG 18 HE ARG 18 -2.064 7.131 -13.627 140 1HH1 ARG 18 HH11 ARG 18 -4.679 5.783 -13.364 141 2HH1 ARG 18 HH12 ARG 18 -5.779 7.107 -13.170 142 1HH2 ARG 18 HH21 ARG 18 -3.301 9.391 -12.349 143 2HH2 ARG 18 HH22 ARG 18 -4.999 9.149 -12.596 144 NH1 ARG 19 NH1 ARG 19 -9.796 0.517 -15.658 145 NH2 ARG 19 NH2 ARG 19 -9.717 1.805 -17.514 146 H ARG 19 HN ARG 19 -5.693 3.831 -12.312 147 HA ARG 19 HA ARG 19 -8.113 4.664 -11.215 148 1HB ARG 19 HB2 ARG 19 -7.574 4.650 -13.648 149 2HB ARG 19 HB1 ARG 19 -7.797 2.900 -13.658 150 1HG ARG 19 HG2 ARG 19 -10.072 4.064 -12.382 151 2HG ARG 19 HG1 ARG 19 -9.795 4.930 -13.894 152 1HD ARG 19 HD2 ARG 19 -10.009 1.919 -13.594 153 2HD ARG 19 HD1 ARG 19 -11.245 2.978 -14.273 154 HE ARG 19 HE ARG 19 -8.968 3.496 -15.790 155 1HH1 ARG 19 HH11 ARG 19 -9.767 0.430 -14.662 156 2HH1 ARG 19 HH12 ARG 19 -9.917 -0.296 -16.228 157 1HH2 ARG 19 HH21 ARG 19 -9.627 2.705 -17.940 158 2HH2 ARG 19 HH22 ARG 19 -9.838 0.993 -18.084 159 H ILE 20 HN ILE 20 -7.174 1.302 -12.001 160 HA ILE 20 HA ILE 20 -9.516 -0.016 -11.239 161 HB ILE 20 HB ILE 20 -6.635 -0.733 -11.332 162 1HG1 ILE 20 HG12 ILE 20 -9.087 -2.272 -12.210 163 2HG1 ILE 20 HG11 ILE 20 -8.381 -0.977 -13.177 164 1HG2 ILE 20 HG21 ILE 20 -8.659 -2.279 -9.688 165 2HG2 ILE 20 HG23 ILE 20 -7.227 -3.033 -10.383 166 3HG2 ILE 20 HG22 ILE 20 -7.048 -1.742 -9.200 167 1HD1 ILE 20 HD13 ILE 20 -6.917 -3.461 -12.236 168 2HD1 ILE 20 HD12 ILE 20 -7.512 -3.184 -13.874 169 3HD1 ILE 20 HD11 ILE 20 -6.226 -2.170 -13.218 170 H VAL 21 HN VAL 21 -6.733 0.641 -9.079 171 HA VAL 21 HA VAL 21 -8.089 -0.272 -6.735 172 HB VAL 21 HB VAL 21 -6.133 1.720 -6.059 173 1HG1 VAL 21 HG12 VAL 21 -6.095 -1.312 -6.061 174 2HG1 VAL 21 HG11 VAL 21 -4.982 -0.278 -5.164 175 3HG1 VAL 21 HG13 VAL 21 -6.698 -0.293 -4.756 176 1HG2 VAL 21 HG23 VAL 21 -5.347 -0.256 -8.229 177 2HG2 VAL 21 HG22 VAL 21 -5.340 1.502 -8.367 178 3HG2 VAL 21 HG21 VAL 21 -4.210 0.699 -7.279 179 NH1 ARG 22 NH1 ARG 22 -8.302 10.399 -6.705 180 NH2 ARG 22 NH2 ARG 22 -10.455 9.752 -6.480 181 H ARG 22 HN ARG 22 -7.813 2.969 -8.171 182 HA ARG 22 HA ARG 22 -8.794 4.569 -6.116 183 1HB ARG 22 HB2 ARG 22 -9.003 4.616 -9.075 184 2HB ARG 22 HB1 ARG 22 -10.146 5.629 -8.204 185 1HG ARG 22 HG2 ARG 22 -7.206 5.673 -7.534 186 2HG ARG 22 HG1 ARG 22 -7.851 6.661 -8.844 187 1HD ARG 22 HD2 ARG 22 -9.389 6.815 -6.327 188 2HD ARG 22 HD1 ARG 22 -7.748 7.452 -6.227 189 HE ARG 22 HE ARG 22 -9.090 8.441 -8.584 190 1HH1 ARG 22 HH11 ARG 22 -7.378 10.231 -7.050 191 2HH1 ARG 22 HH12 ARG 22 -8.497 11.231 -6.186 192 1HH2 ARG 22 HH21 ARG 22 -11.183 9.087 -6.652 193 2HH2 ARG 22 HH22 ARG 22 -10.651 10.583 -5.960 194 H ASN 23 HN ASN 23 -10.836 2.966 -8.574 195 HA ASN 23 HA ASN 23 -13.336 3.498 -7.343 196 1HB ASN 23 HB2 ASN 23 -12.347 2.287 -9.631 197 2HB ASN 23 HB1 ASN 23 -13.112 0.977 -8.774 198 1HD2 ASN 23 HD22 ASN 23 -15.482 4.147 -9.921 199 2HD2 ASN 23 HD21 ASN 23 -13.838 4.415 -9.598 200 H LEU 24 HN LEU 24 -11.407 0.533 -7.444 201 HA LEU 24 HA LEU 24 -12.814 -1.197 -5.862 202 1HB LEU 24 HB2 LEU 24 -10.433 -1.349 -6.919 203 2HB LEU 24 HB1 LEU 24 -9.885 -0.772 -5.358 204 HG LEU 24 HG LEU 24 -11.712 -2.890 -4.824 205 1HD1 LEU 24 HD12 LEU 24 -9.758 -3.532 -7.053 206 2HD1 LEU 24 HD11 LEU 24 -10.510 -4.761 -6.043 207 3HD1 LEU 24 HD13 LEU 24 -11.507 -3.735 -7.071 208 1HD2 LEU 24 HD21 LEU 24 -8.729 -2.533 -4.607 209 2HD2 LEU 24 HD23 LEU 24 -9.934 -2.642 -3.327 210 3HD2 LEU 24 HD22 LEU 24 -9.466 -4.085 -4.222 211 H LEU 25 HN LEU 25 -10.626 1.344 -4.592 212 HA LEU 25 HA LEU 25 -11.204 0.822 -1.821 213 1HB LEU 25 HB2 LEU 25 -10.093 3.163 -3.351 214 2HB LEU 25 HB1 LEU 25 -10.512 3.361 -1.653 215 HG LEU 25 HG LEU 25 -8.683 1.180 -2.707 216 1HD1 LEU 25 HD13 LEU 25 -8.205 4.006 -2.075 217 2HD1 LEU 25 HD12 LEU 25 -7.152 2.904 -1.186 218 3HD1 LEU 25 HD11 LEU 25 -7.188 2.860 -2.949 219 1HD2 LEU 25 HD21 LEU 25 -9.763 1.924 -0.035 220 2HD2 LEU 25 HD23 LEU 25 -9.240 0.354 -0.640 221 3HD2 LEU 25 HD22 LEU 25 -8.049 1.529 -0.089 222 H LYS 26 HN LYS 26 -12.520 3.218 -4.126 223 HA LYS 26 HA LYS 26 -14.369 4.475 -2.476 224 1HB LYS 26 HB2 LYS 26 -13.967 5.063 -4.870 225 2HB LYS 26 HB1 LYS 26 -14.870 3.623 -5.343 226 1HG LYS 26 HG2 LYS 26 -16.821 4.713 -5.087 227 2HG LYS 26 HG1 LYS 26 -16.407 5.125 -3.423 228 1HD LYS 26 HD2 LYS 26 -15.103 7.061 -4.223 229 2HD LYS 26 HD1 LYS 26 -15.517 6.652 -5.889 230 1HE LYS 26 HE2 LYS 26 -17.396 7.528 -3.684 231 2HE LYS 26 HE1 LYS 26 -17.060 8.357 -5.204 232 1HZ LYS 26 HZ3 LYS 26 -18.008 6.439 -6.378 233 2HZ LYS 26 HZ2 LYS 26 -18.406 5.729 -4.886 234 3HZ LYS 26 HZ1 LYS 26 -19.137 7.188 -5.359 235 H GLU 27 HN GLU 27 -14.625 1.320 -4.073 236 HA GLU 27 HA GLU 27 -17.327 0.781 -3.433 237 1HB GLU 27 HB2 GLU 27 -15.549 -0.572 -4.854 238 2HB GLU 27 HB1 GLU 27 -15.291 -1.412 -3.324 239 1HG GLU 27 HG2 GLU 27 -17.963 -1.077 -4.721 240 2HG GLU 27 HG1 GLU 27 -17.009 -2.560 -4.671 241 H LEU 28 HN LEU 28 -14.366 0.493 -1.557 242 HA LEU 28 HA LEU 28 -15.630 -0.863 0.686 243 1HB LEU 28 HB2 LEU 28 -12.960 0.243 0.036 244 2HB LEU 28 HB1 LEU 28 -13.388 0.291 1.744 245 HG LEU 28 HG LEU 28 -13.832 -2.234 0.170 246 1HD1 LEU 28 HD13 LEU 28 -11.225 -1.102 1.151 247 2HD1 LEU 28 HD12 LEU 28 -11.486 -2.846 1.157 248 3HD1 LEU 28 HD11 LEU 28 -11.570 -1.947 -0.358 249 1HD2 LEU 28 HD21 LEU 28 -13.118 -1.624 3.059 250 2HD2 LEU 28 HD23 LEU 28 -14.721 -2.054 2.466 251 3HD2 LEU 28 HD22 LEU 28 -13.413 -3.231 2.400 252 H GLY 29 HN GLY 29 -15.931 2.218 -0.505 253 1HA GLY 29 HA2 GLY 29 -17.209 3.969 0.435 254 2HA GLY 29 HA1 GLY 29 -17.103 3.154 1.988 255 H PHE 30 HN PHE 30 -14.304 3.881 -0.025 256 HA PHE 30 HA PHE 30 -13.319 5.685 2.146 257 1HB PHE 30 HB2 PHE 30 -11.933 3.930 0.120 258 2HB PHE 30 HB1 PHE 30 -11.085 5.294 0.839 259 HD1 PHE 30 HD1 PHE 30 -11.431 5.484 3.488 260 HD2 PHE 30 HD2 PHE 30 -11.743 1.870 1.195 261 HE1 PHE 30 HE1 PHE 30 -10.957 4.149 5.525 262 HE2 PHE 30 HE2 PHE 30 -11.274 0.533 3.231 263 HZ PHE 30 HZ PHE 30 -10.878 1.674 5.393 264 H ASN 31 HN ASN 31 -12.646 7.794 1.618 265 HA ASN 31 HA ASN 31 -12.780 8.620 -1.229 266 1HB ASN 31 HB2 ASN 31 -14.598 9.427 0.972 267 2HB ASN 31 HB1 ASN 31 -14.008 10.731 -0.047 268 1HD2 ASN 31 HD22 ASN 31 -17.055 8.730 -1.453 269 2HD2 ASN 31 HD21 ASN 31 -16.691 9.030 0.178 270 H ASN 32 HN ASN 32 -10.368 8.409 -0.334 271 HA ASN 32 HA ASN 32 -9.325 11.084 -0.144 272 1HB ASN 32 HB2 ASN 32 -10.220 10.486 2.259 273 2HB ASN 32 HB1 ASN 32 -8.755 9.510 2.354 274 1HD2 ASN 32 HD22 ASN 32 -7.815 12.876 3.595 275 2HD2 ASN 32 HD21 ASN 32 -8.821 11.610 4.113 276 H VAL 33 HN VAL 33 -7.971 10.324 -1.838 277 HA VAL 33 HA VAL 33 -5.697 8.679 -0.908 278 HB VAL 33 HB VAL 33 -7.061 6.935 -1.775 279 1HG1 VAL 33 HG11 VAL 33 -7.598 8.753 -4.138 280 2HG1 VAL 33 HG13 VAL 33 -8.188 7.101 -3.965 281 3HG1 VAL 33 HG12 VAL 33 -8.745 8.354 -2.859 282 1HG2 VAL 33 HG21 VAL 33 -4.645 7.299 -2.774 283 2HG2 VAL 33 HG23 VAL 33 -5.701 6.071 -3.467 284 3HG2 VAL 33 HG22 VAL 33 -5.527 7.635 -4.262 285 H GLU 34 HN GLU 34 -3.795 8.970 -2.194 286 HA GLU 34 HA GLU 34 -3.990 11.080 -4.312 287 1HB GLU 34 HB2 GLU 34 -1.821 10.745 -2.221 288 2HB GLU 34 HB1 GLU 34 -1.790 11.917 -3.536 289 1HG GLU 34 HG2 GLU 34 -4.216 12.490 -2.476 290 2HG GLU 34 HG1 GLU 34 -3.382 11.936 -1.026 291 H GLU 35 HN GLU 35 -1.426 10.952 -5.286 292 HA GLU 35 HA GLU 35 -0.824 8.086 -5.726 293 1HB GLU 35 HB2 GLU 35 -1.404 9.979 -8.019 294 2HB GLU 35 HB1 GLU 35 -0.958 8.277 -8.150 295 1HG GLU 35 HG2 GLU 35 -3.026 7.730 -6.795 296 2HG GLU 35 HG1 GLU 35 -3.499 9.421 -6.962 297 H ALA 36 HN ALA 36 1.218 7.734 -6.787 298 HA ALA 36 HA ALA 36 3.019 10.092 -6.993 299 1HB ALA 36 HB3 ALA 36 3.053 8.288 -4.816 300 2HB ALA 36 HB2 ALA 36 4.421 7.844 -5.835 301 3HB ALA 36 HB1 ALA 36 4.278 9.490 -5.220 302 H GLU 37 HN GLU 37 5.346 8.732 -7.606 303 HA GLU 37 HA GLU 37 4.593 6.899 -9.845 304 1HB GLU 37 HB2 GLU 37 6.566 9.189 -10.062 305 2HB GLU 37 HB1 GLU 37 6.128 8.059 -11.344 306 1HG GLU 37 HG2 GLU 37 3.665 8.971 -10.561 307 2HG GLU 37 HG1 GLU 37 4.661 10.409 -10.332 308 H ASP 38 HN ASP 38 6.312 7.183 -7.063 309 HA ASP 38 HA ASP 38 7.821 4.833 -7.416 310 1HB ASP 38 HB2 ASP 38 10.146 6.134 -7.446 311 2HB ASP 38 HB1 ASP 38 9.340 5.679 -8.947 312 H GLY 39 HN GLY 39 9.822 4.897 -5.750 313 1HA GLY 39 HA2 GLY 39 8.688 5.491 -3.190 314 2HA GLY 39 HA1 GLY 39 10.379 5.074 -3.476 315 H VAL 40 HN VAL 40 11.065 7.200 -5.211 316 HA VAL 40 HA VAL 40 11.702 9.258 -3.350 317 HB VAL 40 HB VAL 40 11.513 9.938 -6.248 318 1HG1 VAL 40 HG12 VAL 40 12.575 11.427 -4.558 319 2HG1 VAL 40 HG11 VAL 40 13.736 10.150 -4.194 320 3HG1 VAL 40 HG13 VAL 40 13.718 10.898 -5.791 321 1HG2 VAL 40 HG23 VAL 40 13.158 7.693 -5.083 322 2HG2 VAL 40 HG22 VAL 40 12.209 7.706 -6.570 323 3HG2 VAL 40 HG21 VAL 40 13.729 8.596 -6.485 324 H ASP 41 HN ASP 41 9.087 8.968 -5.729 325 HA ASP 41 HA ASP 41 8.034 11.620 -5.243 326 1HB ASP 41 HB2 ASP 41 7.645 9.992 -7.251 327 2HB ASP 41 HB1 ASP 41 6.388 9.307 -6.230 328 H ALA 42 HN ALA 42 7.136 8.354 -4.140 329 HA ALA 42 HA ALA 42 4.927 9.113 -2.523 330 1HB ALA 42 HB2 ALA 42 5.826 6.747 -3.177 331 2HB ALA 42 HB1 ALA 42 6.807 6.906 -1.720 332 3HB ALA 42 HB3 ALA 42 5.048 6.955 -1.607 333 H LEU 43 HN LEU 43 8.300 8.477 -1.472 334 HA LEU 43 HA LEU 43 8.100 9.230 1.195 335 1HB LEU 43 HB2 LEU 43 10.244 9.144 -0.796 336 2HB LEU 43 HB1 LEU 43 10.507 10.391 0.420 337 HG LEU 43 HG LEU 43 9.737 7.562 1.160 338 1HD1 LEU 43 HD12 LEU 43 12.482 8.777 0.755 339 2HD1 LEU 43 HD11 LEU 43 12.202 7.301 1.678 340 3HD1 LEU 43 HD13 LEU 43 11.814 7.351 -0.040 341 1HD2 LEU 43 HD21 LEU 43 9.838 9.912 2.618 342 2HD2 LEU 43 HD23 LEU 43 9.945 8.291 3.301 343 3HD2 LEU 43 HD22 LEU 43 11.416 9.193 2.937 344 H ASN 44 HN ASN 44 8.663 11.425 -1.575 345 HA ASN 44 HA ASN 44 8.647 13.806 0.049 346 1HB ASN 44 HB2 ASN 44 8.382 13.250 -2.895 347 2HB ASN 44 HB1 ASN 44 8.106 14.877 -2.271 348 1HD2 ASN 44 HD22 ASN 44 11.875 13.612 -2.748 349 2HD2 ASN 44 HD21 ASN 44 10.532 12.808 -3.402 350 H LYS 45 HN LYS 45 6.132 12.046 -1.714 351 HA LYS 45 HA LYS 45 4.125 14.081 -0.978 352 1HB LYS 45 HB2 LYS 45 4.365 12.291 -3.103 353 2HB LYS 45 HB1 LYS 45 3.072 11.610 -2.116 354 1HG LYS 45 HG2 LYS 45 2.013 13.134 -3.623 355 2HG LYS 45 HG1 LYS 45 2.058 13.953 -2.063 356 1HD LYS 45 HD2 LYS 45 4.493 14.633 -3.224 357 2HD LYS 45 HD1 LYS 45 3.362 14.679 -4.577 358 1HE LYS 45 HE2 LYS 45 3.300 16.861 -3.607 359 2HE LYS 45 HE1 LYS 45 1.826 16.056 -3.072 360 1HZ LYS 45 HZ2 LYS 45 4.251 15.855 -1.427 361 2HZ LYS 45 HZ1 LYS 45 3.332 17.282 -1.371 362 3HZ LYS 45 HZ3 LYS 45 2.620 15.800 -0.955 363 H LEU 46 HN LEU 46 5.580 11.860 0.819 364 HA LEU 46 HA LEU 46 3.205 10.533 1.949 365 1HB LEU 46 HB2 LEU 46 5.945 9.950 1.890 366 2HB LEU 46 HB1 LEU 46 5.631 10.387 3.567 367 HG LEU 46 HG LEU 46 5.293 7.987 3.281 368 1HD1 LEU 46 HD11 LEU 46 3.512 9.701 4.458 369 2HD1 LEU 46 HD13 LEU 46 2.459 8.793 3.373 370 3HD1 LEU 46 HD12 LEU 46 3.429 7.945 4.575 371 1HD2 LEU 46 HD22 LEU 46 4.220 8.784 0.770 372 2HD2 LEU 46 HD21 LEU 46 4.443 7.143 1.375 373 3HD2 LEU 46 HD23 LEU 46 2.922 7.988 1.659 374 H GLN 47 HN GLN 47 5.429 13.160 2.778 375 HA GLN 47 HA GLN 47 4.206 13.609 5.390 376 1HB GLN 47 HB2 GLN 47 5.805 15.700 3.945 377 2HB GLN 47 HB1 GLN 47 5.788 15.299 5.663 378 1HG GLN 47 HG2 GLN 47 6.743 12.993 4.865 379 2HG GLN 47 HG1 GLN 47 7.184 13.884 3.409 380 1HE2 GLN 47 HE22 GLN 47 9.959 15.410 4.937 381 2HE2 GLN 47 HE21 GLN 47 9.133 15.022 3.505 382 H ALA 48 HN ALA 48 3.096 14.118 2.314 383 HA ALA 48 HA ALA 48 2.110 16.696 2.131 384 1HB ALA 48 HB2 ALA 48 1.480 14.176 0.968 385 2HB ALA 48 HB1 ALA 48 -0.041 14.925 1.455 386 3HB ALA 48 HB3 ALA 48 1.055 15.780 0.370 387 H GLY 49 HN GLY 49 0.324 13.997 3.681 388 1HA GLY 49 HA2 GLY 49 -0.681 15.911 5.707 389 2HA GLY 49 HA1 GLY 49 -1.884 15.080 4.721 390 H GLY 50 HN GLY 50 0.850 13.146 5.177 391 1HA GLY 50 HA2 GLY 50 1.313 11.355 6.642 392 2HA GLY 50 HA1 GLY 50 0.142 12.036 7.773 393 OH TYR 51 OH TYR 51 -1.113 12.039 -0.426 394 H TYR 51 HN TYR 51 0.598 9.800 5.138 395 HA TYR 51 HA TYR 51 -2.244 9.223 4.822 396 1HB TYR 51 HB2 TYR 51 0.273 7.867 3.833 397 2HB TYR 51 HB1 TYR 51 -1.346 7.297 3.450 398 HD1 TYR 51 HD2 TYR 51 0.745 10.378 3.378 399 HD2 TYR 51 HD1 TYR 51 -2.483 8.182 1.597 400 HE1 TYR 51 HE2 TYR 51 0.594 12.072 1.581 401 HE2 TYR 51 HE1 TYR 51 -2.638 9.878 -0.206 402 HH TYR 51 HH TYR 51 -0.298 12.546 -0.422 403 H GLY 52 HN GLY 52 -3.355 7.478 5.684 404 1HA GLY 52 HA2 GLY 52 -2.025 6.106 7.954 405 2HA GLY 52 HA1 GLY 52 -3.758 6.178 7.681 406 H PHE 53 HN PHE 53 -2.233 5.612 4.772 407 HA PHE 53 HA PHE 53 -1.867 2.719 4.999 408 1HB PHE 53 HB2 PHE 53 -4.472 3.655 4.686 409 2HB PHE 53 HB1 PHE 53 -3.976 3.267 3.044 410 HD1 PHE 53 HD1 PHE 53 -4.346 1.869 6.483 411 HD2 PHE 53 HD2 PHE 53 -3.722 0.999 2.339 412 HE1 PHE 53 HE1 PHE 53 -4.818 -0.509 6.902 413 HE2 PHE 53 HE2 PHE 53 -4.215 -1.362 2.749 414 HZ PHE 53 HZ PHE 53 -4.752 -2.144 5.041 415 H VAL 54 HN VAL 54 -0.692 1.980 3.157 416 HA VAL 54 HA VAL 54 -0.535 3.835 0.829 417 HB VAL 54 HB VAL 54 1.914 2.781 2.274 418 1HG1 VAL 54 HG12 VAL 54 1.440 3.827 -0.409 419 2HG1 VAL 54 HG11 VAL 54 2.604 4.812 0.477 420 3HG1 VAL 54 HG13 VAL 54 2.895 3.088 0.259 421 1HG2 VAL 54 HG23 VAL 54 0.531 5.461 2.193 422 2HG2 VAL 54 HG22 VAL 54 1.140 4.579 3.592 423 3HG2 VAL 54 HG21 VAL 54 2.267 5.358 2.481 424 H ILE 55 HN ILE 55 -0.873 2.688 -0.949 425 HA ILE 55 HA ILE 55 -0.190 -0.225 -0.960 426 HB ILE 55 HB ILE 55 -1.984 1.191 -2.938 427 1HG1 ILE 55 HG12 ILE 55 -2.755 -0.048 -0.276 428 2HG1 ILE 55 HG11 ILE 55 -2.883 1.660 -0.702 429 1HG2 ILE 55 HG21 ILE 55 -0.956 -1.331 -2.925 430 2HG2 ILE 55 HG23 ILE 55 -2.454 -1.589 -2.033 431 3HG2 ILE 55 HG22 ILE 55 -2.503 -0.911 -3.660 432 1HD1 ILE 55 HD13 ILE 55 -4.370 0.923 -2.643 433 2HD1 ILE 55 HD12 ILE 55 -4.424 -0.663 -1.876 434 3HD1 ILE 55 HD11 ILE 55 -5.067 0.746 -1.034 435 H SER 56 HN SER 56 1.388 -0.892 -2.379 436 HA SER 56 HA SER 56 2.034 0.766 -4.736 437 1HB SER 56 HB2 SER 56 4.462 0.820 -4.108 438 2HB SER 56 HB1 SER 56 3.447 1.782 -3.039 439 HG SER 56 HG SER 56 3.392 -0.119 -1.662 440 H ASP 57 HN ASP 57 3.056 -0.463 -6.369 441 HA ASP 57 HA ASP 57 2.575 -3.205 -6.525 442 1HB ASP 57 HB2 ASP 57 4.582 -3.204 -8.170 443 2HB ASP 57 HB1 ASP 57 3.222 -2.145 -8.543 444 CH2 TRP 58 CH2 TRP 58 10.212 -5.904 -0.909 445 H TRP 58 HN TRP 58 5.978 -2.164 -6.341 446 HA TRP 58 HA TRP 58 6.575 -3.352 -3.825 447 1HB TRP 58 HB2 TRP 58 6.089 -5.506 -4.702 448 2HB TRP 58 HB1 TRP 58 6.861 -5.141 -6.242 449 HD1 TRP 58 HD1 TRP 58 9.064 -6.330 -6.482 450 HE1 TRP 58 HE1 TRP 58 10.992 -7.025 -4.920 451 HE3 TRP 58 HE3 TRP 58 7.264 -4.604 -2.015 452 HZ2 TRP 58 HZ2 TRP 58 11.680 -6.876 -2.151 453 HZ3 TRP 58 HZ3 TRP 58 8.578 -4.893 0.058 454 HH2 TRP 58 HH2 TRP 58 10.778 -6.034 0.005 455 H ASN 59 HN ASN 59 8.247 -3.559 -7.002 456 HA ASN 59 HA ASN 59 9.940 -1.292 -6.440 457 1HB ASN 59 HB2 ASN 59 12.019 -2.382 -5.934 458 2HB ASN 59 HB1 ASN 59 10.826 -3.016 -4.802 459 1HD2 ASN 59 HD22 ASN 59 12.563 -5.999 -6.087 460 2HD2 ASN 59 HD21 ASN 59 12.903 -4.692 -5.058 461 H MET 60 HN MET 60 8.542 -1.766 -8.686 462 HA MET 60 HA MET 60 9.809 -3.331 -10.691 463 1HB MET 60 HB2 MET 60 7.627 -1.503 -10.554 464 2HB MET 60 HB1 MET 60 8.649 -1.022 -11.908 465 1HG MET 60 HG2 MET 60 6.991 -2.670 -12.653 466 2HG MET 60 HG1 MET 60 8.612 -3.358 -12.745 467 1HE MET 60 HE2 MET 60 5.469 -2.913 -10.508 468 2HE MET 60 HE1 MET 60 5.144 -3.980 -11.873 469 3HE MET 60 HE3 MET 60 5.075 -4.607 -10.221 470 HA PRO 61 HA PRO 61 12.151 0.691 -11.967 471 1HB PRO 61 HB2 PRO 61 12.512 2.330 -9.629 472 2HB PRO 61 HB1 PRO 61 11.669 2.741 -11.127 473 1HG PRO 61 HG2 PRO 61 10.488 2.250 -8.571 474 2HG PRO 61 HG1 PRO 61 9.647 2.529 -10.101 475 1HD PRO 61 HD2 PRO 61 9.975 0.044 -8.629 476 2HD PRO 61 HD1 PRO 61 8.954 0.362 -10.045 477 H ASN 62 HN ASN 62 12.872 0.712 -8.469 478 HA ASN 62 HA ASN 62 14.866 -1.312 -8.480 479 1HB ASN 62 HB2 ASN 62 16.857 0.376 -8.316 480 2HB ASN 62 HB1 ASN 62 16.269 -0.081 -9.914 481 1HD2 ASN 62 HD22 ASN 62 14.690 3.491 -8.689 482 2HD2 ASN 62 HD21 ASN 62 14.519 2.110 -7.717 483 H MET 63 HN MET 63 16.103 1.541 -7.068 484 HA MET 63 HA MET 63 15.612 0.553 -4.391 485 1HB MET 63 HB2 MET 63 16.617 3.241 -5.378 486 2HB MET 63 HB1 MET 63 16.616 2.735 -3.688 487 1HG MET 63 HG2 MET 63 18.477 1.492 -3.971 488 2HG MET 63 HG1 MET 63 17.817 0.716 -5.410 489 1HE MET 63 HE1 MET 63 20.469 2.769 -4.015 490 2HE MET 63 HE3 MET 63 20.703 4.184 -5.052 491 3HE MET 63 HE2 MET 63 19.275 4.064 -4.026 492 H ASP 64 HN ASP 64 13.183 0.426 -4.764 493 HA ASP 64 HA ASP 64 11.947 2.884 -3.689 494 1HB ASP 64 HB2 ASP 64 11.228 3.506 -5.747 495 2HB ASP 64 HB1 ASP 64 11.611 1.934 -6.449 496 H GLY 65 HN GLY 65 9.700 2.453 -2.959 497 1HA GLY 65 HA2 GLY 65 8.036 1.105 -1.986 498 2HA GLY 65 HA1 GLY 65 8.700 -0.245 -2.846 499 H LEU 66 HN LEU 66 10.982 -0.990 -1.874 500 HA LEU 66 HA LEU 66 10.461 -1.612 0.888 501 1HB LEU 66 HB2 LEU 66 11.791 -3.127 -0.553 502 2HB LEU 66 HB1 LEU 66 13.066 -1.911 -0.636 503 HG LEU 66 HG LEU 66 13.372 -2.033 1.805 504 1HD1 LEU 66 HD11 LEU 66 10.957 -3.792 1.590 505 2HD1 LEU 66 HD13 LEU 66 12.151 -4.166 2.831 506 3HD1 LEU 66 HD12 LEU 66 11.360 -2.590 2.816 507 1HD2 LEU 66 HD22 LEU 66 14.581 -3.622 0.279 508 2HD2 LEU 66 HD21 LEU 66 14.362 -4.242 1.915 509 3HD2 LEU 66 HD23 LEU 66 13.326 -4.816 0.607 510 H GLU 67 HN GLU 67 13.411 0.043 -0.331 511 HA GLU 67 HA GLU 67 14.159 1.269 2.068 512 1HB GLU 67 HB2 GLU 67 14.875 1.528 -0.652 513 2HB GLU 67 HB1 GLU 67 14.470 3.157 -0.109 514 1HG GLU 67 HG2 GLU 67 16.820 2.785 0.341 515 2HG GLU 67 HG1 GLU 67 15.964 2.788 1.883 516 H LEU 68 HN LEU 68 11.654 2.136 -0.190 517 HA LEU 68 HA LEU 68 10.931 4.706 0.898 518 1HB LEU 68 HB2 LEU 68 10.050 4.358 -1.227 519 2HB LEU 68 HB1 LEU 68 9.831 2.652 -0.944 520 HG LEU 68 HG LEU 68 7.815 3.154 0.446 521 1HD1 LEU 68 HD13 LEU 68 8.516 5.963 -0.427 522 2HD1 LEU 68 HD12 LEU 68 6.916 5.510 0.158 523 3HD1 LEU 68 HD11 LEU 68 8.313 5.373 1.220 524 1HD2 LEU 68 HD23 LEU 68 8.141 3.365 -2.379 525 2HD2 LEU 68 HD22 LEU 68 6.692 2.892 -1.486 526 3HD2 LEU 68 HD21 LEU 68 6.965 4.581 -1.890 527 H LEU 69 HN LEU 69 9.923 1.387 1.443 528 HA LEU 69 HA LEU 69 7.925 1.981 3.470 529 1HB LEU 69 HB2 LEU 69 7.767 0.026 2.032 530 2HB LEU 69 HB1 LEU 69 9.351 -0.510 2.561 531 HG LEU 69 HG LEU 69 8.415 -0.757 4.895 532 1HD1 LEU 69 HD11 LEU 69 6.140 0.485 3.605 533 2HD1 LEU 69 HD13 LEU 69 5.693 -1.085 4.272 534 3HD1 LEU 69 HD12 LEU 69 6.397 0.149 5.316 535 1HD2 LEU 69 HD23 LEU 69 8.306 -2.483 2.745 536 2HD2 LEU 69 HD22 LEU 69 7.912 -2.917 4.402 537 3HD2 LEU 69 HD21 LEU 69 6.634 -2.449 3.288 538 H LYS 70 HN LYS 70 11.026 0.182 3.670 539 HA LYS 70 HA LYS 70 11.332 -0.013 6.403 540 1HB LYS 70 HB2 LYS 70 12.987 -0.442 4.276 541 2HB LYS 70 HB1 LYS 70 13.774 0.943 5.034 542 1HG LYS 70 HG2 LYS 70 13.781 -0.253 7.201 543 2HG LYS 70 HG1 LYS 70 13.023 -1.644 6.428 544 1HD LYS 70 HD2 LYS 70 15.554 -0.555 5.246 545 2HD LYS 70 HD1 LYS 70 15.658 -1.530 6.712 546 1HE LYS 70 HE2 LYS 70 14.400 -3.342 5.592 547 2HE LYS 70 HE1 LYS 70 14.319 -2.370 4.123 548 1HZ LYS 70 HZ2 LYS 70 16.928 -2.301 4.620 549 2HZ LYS 70 HZ1 LYS 70 16.555 -3.829 5.263 550 3HZ LYS 70 HZ3 LYS 70 16.198 -3.481 3.641 551 H THR 71 HN THR 71 11.823 2.891 4.438 552 HA THR 71 HA THR 71 12.917 4.477 6.601 553 HB THR 71 HB THR 71 11.656 5.184 3.943 554 HG1 THR 71 HG1 THR 71 14.283 5.568 4.922 555 1HG2 THR 71 HG22 THR 71 12.517 6.933 6.224 556 2HG2 THR 71 HG21 THR 71 12.757 7.492 4.570 557 3HG2 THR 71 HG23 THR 71 11.133 7.110 5.144 558 H ILE 72 HN ILE 72 9.668 3.844 5.368 559 HA ILE 72 HA ILE 72 8.315 5.872 6.874 560 HB ILE 72 HB ILE 72 7.419 3.214 5.740 561 1HG1 ILE 72 HG12 ILE 72 6.529 5.989 4.950 562 2HG1 ILE 72 HG11 ILE 72 8.038 5.324 4.328 563 1HG2 ILE 72 HG22 ILE 72 5.955 5.213 7.434 564 2HG2 ILE 72 HG21 ILE 72 5.083 4.371 6.153 565 3HG2 ILE 72 HG23 ILE 72 5.851 3.452 7.448 566 1HD1 ILE 72 HD11 ILE 72 5.836 3.411 4.101 567 2HD1 ILE 72 HD13 ILE 72 5.497 4.917 3.251 568 3HD1 ILE 72 HD12 ILE 72 6.946 3.995 2.862 569 NH1 ARG 73 NH1 ARG 73 8.847 -1.323 13.864 570 NH2 ARG 73 NH2 ARG 73 9.895 -3.277 13.427 571 H ARG 73 HN ARG 73 9.596 2.734 7.720 572 HA ARG 73 HA ARG 73 8.136 2.692 10.292 573 1HB ARG 73 HB2 ARG 73 8.739 0.627 8.823 574 2HB ARG 73 HB1 ARG 73 10.349 0.796 9.525 575 1HG ARG 73 HG2 ARG 73 9.310 0.737 11.802 576 2HG ARG 73 HG1 ARG 73 7.751 0.419 11.042 577 1HD ARG 73 HD2 ARG 73 8.250 -1.771 10.957 578 2HD ARG 73 HD1 ARG 73 9.633 -1.406 9.924 579 HE ARG 73 HE ARG 73 11.046 -1.404 11.884 580 1HH1 ARG 73 HH11 ARG 73 8.627 -0.382 13.607 581 2HH1 ARG 73 HH12 ARG 73 8.484 -1.708 14.713 582 1HH2 ARG 73 HH21 ARG 73 10.478 -3.834 12.835 583 2HH2 ARG 73 HH22 ARG 73 9.531 -3.662 14.275 584 H ALA 74 HN ALA 74 11.461 3.108 9.095 585 HA ALA 74 HA ALA 74 12.914 3.154 11.458 586 1HB ALA 74 HB3 ALA 74 13.116 4.964 9.043 587 2HB ALA 74 HB2 ALA 74 14.294 4.994 10.356 588 3HB ALA 74 HB1 ALA 74 14.075 3.527 9.401 589 H ASP 75 HN ASP 75 10.558 5.511 10.366 590 HA ASP 75 HA ASP 75 11.264 7.674 12.076 591 1HB ASP 75 HB2 ASP 75 9.162 7.071 10.293 592 2HB ASP 75 HB1 ASP 75 8.395 7.417 11.843 593 H GLY 76 HN GLY 76 10.088 8.335 14.076 594 1HA GLY 76 HA2 GLY 76 9.505 5.956 15.798 595 2HA GLY 76 HA1 GLY 76 10.153 7.482 16.393 596 H ALA 77 HN ALA 77 7.658 7.612 13.988 597 HA ALA 77 HA ALA 77 5.526 7.912 16.013 598 1HB ALA 77 HB1 ALA 77 6.579 10.162 14.297 599 2HB ALA 77 HB3 ALA 77 4.922 10.167 14.903 600 3HB ALA 77 HB2 ALA 77 6.275 10.158 16.034 601 H MET 78 HN MET 78 6.553 6.786 13.104 602 HA MET 78 HA MET 78 3.771 6.739 11.987 603 1HB MET 78 HB2 MET 78 6.332 7.477 10.738 604 2HB MET 78 HB1 MET 78 5.404 6.295 9.817 605 1HG MET 78 HG2 MET 78 4.797 8.602 9.171 606 2HG MET 78 HG1 MET 78 3.429 7.764 9.903 607 1HE MET 78 HE3 MET 78 4.411 10.903 9.436 608 2HE MET 78 HE2 MET 78 4.901 11.743 10.906 609 3HE MET 78 HE1 MET 78 6.012 10.616 10.132 610 H SER 79 HN SER 79 5.633 4.888 13.695 611 HA SER 79 HA SER 79 6.043 2.548 12.030 612 1HB SER 79 HB2 SER 79 7.373 2.859 14.056 613 2HB SER 79 HB1 SER 79 5.915 2.866 15.045 614 HG SER 79 HG SER 79 5.535 0.719 14.311 615 H ALA 80 HN ALA 80 3.264 3.906 12.458 616 HA ALA 80 HA ALA 80 1.786 1.342 12.914 617 1HB ALA 80 HB2 ALA 80 1.640 3.138 14.793 618 2HB ALA 80 HB1 ALA 80 0.640 4.032 13.647 619 3HB ALA 80 HB3 ALA 80 0.137 2.433 14.196 620 H LEU 81 HN LEU 81 2.691 2.486 10.413 621 HA LEU 81 HA LEU 81 0.123 3.387 9.195 622 1HB LEU 81 HB2 LEU 81 2.790 4.327 8.934 623 2HB LEU 81 HB1 LEU 81 2.316 3.634 7.385 624 HG LEU 81 HG LEU 81 0.215 4.970 7.454 625 1HD1 LEU 81 HD11 LEU 81 1.277 5.619 10.135 626 2HD1 LEU 81 HD13 LEU 81 0.682 7.007 9.224 627 3HD1 LEU 81 HD12 LEU 81 -0.383 5.640 9.547 628 1HD2 LEU 81 HD21 LEU 81 2.945 6.040 7.272 629 2HD2 LEU 81 HD23 LEU 81 1.585 6.234 6.165 630 3HD2 LEU 81 HD22 LEU 81 1.726 7.276 7.583 631 HA PRO 82 HA PRO 82 0.475 -0.975 7.772 632 1HB PRO 82 HB2 PRO 82 -2.151 -0.698 6.627 633 2HB PRO 82 HB1 PRO 82 -1.664 -1.678 7.996 634 1HG PRO 82 HG2 PRO 82 -3.210 0.707 8.081 635 2HG PRO 82 HG1 PRO 82 -2.582 -0.194 9.459 636 1HD PRO 82 HD2 PRO 82 -1.698 2.356 8.422 637 2HD PRO 82 HD1 PRO 82 -1.155 1.521 9.891 638 H VAL 83 HN VAL 83 0.835 -1.863 5.761 639 HA VAL 83 HA VAL 83 0.490 -0.103 3.367 640 HB VAL 83 HB VAL 83 2.932 -1.615 4.311 641 1HG1 VAL 83 HG11 VAL 83 2.014 -1.141 1.460 642 2HG1 VAL 83 HG13 VAL 83 3.731 -1.200 1.853 643 3HG1 VAL 83 HG12 VAL 83 2.712 -2.602 2.163 644 1HG2 VAL 83 HG23 VAL 83 2.266 1.065 4.196 645 2HG2 VAL 83 HG22 VAL 83 3.907 0.436 4.231 646 3HG2 VAL 83 HG21 VAL 83 3.154 0.838 2.690 647 H LEU 84 HN LEU 84 -0.543 -1.135 1.759 648 HA LEU 84 HA LEU 84 -0.624 -4.098 1.913 649 1HB LEU 84 HB2 LEU 84 -2.838 -3.099 2.200 650 2HB LEU 84 HB1 LEU 84 -2.651 -2.198 0.702 651 HG LEU 84 HG LEU 84 -2.670 -4.238 -0.601 652 1HD1 LEU 84 HD13 LEU 84 -2.427 -5.560 2.091 653 2HD1 LEU 84 HD12 LEU 84 -3.139 -6.430 0.734 654 3HD1 LEU 84 HD11 LEU 84 -1.479 -5.844 0.631 655 1HD2 LEU 84 HD21 LEU 84 -4.817 -4.047 1.508 656 2HD2 LEU 84 HD23 LEU 84 -4.888 -3.556 -0.184 657 3HD2 LEU 84 HD22 LEU 84 -4.883 -5.266 0.241 658 H MET 85 HN MET 85 1.529 -3.807 0.854 659 HA MET 85 HA MET 85 1.766 -2.752 -1.785 660 1HB MET 85 HB2 MET 85 3.305 -4.907 -0.304 661 2HB MET 85 HB1 MET 85 3.731 -4.402 -1.938 662 1HG MET 85 HG2 MET 85 3.378 -2.061 -0.302 663 2HG MET 85 HG1 MET 85 4.482 -3.170 0.507 664 1HE MET 85 HE3 MET 85 6.402 -1.786 0.469 665 2HE MET 85 HE2 MET 85 7.194 -1.037 -0.916 666 3HE MET 85 HE1 MET 85 5.654 -0.402 -0.343 667 H VAL 86 HN VAL 86 2.125 -4.206 -3.747 668 HA VAL 86 HA VAL 86 0.552 -6.702 -3.649 669 HB VAL 86 HB VAL 86 -1.111 -4.938 -3.988 670 1HG1 VAL 86 HG13 VAL 86 0.514 -3.302 -4.973 671 2HG1 VAL 86 HG12 VAL 86 0.447 -4.217 -6.479 672 3HG1 VAL 86 HG11 VAL 86 -1.004 -3.424 -5.864 673 1HG2 VAL 86 HG21 VAL 86 -0.549 -7.066 -5.872 674 2HG2 VAL 86 HG23 VAL 86 -2.089 -6.508 -5.249 675 3HG2 VAL 86 HG22 VAL 86 -1.382 -5.728 -6.660 676 H THR 87 HN THR 87 1.275 -8.180 -5.162 677 HA THR 87 HA THR 87 2.831 -7.193 -7.480 678 HB THR 87 HB THR 87 4.364 -7.551 -5.401 679 HG1 THR 87 HG1 THR 87 5.896 -7.817 -6.832 680 1HG2 THR 87 HG22 THR 87 3.184 -9.866 -5.082 681 2HG2 THR 87 HG21 THR 87 4.314 -10.407 -6.322 682 3HG2 THR 87 HG23 THR 87 4.921 -9.736 -4.808 683 H ALA 88 HN ALA 88 3.550 -9.153 -8.854 684 HA ALA 88 HA ALA 88 1.310 -11.126 -8.874 685 1HB ALA 88 HB3 ALA 88 2.213 -9.591 -10.916 686 2HB ALA 88 HB2 ALA 88 3.249 -11.003 -11.127 687 3HB ALA 88 HB1 ALA 88 1.495 -11.184 -11.163 688 H GLU 89 HN GLU 89 1.774 -13.252 -8.387 689 HA GLU 89 HA GLU 89 3.065 -15.072 -7.632 690 1HB GLU 89 HB2 GLU 89 4.865 -14.015 -9.839 691 2HB GLU 89 HB1 GLU 89 5.035 -15.594 -9.072 692 1HG GLU 89 HG2 GLU 89 2.410 -14.771 -10.295 693 2HG GLU 89 HG1 GLU 89 3.695 -15.438 -11.301 694 H ALA 90 HN ALA 90 3.375 -13.744 -5.622 695 HA ALA 90 HA ALA 90 5.425 -12.004 -5.013 696 1HB ALA 90 HB3 ALA 90 4.183 -14.229 -3.412 697 2HB ALA 90 HB2 ALA 90 5.471 -13.240 -2.722 698 3HB ALA 90 HB1 ALA 90 3.965 -12.488 -3.245 699 H LYS 91 HN LYS 91 7.618 -12.102 -4.713 700 HA LYS 91 HA LYS 91 9.065 -14.348 -5.825 701 1HB LYS 91 HB2 LYS 91 9.722 -11.815 -5.705 702 2HB LYS 91 HB1 LYS 91 10.343 -12.231 -4.107 703 1HG LYS 91 HG2 LYS 91 11.711 -14.034 -5.133 704 2HG LYS 91 HG1 LYS 91 11.131 -13.544 -6.726 705 1HD LYS 91 HD2 LYS 91 13.093 -12.321 -6.640 706 2HD LYS 91 HD1 LYS 91 11.986 -11.158 -5.911 707 1HE LYS 91 HE2 LYS 91 12.642 -12.445 -3.682 708 2HE LYS 91 HE1 LYS 91 14.086 -12.847 -4.611 709 1HZ LYS 91 HZ3 LYS 91 13.378 -10.104 -4.896 710 2HZ LYS 91 HZ2 LYS 91 13.610 -10.510 -3.264 711 3HZ LYS 91 HZ1 LYS 91 14.846 -10.788 -4.396 712 H LYS 92 HN LYS 92 7.631 -13.886 -2.837 713 HA LYS 92 HA LYS 92 7.688 -15.248 -0.922 714 1HB LYS 92 HB2 LYS 92 8.628 -16.928 -2.804 715 2HB LYS 92 HB1 LYS 92 10.087 -16.768 -1.828 716 1HG LYS 92 HG2 LYS 92 8.786 -17.362 0.196 717 2HG LYS 92 HG1 LYS 92 7.348 -17.567 -0.804 718 1HD LYS 92 HD2 LYS 92 7.989 -19.635 -1.428 719 2HD LYS 92 HD1 LYS 92 9.587 -19.054 -1.900 720 1HE LYS 92 HE2 LYS 92 8.771 -19.611 0.965 721 2HE LYS 92 HE1 LYS 92 9.640 -20.759 -0.052 722 1HZ LYS 92 HZ1 LYS 92 10.968 -18.333 -0.260 723 2HZ LYS 92 HZ3 LYS 92 10.654 -18.558 1.392 724 3HZ LYS 92 HZ2 LYS 92 11.504 -19.744 0.522 725 H GLU 93 HN GLU 93 11.152 -15.204 -1.833 726 HA GLU 93 HA GLU 93 12.120 -14.602 0.720 727 1HB GLU 93 HB2 GLU 93 13.197 -14.054 -2.037 728 2HB GLU 93 HB1 GLU 93 14.085 -13.542 -0.602 729 1HG GLU 93 HG2 GLU 93 13.070 -16.354 -0.698 730 2HG GLU 93 HG1 GLU 93 14.482 -15.946 -1.673 731 H ASN 94 HN ASN 94 10.277 -12.612 -1.317 732 HA ASN 94 HA ASN 94 11.361 -10.088 -0.241 733 1HB ASN 94 HB2 ASN 94 10.708 -9.611 -2.383 734 2HB ASN 94 HB1 ASN 94 9.476 -10.874 -2.395 735 1HD2 ASN 94 HD22 ASN 94 7.038 -8.352 -2.051 736 2HD2 ASN 94 HD21 ASN 94 7.609 -9.677 -2.945 737 H ILE 95 HN ILE 95 8.227 -11.792 -0.220 738 HA ILE 95 HA ILE 95 6.757 -10.127 1.446 739 HB ILE 95 HB ILE 95 6.765 -13.125 1.829 740 1HG1 ILE 95 HG12 ILE 95 6.791 -12.841 -0.556 741 2HG1 ILE 95 HG11 ILE 95 5.106 -13.103 -0.105 742 1HG2 ILE 95 HG21 ILE 95 5.250 -11.164 2.981 743 2HG2 ILE 95 HG23 ILE 95 4.269 -11.565 1.572 744 3HG2 ILE 95 HG22 ILE 95 4.698 -12.820 2.734 745 1HD1 ILE 95 HD11 ILE 95 4.930 -10.534 0.031 746 2HD1 ILE 95 HD13 ILE 95 6.459 -10.509 -0.846 747 3HD1 ILE 95 HD12 ILE 95 5.034 -11.247 -1.577 748 H ILE 96 HN ILE 96 9.070 -12.641 2.529 749 HA ILE 96 HA ILE 96 8.699 -12.217 5.312 750 HB ILE 96 HB ILE 96 11.157 -13.093 3.774 751 1HG1 ILE 96 HG12 ILE 96 9.886 -15.070 5.456 752 2HG1 ILE 96 HG11 ILE 96 8.694 -14.360 4.365 753 1HG2 ILE 96 HG23 ILE 96 10.703 -12.545 6.644 754 2HG2 ILE 96 HG22 ILE 96 11.433 -14.111 6.294 755 3HG2 ILE 96 HG21 ILE 96 12.215 -12.630 5.741 756 1HD1 ILE 96 HD11 ILE 96 10.223 -14.791 2.452 757 2HD1 ILE 96 HD13 ILE 96 11.354 -15.571 3.557 758 3HD1 ILE 96 HD12 ILE 96 9.762 -16.277 3.282 759 H ALA 97 HN ALA 97 11.464 -11.002 3.396 760 HA ALA 97 HA ALA 97 12.460 -9.171 5.251 761 1HB ALA 97 HB1 ALA 97 12.645 -9.539 2.380 762 2HB ALA 97 HB3 ALA 97 12.613 -7.823 2.785 763 3HB ALA 97 HB2 ALA 97 13.842 -8.873 3.490 764 H ALA 98 HN ALA 98 10.181 -8.353 2.639 765 HA ALA 98 HA ALA 98 9.500 -5.768 3.344 766 1HB ALA 98 HB2 ALA 98 8.511 -7.590 1.575 767 2HB ALA 98 HB1 ALA 98 7.175 -7.490 2.718 768 3HB ALA 98 HB3 ALA 98 7.748 -6.038 1.902 769 H ALA 99 HN ALA 99 8.146 -8.759 4.766 770 HA ALA 99 HA ALA 99 6.289 -7.491 6.481 771 1HB ALA 99 HB1 ALA 99 7.447 -10.145 6.180 772 2HB ALA 99 HB3 ALA 99 7.161 -9.743 7.873 773 3HB ALA 99 HB2 ALA 99 5.831 -9.688 6.716 774 H GLN 100 HN GLN 100 9.657 -8.497 7.134 775 HA GLN 100 HA GLN 100 9.791 -7.691 9.830 776 1HB GLN 100 HB2 GLN 100 12.003 -7.389 7.776 777 2HB GLN 100 HB1 GLN 100 12.200 -7.534 9.523 778 1HG GLN 100 HG2 GLN 100 10.842 -9.771 9.191 779 2HG GLN 100 HG1 GLN 100 11.415 -9.632 7.528 780 1HE2 GLN 100 HE22 GLN 100 14.611 -10.832 8.359 781 2HE2 GLN 100 HE21 GLN 100 13.419 -10.592 7.173 782 H ALA 101 HN ALA 101 9.249 -5.780 7.085 783 HA ALA 101 HA ALA 101 10.249 -3.311 8.432 784 1HB ALA 101 HB2 ALA 101 9.581 -4.014 5.583 785 2HB ALA 101 HB1 ALA 101 9.608 -2.329 6.095 786 3HB ALA 101 HB3 ALA 101 11.059 -3.315 6.235 787 H GLY 102 HN GLY 102 7.814 -2.688 6.156 788 1HA GLY 102 HA2 GLY 102 5.709 -2.544 8.230 789 2HA GLY 102 HA1 GLY 102 6.052 -1.140 7.234 790 H ALA 103 HN ALA 103 6.617 -3.678 5.315 791 HA ALA 103 HA ALA 103 4.388 -3.350 3.584 792 1HB ALA 103 HB2 ALA 103 6.818 -4.841 3.646 793 2HB ALA 103 HB1 ALA 103 5.507 -5.928 3.188 794 3HB ALA 103 HB3 ALA 103 5.803 -4.459 2.256 795 H SER 104 HN SER 104 4.098 -4.384 6.530 796 HA SER 104 HA SER 104 3.183 -6.829 7.032 797 1HB SER 104 HB2 SER 104 2.079 -4.184 7.749 798 2HB SER 104 HB1 SER 104 0.994 -5.547 8.004 799 HG SER 104 HG SER 104 2.134 -5.720 9.781 800 H GLY 105 HN GLY 105 1.468 -4.745 4.713 801 1HA GLY 105 HA2 GLY 105 -0.513 -6.957 4.330 802 2HA GLY 105 HA1 GLY 105 -0.778 -5.286 3.855 803 OH TYR 106 OH TYR 106 1.806 -13.329 -2.547 804 H TYR 106 HN TYR 106 -0.355 -8.175 2.511 805 HA TYR 106 HA TYR 106 0.837 -7.011 0.066 806 1HB TYR 106 HB2 TYR 106 2.823 -8.030 0.404 807 2HB TYR 106 HB1 TYR 106 2.192 -8.969 1.756 808 HD1 TYR 106 HD1 TYR 106 1.952 -8.807 -2.020 809 HD2 TYR 106 HD2 TYR 106 1.934 -11.278 1.501 810 HE1 TYR 106 HE1 TYR 106 1.864 -10.840 -3.426 811 HE2 TYR 106 HE2 TYR 106 1.847 -13.297 0.090 812 HH TYR 106 HH TYR 106 2.540 -13.895 -2.295 813 H VAL 107 HN VAL 107 -0.612 -7.465 -1.479 814 HA VAL 107 HA VAL 107 -2.116 -10.051 -1.329 815 HB VAL 107 HB VAL 107 -3.710 -8.284 -1.231 816 1HG1 VAL 107 HG11 VAL 107 -1.714 -6.946 -2.953 817 2HG1 VAL 107 HG13 VAL 107 -3.394 -6.593 -3.348 818 3HG1 VAL 107 HG12 VAL 107 -2.784 -6.263 -1.730 819 1HG2 VAL 107 HG22 VAL 107 -3.954 -10.066 -3.108 820 2HG2 VAL 107 HG21 VAL 107 -4.963 -8.624 -3.212 821 3HG2 VAL 107 HG23 VAL 107 -3.515 -8.760 -4.207 822 H VAL 108 HN VAL 108 -2.116 -11.343 -3.197 823 HA VAL 108 HA VAL 108 -0.009 -10.655 -5.140 824 HB VAL 108 HB VAL 108 -1.508 -13.086 -5.743 825 1HG1 VAL 108 HG13 VAL 108 0.826 -12.514 -6.449 826 2HG1 VAL 108 HG12 VAL 108 1.335 -12.685 -4.769 827 3HG1 VAL 108 HG11 VAL 108 0.705 -14.080 -5.646 828 1HG2 VAL 108 HG23 VAL 108 -0.427 -12.725 -2.934 829 2HG2 VAL 108 HG22 VAL 108 -2.077 -13.143 -3.395 830 3HG2 VAL 108 HG21 VAL 108 -0.768 -14.297 -3.654 831 H LYS 109 HN LYS 109 -0.795 -9.242 -6.750 832 HA LYS 109 HA LYS 109 -3.555 -9.102 -7.500 833 1HB LYS 109 HB2 LYS 109 -2.860 -7.244 -8.582 834 2HB LYS 109 HB1 LYS 109 -1.248 -7.618 -8.001 835 1HG LYS 109 HG2 LYS 109 -0.854 -9.000 -10.049 836 2HG LYS 109 HG1 LYS 109 -2.432 -8.485 -10.657 837 1HD LYS 109 HD2 LYS 109 -1.740 -6.170 -10.669 838 2HD LYS 109 HD1 LYS 109 -0.221 -6.574 -9.868 839 1HE LYS 109 HE2 LYS 109 -0.622 -8.166 -12.275 840 2HE LYS 109 HE1 LYS 109 -0.640 -6.436 -12.625 841 1HZ LYS 109 HZ1 LYS 109 1.458 -7.828 -11.050 842 2HZ LYS 109 HZ3 LYS 109 1.603 -7.394 -12.684 843 3HZ LYS 109 HZ2 LYS 109 1.451 -6.188 -11.496 844 HA PRO 110 HA PRO 110 -4.531 -8.419 -9.647 845 1HB PRO 110 HB2 PRO 110 -6.718 -9.928 -10.717 846 2HB PRO 110 HB1 PRO 110 -5.699 -8.759 -11.567 847 1HG PRO 110 HG2 PRO 110 -5.754 -11.574 -11.983 848 2HG PRO 110 HG1 PRO 110 -4.596 -10.425 -12.668 849 1HD PRO 110 HD2 PRO 110 -4.210 -12.348 -10.476 850 2HD PRO 110 HD1 PRO 110 -2.991 -11.460 -11.415 851 H PHE 111 HN PHE 111 -6.653 -7.949 -8.553 852 HA PHE 111 HA PHE 111 -7.710 -10.128 -6.842 853 1HB PHE 111 HB2 PHE 111 -7.718 -8.550 -4.864 854 2HB PHE 111 HB1 PHE 111 -6.135 -9.136 -5.331 855 HD1 PHE 111 HD1 PHE 111 -8.502 -6.256 -5.687 856 HD2 PHE 111 HD2 PHE 111 -4.458 -7.639 -5.989 857 HE1 PHE 111 HE1 PHE 111 -7.705 -3.944 -6.089 858 HE2 PHE 111 HE2 PHE 111 -3.673 -5.332 -6.395 859 HZ PHE 111 HZ PHE 111 -5.306 -3.475 -6.438 860 H THR 112 HN THR 112 -9.760 -9.713 -6.056 861 HA THR 112 HA THR 112 -11.272 -7.638 -7.570 862 HB THR 112 HB THR 112 -12.691 -9.625 -5.867 863 HG1 THR 112 HG1 THR 112 -11.506 -11.161 -6.693 864 1HG2 THR 112 HG22 THR 112 -13.776 -7.938 -7.398 865 2HG2 THR 112 HG21 THR 112 -13.072 -8.813 -8.758 866 3HG2 THR 112 HG23 THR 112 -14.246 -9.609 -7.709 867 H ALA 113 HN ALA 113 -12.634 -6.160 -6.348 868 HA ALA 113 HA ALA 113 -11.569 -5.112 -3.993 869 1HB ALA 113 HB3 ALA 113 -13.520 -4.215 -5.482 870 2HB ALA 113 HB2 ALA 113 -14.559 -5.152 -4.411 871 3HB ALA 113 HB1 ALA 113 -13.560 -3.856 -3.755 872 H ALA 114 HN ALA 114 -13.913 -7.747 -4.335 873 HA ALA 114 HA ALA 114 -14.373 -8.022 -1.507 874 1HB ALA 114 HB3 ALA 114 -15.788 -9.049 -3.367 875 2HB ALA 114 HB2 ALA 114 -14.505 -10.242 -3.569 876 3HB ALA 114 HB1 ALA 114 -15.385 -10.144 -2.044 877 H THR 115 HN THR 115 -11.944 -9.208 -3.748 878 HA THR 115 HA THR 115 -10.709 -11.014 -1.838 879 HB THR 115 HB THR 115 -9.561 -9.730 -4.319 880 HG1 THR 115 HG1 THR 115 -10.022 -11.983 -5.056 881 1HG2 THR 115 HG23 THR 115 -8.350 -11.300 -2.270 882 2HG2 THR 115 HG22 THR 115 -8.461 -12.294 -3.721 883 3HG2 THR 115 HG21 THR 115 -7.628 -10.742 -3.779 884 H LEU 116 HN LEU 116 -9.349 -7.932 -3.271 885 HA LEU 116 HA LEU 116 -7.401 -7.468 -1.345 886 1HB LEU 116 HB2 LEU 116 -8.341 -5.985 -3.365 887 2HB LEU 116 HB1 LEU 116 -9.145 -5.149 -2.045 888 HG LEU 116 HG LEU 116 -6.914 -5.003 -0.875 889 1HD1 LEU 116 HD11 LEU 116 -6.104 -6.434 -3.338 890 2HD1 LEU 116 HD13 LEU 116 -5.076 -5.079 -2.882 891 3HD1 LEU 116 HD12 LEU 116 -5.344 -6.403 -1.750 892 1HD2 LEU 116 HD23 LEU 116 -7.944 -3.145 -2.222 893 2HD2 LEU 116 HD22 LEU 116 -6.185 -3.080 -2.139 894 3HD2 LEU 116 HD21 LEU 116 -6.977 -3.680 -3.595 895 H GLU 117 HN GLU 117 -10.901 -6.910 -1.023 896 HA GLU 117 HA GLU 117 -10.890 -5.528 1.429 897 1HB GLU 117 HB2 GLU 117 -12.977 -5.664 0.363 898 2HB GLU 117 HB1 GLU 117 -12.832 -7.397 0.109 899 1HG GLU 117 HG2 GLU 117 -14.500 -6.780 1.873 900 2HG GLU 117 HG1 GLU 117 -13.232 -7.840 2.471 901 H GLU 118 HN GLU 118 -11.538 -9.014 1.070 902 HA GLU 118 HA GLU 118 -11.423 -9.836 3.691 903 1HB GLU 118 HB2 GLU 118 -11.131 -11.092 1.160 904 2HB GLU 118 HB1 GLU 118 -9.839 -11.701 2.194 905 1HG GLU 118 HG2 GLU 118 -11.533 -12.174 3.965 906 2HG GLU 118 HG1 GLU 118 -12.799 -11.679 2.841 907 H LYS 119 HN LYS 119 -8.519 -9.589 1.595 908 HA LYS 119 HA LYS 119 -6.632 -10.225 3.608 909 1HB LYS 119 HB2 LYS 119 -6.342 -8.363 1.229 910 2HB LYS 119 HB1 LYS 119 -4.998 -8.985 2.188 911 1HG LYS 119 HG2 LYS 119 -6.958 -10.960 1.098 912 2HG LYS 119 HG1 LYS 119 -5.816 -10.232 -0.031 913 1HD LYS 119 HD2 LYS 119 -4.855 -11.363 2.592 914 2HD LYS 119 HD1 LYS 119 -5.126 -12.424 1.210 915 1HE LYS 119 HE2 LYS 119 -3.592 -9.973 0.595 916 2HE LYS 119 HE1 LYS 119 -2.783 -11.097 1.686 917 1HZ LYS 119 HZ1 LYS 119 -3.357 -12.876 0.046 918 2HZ LYS 119 HZ3 LYS 119 -3.832 -11.652 -1.029 919 3HZ LYS 119 HZ2 LYS 119 -2.221 -11.737 -0.498 920 H LEU 120 HN LEU 120 -7.731 -6.978 2.555 921 HA LEU 120 HA LEU 120 -6.260 -5.476 4.436 922 1HB LEU 120 HB2 LEU 120 -7.633 -4.522 2.559 923 2HB LEU 120 HB1 LEU 120 -9.082 -4.869 3.500 924 HG LEU 120 HG LEU 120 -7.208 -3.499 5.183 925 1HD1 LEU 120 HD13 LEU 120 -7.775 -2.185 2.512 926 2HD1 LEU 120 HD12 LEU 120 -7.202 -1.314 3.934 927 3HD1 LEU 120 HD11 LEU 120 -6.193 -2.559 3.196 928 1HD2 LEU 120 HD22 LEU 120 -9.873 -2.710 3.969 929 2HD2 LEU 120 HD21 LEU 120 -9.629 -3.527 5.513 930 3HD2 LEU 120 HD23 LEU 120 -9.088 -1.862 5.300 931 H ASN 121 HN ASN 121 -9.697 -6.420 4.750 932 HA ASN 121 HA ASN 121 -10.083 -5.674 7.413 933 1HB ASN 121 HB2 ASN 121 -11.351 -7.524 5.541 934 2HB ASN 121 HB1 ASN 121 -11.480 -8.073 7.213 935 1HD2 ASN 121 HD22 ASN 121 -14.284 -5.912 7.441 936 2HD2 ASN 121 HD21 ASN 121 -13.745 -7.523 7.430 937 H LYS 122 HN LYS 122 -8.535 -8.598 6.167 938 HA LYS 122 HA LYS 122 -8.324 -9.981 8.660 939 1HB LYS 122 HB2 LYS 122 -7.132 -10.188 5.975 940 2HB LYS 122 HB1 LYS 122 -6.079 -10.759 7.269 941 1HG LYS 122 HG2 LYS 122 -8.973 -11.606 7.110 942 2HG LYS 122 HG1 LYS 122 -7.711 -12.471 6.232 943 1HD LYS 122 HD2 LYS 122 -7.064 -11.915 9.057 944 2HD LYS 122 HD1 LYS 122 -8.430 -13.007 8.822 945 1HE LYS 122 HE2 LYS 122 -5.784 -13.355 7.396 946 2HE LYS 122 HE1 LYS 122 -6.153 -14.134 8.933 947 1HZ LYS 122 HZ1 LYS 122 -8.097 -14.391 6.764 948 2HZ LYS 122 HZ3 LYS 122 -6.666 -15.294 6.649 949 3HZ LYS 122 HZ2 LYS 122 -7.689 -15.493 7.990 950 H ILE 123 HN ILE 123 -6.463 -7.373 7.242 951 HA ILE 123 HA ILE 123 -4.253 -7.623 9.143 952 HB ILE 123 HB ILE 123 -5.049 -5.645 7.028 953 1HG1 ILE 123 HG12 ILE 123 -2.461 -7.135 7.569 954 2HG1 ILE 123 HG11 ILE 123 -3.751 -7.755 6.542 955 1HG2 ILE 123 HG22 ILE 123 -3.126 -5.223 9.314 956 2HG2 ILE 123 HG21 ILE 123 -2.841 -4.448 7.758 957 3HG2 ILE 123 HG23 ILE 123 -4.319 -4.104 8.654 958 1HD1 ILE 123 HD11 ILE 123 -3.321 -5.154 5.602 959 2HD1 ILE 123 HD13 ILE 123 -1.706 -5.771 5.941 960 3HD1 ILE 123 HD12 ILE 123 -2.770 -6.644 4.839 961 H PHE 124 HN PHE 124 -6.961 -5.326 8.703 962 HA PHE 124 HA PHE 124 -6.400 -3.669 10.902 963 1HB PHE 124 HB2 PHE 124 -8.891 -4.399 9.420 964 2HB PHE 124 HB1 PHE 124 -9.029 -3.463 10.908 965 HD1 PHE 124 HD1 PHE 124 -7.725 -3.499 7.468 966 HD2 PHE 124 HD2 PHE 124 -8.067 -1.218 11.091 967 HE1 PHE 124 HE1 PHE 124 -6.990 -1.457 6.260 968 HE2 PHE 124 HE2 PHE 124 -7.339 0.821 9.874 969 HZ PHE 124 HZ PHE 124 -6.808 0.687 7.459 970 H GLU 125 HN GLU 125 -7.071 -6.957 11.009 971 HA GLU 125 HA GLU 125 -8.610 -7.029 13.465 972 1HB GLU 125 HB2 GLU 125 -7.372 -8.950 11.658 973 2HB GLU 125 HB1 GLU 125 -7.082 -9.383 13.343 974 1HG GLU 125 HG2 GLU 125 -9.434 -9.377 13.836 975 2HG GLU 125 HG1 GLU 125 -9.819 -8.652 12.275 976 H LYS 126 HN LYS 126 -5.247 -6.698 12.626 977 HA LYS 126 HA LYS 126 -4.367 -7.080 15.420 978 1HB LYS 126 HB2 LYS 126 -2.191 -7.116 14.587 979 2HB LYS 126 HB1 LYS 126 -3.080 -7.716 13.189 980 1HG LYS 126 HG2 LYS 126 -3.247 -5.234 12.475 981 2HG LYS 126 HG1 LYS 126 -1.965 -4.951 13.654 982 1HD LYS 126 HD2 LYS 126 -0.736 -6.904 12.468 983 2HD LYS 126 HD1 LYS 126 -1.881 -6.631 11.154 984 1HE LYS 126 HE2 LYS 126 -1.089 -4.075 11.664 985 2HE LYS 126 HE1 LYS 126 0.386 -4.957 12.060 986 1HZ LYS 126 HZ1 LYS 126 -0.157 -6.166 9.830 987 2HZ LYS 126 HZ3 LYS 126 -1.025 -4.747 9.498 988 3HZ LYS 126 HZ2 LYS 126 0.640 -4.666 9.824 989 H LEU 127 HN LEU 127 -5.179 -4.557 13.161 990 HA LEU 127 HA LEU 127 -3.941 -2.414 14.720 991 1HB LEU 127 HB2 LEU 127 -4.733 -2.579 12.123 992 2HB LEU 127 HB1 LEU 127 -6.138 -1.768 12.820 993 HG LEU 127 HG LEU 127 -3.254 -0.860 13.100 994 1HD1 LEU 127 HD13 LEU 127 -4.798 -0.594 10.889 995 2HD1 LEU 127 HD12 LEU 127 -5.332 0.818 11.800 996 3HD1 LEU 127 HD11 LEU 127 -3.627 0.623 11.395 997 1HD2 LEU 127 HD21 LEU 127 -5.873 0.108 14.238 998 2HD2 LEU 127 HD23 LEU 127 -4.331 -0.128 15.062 999 3HD2 LEU 127 HD22 LEU 127 -4.546 1.236 13.966 1000 H GLY 128 HN GLY 128 -7.004 -4.087 14.617 1001 1HA GLY 128 HA2 GLY 128 -8.947 -3.837 15.911 1002 2HA GLY 128 HA1 GLY 128 -7.864 -3.206 17.152 1003 H MET 129 HN MET 129 -9.796 -2.276 14.329 1004 HA MET 129 HA MET 129 -9.478 0.584 14.998 1005 1HB MET 129 HB2 MET 129 -11.298 0.609 13.019 1006 2HB MET 129 HB1 MET 129 -9.571 0.457 12.700 1007 1HG MET 129 HG2 MET 129 -10.979 -1.253 11.503 1008 2HG MET 129 HG1 MET 129 -9.745 -1.953 12.550 1009 1HE MET 129 HE2 MET 129 -12.060 -3.523 11.412 1010 2HE MET 129 HE1 MET 129 -11.001 -4.294 12.590 1011 3HE MET 129 HE3 MET 129 -12.758 -4.413 12.761 Start of MODEL 7 Raw file had 1011 H/Q atoms Start of MODEL 7 1 H ALA 2 HN ALA 2 -15.166 1.391 8.170 2 HA ALA 2 HA ALA 2 -13.427 1.744 10.347 3 1HB ALA 2 HB3 ALA 2 -12.281 0.117 8.116 4 2HB ALA 2 HB2 ALA 2 -11.242 1.347 8.836 5 3HB ALA 2 HB1 ALA 2 -11.924 0.070 9.843 6 H ASP 3 HN ASP 3 -14.641 3.763 9.639 7 HA ASP 3 HA ASP 3 -14.679 5.868 8.578 8 1HB ASP 3 HB2 ASP 3 -12.264 5.621 9.666 9 2HB ASP 3 HB1 ASP 3 -11.748 5.559 7.983 10 H LYS 4 HN LYS 4 -15.854 5.382 6.657 11 HA LYS 4 HA LYS 4 -14.598 3.994 4.468 12 1HB LYS 4 HB2 LYS 4 -16.618 4.759 3.156 13 2HB LYS 4 HB1 LYS 4 -16.987 3.853 4.619 14 1HG LYS 4 HG2 LYS 4 -17.694 5.769 5.775 15 2HG LYS 4 HG1 LYS 4 -16.831 6.856 4.686 16 1HD LYS 4 HD2 LYS 4 -18.922 5.119 3.470 17 2HD LYS 4 HD1 LYS 4 -19.481 6.451 4.483 18 1HE LYS 4 HE2 LYS 4 -18.172 8.041 3.147 19 2HE LYS 4 HE1 LYS 4 -17.553 6.719 2.157 20 1HZ LYS 4 HZ1 LYS 4 -19.918 6.199 1.617 21 2HZ LYS 4 HZ3 LYS 4 -20.360 7.651 2.375 22 3HZ LYS 4 HZ2 LYS 4 -19.360 7.681 1.000 23 H GLU 5 HN GLU 5 -13.099 6.274 5.376 24 HA GLU 5 HA GLU 5 -12.720 7.604 2.779 25 1HB GLU 5 HB2 GLU 5 -13.245 9.128 5.354 26 2HB GLU 5 HB1 GLU 5 -12.652 9.857 3.862 27 1HG GLU 5 HG2 GLU 5 -14.745 8.787 2.760 28 2HG GLU 5 HG1 GLU 5 -15.345 8.626 4.410 29 H LEU 6 HN LEU 6 -11.271 5.639 4.434 30 HA LEU 6 HA LEU 6 -9.174 6.949 5.857 31 1HB LEU 6 HB2 LEU 6 -9.792 4.576 6.166 32 2HB LEU 6 HB1 LEU 6 -9.199 4.209 4.559 33 HG LEU 6 HG LEU 6 -6.919 4.724 5.203 34 1HD1 LEU 6 HD11 LEU 6 -8.268 5.822 7.664 35 2HD1 LEU 6 HD13 LEU 6 -6.612 5.232 7.758 36 3HD1 LEU 6 HD12 LEU 6 -7.012 6.560 6.668 37 1HD2 LEU 6 HD21 LEU 6 -8.434 3.044 7.211 38 2HD2 LEU 6 HD23 LEU 6 -7.554 2.499 5.784 39 3HD2 LEU 6 HD22 LEU 6 -6.677 3.143 7.175 40 H LYS 7 HN LYS 7 -7.101 7.613 5.152 41 HA LYS 7 HA LYS 7 -6.968 8.330 2.331 42 1HB LYS 7 HB2 LYS 7 -5.327 8.903 4.764 43 2HB LYS 7 HB1 LYS 7 -4.630 9.197 3.174 44 1HG LYS 7 HG2 LYS 7 -6.129 10.877 2.665 45 2HG LYS 7 HG1 LYS 7 -7.400 10.192 3.678 46 1HD LYS 7 HD2 LYS 7 -6.357 10.978 5.683 47 2HD LYS 7 HD1 LYS 7 -4.872 11.393 4.826 48 1HE LYS 7 HE2 LYS 7 -7.257 12.688 3.706 49 2HE LYS 7 HE1 LYS 7 -6.927 13.153 5.375 50 1HZ LYS 7 HZ3 LYS 7 -4.546 13.054 3.814 51 2HZ LYS 7 HZ2 LYS 7 -5.683 14.120 3.136 52 3HZ LYS 7 HZ1 LYS 7 -5.172 14.329 4.742 53 H PHE 8 HN PHE 8 -6.077 7.153 0.758 54 HA PHE 8 HA PHE 8 -4.035 5.112 1.455 55 1HB PHE 8 HB2 PHE 8 -5.945 5.241 -0.890 56 2HB PHE 8 HB1 PHE 8 -4.709 4.018 -0.672 57 HD1 PHE 8 HD2 PHE 8 -7.725 5.491 0.880 58 HD2 PHE 8 HD1 PHE 8 -5.113 2.102 0.672 59 HE1 PHE 8 HE2 PHE 8 -9.287 4.202 2.289 60 HE2 PHE 8 HE1 PHE 8 -6.677 0.798 2.096 61 HZ PHE 8 HZ PHE 8 -8.771 1.857 2.910 62 H LEU 9 HN LEU 9 -2.277 4.867 0.007 63 HA LEU 9 HA LEU 9 -1.889 7.125 -1.904 64 1HB LEU 9 HB2 LEU 9 -0.550 7.673 0.033 65 2HB LEU 9 HB1 LEU 9 0.091 6.035 0.114 66 HG LEU 9 HG LEU 9 1.296 6.320 -1.951 67 1HD1 LEU 9 HD13 LEU 9 -0.330 8.849 -2.140 68 2HD1 LEU 9 HD12 LEU 9 1.196 8.696 -3.008 69 3HD1 LEU 9 HD11 LEU 9 -0.123 7.578 -3.343 70 1HD2 LEU 9 HD21 LEU 9 1.544 8.671 -0.072 71 2HD2 LEU 9 HD23 LEU 9 2.497 7.185 -0.085 72 3HD2 LEU 9 HD22 LEU 9 2.686 8.368 -1.380 73 H VAL 10 HN VAL 10 -2.201 5.896 -3.779 74 HA VAL 10 HA VAL 10 -0.907 3.266 -3.985 75 HB VAL 10 HB VAL 10 -2.143 3.034 -6.044 76 1HG1 VAL 10 HG11 VAL 10 -3.333 3.608 -3.538 77 2HG1 VAL 10 HG13 VAL 10 -4.344 4.364 -4.769 78 3HG1 VAL 10 HG12 VAL 10 -4.003 2.637 -4.848 79 1HG2 VAL 10 HG23 VAL 10 -2.331 5.995 -5.814 80 2HG2 VAL 10 HG22 VAL 10 -2.089 5.004 -7.248 81 3HG2 VAL 10 HG21 VAL 10 -3.696 5.154 -6.537 82 H VAL 11 HN VAL 11 1.253 3.380 -4.397 83 HA VAL 11 HA VAL 11 2.264 5.460 -6.210 84 HB VAL 11 HB VAL 11 3.754 3.472 -4.487 85 1HG1 VAL 11 HG13 VAL 11 4.575 5.378 -6.573 86 2HG1 VAL 11 HG12 VAL 11 5.424 5.602 -5.044 87 3HG1 VAL 11 HG11 VAL 11 5.474 4.039 -5.860 88 1HG2 VAL 11 HG22 VAL 11 2.414 5.955 -3.923 89 2HG2 VAL 11 HG21 VAL 11 3.292 4.908 -2.809 90 3HG2 VAL 11 HG23 VAL 11 4.149 6.168 -3.699 91 H ASP 12 HN ASP 12 0.997 4.081 -7.914 92 HA ASP 12 HA ASP 12 2.503 1.699 -8.800 93 1HB ASP 12 HB2 ASP 12 0.746 1.537 -10.533 94 2HB ASP 12 HB1 ASP 12 0.034 1.686 -8.927 95 H ASP 13 HN ASP 13 1.680 2.581 -11.656 96 HA ASP 13 HA ASP 13 3.267 4.900 -12.286 97 1HB ASP 13 HB2 ASP 13 4.996 3.082 -11.614 98 2HB ASP 13 HB1 ASP 13 4.566 2.314 -13.142 99 H PHE 14 HN PHE 14 1.857 1.835 -13.321 100 HA PHE 14 HA PHE 14 1.833 2.269 -16.119 101 1HB PHE 14 HB2 PHE 14 0.570 0.474 -14.246 102 2HB PHE 14 HB1 PHE 14 -0.605 0.997 -15.453 103 HD1 PHE 14 HD2 PHE 14 2.874 -0.329 -15.095 104 HD2 PHE 14 HD1 PHE 14 -0.577 0.069 -17.622 105 HE1 PHE 14 HE2 PHE 14 3.921 -1.838 -16.761 106 HE2 PHE 14 HE1 PHE 14 0.470 -1.441 -19.288 107 HZ PHE 14 HZ PHE 14 2.719 -2.393 -18.858 108 H SER 15 HN SER 15 0.071 3.031 -17.491 109 HA SER 15 HA SER 15 -1.267 5.388 -16.309 110 1HB SER 15 HB2 SER 15 -0.167 5.782 -18.417 111 2HB SER 15 HB1 SER 15 -0.963 4.396 -19.155 112 HG SER 15 HG SER 15 -2.468 5.761 -19.669 113 H THR 16 HN THR 16 -2.276 2.847 -15.457 114 HA THR 16 HA THR 16 -5.077 3.230 -15.930 115 HB THR 16 HB THR 16 -4.754 2.289 -18.109 116 HG1 THR 16 HG1 THR 16 -5.427 -0.111 -17.102 117 1HG2 THR 16 HG23 THR 16 -2.719 0.726 -16.694 118 2HG2 THR 16 HG22 THR 16 -3.679 -0.241 -17.815 119 3HG2 THR 16 HG21 THR 16 -2.807 1.177 -18.397 120 H MET 17 HN MET 17 -2.563 2.094 -14.201 121 HA MET 17 HA MET 17 -3.871 -0.242 -12.989 122 1HB MET 17 HB2 MET 17 -1.414 -0.169 -13.182 123 2HB MET 17 HB1 MET 17 -1.373 1.281 -12.178 124 1HG MET 17 HG2 MET 17 -1.856 0.123 -10.244 125 2HG MET 17 HG1 MET 17 -2.799 -1.102 -11.091 126 1HE MET 17 HE1 MET 17 -2.092 -3.270 -11.683 127 2HE MET 17 HE3 MET 17 -1.416 -2.525 -13.139 128 3HE MET 17 HE2 MET 17 -0.488 -3.730 -12.249 129 NH1 ARG 18 NH2 ARG 18 -5.100 5.768 -15.080 130 NH2 ARG 18 NH1 ARG 18 -5.141 7.919 -14.389 131 H ARG 18 HN ARG 18 -3.385 3.173 -12.276 132 HA ARG 18 HA ARG 18 -4.283 3.093 -9.550 133 1HB ARG 18 HB2 ARG 18 -5.008 5.548 -10.958 134 2HB ARG 18 HB1 ARG 18 -3.914 5.321 -9.600 135 1HG ARG 18 HG2 ARG 18 -2.523 6.124 -11.337 136 2HG ARG 18 HG1 ARG 18 -2.247 4.384 -11.346 137 1HD ARG 18 HD2 ARG 18 -2.699 4.590 -13.577 138 2HD ARG 18 HD1 ARG 18 -4.376 4.555 -13.037 139 HE ARG 18 HE ARG 18 -3.038 7.197 -13.232 140 1HH1 ARG 18 HH21 ARG 18 -4.707 4.849 -15.030 141 2HH1 ARG 18 HH22 ARG 18 -5.854 5.955 -15.709 142 1HH2 ARG 18 HH11 ARG 18 -4.781 8.650 -13.810 143 2HH2 ARG 18 HH12 ARG 18 -5.896 8.106 -15.018 144 NH1 ARG 19 NH2 ARG 19 -10.506 3.431 -17.830 145 NH2 ARG 19 NH1 ARG 19 -8.363 4.048 -18.198 146 H ARG 19 HN ARG 19 -5.984 3.848 -12.597 147 HA ARG 19 HA ARG 19 -8.522 4.350 -11.499 148 1HB ARG 19 HB2 ARG 19 -7.735 4.580 -13.942 149 2HB ARG 19 HB1 ARG 19 -8.144 2.871 -14.103 150 1HG ARG 19 HG2 ARG 19 -10.422 3.617 -13.004 151 2HG ARG 19 HG1 ARG 19 -9.955 5.212 -13.597 152 1HD ARG 19 HD2 ARG 19 -10.670 2.753 -15.134 153 2HD ARG 19 HD1 ARG 19 -11.067 4.439 -15.466 154 HE ARG 19 HE ARG 19 -8.226 3.962 -15.733 155 1HH1 ARG 19 HH21 ARG 19 -11.251 3.222 -17.196 156 2HH1 ARG 19 HH22 ARG 19 -10.659 3.374 -18.818 157 1HH2 ARG 19 HH11 ARG 19 -7.465 4.312 -17.846 158 2HH2 ARG 19 HH12 ARG 19 -8.516 3.991 -19.185 159 H ILE 20 HN ILE 20 -6.881 1.302 -12.031 160 HA ILE 20 HA ILE 20 -9.196 -0.392 -11.809 161 HB ILE 20 HB ILE 20 -6.236 -0.748 -11.636 162 1HG1 ILE 20 HG12 ILE 20 -8.348 -2.380 -13.057 163 2HG1 ILE 20 HG11 ILE 20 -7.681 -0.896 -13.735 164 1HG2 ILE 20 HG22 ILE 20 -8.271 -2.666 -10.484 165 2HG2 ILE 20 HG21 ILE 20 -6.717 -3.221 -11.103 166 3HG2 ILE 20 HG23 ILE 20 -6.771 -2.092 -9.751 167 1HD1 ILE 20 HD13 ILE 20 -5.925 -3.177 -12.811 168 2HD1 ILE 20 HD12 ILE 20 -6.542 -3.071 -14.460 169 3HD1 ILE 20 HD11 ILE 20 -5.480 -1.810 -13.833 170 H VAL 21 HN VAL 21 -6.675 0.421 -9.396 171 HA VAL 21 HA VAL 21 -8.106 -0.819 -7.234 172 HB VAL 21 HB VAL 21 -6.401 1.202 -6.192 173 1HG1 VAL 21 HG11 VAL 21 -6.800 -1.084 -5.301 174 2HG1 VAL 21 HG13 VAL 21 -5.913 -1.753 -6.670 175 3HG1 VAL 21 HG12 VAL 21 -5.081 -0.739 -5.492 176 1HG2 VAL 21 HG22 VAL 21 -5.217 -0.308 -8.544 177 2HG2 VAL 21 HG21 VAL 21 -5.508 1.430 -8.484 178 3HG2 VAL 21 HG23 VAL 21 -4.314 0.699 -7.412 179 NH1 ARG 22 NH2 ARG 22 -11.426 8.811 -8.257 180 NH2 ARG 22 NH1 ARG 22 -10.500 8.586 -10.307 181 H ARG 22 HN ARG 22 -8.045 2.501 -8.494 182 HA ARG 22 HA ARG 22 -9.270 3.871 -6.374 183 1HB ARG 22 HB2 ARG 22 -9.077 4.201 -9.273 184 2HB ARG 22 HB1 ARG 22 -10.553 4.890 -8.605 185 1HG ARG 22 HG2 ARG 22 -9.252 6.182 -6.982 186 2HG ARG 22 HG1 ARG 22 -7.758 5.445 -7.565 187 1HD ARG 22 HD2 ARG 22 -7.600 7.033 -9.146 188 2HD ARG 22 HD1 ARG 22 -9.133 6.495 -9.830 189 HE ARG 22 HE ARG 22 -8.883 8.618 -7.740 190 1HH1 ARG 22 HH21 ARG 22 -11.355 8.742 -7.263 191 2HH1 ARG 22 HH22 ARG 22 -12.281 9.118 -8.677 192 1HH2 ARG 22 HH11 ARG 22 -9.719 8.347 -10.883 193 2HH2 ARG 22 HH12 ARG 22 -11.354 8.894 -10.727 194 H ASN 23 HN ASN 23 -10.954 2.233 -9.077 195 HA ASN 23 HA ASN 23 -13.589 2.535 -8.113 196 1HB ASN 23 HB2 ASN 23 -12.297 1.360 -10.252 197 2HB ASN 23 HB1 ASN 23 -12.973 -0.006 -9.409 198 1HD2 ASN 23 HD22 ASN 23 -16.092 0.616 -10.933 199 2HD2 ASN 23 HD21 ASN 23 -14.888 -0.513 -10.540 200 H LEU 24 HN LEU 24 -11.468 -0.283 -7.946 201 HA LEU 24 HA LEU 24 -12.858 -2.024 -6.336 202 1HB LEU 24 HB2 LEU 24 -10.528 -2.344 -7.215 203 2HB LEU 24 HB1 LEU 24 -9.949 -1.311 -5.916 204 HG LEU 24 HG LEU 24 -11.685 -3.423 -4.898 205 1HD1 LEU 24 HD11 LEU 24 -9.223 -4.213 -6.479 206 2HD1 LEU 24 HD13 LEU 24 -10.053 -5.272 -5.342 207 3HD1 LEU 24 HD12 LEU 24 -10.884 -4.715 -6.793 208 1HD2 LEU 24 HD22 LEU 24 -8.821 -2.548 -4.426 209 2HD2 LEU 24 HD21 LEU 24 -10.219 -2.267 -3.393 210 3HD2 LEU 24 HD23 LEU 24 -9.553 -3.890 -3.559 211 H LEU 25 HN LEU 25 -10.587 0.366 -4.908 212 HA LEU 25 HA LEU 25 -11.392 0.048 -2.228 213 1HB LEU 25 HB2 LEU 25 -10.221 2.333 -3.786 214 2HB LEU 25 HB1 LEU 25 -10.733 2.606 -2.125 215 HG LEU 25 HG LEU 25 -8.880 0.356 -2.955 216 1HD1 LEU 25 HD13 LEU 25 -8.375 3.212 -2.534 217 2HD1 LEU 25 HD12 LEU 25 -7.386 2.176 -1.506 218 3HD1 LEU 25 HD11 LEU 25 -7.339 1.982 -3.258 219 1HD2 LEU 25 HD21 LEU 25 -10.228 1.079 -0.488 220 2HD2 LEU 25 HD23 LEU 25 -9.229 -0.332 -0.833 221 3HD2 LEU 25 HD22 LEU 25 -8.481 1.163 -0.276 222 H LYS 26 HN LYS 26 -12.731 2.248 -4.706 223 HA LYS 26 HA LYS 26 -14.624 3.551 -3.095 224 1HB LYS 26 HB2 LYS 26 -14.183 3.149 -5.938 225 2HB LYS 26 HB1 LYS 26 -15.902 3.141 -5.559 226 1HG LYS 26 HG2 LYS 26 -15.262 5.425 -6.019 227 2HG LYS 26 HG1 LYS 26 -15.554 5.296 -4.286 228 1HD LYS 26 HD2 LYS 26 -13.221 5.273 -3.794 229 2HD LYS 26 HD1 LYS 26 -12.793 4.960 -5.475 230 1HE LYS 26 HE2 LYS 26 -13.609 7.175 -6.126 231 2HE LYS 26 HE1 LYS 26 -14.114 7.494 -4.466 232 1HZ LYS 26 HZ1 LYS 26 -11.321 6.799 -5.149 233 2HZ LYS 26 HZ3 LYS 26 -11.877 8.401 -5.179 234 3HZ LYS 26 HZ2 LYS 26 -11.912 7.519 -3.727 235 H GLU 27 HN GLU 27 -14.891 0.458 -4.819 236 HA GLU 27 HA GLU 27 -17.592 -0.087 -4.252 237 1HB GLU 27 HB2 GLU 27 -15.581 -1.423 -5.536 238 2HB GLU 27 HB1 GLU 27 -15.786 -2.413 -4.091 239 1HG GLU 27 HG2 GLU 27 -17.324 -3.320 -5.653 240 2HG GLU 27 HG1 GLU 27 -18.311 -2.311 -4.595 241 H LEU 28 HN LEU 28 -14.867 -0.002 -2.138 242 HA LEU 28 HA LEU 28 -16.308 -1.560 -0.050 243 1HB LEU 28 HB2 LEU 28 -13.546 -1.169 -0.731 244 2HB LEU 28 HB1 LEU 28 -13.815 -0.593 0.912 245 HG LEU 28 HG LEU 28 -14.677 -3.306 -0.132 246 1HD1 LEU 28 HD12 LEU 28 -12.174 -2.296 1.060 247 2HD1 LEU 28 HD11 LEU 28 -12.826 -3.734 1.845 248 3HD1 LEU 28 HD13 LEU 28 -12.462 -3.759 0.119 249 1HD2 LEU 28 HD22 LEU 28 -15.334 -1.760 2.241 250 2HD2 LEU 28 HD21 LEU 28 -15.995 -3.303 1.703 251 3HD2 LEU 28 HD23 LEU 28 -14.525 -3.267 2.676 252 H GLY 29 HN GLY 29 -15.971 1.642 -1.051 253 1HA GLY 29 HA2 GLY 29 -17.043 3.488 0.019 254 2HA GLY 29 HA1 GLY 29 -17.018 2.573 1.519 255 H PHE 30 HN PHE 30 -14.766 4.100 -0.786 256 HA PHE 30 HA PHE 30 -13.306 5.264 1.506 257 1HB PHE 30 HB2 PHE 30 -12.146 3.249 -0.406 258 2HB PHE 30 HB1 PHE 30 -11.114 4.464 0.343 259 HD1 PHE 30 HD2 PHE 30 -11.548 4.743 2.997 260 HD2 PHE 30 HD1 PHE 30 -12.364 1.215 0.700 261 HE1 PHE 30 HE2 PHE 30 -11.428 3.357 5.060 262 HE2 PHE 30 HE1 PHE 30 -12.254 -0.162 2.763 263 HZ PHE 30 HZ PHE 30 -11.785 0.916 4.940 264 H ASN 31 HN ASN 31 -13.717 7.357 0.780 265 HA ASN 31 HA ASN 31 -12.979 8.022 -2.034 266 1HB ASN 31 HB2 ASN 31 -14.932 9.143 -0.058 267 2HB ASN 31 HB1 ASN 31 -14.266 10.207 -1.294 268 1HD2 ASN 31 HD22 ASN 31 -17.036 8.970 -3.199 269 2HD2 ASN 31 HD21 ASN 31 -16.516 10.260 -2.228 270 H ASN 32 HN ASN 32 -10.682 7.868 -0.978 271 HA ASN 32 HA ASN 32 -9.671 10.548 -0.714 272 1HB ASN 32 HB2 ASN 32 -10.755 9.914 1.619 273 2HB ASN 32 HB1 ASN 32 -9.259 9.008 1.830 274 1HD2 ASN 32 HD22 ASN 32 -9.073 12.809 2.714 275 2HD2 ASN 32 HD21 ASN 32 -10.415 11.784 2.873 276 H VAL 33 HN VAL 33 -8.189 9.787 -2.294 277 HA VAL 33 HA VAL 33 -5.993 8.150 -1.184 278 HB VAL 33 HB VAL 33 -7.454 6.476 -2.180 279 1HG1 VAL 33 HG12 VAL 33 -8.668 8.063 -3.670 280 2HG1 VAL 33 HG11 VAL 33 -7.251 8.124 -4.717 281 3HG1 VAL 33 HG13 VAL 33 -8.137 6.613 -4.520 282 1HG2 VAL 33 HG21 VAL 33 -4.798 6.809 -2.797 283 2HG2 VAL 33 HG23 VAL 33 -5.749 5.387 -3.218 284 3HG2 VAL 33 HG22 VAL 33 -5.521 6.677 -4.398 285 H GLU 34 HN GLU 34 -3.970 8.521 -2.257 286 HA GLU 34 HA GLU 34 -4.042 10.583 -4.435 287 1HB GLU 34 HB2 GLU 34 -2.142 10.320 -2.092 288 2HB GLU 34 HB1 GLU 34 -1.833 11.364 -3.477 289 1HG GLU 34 HG2 GLU 34 -4.505 11.863 -2.562 290 2HG GLU 34 HG1 GLU 34 -3.424 11.942 -1.176 291 H GLU 35 HN GLU 35 -1.498 10.482 -5.346 292 HA GLU 35 HA GLU 35 -0.718 7.643 -5.571 293 1HB GLU 35 HB2 GLU 35 -0.638 8.643 -8.228 294 2HB GLU 35 HB1 GLU 35 -1.597 7.306 -7.606 295 1HG GLU 35 HG2 GLU 35 -3.041 8.973 -8.675 296 2HG GLU 35 HG1 GLU 35 -3.378 8.902 -6.952 297 H ALA 36 HN ALA 36 1.331 7.344 -6.689 298 HA ALA 36 HA ALA 36 3.002 9.792 -6.951 299 1HB ALA 36 HB1 ALA 36 3.137 8.014 -4.739 300 2HB ALA 36 HB3 ALA 36 4.560 7.703 -5.732 301 3HB ALA 36 HB2 ALA 36 4.242 9.329 -5.128 302 H GLU 37 HN GLU 37 5.408 8.566 -7.522 303 HA GLU 37 HA GLU 37 4.771 6.668 -9.750 304 1HB GLU 37 HB2 GLU 37 6.835 8.859 -9.978 305 2HB GLU 37 HB1 GLU 37 6.156 7.862 -11.266 306 1HG GLU 37 HG2 GLU 37 3.930 8.892 -10.854 307 2HG GLU 37 HG1 GLU 37 4.661 9.937 -9.634 308 H ASP 38 HN ASP 38 6.389 7.027 -6.919 309 HA ASP 38 HA ASP 38 7.931 4.688 -7.141 310 1HB ASP 38 HB2 ASP 38 10.247 6.002 -7.138 311 2HB ASP 38 HB1 ASP 38 9.492 5.504 -8.652 312 H GLY 39 HN GLY 39 9.931 4.939 -5.389 313 1HA GLY 39 HA2 GLY 39 8.561 5.729 -2.970 314 2HA GLY 39 HA1 GLY 39 10.218 5.142 -3.035 315 H VAL 40 HN VAL 40 10.951 7.204 -5.066 316 HA VAL 40 HA VAL 40 11.759 9.291 -3.265 317 HB VAL 40 HB VAL 40 11.543 9.571 -6.271 318 1HG1 VAL 40 HG12 VAL 40 12.203 11.529 -4.803 319 2HG1 VAL 40 HG11 VAL 40 13.622 10.599 -4.322 320 3HG1 VAL 40 HG13 VAL 40 13.408 11.072 -6.007 321 1HG2 VAL 40 HG23 VAL 40 13.630 8.116 -4.619 322 2HG2 VAL 40 HG22 VAL 40 12.613 7.430 -5.886 323 3HG2 VAL 40 HG21 VAL 40 13.871 8.595 -6.298 324 H ASP 41 HN ASP 41 9.065 8.898 -5.508 325 HA ASP 41 HA ASP 41 8.070 11.610 -5.167 326 1HB ASP 41 HB2 ASP 41 7.640 9.909 -7.100 327 2HB ASP 41 HB1 ASP 41 6.395 9.267 -6.035 328 H ALA 42 HN ALA 42 7.148 8.397 -3.912 329 HA ALA 42 HA ALA 42 4.981 9.289 -2.294 330 1HB ALA 42 HB1 ALA 42 6.211 6.846 -2.801 331 2HB ALA 42 HB3 ALA 42 6.519 7.119 -1.087 332 3HB ALA 42 HB2 ALA 42 4.865 7.114 -1.692 333 H LEU 43 HN LEU 43 8.379 8.636 -1.332 334 HA LEU 43 HA LEU 43 8.247 9.483 1.323 335 1HB LEU 43 HB2 LEU 43 10.282 8.696 -0.213 336 2HB LEU 43 HB1 LEU 43 10.577 10.431 -0.292 337 HG LEU 43 HG LEU 43 10.291 8.802 2.251 338 1HD1 LEU 43 HD13 LEU 43 12.655 9.959 0.767 339 2HD1 LEU 43 HD12 LEU 43 12.731 9.588 2.489 340 3HD1 LEU 43 HD11 LEU 43 12.418 8.303 1.322 341 1HD2 LEU 43 HD22 LEU 43 10.601 11.741 1.670 342 2HD2 LEU 43 HD21 LEU 43 9.526 10.947 2.820 343 3HD2 LEU 43 HD23 LEU 43 11.251 11.064 3.162 344 H ASN 44 HN ASN 44 8.844 11.550 -1.541 345 HA ASN 44 HA ASN 44 8.877 14.002 -0.038 346 1HB ASN 44 HB2 ASN 44 8.665 13.253 -2.922 347 2HB ASN 44 HB1 ASN 44 8.201 14.891 -2.460 348 1HD2 ASN 44 HD22 ASN 44 12.092 14.008 -2.745 349 2HD2 ASN 44 HD21 ASN 44 10.860 13.014 -3.357 350 H LYS 45 HN LYS 45 6.293 12.158 -1.587 351 HA LYS 45 HA LYS 45 4.328 14.284 -1.002 352 1HB LYS 45 HB2 LYS 45 4.290 11.685 -2.491 353 2HB LYS 45 HB1 LYS 45 2.764 12.356 -1.914 354 1HG LYS 45 HG2 LYS 45 4.654 14.193 -3.327 355 2HG LYS 45 HG1 LYS 45 3.753 13.028 -4.297 356 1HD LYS 45 HD2 LYS 45 1.636 13.846 -3.318 357 2HD LYS 45 HD1 LYS 45 2.539 15.020 -2.358 358 1HE LYS 45 HE2 LYS 45 1.912 16.301 -4.210 359 2HE LYS 45 HE1 LYS 45 3.522 15.753 -4.677 360 1HZ LYS 45 HZ1 LYS 45 2.456 13.882 -5.844 361 2HZ LYS 45 HZ3 LYS 45 0.935 14.541 -5.484 362 3HZ LYS 45 HZ2 LYS 45 2.013 15.394 -6.482 363 H LEU 46 HN LEU 46 5.713 11.774 0.735 364 HA LEU 46 HA LEU 46 3.361 10.798 2.126 365 1HB LEU 46 HB2 LEU 46 6.152 10.203 2.074 366 2HB LEU 46 HB1 LEU 46 5.743 10.596 3.740 367 HG LEU 46 HG LEU 46 5.491 8.172 3.261 368 1HD1 LEU 46 HD11 LEU 46 3.434 9.927 4.325 369 2HD1 LEU 46 HD13 LEU 46 2.737 8.447 3.669 370 3HD1 LEU 46 HD12 LEU 46 3.980 8.359 4.915 371 1HD2 LEU 46 HD22 LEU 46 4.474 8.994 0.834 372 2HD2 LEU 46 HD21 LEU 46 4.333 7.359 1.486 373 3HD2 LEU 46 HD23 LEU 46 3.022 8.516 1.713 374 H GLN 47 HN GLN 47 5.524 13.520 2.499 375 HA GLN 47 HA GLN 47 4.828 14.152 5.224 376 1HB GLN 47 HB2 GLN 47 6.824 15.107 4.169 377 2HB GLN 47 HB1 GLN 47 5.820 15.941 2.983 378 1HG GLN 47 HG2 GLN 47 5.038 17.486 4.522 379 2HG GLN 47 HG1 GLN 47 5.254 16.390 5.888 380 1HE2 GLN 47 HE22 GLN 47 8.178 18.993 5.007 381 2HE2 GLN 47 HE21 GLN 47 6.631 19.071 4.312 382 H ALA 48 HN ALA 48 2.878 14.005 2.578 383 HA ALA 48 HA ALA 48 1.383 16.325 2.402 384 1HB ALA 48 HB2 ALA 48 0.583 13.425 2.332 385 2HB ALA 48 HB1 ALA 48 -0.638 14.688 2.181 386 3HB ALA 48 HB3 ALA 48 0.669 14.581 1.002 387 H GLY 49 HN GLY 49 0.071 13.677 4.398 388 1HA GLY 49 HA2 GLY 49 -0.258 15.578 6.662 389 2HA GLY 49 HA1 GLY 49 -1.715 14.840 5.992 390 H GLY 50 HN GLY 50 -1.511 12.350 5.775 391 1HA GLY 50 HA2 GLY 50 0.281 10.867 7.421 392 2HA GLY 50 HA1 GLY 50 -1.175 11.216 8.354 393 OH TYR 51 OH TYR 51 -1.159 11.797 -0.595 394 H TYR 51 HN TYR 51 -0.239 10.005 5.135 395 HA TYR 51 HA TYR 51 -2.628 8.843 4.343 396 1HB TYR 51 HB2 TYR 51 0.231 7.970 3.982 397 2HB TYR 51 HB1 TYR 51 -1.097 7.047 3.286 398 HD1 TYR 51 HD1 TYR 51 -2.851 8.358 1.885 399 HD2 TYR 51 HD2 TYR 51 1.049 9.857 2.872 400 HE1 TYR 51 HE1 TYR 51 -3.016 10.014 0.048 401 HE2 TYR 51 HE2 TYR 51 0.888 11.506 1.034 402 HH TYR 51 HH TYR 51 -0.310 12.238 -0.669 403 H GLY 52 HN GLY 52 -3.895 7.828 5.844 404 1HA GLY 52 HA2 GLY 52 -2.850 6.063 7.865 405 2HA GLY 52 HA1 GLY 52 -4.542 6.226 7.431 406 H PHE 53 HN PHE 53 -2.678 5.647 4.689 407 HA PHE 53 HA PHE 53 -2.429 2.772 4.894 408 1HB PHE 53 HB2 PHE 53 -5.007 3.587 4.550 409 2HB PHE 53 HB1 PHE 53 -4.484 3.408 2.888 410 HD1 PHE 53 HD2 PHE 53 -3.522 1.220 2.115 411 HD2 PHE 53 HD1 PHE 53 -5.371 1.691 5.945 412 HE1 PHE 53 HE2 PHE 53 -3.833 -1.215 2.257 413 HE2 PHE 53 HE1 PHE 53 -5.691 -0.744 6.096 414 HZ PHE 53 HZ PHE 53 -4.911 -2.218 4.256 415 H VAL 54 HN VAL 54 -1.298 1.933 3.066 416 HA VAL 54 HA VAL 54 -0.873 3.779 0.774 417 HB VAL 54 HB VAL 54 1.428 2.569 2.315 418 1HG1 VAL 54 HG13 VAL 54 1.217 3.573 -0.315 419 2HG1 VAL 54 HG12 VAL 54 2.037 4.826 0.617 420 3HG1 VAL 54 HG11 VAL 54 2.698 3.192 0.562 421 1HG2 VAL 54 HG23 VAL 54 0.254 5.358 2.337 422 2HG2 VAL 54 HG22 VAL 54 0.504 4.287 3.713 423 3HG2 VAL 54 HG21 VAL 54 1.889 5.007 2.893 424 H ILE 55 HN ILE 55 -1.162 2.614 -1.010 425 HA ILE 55 HA ILE 55 -0.663 -0.337 -0.958 426 HB ILE 55 HB ILE 55 -2.382 1.530 -2.597 427 1HG1 ILE 55 HG12 ILE 55 -3.038 -1.238 -1.611 428 2HG1 ILE 55 HG11 ILE 55 -3.066 0.138 -0.507 429 1HG2 ILE 55 HG22 ILE 55 -1.112 -1.004 -3.548 430 2HG2 ILE 55 HG21 ILE 55 -2.799 -0.726 -3.956 431 3HG2 ILE 55 HG23 ILE 55 -1.571 0.432 -4.459 432 1HD1 ILE 55 HD11 ILE 55 -4.449 0.517 -3.109 433 2HD1 ILE 55 HD13 ILE 55 -5.211 -0.598 -1.975 434 3HD1 ILE 55 HD12 ILE 55 -4.907 1.073 -1.500 435 H SER 56 HN SER 56 1.649 -0.266 -1.273 436 HA SER 56 HA SER 56 2.666 1.230 -3.636 437 1HB SER 56 HB2 SER 56 4.889 0.767 -2.720 438 2HB SER 56 HB1 SER 56 3.857 1.473 -1.479 439 HG SER 56 HG SER 56 5.114 -0.880 -1.477 440 H ASP 57 HN ASP 57 3.889 0.173 -5.281 441 HA ASP 57 HA ASP 57 3.047 -2.608 -5.764 442 1HB ASP 57 HB2 ASP 57 4.242 -2.260 -7.959 443 2HB ASP 57 HB1 ASP 57 2.946 -1.102 -7.657 444 CH2 TRP 58 CH2 TRP 58 10.066 -6.612 -2.238 445 H TRP 58 HN TRP 58 6.099 -1.909 -7.119 446 HA TRP 58 HA TRP 58 7.586 -3.133 -4.873 447 1HB TRP 58 HB2 TRP 58 6.704 -4.983 -6.376 448 2HB TRP 58 HB1 TRP 58 7.717 -4.318 -7.656 449 HD1 TRP 58 HD1 TRP 58 9.989 -5.413 -7.815 450 HE1 TRP 58 HE1 TRP 58 11.602 -6.593 -6.187 451 HE3 TRP 58 HE3 TRP 58 7.353 -4.952 -3.458 452 HZ2 TRP 58 HZ2 TRP 58 11.756 -7.251 -3.408 453 HZ3 TRP 58 HZ3 TRP 58 8.263 -5.859 -1.341 454 HH2 TRP 58 HH2 TRP 58 10.456 -7.003 -1.312 455 H ASN 59 HN ASN 59 10.024 -3.332 -5.658 456 HA ASN 59 HA ASN 59 10.817 -0.649 -6.426 457 1HB ASN 59 HB2 ASN 59 13.149 -1.871 -6.493 458 2HB ASN 59 HB1 ASN 59 12.338 -1.619 -4.948 459 1HD2 ASN 59 HD22 ASN 59 12.623 -5.409 -6.484 460 2HD2 ASN 59 HD21 ASN 59 12.955 -4.072 -7.474 461 H MET 60 HN MET 60 9.534 -0.906 -8.570 462 HA MET 60 HA MET 60 10.845 -2.507 -10.626 463 1HB MET 60 HB2 MET 60 8.343 -1.167 -10.359 464 2HB MET 60 HB1 MET 60 9.150 -0.518 -11.787 465 1HG MET 60 HG2 MET 60 7.859 -2.465 -12.451 466 2HG MET 60 HG1 MET 60 9.573 -2.867 -12.553 467 1HE MET 60 HE2 MET 60 6.183 -3.590 -11.135 468 2HE MET 60 HE1 MET 60 6.863 -4.720 -12.303 469 3HE MET 60 HE3 MET 60 6.478 -5.262 -10.664 470 HA PRO 61 HA PRO 61 12.242 1.869 -12.107 471 1HB PRO 61 HB2 PRO 61 12.363 3.624 -9.831 472 2HB PRO 61 HB1 PRO 61 11.372 3.801 -11.286 473 1HG PRO 61 HG2 PRO 61 10.457 3.167 -8.657 474 2HG PRO 61 HG1 PRO 61 9.497 3.198 -10.142 475 1HD PRO 61 HD2 PRO 61 10.442 0.899 -8.624 476 2HD PRO 61 HD1 PRO 61 9.285 0.940 -9.969 477 H ASN 62 HN ASN 62 13.038 2.029 -8.625 478 HA ASN 62 HA ASN 62 15.663 0.785 -9.115 479 1HB ASN 62 HB2 ASN 62 16.937 2.689 -8.260 480 2HB ASN 62 HB1 ASN 62 15.999 3.196 -9.664 481 1HD2 ASN 62 HD22 ASN 62 13.500 4.674 -7.218 482 2HD2 ASN 62 HD21 ASN 62 13.417 3.343 -8.268 483 H MET 63 HN MET 63 16.156 2.582 -6.463 484 HA MET 63 HA MET 63 15.362 0.380 -4.675 485 1HB MET 63 HB2 MET 63 16.806 2.985 -4.084 486 2HB MET 63 HB1 MET 63 16.619 1.636 -2.962 487 1HG MET 63 HG2 MET 63 17.941 0.189 -4.358 488 2HG MET 63 HG1 MET 63 17.949 1.368 -5.670 489 1HE MET 63 HE1 MET 63 19.222 3.540 -5.731 490 2HE MET 63 HE3 MET 63 20.904 3.384 -5.205 491 3HE MET 63 HE2 MET 63 20.163 2.121 -6.184 492 H ASP 64 HN ASP 64 13.103 0.520 -4.461 493 HA ASP 64 HA ASP 64 12.130 2.629 -2.682 494 1HB ASP 64 HB2 ASP 64 11.240 2.468 -5.568 495 2HB ASP 64 HB1 ASP 64 10.225 3.189 -4.319 496 H GLY 65 HN GLY 65 9.669 2.227 -2.283 497 1HA GLY 65 HA2 GLY 65 7.899 0.723 -1.839 498 2HA GLY 65 HA1 GLY 65 8.631 -0.374 -2.963 499 H LEU 66 HN LEU 66 10.878 -1.294 -2.032 500 HA LEU 66 HA LEU 66 10.166 -2.616 0.460 501 1HB LEU 66 HB2 LEU 66 11.488 -3.870 -1.139 502 2HB LEU 66 HB1 LEU 66 12.717 -2.609 -1.185 503 HG LEU 66 HG LEU 66 13.380 -3.068 1.091 504 1HD1 LEU 66 HD13 LEU 66 10.876 -4.748 1.110 505 2HD1 LEU 66 HD12 LEU 66 12.185 -5.071 2.245 506 3HD1 LEU 66 HD11 LEU 66 11.376 -3.504 2.256 507 1HD2 LEU 66 HD21 LEU 66 13.691 -4.852 -0.984 508 2HD2 LEU 66 HD23 LEU 66 14.532 -4.954 0.563 509 3HD2 LEU 66 HD22 LEU 66 13.057 -5.884 0.298 510 H GLU 67 HN GLU 67 12.689 -0.281 -0.509 511 HA GLU 67 HA GLU 67 13.569 0.193 2.212 512 1HB GLU 67 HB2 GLU 67 14.675 0.732 -0.187 513 2HB GLU 67 HB1 GLU 67 13.934 2.300 0.133 514 1HG GLU 67 HG2 GLU 67 15.058 2.362 2.345 515 2HG GLU 67 HG1 GLU 67 15.839 0.824 1.975 516 H LEU 68 HN LEU 68 10.867 1.159 0.373 517 HA LEU 68 HA LEU 68 10.371 3.745 1.548 518 1HB LEU 68 HB2 LEU 68 8.816 1.731 0.006 519 2HB LEU 68 HB1 LEU 68 7.882 2.864 0.938 520 HG LEU 68 HG LEU 68 9.929 3.578 -1.169 521 1HD1 LEU 68 HD11 LEU 68 7.199 2.785 -1.325 522 2HD1 LEU 68 HD13 LEU 68 7.237 4.512 -1.617 523 3HD1 LEU 68 HD12 LEU 68 8.199 3.429 -2.625 524 1HD2 LEU 68 HD21 LEU 68 8.565 5.105 0.947 525 2HD2 LEU 68 HD23 LEU 68 9.990 5.526 0.000 526 3HD2 LEU 68 HD22 LEU 68 8.380 5.793 -0.662 527 H LEU 69 HN LEU 69 8.869 0.565 2.143 528 HA LEU 69 HA LEU 69 7.502 1.355 4.516 529 1HB LEU 69 HB2 LEU 69 6.632 -0.690 4.273 530 2HB LEU 69 HB1 LEU 69 7.733 -0.955 2.936 531 HG LEU 69 HG LEU 69 9.465 -1.746 4.632 532 1HD1 LEU 69 HD13 LEU 69 7.304 -0.973 6.455 533 2HD1 LEU 69 HD12 LEU 69 7.760 -2.663 6.675 534 3HD1 LEU 69 HD11 LEU 69 8.973 -1.399 6.827 535 1HD2 LEU 69 HD21 LEU 69 7.072 -3.088 3.653 536 2HD2 LEU 69 HD23 LEU 69 8.727 -3.685 3.760 537 3HD2 LEU 69 HD22 LEU 69 7.656 -3.816 5.152 538 H LYS 70 HN LYS 70 10.774 0.143 3.979 539 HA LYS 70 HA LYS 70 11.382 -0.245 6.778 540 1HB LYS 70 HB2 LYS 70 12.723 -1.177 4.835 541 2HB LYS 70 HB1 LYS 70 13.342 0.454 4.572 542 1HG LYS 70 HG2 LYS 70 13.723 0.124 7.281 543 2HG LYS 70 HG1 LYS 70 14.038 -1.497 6.662 544 1HD LYS 70 HD2 LYS 70 15.641 -0.566 5.031 545 2HD LYS 70 HD1 LYS 70 15.331 1.056 5.655 546 1HE LYS 70 HE2 LYS 70 16.137 0.357 7.880 547 2HE LYS 70 HE1 LYS 70 16.451 -1.262 7.258 548 1HZ LYS 70 HZ3 LYS 70 17.793 0.127 5.486 549 2HZ LYS 70 HZ2 LYS 70 17.891 1.233 6.773 550 3HZ LYS 70 HZ1 LYS 70 18.488 -0.347 6.959 551 H THR 71 HN THR 71 11.641 2.479 4.528 552 HA THR 71 HA THR 71 13.009 4.241 6.360 553 HB THR 71 HB THR 71 11.205 4.891 4.004 554 HG1 THR 71 HG1 THR 71 13.955 4.362 4.308 555 1HG2 THR 71 HG23 THR 71 12.884 6.529 5.848 556 2HG2 THR 71 HG22 THR 71 12.884 6.963 4.139 557 3HG2 THR 71 HG21 THR 71 11.370 6.940 5.043 558 H ILE 72 HN ILE 72 9.579 3.863 5.440 559 HA ILE 72 HA ILE 72 8.551 5.829 7.241 560 HB ILE 72 HB ILE 72 7.223 3.288 6.237 561 1HG1 ILE 72 HG12 ILE 72 6.921 6.078 5.114 562 2HG1 ILE 72 HG11 ILE 72 8.170 4.980 4.526 563 1HG2 ILE 72 HG21 ILE 72 6.139 5.839 7.459 564 2HG2 ILE 72 HG23 ILE 72 5.135 4.666 6.608 565 3HG2 ILE 72 HG22 ILE 72 5.974 4.199 8.086 566 1HD1 ILE 72 HD12 ILE 72 5.231 4.250 4.639 567 2HD1 ILE 72 HD11 ILE 72 6.011 4.913 3.204 568 3HD1 ILE 72 HD13 ILE 72 6.523 3.352 3.843 569 NH1 ARG 73 NH1 ARG 73 6.247 -1.556 11.653 570 NH2 ARG 73 NH2 ARG 73 5.892 -0.711 9.586 571 H ARG 73 HN ARG 73 9.649 2.552 7.696 572 HA ARG 73 HA ARG 73 8.437 2.361 10.379 573 1HB ARG 73 HB2 ARG 73 8.480 0.344 9.003 574 2HB ARG 73 HB1 ARG 73 10.225 0.477 8.810 575 1HG ARG 73 HG2 ARG 73 9.571 -1.203 10.537 576 2HG ARG 73 HG1 ARG 73 10.564 0.092 11.199 577 1HD ARG 73 HD2 ARG 73 8.388 -0.637 12.470 578 2HD ARG 73 HD1 ARG 73 8.760 1.080 12.314 579 HE ARG 73 HE ARG 73 6.942 1.300 10.789 580 1HH1 ARG 73 HH11 ARG 73 6.675 -1.489 12.554 581 2HH1 ARG 73 HH12 ARG 73 5.662 -2.337 11.434 582 1HH2 ARG 73 HH21 ARG 73 6.049 0.003 8.904 583 2HH2 ARG 73 HH22 ARG 73 5.307 -1.492 9.368 584 H ALA 74 HN ALA 74 11.554 3.037 8.900 585 HA ALA 74 HA ALA 74 13.145 2.655 11.265 586 1HB ALA 74 HB1 ALA 74 13.534 3.678 8.569 587 2HB ALA 74 HB3 ALA 74 14.414 4.637 9.759 588 3HB ALA 74 HB2 ALA 74 14.693 2.899 9.644 589 H ASP 75 HN ASP 75 11.417 5.447 9.941 590 HA ASP 75 HA ASP 75 12.424 7.465 11.622 591 1HB ASP 75 HB2 ASP 75 10.045 7.061 9.995 592 2HB ASP 75 HB1 ASP 75 9.682 7.991 11.450 593 H GLY 76 HN GLY 76 10.665 8.482 13.345 594 1HA GLY 76 HA2 GLY 76 10.520 6.399 15.450 595 2HA GLY 76 HA1 GLY 76 10.392 8.138 15.712 596 H ALA 77 HN ALA 77 8.367 9.189 14.976 597 HA ALA 77 HA ALA 77 6.059 7.512 15.639 598 1HB ALA 77 HB2 ALA 77 6.460 9.993 16.296 599 2HB ALA 77 HB1 ALA 77 5.905 10.359 14.662 600 3HB ALA 77 HB3 ALA 77 4.838 9.520 15.789 601 H MET 78 HN MET 78 6.994 6.370 13.416 602 HA MET 78 HA MET 78 5.015 7.176 11.334 603 1HB MET 78 HB2 MET 78 7.942 6.534 10.875 604 2HB MET 78 HB1 MET 78 6.743 6.652 9.588 605 1HG MET 78 HG2 MET 78 7.332 8.886 11.550 606 2HG MET 78 HG1 MET 78 8.057 8.769 9.948 607 1HE MET 78 HE3 MET 78 7.187 11.135 9.403 608 2HE MET 78 HE2 MET 78 7.213 9.974 8.078 609 3HE MET 78 HE1 MET 78 5.854 11.082 8.241 610 H SER 79 HN SER 79 6.053 4.847 13.389 611 HA SER 79 HA SER 79 5.678 2.573 11.527 612 1HB SER 79 HB2 SER 79 6.087 2.322 14.499 613 2HB SER 79 HB1 SER 79 6.566 1.210 13.221 614 HG SER 79 HG SER 79 7.603 3.834 13.405 615 H ALA 80 HN ALA 80 3.336 3.760 11.456 616 HA ALA 80 HA ALA 80 1.613 2.012 13.098 617 1HB ALA 80 HB3 ALA 80 2.042 4.283 14.285 618 2HB ALA 80 HB2 ALA 80 0.997 4.959 13.036 619 3HB ALA 80 HB1 ALA 80 0.376 3.726 14.132 620 H LEU 81 HN LEU 81 1.963 4.315 10.441 621 HA LEU 81 HA LEU 81 -0.699 4.025 9.465 622 1HB LEU 81 HB2 LEU 81 1.748 4.687 7.832 623 2HB LEU 81 HB1 LEU 81 0.082 5.103 7.464 624 HG LEU 81 HG LEU 81 1.860 6.246 9.615 625 1HD1 LEU 81 HD12 LEU 81 1.322 7.076 7.088 626 2HD1 LEU 81 HD11 LEU 81 0.016 7.877 7.960 627 3HD1 LEU 81 HD13 LEU 81 1.693 8.184 8.409 628 1HD2 LEU 81 HD23 LEU 81 -1.168 6.293 9.456 629 2HD2 LEU 81 HD22 LEU 81 -0.168 5.822 10.830 630 3HD2 LEU 81 HD21 LEU 81 -0.248 7.510 10.335 631 HA PRO 82 HA PRO 82 -0.087 -0.250 8.065 632 1HB PRO 82 HB2 PRO 82 -2.484 -0.100 6.483 633 2HB PRO 82 HB1 PRO 82 -2.235 -0.955 8.002 634 1HG PRO 82 HG2 PRO 82 -3.726 1.464 7.572 635 2HG PRO 82 HG1 PRO 82 -3.481 0.599 9.094 636 1HD PRO 82 HD2 PRO 82 -2.341 3.099 8.304 637 2HD PRO 82 HD1 PRO 82 -2.046 2.199 9.803 638 H VAL 83 HN VAL 83 1.541 -0.319 6.533 639 HA VAL 83 HA VAL 83 1.007 0.828 3.823 640 HB VAL 83 HB VAL 83 3.487 0.096 5.333 641 1HG1 VAL 83 HG11 VAL 83 3.122 -0.424 2.359 642 2HG1 VAL 83 HG13 VAL 83 4.694 -0.016 3.034 643 3HG1 VAL 83 HG12 VAL 83 3.873 -1.470 3.570 644 1HG2 VAL 83 HG23 VAL 83 2.473 2.439 4.410 645 2HG2 VAL 83 HG22 VAL 83 4.190 2.155 4.676 646 3HG2 VAL 83 HG21 VAL 83 3.515 1.986 3.060 647 H LEU 84 HN LEU 84 -0.031 -0.631 2.519 648 HA LEU 84 HA LEU 84 0.529 -3.483 3.041 649 1HB LEU 84 HB2 LEU 84 -1.852 -2.420 2.587 650 2HB LEU 84 HB1 LEU 84 -1.355 -2.581 0.907 651 HG LEU 84 HG LEU 84 -2.515 -4.589 1.450 652 1HD1 LEU 84 HD13 LEU 84 -0.328 -4.838 0.215 653 2HD1 LEU 84 HD12 LEU 84 0.409 -5.317 1.738 654 3HD1 LEU 84 HD11 LEU 84 -0.874 -6.289 1.041 655 1HD2 LEU 84 HD21 LEU 84 -1.907 -4.174 4.047 656 2HD2 LEU 84 HD23 LEU 84 -2.386 -5.757 3.441 657 3HD2 LEU 84 HD22 LEU 84 -0.681 -5.382 3.670 658 H MET 85 HN MET 85 2.450 -4.013 2.073 659 HA MET 85 HA MET 85 3.284 -2.773 -0.385 660 1HB MET 85 HB2 MET 85 4.964 -3.726 1.107 661 2HB MET 85 HB1 MET 85 4.215 -5.317 1.001 662 1HG MET 85 HG2 MET 85 6.240 -5.091 -0.450 663 2HG MET 85 HG1 MET 85 4.787 -5.486 -1.361 664 1HE MET 85 HE2 MET 85 6.936 -2.929 0.129 665 2HE MET 85 HE1 MET 85 7.847 -2.919 -1.379 666 3HE MET 85 HE3 MET 85 6.906 -1.500 -0.901 667 H VAL 86 HN VAL 86 2.943 -3.482 -2.488 668 HA VAL 86 HA VAL 86 1.228 -5.919 -2.818 669 HB VAL 86 HB VAL 86 1.180 -3.448 -4.552 670 1HG1 VAL 86 HG11 VAL 86 0.160 -6.004 -4.908 671 2HG1 VAL 86 HG13 VAL 86 -1.207 -5.102 -4.271 672 3HG1 VAL 86 HG12 VAL 86 -0.398 -4.550 -5.732 673 1HG2 VAL 86 HG21 VAL 86 -0.117 -4.071 -1.945 674 2HG2 VAL 86 HG23 VAL 86 0.373 -2.514 -2.605 675 3HG2 VAL 86 HG22 VAL 86 -1.112 -3.288 -3.164 676 H THR 87 HN THR 87 1.623 -7.225 -4.640 677 HA THR 87 HA THR 87 3.832 -6.413 -6.456 678 HB THR 87 HB THR 87 5.245 -7.470 -4.941 679 HG1 THR 87 HG1 THR 87 4.189 -9.359 -6.740 680 1HG2 THR 87 HG21 THR 87 2.784 -9.026 -4.284 681 2HG2 THR 87 HG23 THR 87 4.350 -9.725 -3.883 682 3HG2 THR 87 HG22 THR 87 3.883 -8.165 -3.209 683 H ALA 88 HN ALA 88 3.806 -7.581 -8.432 684 HA ALA 88 HA ALA 88 1.262 -9.004 -8.927 685 1HB ALA 88 HB3 ALA 88 2.028 -7.248 -10.522 686 2HB ALA 88 HB2 ALA 88 3.463 -8.214 -10.865 687 3HB ALA 88 HB1 ALA 88 1.866 -8.822 -11.301 688 H GLU 89 HN GLU 89 4.767 -9.547 -9.259 689 HA GLU 89 HA GLU 89 4.267 -12.431 -9.739 690 1HB GLU 89 HB2 GLU 89 7.039 -11.375 -9.460 691 2HB GLU 89 HB1 GLU 89 6.387 -12.518 -10.633 692 1HG GLU 89 HG2 GLU 89 5.168 -10.601 -11.716 693 2HG GLU 89 HG1 GLU 89 6.029 -9.509 -10.630 694 H ALA 90 HN ALA 90 3.462 -11.529 -7.220 695 HA ALA 90 HA ALA 90 5.207 -11.520 -5.086 696 1HB ALA 90 HB1 ALA 90 2.570 -11.581 -5.185 697 2HB ALA 90 HB3 ALA 90 2.806 -13.301 -4.877 698 3HB ALA 90 HB2 ALA 90 3.419 -12.107 -3.733 699 H LYS 91 HN LYS 91 7.059 -12.775 -5.386 700 HA LYS 91 HA LYS 91 6.730 -15.708 -5.700 701 1HB LYS 91 HB2 LYS 91 8.778 -13.759 -6.362 702 2HB LYS 91 HB1 LYS 91 9.457 -15.078 -5.409 703 1HG LYS 91 HG2 LYS 91 8.506 -16.722 -6.962 704 2HG LYS 91 HG1 LYS 91 7.768 -15.424 -7.903 705 1HD LYS 91 HD2 LYS 91 10.062 -14.478 -8.285 706 2HD LYS 91 HD1 LYS 91 10.732 -15.903 -7.491 707 1HE LYS 91 HE2 LYS 91 9.694 -15.615 -10.204 708 2HE LYS 91 HE1 LYS 91 10.704 -16.890 -9.522 709 1HZ LYS 91 HZ1 LYS 91 8.698 -17.830 -8.498 710 2HZ LYS 91 HZ3 LYS 91 7.755 -16.648 -9.266 711 3HZ LYS 91 HZ2 LYS 91 8.598 -17.796 -10.194 712 H LYS 92 HN LYS 92 7.361 -17.152 -4.058 713 HA LYS 92 HA LYS 92 7.026 -16.464 -1.379 714 1HB LYS 92 HB2 LYS 92 8.928 -18.590 -2.415 715 2HB LYS 92 HB1 LYS 92 8.188 -18.542 -0.814 716 1HG LYS 92 HG2 LYS 92 5.952 -18.723 -1.833 717 2HG LYS 92 HG1 LYS 92 6.682 -18.761 -3.439 718 1HD LYS 92 HD2 LYS 92 7.039 -20.973 -3.259 719 2HD LYS 92 HD1 LYS 92 7.966 -20.726 -1.778 720 1HE LYS 92 HE2 LYS 92 6.049 -22.194 -1.336 721 2HE LYS 92 HE1 LYS 92 5.851 -20.663 -0.484 722 1HZ LYS 92 HZ2 LYS 92 4.559 -19.926 -2.514 723 2HZ LYS 92 HZ1 LYS 92 4.516 -21.565 -2.962 724 3HZ LYS 92 HZ3 LYS 92 3.805 -21.067 -1.506 725 H GLU 93 HN GLU 93 9.682 -15.698 -3.409 726 HA GLU 93 HA GLU 93 11.530 -15.280 -1.187 727 1HB GLU 93 HB2 GLU 93 11.791 -14.799 -4.160 728 2HB GLU 93 HB1 GLU 93 13.081 -14.496 -2.995 729 1HG GLU 93 HG2 GLU 93 11.941 -17.139 -2.615 730 2HG GLU 93 HG1 GLU 93 12.522 -16.932 -4.268 731 H ASN 94 HN ASN 94 9.833 -13.290 -3.621 732 HA ASN 94 HA ASN 94 10.785 -10.824 -2.357 733 1HB ASN 94 HB2 ASN 94 10.376 -10.058 -4.426 734 2HB ASN 94 HB1 ASN 94 9.543 -11.550 -4.855 735 1HD2 ASN 94 HD22 ASN 94 6.290 -10.233 -3.911 736 2HD2 ASN 94 HD21 ASN 94 7.190 -11.669 -3.842 737 H ILE 95 HN ILE 95 8.180 -12.980 -1.834 738 HA ILE 95 HA ILE 95 6.265 -11.012 -0.875 739 HB ILE 95 HB ILE 95 6.512 -14.003 -0.735 740 1HG1 ILE 95 HG12 ILE 95 4.200 -12.203 -1.516 741 2HG1 ILE 95 HG11 ILE 95 5.442 -12.728 -2.653 742 1HG2 ILE 95 HG21 ILE 95 4.830 -12.237 1.044 743 2HG2 ILE 95 HG23 ILE 95 4.285 -13.854 0.605 744 3HG2 ILE 95 HG22 ILE 95 5.794 -13.646 1.488 745 1HD1 ILE 95 HD13 ILE 95 4.892 -15.111 -2.018 746 2HD1 ILE 95 HD12 ILE 95 3.520 -14.483 -1.106 747 3HD1 ILE 95 HD11 ILE 95 3.591 -14.262 -2.853 748 H ILE 96 HN ILE 96 8.591 -13.218 0.684 749 HA ILE 96 HA ILE 96 8.055 -12.168 3.342 750 HB ILE 96 HB ILE 96 10.171 -13.967 2.158 751 1HG1 ILE 96 HG12 ILE 96 8.405 -14.579 4.504 752 2HG1 ILE 96 HG11 ILE 96 7.704 -14.594 2.885 753 1HG2 ILE 96 HG23 ILE 96 10.092 -12.672 4.881 754 2HG2 ILE 96 HG22 ILE 96 10.858 -14.242 4.644 755 3HG2 ILE 96 HG21 ILE 96 11.458 -12.829 3.775 756 1HD1 ILE 96 HD13 ILE 96 10.266 -16.071 3.476 757 2HD1 ILE 96 HD12 ILE 96 8.697 -16.813 3.791 758 3HD1 ILE 96 HD11 ILE 96 9.128 -16.325 2.152 759 H ALA 97 HN ALA 97 9.861 -11.099 0.648 760 HA ALA 97 HA ALA 97 12.019 -9.758 1.956 761 1HB ALA 97 HB3 ALA 97 10.594 -9.231 -0.655 762 2HB ALA 97 HB2 ALA 97 12.001 -8.306 -0.131 763 3HB ALA 97 HB1 ALA 97 12.143 -10.041 -0.418 764 H ALA 98 HN ALA 98 8.742 -8.647 1.087 765 HA ALA 98 HA ALA 98 9.137 -5.968 2.106 766 1HB ALA 98 HB3 ALA 98 7.181 -6.949 0.616 767 2HB ALA 98 HB2 ALA 98 6.443 -7.286 2.183 768 3HB ALA 98 HB1 ALA 98 6.860 -5.630 1.743 769 H ALA 99 HN ALA 99 7.314 -8.730 3.425 770 HA ALA 99 HA ALA 99 6.863 -7.602 5.950 771 1HB ALA 99 HB1 ALA 99 7.104 -10.466 5.015 772 2HB ALA 99 HB3 ALA 99 6.759 -10.074 6.699 773 3HB ALA 99 HB2 ALA 99 5.644 -9.568 5.430 774 H GLN 100 HN GLN 100 9.770 -9.070 4.591 775 HA GLN 100 HA GLN 100 11.151 -9.735 6.981 776 1HB GLN 100 HB2 GLN 100 11.902 -9.175 4.225 777 2HB GLN 100 HB1 GLN 100 13.056 -8.451 5.340 778 1HG GLN 100 HG2 GLN 100 13.375 -10.588 6.468 779 2HG GLN 100 HG1 GLN 100 12.133 -11.336 5.464 780 1HE2 GLN 100 HE22 GLN 100 14.760 -10.291 2.713 781 2HE2 GLN 100 HE21 GLN 100 13.521 -9.305 3.324 782 H ALA 101 HN ALA 101 10.357 -6.732 5.436 783 HA ALA 101 HA ALA 101 11.832 -5.092 7.395 784 1HB ALA 101 HB3 ALA 101 10.572 -4.670 4.824 785 2HB ALA 101 HB2 ALA 101 9.876 -3.565 6.006 786 3HB ALA 101 HB1 ALA 101 11.614 -3.565 5.721 787 H GLY 102 HN GLY 102 8.730 -6.450 6.717 788 1HA GLY 102 HA2 GLY 102 6.929 -6.866 8.120 789 2HA GLY 102 HA1 GLY 102 7.859 -6.152 9.417 790 H ALA 103 HN ALA 103 5.991 -5.113 6.474 791 HA ALA 103 HA ALA 103 5.521 -2.531 7.887 792 1HB ALA 103 HB1 ALA 103 4.586 -3.660 5.241 793 2HB ALA 103 HB3 ALA 103 4.163 -2.058 5.823 794 3HB ALA 103 HB2 ALA 103 5.818 -2.450 5.481 795 H SER 104 HN SER 104 2.983 -3.334 6.009 796 HA SER 104 HA SER 104 1.219 -3.923 8.329 797 1HB SER 104 HB2 SER 104 -0.549 -3.121 7.086 798 2HB SER 104 HB1 SER 104 0.756 -2.220 6.329 799 HG SER 104 HG SER 104 -0.518 -3.258 4.772 800 H GLY 105 HN GLY 105 1.993 -5.091 5.122 801 1HA GLY 105 HA2 GLY 105 2.277 -7.809 5.587 802 2HA GLY 105 HA1 GLY 105 0.547 -7.591 5.352 803 OH TYR 106 OH TYR 106 1.199 -13.193 -2.537 804 H TYR 106 HN TYR 106 1.131 -9.013 3.380 805 HA TYR 106 HA TYR 106 1.794 -7.199 1.096 806 1HB TYR 106 HB2 TYR 106 3.592 -8.447 0.570 807 2HB TYR 106 HB1 TYR 106 3.272 -9.522 1.931 808 HD1 TYR 106 HD1 TYR 106 2.289 -8.862 -1.648 809 HD2 TYR 106 HD2 TYR 106 2.416 -11.701 1.579 810 HE1 TYR 106 HE1 TYR 106 1.582 -10.669 -3.181 811 HE2 TYR 106 HE2 TYR 106 1.706 -13.493 0.035 812 HH TYR 106 HH TYR 106 1.346 -12.885 -3.434 813 H VAL 107 HN VAL 107 0.738 -7.684 -0.840 814 HA VAL 107 HA VAL 107 -1.283 -9.849 -0.811 815 HB VAL 107 HB VAL 107 -2.380 -7.722 0.017 816 1HG1 VAL 107 HG12 VAL 107 -0.883 -6.298 -1.530 817 2HG1 VAL 107 HG11 VAL 107 -1.989 -6.752 -2.822 818 3HG1 VAL 107 HG13 VAL 107 -2.584 -5.842 -1.436 819 1HG2 VAL 107 HG22 VAL 107 -3.230 -8.861 -2.664 820 2HG2 VAL 107 HG21 VAL 107 -3.708 -9.446 -1.073 821 3HG2 VAL 107 HG23 VAL 107 -4.262 -7.869 -1.632 822 H VAL 108 HN VAL 108 -1.452 -10.747 -2.855 823 HA VAL 108 HA VAL 108 0.363 -9.683 -4.879 824 HB VAL 108 HB VAL 108 0.070 -12.138 -4.580 825 1HG1 VAL 108 HG11 VAL 108 -2.549 -11.618 -4.223 826 2HG1 VAL 108 HG13 VAL 108 -2.581 -12.051 -5.932 827 3HG1 VAL 108 HG12 VAL 108 -1.963 -13.197 -4.743 828 1HG2 VAL 108 HG21 VAL 108 0.557 -10.938 -6.854 829 2HG2 VAL 108 HG23 VAL 108 0.137 -12.651 -6.873 830 3HG2 VAL 108 HG22 VAL 108 -1.080 -11.439 -7.275 831 H LYS 109 HN LYS 109 -0.446 -9.062 -7.070 832 HA LYS 109 HA LYS 109 -3.289 -8.146 -7.061 833 1HB LYS 109 HB2 LYS 109 -2.675 -5.981 -7.281 834 2HB LYS 109 HB1 LYS 109 -1.049 -6.494 -6.858 835 1HG LYS 109 HG2 LYS 109 -0.579 -6.899 -9.283 836 2HG LYS 109 HG1 LYS 109 -2.178 -6.251 -9.667 837 1HD LYS 109 HD2 LYS 109 -1.206 -4.221 -9.726 838 2HD LYS 109 HD1 LYS 109 -1.076 -4.342 -7.970 839 1HE LYS 109 HE2 LYS 109 1.001 -5.192 -10.007 840 2HE LYS 109 HE1 LYS 109 1.128 -3.859 -8.858 841 1HZ LYS 109 HZ3 LYS 109 0.634 -6.601 -7.900 842 2HZ LYS 109 HZ2 LYS 109 2.213 -6.107 -8.290 843 3HZ LYS 109 HZ1 LYS 109 1.338 -5.292 -7.081 844 HA PRO 110 HA PRO 110 -4.290 -6.680 -8.782 845 1HB PRO 110 HB2 PRO 110 -6.415 -7.732 -10.392 846 2HB PRO 110 HB1 PRO 110 -5.457 -6.275 -10.690 847 1HG PRO 110 HG2 PRO 110 -5.382 -8.694 -12.192 848 2HG PRO 110 HG1 PRO 110 -4.296 -7.307 -12.359 849 1HD PRO 110 HD2 PRO 110 -3.768 -9.920 -11.123 850 2HD PRO 110 HD1 PRO 110 -2.617 -8.654 -11.598 851 H PHE 111 HN PHE 111 -5.497 -6.948 -6.910 852 HA PHE 111 HA PHE 111 -6.481 -9.656 -6.238 853 1HB PHE 111 HB2 PHE 111 -7.245 -8.273 -4.107 854 2HB PHE 111 HB1 PHE 111 -5.557 -8.726 -4.304 855 HD1 PHE 111 HD2 PHE 111 -7.836 -5.965 -5.551 856 HD2 PHE 111 HD1 PHE 111 -4.074 -7.026 -3.785 857 HE1 PHE 111 HE2 PHE 111 -7.143 -3.605 -5.593 858 HE2 PHE 111 HE1 PHE 111 -3.402 -4.654 -3.800 859 HZ PHE 111 HZ PHE 111 -4.932 -2.936 -4.706 860 H THR 112 HN THR 112 -8.685 -9.441 -4.939 861 HA THR 112 HA THR 112 -10.621 -7.996 -6.702 862 HB THR 112 HB THR 112 -11.646 -10.093 -4.886 863 HG1 THR 112 HG1 THR 112 -9.490 -10.582 -6.372 864 1HG2 THR 112 HG23 THR 112 -12.878 -8.806 -6.718 865 2HG2 THR 112 HG22 THR 112 -11.970 -9.781 -7.874 866 3HG2 THR 112 HG21 THR 112 -13.072 -10.558 -6.737 867 H ALA 113 HN ALA 113 -12.158 -6.676 -5.573 868 HA ALA 113 HA ALA 113 -11.280 -5.429 -3.224 869 1HB ALA 113 HB3 ALA 113 -13.423 -5.045 -4.874 870 2HB ALA 113 HB2 ALA 113 -14.230 -5.682 -3.441 871 3HB ALA 113 HB1 ALA 113 -13.233 -4.232 -3.321 872 H ALA 114 HN ALA 114 -12.539 -8.564 -3.574 873 HA ALA 114 HA ALA 114 -13.445 -8.766 -0.787 874 1HB ALA 114 HB3 ALA 114 -13.030 -10.856 -2.953 875 2HB ALA 114 HB2 ALA 114 -13.657 -11.213 -1.343 876 3HB ALA 114 HB1 ALA 114 -14.570 -10.171 -2.434 877 H THR 115 HN THR 115 -10.617 -9.607 -2.750 878 HA THR 115 HA THR 115 -9.283 -10.984 -0.574 879 HB THR 115 HB THR 115 -7.418 -9.836 -2.452 880 HG1 THR 115 HG1 THR 115 -8.580 -11.322 -4.132 881 1HG2 THR 115 HG23 THR 115 -8.427 -12.655 -2.010 882 2HG2 THR 115 HG22 THR 115 -6.961 -12.219 -2.886 883 3HG2 THR 115 HG21 THR 115 -7.084 -11.898 -1.156 884 H LEU 116 HN LEU 116 -8.606 -7.715 -2.097 885 HA LEU 116 HA LEU 116 -6.865 -6.869 -0.067 886 1HB LEU 116 HB2 LEU 116 -8.455 -5.572 -2.108 887 2HB LEU 116 HB1 LEU 116 -8.545 -4.635 -0.620 888 HG LEU 116 HG LEU 116 -6.045 -5.427 -2.139 889 1HD1 LEU 116 HD13 LEU 116 -7.342 -3.457 -2.934 890 2HD1 LEU 116 HD12 LEU 116 -7.169 -2.730 -1.343 891 3HD1 LEU 116 HD11 LEU 116 -5.745 -3.016 -2.343 892 1HD2 LEU 116 HD21 LEU 116 -6.415 -4.707 0.688 893 2HD2 LEU 116 HD23 LEU 116 -5.022 -5.435 -0.113 894 3HD2 LEU 116 HD22 LEU 116 -5.252 -3.688 -0.161 895 H GLU 117 HN GLU 117 -10.438 -6.867 -0.073 896 HA GLU 117 HA GLU 117 -10.804 -5.520 2.389 897 1HB GLU 117 HB2 GLU 117 -12.724 -5.915 1.010 898 2HB GLU 117 HB1 GLU 117 -12.443 -7.655 1.014 899 1HG GLU 117 HG2 GLU 117 -12.751 -6.383 3.680 900 2HG GLU 117 HG1 GLU 117 -14.201 -6.440 2.677 901 H GLU 118 HN GLU 118 -10.698 -9.028 1.774 902 HA GLU 118 HA GLU 118 -10.875 -9.979 4.383 903 1HB GLU 118 HB2 GLU 118 -10.628 -11.339 2.242 904 2HB GLU 118 HB1 GLU 118 -8.889 -11.073 2.378 905 1HG GLU 118 HG2 GLU 118 -8.869 -12.919 3.686 906 2HG GLU 118 HG1 GLU 118 -9.589 -11.894 4.929 907 H LYS 119 HN LYS 119 -7.852 -9.029 2.708 908 HA LYS 119 HA LYS 119 -6.132 -9.418 4.938 909 1HB LYS 119 HB2 LYS 119 -5.877 -8.450 2.306 910 2HB LYS 119 HB1 LYS 119 -5.320 -7.138 3.344 911 1HG LYS 119 HG2 LYS 119 -3.419 -8.554 2.887 912 2HG LYS 119 HG1 LYS 119 -3.887 -8.810 4.568 913 1HD LYS 119 HD2 LYS 119 -4.152 -11.004 4.156 914 2HD LYS 119 HD1 LYS 119 -5.401 -10.628 2.969 915 1HE LYS 119 HE2 LYS 119 -3.656 -11.901 1.863 916 2HE LYS 119 HE1 LYS 119 -3.583 -10.240 1.276 917 1HZ LYS 119 HZ3 LYS 119 -1.968 -11.076 3.594 918 2HZ LYS 119 HZ2 LYS 119 -1.426 -11.393 2.016 919 3HZ LYS 119 HZ1 LYS 119 -1.704 -9.793 2.516 920 H LEU 120 HN LEU 120 -8.050 -6.595 3.940 921 HA LEU 120 HA LEU 120 -7.049 -4.708 5.774 922 1HB LEU 120 HB2 LEU 120 -8.981 -4.600 3.920 923 2HB LEU 120 HB1 LEU 120 -10.005 -4.799 5.341 924 HG LEU 120 HG LEU 120 -8.410 -2.904 6.324 925 1HD1 LEU 120 HD11 LEU 120 -7.110 -3.017 4.081 926 2HD1 LEU 120 HD13 LEU 120 -8.477 -2.129 3.409 927 3HD1 LEU 120 HD12 LEU 120 -7.523 -1.424 4.714 928 1HD2 LEU 120 HD23 LEU 120 -10.830 -2.728 4.558 929 2HD2 LEU 120 HD22 LEU 120 -10.679 -2.385 6.281 930 3HD2 LEU 120 HD21 LEU 120 -10.058 -1.235 5.096 931 H ASN 121 HN ASN 121 -10.106 -6.506 6.307 932 HA ASN 121 HA ASN 121 -10.404 -5.977 9.019 933 1HB ASN 121 HB2 ASN 121 -11.828 -7.454 7.352 934 2HB ASN 121 HB1 ASN 121 -10.908 -8.776 8.072 935 1HD2 ASN 121 HD22 ASN 121 -13.922 -8.351 10.193 936 2HD2 ASN 121 HD21 ASN 121 -13.599 -8.845 8.601 937 H LYS 122 HN LYS 122 -8.538 -8.655 7.592 938 HA LYS 122 HA LYS 122 -7.634 -9.925 9.899 939 1HB LYS 122 HB2 LYS 122 -7.050 -10.264 7.323 940 2HB LYS 122 HB1 LYS 122 -5.612 -9.346 7.771 941 1HG LYS 122 HG2 LYS 122 -5.154 -10.952 9.592 942 2HG LYS 122 HG1 LYS 122 -6.583 -11.877 9.132 943 1HD LYS 122 HD2 LYS 122 -5.393 -11.812 6.739 944 2HD LYS 122 HD1 LYS 122 -3.952 -11.636 7.741 945 1HE LYS 122 HE2 LYS 122 -4.749 -13.645 9.065 946 2HE LYS 122 HE1 LYS 122 -5.987 -13.876 7.831 947 1HZ LYS 122 HZ3 LYS 122 -4.226 -14.003 6.164 948 2HZ LYS 122 HZ2 LYS 122 -3.052 -13.838 7.380 949 3HZ LYS 122 HZ1 LYS 122 -4.053 -15.210 7.343 950 H ILE 123 HN ILE 123 -6.403 -6.943 8.439 951 HA ILE 123 HA ILE 123 -4.350 -6.603 10.509 952 HB ILE 123 HB ILE 123 -5.393 -4.698 8.386 953 1HG1 ILE 123 HG12 ILE 123 -2.791 -6.231 8.372 954 2HG1 ILE 123 HG11 ILE 123 -4.267 -6.897 7.672 955 1HG2 ILE 123 HG21 ILE 123 -4.238 -3.577 10.329 956 2HG2 ILE 123 HG23 ILE 123 -2.818 -4.556 9.982 957 3HG2 ILE 123 HG22 ILE 123 -3.395 -3.385 8.801 958 1HD1 ILE 123 HD12 ILE 123 -3.625 -4.113 6.888 959 2HD1 ILE 123 HD11 ILE 123 -2.525 -5.349 6.277 960 3HD1 ILE 123 HD13 ILE 123 -4.247 -5.443 5.910 961 H PHE 124 HN PHE 124 -7.176 -4.692 9.498 962 HA PHE 124 HA PHE 124 -7.238 -2.999 11.749 963 1HB PHE 124 HB2 PHE 124 -9.367 -3.888 9.808 964 2HB PHE 124 HB1 PHE 124 -9.678 -2.713 11.073 965 HD1 PHE 124 HD2 PHE 124 -6.219 -2.516 9.842 966 HD2 PHE 124 HD1 PHE 124 -10.268 -1.294 9.049 967 HE1 PHE 124 HE2 PHE 124 -5.392 -0.688 8.435 968 HE2 PHE 124 HE1 PHE 124 -9.412 0.543 7.628 969 HZ PHE 124 HZ PHE 124 -6.996 0.835 7.330 970 H GLU 125 HN GLU 125 -7.562 -6.269 11.856 971 HA GLU 125 HA GLU 125 -9.734 -6.430 13.798 972 1HB GLU 125 HB2 GLU 125 -8.959 -8.404 12.421 973 2HB GLU 125 HB1 GLU 125 -7.457 -8.395 13.347 974 1HG GLU 125 HG2 GLU 125 -8.687 -8.766 15.422 975 2HG GLU 125 HG1 GLU 125 -10.223 -8.674 14.558 976 H LYS 126 HN LYS 126 -6.335 -5.771 13.755 977 HA LYS 126 HA LYS 126 -6.129 -5.856 16.712 978 1HB LYS 126 HB2 LYS 126 -4.145 -5.409 14.469 979 2HB LYS 126 HB1 LYS 126 -3.731 -5.067 16.149 980 1HG LYS 126 HG2 LYS 126 -3.054 -7.362 15.471 981 2HG LYS 126 HG1 LYS 126 -4.243 -7.378 16.775 982 1HD LYS 126 HD2 LYS 126 -5.985 -8.052 15.348 983 2HD LYS 126 HD1 LYS 126 -5.128 -7.523 13.900 984 1HE LYS 126 HE2 LYS 126 -3.825 -9.420 13.810 985 2HE LYS 126 HE1 LYS 126 -3.831 -9.633 15.561 986 1HZ LYS 126 HZ2 LYS 126 -6.332 -10.090 15.199 987 2HZ LYS 126 HZ1 LYS 126 -5.876 -10.404 13.591 988 3HZ LYS 126 HZ3 LYS 126 -5.206 -11.317 14.855 989 H LEU 127 HN LEU 127 -6.222 -3.638 13.971 990 HA LEU 127 HA LEU 127 -5.708 -1.252 15.542 991 1HB LEU 127 HB2 LEU 127 -5.667 -1.711 12.868 992 2HB LEU 127 HB1 LEU 127 -7.294 -1.045 13.018 993 HG LEU 127 HG LEU 127 -6.257 0.865 14.353 994 1HD1 LEU 127 HD12 LEU 127 -3.947 -0.771 14.091 995 2HD1 LEU 127 HD11 LEU 127 -3.667 0.666 13.110 996 3HD1 LEU 127 HD13 LEU 127 -4.056 0.830 14.821 997 1HD2 LEU 127 HD22 LEU 127 -5.875 0.315 11.438 998 2HD2 LEU 127 HD21 LEU 127 -6.868 1.540 12.226 999 3HD2 LEU 127 HD23 LEU 127 -5.122 1.760 12.112 1000 H GLY 128 HN GLY 128 -8.463 -3.269 14.917 1001 1HA GLY 128 HA2 GLY 128 -10.732 -3.032 15.494 1002 2HA GLY 128 HA1 GLY 128 -10.073 -2.295 16.955 1003 H MET 129 HN MET 129 -11.397 -1.653 13.778 1004 HA MET 129 HA MET 129 -11.844 1.182 14.610 1005 1HB MET 129 HB2 MET 129 -10.419 0.144 12.264 1006 2HB MET 129 HB1 MET 129 -11.700 1.281 11.851 1007 1HG MET 129 HG2 MET 129 -9.568 1.813 13.937 1008 2HG MET 129 HG1 MET 129 -9.485 2.382 12.271 1009 1HE MET 129 HE2 MET 129 -10.252 4.455 11.504 1010 2HE MET 129 HE1 MET 129 -11.767 3.613 11.190 1011 3HE MET 129 HE3 MET 129 -11.781 5.223 11.923 Start of MODEL 8 Raw file had 1011 H/Q atoms Start of MODEL 8 1 H ALA 2 HN ALA 2 -15.257 -0.485 7.511 2 HA ALA 2 HA ALA 2 -13.897 0.155 10.058 3 1HB ALA 2 HB1 ALA 2 -12.528 -0.879 7.705 4 2HB ALA 2 HB3 ALA 2 -11.945 0.730 8.129 5 3HB ALA 2 HB2 ALA 2 -11.888 -0.571 9.318 6 H ASP 3 HN ASP 3 -12.610 2.392 9.541 7 HA ASP 3 HA ASP 3 -14.478 4.413 9.153 8 1HB ASP 3 HB2 ASP 3 -11.513 4.251 8.821 9 2HB ASP 3 HB1 ASP 3 -12.324 5.683 8.186 10 H LYS 4 HN LYS 4 -15.372 5.460 7.349 11 HA LYS 4 HA LYS 4 -15.005 4.065 4.776 12 1HB LYS 4 HB2 LYS 4 -16.845 6.401 5.269 13 2HB LYS 4 HB1 LYS 4 -16.963 5.163 4.023 14 1HG LYS 4 HG2 LYS 4 -16.956 3.715 6.412 15 2HG LYS 4 HG1 LYS 4 -17.965 5.119 6.761 16 1HD LYS 4 HD2 LYS 4 -19.459 3.504 5.854 17 2HD LYS 4 HD1 LYS 4 -19.148 4.621 4.527 18 1HE LYS 4 HE2 LYS 4 -18.589 2.786 3.332 19 2HE LYS 4 HE1 LYS 4 -17.098 2.780 4.275 20 1HZ LYS 4 HZ2 LYS 4 -19.315 1.597 5.657 21 2HZ LYS 4 HZ1 LYS 4 -18.936 0.788 4.213 22 3HZ LYS 4 HZ3 LYS 4 -17.747 0.993 5.405 23 H GLU 5 HN GLU 5 -13.234 6.367 6.197 24 HA GLU 5 HA GLU 5 -12.668 7.709 3.592 25 1HB GLU 5 HB2 GLU 5 -13.267 9.049 6.230 26 2HB GLU 5 HB1 GLU 5 -12.351 9.860 4.960 27 1HG GLU 5 HG2 GLU 5 -14.183 9.683 3.412 28 2HG GLU 5 HG1 GLU 5 -15.073 8.618 4.500 29 H LEU 6 HN LEU 6 -11.113 5.650 4.644 30 HA LEU 6 HA LEU 6 -8.919 6.798 6.154 31 1HB LEU 6 HB2 LEU 6 -9.616 4.441 6.422 32 2HB LEU 6 HB1 LEU 6 -9.185 4.126 4.749 33 HG LEU 6 HG LEU 6 -6.835 4.704 5.241 34 1HD1 LEU 6 HD11 LEU 6 -8.050 5.345 7.909 35 2HD1 LEU 6 HD13 LEU 6 -6.395 4.741 7.848 36 3HD1 LEU 6 HD12 LEU 6 -6.823 6.229 7.003 37 1HD2 LEU 6 HD21 LEU 6 -8.342 2.528 6.543 38 2HD2 LEU 6 HD23 LEU 6 -6.914 2.454 5.516 39 3HD2 LEU 6 HD22 LEU 6 -6.749 2.830 7.232 40 H LYS 7 HN LYS 7 -7.097 7.745 5.220 41 HA LYS 7 HA LYS 7 -7.154 8.246 2.366 42 1HB LYS 7 HB2 LYS 7 -5.320 9.010 4.614 43 2HB LYS 7 HB1 LYS 7 -4.854 9.314 2.944 44 1HG LYS 7 HG2 LYS 7 -6.883 10.608 2.559 45 2HG LYS 7 HG1 LYS 7 -7.454 10.242 4.186 46 1HD LYS 7 HD2 LYS 7 -6.374 12.075 4.921 47 2HD LYS 7 HD1 LYS 7 -4.850 11.292 4.500 48 1HE LYS 7 HE2 LYS 7 -5.159 12.141 2.145 49 2HE LYS 7 HE1 LYS 7 -6.537 13.075 2.727 50 1HZ LYS 7 HZ3 LYS 7 -3.775 13.273 3.798 51 2HZ LYS 7 HZ2 LYS 7 -4.469 14.363 2.696 52 3HZ LYS 7 HZ1 LYS 7 -5.103 14.218 4.265 53 H PHE 8 HN PHE 8 -6.199 7.122 0.781 54 HA PHE 8 HA PHE 8 -4.128 5.107 1.490 55 1HB PHE 8 HB2 PHE 8 -6.129 5.191 -0.780 56 2HB PHE 8 HB1 PHE 8 -4.845 4.011 -0.658 57 HD1 PHE 8 HD1 PHE 8 -7.870 5.324 1.010 58 HD2 PHE 8 HD2 PHE 8 -5.076 2.089 0.756 59 HE1 PHE 8 HE1 PHE 8 -9.320 3.953 2.470 60 HE2 PHE 8 HE2 PHE 8 -6.529 0.710 2.231 61 HZ PHE 8 HZ PHE 8 -8.656 1.649 3.084 62 H LEU 9 HN LEU 9 -2.356 4.881 0.019 63 HA LEU 9 HA LEU 9 -2.010 7.159 -1.901 64 1HB LEU 9 HB2 LEU 9 -0.514 7.564 -0.037 65 2HB LEU 9 HB1 LEU 9 0.067 5.904 -0.080 66 HG LEU 9 HG LEU 9 1.055 6.266 -2.296 67 1HD1 LEU 9 HD13 LEU 9 -0.359 8.889 -2.013 68 2HD1 LEU 9 HD12 LEU 9 1.086 8.781 -3.012 69 3HD1 LEU 9 HD11 LEU 9 -0.330 7.800 -3.395 70 1HD2 LEU 9 HD21 LEU 9 1.731 8.071 -0.024 71 2HD2 LEU 9 HD23 LEU 9 2.688 6.798 -0.781 72 3HD2 LEU 9 HD22 LEU 9 2.524 8.365 -1.569 73 H VAL 10 HN VAL 10 -2.171 6.229 -3.910 74 HA VAL 10 HA VAL 10 -1.219 3.439 -4.258 75 HB VAL 10 HB VAL 10 -2.262 3.854 -6.606 76 1HG1 VAL 10 HG11 VAL 10 -3.763 3.639 -4.001 77 2HG1 VAL 10 HG13 VAL 10 -4.599 3.548 -5.551 78 3HG1 VAL 10 HG12 VAL 10 -3.363 2.357 -5.143 79 1HG2 VAL 10 HG23 VAL 10 -2.427 6.322 -6.345 80 2HG2 VAL 10 HG22 VAL 10 -3.998 5.583 -6.642 81 3HG2 VAL 10 HG21 VAL 10 -3.554 6.084 -5.015 82 H VAL 11 HN VAL 11 0.942 3.347 -4.713 83 HA VAL 11 HA VAL 11 2.092 5.381 -6.524 84 HB VAL 11 HB VAL 11 3.480 3.449 -4.658 85 1HG1 VAL 11 HG13 VAL 11 4.415 5.277 -6.792 86 2HG1 VAL 11 HG12 VAL 11 5.287 5.394 -5.264 87 3HG1 VAL 11 HG11 VAL 11 5.195 3.850 -6.110 88 1HG2 VAL 11 HG22 VAL 11 2.265 6.050 -4.280 89 2HG2 VAL 11 HG21 VAL 11 2.998 4.987 -3.080 90 3HG2 VAL 11 HG23 VAL 11 3.999 6.129 -3.975 91 H ASP 12 HN ASP 12 0.624 3.696 -7.951 92 HA ASP 12 HA ASP 12 2.347 1.442 -8.839 93 1HB ASP 12 HB2 ASP 12 0.326 0.848 -10.225 94 2HB ASP 12 HB1 ASP 12 0.023 0.861 -8.487 95 H ASP 13 HN ASP 13 3.223 1.375 -10.921 96 HA ASP 13 HA ASP 13 3.520 3.942 -12.281 97 1HB ASP 13 HB2 ASP 13 5.389 2.334 -12.189 98 2HB ASP 13 HB1 ASP 13 4.427 1.159 -13.087 99 H PHE 14 HN PHE 14 3.287 1.367 -14.496 100 HA PHE 14 HA PHE 14 1.854 1.120 -16.347 101 1HB PHE 14 HB2 PHE 14 0.501 0.549 -13.937 102 2HB PHE 14 HB1 PHE 14 -0.634 1.491 -14.898 103 HD1 PHE 14 HD2 PHE 14 -0.169 0.780 -17.632 104 HD2 PHE 14 HD1 PHE 14 0.047 -1.731 -14.150 105 HE1 PHE 14 HE2 PHE 14 -0.632 -1.210 -19.037 106 HE2 PHE 14 HE1 PHE 14 -0.416 -3.718 -15.558 107 HZ PHE 14 HZ PHE 14 -0.755 -3.458 -18.000 108 H SER 15 HN SER 15 -0.740 2.239 -16.765 109 HA SER 15 HA SER 15 -0.293 5.181 -16.647 110 1HB SER 15 HB2 SER 15 0.447 4.059 -18.888 111 2HB SER 15 HB1 SER 15 -1.281 3.888 -19.183 112 HG SER 15 HG SER 15 0.262 6.048 -19.450 113 H THR 16 HN THR 16 -2.168 2.854 -15.642 114 HA THR 16 HA THR 16 -4.563 4.503 -15.561 115 HB THR 16 HB THR 16 -5.312 3.687 -17.581 116 HG1 THR 16 HG1 THR 16 -5.803 1.418 -15.956 117 1HG2 THR 16 HG22 THR 16 -3.459 1.390 -16.997 118 2HG2 THR 16 HG21 THR 16 -4.677 1.250 -18.265 119 3HG2 THR 16 HG23 THR 16 -3.443 2.507 -18.362 120 H MET 17 HN MET 17 -2.539 2.141 -14.387 121 HA MET 17 HA MET 17 -4.188 0.326 -13.009 122 1HB MET 17 HB2 MET 17 -1.703 0.201 -13.078 123 2HB MET 17 HB1 MET 17 -1.622 1.587 -11.990 124 1HG MET 17 HG2 MET 17 -2.069 0.312 -10.178 125 2HG MET 17 HG1 MET 17 -3.396 -0.514 -10.990 126 1HE MET 17 HE1 MET 17 -3.339 -2.623 -12.168 127 2HE MET 17 HE3 MET 17 -2.229 -3.866 -11.574 128 3HE MET 17 HE2 MET 17 -3.175 -2.909 -10.438 129 NH1 ARG 18 NH2 ARG 18 -4.876 8.360 -12.349 130 NH2 ARG 18 NH1 ARG 18 -3.987 9.141 -14.275 131 H ARG 18 HN ARG 18 -3.111 3.575 -11.981 132 HA ARG 18 HA ARG 18 -4.166 3.694 -9.412 133 1HB ARG 18 HB2 ARG 18 -4.925 6.080 -10.886 134 2HB ARG 18 HB1 ARG 18 -3.739 5.896 -9.601 135 1HG ARG 18 HG2 ARG 18 -2.102 5.034 -11.258 136 2HG ARG 18 HG1 ARG 18 -3.292 5.275 -12.537 137 1HD ARG 18 HD2 ARG 18 -3.036 7.681 -10.960 138 2HD ARG 18 HD1 ARG 18 -1.455 7.172 -11.552 139 HE ARG 18 HE ARG 18 -2.314 7.350 -13.833 140 1HH1 ARG 18 HH21 ARG 18 -4.817 7.764 -11.548 141 2HH1 ARG 18 HH22 ARG 18 -5.672 8.951 -12.477 142 1HH2 ARG 18 HH11 ARG 18 -3.248 9.146 -14.949 143 2HH2 ARG 18 HH12 ARG 18 -4.784 9.732 -14.403 144 NH1 ARG 19 NH2 ARG 19 -5.426 6.587 -17.489 145 NH2 ARG 19 NH1 ARG 19 -7.501 6.305 -18.342 146 H ARG 19 HN ARG 19 -5.929 4.226 -12.462 147 HA ARG 19 HA ARG 19 -8.427 4.882 -11.387 148 1HB ARG 19 HB2 ARG 19 -7.850 3.202 -13.845 149 2HB ARG 19 HB1 ARG 19 -9.392 3.981 -13.488 150 1HG ARG 19 HG2 ARG 19 -8.509 6.142 -13.771 151 2HG ARG 19 HG1 ARG 19 -6.847 5.591 -13.563 152 1HD ARG 19 HD2 ARG 19 -6.965 4.384 -15.704 153 2HD ARG 19 HD1 ARG 19 -8.638 4.902 -15.912 154 HE ARG 19 HE ARG 19 -7.269 7.280 -15.599 155 1HH1 ARG 19 HH21 ARG 19 -4.822 6.694 -16.701 156 2HH1 ARG 19 HH22 ARG 19 -5.046 6.589 -18.415 157 1HH2 ARG 19 HH11 ARG 19 -8.486 6.196 -18.206 158 2HH2 ARG 19 HH12 ARG 19 -7.121 6.307 -19.267 159 H ILE 20 HN ILE 20 -7.267 1.612 -12.255 160 HA ILE 20 HA ILE 20 -9.454 0.094 -11.464 161 HB ILE 20 HB ILE 20 -6.503 -0.373 -11.464 162 1HG1 ILE 20 HG12 ILE 20 -7.171 -2.169 -13.004 163 2HG1 ILE 20 HG11 ILE 20 -8.871 -1.851 -12.655 164 1HG2 ILE 20 HG23 ILE 20 -8.529 -2.096 -10.023 165 2HG2 ILE 20 HG22 ILE 20 -7.051 -2.774 -10.699 166 3HG2 ILE 20 HG21 ILE 20 -6.956 -1.540 -9.446 167 1HD1 ILE 20 HD12 ILE 20 -7.062 0.336 -13.675 168 2HD1 ILE 20 HD11 ILE 20 -7.859 -0.778 -14.786 169 3HD1 ILE 20 HD13 ILE 20 -8.823 0.250 -13.727 170 H VAL 21 HN VAL 21 -6.697 0.845 -9.297 171 HA VAL 21 HA VAL 21 -7.980 -0.130 -6.959 172 HB VAL 21 HB VAL 21 -6.225 1.970 -6.191 173 1HG1 VAL 21 HG11 VAL 21 -5.857 -1.029 -6.465 174 2HG1 VAL 21 HG13 VAL 21 -4.806 0.034 -5.528 175 3HG1 VAL 21 HG12 VAL 21 -6.491 -0.183 -5.053 176 1HG2 VAL 21 HG21 VAL 21 -5.519 1.994 -8.578 177 2HG2 VAL 21 HG23 VAL 21 -4.234 1.423 -7.517 178 3HG2 VAL 21 HG22 VAL 21 -5.166 0.271 -8.473 179 NH1 ARG 22 NH1 ARG 22 -6.672 8.553 -7.231 180 NH2 ARG 22 NH2 ARG 22 -5.307 8.958 -8.987 181 H ARG 22 HN ARG 22 -7.924 3.163 -8.336 182 HA ARG 22 HA ARG 22 -9.115 4.590 -6.242 183 1HB ARG 22 HB2 ARG 22 -8.961 4.849 -9.147 184 2HB ARG 22 HB1 ARG 22 -10.437 5.548 -8.487 185 1HG ARG 22 HG2 ARG 22 -9.095 6.851 -6.873 186 2HG ARG 22 HG1 ARG 22 -7.618 6.163 -7.547 187 1HD ARG 22 HD2 ARG 22 -9.208 7.208 -9.696 188 2HD ARG 22 HD1 ARG 22 -9.047 8.451 -8.456 189 HE ARG 22 HE ARG 22 -6.915 7.477 -10.163 190 1HH1 ARG 22 HH11 ARG 22 -7.509 8.151 -6.860 191 2HH1 ARG 22 HH12 ARG 22 -6.044 9.043 -6.628 192 1HH2 ARG 22 HH21 ARG 22 -5.098 8.867 -9.961 193 2HH2 ARG 22 HH22 ARG 22 -4.678 9.449 -8.384 194 H ASN 23 HN ASN 23 -10.842 2.879 -8.865 195 HA ASN 23 HA ASN 23 -13.465 3.231 -7.831 196 1HB ASN 23 HB2 ASN 23 -12.249 2.115 -10.044 197 2HB ASN 23 HB1 ASN 23 -12.917 0.728 -9.229 198 1HD2 ASN 23 HD22 ASN 23 -15.598 3.651 -10.349 199 2HD2 ASN 23 HD21 ASN 23 -14.051 4.107 -9.820 200 H LEU 24 HN LEU 24 -11.359 0.394 -7.809 201 HA LEU 24 HA LEU 24 -12.725 -1.406 -6.259 202 1HB LEU 24 HB2 LEU 24 -10.344 -1.532 -7.218 203 2HB LEU 24 HB1 LEU 24 -9.830 -0.739 -5.742 204 HG LEU 24 HG LEU 24 -11.556 -3.044 -5.198 205 1HD1 LEU 24 HD11 LEU 24 -8.946 -3.501 -6.669 206 2HD1 LEU 24 HD13 LEU 24 -9.918 -4.754 -5.901 207 3HD1 LEU 24 HD12 LEU 24 -10.554 -3.872 -7.289 208 1HD2 LEU 24 HD22 LEU 24 -8.774 -2.163 -4.390 209 2HD2 LEU 24 HD21 LEU 24 -10.235 -2.190 -3.406 210 3HD2 LEU 24 HD23 LEU 24 -9.456 -3.700 -3.871 211 H LEU 25 HN LEU 25 -10.506 1.024 -4.827 212 HA LEU 25 HA LEU 25 -11.250 0.570 -2.126 213 1HB LEU 25 HB2 LEU 25 -10.043 2.863 -3.632 214 2HB LEU 25 HB1 LEU 25 -10.588 3.147 -1.983 215 HG LEU 25 HG LEU 25 -8.748 0.870 -2.765 216 1HD1 LEU 25 HD12 LEU 25 -8.208 3.726 -2.086 217 2HD1 LEU 25 HD11 LEU 25 -7.126 2.507 -1.414 218 3HD1 LEU 25 HD13 LEU 25 -7.326 2.641 -3.161 219 1HD2 LEU 25 HD22 LEU 25 -10.158 1.593 -0.346 220 2HD2 LEU 25 HD21 LEU 25 -9.123 0.198 -0.644 221 3HD2 LEU 25 HD23 LEU 25 -8.423 1.711 -0.078 222 H LYS 26 HN LYS 26 -12.563 2.875 -4.508 223 HA LYS 26 HA LYS 26 -14.438 4.147 -2.859 224 1HB LYS 26 HB2 LYS 26 -13.797 4.387 -5.460 225 2HB LYS 26 HB1 LYS 26 -15.297 3.473 -5.626 226 1HG LYS 26 HG2 LYS 26 -16.464 5.150 -4.227 227 2HG LYS 26 HG1 LYS 26 -14.966 6.073 -4.097 228 1HD LYS 26 HD2 LYS 26 -15.422 5.519 -6.864 229 2HD LYS 26 HD1 LYS 26 -16.915 6.168 -6.183 230 1HE LYS 26 HE2 LYS 26 -14.179 7.432 -5.855 231 2HE LYS 26 HE1 LYS 26 -15.395 7.959 -7.016 232 1HZ LYS 26 HZ1 LYS 26 -15.812 7.836 -4.080 233 2HZ LYS 26 HZ3 LYS 26 -15.419 9.247 -4.936 234 3HZ LYS 26 HZ2 LYS 26 -16.894 8.458 -5.233 235 H GLU 27 HN GLU 27 -14.707 1.081 -4.627 236 HA GLU 27 HA GLU 27 -17.442 0.612 -3.970 237 1HB GLU 27 HB2 GLU 27 -16.291 -0.603 -5.780 238 2HB GLU 27 HB1 GLU 27 -15.246 -1.380 -4.590 239 1HG GLU 27 HG2 GLU 27 -16.962 -2.704 -3.743 240 2HG GLU 27 HG1 GLU 27 -18.220 -1.585 -4.268 241 H LEU 28 HN LEU 28 -14.585 0.507 -2.112 242 HA LEU 28 HA LEU 28 -15.770 -1.333 -0.103 243 1HB LEU 28 HB2 LEU 28 -13.064 -0.541 -0.872 244 2HB LEU 28 HB1 LEU 28 -13.312 -0.440 0.869 245 HG LEU 28 HG LEU 28 -12.506 -2.688 0.126 246 1HD1 LEU 28 HD12 LEU 28 -14.682 -2.064 1.852 247 2HD1 LEU 28 HD11 LEU 28 -15.090 -3.563 1.020 248 3HD1 LEU 28 HD13 LEU 28 -13.592 -3.447 1.943 249 1HD2 LEU 28 HD22 LEU 28 -14.264 -2.325 -1.965 250 2HD2 LEU 28 HD21 LEU 28 -13.531 -3.868 -1.523 251 3HD2 LEU 28 HD23 LEU 28 -15.142 -3.457 -0.937 252 H GLY 29 HN GLY 29 -16.076 1.846 -0.779 253 1HA GLY 29 HA2 GLY 29 -17.143 3.447 0.628 254 2HA GLY 29 HA1 GLY 29 -16.699 2.453 2.003 255 H PHE 30 HN PHE 30 -14.905 4.196 -0.572 256 HA PHE 30 HA PHE 30 -13.486 5.700 1.534 257 1HB PHE 30 HB2 PHE 30 -12.110 3.741 -0.323 258 2HB PHE 30 HB1 PHE 30 -11.251 5.071 0.444 259 HD1 PHE 30 HD1 PHE 30 -11.727 5.327 3.037 260 HD2 PHE 30 HD2 PHE 30 -12.201 1.696 0.800 261 HE1 PHE 30 HE1 PHE 30 -11.498 4.009 5.124 262 HE2 PHE 30 HE2 PHE 30 -11.985 0.377 2.891 263 HZ PHE 30 HZ PHE 30 -11.634 1.537 5.054 264 H ASN 31 HN ASN 31 -12.859 7.724 0.797 265 HA ASN 31 HA ASN 31 -12.784 8.218 -2.127 266 1HB ASN 31 HB2 ASN 31 -15.139 8.608 -1.362 267 2HB ASN 31 HB1 ASN 31 -14.532 9.842 -0.257 268 1HD2 ASN 31 HD22 ASN 31 -15.161 12.068 -2.968 269 2HD2 ASN 31 HD21 ASN 31 -15.716 11.530 -1.457 270 H ASN 32 HN ASN 32 -10.476 8.304 -1.031 271 HA ASN 32 HA ASN 32 -9.627 11.046 -1.059 272 1HB ASN 32 HB2 ASN 32 -10.686 10.396 1.386 273 2HB ASN 32 HB1 ASN 32 -8.987 9.991 1.630 274 1HD2 ASN 32 HD22 ASN 32 -10.097 13.862 1.526 275 2HD2 ASN 32 HD21 ASN 32 -11.224 12.595 1.520 276 H VAL 33 HN VAL 33 -8.027 10.281 -2.481 277 HA VAL 33 HA VAL 33 -5.812 8.803 -1.190 278 HB VAL 33 HB VAL 33 -6.913 6.931 -2.060 279 1HG1 VAL 33 HG11 VAL 33 -7.760 8.829 -4.220 280 2HG1 VAL 33 HG13 VAL 33 -7.802 7.091 -4.518 281 3HG1 VAL 33 HG12 VAL 33 -8.752 7.784 -3.202 282 1HG2 VAL 33 HG23 VAL 33 -4.539 7.330 -3.027 283 2HG2 VAL 33 HG22 VAL 33 -5.549 6.125 -3.812 284 3HG2 VAL 33 HG21 VAL 33 -5.370 7.725 -4.527 285 H GLU 34 HN GLU 34 -3.796 9.017 -2.345 286 HA GLU 34 HA GLU 34 -3.810 11.135 -4.469 287 1HB GLU 34 HB2 GLU 34 -1.805 10.617 -2.264 288 2HB GLU 34 HB1 GLU 34 -1.494 11.687 -3.624 289 1HG GLU 34 HG2 GLU 34 -4.052 12.348 -2.502 290 2HG GLU 34 HG1 GLU 34 -2.864 12.291 -1.201 291 H GLU 35 HN GLU 35 -1.218 10.843 -5.380 292 HA GLU 35 HA GLU 35 -0.826 7.962 -5.918 293 1HB GLU 35 HB2 GLU 35 -2.483 8.702 -7.592 294 2HB GLU 35 HB1 GLU 35 -1.373 9.966 -8.123 295 1HG GLU 35 HG2 GLU 35 -0.200 7.258 -8.057 296 2HG GLU 35 HG1 GLU 35 -1.498 7.466 -9.225 297 H ALA 36 HN ALA 36 1.178 7.476 -6.949 298 HA ALA 36 HA ALA 36 3.134 9.672 -7.290 299 1HB ALA 36 HB1 ALA 36 3.044 8.156 -4.929 300 2HB ALA 36 HB3 ALA 36 4.344 7.441 -5.881 301 3HB ALA 36 HB2 ALA 36 4.385 9.158 -5.483 302 H GLU 37 HN GLU 37 5.372 8.037 -7.660 303 HA GLU 37 HA GLU 37 4.511 6.169 -9.837 304 1HB GLU 37 HB2 GLU 37 6.856 8.083 -9.970 305 2HB GLU 37 HB1 GLU 37 6.320 6.987 -11.244 306 1HG GLU 37 HG2 GLU 37 4.010 8.378 -10.628 307 2HG GLU 37 HG1 GLU 37 5.261 9.612 -10.478 308 H ASP 38 HN ASP 38 6.488 6.694 -7.076 309 HA ASP 38 HA ASP 38 7.401 3.967 -7.076 310 1HB ASP 38 HB2 ASP 38 9.663 4.142 -7.663 311 2HB ASP 38 HB1 ASP 38 8.894 5.193 -8.849 312 H GLY 39 HN GLY 39 9.387 3.868 -5.358 313 1HA GLY 39 HA2 GLY 39 8.327 4.740 -2.885 314 2HA GLY 39 HA1 GLY 39 9.994 4.221 -3.116 315 H VAL 40 HN VAL 40 10.871 6.235 -4.910 316 HA VAL 40 HA VAL 40 11.452 8.364 -3.080 317 HB VAL 40 HB VAL 40 11.663 8.309 -6.106 318 1HG1 VAL 40 HG11 VAL 40 12.739 10.196 -3.999 319 2HG1 VAL 40 HG13 VAL 40 13.423 10.096 -5.622 320 3HG1 VAL 40 HG12 VAL 40 11.745 10.595 -5.400 321 1HG2 VAL 40 HG22 VAL 40 12.946 6.559 -4.775 322 2HG2 VAL 40 HG21 VAL 40 13.943 7.627 -5.763 323 3HG2 VAL 40 HG23 VAL 40 13.823 7.891 -4.024 324 H ASP 41 HN ASP 41 9.336 8.243 -5.940 325 HA ASP 41 HA ASP 41 8.238 10.824 -5.797 326 1HB ASP 41 HB2 ASP 41 7.795 8.974 -7.524 327 2HB ASP 41 HB1 ASP 41 6.605 8.355 -6.388 328 H ALA 42 HN ALA 42 7.177 7.841 -4.178 329 HA ALA 42 HA ALA 42 5.027 9.011 -2.715 330 1HB ALA 42 HB1 ALA 42 6.206 6.472 -2.901 331 2HB ALA 42 HB3 ALA 42 6.401 6.940 -1.212 332 3HB ALA 42 HB2 ALA 42 4.795 6.905 -1.933 333 H LEU 43 HN LEU 43 8.436 8.448 -1.790 334 HA LEU 43 HA LEU 43 8.522 9.371 0.796 335 1HB LEU 43 HB2 LEU 43 10.450 8.806 -0.960 336 2HB LEU 43 HB1 LEU 43 10.541 10.565 -1.056 337 HG LEU 43 HG LEU 43 10.483 10.398 1.582 338 1HD1 LEU 43 HD13 LEU 43 10.213 7.797 1.207 339 2HD1 LEU 43 HD12 LEU 43 11.966 7.851 1.019 340 3HD1 LEU 43 HD11 LEU 43 11.223 8.399 2.521 341 1HD2 LEU 43 HD22 LEU 43 12.749 10.028 -0.347 342 2HD2 LEU 43 HD21 LEU 43 12.389 11.397 0.705 343 3HD2 LEU 43 HD23 LEU 43 13.087 9.926 1.382 344 H ASN 44 HN ASN 44 8.111 11.339 -2.113 345 HA ASN 44 HA ASN 44 8.241 13.870 -0.686 346 1HB ASN 44 HB2 ASN 44 7.190 13.081 -3.412 347 2HB ASN 44 HB1 ASN 44 7.126 14.736 -2.813 348 1HD2 ASN 44 HD22 ASN 44 10.838 13.092 -3.528 349 2HD2 ASN 44 HD21 ASN 44 9.559 12.071 -3.078 350 H LYS 45 HN LYS 45 5.657 11.696 -1.742 351 HA LYS 45 HA LYS 45 3.540 13.437 -0.718 352 1HB LYS 45 HB2 LYS 45 3.481 10.546 -1.635 353 2HB LYS 45 HB1 LYS 45 2.056 11.516 -1.259 354 1HG LYS 45 HG2 LYS 45 3.965 12.753 -3.155 355 2HG LYS 45 HG1 LYS 45 3.122 11.324 -3.754 356 1HD LYS 45 HD2 LYS 45 0.965 12.316 -3.256 357 2HD LYS 45 HD1 LYS 45 1.737 13.696 -2.474 358 1HE LYS 45 HE2 LYS 45 2.760 14.364 -4.596 359 2HE LYS 45 HE1 LYS 45 2.073 12.949 -5.394 360 1HZ LYS 45 HZ1 LYS 45 0.050 14.367 -4.029 361 2HZ LYS 45 HZ3 LYS 45 0.892 15.431 -5.047 362 3HZ LYS 45 HZ2 LYS 45 0.181 14.028 -5.688 363 H LEU 46 HN LEU 46 4.805 10.222 0.245 364 HA LEU 46 HA LEU 46 3.365 9.704 2.518 365 1HB LEU 46 HB2 LEU 46 6.013 9.012 1.559 366 2HB LEU 46 HB1 LEU 46 6.042 9.223 3.306 367 HG LEU 46 HG LEU 46 5.546 6.889 2.740 368 1HD1 LEU 46 HD13 LEU 46 4.133 8.421 4.526 369 2HD1 LEU 46 HD12 LEU 46 2.839 7.689 3.576 370 3HD1 LEU 46 HD11 LEU 46 4.017 6.666 4.396 371 1HD2 LEU 46 HD23 LEU 46 3.942 8.124 0.718 372 2HD2 LEU 46 HD22 LEU 46 4.323 6.415 0.924 373 3HD2 LEU 46 HD21 LEU 46 2.906 7.103 1.716 374 H GLN 47 HN GLN 47 5.531 12.354 2.015 375 HA GLN 47 HA GLN 47 6.325 13.013 4.633 376 1HB GLN 47 HB2 GLN 47 7.213 14.366 2.899 377 2HB GLN 47 HB1 GLN 47 5.615 14.712 2.240 378 1HG GLN 47 HG2 GLN 47 5.124 16.280 3.879 379 2HG GLN 47 HG1 GLN 47 6.211 15.543 5.055 380 1HE2 GLN 47 HE22 GLN 47 8.711 17.886 4.283 381 2HE2 GLN 47 HE21 GLN 47 7.897 16.976 5.463 382 H ALA 48 HN ALA 48 3.318 13.774 2.920 383 HA ALA 48 HA ALA 48 2.026 15.336 4.832 384 1HB ALA 48 HB3 ALA 48 1.145 13.439 2.732 385 2HB ALA 48 HB2 ALA 48 -0.036 13.766 4.000 386 3HB ALA 48 HB1 ALA 48 0.620 15.094 3.041 387 H GLY 49 HN GLY 49 2.099 11.775 4.624 388 1HA GLY 49 HA2 GLY 49 2.133 10.225 6.413 389 2HA GLY 49 HA1 GLY 49 2.073 11.578 7.544 390 H GLY 50 HN GLY 50 -0.302 12.620 5.891 391 1HA GLY 50 HA2 GLY 50 -2.373 11.658 7.576 392 2HA GLY 50 HA1 GLY 50 -2.640 12.479 6.036 393 OH TYR 51 OH TYR 51 -0.639 11.801 -0.607 394 H TYR 51 HN TYR 51 -0.751 10.056 5.092 395 HA TYR 51 HA TYR 51 -2.933 8.527 3.997 396 1HB TYR 51 HB2 TYR 51 0.035 7.958 4.114 397 2HB TYR 51 HB1 TYR 51 -1.128 7.017 3.189 398 HD1 TYR 51 HD1 TYR 51 -2.756 8.451 1.659 399 HD2 TYR 51 HD2 TYR 51 1.104 9.709 3.044 400 HE1 TYR 51 HE1 TYR 51 -2.647 10.133 -0.161 401 HE2 TYR 51 HE2 TYR 51 1.226 11.386 1.222 402 HH TYR 51 HH TYR 51 0.240 12.185 -0.602 403 H GLY 52 HN GLY 52 -4.111 7.724 5.814 404 1HA GLY 52 HA2 GLY 52 -2.836 6.174 7.883 405 2HA GLY 52 HA1 GLY 52 -4.557 6.151 7.511 406 H PHE 53 HN PHE 53 -2.798 5.646 4.705 407 HA PHE 53 HA PHE 53 -2.289 2.792 4.990 408 1HB PHE 53 HB2 PHE 53 -4.921 3.580 4.522 409 2HB PHE 53 HB1 PHE 53 -4.307 3.163 2.931 410 HD1 PHE 53 HD1 PHE 53 -4.824 1.865 6.387 411 HD2 PHE 53 HD2 PHE 53 -3.868 0.902 2.324 412 HE1 PHE 53 HE1 PHE 53 -5.163 -0.508 6.878 413 HE2 PHE 53 HE2 PHE 53 -4.216 -1.484 2.806 414 HZ PHE 53 HZ PHE 53 -4.855 -2.212 5.093 415 H VAL 54 HN VAL 54 -0.940 2.116 3.256 416 HA VAL 54 HA VAL 54 -0.700 3.995 0.933 417 HB VAL 54 HB VAL 54 1.673 2.604 2.149 418 1HG1 VAL 54 HG12 VAL 54 1.300 3.917 -0.276 419 2HG1 VAL 54 HG11 VAL 54 2.113 5.107 0.740 420 3HG1 VAL 54 HG13 VAL 54 2.848 3.528 0.472 421 1HG2 VAL 54 HG23 VAL 54 0.646 4.224 3.790 422 2HG2 VAL 54 HG22 VAL 54 2.270 4.676 3.274 423 3HG2 VAL 54 HG21 VAL 54 0.868 5.494 2.588 424 H ILE 55 HN ILE 55 -1.202 2.894 -0.863 425 HA ILE 55 HA ILE 55 -0.744 -0.050 -0.928 426 HB ILE 55 HB ILE 55 -2.247 1.703 -2.906 427 1HG1 ILE 55 HG12 ILE 55 -3.410 -0.072 -0.743 428 2HG1 ILE 55 HG11 ILE 55 -3.183 1.663 -0.537 429 1HG2 ILE 55 HG21 ILE 55 -1.403 -0.525 -3.715 430 2HG2 ILE 55 HG23 ILE 55 -2.343 -1.289 -2.434 431 3HG2 ILE 55 HG22 ILE 55 -3.161 -0.396 -3.713 432 1HD1 ILE 55 HD11 ILE 55 -4.666 0.591 -2.929 433 2HD1 ILE 55 HD13 ILE 55 -5.491 0.819 -1.387 434 3HD1 ILE 55 HD12 ILE 55 -4.752 2.197 -2.204 435 H SER 56 HN SER 56 1.611 0.330 -1.168 436 HA SER 56 HA SER 56 2.461 1.584 -3.708 437 1HB SER 56 HB2 SER 56 4.647 1.584 -2.815 438 2HB SER 56 HB1 SER 56 3.624 1.891 -1.415 439 HG SER 56 HG SER 56 5.148 0.245 -0.999 440 H ASP 57 HN ASP 57 3.454 0.437 -5.380 441 HA ASP 57 HA ASP 57 2.969 -2.482 -5.347 442 1HB ASP 57 HB2 ASP 57 3.749 -0.555 -7.554 443 2HB ASP 57 HB1 ASP 57 3.589 -2.296 -7.791 444 CH2 TRP 58 CH2 TRP 58 10.389 -7.434 -0.748 445 H TRP 58 HN TRP 58 4.621 -3.887 -4.965 446 HA TRP 58 HA TRP 58 7.348 -2.788 -4.757 447 1HB TRP 58 HB2 TRP 58 6.389 -4.283 -2.983 448 2HB TRP 58 HB1 TRP 58 6.372 -5.593 -4.157 449 HD1 TRP 58 HD1 TRP 58 9.394 -3.763 -4.983 450 HE1 TRP 58 HE1 TRP 58 11.459 -4.783 -3.863 451 HE3 TRP 58 HE3 TRP 58 7.135 -6.723 -1.479 452 HZ2 TRP 58 HZ2 TRP 58 12.093 -6.606 -1.766 453 HZ3 TRP 58 HZ3 TRP 58 8.508 -8.086 0.070 454 HH2 TRP 58 HH2 TRP 58 10.981 -8.028 -0.074 455 H ASN 59 HN ASN 59 8.393 -2.687 -6.682 456 HA ASN 59 HA ASN 59 8.978 -5.149 -8.102 457 1HB ASN 59 HB2 ASN 59 6.709 -4.348 -9.024 458 2HB ASN 59 HB1 ASN 59 7.600 -3.000 -9.724 459 1HD2 ASN 59 HD22 ASN 59 9.632 -5.890 -11.363 460 2HD2 ASN 59 HD21 ASN 59 9.986 -5.055 -9.928 461 H MET 60 HN MET 60 9.285 -2.817 -10.417 462 HA MET 60 HA MET 60 11.557 -1.406 -9.231 463 1HB MET 60 HB2 MET 60 12.305 -3.803 -9.919 464 2HB MET 60 HB1 MET 60 12.232 -3.173 -11.565 465 1HG MET 60 HG2 MET 60 13.716 -1.280 -10.836 466 2HG MET 60 HG1 MET 60 13.892 -2.083 -9.275 467 1HE MET 60 HE2 MET 60 16.219 -1.538 -9.909 468 2HE MET 60 HE1 MET 60 16.471 -3.096 -9.125 469 3HE MET 60 HE3 MET 60 17.309 -2.715 -10.636 470 HA PRO 61 HA PRO 61 9.509 0.530 -13.040 471 1HB PRO 61 HB2 PRO 61 8.855 2.810 -11.415 472 2HB PRO 61 HB1 PRO 61 7.727 1.690 -12.193 473 1HG PRO 61 HG2 PRO 61 8.318 1.920 -9.379 474 2HG PRO 61 HG1 PRO 61 7.191 0.806 -10.164 475 1HD PRO 61 HD2 PRO 61 9.754 0.190 -8.989 476 2HD PRO 61 HD1 PRO 61 8.609 -0.911 -9.776 477 H ASN 62 HN ASN 62 11.201 1.744 -10.224 478 HA ASN 62 HA ASN 62 13.487 2.687 -11.758 479 1HB ASN 62 HB2 ASN 62 11.713 4.674 -10.288 480 2HB ASN 62 HB1 ASN 62 13.327 5.035 -10.903 481 1HD2 ASN 62 HD22 ASN 62 10.200 4.690 -13.533 482 2HD2 ASN 62 HD21 ASN 62 10.024 4.135 -11.939 483 H MET 63 HN MET 63 11.677 2.157 -8.874 484 HA MET 63 HA MET 63 14.054 1.368 -7.376 485 1HB MET 63 HB2 MET 63 12.410 3.785 -6.548 486 2HB MET 63 HB1 MET 63 13.475 2.916 -5.445 487 1HG MET 63 HG2 MET 63 15.316 3.307 -7.228 488 2HG MET 63 HG1 MET 63 14.214 4.512 -7.896 489 1HE MET 63 HE3 MET 63 17.096 4.969 -6.944 490 2HE MET 63 HE2 MET 63 17.347 5.625 -5.327 491 3HE MET 63 HE1 MET 63 17.059 3.899 -5.536 492 H ASP 64 HN ASP 64 13.425 -0.112 -5.729 493 HA ASP 64 HA ASP 64 10.690 -1.097 -5.954 494 1HB ASP 64 HB2 ASP 64 11.399 -2.794 -4.317 495 2HB ASP 64 HB1 ASP 64 12.582 -2.644 -5.613 496 H GLY 65 HN GLY 65 9.181 -1.252 -4.142 497 1HA GLY 65 HA2 GLY 65 9.171 1.211 -2.559 498 2HA GLY 65 HA1 GLY 65 7.887 0.007 -2.595 499 H LEU 66 HN LEU 66 10.492 -1.876 -2.068 500 HA LEU 66 HA LEU 66 9.887 -2.309 0.679 501 1HB LEU 66 HB2 LEU 66 11.343 -3.728 -1.066 502 2HB LEU 66 HB1 LEU 66 12.665 -2.857 -0.297 503 HG LEU 66 HG LEU 66 12.341 -4.951 0.889 504 1HD1 LEU 66 HD13 LEU 66 12.734 -2.735 2.154 505 2HD1 LEU 66 HD12 LEU 66 11.040 -2.858 2.633 506 3HD1 LEU 66 HD11 LEU 66 12.182 -4.118 3.097 507 1HD2 LEU 66 HD23 LEU 66 9.708 -4.767 0.191 508 2HD2 LEU 66 HD22 LEU 66 10.311 -5.843 1.449 509 3HD2 LEU 66 HD21 LEU 66 9.633 -4.275 1.881 510 H GLU 67 HN GLU 67 12.549 -0.498 -0.846 511 HA GLU 67 HA GLU 67 13.789 0.465 1.496 512 1HB GLU 67 HB2 GLU 67 14.604 0.834 -0.860 513 2HB GLU 67 HB1 GLU 67 13.332 2.040 -1.062 514 1HG GLU 67 HG2 GLU 67 14.269 3.448 0.630 515 2HG GLU 67 HG1 GLU 67 15.368 2.179 1.173 516 H LEU 68 HN LEU 68 10.659 1.023 0.263 517 HA LEU 68 HA LEU 68 10.236 3.620 1.532 518 1HB LEU 68 HB2 LEU 68 8.973 2.375 -0.502 519 2HB LEU 68 HB1 LEU 68 7.932 1.865 0.821 520 HG LEU 68 HG LEU 68 7.727 4.270 1.511 521 1HD1 LEU 68 HD12 LEU 68 9.632 4.550 -0.739 522 2HD1 LEU 68 HD11 LEU 68 8.297 5.695 -0.753 523 3HD1 LEU 68 HD13 LEU 68 9.359 5.605 0.646 524 1HD2 LEU 68 HD22 LEU 68 6.050 3.090 0.071 525 2HD2 LEU 68 HD21 LEU 68 6.122 4.824 -0.237 526 3HD2 LEU 68 HD23 LEU 68 6.898 3.698 -1.350 527 H LEU 69 HN LEU 69 9.001 0.305 2.161 528 HA LEU 69 HA LEU 69 7.729 0.863 4.638 529 1HB LEU 69 HB2 LEU 69 8.260 -1.389 3.110 530 2HB LEU 69 HB1 LEU 69 9.146 -1.684 4.601 531 HG LEU 69 HG LEU 69 6.203 -1.003 4.381 532 1HD1 LEU 69 HD11 LEU 69 7.705 -3.497 4.344 533 2HD1 LEU 69 HD13 LEU 69 6.559 -3.459 5.680 534 3HD1 LEU 69 HD12 LEU 69 5.995 -3.226 4.026 535 1HD2 LEU 69 HD22 LEU 69 8.032 -0.822 6.621 536 2HD2 LEU 69 HD21 LEU 69 6.316 -0.423 6.565 537 3HD2 LEU 69 HD23 LEU 69 6.829 -2.072 6.929 538 H LYS 70 HN LYS 70 10.957 -0.583 4.144 539 HA LYS 70 HA LYS 70 11.949 -0.498 6.731 540 1HB LYS 70 HB2 LYS 70 13.075 -1.171 4.438 541 2HB LYS 70 HB1 LYS 70 13.722 0.467 4.507 542 1HG LYS 70 HG2 LYS 70 14.002 -1.608 6.704 543 2HG LYS 70 HG1 LYS 70 15.259 -1.190 5.542 544 1HD LYS 70 HD2 LYS 70 14.825 1.267 6.397 545 2HD LYS 70 HD1 LYS 70 14.160 0.443 7.807 546 1HE LYS 70 HE2 LYS 70 16.266 -0.820 8.064 547 2HE LYS 70 HE1 LYS 70 16.934 0.011 6.658 548 1HZ LYS 70 HZ1 LYS 70 16.459 2.129 7.887 549 2HZ LYS 70 HZ3 LYS 70 16.159 1.185 9.263 550 3HZ LYS 70 HZ2 LYS 70 17.696 1.166 8.541 551 H THR 71 HN THR 71 12.144 2.192 4.365 552 HA THR 71 HA THR 71 13.299 4.071 6.180 553 HB THR 71 HB THR 71 12.218 5.783 4.592 554 HG1 THR 71 HG1 THR 71 10.635 4.897 3.532 555 1HG2 THR 71 HG21 THR 71 14.161 3.625 3.883 556 2HG2 THR 71 HG23 THR 71 13.635 4.721 2.604 557 3HG2 THR 71 HG22 THR 71 14.423 5.362 4.046 558 H ILE 72 HN ILE 72 9.912 3.301 5.421 559 HA ILE 72 HA ILE 72 8.692 5.334 6.995 560 HB ILE 72 HB ILE 72 7.811 2.559 6.197 561 1HG1 ILE 72 HG12 ILE 72 6.472 5.127 5.420 562 2HG1 ILE 72 HG11 ILE 72 7.994 4.702 4.641 563 1HG2 ILE 72 HG22 ILE 72 6.495 4.532 8.018 564 2HG2 ILE 72 HG21 ILE 72 5.499 3.531 6.962 565 3HG2 ILE 72 HG23 ILE 72 6.567 2.776 8.143 566 1HD1 ILE 72 HD12 ILE 72 6.044 2.480 4.757 567 2HD1 ILE 72 HD11 ILE 72 5.519 3.850 3.784 568 3HD1 ILE 72 HD13 ILE 72 7.036 3.034 3.412 569 NH1 ARG 73 NH2 ARG 73 13.203 -1.469 12.873 570 NH2 ARG 73 NH1 ARG 73 12.143 -3.355 13.525 571 H ARG 73 HN ARG 73 10.400 2.449 7.868 572 HA ARG 73 HA ARG 73 9.308 2.446 10.616 573 1HB ARG 73 HB2 ARG 73 9.773 0.278 9.577 574 2HB ARG 73 HB1 ARG 73 11.450 0.748 9.298 575 1HG ARG 73 HG2 ARG 73 12.038 0.485 11.501 576 2HG ARG 73 HG1 ARG 73 10.451 0.980 12.091 577 1HD ARG 73 HD2 ARG 73 9.506 -1.186 11.386 578 2HD ARG 73 HD1 ARG 73 11.089 -1.684 10.787 579 HE ARG 73 HE ARG 73 10.320 -1.420 13.635 580 1HH1 ARG 73 HH21 ARG 73 13.168 -0.525 12.545 581 2HH1 ARG 73 HH22 ARG 73 14.086 -1.911 13.031 582 1HH2 ARG 73 HH11 ARG 73 11.295 -3.857 13.697 583 2HH2 ARG 73 HH12 ARG 73 13.026 -3.797 13.683 584 H ALA 74 HN ALA 74 12.031 3.665 8.834 585 HA ALA 74 HA ALA 74 14.055 3.902 10.722 586 1HB ALA 74 HB2 ALA 74 13.923 4.837 8.301 587 2HB ALA 74 HB1 ALA 74 13.260 6.286 9.056 588 3HB ALA 74 HB3 ALA 74 14.879 5.730 9.482 589 H ASP 75 HN ASP 75 10.977 5.581 10.652 590 HA ASP 75 HA ASP 75 11.728 7.504 12.717 591 1HB ASP 75 HB2 ASP 75 9.620 7.253 10.887 592 2HB ASP 75 HB1 ASP 75 8.869 7.027 12.467 593 H GLY 76 HN GLY 76 9.493 4.700 12.651 594 1HA GLY 76 HA2 GLY 76 9.113 3.095 14.341 595 2HA GLY 76 HA1 GLY 76 10.399 3.844 15.287 596 H ALA 77 HN ALA 77 9.656 6.296 15.870 597 HA ALA 77 HA ALA 77 7.764 6.163 17.897 598 1HB ALA 77 HB1 ALA 77 9.335 8.142 16.969 599 2HB ALA 77 HB3 ALA 77 7.787 8.696 16.331 600 3HB ALA 77 HB2 ALA 77 7.987 8.444 18.065 601 H MET 78 HN MET 78 7.091 7.481 14.633 602 HA MET 78 HA MET 78 4.266 6.525 14.935 603 1HB MET 78 HB2 MET 78 5.119 9.097 13.581 604 2HB MET 78 HB1 MET 78 3.470 8.548 13.877 605 1HG MET 78 HG2 MET 78 3.813 8.713 16.293 606 2HG MET 78 HG1 MET 78 5.500 9.164 16.045 607 1HE MET 78 HE2 MET 78 3.939 10.611 17.837 608 2HE MET 78 HE1 MET 78 5.288 11.645 17.375 609 3HE MET 78 HE3 MET 78 3.644 12.296 17.417 610 H SER 79 HN SER 79 7.125 6.502 13.128 611 HA SER 79 HA SER 79 7.612 5.815 10.926 612 1HB SER 79 HB2 SER 79 6.324 3.803 10.240 613 2HB SER 79 HB1 SER 79 6.856 3.697 11.915 614 HG SER 79 HG SER 79 4.629 3.146 11.609 615 H ALA 80 HN ALA 80 4.834 4.749 9.610 616 HA ALA 80 HA ALA 80 3.726 7.368 8.854 617 1HB ALA 80 HB2 ALA 80 5.733 6.605 7.289 618 2HB ALA 80 HB1 ALA 80 4.484 5.591 6.566 619 3HB ALA 80 HB3 ALA 80 4.283 7.341 6.610 620 H LEU 81 HN LEU 81 2.361 5.667 10.319 621 HA LEU 81 HA LEU 81 0.552 4.229 10.469 622 1HB LEU 81 HB2 LEU 81 -0.497 5.407 7.957 623 2HB LEU 81 HB1 LEU 81 -1.229 5.307 9.554 624 HG LEU 81 HG LEU 81 0.879 7.285 8.671 625 1HD1 LEU 81 HD13 LEU 81 -2.000 7.522 9.558 626 2HD1 LEU 81 HD12 LEU 81 -0.910 8.895 9.398 627 3HD1 LEU 81 HD11 LEU 81 -1.332 7.938 7.979 628 1HD2 LEU 81 HD22 LEU 81 0.087 6.303 11.345 629 2HD2 LEU 81 HD21 LEU 81 1.539 7.178 10.861 630 3HD2 LEU 81 HD23 LEU 81 0.042 8.053 11.168 631 HA PRO 82 HA PRO 82 0.670 0.585 8.093 632 1HB PRO 82 HB2 PRO 82 -1.897 0.523 6.788 633 2HB PRO 82 HB1 PRO 82 -1.369 -0.369 8.211 634 1HG PRO 82 HG2 PRO 82 -3.212 1.781 8.153 635 2HG PRO 82 HG1 PRO 82 -2.511 1.034 9.594 636 1HD PRO 82 HD2 PRO 82 -1.918 3.616 8.397 637 2HD PRO 82 HD1 PRO 82 -1.422 3.009 9.986 638 H VAL 83 HN VAL 83 1.191 -0.370 6.192 639 HA VAL 83 HA VAL 83 0.735 1.047 3.611 640 HB VAL 83 HB VAL 83 3.387 0.015 4.650 641 1HG1 VAL 83 HG11 VAL 83 2.328 0.354 1.881 642 2HG1 VAL 83 HG13 VAL 83 4.019 0.756 2.180 643 3HG1 VAL 83 HG12 VAL 83 3.425 -0.869 2.523 644 1HG2 VAL 83 HG21 VAL 83 2.227 2.616 4.382 645 2HG2 VAL 83 HG23 VAL 83 3.784 2.158 5.051 646 3HG2 VAL 83 HG22 VAL 83 3.636 2.476 3.326 647 H LEU 84 HN LEU 84 -0.461 -0.574 2.559 648 HA LEU 84 HA LEU 84 0.336 -3.314 3.197 649 1HB LEU 84 HB2 LEU 84 -2.092 -2.829 3.065 650 2HB LEU 84 HB1 LEU 84 -1.894 -2.317 1.399 651 HG LEU 84 HG LEU 84 -1.617 -4.493 0.612 652 1HD1 LEU 84 HD12 LEU 84 -0.777 -5.288 3.414 653 2HD1 LEU 84 HD11 LEU 84 -1.056 -6.441 2.117 654 3HD1 LEU 84 HD13 LEU 84 0.233 -5.253 1.967 655 1HD2 LEU 84 HD23 LEU 84 -3.872 -4.247 1.560 656 2HD2 LEU 84 HD22 LEU 84 -3.309 -5.910 1.715 657 3HD2 LEU 84 HD21 LEU 84 -3.285 -4.839 3.113 658 H MET 85 HN MET 85 2.142 -3.899 2.192 659 HA MET 85 HA MET 85 2.938 -2.746 -0.322 660 1HB MET 85 HB2 MET 85 4.494 -3.638 1.451 661 2HB MET 85 HB1 MET 85 4.002 -5.269 0.997 662 1HG MET 85 HG2 MET 85 5.973 -4.889 -0.263 663 2HG MET 85 HG1 MET 85 4.671 -4.596 -1.413 664 1HE MET 85 HE3 MET 85 7.014 -3.216 1.166 665 2HE MET 85 HE2 MET 85 7.986 -3.263 -0.303 666 3HE MET 85 HE1 MET 85 7.631 -1.716 0.458 667 H VAL 86 HN VAL 86 1.765 -3.302 -2.190 668 HA VAL 86 HA VAL 86 0.793 -6.094 -2.448 669 HB VAL 86 HB VAL 86 -0.906 -5.306 -3.766 670 1HG1 VAL 86 HG12 VAL 86 -0.618 -3.986 -1.485 671 2HG1 VAL 86 HG11 VAL 86 -0.420 -2.620 -2.580 672 3HG1 VAL 86 HG13 VAL 86 -1.901 -3.574 -2.617 673 1HG2 VAL 86 HG21 VAL 86 0.943 -3.086 -4.584 674 2HG2 VAL 86 HG23 VAL 86 0.316 -4.383 -5.597 675 3HG2 VAL 86 HG22 VAL 86 -0.757 -3.111 -5.023 676 H THR 87 HN THR 87 1.478 -7.419 -4.130 677 HA THR 87 HA THR 87 3.189 -6.219 -6.232 678 HB THR 87 HB THR 87 4.509 -7.009 -4.037 679 HG1 THR 87 HG1 THR 87 5.092 -6.415 -6.452 680 1HG2 THR 87 HG22 THR 87 3.519 -9.361 -4.383 681 2HG2 THR 87 HG21 THR 87 4.629 -9.493 -5.748 682 3HG2 THR 87 HG23 THR 87 5.256 -9.251 -4.119 683 H ALA 88 HN ALA 88 3.632 -7.737 -8.000 684 HA ALA 88 HA ALA 88 1.408 -9.645 -8.304 685 1HB ALA 88 HB3 ALA 88 2.390 -7.942 -10.079 686 2HB ALA 88 HB2 ALA 88 3.519 -9.260 -10.393 687 3HB ALA 88 HB1 ALA 88 1.786 -9.517 -10.590 688 H GLU 89 HN GLU 89 4.880 -9.892 -9.139 689 HA GLU 89 HA GLU 89 4.769 -12.792 -8.773 690 1HB GLU 89 HB2 GLU 89 7.236 -11.084 -9.177 691 2HB GLU 89 HB1 GLU 89 7.042 -12.799 -9.543 692 1HG GLU 89 HG2 GLU 89 6.470 -12.181 -11.635 693 2HG GLU 89 HG1 GLU 89 4.971 -11.554 -10.948 694 H ALA 90 HN ALA 90 4.067 -12.429 -6.408 695 HA ALA 90 HA ALA 90 5.954 -11.453 -4.480 696 1HB ALA 90 HB1 ALA 90 3.501 -13.168 -4.385 697 2HB ALA 90 HB3 ALA 90 4.564 -13.161 -2.978 698 3HB ALA 90 HB2 ALA 90 3.842 -11.655 -3.545 699 H LYS 91 HN LYS 91 7.963 -12.415 -5.238 700 HA LYS 91 HA LYS 91 8.567 -15.076 -5.685 701 1HB LYS 91 HB2 LYS 91 10.157 -13.084 -5.718 702 2HB LYS 91 HB1 LYS 91 10.326 -13.299 -3.978 703 1HG LYS 91 HG2 LYS 91 10.947 -15.723 -4.460 704 2HG LYS 91 HG1 LYS 91 11.050 -15.264 -6.161 705 1HD LYS 91 HD2 LYS 91 12.559 -13.302 -5.155 706 2HD LYS 91 HD1 LYS 91 12.816 -14.492 -3.878 707 1HE LYS 91 HE2 LYS 91 14.515 -15.087 -5.341 708 2HE LYS 91 HE1 LYS 91 13.216 -16.122 -5.933 709 1HZ LYS 91 HZ2 LYS 91 13.588 -13.399 -7.003 710 2HZ LYS 91 HZ1 LYS 91 14.499 -14.699 -7.608 711 3HZ LYS 91 HZ3 LYS 91 12.806 -14.727 -7.716 712 H LYS 92 HN LYS 92 9.589 -13.874 -2.505 713 HA LYS 92 HA LYS 92 7.874 -15.388 -0.860 714 1HB LYS 92 HB2 LYS 92 9.783 -17.033 -2.272 715 2HB LYS 92 HB1 LYS 92 10.154 -17.059 -0.551 716 1HG LYS 92 HG2 LYS 92 7.924 -17.771 0.004 717 2HG LYS 92 HG1 LYS 92 7.372 -17.523 -1.651 718 1HD LYS 92 HD2 LYS 92 9.049 -19.256 -2.388 719 2HD LYS 92 HD1 LYS 92 9.368 -19.587 -0.685 720 1HE LYS 92 HE2 LYS 92 7.142 -20.356 -0.313 721 2HE LYS 92 HE1 LYS 92 6.579 -19.704 -1.851 722 1HZ LYS 92 HZ2 LYS 92 8.650 -21.366 -2.509 723 2HZ LYS 92 HZ1 LYS 92 7.811 -22.211 -1.298 724 3HZ LYS 92 HZ3 LYS 92 6.994 -21.699 -2.692 725 H GLU 93 HN GLU 93 11.440 -15.492 -0.766 726 HA GLU 93 HA GLU 93 11.683 -14.599 1.874 727 1HB GLU 93 HB2 GLU 93 13.457 -14.870 -0.439 728 2HB GLU 93 HB1 GLU 93 13.930 -13.551 0.632 729 1HG GLU 93 HG2 GLU 93 13.292 -16.336 1.630 730 2HG GLU 93 HG1 GLU 93 14.926 -15.809 1.222 731 H ASN 94 HN ASN 94 11.182 -12.775 -1.080 732 HA ASN 94 HA ASN 94 11.859 -10.190 -0.100 733 1HB ASN 94 HB2 ASN 94 10.374 -11.293 -2.377 734 2HB ASN 94 HB1 ASN 94 9.767 -9.727 -1.839 735 1HD2 ASN 94 HD22 ASN 94 12.336 -8.285 -3.799 736 2HD2 ASN 94 HD21 ASN 94 10.665 -8.461 -3.565 737 H ILE 95 HN ILE 95 8.662 -11.757 -0.312 738 HA ILE 95 HA ILE 95 7.075 -9.850 0.930 739 HB ILE 95 HB ILE 95 6.880 -12.774 1.668 740 1HG1 ILE 95 HG12 ILE 95 7.222 -12.814 -0.703 741 2HG1 ILE 95 HG11 ILE 95 5.479 -12.934 -0.460 742 1HG2 ILE 95 HG23 ILE 95 5.336 -11.022 2.665 743 2HG2 ILE 95 HG22 ILE 95 4.729 -10.743 1.034 744 3HG2 ILE 95 HG21 ILE 95 4.526 -12.322 1.791 745 1HD1 ILE 95 HD11 ILE 95 5.448 -10.369 -0.680 746 2HD1 ILE 95 HD13 ILE 95 7.083 -10.526 -1.322 747 3HD1 ILE 95 HD12 ILE 95 5.732 -11.294 -2.153 748 H ILE 96 HN ILE 96 8.873 -12.432 2.643 749 HA ILE 96 HA ILE 96 8.268 -11.545 5.262 750 HB ILE 96 HB ILE 96 10.569 -13.090 4.080 751 1HG1 ILE 96 HG12 ILE 96 9.594 -14.892 5.434 752 2HG1 ILE 96 HG11 ILE 96 8.428 -13.762 6.126 753 1HG2 ILE 96 HG22 ILE 96 10.294 -11.975 6.864 754 2HG2 ILE 96 HG21 ILE 96 11.141 -13.496 6.590 755 3HG2 ILE 96 HG23 ILE 96 11.720 -12.015 5.827 756 1HD1 ILE 96 HD12 ILE 96 8.628 -14.160 3.143 757 2HD1 ILE 96 HD11 ILE 96 7.644 -15.230 4.142 758 3HD1 ILE 96 HD13 ILE 96 7.284 -13.504 4.077 759 H ALA 97 HN ALA 97 10.566 -10.327 2.908 760 HA ALA 97 HA ALA 97 12.192 -8.807 4.709 761 1HB ALA 97 HB1 ALA 97 12.206 -9.271 1.998 762 2HB ALA 97 HB3 ALA 97 11.747 -7.573 2.085 763 3HB ALA 97 HB2 ALA 97 13.248 -8.118 2.829 764 H ALA 98 HN ALA 98 9.243 -7.947 2.888 765 HA ALA 98 HA ALA 98 9.156 -5.250 3.926 766 1HB ALA 98 HB3 ALA 98 6.956 -7.015 2.810 767 2HB ALA 98 HB2 ALA 98 6.728 -5.323 3.252 768 3HB ALA 98 HB1 ALA 98 7.831 -5.753 1.944 769 H ALA 99 HN ALA 99 7.314 -8.193 4.719 770 HA ALA 99 HA ALA 99 5.965 -7.117 6.927 771 1HB ALA 99 HB2 ALA 99 6.952 -9.952 6.455 772 2HB ALA 99 HB1 ALA 99 5.814 -9.497 7.723 773 3HB ALA 99 HB3 ALA 99 5.368 -9.302 6.028 774 H GLN 100 HN GLN 100 9.299 -8.235 6.562 775 HA GLN 100 HA GLN 100 9.941 -8.481 9.352 776 1HB GLN 100 HB2 GLN 100 11.454 -8.191 6.839 777 2HB GLN 100 HB1 GLN 100 12.229 -7.400 8.210 778 1HG GLN 100 HG2 GLN 100 12.049 -9.493 9.515 779 2HG GLN 100 HG1 GLN 100 11.302 -10.286 8.129 780 1HE2 GLN 100 HE22 GLN 100 14.820 -11.199 7.763 781 2HE2 GLN 100 HE21 GLN 100 13.461 -11.644 8.678 782 H ALA 101 HN ALA 101 9.571 -5.856 7.099 783 HA ALA 101 HA ALA 101 10.372 -3.778 9.026 784 1HB ALA 101 HB1 ALA 101 10.475 -3.606 6.423 785 2HB ALA 101 HB3 ALA 101 8.734 -3.359 6.507 786 3HB ALA 101 HB2 ALA 101 9.821 -2.220 7.294 787 H GLY 102 HN GLY 102 7.806 -5.743 8.156 788 1HA GLY 102 HA2 GLY 102 5.644 -6.056 8.903 789 2HA GLY 102 HA1 GLY 102 6.215 -5.301 10.372 790 H ALA 103 HN ALA 103 4.873 -4.510 7.130 791 HA ALA 103 HA ALA 103 4.110 -1.855 8.227 792 1HB ALA 103 HB2 ALA 103 3.617 -3.269 5.607 793 2HB ALA 103 HB1 ALA 103 3.079 -1.638 5.979 794 3HB ALA 103 HB3 ALA 103 4.767 -2.004 5.909 795 H SER 104 HN SER 104 1.925 -2.887 6.069 796 HA SER 104 HA SER 104 -0.192 -3.341 8.102 797 1HB SER 104 HB2 SER 104 -1.641 -2.460 6.605 798 2HB SER 104 HB1 SER 104 -0.212 -1.920 5.737 799 HG SER 104 HG SER 104 -1.644 -4.344 5.384 800 H GLY 105 HN GLY 105 1.108 -4.735 5.163 801 1HA GLY 105 HA2 GLY 105 1.297 -7.407 5.925 802 2HA GLY 105 HA1 GLY 105 -0.342 -7.224 5.335 803 OH TYR 106 OH TYR 106 1.856 -12.859 -2.539 804 H TYR 106 HN TYR 106 0.198 -8.635 3.548 805 HA TYR 106 HA TYR 106 1.435 -7.147 1.307 806 1HB TYR 106 HB2 TYR 106 3.317 -8.402 1.427 807 2HB TYR 106 HB1 TYR 106 2.585 -9.530 2.569 808 HD1 TYR 106 HD1 TYR 106 2.246 -8.560 -1.076 809 HD2 TYR 106 HD2 TYR 106 2.263 -11.722 1.841 810 HE1 TYR 106 HE1 TYR 106 1.994 -10.241 -2.874 811 HE2 TYR 106 HE2 TYR 106 2.013 -13.390 0.037 812 HH TYR 106 HH TYR 106 2.059 -13.721 -2.170 813 H VAL 107 HN VAL 107 0.013 -7.233 -0.350 814 HA VAL 107 HA VAL 107 -1.793 -9.633 -0.520 815 HB VAL 107 HB VAL 107 -3.051 -7.595 0.091 816 1HG1 VAL 107 HG12 VAL 107 -1.242 -6.228 -1.363 817 2HG1 VAL 107 HG11 VAL 107 -2.520 -6.379 -2.565 818 3HG1 VAL 107 HG13 VAL 107 -2.851 -5.596 -1.024 819 1HG2 VAL 107 HG23 VAL 107 -4.016 -9.343 -1.447 820 2HG2 VAL 107 HG22 VAL 107 -4.707 -7.737 -1.677 821 3HG2 VAL 107 HG21 VAL 107 -3.508 -8.351 -2.812 822 H VAL 108 HN VAL 108 -1.709 -10.727 -2.431 823 HA VAL 108 HA VAL 108 0.244 -9.899 -4.394 824 HB VAL 108 HB VAL 108 -1.665 -11.908 -5.340 825 1HG1 VAL 108 HG11 VAL 108 1.285 -11.976 -4.633 826 2HG1 VAL 108 HG13 VAL 108 0.422 -13.238 -5.512 827 3HG1 VAL 108 HG12 VAL 108 0.607 -11.634 -6.224 828 1HG2 VAL 108 HG23 VAL 108 -0.391 -12.232 -2.609 829 2HG2 VAL 108 HG22 VAL 108 -2.096 -12.392 -3.028 830 3HG2 VAL 108 HG21 VAL 108 -0.936 -13.598 -3.581 831 H LYS 109 HN LYS 109 -0.115 -8.720 -6.245 832 HA LYS 109 HA LYS 109 -2.921 -7.917 -6.851 833 1HB LYS 109 HB2 LYS 109 -2.145 -5.796 -7.129 834 2HB LYS 109 HB1 LYS 109 -0.692 -6.371 -6.326 835 1HG LYS 109 HG2 LYS 109 0.228 -7.014 -8.586 836 2HG LYS 109 HG1 LYS 109 -1.172 -6.220 -9.319 837 1HD LYS 109 HD2 LYS 109 -0.484 -4.174 -7.876 838 2HD LYS 109 HD1 LYS 109 1.071 -4.996 -7.727 839 1HE LYS 109 HE2 LYS 109 0.862 -5.229 -10.344 840 2HE LYS 109 HE1 LYS 109 -0.244 -3.866 -10.175 841 1HZ LYS 109 HZ2 LYS 109 2.082 -3.452 -8.617 842 2HZ LYS 109 HZ1 LYS 109 2.517 -3.785 -10.226 843 3HZ LYS 109 HZ3 LYS 109 1.461 -2.504 -9.883 844 HA PRO 110 HA PRO 110 -3.574 -6.485 -8.782 845 1HB PRO 110 HB2 PRO 110 -5.491 -7.522 -10.641 846 2HB PRO 110 HB1 PRO 110 -4.426 -6.127 -10.858 847 1HG PRO 110 HG2 PRO 110 -4.256 -8.623 -12.220 848 2HG PRO 110 HG1 PRO 110 -3.087 -7.295 -12.287 849 1HD PRO 110 HD2 PRO 110 -2.880 -9.860 -10.872 850 2HD PRO 110 HD1 PRO 110 -1.611 -8.670 -11.220 851 H PHE 111 HN PHE 111 -5.164 -6.543 -7.196 852 HA PHE 111 HA PHE 111 -6.386 -9.190 -6.568 853 1HB PHE 111 HB2 PHE 111 -7.171 -7.788 -4.494 854 2HB PHE 111 HB1 PHE 111 -5.495 -8.329 -4.579 855 HD1 PHE 111 HD2 PHE 111 -7.746 -5.474 -5.464 856 HD2 PHE 111 HD1 PHE 111 -3.774 -6.757 -4.494 857 HE1 PHE 111 HE2 PHE 111 -6.980 -3.120 -5.456 858 HE2 PHE 111 HE1 PHE 111 -3.009 -4.407 -4.476 859 HZ PHE 111 HZ PHE 111 -4.613 -2.578 -4.961 860 H THR 112 HN THR 112 -8.641 -9.221 -5.979 861 HA THR 112 HA THR 112 -10.267 -7.339 -7.615 862 HB THR 112 HB THR 112 -11.536 -9.616 -6.166 863 HG1 THR 112 HG1 THR 112 -9.988 -10.870 -6.887 864 1HG2 THR 112 HG22 THR 112 -12.593 -7.956 -7.839 865 2HG2 THR 112 HG21 THR 112 -11.733 -8.869 -9.079 866 3HG2 THR 112 HG23 THR 112 -12.934 -9.671 -8.068 867 H ALA 113 HN ALA 113 -11.987 -6.156 -6.508 868 HA ALA 113 HA ALA 113 -11.323 -5.114 -4.006 869 1HB ALA 113 HB3 ALA 113 -13.286 -4.529 -5.739 870 2HB ALA 113 HB2 ALA 113 -14.240 -5.454 -4.581 871 3HB ALA 113 HB1 ALA 113 -13.365 -4.017 -4.053 872 H ALA 114 HN ALA 114 -12.714 -8.187 -4.733 873 HA ALA 114 HA ALA 114 -13.627 -8.606 -1.970 874 1HB ALA 114 HB1 ALA 114 -13.732 -10.122 -4.526 875 2HB ALA 114 HB3 ALA 114 -13.629 -11.098 -3.060 876 3HB ALA 114 HB2 ALA 114 -14.958 -9.957 -3.270 877 H THR 115 HN THR 115 -10.847 -9.308 -3.999 878 HA THR 115 HA THR 115 -9.642 -11.074 -2.020 879 HB THR 115 HB THR 115 -7.747 -9.880 -3.869 880 HG1 THR 115 HG1 THR 115 -8.758 -10.680 -5.738 881 1HG2 THR 115 HG21 THR 115 -7.486 -12.040 -2.693 882 2HG2 THR 115 HG23 THR 115 -8.866 -12.676 -3.588 883 3HG2 THR 115 HG22 THR 115 -7.389 -12.234 -4.444 884 H LEU 116 HN LEU 116 -8.773 -7.689 -3.165 885 HA LEU 116 HA LEU 116 -6.925 -7.248 -1.075 886 1HB LEU 116 HB2 LEU 116 -8.108 -5.661 -3.058 887 2HB LEU 116 HB1 LEU 116 -8.621 -4.904 -1.554 888 HG LEU 116 HG LEU 116 -5.796 -5.355 -2.549 889 1HD1 LEU 116 HD11 LEU 116 -7.339 -3.267 -2.980 890 2HD1 LEU 116 HD13 LEU 116 -6.909 -2.853 -1.327 891 3HD1 LEU 116 HD12 LEU 116 -5.650 -3.031 -2.546 892 1HD2 LEU 116 HD22 LEU 116 -6.780 -5.174 0.238 893 2HD2 LEU 116 HD21 LEU 116 -5.251 -5.803 -0.374 894 3HD2 LEU 116 HD23 LEU 116 -5.471 -4.068 -0.166 895 H GLU 117 HN GLU 117 -10.492 -6.940 -1.092 896 HA GLU 117 HA GLU 117 -10.775 -5.854 1.504 897 1HB GLU 117 HB2 GLU 117 -12.700 -5.913 0.088 898 2HB GLU 117 HB1 GLU 117 -12.572 -7.659 -0.117 899 1HG GLU 117 HG2 GLU 117 -13.243 -8.079 2.129 900 2HG GLU 117 HG1 GLU 117 -13.001 -6.395 2.595 901 H GLU 118 HN GLU 118 -10.882 -9.271 0.488 902 HA GLU 118 HA GLU 118 -11.241 -10.523 2.937 903 1HB GLU 118 HB2 GLU 118 -9.495 -11.268 0.588 904 2HB GLU 118 HB1 GLU 118 -9.628 -12.314 2.003 905 1HG GLU 118 HG2 GLU 118 -12.168 -11.296 0.816 906 2HG GLU 118 HG1 GLU 118 -11.299 -12.543 -0.079 907 H LYS 119 HN LYS 119 -8.143 -9.337 1.615 908 HA LYS 119 HA LYS 119 -6.619 -10.085 3.956 909 1HB LYS 119 HB2 LYS 119 -6.023 -7.988 1.843 910 2HB LYS 119 HB1 LYS 119 -4.860 -8.658 2.987 911 1HG LYS 119 HG2 LYS 119 -6.262 -10.778 1.590 912 2HG LYS 119 HG1 LYS 119 -5.494 -9.676 0.446 913 1HD LYS 119 HD2 LYS 119 -3.355 -9.903 1.659 914 2HD LYS 119 HD1 LYS 119 -4.120 -11.011 2.798 915 1HE LYS 119 HE2 LYS 119 -4.540 -11.765 -0.009 916 2HE LYS 119 HE1 LYS 119 -2.843 -11.767 0.470 917 1HZ LYS 119 HZ2 LYS 119 -3.862 -12.969 2.565 918 2HZ LYS 119 HZ1 LYS 119 -5.049 -13.417 1.434 919 3HZ LYS 119 HZ3 LYS 119 -3.425 -13.827 1.164 920 H LEU 120 HN LEU 120 -7.950 -6.986 2.797 921 HA LEU 120 HA LEU 120 -7.120 -5.277 4.824 922 1HB LEU 120 HB2 LEU 120 -8.732 -4.914 2.751 923 2HB LEU 120 HB1 LEU 120 -9.989 -5.135 3.969 924 HG LEU 120 HG LEU 120 -8.467 -3.425 5.329 925 1HD1 LEU 120 HD12 LEU 120 -6.736 -3.348 3.542 926 2HD1 LEU 120 HD11 LEU 120 -7.942 -2.696 2.432 927 3HD1 LEU 120 HD13 LEU 120 -7.449 -1.763 3.846 928 1HD2 LEU 120 HD21 LEU 120 -10.535 -2.922 3.204 929 2HD2 LEU 120 HD23 LEU 120 -10.695 -2.806 4.957 930 3HD2 LEU 120 HD22 LEU 120 -9.814 -1.564 4.068 931 H ASN 121 HN ASN 121 -10.323 -6.894 4.900 932 HA ASN 121 HA ASN 121 -10.956 -6.342 7.559 933 1HB ASN 121 HB2 ASN 121 -11.836 -8.227 5.549 934 2HB ASN 121 HB1 ASN 121 -11.839 -8.982 7.143 935 1HD2 ASN 121 HD22 ASN 121 -14.451 -6.921 8.414 936 2HD2 ASN 121 HD21 ASN 121 -13.196 -7.985 8.829 937 H LYS 122 HN LYS 122 -9.064 -9.095 6.335 938 HA LYS 122 HA LYS 122 -8.622 -10.256 8.935 939 1HB LYS 122 HB2 LYS 122 -8.348 -11.481 6.762 940 2HB LYS 122 HB1 LYS 122 -6.898 -10.526 6.453 941 1HG LYS 122 HG2 LYS 122 -6.731 -11.614 9.105 942 2HG LYS 122 HG1 LYS 122 -7.115 -12.917 7.981 943 1HD LYS 122 HD2 LYS 122 -5.224 -12.248 6.548 944 2HD LYS 122 HD1 LYS 122 -4.840 -10.936 7.664 945 1HE LYS 122 HE2 LYS 122 -3.394 -12.849 8.135 946 2HE LYS 122 HE1 LYS 122 -4.516 -12.616 9.476 947 1HZ LYS 122 HZ3 LYS 122 -5.082 -14.468 7.237 948 2HZ LYS 122 HZ2 LYS 122 -4.249 -14.960 8.634 949 3HZ LYS 122 HZ1 LYS 122 -5.845 -14.390 8.750 950 H ILE 123 HN ILE 123 -7.223 -7.563 7.287 951 HA ILE 123 HA ILE 123 -4.769 -7.617 8.926 952 HB ILE 123 HB ILE 123 -5.797 -5.899 6.686 953 1HG1 ILE 123 HG12 ILE 123 -3.103 -7.206 7.137 954 2HG1 ILE 123 HG11 ILE 123 -4.453 -8.036 6.364 955 1HG2 ILE 123 HG21 ILE 123 -3.711 -5.199 8.749 956 2HG2 ILE 123 HG23 ILE 123 -3.579 -4.591 7.099 957 3HG2 ILE 123 HG22 ILE 123 -4.987 -4.181 8.078 958 1HD1 ILE 123 HD12 ILE 123 -3.860 -5.340 5.306 959 2HD1 ILE 123 HD11 ILE 123 -2.618 -6.556 5.002 960 3HD1 ILE 123 HD13 ILE 123 -4.271 -6.822 4.443 961 H PHE 124 HN PHE 124 -7.692 -5.584 8.583 962 HA PHE 124 HA PHE 124 -6.928 -3.694 10.565 963 1HB PHE 124 HB2 PHE 124 -9.512 -4.470 9.279 964 2HB PHE 124 HB1 PHE 124 -9.551 -3.446 10.717 965 HD1 PHE 124 HD1 PHE 124 -7.676 -3.803 7.498 966 HD2 PHE 124 HD2 PHE 124 -9.288 -1.131 10.448 967 HE1 PHE 124 HE1 PHE 124 -6.933 -1.864 6.146 968 HE2 PHE 124 HE2 PHE 124 -8.548 0.810 9.092 969 HZ PHE 124 HZ PHE 124 -7.377 0.439 6.940 970 H GLU 125 HN GLU 125 -7.917 -6.955 10.858 971 HA GLU 125 HA GLU 125 -9.043 -6.748 13.526 972 1HB GLU 125 HB2 GLU 125 -9.375 -8.724 11.975 973 2HB GLU 125 HB1 GLU 125 -7.688 -9.154 12.261 974 1HG GLU 125 HG2 GLU 125 -8.795 -8.710 14.813 975 2HG GLU 125 HG1 GLU 125 -9.998 -9.653 13.933 976 H LYS 126 HN LYS 126 -5.911 -6.665 12.147 977 HA LYS 126 HA LYS 126 -4.567 -7.243 14.728 978 1HB LYS 126 HB2 LYS 126 -3.383 -6.535 12.024 979 2HB LYS 126 HB1 LYS 126 -2.493 -7.120 13.430 980 1HG LYS 126 HG2 LYS 126 -3.618 -9.258 13.346 981 2HG LYS 126 HG1 LYS 126 -4.722 -8.684 12.098 982 1HD LYS 126 HD2 LYS 126 -3.157 -9.868 10.832 983 2HD LYS 126 HD1 LYS 126 -2.508 -8.233 10.741 984 1HE LYS 126 HE2 LYS 126 -1.006 -8.744 12.652 985 2HE LYS 126 HE1 LYS 126 -1.633 -10.391 12.685 986 1HZ LYS 126 HZ2 LYS 126 -0.950 -10.021 10.086 987 2HZ LYS 126 HZ1 LYS 126 0.286 -9.201 10.918 988 3HZ LYS 126 HZ3 LYS 126 -0.015 -10.838 11.246 989 H LEU 127 HN LEU 127 -5.266 -4.632 12.463 990 HA LEU 127 HA LEU 127 -3.663 -2.666 13.906 991 1HB LEU 127 HB2 LEU 127 -4.980 -2.782 11.395 992 2HB LEU 127 HB1 LEU 127 -5.764 -1.482 12.290 993 HG LEU 127 HG LEU 127 -3.860 -0.607 11.025 994 1HD1 LEU 127 HD12 LEU 127 -4.373 -0.130 13.667 995 2HD1 LEU 127 HD11 LEU 127 -2.664 -0.562 13.723 996 3HD1 LEU 127 HD13 LEU 127 -3.203 0.773 12.706 997 1HD2 LEU 127 HD23 LEU 127 -2.670 -3.069 11.794 998 2HD2 LEU 127 HD22 LEU 127 -1.976 -1.813 10.769 999 3HD2 LEU 127 HD21 LEU 127 -1.695 -1.786 12.511 1000 H GLY 128 HN GLY 128 -6.858 -3.995 14.149 1001 1HA GLY 128 HA2 GLY 128 -8.658 -3.467 15.563 1002 2HA GLY 128 HA1 GLY 128 -7.404 -2.956 16.693 1003 H MET 129 HN MET 129 -9.656 -1.870 14.238 1004 HA MET 129 HA MET 129 -8.821 0.946 14.587 1005 1HB MET 129 HB2 MET 129 -10.161 -0.557 12.549 1006 2HB MET 129 HB1 MET 129 -11.237 0.734 13.085 1007 1HG MET 129 HG2 MET 129 -8.338 1.143 12.300 1008 2HG MET 129 HG1 MET 129 -9.711 1.447 11.234 1009 1HE MET 129 HE3 MET 129 -7.871 3.296 11.351 1010 2HE MET 129 HE2 MET 129 -9.183 4.442 11.086 1011 3HE MET 129 HE1 MET 129 -8.008 4.741 12.363 Start of MODEL 9 Raw file had 1011 H/Q atoms Start of MODEL 9 1 H ALA 2 HN ALA 2 -13.085 -1.176 8.337 2 HA ALA 2 HA ALA 2 -12.745 0.611 10.464 3 1HB ALA 2 HB2 ALA 2 -10.975 -0.593 8.977 4 2HB ALA 2 HB1 ALA 2 -11.068 0.851 7.970 5 3HB ALA 2 HB3 ALA 2 -10.565 0.985 9.655 6 H ASP 3 HN ASP 3 -11.751 2.969 9.955 7 HA ASP 3 HA ASP 3 -13.848 4.708 9.345 8 1HB ASP 3 HB2 ASP 3 -10.985 4.918 9.702 9 2HB ASP 3 HB1 ASP 3 -11.502 5.976 8.387 10 H LYS 4 HN LYS 4 -15.029 4.699 7.462 11 HA LYS 4 HA LYS 4 -13.918 3.691 4.984 12 1HB LYS 4 HB2 LYS 4 -16.076 4.321 4.000 13 2HB LYS 4 HB1 LYS 4 -16.311 3.470 5.513 14 1HG LYS 4 HG2 LYS 4 -16.671 5.583 6.694 15 2HG LYS 4 HG1 LYS 4 -16.349 6.487 5.215 16 1HD LYS 4 HD2 LYS 4 -18.331 4.550 4.582 17 2HD LYS 4 HD1 LYS 4 -18.826 5.326 6.086 18 1HE LYS 4 HE2 LYS 4 -18.399 7.557 4.980 19 2HE LYS 4 HE1 LYS 4 -18.148 6.687 3.465 20 1HZ LYS 4 HZ1 LYS 4 -20.589 6.234 5.050 21 2HZ LYS 4 HZ3 LYS 4 -20.480 7.585 4.031 22 3HZ LYS 4 HZ2 LYS 4 -20.338 6.021 3.383 23 H GLU 5 HN GLU 5 -12.418 5.869 6.070 24 HA GLU 5 HA GLU 5 -12.375 7.605 3.701 25 1HB GLU 5 HB2 GLU 5 -13.926 8.602 5.564 26 2HB GLU 5 HB1 GLU 5 -12.412 8.939 6.404 27 1HG GLU 5 HG2 GLU 5 -11.596 10.153 4.391 28 2HG GLU 5 HG1 GLU 5 -13.157 9.875 3.618 29 H LEU 6 HN LEU 6 -10.676 5.538 4.985 30 HA LEU 6 HA LEU 6 -8.504 6.905 6.285 31 1HB LEU 6 HB2 LEU 6 -9.043 4.492 6.624 32 2HB LEU 6 HB1 LEU 6 -8.561 4.171 4.969 33 HG LEU 6 HG LEU 6 -6.265 4.776 5.452 34 1HD1 LEU 6 HD11 LEU 6 -7.465 5.772 8.013 35 2HD1 LEU 6 HD13 LEU 6 -5.794 5.215 7.993 36 3HD1 LEU 6 HD12 LEU 6 -6.286 6.555 6.957 37 1HD2 LEU 6 HD21 LEU 6 -7.369 2.531 6.294 38 2HD2 LEU 6 HD23 LEU 6 -5.716 2.942 6.764 39 3HD2 LEU 6 HD22 LEU 6 -7.047 3.214 7.886 40 H LYS 7 HN LYS 7 -6.607 7.739 5.349 41 HA LYS 7 HA LYS 7 -6.773 8.337 2.499 42 1HB LYS 7 HB2 LYS 7 -4.998 9.141 4.765 43 2HB LYS 7 HB1 LYS 7 -4.415 9.377 3.121 44 1HG LYS 7 HG2 LYS 7 -6.464 10.644 2.570 45 2HG LYS 7 HG1 LYS 7 -7.039 10.425 4.223 46 1HD LYS 7 HD2 LYS 7 -4.321 11.617 3.784 47 2HD LYS 7 HD1 LYS 7 -5.743 12.629 3.537 48 1HE LYS 7 HE2 LYS 7 -6.312 12.614 5.765 49 2HE LYS 7 HE1 LYS 7 -5.675 10.990 6.027 50 1HZ LYS 7 HZ3 LYS 7 -3.437 12.272 5.462 51 2HZ LYS 7 HZ2 LYS 7 -4.316 13.563 6.133 52 3HZ LYS 7 HZ1 LYS 7 -4.047 12.152 7.041 53 H PHE 8 HN PHE 8 -5.821 7.241 0.865 54 HA PHE 8 HA PHE 8 -3.666 5.303 1.518 55 1HB PHE 8 HB2 PHE 8 -5.670 5.287 -0.739 56 2HB PHE 8 HB1 PHE 8 -4.366 4.136 -0.553 57 HD1 PHE 8 HD1 PHE 8 -7.311 5.538 1.205 58 HD2 PHE 8 HD2 PHE 8 -4.691 2.175 0.743 59 HE1 PHE 8 HE1 PHE 8 -8.759 4.207 2.688 60 HE2 PHE 8 HE2 PHE 8 -6.153 0.831 2.237 61 HZ PHE 8 HZ PHE 8 -8.187 1.849 3.226 62 H LEU 9 HN LEU 9 -1.952 5.102 -0.034 63 HA LEU 9 HA LEU 9 -1.718 7.403 -1.939 64 1HB LEU 9 HB2 LEU 9 -0.245 7.912 -0.085 65 2HB LEU 9 HB1 LEU 9 0.417 6.281 -0.099 66 HG LEU 9 HG LEU 9 1.415 6.645 -2.286 67 1HD1 LEU 9 HD12 LEU 9 -0.195 9.177 -2.157 68 2HD1 LEU 9 HD11 LEU 9 1.278 9.125 -3.126 69 3HD1 LEU 9 HD13 LEU 9 -0.051 8.020 -3.481 70 1HD2 LEU 9 HD22 LEU 9 1.919 8.740 -0.188 71 2HD2 LEU 9 HD21 LEU 9 2.899 7.337 -0.617 72 3HD2 LEU 9 HD23 LEU 9 2.838 8.732 -1.692 73 H VAL 10 HN VAL 10 -1.897 6.418 -3.912 74 HA VAL 10 HA VAL 10 -0.744 3.708 -4.269 75 HB VAL 10 HB VAL 10 -1.913 4.037 -6.583 76 1HG1 VAL 10 HG13 VAL 10 -3.232 3.637 -3.903 77 2HG1 VAL 10 HG12 VAL 10 -4.163 3.523 -5.396 78 3HG1 VAL 10 HG11 VAL 10 -2.812 2.425 -5.113 79 1HG2 VAL 10 HG21 VAL 10 -2.269 6.487 -6.224 80 2HG2 VAL 10 HG23 VAL 10 -3.766 5.615 -6.541 81 3HG2 VAL 10 HG22 VAL 10 -3.360 6.097 -4.896 82 H VAL 11 HN VAL 11 1.402 3.798 -4.786 83 HA VAL 11 HA VAL 11 2.371 5.907 -6.593 84 HB VAL 11 HB VAL 11 3.942 3.827 -5.065 85 1HG1 VAL 11 HG13 VAL 11 4.653 5.966 -6.955 86 2HG1 VAL 11 HG12 VAL 11 5.567 6.002 -5.447 87 3HG1 VAL 11 HG11 VAL 11 5.577 4.552 -6.450 88 1HG2 VAL 11 HG21 VAL 11 2.606 6.230 -4.197 89 2HG2 VAL 11 HG23 VAL 11 3.476 5.042 -3.230 90 3HG2 VAL 11 HG22 VAL 11 4.346 6.385 -3.972 91 H ASP 12 HN ASP 12 1.828 5.205 -8.684 92 HA ASP 12 HA ASP 12 3.234 2.763 -9.601 93 1HB ASP 12 HB2 ASP 12 0.371 3.134 -10.437 94 2HB ASP 12 HB1 ASP 12 1.349 1.666 -10.439 95 H ASP 13 HN ASP 13 3.039 2.617 -12.073 96 HA ASP 13 HA ASP 13 2.679 5.291 -13.335 97 1HB ASP 13 HB2 ASP 13 5.129 3.526 -13.649 98 2HB ASP 13 HB1 ASP 13 4.816 5.006 -14.555 99 H PHE 14 HN PHE 14 1.236 2.636 -13.323 100 HA PHE 14 HA PHE 14 1.706 1.405 -15.894 101 1HB PHE 14 HB2 PHE 14 0.249 0.741 -13.632 102 2HB PHE 14 HB1 PHE 14 -1.014 1.097 -14.802 103 HD1 PHE 14 HD2 PHE 14 -0.582 0.106 -17.240 104 HD2 PHE 14 HD1 PHE 14 1.155 -1.410 -13.614 105 HE1 PHE 14 HE2 PHE 14 -0.186 -2.081 -18.342 106 HE2 PHE 14 HE1 PHE 14 1.551 -3.594 -14.716 107 HZ PHE 14 HZ PHE 14 0.881 -3.930 -17.081 108 H SER 15 HN SER 15 -1.409 2.843 -14.986 109 HA SER 15 HA SER 15 -1.718 5.096 -16.459 110 1HB SER 15 HB2 SER 15 -0.967 4.417 -18.555 111 2HB SER 15 HB1 SER 15 -1.482 2.749 -18.312 112 HG SER 15 HG SER 15 -3.069 3.421 -19.554 113 H THR 16 HN THR 16 -2.905 1.995 -15.589 114 HA THR 16 HA THR 16 -5.667 3.105 -15.359 115 HB THR 16 HB THR 16 -6.156 1.714 -17.119 116 HG1 THR 16 HG1 THR 16 -5.777 -0.315 -15.186 117 1HG2 THR 16 HG23 THR 16 -3.690 0.162 -16.299 118 2HG2 THR 16 HG22 THR 16 -4.747 -0.335 -17.620 119 3HG2 THR 16 HG21 THR 16 -3.884 1.201 -17.712 120 H MET 17 HN MET 17 -3.117 1.023 -14.210 121 HA MET 17 HA MET 17 -4.305 -0.546 -12.263 122 1HB MET 17 HB2 MET 17 -1.876 -0.515 -12.680 123 2HB MET 17 HB1 MET 17 -1.766 1.086 -11.948 124 1HG MET 17 HG2 MET 17 -2.335 0.262 -9.796 125 2HG MET 17 HG1 MET 17 -2.919 -1.267 -10.450 126 1HE MET 17 HE1 MET 17 -1.632 -1.623 -8.278 127 2HE MET 17 HE3 MET 17 -1.157 -3.128 -9.080 128 3HE MET 17 HE2 MET 17 0.047 -2.156 -8.238 129 NH1 ARG 18 NH1 ARG 18 -0.627 6.845 -13.364 130 NH2 ARG 18 NH2 ARG 18 -2.280 8.345 -13.001 131 H ARG 18 HN ARG 18 -3.012 2.716 -11.544 132 HA ARG 18 HA ARG 18 -4.115 3.040 -9.005 133 1HB ARG 18 HB2 ARG 18 -3.952 5.200 -11.125 134 2HB ARG 18 HB1 ARG 18 -3.982 5.444 -9.378 135 1HG ARG 18 HG2 ARG 18 -1.756 5.143 -9.260 136 2HG ARG 18 HG1 ARG 18 -1.898 3.571 -10.042 137 1HD ARG 18 HD2 ARG 18 -0.450 5.218 -11.293 138 2HD ARG 18 HD1 ARG 18 -1.793 4.572 -12.237 139 HE ARG 18 HE ARG 18 -2.662 6.975 -10.977 140 1HH1 ARG 18 HH11 ARG 18 -0.143 6.010 -13.103 141 2HH1 ARG 18 HH12 ARG 18 -0.331 7.366 -14.164 142 1HH2 ARG 18 HH21 ARG 18 -3.062 8.659 -12.462 143 2HH2 ARG 18 HH22 ARG 18 -1.982 8.866 -13.801 144 NH1 ARG 19 NH2 ARG 19 -11.669 6.133 -14.632 145 NH2 ARG 19 NH1 ARG 19 -10.998 8.025 -15.671 146 H ARG 19 HN ARG 19 -5.748 3.115 -12.099 147 HA ARG 19 HA ARG 19 -8.173 4.357 -11.074 148 1HB ARG 19 HB2 ARG 19 -7.150 3.657 -13.618 149 2HB ARG 19 HB1 ARG 19 -8.648 2.749 -13.416 150 1HG ARG 19 HG2 ARG 19 -9.822 4.835 -12.784 151 2HG ARG 19 HG1 ARG 19 -8.327 5.739 -13.026 152 1HD ARG 19 HD2 ARG 19 -8.354 4.650 -15.405 153 2HD ARG 19 HD1 ARG 19 -10.066 4.385 -15.073 154 HE ARG 19 HE ARG 19 -8.756 7.020 -15.409 155 1HH1 ARG 19 HH21 ARG 19 -11.455 5.239 -14.239 156 2HH1 ARG 19 HH22 ARG 19 -12.608 6.473 -14.620 157 1HH2 ARG 19 HH11 ARG 19 -10.271 8.581 -16.074 158 2HH2 ARG 19 HH12 ARG 19 -11.939 8.365 -15.658 159 H ILE 20 HN ILE 20 -6.967 1.075 -11.443 160 HA ILE 20 HA ILE 20 -9.478 -0.262 -11.022 161 HB ILE 20 HB ILE 20 -6.602 -0.997 -11.036 162 1HG1 ILE 20 HG12 ILE 20 -7.439 -2.782 -12.471 163 2HG1 ILE 20 HG11 ILE 20 -9.102 -2.411 -12.011 164 1HG2 ILE 20 HG22 ILE 20 -8.667 -2.551 -9.451 165 2HG2 ILE 20 HG21 ILE 20 -7.212 -3.297 -10.107 166 3HG2 ILE 20 HG23 ILE 20 -7.073 -2.007 -8.915 167 1HD1 ILE 20 HD12 ILE 20 -7.492 -0.157 -13.092 168 2HD1 ILE 20 HD11 ILE 20 -7.957 -1.412 -14.239 169 3HD1 ILE 20 HD13 ILE 20 -9.196 -0.540 -13.336 170 H VAL 21 HN VAL 21 -6.790 0.473 -8.778 171 HA VAL 21 HA VAL 21 -8.202 -0.476 -6.467 172 HB VAL 21 HB VAL 21 -6.336 1.528 -5.685 173 1HG1 VAL 21 HG11 VAL 21 -6.199 -1.498 -5.829 174 2HG1 VAL 21 HG13 VAL 21 -5.081 -0.489 -4.913 175 3HG1 VAL 21 HG12 VAL 21 -6.787 -0.541 -4.470 176 1HG2 VAL 21 HG22 VAL 21 -5.361 -0.301 -7.905 177 2HG2 VAL 21 HG21 VAL 21 -5.507 1.454 -8.006 178 3HG2 VAL 21 HG23 VAL 21 -4.336 0.730 -6.907 179 NH1 ARG 22 NH1 ARG 22 -7.012 8.909 -10.487 180 NH2 ARG 22 NH2 ARG 22 -5.139 8.536 -9.277 181 H ARG 22 HN ARG 22 -7.914 2.740 -7.945 182 HA ARG 22 HA ARG 22 -9.038 4.340 -5.944 183 1HB ARG 22 HB2 ARG 22 -8.845 4.425 -8.858 184 2HB ARG 22 HB1 ARG 22 -10.291 5.231 -8.259 185 1HG ARG 22 HG2 ARG 22 -8.944 6.606 -6.753 186 2HG ARG 22 HG1 ARG 22 -7.481 5.753 -7.245 187 1HD ARG 22 HD2 ARG 22 -8.904 6.725 -9.570 188 2HD ARG 22 HD1 ARG 22 -8.588 8.048 -8.448 189 HE ARG 22 HE ARG 22 -6.314 6.264 -9.101 190 1HH1 ARG 22 HH11 ARG 22 -7.929 8.631 -10.769 191 2HH1 ARG 22 HH12 ARG 22 -6.611 9.751 -10.848 192 1HH2 ARG 22 HH21 ARG 22 -4.622 7.973 -8.633 193 2HH2 ARG 22 HH22 ARG 22 -4.738 9.378 -9.638 194 H ASN 23 HN ASN 23 -10.802 2.547 -8.471 195 HA ASN 23 HA ASN 23 -13.418 3.090 -7.432 196 1HB ASN 23 HB2 ASN 23 -12.265 1.957 -9.684 197 2HB ASN 23 HB1 ASN 23 -13.066 0.614 -8.915 198 1HD2 ASN 23 HD22 ASN 23 -15.395 3.782 -10.143 199 2HD2 ASN 23 HD21 ASN 23 -13.776 4.061 -9.715 200 H LEU 24 HN LEU 24 -11.506 0.109 -7.526 201 HA LEU 24 HA LEU 24 -13.039 -1.599 -6.018 202 1HB LEU 24 HB2 LEU 24 -10.666 -1.860 -7.071 203 2HB LEU 24 HB1 LEU 24 -10.091 -1.349 -5.500 204 HG LEU 24 HG LEU 24 -12.061 -3.412 -5.109 205 1HD1 LEU 24 HD11 LEU 24 -9.917 -4.030 -7.160 206 2HD1 LEU 24 HD13 LEU 24 -10.745 -5.274 -6.228 207 3HD1 LEU 24 HD12 LEU 24 -11.657 -4.241 -7.327 208 1HD2 LEU 24 HD21 LEU 24 -9.103 -3.113 -4.613 209 2HD2 LEU 24 HD23 LEU 24 -10.424 -3.209 -3.448 210 3HD2 LEU 24 HD22 LEU 24 -9.912 -4.639 -4.332 211 H LEU 25 HN LEU 25 -10.902 0.952 -4.728 212 HA LEU 25 HA LEU 25 -11.422 0.301 -1.945 213 1HB LEU 25 HB2 LEU 25 -10.164 2.589 -3.416 214 2HB LEU 25 HB1 LEU 25 -10.672 2.847 -1.757 215 HG LEU 25 HG LEU 25 -9.094 0.388 -2.401 216 1HD1 LEU 25 HD11 LEU 25 -8.054 3.217 -2.231 217 2HD1 LEU 25 HD13 LEU 25 -7.042 1.840 -1.794 218 3HD1 LEU 25 HD12 LEU 25 -7.677 1.983 -3.433 219 1HD2 LEU 25 HD21 LEU 25 -10.204 1.134 -0.128 220 2HD2 LEU 25 HD23 LEU 25 -8.581 0.443 -0.121 221 3HD2 LEU 25 HD22 LEU 25 -8.797 2.191 -0.014 222 H LYS 26 HN LYS 26 -12.718 2.732 -4.208 223 HA LYS 26 HA LYS 26 -14.514 3.975 -2.440 224 1HB LYS 26 HB2 LYS 26 -14.153 3.799 -5.329 225 2HB LYS 26 HB1 LYS 26 -15.854 3.922 -4.880 226 1HG LYS 26 HG2 LYS 26 -15.468 5.945 -3.644 227 2HG LYS 26 HG1 LYS 26 -13.718 5.760 -3.775 228 1HD LYS 26 HD2 LYS 26 -15.152 5.769 -6.356 229 2HD LYS 26 HD1 LYS 26 -15.222 7.292 -5.468 230 1HE LYS 26 HE2 LYS 26 -12.806 7.388 -5.321 231 2HE LYS 26 HE1 LYS 26 -12.657 5.774 -6.018 232 1HZ LYS 26 HZ2 LYS 26 -13.967 6.805 -7.963 233 2HZ LYS 26 HZ1 LYS 26 -13.450 8.292 -7.323 234 3HZ LYS 26 HZ3 LYS 26 -12.307 7.142 -7.821 235 H GLU 27 HN GLU 27 -14.847 0.996 -4.333 236 HA GLU 27 HA GLU 27 -17.575 0.490 -3.940 237 1HB GLU 27 HB2 GLU 27 -15.159 -1.206 -4.353 238 2HB GLU 27 HB1 GLU 27 -16.625 -2.008 -3.793 239 1HG GLU 27 HG2 GLU 27 -16.806 -0.080 -6.082 240 2HG GLU 27 HG1 GLU 27 -16.198 -1.709 -6.377 241 H LEU 28 HN LEU 28 -14.931 0.387 -1.685 242 HA LEU 28 HA LEU 28 -16.456 -1.134 0.317 243 1HB LEU 28 HB2 LEU 28 -13.707 -0.385 -0.103 244 2HB LEU 28 HB1 LEU 28 -14.212 0.117 1.511 245 HG LEU 28 HG LEU 28 -14.627 -2.667 0.379 246 1HD1 LEU 28 HD11 LEU 28 -12.218 -1.580 1.183 247 2HD1 LEU 28 HD13 LEU 28 -12.819 -2.305 2.673 248 3HD1 LEU 28 HD12 LEU 28 -12.616 -3.296 1.230 249 1HD2 LEU 28 HD21 LEU 28 -15.812 -1.290 2.560 250 2HD2 LEU 28 HD23 LEU 28 -15.940 -3.008 2.180 251 3HD2 LEU 28 HD22 LEU 28 -14.663 -2.432 3.252 252 H GLY 29 HN GLY 29 -15.425 2.209 -0.230 253 1HA GLY 29 HA2 GLY 29 -17.350 3.781 0.583 254 2HA GLY 29 HA1 GLY 29 -16.962 3.060 2.134 255 H PHE 30 HN PHE 30 -14.145 3.261 0.321 256 HA PHE 30 HA PHE 30 -13.243 5.522 1.986 257 1HB PHE 30 HB2 PHE 30 -11.773 3.716 0.046 258 2HB PHE 30 HB1 PHE 30 -10.999 4.966 1.000 259 HD1 PHE 30 HD1 PHE 30 -10.864 4.748 3.470 260 HD2 PHE 30 HD2 PHE 30 -12.522 1.656 1.010 261 HE1 PHE 30 HE1 PHE 30 -10.626 3.128 5.337 262 HE2 PHE 30 HE2 PHE 30 -12.309 0.041 2.880 263 HZ PHE 30 HZ PHE 30 -11.360 0.781 5.048 264 H ASN 31 HN ASN 31 -12.638 7.533 1.142 265 HA ASN 31 HA ASN 31 -12.673 7.918 -1.797 266 1HB ASN 31 HB2 ASN 31 -15.010 8.303 -0.919 267 2HB ASN 31 HB1 ASN 31 -14.362 9.626 0.050 268 1HD2 ASN 31 HD22 ASN 31 -13.288 10.870 -3.509 269 2HD2 ASN 31 HD21 ASN 31 -12.379 9.893 -2.460 270 H ASN 32 HN ASN 32 -10.338 8.043 -0.668 271 HA ASN 32 HA ASN 32 -9.543 10.817 -0.827 272 1HB ASN 32 HB2 ASN 32 -10.407 9.975 1.710 273 2HB ASN 32 HB1 ASN 32 -8.648 9.934 1.794 274 1HD2 ASN 32 HD22 ASN 32 -8.288 13.457 1.616 275 2HD2 ASN 32 HD21 ASN 32 -7.491 11.959 1.599 276 H VAL 33 HN VAL 33 -7.987 10.103 -2.301 277 HA VAL 33 HA VAL 33 -5.689 8.657 -1.127 278 HB VAL 33 HB VAL 33 -6.883 6.797 -2.001 279 1HG1 VAL 33 HG12 VAL 33 -7.711 8.786 -4.031 280 2HG1 VAL 33 HG11 VAL 33 -7.500 7.137 -4.619 281 3HG1 VAL 33 HG13 VAL 33 -8.630 7.467 -3.306 282 1HG2 VAL 33 HG21 VAL 33 -4.439 7.255 -2.874 283 2HG2 VAL 33 HG23 VAL 33 -5.384 5.950 -3.584 284 3HG2 VAL 33 HG22 VAL 33 -5.246 7.495 -4.421 285 H GLU 34 HN GLU 34 -3.713 8.990 -2.355 286 HA GLU 34 HA GLU 34 -3.943 11.104 -4.471 287 1HB GLU 34 HB2 GLU 34 -1.910 10.760 -2.263 288 2HB GLU 34 HB1 GLU 34 -1.627 11.790 -3.664 289 1HG GLU 34 HG2 GLU 34 -4.248 12.322 -2.540 290 2HG GLU 34 HG1 GLU 34 -3.007 12.500 -1.307 291 H GLU 35 HN GLU 35 -1.335 11.038 -5.370 292 HA GLU 35 HA GLU 35 -0.726 8.213 -5.976 293 1HB GLU 35 HB2 GLU 35 -2.457 8.997 -7.635 294 2HB GLU 35 HB1 GLU 35 -1.291 10.195 -8.193 295 1HG GLU 35 HG2 GLU 35 0.047 7.676 -8.103 296 2HG GLU 35 HG1 GLU 35 -1.489 7.439 -8.934 297 H ALA 36 HN ALA 36 1.355 7.884 -6.725 298 HA ALA 36 HA ALA 36 3.117 10.273 -7.024 299 1HB ALA 36 HB3 ALA 36 3.167 8.384 -4.874 300 2HB ALA 36 HB2 ALA 36 4.606 8.127 -5.860 301 3HB ALA 36 HB1 ALA 36 4.277 9.718 -5.173 302 H GLU 37 HN GLU 37 5.452 8.917 -7.638 303 HA GLU 37 HA GLU 37 4.705 7.009 -9.806 304 1HB GLU 37 HB2 GLU 37 6.297 8.259 -11.325 305 2HB GLU 37 HB1 GLU 37 4.806 9.124 -10.946 306 1HG GLU 37 HG2 GLU 37 5.964 10.396 -9.195 307 2HG GLU 37 HG1 GLU 37 7.453 9.508 -9.517 308 H ASP 38 HN ASP 38 6.648 7.674 -7.180 309 HA ASP 38 HA ASP 38 8.302 5.370 -7.582 310 1HB ASP 38 HB2 ASP 38 10.394 6.258 -8.175 311 2HB ASP 38 HB1 ASP 38 9.310 7.190 -9.201 312 H GLY 39 HN GLY 39 10.556 6.318 -6.042 313 1HA GLY 39 HA2 GLY 39 9.190 6.529 -3.448 314 2HA GLY 39 HA1 GLY 39 10.920 6.262 -3.670 315 H VAL 40 HN VAL 40 11.469 8.447 -5.402 316 HA VAL 40 HA VAL 40 11.879 10.569 -3.600 317 HB VAL 40 HB VAL 40 11.502 10.643 -6.610 318 1HG1 VAL 40 HG11 VAL 40 12.222 12.767 -4.608 319 2HG1 VAL 40 HG13 VAL 40 12.909 12.826 -6.231 320 3HG1 VAL 40 HG12 VAL 40 11.161 12.877 -6.012 321 1HG2 VAL 40 HG23 VAL 40 13.966 10.645 -4.836 322 2HG2 VAL 40 HG22 VAL 40 13.412 9.300 -5.833 323 3HG2 VAL 40 HG21 VAL 40 13.981 10.786 -6.594 324 H ASP 41 HN ASP 41 9.123 9.802 -5.657 325 HA ASP 41 HA ASP 41 7.679 12.249 -5.012 326 1HB ASP 41 HB2 ASP 41 7.419 10.734 -7.095 327 2HB ASP 41 HB1 ASP 41 6.445 9.702 -6.052 328 H ALA 42 HN ALA 42 7.189 8.793 -4.151 329 HA ALA 42 HA ALA 42 5.084 9.217 -2.321 330 1HB ALA 42 HB1 ALA 42 6.455 7.029 -3.197 331 2HB ALA 42 HB3 ALA 42 7.030 7.144 -1.536 332 3HB ALA 42 HB2 ALA 42 5.303 7.002 -1.864 333 H LEU 43 HN LEU 43 8.587 8.959 -1.569 334 HA LEU 43 HA LEU 43 8.404 9.472 1.187 335 1HB LEU 43 HB2 LEU 43 10.516 9.804 -0.868 336 2HB LEU 43 HB1 LEU 43 10.726 10.735 0.612 337 HG LEU 43 HG LEU 43 10.538 8.727 1.967 338 1HD1 LEU 43 HD12 LEU 43 9.624 7.587 -0.629 339 2HD1 LEU 43 HD11 LEU 43 10.574 6.530 0.415 340 3HD1 LEU 43 HD13 LEU 43 9.073 7.236 1.010 341 1HD2 LEU 43 HD21 LEU 43 12.419 8.509 -0.396 342 2HD2 LEU 43 HD23 LEU 43 12.773 9.146 1.210 343 3HD2 LEU 43 HD22 LEU 43 12.498 7.419 0.988 344 H ASN 44 HN ASN 44 9.141 11.937 -1.320 345 HA ASN 44 HA ASN 44 8.969 14.173 0.386 346 1HB ASN 44 HB2 ASN 44 8.568 13.763 -2.555 347 2HB ASN 44 HB1 ASN 44 8.168 15.329 -1.847 348 1HD2 ASN 44 HD22 ASN 44 12.087 14.141 -2.034 349 2HD2 ASN 44 HD21 ASN 44 10.848 13.013 -2.308 350 H LYS 45 HN LYS 45 6.375 12.382 -1.207 351 HA LYS 45 HA LYS 45 4.375 14.357 -0.310 352 1HB LYS 45 HB2 LYS 45 4.314 11.888 -2.017 353 2HB LYS 45 HB1 LYS 45 2.811 12.504 -1.335 354 1HG LYS 45 HG2 LYS 45 4.690 14.386 -2.739 355 2HG LYS 45 HG1 LYS 45 3.608 13.365 -3.685 356 1HD LYS 45 HD2 LYS 45 2.350 14.783 -1.402 357 2HD LYS 45 HD1 LYS 45 2.898 15.807 -2.728 358 1HE LYS 45 HE2 LYS 45 0.561 15.059 -3.066 359 2HE LYS 45 HE1 LYS 45 1.627 14.448 -4.332 360 1HZ LYS 45 HZ2 LYS 45 1.847 12.398 -2.905 361 2HZ LYS 45 HZ1 LYS 45 0.533 12.986 -2.002 362 3HZ LYS 45 HZ3 LYS 45 0.338 12.631 -3.650 363 H LEU 46 HN LEU 46 5.730 11.375 0.837 364 HA LEU 46 HA LEU 46 3.516 10.389 2.328 365 1HB LEU 46 HB2 LEU 46 6.283 9.767 2.087 366 2HB LEU 46 HB1 LEU 46 5.943 9.959 3.801 367 HG LEU 46 HG LEU 46 5.593 7.623 3.090 368 1HD1 LEU 46 HD13 LEU 46 3.851 9.195 4.572 369 2HD1 LEU 46 HD12 LEU 46 2.786 8.337 3.459 370 3HD1 LEU 46 HD11 LEU 46 3.863 7.432 4.522 371 1HD2 LEU 46 HD22 LEU 46 4.408 8.854 0.810 372 2HD2 LEU 46 HD21 LEU 46 4.630 7.132 1.115 373 3HD2 LEU 46 HD23 LEU 46 3.144 7.933 1.625 374 H GLN 47 HN GLN 47 5.566 13.131 2.825 375 HA GLN 47 HA GLN 47 4.749 13.399 5.657 376 1HB GLN 47 HB2 GLN 47 6.629 14.884 3.832 377 2HB GLN 47 HB1 GLN 47 6.075 15.635 5.330 378 1HG GLN 47 HG2 GLN 47 7.078 13.995 6.676 379 2HG GLN 47 HG1 GLN 47 7.171 12.832 5.353 380 1HE2 GLN 47 HE22 GLN 47 10.129 15.605 5.819 381 2HE2 GLN 47 HE21 GLN 47 8.727 15.677 6.772 382 H ALA 48 HN ALA 48 3.409 14.019 2.705 383 HA ALA 48 HA ALA 48 2.397 16.586 2.668 384 1HB ALA 48 HB2 ALA 48 1.040 13.969 2.001 385 2HB ALA 48 HB1 ALA 48 0.282 15.531 1.691 386 3HB ALA 48 HB3 ALA 48 1.796 15.111 0.889 387 H GLY 49 HN GLY 49 0.394 13.935 3.996 388 1HA GLY 49 HA2 GLY 49 -0.377 15.762 6.242 389 2HA GLY 49 HA1 GLY 49 -1.610 14.908 5.315 390 H GLY 50 HN GLY 50 0.442 12.595 5.139 391 1HA GLY 50 HA2 GLY 50 1.349 11.011 6.800 392 2HA GLY 50 HA1 GLY 50 0.112 11.561 7.925 393 OH TYR 51 OH TYR 51 -0.799 12.143 -0.743 394 H TYR 51 HN TYR 51 0.307 10.188 4.642 395 HA TYR 51 HA TYR 51 -2.263 9.192 4.367 396 1HB TYR 51 HB2 TYR 51 0.378 7.961 3.558 397 2HB TYR 51 HB1 TYR 51 -1.178 7.335 3.034 398 HD1 TYR 51 HD2 TYR 51 -2.707 8.761 1.653 399 HD2 TYR 51 HD1 TYR 51 1.285 9.952 2.647 400 HE1 TYR 51 HE2 TYR 51 -2.779 10.481 -0.133 401 HE2 TYR 51 HE1 TYR 51 1.221 11.661 0.857 402 HH TYR 51 HH TYR 51 -0.694 13.002 -0.327 403 H GLY 52 HN GLY 52 -3.414 8.012 5.820 404 1HA GLY 52 HA2 GLY 52 -2.162 6.410 7.869 405 2HA GLY 52 HA1 GLY 52 -3.881 6.421 7.487 406 H PHE 53 HN PHE 53 -2.282 5.922 4.640 407 HA PHE 53 HA PHE 53 -1.748 3.066 4.920 408 1HB PHE 53 HB2 PHE 53 -4.382 3.793 4.515 409 2HB PHE 53 HB1 PHE 53 -3.822 3.519 2.879 410 HD1 PHE 53 HD1 PHE 53 -1.764 1.269 3.564 411 HD2 PHE 53 HD2 PHE 53 -5.845 1.973 4.683 412 HE1 PHE 53 HE1 PHE 53 -2.098 -1.151 3.901 413 HE2 PHE 53 HE2 PHE 53 -6.181 -0.431 5.023 414 HZ PHE 53 HZ PHE 53 -4.297 -2.015 4.636 415 H VAL 54 HN VAL 54 -0.422 2.378 3.166 416 HA VAL 54 HA VAL 54 -0.216 4.252 0.844 417 HB VAL 54 HB VAL 54 2.130 3.128 2.393 418 1HG1 VAL 54 HG11 VAL 54 1.829 4.138 -0.335 419 2HG1 VAL 54 HG13 VAL 54 3.027 5.044 0.589 420 3HG1 VAL 54 HG12 VAL 54 3.193 3.297 0.403 421 1HG2 VAL 54 HG23 VAL 54 0.865 5.855 2.159 422 2HG2 VAL 54 HG22 VAL 54 1.369 4.996 3.613 423 3HG2 VAL 54 HG21 VAL 54 2.580 5.693 2.537 424 H ILE 55 HN ILE 55 -0.530 3.175 -0.969 425 HA ILE 55 HA ILE 55 0.089 0.244 -1.067 426 HB ILE 55 HB ILE 55 -1.736 1.827 -2.905 427 1HG1 ILE 55 HG12 ILE 55 -2.544 0.105 -0.540 428 2HG1 ILE 55 HG11 ILE 55 -2.504 1.867 -0.496 429 1HG2 ILE 55 HG23 ILE 55 -0.768 -0.398 -3.643 430 2HG2 ILE 55 HG22 ILE 55 -1.649 -1.139 -2.307 431 3HG2 ILE 55 HG21 ILE 55 -2.529 -0.328 -3.603 432 1HD1 ILE 55 HD11 ILE 55 -3.931 0.902 -2.840 433 2HD1 ILE 55 HD13 ILE 55 -4.646 0.285 -1.351 434 3HD1 ILE 55 HD12 ILE 55 -4.467 2.024 -1.590 435 H SER 56 HN SER 56 1.505 -0.452 -2.693 436 HA SER 56 HA SER 56 2.130 1.181 -5.005 437 1HB SER 56 HB2 SER 56 4.292 0.935 -2.894 438 2HB SER 56 HB1 SER 56 4.472 1.662 -4.477 439 HG SER 56 HG SER 56 3.246 2.605 -2.181 440 H ASP 57 HN ASP 57 3.652 0.049 -6.443 441 HA ASP 57 HA ASP 57 3.251 -2.769 -6.462 442 1HB ASP 57 HB2 ASP 57 5.327 -1.095 -7.897 443 2HB ASP 57 HB1 ASP 57 4.965 -2.780 -8.273 444 CH2 TRP 58 CH2 TRP 58 10.195 -5.730 -0.444 445 H TRP 58 HN TRP 58 6.360 -2.987 -7.171 446 HA TRP 58 HA TRP 58 7.680 -2.902 -4.610 447 1HB TRP 58 HB2 TRP 58 6.237 -4.717 -3.982 448 2HB TRP 58 HB1 TRP 58 6.502 -5.540 -5.517 449 HD1 TRP 58 HD1 TRP 58 8.737 -6.885 -5.838 450 HE1 TRP 58 HE1 TRP 58 10.552 -7.682 -4.189 451 HE3 TRP 58 HE3 TRP 58 7.525 -4.061 -1.759 452 HZ2 TRP 58 HZ2 TRP 58 11.380 -7.188 -1.494 453 HZ3 TRP 58 HZ3 TRP 58 8.841 -4.244 0.332 454 HH2 TRP 58 HH2 TRP 58 10.764 -5.810 0.473 455 H ASN 59 HN ASN 59 7.657 -3.269 -7.924 456 HA ASN 59 HA ASN 59 10.581 -3.818 -7.920 457 1HB ASN 59 HB2 ASN 59 10.081 -5.239 -10.061 458 2HB ASN 59 HB1 ASN 59 9.874 -5.980 -8.473 459 1HD2 ASN 59 HD22 ASN 59 6.265 -4.615 -9.733 460 2HD2 ASN 59 HD21 ASN 59 7.543 -3.550 -9.399 461 H MET 60 HN MET 60 7.831 -2.204 -9.211 462 HA MET 60 HA MET 60 9.181 -1.349 -11.650 463 1HB MET 60 HB2 MET 60 6.834 -1.524 -11.858 464 2HB MET 60 HB1 MET 60 6.541 -0.616 -10.382 465 1HG MET 60 HG2 MET 60 6.152 0.662 -12.546 466 2HG MET 60 HG1 MET 60 7.241 1.442 -11.402 467 1HE MET 60 HE2 MET 60 6.599 0.049 -14.773 468 2HE MET 60 HE1 MET 60 8.145 -0.450 -15.451 469 3HE MET 60 HE3 MET 60 7.397 -1.396 -14.158 470 HA PRO 61 HA PRO 61 9.465 2.738 -9.073 471 1HB PRO 61 HB2 PRO 61 10.151 1.991 -6.365 472 2HB PRO 61 HB1 PRO 61 8.745 2.908 -6.923 473 1HG PRO 61 HG2 PRO 61 8.750 0.259 -5.889 474 2HG PRO 61 HG1 PRO 61 7.385 1.108 -6.628 475 1HD PRO 61 HD2 PRO 61 9.048 -1.028 -7.733 476 2HD PRO 61 HD1 PRO 61 7.499 -0.406 -8.330 477 H ASN 62 HN ASN 62 11.591 2.909 -6.965 478 HA ASN 62 HA ASN 62 13.898 2.777 -8.605 479 1HB ASN 62 HB2 ASN 62 14.482 2.370 -5.766 480 2HB ASN 62 HB1 ASN 62 14.900 3.728 -6.811 481 1HD2 ASN 62 HD21 ASN 62 12.262 2.398 -4.795 482 2HD2 ASN 62 HD22 ASN 62 11.460 3.880 -4.583 483 H MET 63 HN MET 63 15.788 1.351 -6.989 484 HA MET 63 HA MET 63 15.894 -1.158 -8.156 485 1HB MET 63 HB2 MET 63 17.680 -0.127 -6.716 486 2HB MET 63 HB1 MET 63 16.740 -0.595 -5.299 487 1HG MET 63 HG2 MET 63 17.673 -2.639 -5.386 488 2HG MET 63 HG1 MET 63 16.922 -2.891 -6.960 489 1HE MET 63 HE3 MET 63 17.946 -2.682 -9.154 490 2HE MET 63 HE2 MET 63 18.104 -0.943 -8.916 491 3HE MET 63 HE1 MET 63 19.470 -1.868 -9.536 492 H ASP 64 HN ASP 64 13.834 -0.130 -5.539 493 HA ASP 64 HA ASP 64 12.034 -2.292 -5.785 494 1HB ASP 64 HB2 ASP 64 12.716 -3.309 -3.423 495 2HB ASP 64 HB1 ASP 64 13.454 -3.903 -4.911 496 H GLY 65 HN GLY 65 10.179 -1.717 -4.684 497 1HA GLY 65 HA2 GLY 65 10.040 0.807 -3.362 498 2HA GLY 65 HA1 GLY 65 8.769 -0.413 -3.322 499 H LEU 66 HN LEU 66 11.571 -1.874 -2.241 500 HA LEU 66 HA LEU 66 10.602 -2.037 0.459 501 1HB LEU 66 HB2 LEU 66 11.991 -3.836 -0.356 502 2HB LEU 66 HB1 LEU 66 13.291 -2.721 -0.766 503 HG LEU 66 HG LEU 66 13.755 -2.274 1.546 504 1HD1 LEU 66 HD11 LEU 66 11.132 -3.695 2.021 505 2HD1 LEU 66 HD13 LEU 66 12.328 -3.524 3.306 506 3HD1 LEU 66 HD12 LEU 66 11.622 -2.090 2.563 507 1HD2 LEU 66 HD21 LEU 66 14.204 -4.679 0.434 508 2HD2 LEU 66 HD23 LEU 66 14.679 -4.310 2.091 509 3HD2 LEU 66 HD22 LEU 66 13.182 -5.190 1.778 510 H GLU 67 HN GLU 67 13.574 -0.467 -0.815 511 HA GLU 67 HA GLU 67 14.277 0.977 1.488 512 1HB GLU 67 HB2 GLU 67 15.742 1.065 -0.419 513 2HB GLU 67 HB1 GLU 67 14.471 1.737 -1.441 514 1HG GLU 67 HG2 GLU 67 14.543 3.835 -0.353 515 2HG GLU 67 HG1 GLU 67 15.409 3.181 1.037 516 H LEU 68 HN LEU 68 11.882 1.707 -1.000 517 HA LEU 68 HA LEU 68 11.089 4.296 -0.127 518 1HB LEU 68 HB2 LEU 68 10.415 2.901 -2.234 519 2HB LEU 68 HB1 LEU 68 9.159 2.237 -1.203 520 HG LEU 68 HG LEU 68 9.578 5.199 -1.646 521 1HD1 LEU 68 HD12 LEU 68 7.739 3.208 -3.005 522 2HD1 LEU 68 HD11 LEU 68 7.501 4.952 -3.088 523 3HD1 LEU 68 HD13 LEU 68 8.958 4.228 -3.768 524 1HD2 LEU 68 HD23 LEU 68 7.681 3.543 -0.058 525 2HD2 LEU 68 HD22 LEU 68 8.252 5.186 0.222 526 3HD2 LEU 68 HD21 LEU 68 6.978 4.883 -0.956 527 H LEU 69 HN LEU 69 10.237 1.060 0.925 528 HA LEU 69 HA LEU 69 8.200 1.966 2.827 529 1HB LEU 69 HB2 LEU 69 8.844 -0.403 1.530 530 2HB LEU 69 HB1 LEU 69 9.279 -0.714 3.205 531 HG LEU 69 HG LEU 69 6.581 0.376 2.348 532 1HD1 LEU 69 HD11 LEU 69 7.389 -2.123 1.737 533 2HD1 LEU 69 HD13 LEU 69 6.941 -2.374 3.419 534 3HD1 LEU 69 HD12 LEU 69 5.752 -1.772 2.271 535 1HD2 LEU 69 HD23 LEU 69 7.750 0.516 4.793 536 2HD2 LEU 69 HD22 LEU 69 6.018 0.305 4.573 537 3HD2 LEU 69 HD21 LEU 69 7.040 -1.090 4.881 538 H LYS 70 HN LYS 70 11.214 0.100 3.230 539 HA LYS 70 HA LYS 70 11.651 0.154 5.909 540 1HB LYS 70 HB2 LYS 70 13.249 -0.538 3.963 541 2HB LYS 70 HB1 LYS 70 13.903 1.090 4.148 542 1HG LYS 70 HG2 LYS 70 14.318 0.653 6.542 543 2HG LYS 70 HG1 LYS 70 13.675 -0.978 6.354 544 1HD LYS 70 HD2 LYS 70 15.444 -1.552 4.789 545 2HD LYS 70 HD1 LYS 70 16.044 0.107 4.805 546 1HE LYS 70 HE2 LYS 70 15.817 -1.419 7.384 547 2HE LYS 70 HE1 LYS 70 17.202 -1.689 6.327 548 1HZ LYS 70 HZ1 LYS 70 17.511 0.772 6.327 549 2HZ LYS 70 HZ3 LYS 70 16.336 0.870 7.547 550 3HZ LYS 70 HZ2 LYS 70 17.783 0.025 7.830 551 H THR 71 HN THR 71 12.459 2.933 3.788 552 HA THR 71 HA THR 71 13.404 4.709 5.738 553 HB THR 71 HB THR 71 11.679 5.217 3.300 554 HG1 THR 71 HG1 THR 71 13.619 4.746 2.579 555 1HG2 THR 71 HG23 THR 71 12.662 7.070 5.417 556 2HG2 THR 71 HG22 THR 71 12.788 7.613 3.744 557 3HG2 THR 71 HG21 THR 71 11.216 7.176 4.413 558 H ILE 72 HN ILE 72 10.030 4.063 4.799 559 HA ILE 72 HA ILE 72 8.764 5.855 6.598 560 HB ILE 72 HB ILE 72 7.765 3.103 5.806 561 1HG1 ILE 72 HG12 ILE 72 7.339 5.732 4.347 562 2HG1 ILE 72 HG11 ILE 72 8.548 4.549 3.863 563 1HG2 ILE 72 HG23 ILE 72 6.687 5.102 7.462 564 2HG2 ILE 72 HG22 ILE 72 5.822 5.254 5.932 565 3HG2 ILE 72 HG21 ILE 72 5.832 3.713 6.790 566 1HD1 ILE 72 HD13 ILE 72 6.410 2.913 3.980 567 2HD1 ILE 72 HD12 ILE 72 5.581 4.426 3.629 568 3HD1 ILE 72 HD11 ILE 72 6.820 3.826 2.529 569 NH1 ARG 73 NH1 ARG 73 13.110 -3.327 10.464 570 NH2 ARG 73 NH2 ARG 73 12.041 -3.647 12.430 571 H ARG 73 HN ARG 73 10.150 2.649 7.074 572 HA ARG 73 HA ARG 73 9.070 2.210 9.710 573 1HB ARG 73 HB2 ARG 73 10.174 0.483 8.161 574 2HB ARG 73 HB1 ARG 73 11.716 1.144 8.707 575 1HG ARG 73 HG2 ARG 73 10.665 0.800 11.106 576 2HG ARG 73 HG1 ARG 73 9.647 -0.368 10.264 577 1HD ARG 73 HD2 ARG 73 12.022 -1.110 9.257 578 2HD ARG 73 HD1 ARG 73 12.580 -0.444 10.792 579 HE ARG 73 HE ARG 73 10.333 -2.215 11.192 580 1HH1 ARG 73 HH11 ARG 73 13.189 -2.850 9.589 581 2HH1 ARG 73 HH12 ARG 73 13.771 -4.036 10.709 582 1HH2 ARG 73 HH21 ARG 73 11.299 -3.415 13.060 583 2HH2 ARG 73 HH22 ARG 73 12.702 -4.356 12.675 584 H ALA 74 HN ALA 74 11.708 4.116 8.475 585 HA ALA 74 HA ALA 74 13.443 4.348 10.639 586 1HB ALA 74 HB2 ALA 74 13.694 5.578 8.484 587 2HB ALA 74 HB1 ALA 74 12.389 6.659 8.977 588 3HB ALA 74 HB3 ALA 74 13.903 6.632 9.883 589 H ASP 75 HN ASP 75 10.153 5.511 10.361 590 HA ASP 75 HA ASP 75 10.354 7.104 12.830 591 1HB ASP 75 HB2 ASP 75 8.380 6.719 10.666 592 2HB ASP 75 HB1 ASP 75 7.673 6.926 12.269 593 H GLY 76 HN GLY 76 10.996 5.296 14.227 594 1HA GLY 76 HA2 GLY 76 9.406 2.944 14.572 595 2HA GLY 76 HA1 GLY 76 10.527 3.593 15.771 596 H ALA 77 HN ALA 77 9.195 6.185 15.965 597 HA ALA 77 HA ALA 77 7.472 5.790 18.115 598 1HB ALA 77 HB1 ALA 77 7.449 7.980 16.021 599 2HB ALA 77 HB3 ALA 77 6.474 8.037 17.490 600 3HB ALA 77 HB2 ALA 77 8.234 8.015 17.600 601 H MET 78 HN MET 78 6.673 5.756 14.661 602 HA MET 78 HA MET 78 3.831 5.207 15.305 603 1HB MET 78 HB2 MET 78 5.140 5.435 12.583 604 2HB MET 78 HB1 MET 78 3.415 5.505 12.945 605 1HG MET 78 HG2 MET 78 4.589 7.461 14.587 606 2HG MET 78 HG1 MET 78 5.380 7.635 13.021 607 1HE MET 78 HE3 MET 78 4.547 9.845 12.363 608 2HE MET 78 HE2 MET 78 4.434 8.690 11.037 609 3HE MET 78 HE1 MET 78 3.141 9.860 11.289 610 H SER 79 HN SER 79 6.023 3.809 12.875 611 HA SER 79 HA SER 79 6.288 1.577 12.191 612 1HB SER 79 HB2 SER 79 6.833 1.732 14.911 613 2HB SER 79 HB1 SER 79 5.687 0.399 14.804 614 HG SER 79 HG SER 79 7.049 -0.443 13.113 615 H ALA 80 HN ALA 80 3.439 2.837 12.834 616 HA ALA 80 HA ALA 80 1.913 0.269 12.761 617 1HB ALA 80 HB3 ALA 80 1.511 2.711 14.164 618 2HB ALA 80 HB2 ALA 80 0.215 2.567 12.977 619 3HB ALA 80 HB1 ALA 80 0.474 1.284 14.158 620 H LEU 81 HN LEU 81 2.524 3.274 11.050 621 HA LEU 81 HA LEU 81 0.647 3.641 9.170 622 1HB LEU 81 HB2 LEU 81 3.376 4.147 9.297 623 2HB LEU 81 HB1 LEU 81 3.182 3.288 7.774 624 HG LEU 81 HG LEU 81 2.911 5.667 7.370 625 1HD1 LEU 81 HD11 LEU 81 1.098 3.723 6.622 626 2HD1 LEU 81 HD13 LEU 81 0.057 4.993 7.264 627 3HD1 LEU 81 HD12 LEU 81 1.179 5.350 5.952 628 1HD2 LEU 81 HD22 LEU 81 1.661 5.618 9.923 629 2HD2 LEU 81 HD21 LEU 81 1.981 7.024 8.908 630 3HD2 LEU 81 HD23 LEU 81 0.445 6.167 8.769 631 HA PRO 82 HA PRO 82 0.311 -0.730 7.782 632 1HB PRO 82 HB2 PRO 82 -2.212 -0.090 6.572 633 2HB PRO 82 HB1 PRO 82 -1.919 -1.061 8.016 634 1HG PRO 82 HG2 PRO 82 -3.080 1.549 7.908 635 2HG PRO 82 HG1 PRO 82 -2.667 0.623 9.357 636 1HD PRO 82 HD2 PRO 82 -1.310 2.939 8.237 637 2HD PRO 82 HD1 PRO 82 -1.016 2.130 9.786 638 H VAL 83 HN VAL 83 0.873 -1.515 5.791 639 HA VAL 83 HA VAL 83 0.517 0.234 3.391 640 HB VAL 83 HB VAL 83 3.011 -1.196 4.329 641 1HG1 VAL 83 HG12 VAL 83 2.056 -0.713 1.508 642 2HG1 VAL 83 HG11 VAL 83 3.775 -0.635 1.869 643 3HG1 VAL 83 HG13 VAL 83 2.882 -2.122 2.176 644 1HG2 VAL 83 HG23 VAL 83 2.208 1.524 4.089 645 2HG2 VAL 83 HG22 VAL 83 3.798 0.906 4.506 646 3HG2 VAL 83 HG21 VAL 83 3.398 1.228 2.822 647 H LEU 84 HN LEU 84 -0.190 -0.843 1.642 648 HA LEU 84 HA LEU 84 -0.328 -3.805 1.865 649 1HB LEU 84 HB2 LEU 84 -2.568 -2.669 2.042 650 2HB LEU 84 HB1 LEU 84 -2.299 -2.014 0.429 651 HG LEU 84 HG LEU 84 -2.029 -4.339 -0.435 652 1HD1 LEU 84 HD11 LEU 84 -2.450 -4.944 2.460 653 2HD1 LEU 84 HD13 LEU 84 -3.186 -6.032 1.287 654 3HD1 LEU 84 HD12 LEU 84 -1.443 -5.774 1.274 655 1HD2 LEU 84 HD23 LEU 84 -4.221 -3.071 -0.401 656 2HD2 LEU 84 HD22 LEU 84 -4.364 -4.827 -0.488 657 3HD2 LEU 84 HD21 LEU 84 -4.644 -3.995 1.040 658 H MET 85 HN MET 85 1.880 -3.425 0.813 659 HA MET 85 HA MET 85 2.181 -2.313 -1.735 660 1HB MET 85 HB2 MET 85 4.265 -3.233 -1.676 661 2HB MET 85 HB1 MET 85 3.829 -3.700 -0.037 662 1HG MET 85 HG2 MET 85 2.919 -5.866 -1.008 663 2HG MET 85 HG1 MET 85 3.657 -5.399 -2.542 664 1HE MET 85 HE2 MET 85 4.633 -7.947 -1.971 665 2HE MET 85 HE1 MET 85 5.487 -6.875 -3.078 666 3HE MET 85 HE3 MET 85 6.387 -7.815 -1.880 667 H VAL 86 HN VAL 86 2.510 -3.709 -3.807 668 HA VAL 86 HA VAL 86 0.501 -5.903 -3.958 669 HB VAL 86 HB VAL 86 0.601 -3.558 -5.877 670 1HG1 VAL 86 HG13 VAL 86 -1.303 -5.896 -5.556 671 2HG1 VAL 86 HG12 VAL 86 -1.556 -4.533 -6.648 672 3HG1 VAL 86 HG11 VAL 86 -0.193 -5.619 -6.898 673 1HG2 VAL 86 HG21 VAL 86 -1.125 -4.155 -3.474 674 2HG2 VAL 86 HG23 VAL 86 -0.282 -2.662 -3.875 675 3HG2 VAL 86 HG22 VAL 86 -1.713 -3.136 -4.786 676 H THR 87 HN THR 87 1.259 -7.585 -5.201 677 HA THR 87 HA THR 87 3.269 -6.994 -7.312 678 HB THR 87 HB THR 87 4.663 -7.318 -5.335 679 HG1 THR 87 HG1 THR 87 5.958 -8.589 -6.397 680 1HG2 THR 87 HG22 THR 87 2.993 -8.598 -4.023 681 2HG2 THR 87 HG21 THR 87 3.262 -9.990 -5.073 682 3HG2 THR 87 HG23 THR 87 4.567 -9.394 -4.047 683 H ALA 88 HN ALA 88 3.787 -9.020 -8.590 684 HA ALA 88 HA ALA 88 1.414 -10.854 -8.627 685 1HB ALA 88 HB1 ALA 88 2.128 -9.108 -10.597 686 2HB ALA 88 HB3 ALA 88 3.007 -10.553 -11.098 687 3HB ALA 88 HB2 ALA 88 1.257 -10.613 -10.887 688 H GLU 89 HN GLU 89 3.945 -11.239 -7.154 689 HA GLU 89 HA GLU 89 4.577 -13.900 -8.239 690 1HB GLU 89 HB2 GLU 89 6.199 -11.809 -9.020 691 2HB GLU 89 HB1 GLU 89 7.040 -12.426 -7.598 692 1HG GLU 89 HG2 GLU 89 6.727 -14.760 -8.623 693 2HG GLU 89 HG1 GLU 89 6.288 -13.924 -10.113 694 H ALA 90 HN ALA 90 5.975 -11.559 -5.909 695 HA ALA 90 HA ALA 90 6.424 -11.804 -3.621 696 1HB ALA 90 HB1 ALA 90 3.856 -12.173 -3.785 697 2HB ALA 90 HB3 ALA 90 4.236 -13.879 -3.551 698 3HB ALA 90 HB2 ALA 90 4.676 -12.701 -2.315 699 H LYS 91 HN LYS 91 8.476 -12.871 -4.126 700 HA LYS 91 HA LYS 91 8.673 -15.727 -4.414 701 1HB LYS 91 HB2 LYS 91 10.722 -13.685 -3.500 702 2HB LYS 91 HB1 LYS 91 11.080 -15.347 -3.955 703 1HG LYS 91 HG2 LYS 91 11.114 -14.800 -6.133 704 2HG LYS 91 HG1 LYS 91 9.492 -14.117 -6.019 705 1HD LYS 91 HD2 LYS 91 10.484 -12.011 -5.111 706 2HD LYS 91 HD1 LYS 91 12.090 -12.696 -5.361 707 1HE LYS 91 HE2 LYS 91 10.210 -11.555 -7.319 708 2HE LYS 91 HE1 LYS 91 11.962 -11.727 -7.410 709 1HZ LYS 91 HZ2 LYS 91 10.032 -13.952 -7.783 710 2HZ LYS 91 HZ1 LYS 91 10.764 -13.091 -9.052 711 3HZ LYS 91 HZ3 LYS 91 11.716 -14.021 -8.000 712 H LYS 92 HN LYS 92 7.423 -14.169 -1.900 713 HA LYS 92 HA LYS 92 7.010 -14.879 0.306 714 1HB LYS 92 HB2 LYS 92 7.613 -17.204 -0.929 715 2HB LYS 92 HB1 LYS 92 8.981 -17.105 0.179 716 1HG LYS 92 HG2 LYS 92 7.368 -16.719 2.056 717 2HG LYS 92 HG1 LYS 92 6.044 -16.989 0.922 718 1HD LYS 92 HD2 LYS 92 8.240 -18.981 1.570 719 2HD LYS 92 HD1 LYS 92 6.581 -19.057 2.163 720 1HE LYS 92 HE2 LYS 92 6.376 -20.434 0.321 721 2HE LYS 92 HE1 LYS 92 6.038 -18.885 -0.449 722 1HZ LYS 92 HZ1 LYS 92 8.777 -19.121 -0.434 723 2HZ LYS 92 HZ3 LYS 92 8.213 -20.660 -0.872 724 3HZ LYS 92 HZ2 LYS 92 7.747 -19.297 -1.773 725 H GLU 93 HN GLU 93 10.422 -15.824 -0.247 726 HA GLU 93 HA GLU 93 11.433 -14.870 2.171 727 1HB GLU 93 HB2 GLU 93 12.742 -16.218 0.558 728 2HB GLU 93 HB1 GLU 93 12.828 -14.823 -0.518 729 1HG GLU 93 HG2 GLU 93 14.091 -13.558 1.100 730 2HG GLU 93 HG1 GLU 93 13.845 -14.794 2.334 731 H ASN 94 HN ASN 94 11.021 -13.107 -0.893 732 HA ASN 94 HA ASN 94 12.140 -10.632 0.061 733 1HB ASN 94 HB2 ASN 94 11.651 -9.844 -2.026 734 2HB ASN 94 HB1 ASN 94 11.366 -11.548 -2.382 735 1HD2 ASN 94 HD22 ASN 94 8.201 -8.973 -2.159 736 2HD2 ASN 94 HD21 ASN 94 9.753 -8.461 -1.700 737 H ILE 95 HN ILE 95 9.112 -12.195 0.598 738 HA ILE 95 HA ILE 95 7.701 -9.710 1.281 739 HB ILE 95 HB ILE 95 6.898 -12.592 1.801 740 1HG1 ILE 95 HG12 ILE 95 7.288 -11.715 -0.667 741 2HG1 ILE 95 HG11 ILE 95 5.847 -12.649 -0.280 742 1HG2 ILE 95 HG22 ILE 95 5.473 -9.940 1.988 743 2HG2 ILE 95 HG21 ILE 95 4.579 -11.441 1.741 744 3HG2 ILE 95 HG23 ILE 95 5.564 -11.230 3.188 745 1HD1 ILE 95 HD12 ILE 95 5.816 -9.645 -0.062 746 2HD1 ILE 95 HD11 ILE 95 5.563 -10.436 -1.615 747 3HD1 ILE 95 HD13 ILE 95 4.465 -10.755 -0.275 748 H ILE 96 HN ILE 96 9.868 -11.847 2.829 749 HA ILE 96 HA ILE 96 8.845 -11.434 5.535 750 HB ILE 96 HB ILE 96 11.550 -12.445 4.610 751 1HG1 ILE 96 HG12 ILE 96 9.109 -13.991 5.547 752 2HG1 ILE 96 HG11 ILE 96 9.555 -13.787 3.852 753 1HG2 ILE 96 HG23 ILE 96 10.129 -12.484 7.290 754 2HG2 ILE 96 HG22 ILE 96 11.569 -13.437 6.932 755 3HG2 ILE 96 HG21 ILE 96 11.649 -11.676 6.907 756 1HD1 ILE 96 HD13 ILE 96 11.830 -14.768 4.469 757 2HD1 ILE 96 HD12 ILE 96 11.115 -15.212 6.017 758 3HD1 ILE 96 HD11 ILE 96 10.473 -15.893 4.523 759 H ALA 97 HN ALA 97 11.928 -10.475 4.000 760 HA ALA 97 HA ALA 97 12.798 -8.630 5.889 761 1HB ALA 97 HB2 ALA 97 13.991 -9.279 3.747 762 2HB ALA 97 HB1 ALA 97 12.946 -8.134 2.905 763 3HB ALA 97 HB3 ALA 97 14.067 -7.562 4.141 764 H ALA 98 HN ALA 98 10.540 -8.036 3.210 765 HA ALA 98 HA ALA 98 10.070 -5.286 3.711 766 1HB ALA 98 HB3 ALA 98 9.199 -6.946 1.817 767 2HB ALA 98 HB2 ALA 98 7.794 -7.043 2.878 768 3HB ALA 98 HB1 ALA 98 8.302 -5.486 2.227 769 H ALA 99 HN ALA 99 8.327 -8.153 4.953 770 HA ALA 99 HA ALA 99 6.405 -6.862 6.505 771 1HB ALA 99 HB1 ALA 99 6.569 -9.333 6.196 772 2HB ALA 99 HB3 ALA 99 7.944 -9.350 7.302 773 3HB ALA 99 HB2 ALA 99 6.349 -8.877 7.885 774 H GLN 100 HN GLN 100 9.749 -7.702 7.454 775 HA GLN 100 HA GLN 100 9.679 -6.774 10.110 776 1HB GLN 100 HB2 GLN 100 11.902 -6.696 8.055 777 2HB GLN 100 HB1 GLN 100 12.143 -6.249 9.744 778 1HG GLN 100 HG2 GLN 100 11.288 -8.489 10.424 779 2HG GLN 100 HG1 GLN 100 11.170 -8.932 8.720 780 1HE2 GLN 100 HE22 GLN 100 14.499 -10.075 8.854 781 2HE2 GLN 100 HE21 GLN 100 12.886 -10.404 8.442 782 H ALA 101 HN ALA 101 9.590 -4.985 7.136 783 HA ALA 101 HA ALA 101 10.265 -2.436 8.456 784 1HB ALA 101 HB2 ALA 101 10.984 -2.881 6.116 785 2HB ALA 101 HB1 ALA 101 9.292 -2.970 5.630 786 3HB ALA 101 HB3 ALA 101 9.959 -1.451 6.229 787 H GLY 102 HN GLY 102 7.827 -2.058 6.145 788 1HA GLY 102 HA2 GLY 102 5.706 -1.870 8.199 789 2HA GLY 102 HA1 GLY 102 5.969 -0.548 7.070 790 H ALA 103 HN ALA 103 6.715 -3.225 5.410 791 HA ALA 103 HA ALA 103 4.544 -3.205 3.601 792 1HB ALA 103 HB3 ALA 103 6.978 -4.640 3.952 793 2HB ALA 103 HB2 ALA 103 5.700 -5.805 3.621 794 3HB ALA 103 HB1 ALA 103 6.007 -4.485 2.491 795 H SER 104 HN SER 104 4.135 -3.851 6.640 796 HA SER 104 HA SER 104 3.138 -6.205 7.398 797 1HB SER 104 HB2 SER 104 1.890 -3.491 7.639 798 2HB SER 104 HB1 SER 104 0.999 -4.892 8.229 799 HG SER 104 HG SER 104 3.627 -4.083 8.953 800 H GLY 105 HN GLY 105 1.585 -4.301 4.830 801 1HA GLY 105 HA2 GLY 105 -0.385 -6.526 4.482 802 2HA GLY 105 HA1 GLY 105 -0.628 -4.881 3.913 803 OH TYR 106 OH TYR 106 1.915 -13.056 -2.347 804 H TYR 106 HN TYR 106 -0.195 -7.790 2.701 805 HA TYR 106 HA TYR 106 1.206 -6.737 0.314 806 1HB TYR 106 HB2 TYR 106 3.087 -7.903 0.811 807 2HB TYR 106 HB1 TYR 106 2.282 -8.815 2.086 808 HD1 TYR 106 HD1 TYR 106 2.174 -8.551 -1.702 809 HD2 TYR 106 HD2 TYR 106 2.051 -11.112 1.755 810 HE1 TYR 106 HE1 TYR 106 2.048 -10.549 -3.160 811 HE2 TYR 106 HE2 TYR 106 1.929 -13.092 0.289 812 HH TYR 106 HH TYR 106 2.674 -13.612 -2.157 813 H VAL 107 HN VAL 107 -0.312 -6.988 -1.197 814 HA VAL 107 HA VAL 107 -1.921 -9.515 -1.186 815 HB VAL 107 HB VAL 107 -3.259 -7.426 -0.885 816 1HG1 VAL 107 HG12 VAL 107 -1.460 -6.242 -2.483 817 2HG1 VAL 107 HG11 VAL 107 -2.648 -6.670 -3.713 818 3HG1 VAL 107 HG13 VAL 107 -3.114 -5.645 -2.357 819 1HG2 VAL 107 HG22 VAL 107 -3.601 -9.511 -2.805 820 2HG2 VAL 107 HG21 VAL 107 -4.855 -8.554 -2.023 821 3HG2 VAL 107 HG23 VAL 107 -4.160 -8.017 -3.550 822 H VAL 108 HN VAL 108 -1.721 -10.789 -2.986 823 HA VAL 108 HA VAL 108 0.272 -10.109 -4.941 824 HB VAL 108 HB VAL 108 -0.659 -12.102 -6.192 825 1HG1 VAL 108 HG11 VAL 108 1.079 -12.326 -4.419 826 2HG1 VAL 108 HG13 VAL 108 -0.203 -12.564 -3.231 827 3HG1 VAL 108 HG12 VAL 108 0.033 -13.742 -4.522 828 1HG2 VAL 108 HG21 VAL 108 -2.915 -11.519 -4.546 829 2HG2 VAL 108 HG23 VAL 108 -2.756 -12.792 -5.757 830 3HG2 VAL 108 HG22 VAL 108 -2.315 -13.111 -4.080 831 H LYS 109 HN LYS 109 -0.959 -10.594 -7.427 832 HA LYS 109 HA LYS 109 -3.400 -9.004 -7.622 833 1HB LYS 109 HB2 LYS 109 -2.383 -7.275 -9.137 834 2HB LYS 109 HB1 LYS 109 -1.831 -7.174 -7.473 835 1HG LYS 109 HG2 LYS 109 0.289 -7.567 -8.072 836 2HG LYS 109 HG1 LYS 109 -0.157 -8.973 -9.029 837 1HD LYS 109 HD2 LYS 109 -0.505 -6.110 -9.972 838 2HD LYS 109 HD1 LYS 109 0.916 -7.081 -10.338 839 1HE LYS 109 HE2 LYS 109 -0.277 -7.634 -12.203 840 2HE LYS 109 HE1 LYS 109 -1.048 -8.794 -11.129 841 1HZ LYS 109 HZ3 LYS 109 -2.095 -6.056 -11.255 842 2HZ LYS 109 HZ2 LYS 109 -2.465 -7.133 -12.515 843 3HZ LYS 109 HZ1 LYS 109 -2.909 -7.505 -10.917 844 HA PRO 110 HA PRO 110 -4.510 -7.954 -9.522 845 1HB PRO 110 HB2 PRO 110 -6.673 -9.336 -10.789 846 2HB PRO 110 HB1 PRO 110 -5.771 -7.946 -11.405 847 1HG PRO 110 HG2 PRO 110 -5.693 -10.610 -12.414 848 2HG PRO 110 HG1 PRO 110 -4.664 -9.258 -12.904 849 1HD PRO 110 HD2 PRO 110 -3.986 -11.570 -11.233 850 2HD PRO 110 HD1 PRO 110 -2.905 -10.379 -11.984 851 H PHE 111 HN PHE 111 -6.605 -7.844 -8.308 852 HA PHE 111 HA PHE 111 -7.264 -10.351 -6.811 853 1HB PHE 111 HB2 PHE 111 -7.714 -8.677 -4.853 854 2HB PHE 111 HB1 PHE 111 -6.063 -9.199 -5.157 855 HD1 PHE 111 HD2 PHE 111 -8.524 -6.438 -5.773 856 HD2 PHE 111 HD1 PHE 111 -4.418 -7.676 -5.834 857 HE1 PHE 111 HE2 PHE 111 -7.805 -4.111 -6.251 858 HE2 PHE 111 HE1 PHE 111 -3.708 -5.361 -6.309 859 HZ PHE 111 HZ PHE 111 -5.404 -3.572 -6.520 860 H THR 112 HN THR 112 -9.394 -10.354 -5.939 861 HA THR 112 HA THR 112 -11.282 -8.654 -7.494 862 HB THR 112 HB THR 112 -12.354 -10.699 -5.645 863 HG1 THR 112 HG1 THR 112 -10.253 -11.366 -6.957 864 1HG2 THR 112 HG23 THR 112 -13.712 -9.448 -7.299 865 2HG2 THR 112 HG22 THR 112 -12.755 -10.158 -8.599 866 3HG2 THR 112 HG21 THR 112 -13.767 -11.187 -7.585 867 H ALA 113 HN ALA 113 -12.684 -7.242 -6.341 868 HA ALA 113 HA ALA 113 -11.774 -5.954 -4.084 869 1HB ALA 113 HB3 ALA 113 -14.663 -6.480 -4.853 870 2HB ALA 113 HB2 ALA 113 -14.170 -5.313 -3.626 871 3HB ALA 113 HB1 ALA 113 -13.688 -5.082 -5.306 872 H ALA 114 HN ALA 114 -13.571 -8.987 -4.188 873 HA ALA 114 HA ALA 114 -14.044 -9.158 -1.358 874 1HB ALA 114 HB3 ALA 114 -15.097 -10.630 -3.152 875 2HB ALA 114 HB2 ALA 114 -13.557 -11.487 -3.239 876 3HB ALA 114 HB1 ALA 114 -14.489 -11.498 -1.743 877 H THR 115 HN THR 115 -11.381 -10.222 -3.458 878 HA THR 115 HA THR 115 -9.819 -11.406 -1.354 879 HB THR 115 HB THR 115 -9.151 -10.319 -4.091 880 HG1 THR 115 HG1 THR 115 -9.357 -12.835 -2.847 881 1HG2 THR 115 HG21 THR 115 -7.293 -11.313 -1.930 882 2HG2 THR 115 HG23 THR 115 -6.871 -11.437 -3.638 883 3HG2 THR 115 HG22 THR 115 -7.145 -9.854 -2.910 884 H LEU 116 HN LEU 116 -9.071 -8.323 -3.113 885 HA LEU 116 HA LEU 116 -7.351 -7.255 -1.198 886 1HB LEU 116 HB2 LEU 116 -8.759 -6.397 -3.472 887 2HB LEU 116 HB1 LEU 116 -9.192 -5.249 -2.218 888 HG LEU 116 HG LEU 116 -7.191 -4.622 -3.642 889 1HD1 LEU 116 HD13 LEU 116 -7.661 -3.659 -1.447 890 2HD1 LEU 116 HD12 LEU 116 -6.672 -4.921 -0.709 891 3HD1 LEU 116 HD11 LEU 116 -5.940 -3.747 -1.808 892 1HD2 LEU 116 HD22 LEU 116 -6.296 -7.160 -3.243 893 2HD2 LEU 116 HD21 LEU 116 -5.251 -5.801 -3.653 894 3HD2 LEU 116 HD23 LEU 116 -5.420 -6.297 -1.979 895 H GLU 117 HN GLU 117 -10.895 -7.435 -1.006 896 HA GLU 117 HA GLU 117 -11.135 -5.623 1.197 897 1HB GLU 117 HB2 GLU 117 -13.132 -6.137 -0.017 898 2HB GLU 117 HB1 GLU 117 -12.899 -7.869 0.218 899 1HG GLU 117 HG2 GLU 117 -14.646 -6.815 1.715 900 2HG GLU 117 HG1 GLU 117 -13.383 -7.694 2.572 901 H GLU 118 HN GLU 118 -11.418 -9.173 1.203 902 HA GLU 118 HA GLU 118 -11.407 -9.705 3.900 903 1HB GLU 118 HB2 GLU 118 -11.141 -11.257 1.702 904 2HB GLU 118 HB1 GLU 118 -9.500 -11.369 2.343 905 1HG GLU 118 HG2 GLU 118 -10.541 -11.919 4.597 906 2HG GLU 118 HG1 GLU 118 -12.081 -12.076 3.753 907 H LYS 119 HN LYS 119 -8.357 -9.529 2.004 908 HA LYS 119 HA LYS 119 -6.567 -9.640 4.151 909 1HB LYS 119 HB2 LYS 119 -6.457 -8.226 1.496 910 2HB LYS 119 HB1 LYS 119 -5.135 -8.054 2.651 911 1HG LYS 119 HG2 LYS 119 -6.143 -10.809 2.083 912 2HG LYS 119 HG1 LYS 119 -5.149 -10.025 0.855 913 1HD LYS 119 HD2 LYS 119 -4.255 -9.991 3.724 914 2HD LYS 119 HD1 LYS 119 -3.992 -11.436 2.747 915 1HE LYS 119 HE2 LYS 119 -2.451 -10.408 1.391 916 2HE LYS 119 HE1 LYS 119 -3.240 -8.835 1.509 917 1HZ LYS 119 HZ2 LYS 119 -1.669 -10.134 3.669 918 2HZ LYS 119 HZ1 LYS 119 -1.113 -8.877 2.672 919 3HZ LYS 119 HZ3 LYS 119 -2.395 -8.600 3.747 920 H LEU 120 HN LEU 120 -8.308 -6.802 2.903 921 HA LEU 120 HA LEU 120 -7.037 -4.901 4.628 922 1HB LEU 120 HB2 LEU 120 -8.604 -4.591 2.515 923 2HB LEU 120 HB1 LEU 120 -9.888 -4.590 3.716 924 HG LEU 120 HG LEU 120 -9.190 -2.296 3.239 925 1HD1 LEU 120 HD11 LEU 120 -9.735 -3.145 5.633 926 2HD1 LEU 120 HD13 LEU 120 -8.011 -2.921 5.931 927 3HD1 LEU 120 HD12 LEU 120 -9.008 -1.549 5.449 928 1HD2 LEU 120 HD23 LEU 120 -6.699 -3.274 2.834 929 2HD2 LEU 120 HD22 LEU 120 -7.021 -1.573 3.170 930 3HD2 LEU 120 HD21 LEU 120 -6.516 -2.650 4.471 931 H ASN 121 HN ASN 121 -10.173 -6.592 4.927 932 HA ASN 121 HA ASN 121 -10.686 -5.533 7.567 933 1HB ASN 121 HB2 ASN 121 -11.984 -7.330 5.682 934 2HB ASN 121 HB1 ASN 121 -12.105 -7.933 7.335 935 1HD2 ASN 121 HD22 ASN 121 -14.202 -5.267 8.438 936 2HD2 ASN 121 HD21 ASN 121 -13.176 -6.522 8.942 937 H LYS 122 HN LYS 122 -8.709 -8.098 6.388 938 HA LYS 122 HA LYS 122 -8.734 -9.607 8.897 939 1HB LYS 122 HB2 LYS 122 -8.225 -10.463 6.462 940 2HB LYS 122 HB1 LYS 122 -6.588 -9.910 6.821 941 1HG LYS 122 HG2 LYS 122 -7.068 -11.244 9.098 942 2HG LYS 122 HG1 LYS 122 -8.144 -12.147 8.032 943 1HD LYS 122 HD2 LYS 122 -6.268 -12.536 6.470 944 2HD LYS 122 HD1 LYS 122 -5.191 -11.647 7.550 945 1HE LYS 122 HE2 LYS 122 -5.637 -13.281 9.345 946 2HE LYS 122 HE1 LYS 122 -6.713 -14.172 8.268 947 1HZ LYS 122 HZ1 LYS 122 -4.714 -14.280 6.722 948 2HZ LYS 122 HZ3 LYS 122 -3.785 -13.821 8.065 949 3HZ LYS 122 HZ2 LYS 122 -4.680 -15.265 8.106 950 H ILE 123 HN ILE 123 -6.687 -7.170 7.356 951 HA ILE 123 HA ILE 123 -4.594 -7.407 9.390 952 HB ILE 123 HB ILE 123 -5.168 -5.494 7.138 953 1HG1 ILE 123 HG12 ILE 123 -2.739 -7.187 7.828 954 2HG1 ILE 123 HG11 ILE 123 -4.037 -7.719 6.763 955 1HG2 ILE 123 HG21 ILE 123 -3.312 -5.139 9.487 956 2HG2 ILE 123 HG23 ILE 123 -2.872 -4.473 7.916 957 3HG2 ILE 123 HG22 ILE 123 -4.354 -3.948 8.710 958 1HD1 ILE 123 HD13 ILE 123 -3.373 -5.242 5.715 959 2HD1 ILE 123 HD12 ILE 123 -1.813 -5.883 6.223 960 3HD1 ILE 123 HD11 ILE 123 -2.814 -6.795 5.095 961 H PHE 124 HN PHE 124 -7.369 -5.302 8.773 962 HA PHE 124 HA PHE 124 -6.737 -3.499 10.951 963 1HB PHE 124 HB2 PHE 124 -9.069 -3.912 9.117 964 2HB PHE 124 HB1 PHE 124 -9.267 -2.910 10.555 965 HD1 PHE 124 HD2 PHE 124 -6.575 -3.448 7.987 966 HD2 PHE 124 HD1 PHE 124 -8.976 -0.631 10.161 967 HE1 PHE 124 HE2 PHE 124 -5.416 -1.585 6.850 968 HE2 PHE 124 HE1 PHE 124 -7.827 1.239 9.006 969 HZ PHE 124 HZ PHE 124 -6.057 0.757 7.345 970 H GLU 125 HN GLU 125 -8.618 -6.461 10.643 971 HA GLU 125 HA GLU 125 -10.212 -6.310 12.949 972 1HB GLU 125 HB2 GLU 125 -10.301 -8.243 11.432 973 2HB GLU 125 HB1 GLU 125 -8.665 -8.707 11.902 974 1HG GLU 125 HG2 GLU 125 -9.369 -9.661 13.833 975 2HG GLU 125 HG1 GLU 125 -10.477 -8.335 14.185 976 H LYS 126 HN LYS 126 -6.777 -6.523 12.626 977 HA LYS 126 HA LYS 126 -6.419 -7.115 15.510 978 1HB LYS 126 HB2 LYS 126 -4.154 -6.468 13.643 979 2HB LYS 126 HB1 LYS 126 -4.181 -7.570 15.020 980 1HG LYS 126 HG2 LYS 126 -5.534 -8.016 12.340 981 2HG LYS 126 HG1 LYS 126 -4.111 -8.862 12.948 982 1HD LYS 126 HD2 LYS 126 -5.509 -9.650 14.897 983 2HD LYS 126 HD1 LYS 126 -6.919 -8.974 14.079 984 1HE LYS 126 HE2 LYS 126 -7.093 -10.923 12.963 985 2HE LYS 126 HE1 LYS 126 -5.614 -10.480 12.111 986 1HZ LYS 126 HZ3 LYS 126 -5.297 -11.610 14.774 987 2HZ LYS 126 HZ2 LYS 126 -5.832 -12.676 13.562 988 3HZ LYS 126 HZ1 LYS 126 -4.362 -11.842 13.378 989 H LEU 127 HN LEU 127 -6.442 -4.510 13.229 990 HA LEU 127 HA LEU 127 -5.025 -2.641 14.994 991 1HB LEU 127 HB2 LEU 127 -5.120 -2.596 12.383 992 2HB LEU 127 HB1 LEU 127 -6.697 -1.841 12.611 993 HG LEU 127 HG LEU 127 -5.376 -0.285 14.284 994 1HD1 LEU 127 HD12 LEU 127 -3.289 -1.860 13.638 995 2HD1 LEU 127 HD11 LEU 127 -3.136 -0.660 12.355 996 3HD1 LEU 127 HD13 LEU 127 -3.092 -0.155 14.043 997 1HD2 LEU 127 HD21 LEU 127 -5.561 -0.212 11.293 998 2HD2 LEU 127 HD23 LEU 127 -6.354 0.814 12.486 999 3HD2 LEU 127 HD22 LEU 127 -4.648 1.055 12.112 1000 H GLY 128 HN GLY 128 -8.239 -3.802 14.563 1001 1HA GLY 128 HA2 GLY 128 -10.309 -3.064 15.413 1002 2HA GLY 128 HA1 GLY 128 -9.346 -2.688 16.841 1003 H MET 129 HN MET 129 -10.316 -1.334 13.690 1004 HA MET 129 HA MET 129 -9.910 1.405 14.815 1005 1HB MET 129 HB2 MET 129 -9.290 0.252 12.300 1006 2HB MET 129 HB1 MET 129 -10.601 1.398 12.020 1007 1HG MET 129 HG2 MET 129 -8.054 2.032 13.539 1008 2HG MET 129 HG1 MET 129 -8.350 2.460 11.855 1009 1HE MET 129 HE3 MET 129 -7.378 4.335 13.097 1010 2HE MET 129 HE2 MET 129 -8.417 5.737 12.852 1011 3HE MET 129 HE1 MET 129 -8.104 5.155 14.486 Start of MODEL 10 Raw file had 1011 H/Q atoms Start of MODEL 10 1 H ALA 2 HN ALA 2 -15.243 0.326 8.751 2 HA ALA 2 HA ALA 2 -12.838 0.374 10.459 3 1HB ALA 2 HB2 ALA 2 -12.757 0.006 7.461 4 2HB ALA 2 HB1 ALA 2 -11.406 0.714 8.347 5 3HB ALA 2 HB3 ALA 2 -11.927 -0.935 8.701 6 H ASP 3 HN ASP 3 -13.346 1.983 7.326 7 HA ASP 3 HA ASP 3 -14.288 4.446 8.598 8 1HB ASP 3 HB2 ASP 3 -11.454 3.990 8.199 9 2HB ASP 3 HB1 ASP 3 -12.003 5.363 7.238 10 H LYS 4 HN LYS 4 -15.190 5.851 7.067 11 HA LYS 4 HA LYS 4 -15.455 4.733 4.347 12 1HB LYS 4 HB2 LYS 4 -16.770 7.173 5.574 13 2HB LYS 4 HB1 LYS 4 -17.209 6.421 4.045 14 1HG LYS 4 HG2 LYS 4 -17.220 4.774 6.563 15 2HG LYS 4 HG1 LYS 4 -18.579 5.837 6.211 16 1HD LYS 4 HD2 LYS 4 -19.311 4.549 4.478 17 2HD LYS 4 HD1 LYS 4 -17.677 4.155 3.946 18 1HE LYS 4 HE2 LYS 4 -19.014 2.210 4.898 19 2HE LYS 4 HE1 LYS 4 -17.431 2.475 5.629 20 1HZ LYS 4 HZ1 LYS 4 -19.637 3.924 6.834 21 2HZ LYS 4 HZ3 LYS 4 -19.680 2.239 7.030 22 3HZ LYS 4 HZ2 LYS 4 -18.330 3.121 7.566 23 H GLU 5 HN GLU 5 -13.140 6.467 5.719 24 HA GLU 5 HA GLU 5 -12.419 7.814 3.212 25 1HB GLU 5 HB2 GLU 5 -12.251 10.047 4.200 26 2HB GLU 5 HB1 GLU 5 -13.908 9.462 4.340 27 1HG GLU 5 HG2 GLU 5 -12.686 8.516 6.653 28 2HG GLU 5 HG1 GLU 5 -11.998 10.128 6.446 29 H LEU 6 HN LEU 6 -10.987 5.783 4.193 30 HA LEU 6 HA LEU 6 -8.971 6.782 6.050 31 1HB LEU 6 HB2 LEU 6 -9.702 4.422 6.150 32 2HB LEU 6 HB1 LEU 6 -9.112 4.177 4.512 33 HG LEU 6 HG LEU 6 -6.825 4.731 5.242 34 1HD1 LEU 6 HD11 LEU 6 -8.282 5.347 7.775 35 2HD1 LEU 6 HD13 LEU 6 -6.672 4.641 7.912 36 3HD1 LEU 6 HD12 LEU 6 -6.895 6.164 7.053 37 1HD2 LEU 6 HD21 LEU 6 -8.411 2.504 6.368 38 2HD2 LEU 6 HD23 LEU 6 -6.933 2.465 5.411 39 3HD2 LEU 6 HD22 LEU 6 -6.854 2.787 7.144 40 H LYS 7 HN LYS 7 -7.264 7.981 5.310 41 HA LYS 7 HA LYS 7 -6.870 8.639 2.604 42 1HB LYS 7 HB2 LYS 7 -5.113 8.811 5.036 43 2HB LYS 7 HB1 LYS 7 -4.508 9.293 3.458 44 1HG LYS 7 HG2 LYS 7 -6.213 10.953 3.199 45 2HG LYS 7 HG1 LYS 7 -7.100 10.346 4.598 46 1HD LYS 7 HD2 LYS 7 -5.734 11.406 6.088 47 2HD LYS 7 HD1 LYS 7 -4.289 11.120 5.118 48 1HE LYS 7 HE2 LYS 7 -4.843 12.932 3.625 49 2HE LYS 7 HE1 LYS 7 -6.428 13.131 4.373 50 1HZ LYS 7 HZ2 LYS 7 -4.112 13.298 6.132 51 2HZ LYS 7 HZ1 LYS 7 -4.336 14.589 5.051 52 3HZ LYS 7 HZ3 LYS 7 -5.560 14.185 6.154 53 H PHE 8 HN PHE 8 -6.347 7.242 0.993 54 HA PHE 8 HA PHE 8 -4.316 5.119 1.532 55 1HB PHE 8 HB2 PHE 8 -6.440 5.418 -0.614 56 2HB PHE 8 HB1 PHE 8 -5.141 4.255 -0.739 57 HD1 PHE 8 HD2 PHE 8 -5.039 2.309 0.780 58 HD2 PHE 8 HD1 PHE 8 -8.240 5.152 0.959 59 HE1 PHE 8 HE2 PHE 8 -6.375 0.720 2.152 60 HE2 PHE 8 HE1 PHE 8 -9.559 3.574 2.332 61 HZ PHE 8 HZ PHE 8 -8.635 1.359 2.927 62 H LEU 9 HN LEU 9 -2.568 4.922 0.049 63 HA LEU 9 HA LEU 9 -2.193 7.264 -1.778 64 1HB LEU 9 HB2 LEU 9 -0.655 7.485 0.116 65 2HB LEU 9 HB1 LEU 9 -0.094 5.834 -0.116 66 HG LEU 9 HG LEU 9 0.809 6.413 -2.320 67 1HD1 LEU 9 HD11 LEU 9 -0.600 8.987 -1.734 68 2HD1 LEU 9 HD13 LEU 9 0.846 9.017 -2.740 69 3HD1 LEU 9 HD12 LEU 9 -0.555 8.065 -3.236 70 1HD2 LEU 9 HD22 LEU 9 1.568 8.194 -0.009 71 2HD2 LEU 9 HD21 LEU 9 2.377 6.731 -0.576 72 3HD2 LEU 9 HD23 LEU 9 2.459 8.211 -1.530 73 H VAL 10 HN VAL 10 -2.601 6.368 -3.749 74 HA VAL 10 HA VAL 10 -1.785 3.580 -4.277 75 HB VAL 10 HB VAL 10 -2.891 5.249 -6.464 76 1HG1 VAL 10 HG11 VAL 10 -2.585 2.769 -6.563 77 2HG1 VAL 10 HG13 VAL 10 -3.745 2.608 -5.243 78 3HG1 VAL 10 HG12 VAL 10 -4.263 3.265 -6.795 79 1HG2 VAL 10 HG23 VAL 10 -4.319 4.756 -3.845 80 2HG2 VAL 10 HG22 VAL 10 -4.187 6.262 -4.749 81 3HG2 VAL 10 HG21 VAL 10 -5.208 4.961 -5.354 82 H VAL 11 HN VAL 11 0.303 3.247 -4.890 83 HA VAL 11 HA VAL 11 1.550 5.199 -6.742 84 HB VAL 11 HB VAL 11 2.980 3.407 -4.769 85 1HG1 VAL 11 HG12 VAL 11 3.842 5.362 -6.862 86 2HG1 VAL 11 HG11 VAL 11 4.750 5.331 -5.351 87 3HG1 VAL 11 HG13 VAL 11 4.615 3.872 -6.329 88 1HG2 VAL 11 HG21 VAL 11 1.689 6.007 -4.453 89 2HG2 VAL 11 HG23 VAL 11 2.348 4.926 -3.225 90 3HG2 VAL 11 HG22 VAL 11 3.406 6.058 -4.060 91 H ASP 12 HN ASP 12 1.377 4.261 -8.736 92 HA ASP 12 HA ASP 12 2.686 1.661 -9.143 93 1HB ASP 12 HB2 ASP 12 0.540 0.973 -10.516 94 2HB ASP 12 HB1 ASP 12 0.601 0.682 -8.777 95 H ASP 13 HN ASP 13 3.818 1.829 -11.021 96 HA ASP 13 HA ASP 13 3.750 4.135 -12.672 97 1HB ASP 13 HB2 ASP 13 5.663 2.571 -12.605 98 2HB ASP 13 HB1 ASP 13 4.680 1.337 -13.393 99 H PHE 14 HN PHE 14 3.440 1.419 -14.707 100 HA PHE 14 HA PHE 14 1.894 1.029 -16.438 101 1HB PHE 14 HB2 PHE 14 0.740 0.521 -13.946 102 2HB PHE 14 HB1 PHE 14 -0.473 1.487 -14.779 103 HD1 PHE 14 HD2 PHE 14 -0.161 0.722 -17.590 104 HD2 PHE 14 HD1 PHE 14 0.048 -1.713 -14.054 105 HE1 PHE 14 HE2 PHE 14 -0.816 -1.265 -18.917 106 HE2 PHE 14 HE1 PHE 14 -0.606 -3.698 -15.386 107 HZ PHE 14 HZ PHE 14 -1.039 -3.475 -17.816 108 H SER 15 HN SER 15 -0.790 2.112 -16.649 109 HA SER 15 HA SER 15 -0.443 5.042 -16.679 110 1HB SER 15 HB2 SER 15 0.524 4.286 -18.838 111 2HB SER 15 HB1 SER 15 -0.986 3.458 -19.211 112 HG SER 15 HG SER 15 -0.851 5.573 -20.128 113 H THR 16 HN THR 16 -2.212 2.908 -15.460 114 HA THR 16 HA THR 16 -4.688 4.322 -15.579 115 HB THR 16 HB THR 16 -5.199 3.538 -17.715 116 HG1 THR 16 HG1 THR 16 -6.018 1.204 -16.429 117 1HG2 THR 16 HG22 THR 16 -3.474 1.232 -16.908 118 2HG2 THR 16 HG21 THR 16 -4.672 0.974 -18.177 119 3HG2 THR 16 HG23 THR 16 -3.427 2.206 -18.378 120 H MET 17 HN MET 17 -2.626 2.200 -14.210 121 HA MET 17 HA MET 17 -4.413 0.286 -13.007 122 1HB MET 17 HB2 MET 17 -2.090 -0.269 -12.993 123 2HB MET 17 HB1 MET 17 -1.649 1.281 -12.280 124 1HG MET 17 HG2 MET 17 -1.646 -0.712 -10.684 125 2HG MET 17 HG1 MET 17 -2.585 0.679 -10.160 126 1HE MET 17 HE2 MET 17 -2.513 -2.740 -9.795 127 2HE MET 17 HE1 MET 17 -3.878 -3.532 -10.576 128 3HE MET 17 HE3 MET 17 -2.542 -2.901 -11.548 129 NH1 ARG 18 NH2 ARG 18 -2.860 7.086 -14.231 130 NH2 ARG 18 NH1 ARG 18 -4.928 7.688 -13.542 131 H ARG 18 HN ARG 18 -3.085 3.407 -11.916 132 HA ARG 18 HA ARG 18 -4.027 3.561 -9.320 133 1HB ARG 18 HB2 ARG 18 -4.704 5.984 -10.821 134 2HB ARG 18 HB1 ARG 18 -3.572 5.767 -9.489 135 1HG ARG 18 HG2 ARG 18 -1.944 4.754 -11.098 136 2HG ARG 18 HG1 ARG 18 -3.063 5.128 -12.409 137 1HD ARG 18 HD2 ARG 18 -1.924 7.191 -10.503 138 2HD ARG 18 HD1 ARG 18 -1.277 6.861 -12.110 139 HE ARG 18 HE ARG 18 -3.511 8.532 -11.594 140 1HH1 ARG 18 HH21 ARG 18 -1.889 6.950 -14.038 141 2HH1 ARG 18 HH22 ARG 18 -3.219 6.899 -15.145 142 1HH2 ARG 18 HH11 ARG 18 -5.539 8.011 -12.820 143 2HH2 ARG 18 HH12 ARG 18 -5.287 7.500 -14.456 144 NH1 ARG 19 NH2 ARG 19 -10.372 6.531 -16.401 145 NH2 ARG 19 NH1 ARG 19 -8.526 5.604 -17.318 146 H ARG 19 HN ARG 19 -5.928 4.244 -12.268 147 HA ARG 19 HA ARG 19 -8.344 4.947 -10.994 148 1HB ARG 19 HB2 ARG 19 -8.169 5.268 -13.358 149 2HB ARG 19 HB1 ARG 19 -7.815 3.561 -13.629 150 1HG ARG 19 HG2 ARG 19 -10.016 2.911 -13.325 151 2HG ARG 19 HG1 ARG 19 -10.381 4.273 -12.266 152 1HD ARG 19 HD2 ARG 19 -11.384 4.328 -14.645 153 2HD ARG 19 HD1 ARG 19 -10.563 5.783 -14.080 154 HE ARG 19 HE ARG 19 -8.876 3.891 -15.576 155 1HH1 ARG 19 HH21 ARG 19 -11.088 6.526 -15.702 156 2HH1 ARG 19 HH22 ARG 19 -10.354 7.251 -17.094 157 1HH2 ARG 19 HH11 ARG 19 -7.827 4.888 -17.323 158 2HH2 ARG 19 HH12 ARG 19 -8.508 6.324 -18.012 159 H ILE 20 HN ILE 20 -7.315 1.710 -12.121 160 HA ILE 20 HA ILE 20 -9.540 0.222 -11.324 161 HB ILE 20 HB ILE 20 -6.617 -0.365 -11.547 162 1HG1 ILE 20 HG12 ILE 20 -9.028 -1.797 -12.686 163 2HG1 ILE 20 HG11 ILE 20 -8.317 -0.375 -13.450 164 1HG2 ILE 20 HG21 ILE 20 -8.643 -2.106 -10.133 165 2HG2 ILE 20 HG23 ILE 20 -7.245 -2.797 -10.952 166 3HG2 ILE 20 HG22 ILE 20 -7.011 -1.679 -9.611 167 1HD1 ILE 20 HD12 ILE 20 -6.127 -1.554 -13.544 168 2HD1 ILE 20 HD11 ILE 20 -6.893 -2.988 -12.859 169 3HD1 ILE 20 HD13 ILE 20 -7.379 -2.402 -14.450 170 H VAL 21 HN VAL 21 -6.623 0.740 -9.312 171 HA VAL 21 HA VAL 21 -7.767 -0.375 -6.955 172 HB VAL 21 HB VAL 21 -5.886 1.598 -6.167 173 1HG1 VAL 21 HG13 VAL 21 -5.583 -1.363 -6.761 174 2HG1 VAL 21 HG12 VAL 21 -4.487 -0.404 -5.767 175 3HG1 VAL 21 HG11 VAL 21 -6.148 -0.675 -5.239 176 1HG2 VAL 21 HG22 VAL 21 -5.378 1.826 -8.594 177 2HG2 VAL 21 HG21 VAL 21 -4.025 1.131 -7.702 178 3HG2 VAL 21 HG23 VAL 21 -5.067 0.094 -8.673 179 NH1 ARG 22 NH1 ARG 22 -8.228 10.589 -8.229 180 NH2 ARG 22 NH2 ARG 22 -6.712 9.773 -9.693 181 H ARG 22 HN ARG 22 -7.718 2.993 -8.134 182 HA ARG 22 HA ARG 22 -8.757 4.286 -5.847 183 1HB ARG 22 HB2 ARG 22 -8.546 4.843 -8.679 184 2HB ARG 22 HB1 ARG 22 -10.107 5.386 -8.082 185 1HG ARG 22 HG2 ARG 22 -8.880 6.562 -6.203 186 2HG ARG 22 HG1 ARG 22 -7.374 6.183 -7.046 187 1HD ARG 22 HD2 ARG 22 -8.764 7.234 -9.100 188 2HD ARG 22 HD1 ARG 22 -9.526 8.108 -7.772 189 HE ARG 22 HE ARG 22 -6.680 8.216 -7.464 190 1HH1 ARG 22 HH11 ARG 22 -8.808 10.465 -7.423 191 2HH1 ARG 22 HH12 ARG 22 -8.233 11.460 -8.720 192 1HH2 ARG 22 HH21 ARG 22 -6.130 9.024 -10.010 193 2HH2 ARG 22 HH22 ARG 22 -6.718 10.643 -10.184 194 H ASN 23 HN ASN 23 -10.611 2.990 -8.609 195 HA ASN 23 HA ASN 23 -13.199 3.288 -7.528 196 1HB ASN 23 HB2 ASN 23 -12.005 2.278 -9.808 197 2HB ASN 23 HB1 ASN 23 -12.725 0.868 -9.082 198 1HD2 ASN 23 HD22 ASN 23 -15.241 2.776 -11.237 199 2HD2 ASN 23 HD21 ASN 23 -13.641 2.302 -11.547 200 H LEU 24 HN LEU 24 -11.086 0.473 -7.639 201 HA LEU 24 HA LEU 24 -12.452 -1.454 -6.266 202 1HB LEU 24 HB2 LEU 24 -10.032 -1.451 -7.123 203 2HB LEU 24 HB1 LEU 24 -9.603 -0.748 -5.576 204 HG LEU 24 HG LEU 24 -11.290 -3.086 -5.184 205 1HD1 LEU 24 HD13 LEU 24 -8.813 -3.433 -6.889 206 2HD1 LEU 24 HD12 LEU 24 -9.618 -4.756 -6.048 207 3HD1 LEU 24 HD11 LEU 24 -10.467 -3.870 -7.314 208 1HD2 LEU 24 HD21 LEU 24 -8.587 -2.141 -4.284 209 2HD2 LEU 24 HD23 LEU 24 -9.967 -2.681 -3.333 210 3HD2 LEU 24 HD22 LEU 24 -8.943 -3.858 -4.150 211 H LEU 25 HN LEU 25 -10.459 1.034 -4.603 212 HA LEU 25 HA LEU 25 -11.320 0.318 -1.971 213 1HB LEU 25 HB2 LEU 25 -10.261 2.910 -3.130 214 2HB LEU 25 HB1 LEU 25 -10.651 2.739 -1.428 215 HG LEU 25 HG LEU 25 -8.707 0.959 -2.926 216 1HD1 LEU 25 HD13 LEU 25 -8.393 3.502 -1.383 217 2HD1 LEU 25 HD12 LEU 25 -7.144 2.270 -1.218 218 3HD1 LEU 25 HD11 LEU 25 -7.516 2.939 -2.805 219 1HD2 LEU 25 HD22 LEU 25 -9.881 0.941 -0.207 220 2HD2 LEU 25 HD21 LEU 25 -9.141 -0.372 -1.121 221 3HD2 LEU 25 HD23 LEU 25 -8.127 0.777 -0.251 222 H LYS 26 HN LYS 26 -12.438 2.956 -4.115 223 HA LYS 26 HA LYS 26 -14.502 3.904 -2.491 224 1HB LYS 26 HB2 LYS 26 -14.332 3.694 -5.507 225 2HB LYS 26 HB1 LYS 26 -15.625 4.556 -4.673 226 1HG LYS 26 HG2 LYS 26 -14.148 6.166 -3.787 227 2HG LYS 26 HG1 LYS 26 -12.734 5.150 -4.064 228 1HD LYS 26 HD2 LYS 26 -12.808 6.953 -5.727 229 2HD LYS 26 HD1 LYS 26 -13.059 5.394 -6.513 230 1HE LYS 26 HE2 LYS 26 -15.409 7.026 -5.569 231 2HE LYS 26 HE1 LYS 26 -14.656 7.353 -7.130 232 1HZ LYS 26 HZ1 LYS 26 -14.929 4.637 -7.058 233 2HZ LYS 26 HZ3 LYS 26 -16.368 5.203 -6.360 234 3HZ LYS 26 HZ2 LYS 26 -15.918 5.722 -7.913 235 H GLU 27 HN GLU 27 -14.341 0.959 -4.392 236 HA GLU 27 HA GLU 27 -17.073 0.331 -4.580 237 1HB GLU 27 HB2 GLU 27 -14.934 -0.957 -5.417 238 2HB GLU 27 HB1 GLU 27 -15.082 -1.801 -3.874 239 1HG GLU 27 HG2 GLU 27 -16.451 -3.156 -5.133 240 2HG GLU 27 HG1 GLU 27 -17.645 -1.946 -4.661 241 H LEU 28 HN LEU 28 -14.858 0.155 -1.861 242 HA LEU 28 HA LEU 28 -16.779 -1.253 -0.158 243 1HB LEU 28 HB2 LEU 28 -13.996 -0.270 0.072 244 2HB LEU 28 HB1 LEU 28 -14.923 -0.244 1.570 245 HG LEU 28 HG LEU 28 -13.675 -2.397 1.175 246 1HD1 LEU 28 HD12 LEU 28 -16.366 -2.006 2.016 247 2HD1 LEU 28 HD11 LEU 28 -16.323 -3.503 1.086 248 3HD1 LEU 28 HD13 LEU 28 -15.264 -3.301 2.481 249 1HD2 LEU 28 HD22 LEU 28 -14.466 -2.148 -1.401 250 2HD2 LEU 28 HD21 LEU 28 -14.024 -3.694 -0.680 251 3HD2 LEU 28 HD23 LEU 28 -15.722 -3.236 -0.809 252 H GLY 29 HN GLY 29 -15.167 1.891 0.329 253 1HA GLY 29 HA2 GLY 29 -17.478 3.473 0.433 254 2HA GLY 29 HA1 GLY 29 -17.195 2.867 2.057 255 H PHE 30 HN PHE 30 -14.360 3.368 0.133 256 HA PHE 30 HA PHE 30 -13.644 5.668 1.873 257 1HB PHE 30 HB2 PHE 30 -11.873 4.232 -0.116 258 2HB PHE 30 HB1 PHE 30 -11.370 5.232 1.236 259 HD1 PHE 30 HD2 PHE 30 -11.928 4.414 3.627 260 HD2 PHE 30 HD1 PHE 30 -12.221 1.929 0.141 261 HE1 PHE 30 HE2 PHE 30 -11.855 2.384 5.059 262 HE2 PHE 30 HE1 PHE 30 -12.158 -0.094 1.570 263 HZ PHE 30 HZ PHE 30 -11.979 0.135 4.032 264 H ASN 31 HN ASN 31 -12.810 7.659 0.870 265 HA ASN 31 HA ASN 31 -13.232 7.943 -2.036 266 1HB ASN 31 HB2 ASN 31 -14.509 10.162 -1.196 267 2HB ASN 31 HB1 ASN 31 -15.342 8.650 -1.530 268 1HD2 ASN 31 HD22 ASN 31 -16.621 8.884 1.761 269 2HD2 ASN 31 HD21 ASN 31 -16.984 8.902 0.104 270 H ASN 32 HN ASN 32 -10.967 8.236 0.106 271 HA ASN 32 HA ASN 32 -10.037 10.887 -0.878 272 1HB ASN 32 HB2 ASN 32 -9.112 11.248 1.416 273 2HB ASN 32 HB1 ASN 32 -10.864 11.285 1.348 274 1HD2 ASN 32 HD22 ASN 32 -10.096 7.565 2.513 275 2HD2 ASN 32 HD21 ASN 32 -10.041 8.093 0.903 276 H VAL 33 HN VAL 33 -8.301 10.267 -2.134 277 HA VAL 33 HA VAL 33 -6.088 8.866 -0.759 278 HB VAL 33 HB VAL 33 -5.922 7.050 -2.169 279 1HG1 VAL 33 HG13 VAL 33 -8.141 6.936 -1.060 280 2HG1 VAL 33 HG12 VAL 33 -8.864 7.697 -2.476 281 3HG1 VAL 33 HG11 VAL 33 -8.125 6.102 -2.612 282 1HG2 VAL 33 HG21 VAL 33 -7.224 8.816 -4.250 283 2HG2 VAL 33 HG23 VAL 33 -5.613 8.089 -4.277 284 3HG2 VAL 33 HG22 VAL 33 -7.040 7.082 -4.494 285 H GLU 34 HN GLU 34 -4.162 8.753 -2.470 286 HA GLU 34 HA GLU 34 -4.196 11.161 -4.226 287 1HB GLU 34 HB2 GLU 34 -2.240 10.560 -2.011 288 2HB GLU 34 HB1 GLU 34 -1.794 11.578 -3.372 289 1HG GLU 34 HG2 GLU 34 -4.343 12.465 -2.385 290 2HG GLU 34 HG1 GLU 34 -3.238 12.325 -1.024 291 H GLU 35 HN GLU 35 -1.568 10.948 -5.121 292 HA GLU 35 HA GLU 35 -1.197 8.120 -5.887 293 1HB GLU 35 HB2 GLU 35 -1.897 10.316 -7.842 294 2HB GLU 35 HB1 GLU 35 -1.123 8.812 -8.340 295 1HG GLU 35 HG2 GLU 35 -3.018 7.562 -7.238 296 2HG GLU 35 HG1 GLU 35 -3.820 9.113 -6.989 297 H ALA 36 HN ALA 36 0.829 7.697 -6.874 298 HA ALA 36 HA ALA 36 2.791 9.936 -6.913 299 1HB ALA 36 HB2 ALA 36 2.652 8.115 -4.813 300 2HB ALA 36 HB1 ALA 36 3.928 7.472 -5.848 301 3HB ALA 36 HB3 ALA 36 4.042 9.116 -5.224 302 H GLU 37 HN GLU 37 5.026 8.352 -7.501 303 HA GLU 37 HA GLU 37 4.193 6.822 -9.931 304 1HB GLU 37 HB2 GLU 37 6.641 8.249 -10.431 305 2HB GLU 37 HB1 GLU 37 5.120 8.322 -11.321 306 1HG GLU 37 HG2 GLU 37 4.242 9.937 -9.651 307 2HG GLU 37 HG1 GLU 37 5.799 9.900 -8.821 308 H ASP 38 HN ASP 38 5.988 6.841 -7.095 309 HA ASP 38 HA ASP 38 7.176 4.303 -7.598 310 1HB ASP 38 HB2 ASP 38 9.617 5.142 -7.571 311 2HB ASP 38 HB1 ASP 38 8.749 5.267 -9.097 312 H GLY 39 HN GLY 39 9.275 4.185 -5.926 313 1HA GLY 39 HA2 GLY 39 8.064 4.687 -3.338 314 2HA GLY 39 HA1 GLY 39 9.670 4.022 -3.606 315 H VAL 40 HN VAL 40 10.399 6.363 -5.363 316 HA VAL 40 HA VAL 40 11.425 8.055 -3.243 317 HB VAL 40 HB VAL 40 11.340 8.807 -6.165 318 1HG1 VAL 40 HG11 VAL 40 12.188 10.425 -4.444 319 2HG1 VAL 40 HG13 VAL 40 13.424 9.245 -4.006 320 3HG1 VAL 40 HG12 VAL 40 13.413 9.952 -5.622 321 1HG2 VAL 40 HG22 VAL 40 12.811 6.603 -4.800 322 2HG2 VAL 40 HG21 VAL 40 12.285 6.731 -6.479 323 3HG2 VAL 40 HG23 VAL 40 13.732 7.585 -5.941 324 H ASP 41 HN ASP 41 8.866 8.365 -5.679 325 HA ASP 41 HA ASP 41 8.111 11.049 -4.944 326 1HB ASP 41 HB2 ASP 41 7.517 9.659 -7.068 327 2HB ASP 41 HB1 ASP 41 6.215 9.006 -6.083 328 H ALA 42 HN ALA 42 6.933 7.814 -4.060 329 HA ALA 42 HA ALA 42 4.887 8.773 -2.266 330 1HB ALA 42 HB3 ALA 42 5.599 6.299 -3.287 331 2HB ALA 42 HB2 ALA 42 6.046 6.168 -1.590 332 3HB ALA 42 HB1 ALA 42 4.394 6.573 -2.031 333 H LEU 43 HN LEU 43 8.286 7.858 -1.868 334 HA LEU 43 HA LEU 43 8.476 7.798 0.928 335 1HB LEU 43 HB2 LEU 43 10.418 7.266 -0.398 336 2HB LEU 43 HB1 LEU 43 10.419 8.863 -1.142 337 HG LEU 43 HG LEU 43 11.059 9.912 0.934 338 1HD1 LEU 43 HD13 LEU 43 10.425 7.199 2.092 339 2HD1 LEU 43 HD12 LEU 43 11.495 8.317 2.936 340 3HD1 LEU 43 HD11 LEU 43 9.828 8.778 2.600 341 1HD2 LEU 43 HD23 LEU 43 12.612 7.350 0.459 342 2HD2 LEU 43 HD22 LEU 43 12.909 8.916 -0.298 343 3HD2 LEU 43 HD21 LEU 43 13.194 8.703 1.430 344 H ASN 44 HN ASN 44 9.022 10.668 -1.141 345 HA ASN 44 HA ASN 44 9.072 12.508 1.061 346 1HB ASN 44 HB2 ASN 44 8.580 12.867 -1.901 347 2HB ASN 44 HB1 ASN 44 8.651 14.222 -0.775 348 1HD2 ASN 44 HD22 ASN 44 12.088 12.328 -1.883 349 2HD2 ASN 44 HD21 ASN 44 10.576 11.748 -2.394 350 H LYS 45 HN LYS 45 6.488 11.440 -1.110 351 HA LYS 45 HA LYS 45 4.510 13.276 -0.093 352 1HB LYS 45 HB2 LYS 45 4.534 11.849 -2.295 353 2HB LYS 45 HB1 LYS 45 3.789 10.611 -1.283 354 1HG LYS 45 HG2 LYS 45 1.861 11.685 -1.913 355 2HG LYS 45 HG1 LYS 45 2.283 12.727 -0.558 356 1HD LYS 45 HD2 LYS 45 1.853 14.205 -2.380 357 2HD LYS 45 HD1 LYS 45 3.608 14.141 -2.224 358 1HE LYS 45 HE2 LYS 45 3.723 13.509 -4.382 359 2HE LYS 45 HE1 LYS 45 2.901 12.011 -3.951 360 1HZ LYS 45 HZ3 LYS 45 1.316 14.450 -4.337 361 2HZ LYS 45 HZ2 LYS 45 1.878 13.611 -5.703 362 3HZ LYS 45 HZ1 LYS 45 0.875 12.831 -4.576 363 H LEU 46 HN LEU 46 5.731 10.225 1.067 364 HA LEU 46 HA LEU 46 3.446 9.435 2.605 365 1HB LEU 46 HB2 LEU 46 6.164 8.546 2.265 366 2HB LEU 46 HB1 LEU 46 5.798 8.630 3.983 367 HG LEU 46 HG LEU 46 5.240 6.409 3.013 368 1HD1 LEU 46 HD12 LEU 46 3.577 8.093 4.594 369 2HD1 LEU 46 HD11 LEU 46 2.529 7.136 3.547 370 3HD1 LEU 46 HD13 LEU 46 3.679 6.333 4.617 371 1HD2 LEU 46 HD22 LEU 46 4.154 7.973 0.906 372 2HD2 LEU 46 HD21 LEU 46 4.156 6.217 1.048 373 3HD2 LEU 46 HD23 LEU 46 2.799 7.151 1.677 374 H GLN 47 HN GLN 47 5.337 12.154 2.862 375 HA GLN 47 HA GLN 47 4.934 12.382 5.815 376 1HB GLN 47 HB2 GLN 47 7.234 12.788 4.690 377 2HB GLN 47 HB1 GLN 47 6.525 14.295 4.109 378 1HG GLN 47 HG2 GLN 47 5.982 14.942 6.426 379 2HG GLN 47 HG1 GLN 47 6.685 13.434 7.013 380 1HE2 GLN 47 HE22 GLN 47 9.179 16.386 6.890 381 2HE2 GLN 47 HE21 GLN 47 7.540 16.391 7.336 382 H ALA 48 HN ALA 48 3.558 13.269 2.875 383 HA ALA 48 HA ALA 48 2.777 15.913 3.072 384 1HB ALA 48 HB1 ALA 48 2.038 13.892 1.457 385 2HB ALA 48 HB3 ALA 48 0.588 13.995 2.455 386 3HB ALA 48 HB2 ALA 48 1.138 15.404 1.548 387 H GLY 49 HN GLY 49 0.715 13.260 4.338 388 1HA GLY 49 HA2 GLY 49 0.157 14.943 6.731 389 2HA GLY 49 HA1 GLY 49 -1.210 14.411 5.751 390 H GLY 50 HN GLY 50 1.177 12.076 5.594 391 1HA GLY 50 HA2 GLY 50 1.574 10.093 6.839 392 2HA GLY 50 HA1 GLY 50 0.497 10.701 8.098 393 OH TYR 51 OH TYR 51 -1.002 11.861 -0.541 394 H TYR 51 HN TYR 51 0.494 9.357 4.820 395 HA TYR 51 HA TYR 51 -2.263 8.989 4.487 396 1HB TYR 51 HB2 TYR 51 0.129 7.430 3.529 397 2HB TYR 51 HB1 TYR 51 -1.511 6.954 3.096 398 HD1 TYR 51 HD2 TYR 51 -2.991 8.524 1.856 399 HD2 TYR 51 HD1 TYR 51 1.139 9.375 2.609 400 HE1 TYR 51 HE2 TYR 51 -3.052 10.313 0.144 401 HE2 TYR 51 HE1 TYR 51 1.091 11.164 0.893 402 HH TYR 51 HH TYR 51 -1.430 12.627 -0.153 403 H GLY 52 HN GLY 52 -3.614 8.025 5.880 404 1HA GLY 52 HA2 GLY 52 -2.897 6.234 7.946 405 2HA GLY 52 HA1 GLY 52 -4.514 6.390 7.286 406 H PHE 53 HN PHE 53 -2.762 5.735 4.639 407 HA PHE 53 HA PHE 53 -2.305 2.879 4.983 408 1HB PHE 53 HB2 PHE 53 -4.918 3.627 4.601 409 2HB PHE 53 HB1 PHE 53 -4.380 3.286 2.965 410 HD1 PHE 53 HD1 PHE 53 -4.862 1.875 6.343 411 HD2 PHE 53 HD2 PHE 53 -3.778 1.061 2.278 412 HE1 PHE 53 HE1 PHE 53 -5.112 -0.542 6.758 413 HE2 PHE 53 HE2 PHE 53 -4.039 -1.351 2.681 414 HZ PHE 53 HZ PHE 53 -4.694 -2.177 4.933 415 H VAL 54 HN VAL 54 -1.036 2.080 3.271 416 HA VAL 54 HA VAL 54 -0.763 3.848 0.867 417 HB VAL 54 HB VAL 54 1.543 2.526 2.290 418 1HG1 VAL 54 HG12 VAL 54 1.234 3.899 -0.280 419 2HG1 VAL 54 HG11 VAL 54 2.529 4.564 0.714 420 3HG1 VAL 54 HG13 VAL 54 2.533 2.854 0.289 421 1HG2 VAL 54 HG23 VAL 54 0.561 5.387 2.345 422 2HG2 VAL 54 HG22 VAL 54 0.768 4.301 3.719 423 3HG2 VAL 54 HG21 VAL 54 2.180 4.914 2.859 424 H ILE 55 HN ILE 55 -1.310 2.654 -0.861 425 HA ILE 55 HA ILE 55 -0.775 -0.288 -0.852 426 HB ILE 55 HB ILE 55 -2.342 1.403 -2.846 427 1HG1 ILE 55 HG12 ILE 55 -3.342 -0.353 -0.580 428 2HG1 ILE 55 HG11 ILE 55 -3.344 1.410 -0.563 429 1HG2 ILE 55 HG21 ILE 55 -1.427 -0.780 -3.670 430 2HG2 ILE 55 HG23 ILE 55 -2.301 -1.588 -2.369 431 3HG2 ILE 55 HG22 ILE 55 -3.189 -0.739 -3.633 432 1HD1 ILE 55 HD11 ILE 55 -4.791 1.419 -2.576 433 2HD1 ILE 55 HD13 ILE 55 -4.817 -0.344 -2.554 434 3HD1 ILE 55 HD12 ILE 55 -5.551 0.563 -1.235 435 H SER 56 HN SER 56 1.559 0.028 -1.176 436 HA SER 56 HA SER 56 2.402 1.451 -3.626 437 1HB SER 56 HB2 SER 56 4.686 1.040 -2.807 438 2HB SER 56 HB1 SER 56 3.692 1.763 -1.544 439 HG SER 56 HG SER 56 4.983 -0.577 -1.540 440 H ASP 57 HN ASP 57 4.185 0.281 -4.935 441 HA ASP 57 HA ASP 57 3.103 -2.375 -5.687 442 1HB ASP 57 HB2 ASP 57 4.753 -2.031 -7.648 443 2HB ASP 57 HB1 ASP 57 3.338 -0.981 -7.583 444 CH2 TRP 58 CH2 TRP 58 9.037 -6.744 -1.008 445 H TRP 58 HN TRP 58 6.328 -1.942 -6.659 446 HA TRP 58 HA TRP 58 7.541 -3.137 -4.276 447 1HB TRP 58 HB2 TRP 58 6.319 -5.027 -5.466 448 2HB TRP 58 HB1 TRP 58 7.444 -4.808 -6.802 449 HD1 TRP 58 HD1 TRP 58 9.617 -6.124 -6.648 450 HE1 TRP 58 HE1 TRP 58 10.894 -7.350 -4.772 451 HE3 TRP 58 HE3 TRP 58 6.730 -4.844 -2.643 452 HZ2 TRP 58 HZ2 TRP 58 10.707 -7.740 -1.941 453 HZ3 TRP 58 HZ3 TRP 58 7.298 -5.653 -0.375 454 HH2 TRP 58 HH2 TRP 58 9.277 -7.089 -0.015 455 H ASN 59 HN ASN 59 8.501 -3.692 -7.660 456 HA ASN 59 HA ASN 59 10.642 -1.647 -7.339 457 1HB ASN 59 HB2 ASN 59 11.164 -4.456 -8.342 458 2HB ASN 59 HB1 ASN 59 12.357 -3.190 -8.053 459 1HD2 ASN 59 HD22 ASN 59 11.970 -5.601 -5.083 460 2HD2 ASN 59 HD21 ASN 59 12.043 -5.927 -6.747 461 H MET 60 HN MET 60 8.096 -2.516 -9.126 462 HA MET 60 HA MET 60 9.011 -2.756 -11.777 463 1HB MET 60 HB2 MET 60 6.509 -2.181 -10.506 464 2HB MET 60 HB1 MET 60 6.737 -1.046 -11.839 465 1HG MET 60 HG2 MET 60 7.063 -4.052 -12.057 466 2HG MET 60 HG1 MET 60 5.632 -3.157 -12.567 467 1HE MET 60 HE2 MET 60 6.277 -4.765 -14.439 468 2HE MET 60 HE1 MET 60 5.614 -3.408 -15.347 469 3HE MET 60 HE3 MET 60 7.103 -4.194 -15.886 470 HA PRO 61 HA PRO 61 9.191 2.056 -12.027 471 1HB PRO 61 HB2 PRO 61 9.621 3.113 -9.383 472 2HB PRO 61 HB1 PRO 61 8.266 3.433 -10.474 473 1HG PRO 61 HG2 PRO 61 8.212 1.910 -8.055 474 2HG PRO 61 HG1 PRO 61 6.892 2.132 -9.210 475 1HD PRO 61 HD2 PRO 61 8.528 -0.222 -8.753 476 2HD PRO 61 HD1 PRO 61 7.084 -0.057 -9.765 477 H ASN 62 HN ASN 62 11.107 3.647 -10.574 478 HA ASN 62 HA ASN 62 13.534 2.079 -11.137 479 1HB ASN 62 HB2 ASN 62 14.705 4.231 -10.665 480 2HB ASN 62 HB1 ASN 62 13.450 4.405 -11.893 481 1HD2 ASN 62 HD22 ASN 62 11.509 5.596 -8.667 482 2HD2 ASN 62 HD21 ASN 62 11.664 3.987 -9.185 483 H MET 63 HN MET 63 15.060 1.469 -9.573 484 HA MET 63 HA MET 63 15.938 1.061 -7.426 485 1HB MET 63 HB2 MET 63 14.953 3.557 -7.144 486 2HB MET 63 HB1 MET 63 13.875 2.699 -6.043 487 1HG MET 63 HG2 MET 63 15.864 1.709 -4.915 488 2HG MET 63 HG1 MET 63 16.907 2.662 -5.970 489 1HE MET 63 HE2 MET 63 16.733 4.968 -6.358 490 2HE MET 63 HE1 MET 63 15.130 5.625 -6.041 491 3HE MET 63 HE3 MET 63 16.521 6.193 -5.109 492 H ASP 64 HN ASP 64 14.197 1.005 -5.012 493 HA ASP 64 HA ASP 64 12.268 -1.148 -5.743 494 1HB ASP 64 HB2 ASP 64 13.128 -2.330 -3.601 495 2HB ASP 64 HB1 ASP 64 14.109 -2.458 -5.062 496 H GLY 65 HN GLY 65 10.758 -1.613 -3.878 497 1HA GLY 65 HA2 GLY 65 10.047 0.945 -2.580 498 2HA GLY 65 HA1 GLY 65 9.019 -0.479 -2.658 499 H LEU 66 HN LEU 66 11.679 -1.972 -1.795 500 HA LEU 66 HA LEU 66 10.981 -2.389 0.891 501 1HB LEU 66 HB2 LEU 66 13.076 -3.227 -0.806 502 2HB LEU 66 HB1 LEU 66 13.864 -2.501 0.592 503 HG LEU 66 HG LEU 66 13.488 -4.881 1.010 504 1HD1 LEU 66 HD13 LEU 66 12.707 -2.782 2.672 505 2HD1 LEU 66 HD12 LEU 66 11.360 -3.917 2.760 506 3HD1 LEU 66 HD11 LEU 66 12.990 -4.451 3.170 507 1HD2 LEU 66 HD21 LEU 66 11.200 -4.564 -0.490 508 2HD2 LEU 66 HD23 LEU 66 11.552 -5.970 0.511 509 3HD2 LEU 66 HD22 LEU 66 10.550 -4.668 1.143 510 H GLU 67 HN GLU 67 13.510 -0.177 -0.346 511 HA GLU 67 HA GLU 67 14.218 0.988 2.121 512 1HB GLU 67 HB2 GLU 67 14.661 1.546 -0.636 513 2HB GLU 67 HB1 GLU 67 14.102 3.043 0.114 514 1HG GLU 67 HG2 GLU 67 16.350 1.310 1.184 515 2HG GLU 67 HG1 GLU 67 16.577 2.787 0.247 516 H LEU 68 HN LEU 68 11.319 1.271 0.252 517 HA LEU 68 HA LEU 68 10.345 3.752 1.338 518 1HB LEU 68 HB2 LEU 68 9.494 2.217 -0.680 519 2HB LEU 68 HB1 LEU 68 8.467 1.547 0.580 520 HG LEU 68 HG LEU 68 7.709 3.869 1.131 521 1HD1 LEU 68 HD13 LEU 68 9.669 4.479 -1.011 522 2HD1 LEU 68 HD12 LEU 68 8.135 5.334 -1.105 523 3HD1 LEU 68 HD11 LEU 68 9.125 5.470 0.341 524 1HD2 LEU 68 HD21 LEU 68 7.105 2.249 -1.196 525 2HD2 LEU 68 HD23 LEU 68 6.004 3.156 -0.160 526 3HD2 LEU 68 HD22 LEU 68 6.787 3.950 -1.525 527 H LEU 69 HN LEU 69 9.547 0.364 2.125 528 HA LEU 69 HA LEU 69 7.948 0.893 4.409 529 1HB LEU 69 HB2 LEU 69 8.855 -1.338 3.062 530 2HB LEU 69 HB1 LEU 69 9.660 -1.480 4.619 531 HG LEU 69 HG LEU 69 6.686 -1.032 4.286 532 1HD1 LEU 69 HD11 LEU 69 8.290 -3.427 3.973 533 2HD1 LEU 69 HD13 LEU 69 7.183 -3.595 5.336 534 3HD1 LEU 69 HD12 LEU 69 6.557 -3.211 3.734 535 1HD2 LEU 69 HD23 LEU 69 8.469 -0.967 6.562 536 2HD2 LEU 69 HD22 LEU 69 6.730 -0.688 6.523 537 3HD2 LEU 69 HD21 LEU 69 7.356 -2.325 6.727 538 H LYS 70 HN LYS 70 11.333 -0.265 4.460 539 HA LYS 70 HA LYS 70 11.921 0.150 7.137 540 1HB LYS 70 HB2 LYS 70 13.416 -0.528 4.989 541 2HB LYS 70 HB1 LYS 70 14.006 1.114 5.250 542 1HG LYS 70 HG2 LYS 70 14.400 0.533 7.655 543 2HG LYS 70 HG1 LYS 70 13.952 -1.133 7.285 544 1HD LYS 70 HD2 LYS 70 15.772 -1.224 5.595 545 2HD LYS 70 HD1 LYS 70 16.246 0.415 6.044 546 1HE LYS 70 HE2 LYS 70 17.552 -0.492 7.640 547 2HE LYS 70 HE1 LYS 70 16.076 -0.976 8.474 548 1HZ LYS 70 HZ3 LYS 70 17.059 -2.642 6.270 549 2HZ LYS 70 HZ2 LYS 70 17.850 -2.736 7.771 550 3HZ LYS 70 HZ1 LYS 70 16.192 -3.090 7.658 551 H THR 71 HN THR 71 12.089 2.630 4.560 552 HA THR 71 HA THR 71 12.924 4.753 6.301 553 HB THR 71 HB THR 71 11.978 6.243 4.485 554 HG1 THR 71 HG1 THR 71 11.571 4.634 2.574 555 1HG2 THR 71 HG23 THR 71 13.955 4.043 4.041 556 2HG2 THR 71 HG22 THR 71 13.500 5.049 2.665 557 3HG2 THR 71 HG21 THR 71 14.213 5.787 4.100 558 H ILE 72 HN ILE 72 9.707 3.669 5.221 559 HA ILE 72 HA ILE 72 8.154 5.675 6.466 560 HB ILE 72 HB ILE 72 7.593 2.743 5.960 561 1HG1 ILE 72 HG12 ILE 72 6.200 5.074 4.676 562 2HG1 ILE 72 HG11 ILE 72 7.820 4.654 4.131 563 1HG2 ILE 72 HG23 ILE 72 6.021 4.799 7.425 564 2HG2 ILE 72 HG22 ILE 72 5.134 3.807 6.271 565 3HG2 ILE 72 HG21 ILE 72 6.012 3.044 7.596 566 1HD1 ILE 72 HD13 ILE 72 5.988 2.345 4.381 567 2HD1 ILE 72 HD12 ILE 72 5.517 3.517 3.157 568 3HD1 ILE 72 HD11 ILE 72 7.102 2.757 3.084 569 NH1 ARG 73 NH2 ARG 73 9.604 -2.629 13.177 570 NH2 ARG 73 NH1 ARG 73 11.462 -1.764 14.128 571 H ARG 73 HN ARG 73 9.885 2.950 7.813 572 HA ARG 73 HA ARG 73 8.581 3.270 10.444 573 1HB ARG 73 HB2 ARG 73 9.786 1.122 9.137 574 2HB ARG 73 HB1 ARG 73 10.951 1.570 10.383 575 1HG ARG 73 HG2 ARG 73 9.069 1.554 12.052 576 2HG ARG 73 HG1 ARG 73 8.022 0.910 10.788 577 1HD ARG 73 HD2 ARG 73 8.734 -1.143 11.392 578 2HD ARG 73 HD1 ARG 73 10.293 -0.714 10.689 579 HE ARG 73 HE ARG 73 10.407 0.357 13.240 580 1HH1 ARG 73 HH21 ARG 73 8.801 -2.522 12.591 581 2HH1 ARG 73 HH22 ARG 73 9.786 -3.507 13.620 582 1HH2 ARG 73 HH11 ARG 73 12.083 -0.994 14.270 583 2HH2 ARG 73 HH12 ARG 73 11.644 -2.642 14.570 584 H ALA 74 HN ALA 74 11.565 4.112 8.801 585 HA ALA 74 HA ALA 74 13.270 4.697 10.941 586 1HB ALA 74 HB1 ALA 74 13.872 4.950 8.534 587 2HB ALA 74 HB3 ALA 74 12.878 6.405 8.464 588 3HB ALA 74 HB2 ALA 74 14.314 6.365 9.488 589 H ASP 75 HN ASP 75 10.408 6.420 9.867 590 HA ASP 75 HA ASP 75 10.941 8.748 11.564 591 1HB ASP 75 HB2 ASP 75 9.311 8.276 9.373 592 2HB ASP 75 HB1 ASP 75 8.164 8.346 10.711 593 H GLY 76 HN GLY 76 10.769 8.520 13.744 594 1HA GLY 76 HA2 GLY 76 9.234 6.390 14.970 595 2HA GLY 76 HA1 GLY 76 10.025 7.715 15.828 596 H ALA 77 HN ALA 77 8.553 9.666 14.017 597 HA ALA 77 HA ALA 77 6.416 10.315 15.747 598 1HB ALA 77 HB2 ALA 77 6.989 10.995 12.864 599 2HB ALA 77 HB1 ALA 77 5.532 11.583 13.665 600 3HB ALA 77 HB3 ALA 77 7.121 12.031 14.284 601 H MET 78 HN MET 78 6.346 8.504 12.670 602 HA MET 78 HA MET 78 3.524 7.739 13.231 603 1HB MET 78 HB2 MET 78 5.265 7.728 10.777 604 2HB MET 78 HB1 MET 78 3.832 6.704 10.848 605 1HG MET 78 HG2 MET 78 3.546 9.075 9.861 606 2HG MET 78 HG1 MET 78 2.375 8.554 11.073 607 1HE MET 78 HE2 MET 78 5.848 10.259 10.587 608 2HE MET 78 HE1 MET 78 4.554 11.232 9.890 609 3HE MET 78 HE3 MET 78 5.486 11.845 11.264 610 H SER 79 HN SER 79 6.160 5.980 11.640 611 HA SER 79 HA SER 79 6.743 3.703 11.821 612 1HB SER 79 HB2 SER 79 7.406 5.088 14.128 613 2HB SER 79 HB1 SER 79 6.549 3.678 14.744 614 HG SER 79 HG SER 79 7.981 2.362 13.684 615 H ALA 80 HN ALA 80 3.741 4.461 12.016 616 HA ALA 80 HA ALA 80 2.891 1.730 12.756 617 1HB ALA 80 HB3 ALA 80 2.743 3.397 14.774 618 2HB ALA 80 HB2 ALA 80 1.335 4.024 13.918 619 3HB ALA 80 HB1 ALA 80 1.376 2.337 14.431 620 H LEU 81 HN LEU 81 2.973 3.678 10.348 621 HA LEU 81 HA LEU 81 0.139 4.028 9.762 622 1HB LEU 81 HB2 LEU 81 2.703 4.736 8.448 623 2HB LEU 81 HB1 LEU 81 1.322 4.509 7.379 624 HG LEU 81 HG LEU 81 1.373 6.357 9.791 625 1HD1 LEU 81 HD11 LEU 81 1.990 6.716 6.902 626 2HD1 LEU 81 HD13 LEU 81 1.022 7.975 7.668 627 3HD1 LEU 81 HD12 LEU 81 2.620 7.583 8.303 628 1HD2 LEU 81 HD22 LEU 81 -0.751 5.353 8.025 629 2HD2 LEU 81 HD21 LEU 81 -0.882 6.167 9.582 630 3HD2 LEU 81 HD23 LEU 81 -0.692 7.113 8.107 631 HA PRO 82 HA PRO 82 -0.021 -0.248 8.262 632 1HB PRO 82 HB2 PRO 82 -2.543 0.237 6.962 633 2HB PRO 82 HB1 PRO 82 -2.233 -0.673 8.439 634 1HG PRO 82 HG2 PRO 82 -3.461 1.906 8.206 635 2HG PRO 82 HG1 PRO 82 -3.113 1.010 9.685 636 1HD PRO 82 HD2 PRO 82 -1.786 3.365 8.693 637 2HD PRO 82 HD1 PRO 82 -1.454 2.465 10.189 638 H VAL 83 HN VAL 83 1.573 -0.198 6.639 639 HA VAL 83 HA VAL 83 0.793 0.907 3.973 640 HB VAL 83 HB VAL 83 3.406 0.090 5.222 641 1HG1 VAL 83 HG12 VAL 83 2.684 -0.032 2.285 642 2HG1 VAL 83 HG11 VAL 83 4.329 0.341 2.787 643 3HG1 VAL 83 HG13 VAL 83 3.604 -1.198 3.245 644 1HG2 VAL 83 HG21 VAL 83 2.196 2.540 4.479 645 2HG2 VAL 83 HG23 VAL 83 3.811 2.272 5.108 646 3HG2 VAL 83 HG22 VAL 83 3.543 2.269 3.370 647 H LEU 84 HN LEU 84 -0.084 -0.517 2.582 648 HA LEU 84 HA LEU 84 0.480 -3.381 3.056 649 1HB LEU 84 HB2 LEU 84 -1.927 -2.294 2.690 650 2HB LEU 84 HB1 LEU 84 -1.488 -2.489 1.002 651 HG LEU 84 HG LEU 84 -2.639 -4.478 1.629 652 1HD1 LEU 84 HD13 LEU 84 -0.402 -4.714 0.378 653 2HD1 LEU 84 HD12 LEU 84 0.242 -5.326 1.896 654 3HD1 LEU 84 HD11 LEU 84 -1.082 -6.165 1.098 655 1HD2 LEU 84 HD22 LEU 84 -1.957 -4.006 4.193 656 2HD2 LEU 84 HD21 LEU 84 -2.443 -5.606 3.640 657 3HD2 LEU 84 HD23 LEU 84 -0.734 -5.218 3.810 658 H MET 85 HN MET 85 2.295 -3.935 2.016 659 HA MET 85 HA MET 85 3.004 -2.544 -0.452 660 1HB MET 85 HB2 MET 85 4.399 -3.875 1.590 661 2HB MET 85 HB1 MET 85 4.628 -4.884 0.163 662 1HG MET 85 HG2 MET 85 5.473 -2.997 -1.106 663 2HG MET 85 HG1 MET 85 5.100 -1.887 0.213 664 1HE MET 85 HE2 MET 85 7.613 -2.179 -1.359 665 2HE MET 85 HE1 MET 85 8.035 -1.174 0.024 666 3HE MET 85 HE3 MET 85 9.031 -2.573 -0.396 667 H VAL 86 HN VAL 86 1.909 -3.246 -2.332 668 HA VAL 86 HA VAL 86 1.184 -6.114 -2.528 669 HB VAL 86 HB VAL 86 -0.538 -5.515 -3.885 670 1HG1 VAL 86 HG11 VAL 86 -0.389 -3.917 -1.782 671 2HG1 VAL 86 HG13 VAL 86 -0.220 -2.685 -3.027 672 3HG1 VAL 86 HG12 VAL 86 -1.647 -3.719 -2.990 673 1HG2 VAL 86 HG22 VAL 86 1.238 -3.344 -4.939 674 2HG2 VAL 86 HG21 VAL 86 0.658 -4.761 -5.797 675 3HG2 VAL 86 HG23 VAL 86 -0.455 -3.463 -5.382 676 H THR 87 HN THR 87 1.518 -7.209 -4.620 677 HA THR 87 HA THR 87 3.684 -6.087 -6.302 678 HB THR 87 HB THR 87 4.830 -7.285 -4.431 679 HG1 THR 87 HG1 THR 87 5.448 -9.026 -6.362 680 1HG2 THR 87 HG22 THR 87 2.746 -9.078 -4.703 681 2HG2 THR 87 HG21 THR 87 4.104 -9.941 -5.425 682 3HG2 THR 87 HG23 THR 87 4.214 -9.353 -3.765 683 H ALA 88 HN ALA 88 4.256 -8.665 -7.531 684 HA ALA 88 HA ALA 88 1.646 -9.658 -8.482 685 1HB ALA 88 HB3 ALA 88 2.261 -7.614 -9.876 686 2HB ALA 88 HB2 ALA 88 3.639 -8.542 -10.470 687 3HB ALA 88 HB1 ALA 88 1.996 -9.100 -10.788 688 H GLU 89 HN GLU 89 3.953 -10.781 -7.054 689 HA GLU 89 HA GLU 89 4.363 -13.122 -8.781 690 1HB GLU 89 HB2 GLU 89 6.295 -11.093 -8.812 691 2HB GLU 89 HB1 GLU 89 6.946 -12.310 -7.711 692 1HG GLU 89 HG2 GLU 89 5.942 -12.825 -10.528 693 2HG GLU 89 HG1 GLU 89 7.633 -12.791 -10.025 694 H ALA 90 HN ALA 90 5.792 -11.625 -5.852 695 HA ALA 90 HA ALA 90 6.095 -12.515 -3.704 696 1HB ALA 90 HB2 ALA 90 3.389 -13.047 -4.533 697 2HB ALA 90 HB1 ALA 90 3.965 -14.365 -3.513 698 3HB ALA 90 HB3 ALA 90 4.001 -12.708 -2.917 699 H LYS 91 HN LYS 91 7.950 -13.756 -3.891 700 HA LYS 91 HA LYS 91 7.594 -16.630 -4.657 701 1HB LYS 91 HB2 LYS 91 9.260 -15.037 -5.912 702 2HB LYS 91 HB1 LYS 91 10.268 -15.266 -4.483 703 1HG LYS 91 HG2 LYS 91 10.154 -17.709 -4.782 704 2HG LYS 91 HG1 LYS 91 9.131 -17.491 -6.204 705 1HD LYS 91 HD2 LYS 91 11.041 -16.025 -7.128 706 2HD LYS 91 HD1 LYS 91 12.033 -16.737 -5.854 707 1HE LYS 91 HE2 LYS 91 12.293 -18.047 -7.897 708 2HE LYS 91 HE1 LYS 91 11.422 -19.005 -6.699 709 1HZ LYS 91 HZ3 LYS 91 10.152 -17.428 -8.871 710 2HZ LYS 91 HZ2 LYS 91 10.391 -19.110 -8.897 711 3HZ LYS 91 HZ1 LYS 91 9.349 -18.414 -7.750 712 H LYS 92 HN LYS 92 6.750 -16.154 -2.171 713 HA LYS 92 HA LYS 92 7.087 -16.652 0.091 714 1HB LYS 92 HB2 LYS 92 9.189 -18.370 -1.244 715 2HB LYS 92 HB1 LYS 92 8.898 -18.415 0.493 716 1HG LYS 92 HG2 LYS 92 6.582 -19.057 0.143 717 2HG LYS 92 HG1 LYS 92 6.753 -18.863 -1.602 718 1HD LYS 92 HD2 LYS 92 8.442 -20.664 -1.638 719 2HD LYS 92 HD1 LYS 92 8.267 -20.862 0.106 720 1HE LYS 92 HE2 LYS 92 5.711 -21.145 -0.486 721 2HE LYS 92 HE1 LYS 92 6.336 -21.558 -2.082 722 1HZ LYS 92 HZ3 LYS 92 7.935 -23.034 -0.623 723 2HZ LYS 92 HZ2 LYS 92 6.623 -22.978 0.455 724 3HZ LYS 92 HZ1 LYS 92 6.411 -23.592 -1.115 725 H GLU 93 HN GLU 93 10.511 -16.914 -0.776 726 HA GLU 93 HA GLU 93 11.582 -15.540 1.352 727 1HB GLU 93 HB2 GLU 93 12.613 -15.237 -1.477 728 2HB GLU 93 HB1 GLU 93 13.549 -15.143 0.015 729 1HG GLU 93 HG2 GLU 93 12.220 -17.611 0.152 730 2HG GLU 93 HG1 GLU 93 12.782 -17.488 -1.516 731 H ASN 94 HN ASN 94 10.800 -13.964 -1.785 732 HA ASN 94 HA ASN 94 11.367 -11.328 -0.961 733 1HB ASN 94 HB2 ASN 94 10.913 -11.176 -3.171 734 2HB ASN 94 HB1 ASN 94 9.852 -12.581 -3.133 735 1HD2 ASN 94 HD22 ASN 94 8.120 -8.996 -2.080 736 2HD2 ASN 94 HD21 ASN 94 9.700 -9.330 -1.557 737 H ILE 95 HN ILE 95 8.279 -13.099 -0.729 738 HA ILE 95 HA ILE 95 6.658 -11.064 0.295 739 HB ILE 95 HB ILE 95 6.696 -13.921 1.323 740 1HG1 ILE 95 HG12 ILE 95 5.532 -12.666 -1.170 741 2HG1 ILE 95 HG11 ILE 95 6.627 -14.043 -1.067 742 1HG2 ILE 95 HG23 ILE 95 5.246 -12.110 2.468 743 2HG2 ILE 95 HG22 ILE 95 4.326 -12.074 0.966 744 3HG2 ILE 95 HG21 ILE 95 4.416 -13.560 1.909 745 1HD1 ILE 95 HD13 ILE 95 4.603 -14.991 0.440 746 2HD1 ILE 95 HD12 ILE 95 3.688 -13.922 -0.622 747 3HD1 ILE 95 HD11 ILE 95 4.670 -15.217 -1.307 748 H ILE 96 HN ILE 96 9.138 -12.958 1.970 749 HA ILE 96 HA ILE 96 8.541 -11.808 4.574 750 HB ILE 96 HB ILE 96 10.786 -13.459 3.435 751 1HG1 ILE 96 HG12 ILE 96 9.065 -13.877 5.890 752 2HG1 ILE 96 HG11 ILE 96 8.570 -14.407 4.282 753 1HG2 ILE 96 HG22 ILE 96 10.765 -11.868 5.993 754 2HG2 ILE 96 HG21 ILE 96 11.657 -13.386 5.888 755 3HG2 ILE 96 HG23 ILE 96 12.066 -12.047 4.816 756 1HD1 ILE 96 HD11 ILE 96 11.313 -15.197 4.936 757 2HD1 ILE 96 HD13 ILE 96 10.125 -15.873 6.050 758 3HD1 ILE 96 HD12 ILE 96 9.981 -16.174 4.318 759 H ALA 97 HN ALA 97 10.461 -10.897 1.810 760 HA ALA 97 HA ALA 97 12.304 -9.128 3.017 761 1HB ALA 97 HB3 ALA 97 12.253 -9.796 0.587 762 2HB ALA 97 HB2 ALA 97 10.918 -8.670 0.368 763 3HB ALA 97 HB1 ALA 97 12.502 -8.072 0.859 764 H ALA 98 HN ALA 98 9.052 -8.345 1.725 765 HA ALA 98 HA ALA 98 9.031 -5.636 2.616 766 1HB ALA 98 HB2 ALA 98 7.195 -7.248 1.329 767 2HB ALA 98 HB1 ALA 98 6.454 -7.022 2.913 768 3HB ALA 98 HB3 ALA 98 6.863 -5.621 1.927 769 H ALA 99 HN ALA 99 7.509 -8.469 4.140 770 HA ALA 99 HA ALA 99 6.863 -7.193 6.539 771 1HB ALA 99 HB3 ALA 99 7.355 -10.047 5.763 772 2HB ALA 99 HB2 ALA 99 7.165 -9.651 7.472 773 3HB ALA 99 HB1 ALA 99 5.870 -9.284 6.332 774 H GLN 100 HN GLN 100 9.964 -8.274 5.349 775 HA GLN 100 HA GLN 100 11.386 -8.696 7.759 776 1HB GLN 100 HB2 GLN 100 12.275 -8.778 5.314 777 2HB GLN 100 HB1 GLN 100 12.544 -7.046 5.505 778 1HG GLN 100 HG2 GLN 100 13.855 -7.565 7.596 779 2HG GLN 100 HG1 GLN 100 13.728 -9.274 7.179 780 1HE2 GLN 100 HE22 GLN 100 15.693 -8.703 4.085 781 2HE2 GLN 100 HE21 GLN 100 14.179 -9.363 4.474 782 H ALA 101 HN ALA 101 10.160 -5.845 6.207 783 HA ALA 101 HA ALA 101 11.308 -4.058 8.282 784 1HB ALA 101 HB1 ALA 101 11.136 -3.381 5.821 785 2HB ALA 101 HB3 ALA 101 9.389 -3.341 6.043 786 3HB ALA 101 HB2 ALA 101 10.418 -2.244 6.962 787 H GLY 102 HN GLY 102 8.528 -5.851 7.415 788 1HA GLY 102 HA2 GLY 102 6.601 -6.364 8.604 789 2HA GLY 102 HA1 GLY 102 7.317 -5.523 9.955 790 H ALA 103 HN ALA 103 5.614 -4.808 6.829 791 HA ALA 103 HA ALA 103 4.825 -2.200 8.034 792 1HB ALA 103 HB1 ALA 103 4.189 -3.605 5.432 793 2HB ALA 103 HB3 ALA 103 3.598 -2.010 5.850 794 3HB ALA 103 HB2 ALA 103 5.291 -2.280 5.659 795 H SER 104 HN SER 104 2.514 -3.293 6.054 796 HA SER 104 HA SER 104 0.599 -3.926 8.241 797 1HB SER 104 HB2 SER 104 0.065 -3.580 5.285 798 2HB SER 104 HB1 SER 104 -1.141 -3.674 6.559 799 HG SER 104 HG SER 104 -0.688 -1.514 5.972 800 H GLY 105 HN GLY 105 1.661 -5.065 5.139 801 1HA GLY 105 HA2 GLY 105 2.234 -7.722 5.604 802 2HA GLY 105 HA1 GLY 105 0.493 -7.709 5.330 803 OH TYR 106 OH TYR 106 1.390 -13.123 -2.478 804 H TYR 106 HN TYR 106 1.007 -8.932 3.303 805 HA TYR 106 HA TYR 106 1.691 -7.028 1.113 806 1HB TYR 106 HB2 TYR 106 3.520 -8.199 0.525 807 2HB TYR 106 HB1 TYR 106 3.273 -9.267 1.906 808 HD1 TYR 106 HD1 TYR 106 1.668 -11.240 1.648 809 HD2 TYR 106 HD2 TYR 106 3.104 -8.973 -1.711 810 HE1 TYR 106 HE1 TYR 106 1.052 -13.095 0.138 811 HE2 TYR 106 HE2 TYR 106 2.485 -10.834 -3.212 812 HH TYR 106 HH TYR 106 2.106 -13.242 -3.106 813 H VAL 107 HN VAL 107 0.586 -7.368 -0.817 814 HA VAL 107 HA VAL 107 -1.384 -9.617 -0.857 815 HB VAL 107 HB VAL 107 -2.627 -7.673 -0.031 816 1HG1 VAL 107 HG11 VAL 107 -0.882 -6.187 -1.533 817 2HG1 VAL 107 HG13 VAL 107 -2.334 -6.124 -2.524 818 3HG1 VAL 107 HG12 VAL 107 -2.379 -5.565 -0.853 819 1HG2 VAL 107 HG21 VAL 107 -3.260 -9.221 -2.262 820 2HG2 VAL 107 HG23 VAL 107 -4.388 -8.231 -1.336 821 3HG2 VAL 107 HG22 VAL 107 -3.615 -7.574 -2.777 822 H VAL 108 HN VAL 108 -1.355 -10.628 -2.799 823 HA VAL 108 HA VAL 108 0.446 -9.742 -4.856 824 HB VAL 108 HB VAL 108 -1.393 -11.581 -5.998 825 1HG1 VAL 108 HG11 VAL 108 1.103 -11.493 -6.243 826 2HG1 VAL 108 HG13 VAL 108 1.235 -12.170 -4.622 827 3HG1 VAL 108 HG12 VAL 108 0.483 -13.109 -5.905 828 1HG2 VAL 108 HG21 VAL 108 -2.310 -11.893 -3.722 829 2HG2 VAL 108 HG23 VAL 108 -1.484 -13.346 -4.285 830 3HG2 VAL 108 HG22 VAL 108 -0.695 -12.275 -3.130 831 H LYS 109 HN LYS 109 -0.088 -8.950 -6.979 832 HA LYS 109 HA LYS 109 -2.878 -7.953 -7.332 833 1HB LYS 109 HB2 LYS 109 -2.188 -5.802 -7.479 834 2HB LYS 109 HB1 LYS 109 -0.657 -6.356 -6.824 835 1HG LYS 109 HG2 LYS 109 0.169 -6.771 -9.138 836 2HG LYS 109 HG1 LYS 109 -1.347 -6.128 -9.776 837 1HD LYS 109 HD2 LYS 109 -0.573 -4.039 -9.591 838 2HD LYS 109 HD1 LYS 109 -0.325 -4.267 -7.862 839 1HE LYS 109 HE2 LYS 109 1.646 -5.180 -9.976 840 2HE LYS 109 HE1 LYS 109 1.764 -3.641 -9.123 841 1HZ LYS 109 HZ2 LYS 109 1.354 -5.787 -7.312 842 2HZ LYS 109 HZ1 LYS 109 2.725 -6.070 -8.275 843 3HZ LYS 109 HZ3 LYS 109 2.612 -4.647 -7.360 844 HA PRO 110 HA PRO 110 -3.571 -6.428 -9.221 845 1HB PRO 110 HB2 PRO 110 -5.499 -7.455 -11.074 846 2HB PRO 110 HB1 PRO 110 -4.465 -6.033 -11.271 847 1HG PRO 110 HG2 PRO 110 -4.267 -8.496 -12.695 848 2HG PRO 110 HG1 PRO 110 -3.138 -7.135 -12.761 849 1HD PRO 110 HD2 PRO 110 -2.813 -9.723 -11.424 850 2HD PRO 110 HD1 PRO 110 -1.595 -8.473 -11.748 851 H PHE 111 HN PHE 111 -4.852 -6.689 -7.426 852 HA PHE 111 HA PHE 111 -6.148 -9.309 -6.958 853 1HB PHE 111 HB2 PHE 111 -6.795 -8.116 -4.749 854 2HB PHE 111 HB1 PHE 111 -5.102 -8.529 -4.993 855 HD1 PHE 111 HD1 PHE 111 -7.590 -5.763 -5.422 856 HD2 PHE 111 HD2 PHE 111 -3.459 -6.838 -4.979 857 HE1 PHE 111 HE1 PHE 111 -6.960 -3.371 -5.308 858 HE2 PHE 111 HE2 PHE 111 -2.837 -4.451 -4.855 859 HZ PHE 111 HZ PHE 111 -4.594 -2.709 -5.015 860 H THR 112 HN THR 112 -8.365 -9.419 -6.377 861 HA THR 112 HA THR 112 -10.047 -7.452 -7.822 862 HB THR 112 HB THR 112 -11.284 -9.717 -6.332 863 HG1 THR 112 HG1 THR 112 -9.138 -10.209 -7.632 864 1HG2 THR 112 HG22 THR 112 -12.373 -8.032 -7.968 865 2HG2 THR 112 HG21 THR 112 -11.588 -8.973 -9.236 866 3HG2 THR 112 HG23 THR 112 -12.764 -9.740 -8.168 867 H ALA 113 HN ALA 113 -11.703 -6.263 -6.634 868 HA ALA 113 HA ALA 113 -10.942 -5.191 -4.180 869 1HB ALA 113 HB2 ALA 113 -12.968 -4.610 -5.789 870 2HB ALA 113 HB1 ALA 113 -13.874 -5.628 -4.669 871 3HB ALA 113 HB3 ALA 113 -13.047 -4.187 -4.079 872 H ALA 114 HN ALA 114 -12.656 -8.210 -4.767 873 HA ALA 114 HA ALA 114 -13.411 -8.653 -2.030 874 1HB ALA 114 HB2 ALA 114 -13.666 -10.046 -4.486 875 2HB ALA 114 HB1 ALA 114 -12.816 -11.132 -3.386 876 3HB ALA 114 HB3 ALA 114 -14.390 -10.475 -2.936 877 H THR 115 HN THR 115 -10.461 -9.312 -3.871 878 HA THR 115 HA THR 115 -9.236 -10.847 -1.741 879 HB THR 115 HB THR 115 -7.131 -9.779 -3.171 880 HG1 THR 115 HG1 THR 115 -9.335 -10.157 -4.910 881 1HG2 THR 115 HG21 THR 115 -8.854 -12.215 -3.664 882 2HG2 THR 115 HG23 THR 115 -7.320 -11.938 -4.490 883 3HG2 THR 115 HG22 THR 115 -7.357 -12.126 -2.736 884 H LEU 116 HN LEU 116 -8.372 -7.513 -2.951 885 HA LEU 116 HA LEU 116 -6.876 -6.842 -0.656 886 1HB LEU 116 HB2 LEU 116 -7.690 -5.479 -2.920 887 2HB LEU 116 HB1 LEU 116 -8.530 -4.622 -1.630 888 HG LEU 116 HG LEU 116 -6.350 -4.483 -0.380 889 1HD1 LEU 116 HD12 LEU 116 -5.503 -6.143 -2.628 890 2HD1 LEU 116 HD11 LEU 116 -4.486 -4.715 -2.444 891 3HD1 LEU 116 HD13 LEU 116 -4.691 -5.832 -1.097 892 1HD2 LEU 116 HD23 LEU 116 -6.976 -3.146 -2.948 893 2HD2 LEU 116 HD22 LEU 116 -6.697 -2.446 -1.355 894 3HD2 LEU 116 HD21 LEU 116 -5.330 -2.933 -2.358 895 H GLU 117 HN GLU 117 -10.412 -6.809 -1.098 896 HA GLU 117 HA GLU 117 -10.951 -5.439 1.362 897 1HB GLU 117 HB2 GLU 117 -12.665 -5.582 -0.373 898 2HB GLU 117 HB1 GLU 117 -12.688 -7.341 -0.227 899 1HG GLU 117 HG2 GLU 117 -13.123 -5.749 2.259 900 2HG GLU 117 HG1 GLU 117 -14.439 -5.803 1.084 901 H GLU 118 HN GLU 118 -11.461 -8.873 0.566 902 HA GLU 118 HA GLU 118 -11.936 -9.885 3.102 903 1HB GLU 118 HB2 GLU 118 -11.956 -11.274 1.062 904 2HB GLU 118 HB1 GLU 118 -10.198 -11.165 0.969 905 1HG GLU 118 HG2 GLU 118 -9.951 -12.825 2.469 906 2HG GLU 118 HG1 GLU 118 -11.023 -12.016 3.612 907 H LYS 119 HN LYS 119 -8.766 -9.151 1.661 908 HA LYS 119 HA LYS 119 -7.262 -10.067 3.959 909 1HB LYS 119 HB2 LYS 119 -6.705 -8.798 1.383 910 2HB LYS 119 HB1 LYS 119 -5.684 -8.165 2.677 911 1HG LYS 119 HG2 LYS 119 -4.865 -10.344 3.225 912 2HG LYS 119 HG1 LYS 119 -6.091 -11.129 2.228 913 1HD LYS 119 HD2 LYS 119 -4.361 -9.177 0.820 914 2HD LYS 119 HD1 LYS 119 -3.557 -10.646 1.374 915 1HE LYS 119 HE2 LYS 119 -6.179 -10.777 -0.108 916 2HE LYS 119 HE1 LYS 119 -4.645 -10.689 -0.975 917 1HZ LYS 119 HZ1 LYS 119 -4.039 -12.598 0.701 918 2HZ LYS 119 HZ3 LYS 119 -5.718 -12.835 0.698 919 3HZ LYS 119 HZ2 LYS 119 -4.847 -12.927 -0.758 920 H LEU 120 HN LEU 120 -8.850 -7.076 3.072 921 HA LEU 120 HA LEU 120 -7.507 -5.313 4.869 922 1HB LEU 120 HB2 LEU 120 -9.357 -4.893 3.000 923 2HB LEU 120 HB1 LEU 120 -10.444 -5.002 4.384 924 HG LEU 120 HG LEU 120 -8.660 -3.364 5.477 925 1HD1 LEU 120 HD12 LEU 120 -7.231 -3.527 3.375 926 2HD1 LEU 120 HD11 LEU 120 -8.490 -2.610 2.550 927 3HD1 LEU 120 HD13 LEU 120 -7.615 -1.889 3.901 928 1HD2 LEU 120 HD23 LEU 120 -10.919 -2.755 3.576 929 2HD2 LEU 120 HD22 LEU 120 -10.895 -2.635 5.335 930 3HD2 LEU 120 HD21 LEU 120 -10.030 -1.448 4.359 931 H ASN 121 HN ASN 121 -10.721 -6.843 5.328 932 HA ASN 121 HA ASN 121 -11.107 -6.210 8.007 933 1HB ASN 121 HB2 ASN 121 -12.007 -8.376 6.218 934 2HB ASN 121 HB1 ASN 121 -12.073 -8.772 7.935 935 1HD2 ASN 121 HD22 ASN 121 -14.212 -5.438 6.805 936 2HD2 ASN 121 HD21 ASN 121 -12.672 -5.695 6.137 937 H LYS 122 HN LYS 122 -9.047 -8.741 6.657 938 HA LYS 122 HA LYS 122 -8.405 -9.903 9.246 939 1HB LYS 122 HB2 LYS 122 -8.099 -10.753 6.668 940 2HB LYS 122 HB1 LYS 122 -6.458 -10.226 7.043 941 1HG LYS 122 HG2 LYS 122 -6.726 -11.567 9.232 942 2HG LYS 122 HG1 LYS 122 -8.116 -12.318 8.448 943 1HD LYS 122 HD2 LYS 122 -5.262 -12.302 7.421 944 2HD LYS 122 HD1 LYS 122 -6.141 -13.694 8.057 945 1HE LYS 122 HE2 LYS 122 -6.643 -12.182 5.492 946 2HE LYS 122 HE1 LYS 122 -6.323 -13.903 5.701 947 1HZ LYS 122 HZ1 LYS 122 -8.470 -13.808 7.121 948 2HZ LYS 122 HZ3 LYS 122 -8.786 -12.393 6.242 949 3HZ LYS 122 HZ2 LYS 122 -8.586 -13.871 5.427 950 H ILE 123 HN ILE 123 -7.111 -7.345 7.232 951 HA ILE 123 HA ILE 123 -4.611 -7.096 8.708 952 HB ILE 123 HB ILE 123 -6.053 -5.309 6.738 953 1HG1 ILE 123 HG12 ILE 123 -4.737 -7.570 6.208 954 2HG1 ILE 123 HG11 ILE 123 -4.621 -6.174 5.140 955 1HG2 ILE 123 HG23 ILE 123 -3.507 -4.856 8.296 956 2HG2 ILE 123 HG22 ILE 123 -3.782 -4.079 6.736 957 3HG2 ILE 123 HG21 ILE 123 -4.873 -3.761 8.082 958 1HD1 ILE 123 HD12 ILE 123 -2.685 -6.565 7.424 959 2HD1 ILE 123 HD11 ILE 123 -2.416 -7.310 5.849 960 3HD1 ILE 123 HD13 ILE 123 -2.502 -5.553 5.989 961 H PHE 124 HN PHE 124 -7.767 -5.459 8.735 962 HA PHE 124 HA PHE 124 -6.938 -3.551 10.754 963 1HB PHE 124 HB2 PHE 124 -9.551 -4.264 9.449 964 2HB PHE 124 HB1 PHE 124 -9.505 -3.182 10.841 965 HD1 PHE 124 HD2 PHE 124 -7.726 -3.761 7.603 966 HD2 PHE 124 HD1 PHE 124 -9.154 -0.891 10.459 967 HE1 PHE 124 HE2 PHE 124 -6.937 -1.920 6.148 968 HE2 PHE 124 HE1 PHE 124 -8.359 0.952 9.007 969 HZ PHE 124 HZ PHE 124 -7.255 0.432 6.847 970 H GLU 125 HN GLU 125 -7.449 -6.793 10.964 971 HA GLU 125 HA GLU 125 -8.970 -6.851 13.457 972 1HB GLU 125 HB2 GLU 125 -8.420 -8.761 11.611 973 2HB GLU 125 HB1 GLU 125 -7.144 -9.104 12.779 974 1HG GLU 125 HG2 GLU 125 -10.126 -9.014 13.301 975 2HG GLU 125 HG1 GLU 125 -9.063 -10.417 13.415 976 H LYS 126 HN LYS 126 -5.622 -6.656 12.460 977 HA LYS 126 HA LYS 126 -4.662 -6.904 15.245 978 1HB LYS 126 HB2 LYS 126 -3.381 -7.882 13.292 979 2HB LYS 126 HB1 LYS 126 -3.081 -6.234 12.742 980 1HG LYS 126 HG2 LYS 126 -1.312 -6.137 14.129 981 2HG LYS 126 HG1 LYS 126 -2.415 -6.291 15.496 982 1HD LYS 126 HD2 LYS 126 -2.303 -8.744 15.328 983 2HD LYS 126 HD1 LYS 126 -1.220 -8.606 13.942 984 1HE LYS 126 HE2 LYS 126 0.236 -8.948 15.774 985 2HE LYS 126 HE1 LYS 126 0.291 -7.206 15.502 986 1HZ LYS 126 HZ1 LYS 126 -1.841 -7.969 17.245 987 2HZ LYS 126 HZ3 LYS 126 -0.331 -8.449 17.849 988 3HZ LYS 126 HZ2 LYS 126 -0.615 -6.816 17.476 989 H LEU 127 HN LEU 127 -5.456 -4.518 12.842 990 HA LEU 127 HA LEU 127 -4.074 -2.322 14.176 991 1HB LEU 127 HB2 LEU 127 -5.000 -2.627 11.638 992 2HB LEU 127 HB1 LEU 127 -6.368 -1.768 12.339 993 HG LEU 127 HG LEU 127 -4.811 -0.159 11.383 994 1HD1 LEU 127 HD12 LEU 127 -5.965 0.240 13.652 995 2HD1 LEU 127 HD11 LEU 127 -4.372 -0.021 14.363 996 3HD1 LEU 127 HD13 LEU 127 -4.625 1.301 13.225 997 1HD2 LEU 127 HD23 LEU 127 -2.843 -1.960 12.214 998 2HD2 LEU 127 HD22 LEU 127 -2.566 -0.373 11.500 999 3HD2 LEU 127 HD21 LEU 127 -2.608 -0.554 13.253 1000 H GLY 128 HN GLY 128 -7.176 -3.902 14.385 1001 1HA GLY 128 HA2 GLY 128 -9.047 -3.465 15.740 1002 2HA GLY 128 HA1 GLY 128 -7.855 -2.872 16.898 1003 H MET 129 HN MET 129 -10.068 -1.937 14.342 1004 HA MET 129 HA MET 129 -9.432 0.926 14.718 1005 1HB MET 129 HB2 MET 129 -11.641 0.834 13.076 1006 2HB MET 129 HB1 MET 129 -9.970 0.824 12.514 1007 1HG MET 129 HG2 MET 129 -11.290 -1.033 11.524 1008 2HG MET 129 HG1 MET 129 -9.960 -1.629 12.512 1009 1HE MET 129 HE2 MET 129 -11.260 -3.861 12.255 1010 2HE MET 129 HE1 MET 129 -10.390 -3.709 13.780 1011 3HE MET 129 HE3 MET 129 -12.012 -4.412 13.751 Start of MODEL 11 Raw file had 1011 H/Q atoms Start of MODEL 11 1 H ALA 2 HN ALA 2 -14.302 -1.085 8.311 2 HA ALA 2 HA ALA 2 -12.820 0.557 10.171 3 1HB ALA 2 HB2 ALA 2 -12.364 -0.703 7.563 4 2HB ALA 2 HB1 ALA 2 -11.580 0.870 7.707 5 3HB ALA 2 HB3 ALA 2 -11.225 -0.402 8.876 6 H ASP 3 HN ASP 3 -12.211 2.781 9.890 7 HA ASP 3 HA ASP 3 -14.190 4.636 9.250 8 1HB ASP 3 HB2 ASP 3 -11.326 4.692 9.718 9 2HB ASP 3 HB1 ASP 3 -11.757 5.844 8.454 10 H LYS 4 HN LYS 4 -15.053 5.375 7.287 11 HA LYS 4 HA LYS 4 -13.921 4.183 4.834 12 1HB LYS 4 HB2 LYS 4 -15.993 5.543 3.852 13 2HB LYS 4 HB1 LYS 4 -16.202 3.980 4.631 14 1HG LYS 4 HG2 LYS 4 -16.997 4.951 6.624 15 2HG LYS 4 HG1 LYS 4 -16.330 6.536 6.221 16 1HD LYS 4 HD2 LYS 4 -18.331 5.348 4.346 17 2HD LYS 4 HD1 LYS 4 -18.923 6.005 5.873 18 1HE LYS 4 HE2 LYS 4 -16.999 7.628 4.242 19 2HE LYS 4 HE1 LYS 4 -18.694 7.570 3.758 20 1HZ LYS 4 HZ3 LYS 4 -18.501 7.951 6.548 21 2HZ LYS 4 HZ2 LYS 4 -17.561 9.121 5.754 22 3HZ LYS 4 HZ1 LYS 4 -19.211 8.959 5.383 23 H GLU 5 HN GLU 5 -12.774 6.548 6.441 24 HA GLU 5 HA GLU 5 -12.412 8.353 4.078 25 1HB GLU 5 HB2 GLU 5 -12.635 9.168 6.994 26 2HB GLU 5 HB1 GLU 5 -12.275 10.256 5.653 27 1HG GLU 5 HG2 GLU 5 -14.567 8.911 4.818 28 2HG GLU 5 HG1 GLU 5 -14.849 9.202 6.535 29 H LEU 6 HN LEU 6 -10.755 6.162 4.684 30 HA LEU 6 HA LEU 6 -8.467 7.245 6.141 31 1HB LEU 6 HB2 LEU 6 -9.281 4.887 6.405 32 2HB LEU 6 HB1 LEU 6 -8.794 4.581 4.748 33 HG LEU 6 HG LEU 6 -6.463 5.133 5.328 34 1HD1 LEU 6 HD12 LEU 6 -7.763 5.832 7.920 35 2HD1 LEU 6 HD11 LEU 6 -6.155 5.109 7.973 36 3HD1 LEU 6 HD13 LEU 6 -6.417 6.616 7.094 37 1HD2 LEU 6 HD23 LEU 6 -8.018 2.996 6.695 38 2HD2 LEU 6 HD22 LEU 6 -6.694 2.860 5.543 39 3HD2 LEU 6 HD21 LEU 6 -6.360 3.244 7.234 40 H LYS 7 HN LYS 7 -6.736 8.179 5.102 41 HA LYS 7 HA LYS 7 -6.939 8.669 2.250 42 1HB LYS 7 HB2 LYS 7 -5.060 9.459 4.441 43 2HB LYS 7 HB1 LYS 7 -4.554 9.677 2.768 44 1HG LYS 7 HG2 LYS 7 -6.139 11.293 2.349 45 2HG LYS 7 HG1 LYS 7 -7.295 10.605 3.490 46 1HD LYS 7 HD2 LYS 7 -5.938 11.420 5.377 47 2HD LYS 7 HD1 LYS 7 -4.762 12.095 4.248 48 1HE LYS 7 HE2 LYS 7 -7.677 12.871 4.134 49 2HE LYS 7 HE1 LYS 7 -6.543 13.704 5.197 50 1HZ LYS 7 HZ3 LYS 7 -5.588 13.344 2.503 51 2HZ LYS 7 HZ2 LYS 7 -6.972 14.324 2.613 52 3HZ LYS 7 HZ1 LYS 7 -5.571 14.727 3.485 53 H PHE 8 HN PHE 8 -6.133 7.451 0.646 54 HA PHE 8 HA PHE 8 -4.031 5.442 1.279 55 1HB PHE 8 HB2 PHE 8 -6.089 5.569 -0.936 56 2HB PHE 8 HB1 PHE 8 -4.792 4.388 -0.873 57 HD1 PHE 8 HD2 PHE 8 -7.709 5.694 0.981 58 HD2 PHE 8 HD1 PHE 8 -4.973 2.442 0.477 59 HE1 PHE 8 HE2 PHE 8 -9.060 4.313 2.509 60 HE2 PHE 8 HE1 PHE 8 -6.342 1.051 2.021 61 HZ PHE 8 HZ PHE 8 -8.387 1.990 3.038 62 H LEU 9 HN LEU 9 -2.260 5.267 -0.203 63 HA LEU 9 HA LEU 9 -2.016 7.488 -2.191 64 1HB LEU 9 HB2 LEU 9 -0.673 8.213 -0.336 65 2HB LEU 9 HB1 LEU 9 0.048 6.621 -0.150 66 HG LEU 9 HG LEU 9 1.174 6.830 -2.304 67 1HD1 LEU 9 HD12 LEU 9 -0.537 9.288 -2.488 68 2HD1 LEU 9 HD11 LEU 9 0.995 9.224 -3.357 69 3HD1 LEU 9 HD13 LEU 9 -0.261 8.033 -3.697 70 1HD2 LEU 9 HD22 LEU 9 1.513 8.905 -0.212 71 2HD2 LEU 9 HD21 LEU 9 2.673 7.749 -0.865 72 3HD2 LEU 9 HD23 LEU 9 2.303 9.221 -1.755 73 H VAL 10 HN VAL 10 -2.154 6.323 -4.061 74 HA VAL 10 HA VAL 10 -0.863 3.669 -4.209 75 HB VAL 10 HB VAL 10 -1.906 3.866 -6.616 76 1HG1 VAL 10 HG11 VAL 10 -3.280 3.458 -3.974 77 2HG1 VAL 10 HG13 VAL 10 -4.214 3.361 -5.467 78 3HG1 VAL 10 HG12 VAL 10 -2.858 2.264 -5.202 79 1HG2 VAL 10 HG23 VAL 10 -2.356 6.335 -6.290 80 2HG2 VAL 10 HG22 VAL 10 -3.769 5.395 -6.767 81 3HG2 VAL 10 HG21 VAL 10 -3.564 5.887 -5.087 82 H VAL 11 HN VAL 11 1.319 3.870 -4.529 83 HA VAL 11 HA VAL 11 2.330 5.886 -6.403 84 HB VAL 11 HB VAL 11 3.802 3.938 -4.613 85 1HG1 VAL 11 HG12 VAL 11 4.652 5.837 -6.702 86 2HG1 VAL 11 HG11 VAL 11 5.498 6.025 -5.166 87 3HG1 VAL 11 HG13 VAL 11 5.520 4.472 -6.001 88 1HG2 VAL 11 HG21 VAL 11 2.506 6.498 -4.152 89 2HG2 VAL 11 HG23 VAL 11 3.222 5.390 -2.982 90 3HG2 VAL 11 HG22 VAL 11 4.229 6.586 -3.799 91 H ASP 12 HN ASP 12 1.585 4.921 -8.387 92 HA ASP 12 HA ASP 12 3.334 2.723 -9.312 93 1HB ASP 12 HB2 ASP 12 0.326 2.571 -9.139 94 2HB ASP 12 HB1 ASP 12 1.213 1.643 -10.349 95 H ASP 13 HN ASP 13 3.351 2.566 -11.670 96 HA ASP 13 HA ASP 13 2.498 5.119 -12.975 97 1HB ASP 13 HB2 ASP 13 4.797 3.232 -13.415 98 2HB ASP 13 HB1 ASP 13 4.235 4.256 -14.737 99 H PHE 14 HN PHE 14 1.885 1.760 -12.855 100 HA PHE 14 HA PHE 14 1.249 1.019 -15.462 101 1HB PHE 14 HB2 PHE 14 0.257 0.296 -12.780 102 2HB PHE 14 HB1 PHE 14 -0.888 -0.013 -14.086 103 HD1 PHE 14 HD2 PHE 14 2.854 -0.131 -14.041 104 HD2 PHE 14 HD1 PHE 14 -0.810 -2.318 -14.528 105 HE1 PHE 14 HE2 PHE 14 4.143 -2.146 -14.695 106 HE2 PHE 14 HE1 PHE 14 0.478 -4.334 -15.181 107 HZ PHE 14 HZ PHE 14 2.955 -4.248 -15.266 108 H SER 15 HN SER 15 -0.327 1.581 -16.930 109 HA SER 15 HA SER 15 -1.986 3.926 -16.283 110 1HB SER 15 HB2 SER 15 -0.875 3.875 -18.454 111 2HB SER 15 HB1 SER 15 -1.633 2.333 -18.841 112 HG SER 15 HG SER 15 -2.871 3.910 -19.774 113 H THR 16 HN THR 16 -2.575 1.315 -15.002 114 HA THR 16 HA THR 16 -5.450 1.290 -15.563 115 HB THR 16 HB THR 16 -4.914 -0.285 -17.247 116 HG1 THR 16 HG1 THR 16 -5.802 -1.242 -14.838 117 1HG2 THR 16 HG23 THR 16 -2.838 -1.237 -15.280 118 2HG2 THR 16 HG22 THR 16 -3.343 -2.243 -16.638 119 3HG2 THR 16 HG21 THR 16 -2.606 -0.669 -16.933 120 H MET 17 HN MET 17 -2.667 0.297 -13.718 121 HA MET 17 HA MET 17 -4.040 -1.221 -11.701 122 1HB MET 17 HB2 MET 17 -1.526 -1.123 -12.089 123 2HB MET 17 HB1 MET 17 -1.549 0.448 -11.289 124 1HG MET 17 HG2 MET 17 -2.577 -0.604 -9.290 125 2HG MET 17 HG1 MET 17 -2.482 -2.174 -10.086 126 1HE MET 17 HE1 MET 17 -1.486 -2.556 -7.711 127 2HE MET 17 HE3 MET 17 0.200 -2.252 -7.268 128 3HE MET 17 HE2 MET 17 -0.986 -0.953 -7.179 129 NH1 ARG 18 NH2 ARG 18 -3.104 8.743 -13.321 130 NH2 ARG 18 NH1 ARG 18 -5.168 9.646 -13.131 131 H ARG 18 HN ARG 18 -2.776 2.133 -11.517 132 HA ARG 18 HA ARG 18 -3.981 2.903 -9.126 133 1HB ARG 18 HB2 ARG 18 -3.172 4.923 -9.698 134 2HB ARG 18 HB1 ARG 18 -2.678 4.211 -11.223 135 1HG ARG 18 HG2 ARG 18 -4.893 4.831 -12.197 136 2HG ARG 18 HG1 ARG 18 -5.304 5.633 -10.673 137 1HD ARG 18 HD2 ARG 18 -3.193 7.005 -10.965 138 2HD ARG 18 HD1 ARG 18 -3.081 6.341 -12.595 139 HE ARG 18 HE ARG 18 -5.701 7.464 -12.105 140 1HH1 ARG 18 HH21 ARG 18 -2.470 7.989 -13.148 141 2HH1 ARG 18 HH22 ARG 18 -2.791 9.557 -13.811 142 1HH2 ARG 18 HH11 ARG 18 -6.114 9.584 -12.814 143 2HH2 ARG 18 HH12 ARG 18 -4.857 10.460 -13.622 144 NH1 ARG 19 NH1 ARG 19 -8.988 0.184 -16.318 145 NH2 ARG 19 NH2 ARG 19 -8.686 1.601 -18.053 146 H ARG 19 HN ARG 19 -5.435 2.618 -12.318 147 HA ARG 19 HA ARG 19 -7.867 3.903 -11.542 148 1HB ARG 19 HB2 ARG 19 -6.956 3.468 -13.927 149 2HB ARG 19 HB1 ARG 19 -7.680 1.868 -13.759 150 1HG ARG 19 HG2 ARG 19 -9.754 3.387 -12.925 151 2HG ARG 19 HG1 ARG 19 -8.992 4.518 -14.045 152 1HD ARG 19 HD2 ARG 19 -10.147 1.797 -14.607 153 2HD ARG 19 HD1 ARG 19 -10.438 3.318 -15.449 154 HE ARG 19 HE ARG 19 -7.784 2.907 -15.943 155 1HH1 ARG 19 HH11 ARG 19 -9.045 0.021 -15.334 156 2HH1 ARG 19 HH12 ARG 19 -9.104 -0.575 -16.960 157 1HH2 ARG 19 HH21 ARG 19 -8.512 2.524 -18.398 158 2HH2 ARG 19 HH22 ARG 19 -8.802 0.842 -18.693 159 H ILE 20 HN ILE 20 -6.821 0.520 -11.666 160 HA ILE 20 HA ILE 20 -9.345 -0.669 -11.064 161 HB ILE 20 HB ILE 20 -6.481 -1.507 -10.861 162 1HG1 ILE 20 HG12 ILE 20 -8.891 -2.924 -12.022 163 2HG1 ILE 20 HG11 ILE 20 -7.982 -1.704 -12.916 164 1HG2 ILE 20 HG23 ILE 20 -8.794 -2.824 -9.427 165 2HG2 ILE 20 HG22 ILE 20 -7.396 -3.751 -9.966 166 3HG2 ILE 20 HG21 ILE 20 -7.188 -2.446 -8.799 167 1HD1 ILE 20 HD11 ILE 20 -5.909 -3.039 -12.569 168 2HD1 ILE 20 HD13 ILE 20 -6.871 -4.283 -11.771 169 3HD1 ILE 20 HD12 ILE 20 -7.132 -3.926 -13.479 170 H VAL 21 HN VAL 21 -6.622 0.117 -8.865 171 HA VAL 21 HA VAL 21 -8.036 -0.567 -6.486 172 HB VAL 21 HB VAL 21 -6.237 1.428 -5.740 173 1HG1 VAL 21 HG13 VAL 21 -5.930 -1.564 -6.106 174 2HG1 VAL 21 HG12 VAL 21 -4.760 -0.565 -5.244 175 3HG1 VAL 21 HG11 VAL 21 -6.410 -0.712 -4.639 176 1HG2 VAL 21 HG21 VAL 21 -5.579 1.486 -8.187 177 2HG2 VAL 21 HG23 VAL 21 -4.263 1.082 -7.084 178 3HG2 VAL 21 HG22 VAL 21 -5.055 -0.189 -8.015 179 NH1 ARG 22 NH2 ARG 22 -10.893 8.974 -6.979 180 NH2 ARG 22 NH1 ARG 22 -11.607 8.748 -9.111 181 H ARG 22 HN ARG 22 -7.919 2.406 -8.369 182 HA ARG 22 HA ARG 22 -8.960 4.260 -6.536 183 1HB ARG 22 HB2 ARG 22 -8.925 3.945 -9.458 184 2HB ARG 22 HB1 ARG 22 -10.300 4.877 -8.871 185 1HG ARG 22 HG2 ARG 22 -7.490 5.439 -7.911 186 2HG ARG 22 HG1 ARG 22 -8.123 6.171 -9.385 187 1HD ARG 22 HD2 ARG 22 -9.953 6.352 -7.084 188 2HD ARG 22 HD1 ARG 22 -8.435 7.225 -6.867 189 HE ARG 22 HE ARG 22 -9.111 8.117 -9.304 190 1HH1 ARG 22 HH21 ARG 22 -10.201 8.814 -6.276 191 2HH1 ARG 22 HH22 ARG 22 -11.732 9.469 -6.751 192 1HH2 ARG 22 HH11 ARG 22 -11.461 8.413 -10.043 193 2HH2 ARG 22 HH12 ARG 22 -12.446 9.243 -8.884 194 H ASN 23 HN ASN 23 -10.859 2.198 -8.762 195 HA ASN 23 HA ASN 23 -13.402 2.864 -7.614 196 1HB ASN 23 HB2 ASN 23 -12.393 1.502 -9.813 197 2HB ASN 23 HB1 ASN 23 -13.163 0.257 -8.868 198 1HD2 ASN 23 HD22 ASN 23 -16.463 1.714 -9.183 199 2HD2 ASN 23 HD21 ASN 23 -15.497 0.828 -8.104 200 H LEU 24 HN LEU 24 -11.384 -0.039 -7.484 201 HA LEU 24 HA LEU 24 -12.757 -1.712 -5.812 202 1HB LEU 24 HB2 LEU 24 -10.321 -1.770 -6.809 203 2HB LEU 24 HB1 LEU 24 -9.878 -1.132 -5.241 204 HG LEU 24 HG LEU 24 -11.635 -3.374 -4.819 205 1HD1 LEU 24 HD11 LEU 24 -9.351 -3.876 -6.748 206 2HD1 LEU 24 HD13 LEU 24 -10.199 -5.145 -5.871 207 3HD1 LEU 24 HD12 LEU 24 -11.067 -4.155 -7.042 208 1HD2 LEU 24 HD21 LEU 24 -8.754 -2.722 -4.224 209 2HD2 LEU 24 HD23 LEU 24 -10.088 -3.018 -3.112 210 3HD2 LEU 24 HD22 LEU 24 -9.339 -4.358 -3.974 211 H LEU 25 HN LEU 25 -10.594 0.899 -4.660 212 HA LEU 25 HA LEU 25 -11.175 0.611 -1.881 213 1HB LEU 25 HB2 LEU 25 -10.131 2.817 -3.620 214 2HB LEU 25 HB1 LEU 25 -10.613 3.201 -1.973 215 HG LEU 25 HG LEU 25 -8.875 0.810 -2.422 216 1HD1 LEU 25 HD13 LEU 25 -7.904 3.683 -2.362 217 2HD1 LEU 25 HD12 LEU 25 -6.870 2.258 -2.278 218 3HD1 LEU 25 HD11 LEU 25 -7.798 2.588 -3.740 219 1HD2 LEU 25 HD23 LEU 25 -9.875 1.523 -0.184 220 2HD2 LEU 25 HD22 LEU 25 -8.126 1.320 -0.201 221 3HD2 LEU 25 HD21 LEU 25 -8.826 2.937 -0.265 222 H LYS 26 HN LYS 26 -12.570 2.937 -4.233 223 HA LYS 26 HA LYS 26 -14.501 4.043 -2.540 224 1HB LYS 26 HB2 LYS 26 -13.899 4.425 -5.129 225 2HB LYS 26 HB1 LYS 26 -15.350 3.444 -5.330 226 1HG LYS 26 HG2 LYS 26 -16.578 4.992 -3.820 227 2HG LYS 26 HG1 LYS 26 -15.134 5.998 -3.710 228 1HD LYS 26 HD2 LYS 26 -15.213 6.106 -6.277 229 2HD LYS 26 HD1 LYS 26 -16.849 5.460 -6.136 230 1HE LYS 26 HE2 LYS 26 -15.785 8.127 -5.306 231 2HE LYS 26 HE1 LYS 26 -17.328 7.719 -6.058 232 1HZ LYS 26 HZ1 LYS 26 -17.640 6.466 -3.779 233 2HZ LYS 26 HZ3 LYS 26 -16.553 7.651 -3.241 234 3HZ LYS 26 HZ2 LYS 26 -18.027 8.111 -3.952 235 H GLU 27 HN GLU 27 -14.475 0.929 -4.171 236 HA GLU 27 HA GLU 27 -17.176 0.210 -3.965 237 1HB GLU 27 HB2 GLU 27 -15.019 -1.077 -4.873 238 2HB GLU 27 HB1 GLU 27 -15.116 -1.844 -3.287 239 1HG GLU 27 HG2 GLU 27 -17.312 -1.732 -5.375 240 2HG GLU 27 HG1 GLU 27 -16.410 -3.162 -4.870 241 H LEU 28 HN LEU 28 -14.673 0.339 -1.501 242 HA LEU 28 HA LEU 28 -16.436 -0.918 0.502 243 1HB LEU 28 HB2 LEU 28 -13.587 0.001 0.431 244 2HB LEU 28 HB1 LEU 28 -14.386 -0.164 1.995 245 HG LEU 28 HG LEU 28 -14.980 -2.493 1.455 246 1HD1 LEU 28 HD12 LEU 28 -13.728 -1.722 -1.165 247 2HD1 LEU 28 HD11 LEU 28 -13.650 -3.400 -0.627 248 3HD1 LEU 28 HD13 LEU 28 -15.215 -2.622 -0.864 249 1HD2 LEU 28 HD21 LEU 28 -12.823 -2.014 2.574 250 2HD2 LEU 28 HD23 LEU 28 -12.698 -3.427 1.527 251 3HD2 LEU 28 HD22 LEU 28 -12.042 -1.878 1.000 252 H GLY 29 HN GLY 29 -14.635 2.164 0.360 253 1HA GLY 29 HA2 GLY 29 -16.667 3.975 0.746 254 2HA GLY 29 HA1 GLY 29 -16.341 3.349 2.356 255 H PHE 30 HN PHE 30 -14.619 4.768 -0.444 256 HA PHE 30 HA PHE 30 -13.080 6.402 1.472 257 1HB PHE 30 HB2 PHE 30 -11.779 4.417 -0.411 258 2HB PHE 30 HB1 PHE 30 -10.906 5.721 0.387 259 HD1 PHE 30 HD1 PHE 30 -11.357 5.907 2.988 260 HD2 PHE 30 HD2 PHE 30 -11.890 2.340 0.656 261 HE1 PHE 30 HE1 PHE 30 -11.123 4.533 5.024 262 HE2 PHE 30 HE2 PHE 30 -11.670 0.964 2.711 263 HZ PHE 30 HZ PHE 30 -11.285 2.065 4.899 264 H ASN 31 HN ASN 31 -12.657 8.415 0.610 265 HA ASN 31 HA ASN 31 -12.868 8.757 -2.343 266 1HB ASN 31 HB2 ASN 31 -14.042 11.025 -1.449 267 2HB ASN 31 HB1 ASN 31 -14.947 9.573 -1.860 268 1HD2 ASN 31 HD22 ASN 31 -14.658 10.742 2.031 269 2HD2 ASN 31 HD21 ASN 31 -13.804 11.563 0.815 270 H ASN 32 HN ASN 32 -10.579 8.787 -0.334 271 HA ASN 32 HA ASN 32 -9.492 11.449 -1.151 272 1HB ASN 32 HB2 ASN 32 -10.328 11.320 1.317 273 2HB ASN 32 HB1 ASN 32 -8.900 10.318 1.578 274 1HD2 ASN 32 HD22 ASN 32 -8.125 14.030 2.022 275 2HD2 ASN 32 HD21 ASN 32 -9.393 13.075 2.625 276 H VAL 33 HN VAL 33 -8.171 10.438 -2.714 277 HA VAL 33 HA VAL 33 -5.914 8.843 -1.587 278 HB VAL 33 HB VAL 33 -7.419 8.172 -4.136 279 1HG1 VAL 33 HG13 VAL 33 -4.822 7.421 -3.112 280 2HG1 VAL 33 HG12 VAL 33 -5.860 6.006 -3.238 281 3HG1 VAL 33 HG11 VAL 33 -5.567 7.014 -4.654 282 1HG2 VAL 33 HG23 VAL 33 -7.666 7.231 -1.322 283 2HG2 VAL 33 HG22 VAL 33 -8.895 7.357 -2.576 284 3HG2 VAL 33 HG21 VAL 33 -7.760 6.008 -2.585 285 H GLU 34 HN GLU 34 -3.948 9.011 -2.833 286 HA GLU 34 HA GLU 34 -3.968 11.102 -4.970 287 1HB GLU 34 HB2 GLU 34 -2.312 10.932 -2.484 288 2HB GLU 34 HB1 GLU 34 -1.491 11.447 -3.954 289 1HG GLU 34 HG2 GLU 34 -3.480 13.125 -4.212 290 2HG GLU 34 HG1 GLU 34 -3.775 12.785 -2.507 291 H GLU 35 HN GLU 35 -1.399 10.915 -5.850 292 HA GLU 35 HA GLU 35 -0.763 8.049 -6.177 293 1HB GLU 35 HB2 GLU 35 -2.474 8.616 -7.922 294 2HB GLU 35 HB1 GLU 35 -1.353 9.815 -8.567 295 1HG GLU 35 HG2 GLU 35 0.082 7.366 -8.253 296 2HG GLU 35 HG1 GLU 35 -1.426 7.005 -9.092 297 H ALA 36 HN ALA 36 1.365 7.683 -6.842 298 HA ALA 36 HA ALA 36 3.080 10.079 -7.342 299 1HB ALA 36 HB3 ALA 36 3.069 8.607 -4.957 300 2HB ALA 36 HB2 ALA 36 4.468 8.012 -5.848 301 3HB ALA 36 HB1 ALA 36 4.315 9.731 -5.489 302 H GLU 37 HN GLU 37 5.492 8.724 -7.654 303 HA GLU 37 HA GLU 37 4.913 6.640 -9.716 304 1HB GLU 37 HB2 GLU 37 6.260 7.699 -11.358 305 2HB GLU 37 HB1 GLU 37 5.233 8.979 -10.710 306 1HG GLU 37 HG2 GLU 37 7.166 9.419 -9.050 307 2HG GLU 37 HG1 GLU 37 8.149 8.454 -10.150 308 H ASP 38 HN ASP 38 6.592 7.360 -6.948 309 HA ASP 38 HA ASP 38 8.238 5.025 -7.143 310 1HB ASP 38 HB2 ASP 38 9.689 6.158 -8.633 311 2HB ASP 38 HB1 ASP 38 9.557 7.673 -7.741 312 H GLY 39 HN GLY 39 9.724 4.855 -5.209 313 1HA GLY 39 HA2 GLY 39 8.398 5.605 -2.824 314 2HA GLY 39 HA1 GLY 39 10.083 5.088 -2.893 315 H VAL 40 HN VAL 40 11.067 7.193 -4.562 316 HA VAL 40 HA VAL 40 11.588 9.222 -2.629 317 HB VAL 40 HB VAL 40 11.784 9.299 -5.656 318 1HG1 VAL 40 HG12 VAL 40 12.321 11.329 -3.552 319 2HG1 VAL 40 HG11 VAL 40 13.560 11.149 -4.793 320 3HG1 VAL 40 HG13 VAL 40 11.905 11.552 -5.251 321 1HG2 VAL 40 HG22 VAL 40 13.268 7.899 -3.743 322 2HG2 VAL 40 HG21 VAL 40 13.767 8.243 -5.399 323 3HG2 VAL 40 HG23 VAL 40 14.246 9.325 -4.092 324 H ASP 41 HN ASP 41 9.228 8.999 -5.257 325 HA ASP 41 HA ASP 41 8.141 11.641 -4.925 326 1HB ASP 41 HB2 ASP 41 7.839 9.962 -6.878 327 2HB ASP 41 HB1 ASP 41 6.572 9.253 -5.884 328 H ALA 42 HN ALA 42 7.087 8.430 -3.763 329 HA ALA 42 HA ALA 42 4.845 9.273 -2.268 330 1HB ALA 42 HB2 ALA 42 6.231 6.880 -2.607 331 2HB ALA 42 HB1 ALA 42 6.415 7.231 -0.888 332 3HB ALA 42 HB3 ALA 42 4.805 7.111 -1.594 333 H LEU 43 HN LEU 43 8.175 8.748 -1.067 334 HA LEU 43 HA LEU 43 7.995 9.630 1.530 335 1HB LEU 43 HB2 LEU 43 10.078 9.241 -0.281 336 2HB LEU 43 HB1 LEU 43 10.255 10.926 0.212 337 HG LEU 43 HG LEU 43 10.017 10.124 2.616 338 1HD1 LEU 43 HD12 LEU 43 9.347 7.723 1.345 339 2HD1 LEU 43 HD11 LEU 43 10.970 7.447 1.978 340 3HD1 LEU 43 HD13 LEU 43 9.671 7.940 3.064 341 1HD2 LEU 43 HD22 LEU 43 12.279 9.749 0.759 342 2HD2 LEU 43 HD21 LEU 43 12.228 10.579 2.314 343 3HD2 LEU 43 HD23 LEU 43 12.413 8.827 2.256 344 H ASN 44 HN ASN 44 8.280 11.749 -1.334 345 HA ASN 44 HA ASN 44 8.120 14.186 0.219 346 1HB ASN 44 HB2 ASN 44 7.820 13.521 -2.704 347 2HB ASN 44 HB1 ASN 44 7.467 15.143 -2.110 348 1HD2 ASN 44 HD21 ASN 44 9.877 13.652 -3.638 349 2HD2 ASN 44 HD22 ASN 44 11.231 14.358 -2.898 350 H LYS 45 HN LYS 45 5.761 12.151 -1.453 351 HA LYS 45 HA LYS 45 3.568 13.995 -0.740 352 1HB LYS 45 HB2 LYS 45 3.596 11.339 -2.201 353 2HB LYS 45 HB1 LYS 45 2.145 12.303 -1.921 354 1HG LYS 45 HG2 LYS 45 3.379 14.232 -3.062 355 2HG LYS 45 HG1 LYS 45 4.568 13.034 -3.576 356 1HD LYS 45 HD2 LYS 45 2.702 11.707 -4.603 357 2HD LYS 45 HD1 LYS 45 1.604 13.031 -4.211 358 1HE LYS 45 HE2 LYS 45 3.733 14.303 -5.468 359 2HE LYS 45 HE1 LYS 45 3.541 12.812 -6.390 360 1HZ LYS 45 HZ2 LYS 45 1.231 14.517 -5.680 361 2HZ LYS 45 HZ1 LYS 45 2.143 14.789 -7.087 362 3HZ LYS 45 HZ3 LYS 45 1.329 13.316 -6.879 363 H LEU 46 HN LEU 46 5.268 11.810 0.997 364 HA LEU 46 HA LEU 46 2.952 10.486 2.271 365 1HB LEU 46 HB2 LEU 46 5.721 9.883 1.991 366 2HB LEU 46 HB1 LEU 46 5.418 10.098 3.710 367 HG LEU 46 HG LEU 46 5.077 7.748 3.043 368 1HD1 LEU 46 HD13 LEU 46 3.439 9.242 4.619 369 2HD1 LEU 46 HD12 LEU 46 2.282 8.599 3.458 370 3HD1 LEU 46 HD11 LEU 46 3.275 7.499 4.408 371 1HD2 LEU 46 HD22 LEU 46 3.838 8.945 0.770 372 2HD2 LEU 46 HD21 LEU 46 4.088 7.228 1.086 373 3HD2 LEU 46 HD23 LEU 46 2.602 8.012 1.617 374 H GLN 47 HN GLN 47 5.731 12.379 3.519 375 HA GLN 47 HA GLN 47 4.554 12.998 6.018 376 1HB GLN 47 HB2 GLN 47 6.521 14.587 4.343 377 2HB GLN 47 HB1 GLN 47 6.126 14.961 6.021 378 1HG GLN 47 HG2 GLN 47 7.551 13.385 6.753 379 2HG GLN 47 HG1 GLN 47 6.734 12.156 5.785 380 1HE2 GLN 47 HE22 GLN 47 9.505 11.920 3.642 381 2HE2 GLN 47 HE21 GLN 47 8.248 11.136 4.472 382 H ALA 48 HN ALA 48 3.569 13.905 2.941 383 HA ALA 48 HA ALA 48 2.730 16.534 3.041 384 1HB ALA 48 HB2 ALA 48 1.644 14.064 1.803 385 2HB ALA 48 HB1 ALA 48 0.532 15.427 1.919 386 3HB ALA 48 HB3 ALA 48 2.060 15.607 1.056 387 H GLY 49 HN GLY 49 0.278 14.051 3.707 388 1HA GLY 49 HA2 GLY 49 -0.630 15.690 6.050 389 2HA GLY 49 HA1 GLY 49 -1.756 14.920 4.934 390 H GLY 50 HN GLY 50 0.805 12.852 5.219 391 1HA GLY 50 HA2 GLY 50 1.245 10.980 6.602 392 2HA GLY 50 HA1 GLY 50 0.079 11.609 7.766 393 OH TYR 51 OH TYR 51 -2.035 12.444 -0.678 394 H TYR 51 HN TYR 51 0.308 9.994 4.618 395 HA TYR 51 HA TYR 51 -2.469 9.363 4.392 396 1HB TYR 51 HB2 TYR 51 0.037 8.182 3.211 397 2HB TYR 51 HB1 TYR 51 -1.545 7.493 2.877 398 HD1 TYR 51 HD2 TYR 51 0.417 10.663 2.724 399 HD2 TYR 51 HD1 TYR 51 -3.010 8.486 1.337 400 HE1 TYR 51 HE2 TYR 51 -0.039 12.436 1.049 401 HE2 TYR 51 HE1 TYR 51 -3.464 10.252 -0.338 402 HH TYR 51 HH TYR 51 -2.515 13.149 -0.238 403 H GLY 52 HN GLY 52 -3.506 8.241 5.962 404 1HA GLY 52 HA2 GLY 52 -2.276 6.443 7.785 405 2HA GLY 52 HA1 GLY 52 -4.000 6.499 7.451 406 H PHE 53 HN PHE 53 -2.625 6.089 4.501 407 HA PHE 53 HA PHE 53 -2.074 3.213 4.709 408 1HB PHE 53 HB2 PHE 53 -4.709 4.020 4.385 409 2HB PHE 53 HB1 PHE 53 -4.188 3.641 2.750 410 HD1 PHE 53 HD2 PHE 53 -4.530 2.316 6.184 411 HD2 PHE 53 HD1 PHE 53 -3.718 1.366 2.089 412 HE1 PHE 53 HE2 PHE 53 -4.808 -0.079 6.690 413 HE2 PHE 53 HE1 PHE 53 -4.003 -1.030 2.581 414 HZ PHE 53 HZ PHE 53 -4.536 -1.769 4.892 415 H VAL 54 HN VAL 54 -0.837 2.526 2.972 416 HA VAL 54 HA VAL 54 -0.702 4.285 0.575 417 HB VAL 54 HB VAL 54 1.753 3.367 2.068 418 1HG1 VAL 54 HG13 VAL 54 1.349 4.230 -0.586 419 2HG1 VAL 54 HG12 VAL 54 2.103 5.579 0.262 420 3HG1 VAL 54 HG11 VAL 54 2.890 4.000 0.239 421 1HG2 VAL 54 HG23 VAL 54 0.252 5.978 2.081 422 2HG2 VAL 54 HG22 VAL 54 0.813 5.034 3.459 423 3HG2 VAL 54 HG21 VAL 54 1.973 5.908 2.458 424 H ILE 55 HN ILE 55 -0.852 3.058 -1.178 425 HA ILE 55 HA ILE 55 -0.201 0.148 -0.985 426 HB ILE 55 HB ILE 55 -1.887 1.694 -2.988 427 1HG1 ILE 55 HG12 ILE 55 -2.806 -0.325 -0.935 428 2HG1 ILE 55 HG11 ILE 55 -2.725 1.399 -0.573 429 1HG2 ILE 55 HG22 ILE 55 -0.676 -0.898 -3.135 430 2HG2 ILE 55 HG21 ILE 55 -2.418 -1.105 -2.970 431 3HG2 ILE 55 HG23 ILE 55 -1.767 -0.134 -4.289 432 1HD1 ILE 55 HD12 ILE 55 -4.218 0.290 -2.962 433 2HD1 ILE 55 HD11 ILE 55 -4.983 0.577 -1.399 434 3HD1 ILE 55 HD13 ILE 55 -4.300 1.925 -2.306 435 H SER 56 HN SER 56 1.639 -0.512 -2.020 436 HA SER 56 HA SER 56 2.640 1.099 -4.334 437 1HB SER 56 HB2 SER 56 4.886 1.001 -3.522 438 2HB SER 56 HB1 SER 56 3.905 1.547 -2.164 439 HG SER 56 HG SER 56 5.204 -0.882 -2.602 440 H ASP 57 HN ASP 57 4.310 -0.230 -5.604 441 HA ASP 57 HA ASP 57 3.211 -2.964 -5.913 442 1HB ASP 57 HB2 ASP 57 3.398 -1.559 -7.923 443 2HB ASP 57 HB1 ASP 57 5.132 -1.392 -7.652 444 CH2 TRP 58 CH2 TRP 58 9.810 -6.323 -1.091 445 H TRP 58 HN TRP 58 6.346 -2.682 -7.143 446 HA TRP 58 HA TRP 58 7.814 -3.504 -4.764 447 1HB TRP 58 HB2 TRP 58 6.423 -5.543 -5.456 448 2HB TRP 58 HB1 TRP 58 7.412 -5.599 -6.911 449 HD1 TRP 58 HD1 TRP 58 9.383 -7.156 -6.718 450 HE1 TRP 58 HE1 TRP 58 10.885 -8.031 -4.816 451 HE3 TRP 58 HE3 TRP 58 7.382 -4.608 -2.760 452 HZ2 TRP 58 HZ2 TRP 58 11.196 -7.703 -1.995 453 HZ3 TRP 58 HZ3 TRP 58 8.307 -4.910 -0.482 454 HH2 TRP 58 HH2 TRP 58 10.207 -6.448 -0.094 455 H ASN 59 HN ASN 59 7.826 -3.954 -8.323 456 HA ASN 59 HA ASN 59 10.707 -3.365 -8.409 457 1HB ASN 59 HB2 ASN 59 9.585 -5.059 -9.917 458 2HB ASN 59 HB1 ASN 59 8.786 -3.712 -10.728 459 1HD2 ASN 59 HD22 ASN 59 12.879 -3.531 -10.976 460 2HD2 ASN 59 HD21 ASN 59 12.139 -3.752 -9.464 461 H MET 60 HN MET 60 10.198 -1.160 -7.402 462 HA MET 60 HA MET 60 9.057 0.791 -9.292 463 1HB MET 60 HB2 MET 60 10.233 1.266 -6.538 464 2HB MET 60 HB1 MET 60 9.179 2.356 -7.431 465 1HG MET 60 HG2 MET 60 8.425 -0.403 -6.429 466 2HG MET 60 HG1 MET 60 7.898 1.127 -5.729 467 1HE MET 60 HE2 MET 60 6.946 2.987 -7.128 468 2HE MET 60 HE1 MET 60 5.490 2.678 -8.068 469 3HE MET 60 HE3 MET 60 5.584 2.159 -6.379 470 HA PRO 61 HA PRO 61 12.989 2.047 -10.944 471 1HB PRO 61 HB2 PRO 61 12.501 4.877 -10.724 472 2HB PRO 61 HB1 PRO 61 12.409 3.865 -12.173 473 1HG PRO 61 HG2 PRO 61 10.221 4.996 -10.642 474 2HG PRO 61 HG1 PRO 61 10.141 4.068 -12.146 475 1HD PRO 61 HD2 PRO 61 9.348 3.191 -9.559 476 2HD PRO 61 HD1 PRO 61 9.451 2.214 -11.036 477 H ASN 62 HN ASN 62 14.782 3.843 -10.318 478 HA ASN 62 HA ASN 62 16.351 4.402 -8.657 479 1HB ASN 62 HB2 ASN 62 13.787 5.057 -7.170 480 2HB ASN 62 HB1 ASN 62 15.398 5.621 -6.725 481 1HD2 ASN 62 HD22 ASN 62 13.388 7.879 -9.232 482 2HD2 ASN 62 HD21 ASN 62 12.731 6.854 -8.048 483 H MET 63 HN MET 63 14.302 3.807 -5.980 484 HA MET 63 HA MET 63 15.790 1.280 -5.402 485 1HB MET 63 HB2 MET 63 14.395 3.239 -3.555 486 2HB MET 63 HB1 MET 63 15.173 1.746 -3.030 487 1HG MET 63 HG2 MET 63 17.314 2.561 -4.034 488 2HG MET 63 HG1 MET 63 16.516 4.090 -4.407 489 1HE MET 63 HE1 MET 63 17.691 1.584 -1.932 490 2HE MET 63 HE3 MET 63 19.008 2.759 -2.059 491 3HE MET 63 HE2 MET 63 18.175 2.526 -0.524 492 H ASP 64 HN ASP 64 14.527 -0.418 -4.258 493 HA ASP 64 HA ASP 64 11.986 -0.886 -5.579 494 1HB ASP 64 HB2 ASP 64 11.930 -2.932 -4.125 495 2HB ASP 64 HB1 ASP 64 13.424 -2.775 -5.050 496 H GLY 65 HN GLY 65 10.130 -1.748 -3.960 497 1HA GLY 65 HA2 GLY 65 9.404 0.607 -2.368 498 2HA GLY 65 HA1 GLY 65 8.377 -0.794 -2.657 499 H LEU 66 HN LEU 66 11.433 -1.817 -1.703 500 HA LEU 66 HA LEU 66 10.412 -2.695 0.872 501 1HB LEU 66 HB2 LEU 66 12.023 -4.082 -0.403 502 2HB LEU 66 HB1 LEU 66 13.232 -2.807 -0.256 503 HG LEU 66 HG LEU 66 13.197 -3.037 2.198 504 1HD1 LEU 66 HD11 LEU 66 10.939 -4.877 1.528 505 2HD1 LEU 66 HD13 LEU 66 11.947 -5.270 2.920 506 3HD1 LEU 66 HD12 LEU 66 11.089 -3.731 2.862 507 1HD2 LEU 66 HD23 LEU 66 14.086 -5.013 0.324 508 2HD2 LEU 66 HD22 LEU 66 14.795 -4.589 1.883 509 3HD2 LEU 66 HD21 LEU 66 13.552 -5.836 1.790 510 H GLU 67 HN GLU 67 12.705 -0.253 -0.276 511 HA GLU 67 HA GLU 67 13.447 0.643 2.377 512 1HB GLU 67 HB2 GLU 67 14.523 1.063 -0.057 513 2HB GLU 67 HB1 GLU 67 13.555 2.533 0.073 514 1HG GLU 67 HG2 GLU 67 15.668 3.090 1.022 515 2HG GLU 67 HG1 GLU 67 14.594 2.829 2.398 516 H LEU 68 HN LEU 68 10.696 1.018 0.392 517 HA LEU 68 HA LEU 68 9.825 3.606 1.382 518 1HB LEU 68 HB2 LEU 68 8.706 1.419 -0.281 519 2HB LEU 68 HB1 LEU 68 7.524 2.409 0.564 520 HG LEU 68 HG LEU 68 9.748 3.608 -1.101 521 1HD1 LEU 68 HD11 LEU 68 7.609 2.092 -2.122 522 2HD1 LEU 68 HD13 LEU 68 7.088 3.765 -2.278 523 3HD1 LEU 68 HD12 LEU 68 8.600 3.242 -3.015 524 1HD2 LEU 68 HD23 LEU 68 7.906 4.702 0.711 525 2HD2 LEU 68 HD22 LEU 68 8.859 5.589 -0.478 526 3HD2 LEU 68 HD21 LEU 68 7.229 5.047 -0.877 527 H LEU 69 HN LEU 69 8.618 0.278 1.974 528 HA LEU 69 HA LEU 69 7.002 1.035 4.218 529 1HB LEU 69 HB2 LEU 69 6.269 -1.035 3.826 530 2HB LEU 69 HB1 LEU 69 7.628 -1.341 2.763 531 HG LEU 69 HG LEU 69 9.002 -1.970 4.793 532 1HD1 LEU 69 HD11 LEU 69 6.562 -1.049 6.132 533 2HD1 LEU 69 HD13 LEU 69 6.986 -2.694 6.610 534 3HD1 LEU 69 HD12 LEU 69 8.147 -1.388 6.822 535 1HD2 LEU 69 HD23 LEU 69 6.795 -3.433 3.575 536 2HD2 LEU 69 HD22 LEU 69 8.401 -3.997 4.024 537 3HD2 LEU 69 HD21 LEU 69 7.111 -3.993 5.221 538 H LYS 70 HN LYS 70 10.352 -0.086 3.970 539 HA LYS 70 HA LYS 70 10.815 -0.353 6.784 540 1HB LYS 70 HB2 LYS 70 12.358 -1.225 5.026 541 2HB LYS 70 HB1 LYS 70 12.784 0.433 4.610 542 1HG LYS 70 HG2 LYS 70 14.475 -0.512 6.112 543 2HG LYS 70 HG1 LYS 70 13.612 0.790 6.924 544 1HD LYS 70 HD2 LYS 70 12.522 -0.646 8.370 545 2HD LYS 70 HD1 LYS 70 12.548 -1.988 7.226 546 1HE LYS 70 HE2 LYS 70 15.120 -0.943 8.389 547 2HE LYS 70 HE1 LYS 70 14.131 -2.084 9.301 548 1HZ LYS 70 HZ3 LYS 70 14.699 -2.692 6.496 549 2HZ LYS 70 HZ2 LYS 70 15.956 -2.894 7.620 550 3HZ LYS 70 HZ1 LYS 70 14.498 -3.743 7.812 551 H THR 71 HN THR 71 11.470 2.369 4.550 552 HA THR 71 HA THR 71 12.388 4.187 6.542 553 HB THR 71 HB THR 71 11.671 5.960 4.877 554 HG1 THR 71 HG1 THR 71 10.646 3.628 3.678 555 1HG2 THR 71 HG21 THR 71 13.449 3.636 4.291 556 2HG2 THR 71 HG23 THR 71 13.137 4.779 2.985 557 3HG2 THR 71 HG22 THR 71 13.857 5.340 4.493 558 H ILE 72 HN ILE 72 9.119 3.640 5.220 559 HA ILE 72 HA ILE 72 7.838 5.635 6.842 560 HB ILE 72 HB ILE 72 6.703 3.095 5.629 561 1HG1 ILE 72 HG12 ILE 72 6.365 5.877 4.531 562 2HG1 ILE 72 HG11 ILE 72 7.841 4.986 4.176 563 1HG2 ILE 72 HG22 ILE 72 5.542 5.311 7.200 564 2HG2 ILE 72 HG21 ILE 72 4.674 4.926 5.714 565 3HG2 ILE 72 HG23 ILE 72 4.930 3.678 6.933 566 1HD1 ILE 72 HD13 ILE 72 6.390 3.080 3.347 567 2HD1 ILE 72 HD12 ILE 72 5.000 4.148 3.532 568 3HD1 ILE 72 HD11 ILE 72 6.273 4.551 2.385 569 NH1 ARG 73 NH1 ARG 73 9.383 -3.992 11.450 570 NH2 ARG 73 NH2 ARG 73 7.733 -3.685 12.965 571 H ARG 73 HN ARG 73 8.630 2.234 7.358 572 HA ARG 73 HA ARG 73 7.227 2.212 9.954 573 1HB ARG 73 HB2 ARG 73 7.210 0.216 8.434 574 2HB ARG 73 HB1 ARG 73 8.949 0.061 8.685 575 1HG ARG 73 HG2 ARG 73 7.603 0.312 11.235 576 2HG ARG 73 HG1 ARG 73 6.894 -1.005 10.301 577 1HD ARG 73 HD2 ARG 73 9.071 -2.028 9.982 578 2HD ARG 73 HD1 ARG 73 9.870 -0.655 10.749 579 HE ARG 73 HE ARG 73 8.790 -1.348 12.881 580 1HH1 ARG 73 HH11 ARG 73 10.075 -3.614 10.835 581 2HH1 ARG 73 HH12 ARG 73 9.263 -4.982 11.521 582 1HH2 ARG 73 HH21 ARG 73 7.161 -3.073 13.511 583 2HH2 ARG 73 HH22 ARG 73 7.613 -4.675 13.035 584 H ALA 74 HN ALA 74 10.236 3.152 8.785 585 HA ALA 74 HA ALA 74 11.607 2.581 11.384 586 1HB ALA 74 HB2 ALA 74 12.740 1.773 9.331 587 2HB ALA 74 HB1 ALA 74 12.768 3.426 8.718 588 3HB ALA 74 HB3 ALA 74 13.688 3.008 10.162 589 H ASP 75 HN ASP 75 10.243 5.024 9.445 590 HA ASP 75 HA ASP 75 11.392 7.401 9.609 591 1HB ASP 75 HB2 ASP 75 9.225 8.389 10.576 592 2HB ASP 75 HB1 ASP 75 9.072 7.406 9.121 593 H GLY 76 HN GLY 76 9.409 7.326 12.478 594 1HA GLY 76 HA2 GLY 76 11.587 7.144 14.374 595 2HA GLY 76 HA1 GLY 76 11.142 8.825 14.076 596 H ALA 77 HN ALA 77 8.910 9.458 14.528 597 HA ALA 77 HA ALA 77 7.752 7.844 16.752 598 1HB ALA 77 HB1 ALA 77 8.387 10.432 16.808 599 2HB ALA 77 HB3 ALA 77 6.784 10.593 16.090 600 3HB ALA 77 HB2 ALA 77 6.972 9.818 17.664 601 H MET 78 HN MET 78 7.361 7.327 13.801 602 HA MET 78 HA MET 78 4.408 7.185 13.926 603 1HB MET 78 HB2 MET 78 5.295 9.314 12.651 604 2HB MET 78 HB1 MET 78 5.638 8.157 11.364 605 1HG MET 78 HG2 MET 78 3.456 8.735 10.826 606 2HG MET 78 HG1 MET 78 3.166 7.350 11.878 607 1HE MET 78 HE3 MET 78 1.467 10.079 10.977 608 2HE MET 78 HE2 MET 78 0.699 8.687 11.736 609 3HE MET 78 HE1 MET 78 0.463 10.295 12.418 610 H SER 79 HN SER 79 6.496 5.188 14.130 611 HA SER 79 HA SER 79 6.664 3.826 11.551 612 1HB SER 79 HB2 SER 79 7.473 3.120 14.370 613 2HB SER 79 HB1 SER 79 7.545 1.927 13.076 614 HG SER 79 HG SER 79 9.478 2.871 12.945 615 H ALA 80 HN ALA 80 4.063 4.170 11.733 616 HA ALA 80 HA ALA 80 3.031 1.458 12.343 617 1HB ALA 80 HB1 ALA 80 2.686 3.185 14.293 618 2HB ALA 80 HB3 ALA 80 1.411 3.818 13.250 619 3HB ALA 80 HB2 ALA 80 1.348 2.145 13.803 620 H LEU 81 HN LEU 81 2.887 4.403 10.503 621 HA LEU 81 HA LEU 81 0.386 4.370 9.353 622 1HB LEU 81 HB2 LEU 81 2.808 5.576 8.741 623 2HB LEU 81 HB1 LEU 81 2.401 4.664 7.285 624 HG LEU 81 HG LEU 81 0.085 5.652 7.400 625 1HD1 LEU 81 HD13 LEU 81 1.135 6.665 9.899 626 2HD1 LEU 81 HD12 LEU 81 0.635 8.002 8.866 627 3HD1 LEU 81 HD11 LEU 81 -0.513 6.732 9.281 628 1HD2 LEU 81 HD23 LEU 81 2.529 7.387 7.051 629 2HD2 LEU 81 HD22 LEU 81 1.535 6.632 5.806 630 3HD2 LEU 81 HD21 LEU 81 0.909 8.002 6.724 631 HA PRO 82 HA PRO 82 0.497 0.066 7.840 632 1HB PRO 82 HB2 PRO 82 -2.059 0.469 6.573 633 2HB PRO 82 HB1 PRO 82 -1.685 -0.493 8.002 634 1HG PRO 82 HG2 PRO 82 -3.055 2.017 7.914 635 2HG PRO 82 HG1 PRO 82 -2.613 1.090 9.346 636 1HD PRO 82 HD2 PRO 82 -1.462 3.551 8.400 637 2HD PRO 82 HD1 PRO 82 -1.043 2.635 9.863 638 H VAL 83 HN VAL 83 1.514 -0.553 6.064 639 HA VAL 83 HA VAL 83 0.981 0.817 3.448 640 HB VAL 83 HB VAL 83 3.538 0.002 4.773 641 1HG1 VAL 83 HG11 VAL 83 2.933 -0.493 1.840 642 2HG1 VAL 83 HG13 VAL 83 4.566 -0.141 2.389 643 3HG1 VAL 83 HG12 VAL 83 3.738 -1.569 2.987 644 1HG2 VAL 83 HG22 VAL 83 2.566 2.375 3.987 645 2HG2 VAL 83 HG21 VAL 83 4.287 2.012 4.050 646 3HG2 VAL 83 HG23 VAL 83 3.431 1.904 2.518 647 H LEU 84 HN LEU 84 -0.134 -0.665 2.177 648 HA LEU 84 HA LEU 84 0.434 -3.505 2.776 649 1HB LEU 84 HB2 LEU 84 -1.970 -2.828 2.688 650 2HB LEU 84 HB1 LEU 84 -1.745 -2.342 1.017 651 HG LEU 84 HG LEU 84 -1.727 -4.516 0.238 652 1HD1 LEU 84 HD11 LEU 84 -0.707 -5.440 2.950 653 2HD1 LEU 84 HD13 LEU 84 -1.094 -6.513 1.610 654 3HD1 LEU 84 HD12 LEU 84 0.224 -5.363 1.448 655 1HD2 LEU 84 HD22 LEU 84 -3.827 -4.064 1.594 656 2HD2 LEU 84 HD21 LEU 84 -3.457 -5.767 1.318 657 3HD2 LEU 84 HD23 LEU 84 -3.102 -5.030 2.880 658 H MET 85 HN MET 85 2.177 -4.205 1.700 659 HA MET 85 HA MET 85 2.926 -2.936 -0.800 660 1HB MET 85 HB2 MET 85 4.859 -4.368 -0.760 661 2HB MET 85 HB1 MET 85 4.547 -3.904 0.911 662 1HG MET 85 HG2 MET 85 4.892 -6.214 1.082 663 2HG MET 85 HG1 MET 85 3.146 -6.080 1.014 664 1HE MET 85 HE2 MET 85 6.288 -6.212 -0.769 665 2HE MET 85 HE1 MET 85 6.226 -7.785 -1.559 666 3HE MET 85 HE3 MET 85 5.819 -6.321 -2.463 667 H VAL 86 HN VAL 86 2.428 -3.561 -2.805 668 HA VAL 86 HA VAL 86 0.758 -6.016 -3.122 669 HB VAL 86 HB VAL 86 0.866 -3.491 -4.782 670 1HG1 VAL 86 HG13 VAL 86 -0.844 -5.974 -4.854 671 2HG1 VAL 86 HG12 VAL 86 -1.341 -4.458 -5.609 672 3HG1 VAL 86 HG11 VAL 86 0.124 -5.275 -6.152 673 1HG2 VAL 86 HG23 VAL 86 -1.090 -4.447 -2.672 674 2HG2 VAL 86 HG22 VAL 86 -0.021 -3.052 -2.550 675 3HG2 VAL 86 HG21 VAL 86 -1.348 -3.051 -3.714 676 H THR 87 HN THR 87 1.252 -7.484 -4.743 677 HA THR 87 HA THR 87 3.364 -6.802 -6.700 678 HB THR 87 HB THR 87 4.636 -7.658 -4.765 679 HG1 THR 87 HG1 THR 87 4.838 -9.867 -6.320 680 1HG2 THR 87 HG23 THR 87 2.576 -9.094 -4.051 681 2HG2 THR 87 HG22 THR 87 3.271 -10.310 -5.122 682 3HG2 THR 87 HG21 THR 87 4.196 -9.715 -3.744 683 H ALA 88 HN ALA 88 3.728 -8.917 -8.116 684 HA ALA 88 HA ALA 88 1.090 -10.293 -8.477 685 1HB ALA 88 HB1 ALA 88 2.236 -8.416 -10.223 686 2HB ALA 88 HB3 ALA 88 2.568 -9.985 -10.955 687 3HB ALA 88 HB2 ALA 88 0.908 -9.519 -10.587 688 H GLU 89 HN GLU 89 4.373 -10.597 -7.917 689 HA GLU 89 HA GLU 89 4.278 -13.472 -8.694 690 1HB GLU 89 HB2 GLU 89 6.727 -13.205 -9.403 691 2HB GLU 89 HB1 GLU 89 5.523 -12.529 -10.502 692 1HG GLU 89 HG2 GLU 89 6.362 -10.645 -8.415 693 2HG GLU 89 HG1 GLU 89 7.684 -11.150 -9.469 694 H ALA 90 HN ALA 90 3.800 -12.905 -6.163 695 HA ALA 90 HA ALA 90 5.815 -12.268 -4.350 696 1HB ALA 90 HB3 ALA 90 3.343 -13.804 -4.280 697 2HB ALA 90 HB2 ALA 90 4.552 -14.480 -3.190 698 3HB ALA 90 HB1 ALA 90 4.064 -12.794 -3.027 699 H LYS 91 HN LYS 91 7.872 -12.968 -5.061 700 HA LYS 91 HA LYS 91 8.386 -15.772 -5.673 701 1HB LYS 91 HB2 LYS 91 9.649 -13.544 -6.419 702 2HB LYS 91 HB1 LYS 91 10.600 -13.886 -4.973 703 1HG LYS 91 HG2 LYS 91 11.787 -15.120 -6.534 704 2HG LYS 91 HG1 LYS 91 10.635 -16.340 -5.990 705 1HD LYS 91 HD2 LYS 91 9.110 -15.452 -7.889 706 2HD LYS 91 HD1 LYS 91 10.576 -14.703 -8.520 707 1HE LYS 91 HE2 LYS 91 11.633 -17.064 -8.238 708 2HE LYS 91 HE1 LYS 91 9.965 -17.630 -8.159 709 1HZ LYS 91 HZ1 LYS 91 10.480 -15.777 -10.303 710 2HZ LYS 91 HZ3 LYS 91 11.352 -17.226 -10.433 711 3HZ LYS 91 HZ2 LYS 91 9.657 -17.263 -10.324 712 H LYS 92 HN LYS 92 7.197 -15.728 -3.189 713 HA LYS 92 HA LYS 92 7.500 -16.405 -0.960 714 1HB LYS 92 HB2 LYS 92 9.655 -17.726 -2.538 715 2HB LYS 92 HB1 LYS 92 9.830 -17.749 -0.783 716 1HG LYS 92 HG2 LYS 92 7.558 -18.706 -0.572 717 2HG LYS 92 HG1 LYS 92 7.400 -18.702 -2.329 718 1HD LYS 92 HD2 LYS 92 9.606 -20.082 -2.306 719 2HD LYS 92 HD1 LYS 92 9.224 -20.372 -0.609 720 1HE LYS 92 HE2 LYS 92 8.036 -22.131 -1.446 721 2HE LYS 92 HE1 LYS 92 6.811 -20.899 -1.745 722 1HZ LYS 92 HZ1 LYS 92 8.432 -20.686 -3.898 723 2HZ LYS 92 HZ3 LYS 92 8.438 -22.357 -3.613 724 3HZ LYS 92 HZ2 LYS 92 6.966 -21.544 -3.857 725 H GLU 93 HN GLU 93 10.970 -16.164 -1.499 726 HA GLU 93 HA GLU 93 11.613 -14.770 0.793 727 1HB GLU 93 HB2 GLU 93 13.095 -15.673 -1.224 728 2HB GLU 93 HB1 GLU 93 13.058 -13.975 -1.699 729 1HG GLU 93 HG2 GLU 93 13.652 -13.570 0.844 730 2HG GLU 93 HG1 GLU 93 14.245 -15.229 0.751 731 H ASN 94 HN ASN 94 10.547 -13.351 -2.301 732 HA ASN 94 HA ASN 94 10.949 -10.630 -1.621 733 1HB ASN 94 HB2 ASN 94 9.190 -12.101 -3.513 734 2HB ASN 94 HB1 ASN 94 8.729 -10.445 -3.134 735 1HD2 ASN 94 HD22 ASN 94 10.990 -9.502 -5.698 736 2HD2 ASN 94 HD21 ASN 94 9.365 -9.588 -5.219 737 H ILE 95 HN ILE 95 8.216 -12.793 -0.940 738 HA ILE 95 HA ILE 95 6.511 -10.842 0.253 739 HB ILE 95 HB ILE 95 6.827 -13.781 0.958 740 1HG1 ILE 95 HG12 ILE 95 4.780 -12.448 -0.832 741 2HG1 ILE 95 HG11 ILE 95 6.246 -13.214 -1.446 742 1HG2 ILE 95 HG22 ILE 95 5.187 -11.649 2.061 743 2HG2 ILE 95 HG21 ILE 95 4.187 -12.928 1.372 744 3HG2 ILE 95 HG23 ILE 95 5.374 -13.311 2.618 745 1HD1 ILE 95 HD13 ILE 95 4.803 -14.913 0.449 746 2HD1 ILE 95 HD12 ILE 95 3.832 -14.502 -0.963 747 3HD1 ILE 95 HD11 ILE 95 5.396 -15.292 -1.167 748 H ILE 96 HN ILE 96 8.883 -13.056 1.741 749 HA ILE 96 HA ILE 96 8.638 -11.936 4.371 750 HB ILE 96 HB ILE 96 11.206 -13.165 3.419 751 1HG1 ILE 96 HG12 ILE 96 9.587 -14.589 2.336 752 2HG1 ILE 96 HG11 ILE 96 10.121 -15.422 3.793 753 1HG2 ILE 96 HG22 ILE 96 10.739 -12.394 5.801 754 2HG2 ILE 96 HG21 ILE 96 9.556 -13.699 5.898 755 3HG2 ILE 96 HG23 ILE 96 11.259 -14.070 5.632 756 1HD1 ILE 96 HD13 ILE 96 8.050 -14.138 4.869 757 2HD1 ILE 96 HD12 ILE 96 7.482 -14.148 3.201 758 3HD1 ILE 96 HD11 ILE 96 7.834 -15.667 4.020 759 H ALA 97 HN ALA 97 10.443 -10.994 1.534 760 HA ALA 97 HA ALA 97 12.460 -9.418 2.725 761 1HB ALA 97 HB3 ALA 97 12.164 -9.902 0.249 762 2HB ALA 97 HB2 ALA 97 10.928 -8.647 0.233 763 3HB ALA 97 HB1 ALA 97 12.594 -8.237 0.635 764 H ALA 98 HN ALA 98 9.214 -8.360 1.674 765 HA ALA 98 HA ALA 98 9.512 -5.816 3.080 766 1HB ALA 98 HB1 ALA 98 7.820 -6.789 1.060 767 2HB ALA 98 HB3 ALA 98 6.770 -6.493 2.446 768 3HB ALA 98 HB2 ALA 98 7.767 -5.189 1.802 769 H ALA 99 HN ALA 99 7.429 -8.700 3.525 770 HA ALA 99 HA ALA 99 6.181 -7.796 5.867 771 1HB ALA 99 HB3 ALA 99 6.828 -10.524 4.789 772 2HB ALA 99 HB2 ALA 99 6.183 -10.379 6.423 773 3HB ALA 99 HB1 ALA 99 5.256 -9.772 5.051 774 H GLN 100 HN GLN 100 9.428 -9.124 5.379 775 HA GLN 100 HA GLN 100 10.050 -9.697 8.117 776 1HB GLN 100 HB2 GLN 100 11.687 -10.365 6.480 777 2HB GLN 100 HB1 GLN 100 11.788 -8.733 5.820 778 1HG GLN 100 HG2 GLN 100 13.200 -8.024 7.466 779 2HG GLN 100 HG1 GLN 100 12.383 -8.969 8.712 780 1HE2 GLN 100 HE22 GLN 100 14.472 -11.815 8.315 781 2HE2 GLN 100 HE21 GLN 100 13.032 -11.223 8.991 782 H ALA 101 HN ALA 101 9.859 -6.823 6.171 783 HA ALA 101 HA ALA 101 10.782 -5.016 8.302 784 1HB ALA 101 HB1 ALA 101 10.147 -4.806 5.484 785 2HB ALA 101 HB3 ALA 101 9.182 -3.640 6.386 786 3HB ALA 101 HB2 ALA 101 10.939 -3.610 6.513 787 H GLY 102 HN GLY 102 8.027 -6.642 7.183 788 1HA GLY 102 HA2 GLY 102 5.866 -6.877 7.961 789 2HA GLY 102 HA1 GLY 102 6.481 -6.263 9.483 790 H ALA 103 HN ALA 103 5.182 -5.200 6.310 791 HA ALA 103 HA ALA 103 4.777 -2.501 7.454 792 1HB ALA 103 HB2 ALA 103 3.992 -3.837 4.852 793 2HB ALA 103 HB1 ALA 103 3.613 -2.171 5.249 794 3HB ALA 103 HB3 ALA 103 5.261 -2.668 5.088 795 H SER 104 HN SER 104 2.311 -3.298 5.467 796 HA SER 104 HA SER 104 0.377 -3.581 7.721 797 1HB SER 104 HB2 SER 104 0.041 -1.983 5.672 798 2HB SER 104 HB1 SER 104 -0.483 -3.446 4.851 799 HG SER 104 HG SER 104 -2.259 -3.376 5.954 800 H GLY 105 HN GLY 105 1.239 -5.055 4.671 801 1HA GLY 105 HA2 GLY 105 1.199 -7.752 5.462 802 2HA GLY 105 HA1 GLY 105 -0.416 -7.381 4.888 803 OH TYR 106 OH TYR 106 1.416 -13.641 -2.493 804 H TYR 106 HN TYR 106 0.238 -9.017 3.177 805 HA TYR 106 HA TYR 106 1.413 -7.552 0.874 806 1HB TYR 106 HB2 TYR 106 3.267 -8.839 0.883 807 2HB TYR 106 HB1 TYR 106 2.627 -9.846 2.182 808 HD1 TYR 106 HD2 TYR 106 2.624 -9.353 -1.535 809 HD2 TYR 106 HD1 TYR 106 1.611 -11.964 1.729 810 HE1 TYR 106 HE2 TYR 106 2.187 -11.202 -3.126 811 HE2 TYR 106 HE1 TYR 106 1.180 -13.799 0.130 812 HH TYR 106 HH TYR 106 2.202 -14.190 -2.532 813 H VAL 107 HN VAL 107 0.093 -7.689 -0.805 814 HA VAL 107 HA VAL 107 -1.710 -10.069 -1.035 815 HB VAL 107 HB VAL 107 -2.930 -7.982 -0.311 816 1HG1 VAL 107 HG11 VAL 107 -1.258 -6.608 -1.836 817 2HG1 VAL 107 HG13 VAL 107 -2.474 -6.912 -3.076 818 3HG1 VAL 107 HG12 VAL 107 -2.913 -6.047 -1.603 819 1HG2 VAL 107 HG21 VAL 107 -3.520 -9.021 -3.104 820 2HG2 VAL 107 HG23 VAL 107 -4.078 -9.745 -1.597 821 3HG2 VAL 107 HG22 VAL 107 -4.666 -8.154 -2.082 822 H VAL 108 HN VAL 108 -1.284 -11.127 -2.916 823 HA VAL 108 HA VAL 108 0.556 -10.153 -4.847 824 HB VAL 108 HB VAL 108 -1.303 -11.895 -6.154 825 1HG1 VAL 108 HG13 VAL 108 1.200 -11.786 -6.387 826 2HG1 VAL 108 HG12 VAL 108 1.330 -12.574 -4.816 827 3HG1 VAL 108 HG11 VAL 108 0.577 -13.421 -6.166 828 1HG2 VAL 108 HG23 VAL 108 -2.213 -12.349 -3.901 829 2HG2 VAL 108 HG22 VAL 108 -1.374 -13.762 -4.541 830 3HG2 VAL 108 HG21 VAL 108 -0.594 -12.745 -3.328 831 H LYS 109 HN LYS 109 -0.699 -10.285 -7.350 832 HA LYS 109 HA LYS 109 -3.101 -8.656 -7.349 833 1HB LYS 109 HB2 LYS 109 -2.267 -6.566 -7.637 834 2HB LYS 109 HB1 LYS 109 -0.803 -7.238 -6.933 835 1HG LYS 109 HG2 LYS 109 -0.047 -7.829 -9.278 836 2HG LYS 109 HG1 LYS 109 -1.428 -6.905 -9.881 837 1HD LYS 109 HD2 LYS 109 -0.550 -4.969 -8.443 838 2HD LYS 109 HD1 LYS 109 0.938 -5.902 -8.292 839 1HE LYS 109 HE2 LYS 109 -0.339 -5.110 -10.927 840 2HE LYS 109 HE1 LYS 109 1.023 -4.274 -10.180 841 1HZ LYS 109 HZ2 LYS 109 2.058 -6.622 -10.140 842 2HZ LYS 109 HZ1 LYS 109 0.914 -6.974 -11.346 843 3HZ LYS 109 HZ3 LYS 109 2.055 -5.745 -11.594 844 HA PRO 110 HA PRO 110 -4.009 -7.181 -9.048 845 1HB PRO 110 HB2 PRO 110 -6.149 -8.130 -10.709 846 2HB PRO 110 HB1 PRO 110 -5.138 -6.701 -10.964 847 1HG PRO 110 HG2 PRO 110 -5.119 -9.098 -12.507 848 2HG PRO 110 HG1 PRO 110 -3.993 -7.740 -12.639 849 1HD PRO 110 HD2 PRO 110 -3.551 -10.388 -11.452 850 2HD PRO 110 HD1 PRO 110 -2.361 -9.140 -11.875 851 H PHE 111 HN PHE 111 -6.084 -7.229 -7.833 852 HA PHE 111 HA PHE 111 -6.943 -9.981 -7.003 853 1HB PHE 111 HB2 PHE 111 -7.430 -8.768 -4.741 854 2HB PHE 111 HB1 PHE 111 -5.776 -9.248 -5.095 855 HD1 PHE 111 HD2 PHE 111 -8.132 -6.334 -5.614 856 HD2 PHE 111 HD1 PHE 111 -4.110 -7.649 -4.901 857 HE1 PHE 111 HE2 PHE 111 -7.364 -3.991 -5.530 858 HE2 PHE 111 HE1 PHE 111 -3.353 -5.304 -4.796 859 HZ PHE 111 HZ PHE 111 -4.982 -3.464 -5.109 860 H THR 112 HN THR 112 -9.118 -9.941 -5.980 861 HA THR 112 HA THR 112 -10.901 -8.061 -7.435 862 HB THR 112 HB THR 112 -12.058 -10.165 -5.693 863 HG1 THR 112 HG1 THR 112 -10.212 -10.674 -7.699 864 1HG2 THR 112 HG23 THR 112 -13.384 -8.734 -7.225 865 2HG2 THR 112 HG22 THR 112 -12.486 -9.395 -8.592 866 3HG2 THR 112 HG21 THR 112 -13.528 -10.445 -7.631 867 H ALA 113 HN ALA 113 -12.314 -6.685 -6.211 868 HA ALA 113 HA ALA 113 -11.336 -5.540 -3.875 869 1HB ALA 113 HB2 ALA 113 -13.372 -4.849 -5.373 870 2HB ALA 113 HB1 ALA 113 -14.313 -5.813 -4.236 871 3HB ALA 113 HB3 ALA 113 -13.392 -4.424 -3.661 872 H ALA 114 HN ALA 114 -13.063 -8.552 -4.193 873 HA ALA 114 HA ALA 114 -13.762 -8.757 -1.388 874 1HB ALA 114 HB1 ALA 114 -13.379 -10.929 -3.479 875 2HB ALA 114 HB3 ALA 114 -14.107 -11.167 -1.890 876 3HB ALA 114 HB2 ALA 114 -14.906 -10.139 -3.080 877 H THR 115 HN THR 115 -10.980 -9.721 -3.358 878 HA THR 115 HA THR 115 -9.650 -11.129 -1.215 879 HB THR 115 HB THR 115 -7.650 -10.140 -2.887 880 HG1 THR 115 HG1 THR 115 -8.865 -10.832 -4.932 881 1HG2 THR 115 HG23 THR 115 -9.308 -12.663 -3.147 882 2HG2 THR 115 HG22 THR 115 -7.711 -12.412 -3.853 883 3HG2 THR 115 HG21 THR 115 -7.903 -12.456 -2.101 884 H LEU 116 HN LEU 116 -8.806 -7.915 -2.698 885 HA LEU 116 HA LEU 116 -7.110 -7.084 -0.620 886 1HB LEU 116 HB2 LEU 116 -8.001 -5.892 -2.856 887 2HB LEU 116 HB1 LEU 116 -9.011 -5.055 -1.683 888 HG LEU 116 HG LEU 116 -6.926 -4.557 -0.347 889 1HD1 LEU 116 HD12 LEU 116 -5.740 -6.101 -2.581 890 2HD1 LEU 116 HD11 LEU 116 -4.894 -4.609 -2.171 891 3HD1 LEU 116 HD13 LEU 116 -5.147 -5.846 -0.941 892 1HD2 LEU 116 HD23 LEU 116 -8.021 -2.966 -2.002 893 2HD2 LEU 116 HD22 LEU 116 -6.317 -2.661 -1.679 894 3HD2 LEU 116 HD21 LEU 116 -6.799 -3.469 -3.167 895 H GLU 117 HN GLU 117 -10.675 -6.952 -0.733 896 HA GLU 117 HA GLU 117 -10.986 -5.491 1.694 897 1HB GLU 117 HB2 GLU 117 -12.864 -5.715 0.182 898 2HB GLU 117 HB1 GLU 117 -12.830 -7.472 0.344 899 1HG GLU 117 HG2 GLU 117 -13.575 -7.393 2.591 900 2HG GLU 117 HG1 GLU 117 -13.198 -5.676 2.741 901 H GLU 118 HN GLU 118 -11.572 -8.970 1.191 902 HA GLU 118 HA GLU 118 -11.778 -9.799 3.824 903 1HB GLU 118 HB2 GLU 118 -10.625 -11.103 1.380 904 2HB GLU 118 HB1 GLU 118 -10.475 -11.917 2.938 905 1HG GLU 118 HG2 GLU 118 -12.753 -12.242 3.148 906 2HG GLU 118 HG1 GLU 118 -13.151 -10.817 2.187 907 H LYS 119 HN LYS 119 -8.805 -9.019 2.061 908 HA LYS 119 HA LYS 119 -7.069 -9.864 4.240 909 1HB LYS 119 HB2 LYS 119 -6.754 -8.905 1.541 910 2HB LYS 119 HB1 LYS 119 -5.725 -7.963 2.622 911 1HG LYS 119 HG2 LYS 119 -4.827 -10.074 3.575 912 2HG LYS 119 HG1 LYS 119 -5.811 -10.988 2.431 913 1HD LYS 119 HD2 LYS 119 -4.610 -9.408 0.664 914 2HD LYS 119 HD1 LYS 119 -3.384 -9.310 1.928 915 1HE LYS 119 HE2 LYS 119 -4.271 -11.678 0.328 916 2HE LYS 119 HE1 LYS 119 -2.643 -11.193 0.798 917 1HZ LYS 119 HZ2 LYS 119 -3.716 -11.641 3.181 918 2HZ LYS 119 HZ1 LYS 119 -4.611 -12.754 2.259 919 3HZ LYS 119 HZ3 LYS 119 -2.917 -12.843 2.284 920 H LEU 120 HN LEU 120 -8.709 -6.908 3.307 921 HA LEU 120 HA LEU 120 -7.208 -5.115 4.979 922 1HB LEU 120 HB2 LEU 120 -9.125 -4.737 3.106 923 2HB LEU 120 HB1 LEU 120 -10.108 -4.603 4.559 924 HG LEU 120 HG LEU 120 -8.427 -2.946 5.458 925 1HD1 LEU 120 HD12 LEU 120 -7.173 -3.578 2.845 926 2HD1 LEU 120 HD11 LEU 120 -7.248 -1.866 3.253 927 3HD1 LEU 120 HD13 LEU 120 -6.443 -2.997 4.338 928 1HD2 LEU 120 HD21 LEU 120 -9.916 -2.341 2.891 929 2HD2 LEU 120 HD23 LEU 120 -10.492 -2.114 4.543 930 3HD2 LEU 120 HD22 LEU 120 -9.198 -1.096 3.912 931 H ASN 121 HN ASN 121 -10.427 -6.602 5.498 932 HA ASN 121 HA ASN 121 -10.800 -5.773 8.153 933 1HB ASN 121 HB2 ASN 121 -12.228 -7.310 6.435 934 2HB ASN 121 HB1 ASN 121 -11.640 -8.549 7.543 935 1HD2 ASN 121 HD22 ASN 121 -14.844 -6.955 8.839 936 2HD2 ASN 121 HD21 ASN 121 -14.439 -7.600 7.323 937 H LYS 122 HN LYS 122 -9.048 -8.628 6.967 938 HA LYS 122 HA LYS 122 -8.481 -9.679 9.584 939 1HB LYS 122 HB2 LYS 122 -8.018 -10.473 6.920 940 2HB LYS 122 HB1 LYS 122 -6.417 -10.306 7.635 941 1HG LYS 122 HG2 LYS 122 -8.662 -11.871 8.947 942 2HG LYS 122 HG1 LYS 122 -7.462 -12.601 7.887 943 1HD LYS 122 HD2 LYS 122 -5.661 -11.996 9.360 944 2HD LYS 122 HD1 LYS 122 -6.725 -10.996 10.347 945 1HE LYS 122 HE2 LYS 122 -7.445 -13.875 9.985 946 2HE LYS 122 HE1 LYS 122 -6.117 -13.482 11.077 947 1HZ LYS 122 HZ1 LYS 122 -7.668 -11.836 12.123 948 2HZ LYS 122 HZ3 LYS 122 -8.921 -12.537 11.220 949 3HZ LYS 122 HZ2 LYS 122 -8.074 -13.469 12.362 950 H ILE 123 HN ILE 123 -6.976 -7.210 7.611 951 HA ILE 123 HA ILE 123 -4.531 -7.151 9.235 952 HB ILE 123 HB ILE 123 -5.608 -5.579 6.914 953 1HG1 ILE 123 HG12 ILE 123 -2.835 -6.685 7.380 954 2HG1 ILE 123 HG11 ILE 123 -4.151 -7.708 6.806 955 1HG2 ILE 123 HG21 ILE 123 -3.517 -4.673 8.896 956 2HG2 ILE 123 HG23 ILE 123 -3.447 -4.166 7.209 957 3HG2 ILE 123 HG22 ILE 123 -4.845 -3.745 8.195 958 1HD1 ILE 123 HD11 ILE 123 -4.510 -6.175 4.900 959 2HD1 ILE 123 HD13 ILE 123 -3.177 -5.168 5.467 960 3HD1 ILE 123 HD12 ILE 123 -2.865 -6.811 4.908 961 H PHE 124 HN PHE 124 -7.414 -5.093 8.809 962 HA PHE 124 HA PHE 124 -6.608 -3.135 10.713 963 1HB PHE 124 HB2 PHE 124 -9.188 -3.888 9.402 964 2HB PHE 124 HB1 PHE 124 -9.229 -2.791 10.784 965 HD1 PHE 124 HD1 PHE 124 -7.374 -3.346 7.580 966 HD2 PHE 124 HD2 PHE 124 -8.852 -0.502 10.437 967 HE1 PHE 124 HE1 PHE 124 -6.600 -1.490 6.132 968 HE2 PHE 124 HE2 PHE 124 -8.079 1.355 8.987 969 HZ PHE 124 HZ PHE 124 -6.957 0.857 6.836 970 H GLU 125 HN GLU 125 -8.139 -6.266 11.072 971 HA GLU 125 HA GLU 125 -9.319 -5.998 13.611 972 1HB GLU 125 HB2 GLU 125 -8.839 -8.114 11.947 973 2HB GLU 125 HB1 GLU 125 -7.687 -8.445 13.241 974 1HG GLU 125 HG2 GLU 125 -9.514 -8.214 14.905 975 2HG GLU 125 HG1 GLU 125 -10.658 -7.953 13.588 976 H LYS 126 HN LYS 126 -5.956 -6.094 12.674 977 HA LYS 126 HA LYS 126 -5.044 -6.257 15.477 978 1HB LYS 126 HB2 LYS 126 -3.421 -5.757 12.963 979 2HB LYS 126 HB1 LYS 126 -2.801 -6.237 14.543 980 1HG LYS 126 HG2 LYS 126 -4.649 -8.200 14.084 981 2HG LYS 126 HG1 LYS 126 -4.080 -7.876 12.445 982 1HD LYS 126 HD2 LYS 126 -1.703 -8.003 13.454 983 2HD LYS 126 HD1 LYS 126 -2.479 -8.765 14.842 984 1HE LYS 126 HE2 LYS 126 -2.120 -10.674 13.633 985 2HE LYS 126 HE1 LYS 126 -3.621 -10.188 12.843 986 1HZ LYS 126 HZ1 LYS 126 -0.918 -9.389 11.912 987 2HZ LYS 126 HZ3 LYS 126 -1.784 -10.708 11.289 988 3HZ LYS 126 HZ2 LYS 126 -2.396 -9.132 11.112 989 H LEU 127 HN LEU 127 -5.829 -3.893 13.079 990 HA LEU 127 HA LEU 127 -4.272 -1.741 14.307 991 1HB LEU 127 HB2 LEU 127 -4.907 -1.786 11.853 992 2HB LEU 127 HB1 LEU 127 -6.580 -1.516 12.345 993 HG LEU 127 HG LEU 127 -4.838 0.394 13.653 994 1HD1 LEU 127 HD11 LEU 127 -4.779 0.319 10.620 995 2HD1 LEU 127 HD13 LEU 127 -4.183 1.645 11.618 996 3HD1 LEU 127 HD12 LEU 127 -3.396 0.068 11.687 997 1HD2 LEU 127 HD21 LEU 127 -7.326 0.514 13.266 998 2HD2 LEU 127 HD23 LEU 127 -6.454 1.957 12.749 999 3HD2 LEU 127 HD22 LEU 127 -6.995 0.776 11.555 1000 H GLY 128 HN GLY 128 -7.431 -3.163 14.671 1001 1HA GLY 128 HA2 GLY 128 -8.207 -2.457 17.086 1002 2HA GLY 128 HA1 GLY 128 -8.375 -0.885 16.303 1003 H MET 129 HN MET 129 -9.317 -1.746 13.782 1004 HA MET 129 HA MET 129 -12.085 -2.445 14.516 1005 1HB MET 129 HB2 MET 129 -11.387 -2.067 11.667 1006 2HB MET 129 HB1 MET 129 -12.688 -1.351 12.615 1007 1HG MET 129 HG2 MET 129 -9.784 -0.503 12.586 1008 2HG MET 129 HG1 MET 129 -11.167 0.422 12.008 1009 1HE MET 129 HE1 MET 129 -10.065 2.248 13.269 1010 2HE MET 129 HE3 MET 129 -11.806 2.479 13.486 1011 3HE MET 129 HE2 MET 129 -10.705 2.717 14.841 Start of MODEL 12 Raw file had 1011 H/Q atoms Start of MODEL 12 1 H ALA 2 HN ALA 2 -14.316 -0.915 8.700 2 HA ALA 2 HA ALA 2 -12.216 0.095 10.408 3 1HB ALA 2 HB2 ALA 2 -10.998 -1.244 8.556 4 2HB ALA 2 HB1 ALA 2 -11.486 0.067 7.484 5 3HB ALA 2 HB3 ALA 2 -10.451 0.402 8.870 6 H ASP 3 HN ASP 3 -11.610 2.421 9.624 7 HA ASP 3 HA ASP 3 -13.963 3.969 9.403 8 1HB ASP 3 HB2 ASP 3 -11.271 4.504 9.755 9 2HB ASP 3 HB1 ASP 3 -11.606 5.221 8.178 10 H LYS 4 HN LYS 4 -14.985 4.977 7.611 11 HA LYS 4 HA LYS 4 -14.539 3.581 5.049 12 1HB LYS 4 HB2 LYS 4 -16.683 5.403 6.110 13 2HB LYS 4 HB1 LYS 4 -16.584 5.055 4.392 14 1HG LYS 4 HG2 LYS 4 -16.667 2.619 4.905 15 2HG LYS 4 HG1 LYS 4 -16.865 3.011 6.614 16 1HD LYS 4 HD2 LYS 4 -18.982 4.032 6.243 17 2HD LYS 4 HD1 LYS 4 -18.729 4.097 4.498 18 1HE LYS 4 HE2 LYS 4 -18.771 1.625 4.405 19 2HE LYS 4 HE1 LYS 4 -19.049 1.569 6.146 20 1HZ LYS 4 HZ1 LYS 4 -21.040 3.048 5.653 21 2HZ LYS 4 HZ3 LYS 4 -20.840 2.595 4.031 22 3HZ LYS 4 HZ2 LYS 4 -21.158 1.412 5.207 23 H GLU 5 HN GLU 5 -12.614 5.637 6.103 24 HA GLU 5 HA GLU 5 -12.368 7.137 3.598 25 1HB GLU 5 HB2 GLU 5 -13.935 8.446 5.219 26 2HB GLU 5 HB1 GLU 5 -12.456 8.782 6.120 27 1HG GLU 5 HG2 GLU 5 -11.473 9.525 3.844 28 2HG GLU 5 HG1 GLU 5 -13.149 9.575 3.293 29 H LEU 6 HN LEU 6 -10.751 5.164 4.970 30 HA LEU 6 HA LEU 6 -8.606 6.510 6.321 31 1HB LEU 6 HB2 LEU 6 -9.176 4.100 6.656 32 2HB LEU 6 HB1 LEU 6 -8.659 3.772 5.009 33 HG LEU 6 HG LEU 6 -6.375 4.357 5.538 34 1HD1 LEU 6 HD12 LEU 6 -7.601 5.368 8.084 35 2HD1 LEU 6 HD11 LEU 6 -5.926 4.823 8.071 36 3HD1 LEU 6 HD13 LEU 6 -6.426 6.156 7.030 37 1HD2 LEU 6 HD23 LEU 6 -7.462 2.121 6.347 38 2HD2 LEU 6 HD22 LEU 6 -5.849 2.560 6.925 39 3HD2 LEU 6 HD21 LEU 6 -7.254 2.812 7.955 40 H LYS 7 HN LYS 7 -6.700 7.350 5.401 41 HA LYS 7 HA LYS 7 -6.800 7.950 2.561 42 1HB LYS 7 HB2 LYS 7 -5.021 8.642 4.851 43 2HB LYS 7 HB1 LYS 7 -4.375 8.837 3.223 44 1HG LYS 7 HG2 LYS 7 -5.922 10.467 2.645 45 2HG LYS 7 HG1 LYS 7 -7.119 9.900 3.807 46 1HD LYS 7 HD2 LYS 7 -4.501 11.225 4.580 47 2HD LYS 7 HD1 LYS 7 -6.031 12.086 4.438 48 1HE LYS 7 HE2 LYS 7 -6.347 11.563 6.619 49 2HE LYS 7 HE1 LYS 7 -6.681 9.926 6.060 50 1HZ LYS 7 HZ3 LYS 7 -3.948 10.124 6.108 51 2HZ LYS 7 HZ2 LYS 7 -4.452 10.907 7.528 52 3HZ LYS 7 HZ1 LYS 7 -4.921 9.302 7.227 53 H PHE 8 HN PHE 8 -5.675 7.040 0.887 54 HA PHE 8 HA PHE 8 -3.693 4.909 1.512 55 1HB PHE 8 HB2 PHE 8 -5.814 4.985 -0.638 56 2HB PHE 8 HB1 PHE 8 -4.523 3.810 -0.584 57 HD1 PHE 8 HD1 PHE 8 -7.476 5.101 1.197 58 HD2 PHE 8 HD2 PHE 8 -4.649 1.893 0.874 59 HE1 PHE 8 HE1 PHE 8 -8.869 3.722 2.704 60 HE2 PHE 8 HE2 PHE 8 -6.052 0.505 2.383 61 HZ PHE 8 HZ PHE 8 -8.160 1.426 3.306 62 H LEU 9 HN LEU 9 -1.887 4.826 0.147 63 HA LEU 9 HA LEU 9 -1.753 6.968 -1.951 64 1HB LEU 9 HB2 LEU 9 -0.162 7.414 -0.103 65 2HB LEU 9 HB1 LEU 9 0.548 5.833 -0.343 66 HG LEU 9 HG LEU 9 1.133 6.472 -2.679 67 1HD1 LEU 9 HD13 LEU 9 -0.385 8.911 -1.864 68 2HD1 LEU 9 HD12 LEU 9 1.010 9.128 -2.920 69 3HD1 LEU 9 HD11 LEU 9 -0.326 8.095 -3.425 70 1HD2 LEU 9 HD22 LEU 9 2.529 7.015 -0.511 71 2HD2 LEU 9 HD21 LEU 9 3.035 7.621 -2.083 72 3HD2 LEU 9 HD23 LEU 9 2.174 8.680 -0.973 73 H VAL 10 HN VAL 10 -1.762 6.044 -3.964 74 HA VAL 10 HA VAL 10 -0.707 3.267 -4.226 75 HB VAL 10 HB VAL 10 -1.909 3.519 -6.528 76 1HG1 VAL 10 HG13 VAL 10 -3.174 3.213 -3.815 77 2HG1 VAL 10 HG12 VAL 10 -4.151 3.072 -5.275 78 3HG1 VAL 10 HG11 VAL 10 -2.806 1.964 -5.003 79 1HG2 VAL 10 HG22 VAL 10 -2.255 5.981 -6.239 80 2HG2 VAL 10 HG21 VAL 10 -3.753 5.101 -6.527 81 3HG2 VAL 10 HG23 VAL 10 -3.342 5.627 -4.896 82 H VAL 11 HN VAL 11 1.450 3.439 -4.663 83 HA VAL 11 HA VAL 11 2.380 5.480 -6.565 84 HB VAL 11 HB VAL 11 3.986 3.569 -4.850 85 1HG1 VAL 11 HG11 VAL 11 4.671 5.700 -6.816 86 2HG1 VAL 11 HG13 VAL 11 5.622 5.661 -5.332 87 3HG1 VAL 11 HG12 VAL 11 5.561 4.244 -6.377 88 1HG2 VAL 11 HG21 VAL 11 2.750 6.223 -4.337 89 2HG2 VAL 11 HG23 VAL 11 3.118 4.920 -3.209 90 3HG2 VAL 11 HG22 VAL 11 4.399 6.003 -3.753 91 H ASP 12 HN ASP 12 2.478 4.845 -8.677 92 HA ASP 12 HA ASP 12 3.589 2.170 -9.292 93 1HB ASP 12 HB2 ASP 12 0.791 2.752 -9.427 94 2HB ASP 12 HB1 ASP 12 1.396 2.566 -11.074 95 H ASP 13 HN ASP 13 3.641 2.020 -11.866 96 HA ASP 13 HA ASP 13 4.584 4.675 -12.892 97 1HB ASP 13 HB2 ASP 13 6.185 3.370 -14.285 98 2HB ASP 13 HB1 ASP 13 6.459 3.134 -12.558 99 H PHE 14 HN PHE 14 1.992 2.877 -13.090 100 HA PHE 14 HA PHE 14 1.837 2.476 -15.998 101 1HB PHE 14 HB2 PHE 14 0.492 1.436 -13.736 102 2HB PHE 14 HB1 PHE 14 -0.723 2.325 -14.651 103 HD1 PHE 14 HD2 PHE 14 -0.069 2.013 -17.412 104 HD2 PHE 14 HD1 PHE 14 0.392 -0.842 -14.233 105 HE1 PHE 14 HE2 PHE 14 -0.187 0.162 -19.056 106 HE2 PHE 14 HE1 PHE 14 0.275 -2.691 -15.878 107 HZ PHE 14 HZ PHE 14 -0.014 -2.189 -18.289 108 H SER 15 HN SER 15 -0.842 3.299 -16.434 109 HA SER 15 HA SER 15 -0.819 6.227 -15.889 110 1HB SER 15 HB2 SER 15 -0.031 5.176 -18.335 111 2HB SER 15 HB1 SER 15 -1.730 5.559 -18.592 112 HG SER 15 HG SER 15 -0.475 7.376 -19.014 113 H THR 16 HN THR 16 -2.428 3.356 -15.763 114 HA THR 16 HA THR 16 -5.033 4.742 -15.512 115 HB THR 16 HB THR 16 -5.552 3.992 -17.621 116 HG1 THR 16 HG1 THR 16 -5.710 1.427 -16.500 117 1HG2 THR 16 HG23 THR 16 -3.471 1.846 -17.150 118 2HG2 THR 16 HG22 THR 16 -4.464 1.928 -18.606 119 3HG2 THR 16 HG21 THR 16 -3.350 3.240 -18.223 120 H MET 17 HN MET 17 -2.763 2.795 -14.216 121 HA MET 17 HA MET 17 -4.406 0.691 -13.066 122 1HB MET 17 HB2 MET 17 -2.013 0.335 -13.305 123 2HB MET 17 HB1 MET 17 -1.665 1.758 -12.323 124 1HG MET 17 HG2 MET 17 -2.220 0.706 -10.351 125 2HG MET 17 HG1 MET 17 -3.417 -0.334 -11.124 126 1HE MET 17 HE1 MET 17 -3.127 -2.665 -11.121 127 2HE MET 17 HE3 MET 17 -1.664 -3.461 -10.526 128 3HE MET 17 HE2 MET 17 -2.473 -2.246 -9.540 129 NH1 ARG 18 NH2 ARG 18 -4.978 6.443 -12.952 130 NH2 ARG 18 NH1 ARG 18 -3.265 7.028 -14.304 131 H ARG 18 HN ARG 18 -3.087 3.779 -11.856 132 HA ARG 18 HA ARG 18 -4.071 3.603 -9.209 133 1HB ARG 18 HB2 ARG 18 -4.068 6.205 -10.731 134 2HB ARG 18 HB1 ARG 18 -3.672 5.918 -9.038 135 1HG ARG 18 HG2 ARG 18 -1.513 5.950 -9.712 136 2HG ARG 18 HG1 ARG 18 -1.823 4.341 -10.357 137 1HD ARG 18 HD2 ARG 18 -1.862 6.984 -11.814 138 2HD ARG 18 HD1 ARG 18 -0.926 5.539 -12.193 139 HE ARG 18 HE ARG 18 -3.104 4.476 -12.874 140 1HH1 ARG 18 HH21 ARG 18 -5.340 5.887 -12.204 141 2HH1 ARG 18 HH22 ARG 18 -5.568 7.107 -13.411 142 1HH2 ARG 18 HH11 ARG 18 -2.314 6.919 -14.593 143 2HH2 ARG 18 HH12 ARG 18 -3.855 7.692 -14.764 144 NH1 ARG 19 NH1 ARG 19 -11.536 8.706 -12.387 145 NH2 ARG 19 NH2 ARG 19 -10.098 10.450 -12.331 146 H ARG 19 HN ARG 19 -5.729 4.285 -12.212 147 HA ARG 19 HA ARG 19 -8.108 5.413 -10.995 148 1HB ARG 19 HB2 ARG 19 -7.312 4.458 -13.707 149 2HB ARG 19 HB1 ARG 19 -9.038 4.520 -13.350 150 1HG ARG 19 HG2 ARG 19 -7.343 6.885 -12.631 151 2HG ARG 19 HG1 ARG 19 -7.789 6.645 -14.320 152 1HD ARG 19 HD2 ARG 19 -10.167 6.550 -13.695 153 2HD ARG 19 HD1 ARG 19 -9.738 6.762 -11.998 154 HE ARG 19 HE ARG 19 -8.743 8.888 -13.748 155 1HH1 ARG 19 HH11 ARG 19 -11.735 7.755 -12.624 156 2HH1 ARG 19 HH12 ARG 19 -12.240 9.272 -11.957 157 1HH2 ARG 19 HH21 ARG 19 -9.196 10.834 -12.525 158 2HH2 ARG 19 HH22 ARG 19 -10.801 11.016 -11.900 159 H ILE 20 HN ILE 20 -7.005 2.168 -11.779 160 HA ILE 20 HA ILE 20 -9.534 0.844 -11.530 161 HB ILE 20 HB ILE 20 -6.664 0.031 -11.477 162 1HG1 ILE 20 HG12 ILE 20 -8.956 -1.365 -12.832 163 2HG1 ILE 20 HG11 ILE 20 -8.364 0.172 -13.466 164 1HG2 ILE 20 HG22 ILE 20 -8.921 -1.606 -10.300 165 2HG2 ILE 20 HG21 ILE 20 -7.481 -2.356 -10.984 166 3HG2 ILE 20 HG23 ILE 20 -7.334 -1.274 -9.602 167 1HD1 ILE 20 HD11 ILE 20 -6.469 -2.092 -12.848 168 2HD1 ILE 20 HD13 ILE 20 -7.301 -1.996 -14.400 169 3HD1 ILE 20 HD12 ILE 20 -6.212 -0.701 -13.902 170 H VAL 21 HN VAL 21 -6.873 1.192 -9.152 171 HA VAL 21 HA VAL 21 -8.314 0.021 -6.996 172 HB VAL 21 HB VAL 21 -6.593 1.919 -5.851 173 1HG1 VAL 21 HG12 VAL 21 -6.119 -0.958 -6.692 174 2HG1 VAL 21 HG11 VAL 21 -5.151 -0.077 -5.510 175 3HG1 VAL 21 HG13 VAL 21 -6.847 -0.427 -5.176 176 1HG2 VAL 21 HG22 VAL 21 -5.833 2.387 -8.207 177 2HG2 VAL 21 HG21 VAL 21 -4.556 1.757 -7.167 178 3HG2 VAL 21 HG23 VAL 21 -5.346 0.697 -8.334 179 NH1 ARG 22 NH1 ARG 22 -6.399 8.699 -7.794 180 NH2 ARG 22 NH2 ARG 22 -7.132 10.695 -8.561 181 H ARG 22 HN ARG 22 -8.184 3.348 -8.182 182 HA ARG 22 HA ARG 22 -9.347 4.779 -6.098 183 1HB ARG 22 HB2 ARG 22 -9.291 4.996 -9.023 184 2HB ARG 22 HB1 ARG 22 -10.727 5.725 -8.305 185 1HG ARG 22 HG2 ARG 22 -9.313 7.046 -6.785 186 2HG ARG 22 HG1 ARG 22 -7.868 6.304 -7.472 187 1HD ARG 22 HD2 ARG 22 -8.101 7.415 -9.511 188 2HD ARG 22 HD1 ARG 22 -9.831 7.671 -9.288 189 HE ARG 22 HE ARG 22 -9.331 9.546 -7.857 190 1HH1 ARG 22 HH11 ARG 22 -6.586 7.758 -7.511 191 2HH1 ARG 22 HH12 ARG 22 -5.463 9.050 -7.774 192 1HH2 ARG 22 HH21 ARG 22 -7.881 11.284 -8.867 193 2HH2 ARG 22 HH22 ARG 22 -6.196 11.047 -8.541 194 H ASN 23 HN ASN 23 -11.158 3.063 -8.666 195 HA ASN 23 HA ASN 23 -13.734 3.430 -7.492 196 1HB ASN 23 HB2 ASN 23 -12.663 2.430 -9.829 197 2HB ASN 23 HB1 ASN 23 -13.304 1.005 -9.060 198 1HD2 ASN 23 HD22 ASN 23 -16.514 1.832 -10.265 199 2HD2 ASN 23 HD21 ASN 23 -15.304 0.653 -10.102 200 H LEU 24 HN LEU 24 -11.704 0.544 -7.745 201 HA LEU 24 HA LEU 24 -13.013 -1.331 -6.265 202 1HB LEU 24 HB2 LEU 24 -10.661 -1.441 -7.241 203 2HB LEU 24 HB1 LEU 24 -10.118 -0.680 -5.755 204 HG LEU 24 HG LEU 24 -11.825 -2.873 -5.043 205 1HD1 LEU 24 HD12 LEU 24 -9.673 -3.566 -7.061 206 2HD1 LEU 24 HD11 LEU 24 -10.526 -4.741 -6.060 207 3HD1 LEU 24 HD13 LEU 24 -11.410 -3.797 -7.258 208 1HD2 LEU 24 HD23 LEU 24 -8.940 -2.135 -4.667 209 2HD2 LEU 24 HD22 LEU 24 -10.180 -2.482 -3.468 210 3HD2 LEU 24 HD21 LEU 24 -9.418 -3.797 -4.353 211 H LEU 25 HN LEU 25 -10.651 0.819 -4.627 212 HA LEU 25 HA LEU 25 -11.397 0.260 -1.982 213 1HB LEU 25 HB2 LEU 25 -10.205 2.637 -3.351 214 2HB LEU 25 HB1 LEU 25 -10.761 2.837 -1.700 215 HG LEU 25 HG LEU 25 -9.064 0.466 -2.395 216 1HD1 LEU 25 HD11 LEU 25 -8.165 3.326 -2.036 217 2HD1 LEU 25 HD13 LEU 25 -7.107 1.973 -1.633 218 3HD1 LEU 25 HD12 LEU 25 -7.688 2.176 -3.286 219 1HD2 LEU 25 HD23 LEU 25 -10.305 1.169 -0.116 220 2HD2 LEU 25 HD22 LEU 25 -8.748 0.340 -0.114 221 3HD2 LEU 25 HD21 LEU 25 -8.816 2.090 0.097 222 H LYS 26 HN LYS 26 -12.792 2.725 -4.168 223 HA LYS 26 HA LYS 26 -14.661 3.776 -2.333 224 1HB LYS 26 HB2 LYS 26 -14.016 4.309 -4.930 225 2HB LYS 26 HB1 LYS 26 -15.590 3.536 -5.128 226 1HG LYS 26 HG2 LYS 26 -16.563 5.104 -3.481 227 2HG LYS 26 HG1 LYS 26 -14.991 5.886 -3.307 228 1HD LYS 26 HD2 LYS 26 -15.468 7.192 -5.072 229 2HD LYS 26 HD1 LYS 26 -15.547 5.753 -6.091 230 1HE LYS 26 HE2 LYS 26 -17.847 6.835 -4.437 231 2HE LYS 26 HE1 LYS 26 -17.656 7.064 -6.175 232 1HZ LYS 26 HZ2 LYS 26 -17.383 4.432 -6.002 233 2HZ LYS 26 HZ1 LYS 26 -18.431 4.692 -4.690 234 3HZ LYS 26 HZ3 LYS 26 -18.881 5.195 -6.245 235 H GLU 27 HN GLU 27 -14.838 0.958 -4.458 236 HA GLU 27 HA GLU 27 -17.540 0.304 -4.208 237 1HB GLU 27 HB2 GLU 27 -15.689 -0.885 -5.559 238 2HB GLU 27 HB1 GLU 27 -15.372 -1.786 -4.077 239 1HG GLU 27 HG2 GLU 27 -18.090 -1.994 -4.236 240 2HG GLU 27 HG1 GLU 27 -17.654 -1.976 -5.945 241 H LEU 28 HN LEU 28 -14.859 -0.395 -1.996 242 HA LEU 28 HA LEU 28 -16.487 -1.881 -0.126 243 1HB LEU 28 HB2 LEU 28 -13.722 -0.886 -0.271 244 2HB LEU 28 HB1 LEU 28 -14.384 -0.891 1.362 245 HG LEU 28 HG LEU 28 -13.241 -3.041 0.719 246 1HD1 LEU 28 HD12 LEU 28 -15.783 -2.650 1.969 247 2HD1 LEU 28 HD11 LEU 28 -15.856 -4.152 1.048 248 3HD1 LEU 28 HD13 LEU 28 -14.606 -3.927 2.270 249 1HD2 LEU 28 HD22 LEU 28 -14.551 -2.700 -1.674 250 2HD2 LEU 28 HD21 LEU 28 -13.840 -4.220 -1.132 251 3HD2 LEU 28 HD23 LEU 28 -15.558 -3.913 -0.883 252 H GLY 29 HN GLY 29 -15.015 1.359 0.190 253 1HA GLY 29 HA2 GLY 29 -17.174 2.895 0.806 254 2HA GLY 29 HA1 GLY 29 -16.875 2.030 2.307 255 H PHE 30 HN PHE 30 -14.498 3.263 -0.035 256 HA PHE 30 HA PHE 30 -13.478 5.092 2.115 257 1HB PHE 30 HB2 PHE 30 -11.891 3.374 0.181 258 2HB PHE 30 HB1 PHE 30 -11.182 4.629 1.179 259 HD1 PHE 30 HD1 PHE 30 -12.851 1.341 1.171 260 HD2 PHE 30 HD2 PHE 30 -10.925 4.336 3.541 261 HE1 PHE 30 HE1 PHE 30 -12.687 -0.267 3.055 262 HE2 PHE 30 HE2 PHE 30 -10.745 2.738 5.432 263 HZ PHE 30 HZ PHE 30 -11.632 0.433 5.187 264 H ASN 31 HN ASN 31 -12.594 7.107 1.316 265 HA ASN 31 HA ASN 31 -12.763 7.604 -1.594 266 1HB ASN 31 HB2 ASN 31 -15.050 8.048 -0.563 267 2HB ASN 31 HB1 ASN 31 -14.292 9.371 0.325 268 1HD2 ASN 31 HD22 ASN 31 -14.939 9.748 -3.697 269 2HD2 ASN 31 HD21 ASN 31 -15.139 8.241 -2.942 270 H ASN 32 HN ASN 32 -10.373 7.676 -0.756 271 HA ASN 32 HA ASN 32 -9.512 10.408 -0.820 272 1HB ASN 32 HB2 ASN 32 -10.326 9.694 1.720 273 2HB ASN 32 HB1 ASN 32 -8.598 9.358 1.776 274 1HD2 ASN 32 HD22 ASN 32 -7.901 12.889 0.789 275 2HD2 ASN 32 HD21 ASN 32 -7.547 11.364 0.134 276 H VAL 33 HN VAL 33 -8.030 9.694 -2.372 277 HA VAL 33 HA VAL 33 -5.718 8.201 -1.305 278 HB VAL 33 HB VAL 33 -6.934 6.350 -2.148 279 1HG1 VAL 33 HG13 VAL 33 -7.615 8.174 -4.461 280 2HG1 VAL 33 HG12 VAL 33 -7.944 6.442 -4.468 281 3HG1 VAL 33 HG11 VAL 33 -8.723 7.483 -3.276 282 1HG2 VAL 33 HG22 VAL 33 -4.538 6.790 -3.112 283 2HG2 VAL 33 HG21 VAL 33 -5.528 5.530 -3.843 284 3HG2 VAL 33 HG23 VAL 33 -5.390 7.106 -4.620 285 H GLU 34 HN GLU 34 -3.785 8.509 -2.580 286 HA GLU 34 HA GLU 34 -4.025 10.603 -4.714 287 1HB GLU 34 HB2 GLU 34 -2.132 10.374 -2.398 288 2HB GLU 34 HB1 GLU 34 -1.635 11.213 -3.862 289 1HG GLU 34 HG2 GLU 34 -4.229 11.855 -2.450 290 2HG GLU 34 HG1 GLU 34 -2.714 12.661 -2.041 291 H GLU 35 HN GLU 35 -1.407 10.560 -5.579 292 HA GLU 35 HA GLU 35 -0.719 7.730 -6.106 293 1HB GLU 35 HB2 GLU 35 -0.974 9.591 -8.457 294 2HB GLU 35 HB1 GLU 35 -0.959 7.829 -8.436 295 1HG GLU 35 HG2 GLU 35 -3.174 7.847 -7.302 296 2HG GLU 35 HG1 GLU 35 -3.194 9.608 -7.413 297 H ALA 36 HN ALA 36 1.433 7.438 -6.694 298 HA ALA 36 HA ALA 36 3.131 9.887 -6.936 299 1HB ALA 36 HB3 ALA 36 3.059 8.507 -4.613 300 2HB ALA 36 HB2 ALA 36 4.282 7.576 -5.475 301 3HB ALA 36 HB1 ALA 36 4.512 9.301 -5.210 302 H GLU 37 HN GLU 37 5.572 8.566 -7.241 303 HA GLU 37 HA GLU 37 5.121 6.581 -9.408 304 1HB GLU 37 HB2 GLU 37 6.407 7.819 -11.024 305 2HB GLU 37 HB1 GLU 37 5.161 8.902 -10.402 306 1HG GLU 37 HG2 GLU 37 6.949 9.625 -8.668 307 2HG GLU 37 HG1 GLU 37 8.107 8.868 -9.764 308 H ASP 38 HN ASP 38 6.849 7.427 -6.674 309 HA ASP 38 HA ASP 38 8.729 5.271 -7.067 310 1HB ASP 38 HB2 ASP 38 9.767 7.041 -8.521 311 2HB ASP 38 HB1 ASP 38 9.923 8.057 -7.089 312 H GLY 39 HN GLY 39 10.539 5.517 -5.240 313 1HA GLY 39 HA2 GLY 39 9.121 5.702 -2.745 314 2HA GLY 39 HA1 GLY 39 10.865 5.513 -2.915 315 H VAL 40 HN VAL 40 11.682 7.746 -4.187 316 HA VAL 40 HA VAL 40 11.711 9.740 -2.183 317 HB VAL 40 HB VAL 40 12.022 10.239 -5.158 318 1HG1 VAL 40 HG11 VAL 40 13.071 11.597 -2.661 319 2HG1 VAL 40 HG13 VAL 40 13.670 11.945 -4.282 320 3HG1 VAL 40 HG12 VAL 40 11.988 12.282 -3.872 321 1HG2 VAL 40 HG23 VAL 40 13.775 8.860 -3.159 322 2HG2 VAL 40 HG22 VAL 40 13.551 8.518 -4.875 323 3HG2 VAL 40 HG21 VAL 40 14.540 9.888 -4.371 324 H ASP 41 HN ASP 41 9.403 9.073 -4.733 325 HA ASP 41 HA ASP 41 8.046 11.646 -4.475 326 1HB ASP 41 HB2 ASP 41 8.117 9.967 -6.498 327 2HB ASP 41 HB1 ASP 41 6.801 9.173 -5.645 328 H ALA 42 HN ALA 42 7.515 8.299 -3.393 329 HA ALA 42 HA ALA 42 5.016 8.820 -2.081 330 1HB ALA 42 HB3 ALA 42 6.546 6.575 -2.590 331 2HB ALA 42 HB2 ALA 42 6.684 6.747 -0.840 332 3HB ALA 42 HB1 ALA 42 5.093 6.606 -1.589 333 H LEU 43 HN LEU 43 8.381 9.034 -1.012 334 HA LEU 43 HA LEU 43 7.744 9.492 1.766 335 1HB LEU 43 HB2 LEU 43 10.051 8.967 0.392 336 2HB LEU 43 HB1 LEU 43 10.232 10.693 0.702 337 HG LEU 43 HG LEU 43 9.516 10.059 3.147 338 1HD1 LEU 43 HD12 LEU 43 9.073 7.633 2.251 339 2HD1 LEU 43 HD11 LEU 43 10.821 7.453 2.394 340 3HD1 LEU 43 HD13 LEU 43 9.855 7.837 3.818 341 1HD2 LEU 43 HD23 LEU 43 12.214 9.389 1.934 342 2HD2 LEU 43 HD22 LEU 43 11.713 10.938 2.612 343 3HD2 LEU 43 HD21 LEU 43 11.921 9.540 3.667 344 H ASN 44 HN ASN 44 8.262 11.602 -1.034 345 HA ASN 44 HA ASN 44 8.028 14.034 0.589 346 1HB ASN 44 HB2 ASN 44 8.510 13.368 -2.271 347 2HB ASN 44 HB1 ASN 44 7.762 14.929 -1.936 348 1HD2 ASN 44 HD22 ASN 44 11.644 14.260 -0.820 349 2HD2 ASN 44 HD21 ASN 44 10.668 12.965 -1.319 350 H LYS 45 HN LYS 45 5.913 11.982 -1.296 351 HA LYS 45 HA LYS 45 3.767 13.985 -1.375 352 1HB LYS 45 HB2 LYS 45 4.221 12.172 -3.149 353 2HB LYS 45 HB1 LYS 45 3.472 11.049 -2.013 354 1HG LYS 45 HG2 LYS 45 1.522 11.675 -2.994 355 2HG LYS 45 HG1 LYS 45 1.678 13.133 -2.013 356 1HD LYS 45 HD2 LYS 45 2.915 14.230 -3.860 357 2HD LYS 45 HD1 LYS 45 2.708 12.781 -4.845 358 1HE LYS 45 HE2 LYS 45 0.617 13.387 -5.422 359 2HE LYS 45 HE1 LYS 45 0.169 13.640 -3.735 360 1HZ LYS 45 HZ1 LYS 45 1.473 15.795 -3.938 361 2HZ LYS 45 HZ3 LYS 45 1.403 15.558 -5.616 362 3HZ LYS 45 HZ2 LYS 45 -0.033 15.724 -4.723 363 H LEU 46 HN LEU 46 4.858 11.624 0.884 364 HA LEU 46 HA LEU 46 2.220 11.096 2.002 365 1HB LEU 46 HB2 LEU 46 4.897 10.126 2.454 366 2HB LEU 46 HB1 LEU 46 4.185 10.614 3.993 367 HG LEU 46 HG LEU 46 2.132 9.276 3.363 368 1HD1 LEU 46 HD12 LEU 46 3.405 9.235 0.879 369 2HD1 LEU 46 HD11 LEU 46 3.551 7.587 1.489 370 3HD1 LEU 46 HD13 LEU 46 1.958 8.331 1.333 371 1HD2 LEU 46 HD22 LEU 46 4.755 8.283 4.119 372 2HD2 LEU 46 HD21 LEU 46 3.166 7.879 4.773 373 3HD2 LEU 46 HD23 LEU 46 3.768 7.046 3.340 374 H GLN 47 HN GLN 47 4.533 13.625 2.271 375 HA GLN 47 HA GLN 47 3.822 14.561 4.904 376 1HB GLN 47 HB2 GLN 47 4.889 16.119 2.526 377 2HB GLN 47 HB1 GLN 47 4.882 16.673 4.200 378 1HG GLN 47 HG2 GLN 47 6.115 14.269 4.494 379 2HG GLN 47 HG1 GLN 47 6.655 14.706 2.872 380 1HE2 GLN 47 HE22 GLN 47 8.149 17.842 4.173 381 2HE2 GLN 47 HE21 GLN 47 7.027 17.422 2.971 382 H ALA 48 HN ALA 48 2.032 14.336 2.092 383 HA ALA 48 HA ALA 48 0.613 16.689 1.785 384 1HB ALA 48 HB2 ALA 48 0.314 14.306 0.690 385 2HB ALA 48 HB1 ALA 48 -0.937 14.127 1.919 386 3HB ALA 48 HB3 ALA 48 -1.041 15.433 0.740 387 H GLY 49 HN GLY 49 -0.721 14.048 3.825 388 1HA GLY 49 HA2 GLY 49 -1.317 16.043 5.933 389 2HA GLY 49 HA1 GLY 49 -2.704 15.257 5.180 390 H GLY 50 HN GLY 50 0.052 13.253 5.300 391 1HA GLY 50 HA2 GLY 50 0.726 11.613 6.903 392 2HA GLY 50 HA1 GLY 50 -0.579 12.151 7.964 393 OH TYR 51 OH TYR 51 -1.161 11.536 -0.681 394 H TYR 51 HN TYR 51 0.239 10.077 5.265 395 HA TYR 51 HA TYR 51 -2.443 9.196 4.699 396 1HB TYR 51 HB2 TYR 51 0.293 8.059 4.135 397 2HB TYR 51 HB1 TYR 51 -1.182 7.220 3.665 398 HD1 TYR 51 HD1 TYR 51 0.328 10.636 3.508 399 HD2 TYR 51 HD2 TYR 51 -2.076 7.664 1.556 400 HE1 TYR 51 HE1 TYR 51 0.154 12.093 1.523 401 HE2 TYR 51 HE2 TYR 51 -2.261 9.128 -0.433 402 HH TYR 51 HH TYR 51 -1.792 12.231 -0.479 403 H GLY 52 HN GLY 52 -3.570 7.470 5.533 404 1HA GLY 52 HA2 GLY 52 -2.486 6.306 8.017 405 2HA GLY 52 HA1 GLY 52 -4.152 6.205 7.499 406 H PHE 53 HN PHE 53 -2.588 5.654 4.752 407 HA PHE 53 HA PHE 53 -1.818 2.835 5.146 408 1HB PHE 53 HB2 PHE 53 -4.467 3.419 4.665 409 2HB PHE 53 HB1 PHE 53 -3.859 3.175 3.041 410 HD1 PHE 53 HD2 PHE 53 -1.726 1.042 3.721 411 HD2 PHE 53 HD1 PHE 53 -5.822 1.520 4.880 412 HE1 PHE 53 HE2 PHE 53 -1.928 -1.388 4.041 413 HE2 PHE 53 HE1 PHE 53 -6.032 -0.902 5.202 414 HZ PHE 53 HZ PHE 53 -4.068 -2.379 4.789 415 H VAL 54 HN VAL 54 -0.432 2.171 3.399 416 HA VAL 54 HA VAL 54 -0.275 4.052 1.074 417 HB VAL 54 HB VAL 54 2.015 3.095 2.793 418 1HG1 VAL 54 HG12 VAL 54 1.949 3.921 -0.102 419 2HG1 VAL 54 HG11 VAL 54 3.351 4.324 0.889 420 3HG1 VAL 54 HG13 VAL 54 2.888 2.637 0.662 421 1HG2 VAL 54 HG23 VAL 54 0.556 5.437 2.765 422 2HG2 VAL 54 HG22 VAL 54 2.209 5.296 3.358 423 3HG2 VAL 54 HG21 VAL 54 1.909 5.835 1.707 424 H ILE 55 HN ILE 55 -0.661 2.958 -0.711 425 HA ILE 55 HA ILE 55 -0.081 0.038 -0.818 426 HB ILE 55 HB ILE 55 -1.684 1.749 -2.747 427 1HG1 ILE 55 HG12 ILE 55 -2.720 -0.090 -0.572 428 2HG1 ILE 55 HG11 ILE 55 -2.617 1.660 -0.396 429 1HG2 ILE 55 HG23 ILE 55 -1.463 -1.246 -2.345 430 2HG2 ILE 55 HG22 ILE 55 -2.576 -0.457 -3.461 431 3HG2 ILE 55 HG21 ILE 55 -0.835 -0.334 -3.715 432 1HD1 ILE 55 HD13 ILE 55 -4.067 0.407 -2.730 433 2HD1 ILE 55 HD12 ILE 55 -4.873 0.675 -1.187 434 3HD1 ILE 55 HD11 ILE 55 -4.223 2.041 -2.089 435 H SER 56 HN SER 56 1.078 -0.800 -2.684 436 HA SER 56 HA SER 56 2.215 0.938 -4.693 437 1HB SER 56 HB2 SER 56 4.428 1.182 -3.952 438 2HB SER 56 HB1 SER 56 3.507 1.445 -2.473 439 HG SER 56 HG SER 56 4.752 -0.114 -1.772 440 H ASP 57 HN ASP 57 3.853 -0.329 -6.037 441 HA ASP 57 HA ASP 57 2.887 -3.066 -6.330 442 1HB ASP 57 HB2 ASP 57 4.848 -3.070 -8.082 443 2HB ASP 57 HB1 ASP 57 3.415 -2.091 -8.395 444 CH2 TRP 58 CH2 TRP 58 9.634 -6.509 -0.737 445 H TRP 58 HN TRP 58 6.336 -2.414 -6.633 446 HA TRP 58 HA TRP 58 7.057 -3.546 -4.077 447 1HB TRP 58 HB2 TRP 58 6.268 -5.616 -5.115 448 2HB TRP 58 HB1 TRP 58 7.301 -5.331 -6.516 449 HD1 TRP 58 HD1 TRP 58 9.446 -6.657 -6.436 450 HE1 TRP 58 HE1 TRP 58 11.020 -7.550 -4.604 451 HE3 TRP 58 HE3 TRP 58 7.020 -4.952 -2.269 452 HZ2 TRP 58 HZ2 TRP 58 11.225 -7.545 -1.752 453 HZ3 TRP 58 HZ3 TRP 58 7.927 -5.411 -0.021 454 HH2 TRP 58 HH2 TRP 58 10.024 -6.709 0.252 455 H ASN 59 HN ASN 59 8.355 -3.486 -7.446 456 HA ASN 59 HA ASN 59 10.315 -1.493 -6.758 457 1HB ASN 59 HB2 ASN 59 12.337 -2.980 -6.954 458 2HB ASN 59 HB1 ASN 59 11.396 -3.234 -5.486 459 1HD2 ASN 59 HD22 ASN 59 10.366 -6.077 -8.203 460 2HD2 ASN 59 HD21 ASN 59 10.051 -4.438 -8.499 461 H MET 60 HN MET 60 9.066 -0.987 -8.840 462 HA MET 60 HA MET 60 10.077 -2.458 -11.194 463 1HB MET 60 HB2 MET 60 7.701 -0.988 -10.620 464 2HB MET 60 HB1 MET 60 8.523 -0.192 -11.964 465 1HG MET 60 HG2 MET 60 7.031 -1.938 -12.818 466 2HG MET 60 HG1 MET 60 8.710 -2.384 -13.119 467 1HE MET 60 HE2 MET 60 5.833 -2.579 -10.535 468 2HE MET 60 HE1 MET 60 5.405 -3.516 -11.964 469 3HE MET 60 HE3 MET 60 5.629 -4.324 -10.406 470 HA PRO 61 HA PRO 61 11.785 1.980 -12.007 471 1HB PRO 61 HB2 PRO 61 12.103 3.334 -9.487 472 2HB PRO 61 HB1 PRO 61 11.095 3.814 -10.859 473 1HG PRO 61 HG2 PRO 61 10.202 2.834 -8.332 474 2HG PRO 61 HG1 PRO 61 9.211 3.183 -9.754 475 1HD PRO 61 HD2 PRO 61 9.991 0.600 -8.664 476 2HD PRO 61 HD1 PRO 61 8.817 0.951 -9.946 477 H ASN 62 HN ASN 62 13.842 3.227 -10.522 478 HA ASN 62 HA ASN 62 15.817 1.090 -10.431 479 1HB ASN 62 HB2 ASN 62 17.397 2.904 -9.888 480 2HB ASN 62 HB1 ASN 62 16.378 3.355 -11.256 481 1HD2 ASN 62 HD22 ASN 62 14.383 5.634 -9.179 482 2HD2 ASN 62 HD21 ASN 62 14.131 4.416 -10.333 483 H MET 63 HN MET 63 14.218 3.177 -8.032 484 HA MET 63 HA MET 63 15.705 1.990 -5.811 485 1HB MET 63 HB2 MET 63 13.338 3.869 -5.969 486 2HB MET 63 HB1 MET 63 13.982 3.282 -4.435 487 1HG MET 63 HG2 MET 63 15.956 4.388 -6.366 488 2HG MET 63 HG1 MET 63 14.866 5.545 -5.603 489 1HE MET 63 HE2 MET 63 14.750 6.163 -3.249 490 2HE MET 63 HE1 MET 63 16.269 6.247 -2.361 491 3HE MET 63 HE3 MET 63 16.166 6.886 -4.007 492 H ASP 64 HN ASP 64 14.921 0.445 -4.347 493 HA ASP 64 HA ASP 64 12.761 -1.269 -5.366 494 1HB ASP 64 HB2 ASP 64 13.451 -2.364 -2.966 495 2HB ASP 64 HB1 ASP 64 14.301 -2.703 -4.474 496 H GLY 65 HN GLY 65 10.783 -1.637 -4.274 497 1HA GLY 65 HA2 GLY 65 9.676 0.586 -2.861 498 2HA GLY 65 HA1 GLY 65 8.920 -0.980 -2.998 499 H LEU 66 HN LEU 66 11.637 -2.030 -1.799 500 HA LEU 66 HA LEU 66 10.630 -2.182 0.918 501 1HB LEU 66 HB2 LEU 66 12.463 -3.637 -0.638 502 2HB LEU 66 HB1 LEU 66 13.414 -2.958 0.684 503 HG LEU 66 HG LEU 66 10.840 -4.533 0.992 504 1HD1 LEU 66 HD11 LEU 66 13.718 -5.237 1.646 505 2HD1 LEU 66 HD13 LEU 66 12.312 -6.236 2.014 506 3HD1 LEU 66 HD12 LEU 66 12.761 -5.929 0.335 507 1HD2 LEU 66 HD22 LEU 66 12.303 -2.740 2.762 508 2HD2 LEU 66 HD21 LEU 66 10.735 -3.510 3.005 509 3HD2 LEU 66 HD23 LEU 66 12.215 -4.369 3.430 510 H GLU 67 HN GLU 67 13.921 -1.126 -0.067 511 HA GLU 67 HA GLU 67 14.556 0.313 2.233 512 1HB GLU 67 HB2 GLU 67 16.004 -0.053 0.139 513 2HB GLU 67 HB1 GLU 67 15.204 1.370 -0.529 514 1HG GLU 67 HG2 GLU 67 15.922 2.675 1.468 515 2HG GLU 67 HG1 GLU 67 16.792 1.256 2.053 516 H LEU 68 HN LEU 68 12.339 1.092 -0.300 517 HA LEU 68 HA LEU 68 11.966 3.892 0.301 518 1HB LEU 68 HB2 LEU 68 11.002 3.527 -1.732 519 2HB LEU 68 HB1 LEU 68 10.824 1.821 -1.413 520 HG LEU 68 HG LEU 68 8.740 2.223 -0.175 521 1HD1 LEU 68 HD12 LEU 68 9.762 4.942 -0.160 522 2HD1 LEU 68 HD11 LEU 68 8.124 4.895 -0.811 523 3HD1 LEU 68 HD13 LEU 68 8.451 4.245 0.793 524 1HD2 LEU 68 HD23 LEU 68 9.158 2.867 -2.969 525 2HD2 LEU 68 HD22 LEU 68 7.807 2.027 -2.211 526 3HD2 LEU 68 HD21 LEU 68 7.801 3.786 -2.318 527 H LEU 69 HN LEU 69 10.258 0.906 1.190 528 HA LEU 69 HA LEU 69 8.391 2.243 2.961 529 1HB LEU 69 HB2 LEU 69 7.966 0.062 1.810 530 2HB LEU 69 HB1 LEU 69 9.184 -0.682 2.836 531 HG LEU 69 HG LEU 69 7.074 0.856 4.253 532 1HD1 LEU 69 HD11 LEU 69 6.546 -1.700 2.729 533 2HD1 LEU 69 HD13 LEU 69 5.516 -1.110 4.033 534 3HD1 LEU 69 HD12 LEU 69 5.708 -0.159 2.559 535 1HD2 LEU 69 HD21 LEU 69 9.005 -0.803 5.088 536 2HD2 LEU 69 HD23 LEU 69 7.463 -0.688 5.913 537 3HD2 LEU 69 HD22 LEU 69 7.750 -2.001 4.778 538 H LYS 70 HN LYS 70 10.961 -0.133 3.651 539 HA LYS 70 HA LYS 70 11.128 0.082 6.402 540 1HB LYS 70 HB2 LYS 70 12.602 -1.307 4.808 541 2HB LYS 70 HB1 LYS 70 13.632 0.121 4.710 542 1HG LYS 70 HG2 LYS 70 13.519 0.055 7.329 543 2HG LYS 70 HG1 LYS 70 13.055 -1.629 7.083 544 1HD LYS 70 HD2 LYS 70 15.565 -0.305 6.014 545 2HD LYS 70 HD1 LYS 70 15.491 -1.454 7.349 546 1HE LYS 70 HE2 LYS 70 14.223 -2.921 5.499 547 2HE LYS 70 HE1 LYS 70 15.206 -1.932 4.419 548 1HZ LYS 70 HZ3 LYS 70 17.168 -2.580 5.678 549 2HZ LYS 70 HZ2 LYS 70 16.215 -3.549 6.697 550 3HZ LYS 70 HZ1 LYS 70 16.373 -3.940 5.051 551 H THR 71 HN THR 71 12.207 2.446 4.018 552 HA THR 71 HA THR 71 13.725 4.108 5.798 553 HB THR 71 HB THR 71 12.250 4.638 3.215 554 HG1 THR 71 HG1 THR 71 14.212 4.504 2.400 555 1HG2 THR 71 HG21 THR 71 13.599 6.588 5.076 556 2HG2 THR 71 HG23 THR 71 13.522 6.888 3.341 557 3HG2 THR 71 HG22 THR 71 12.035 6.736 4.275 558 H ILE 72 HN ILE 72 10.285 4.039 4.905 559 HA ILE 72 HA ILE 72 9.445 6.338 6.349 560 HB ILE 72 HB ILE 72 7.874 3.758 6.061 561 1HG1 ILE 72 HG12 ILE 72 7.960 6.076 4.106 562 2HG1 ILE 72 HG11 ILE 72 8.896 4.601 3.890 563 1HG2 ILE 72 HG23 ILE 72 7.001 5.624 7.545 564 2HG2 ILE 72 HG22 ILE 72 6.920 6.632 6.101 565 3HG2 ILE 72 HG21 ILE 72 5.936 5.173 6.214 566 1HD1 ILE 72 HD13 ILE 72 6.678 3.332 4.119 567 2HD1 ILE 72 HD12 ILE 72 5.891 4.898 3.934 568 3HD1 ILE 72 HD11 ILE 72 6.901 4.260 2.637 569 NH1 ARG 73 NH1 ARG 73 9.458 -0.910 13.362 570 NH2 ARG 73 NH2 ARG 73 7.969 -2.600 13.171 571 H ARG 73 HN ARG 73 9.944 2.975 7.350 572 HA ARG 73 HA ARG 73 8.990 3.339 10.047 573 1HB ARG 73 HB2 ARG 73 9.776 1.178 8.523 574 2HB ARG 73 HB1 ARG 73 11.093 1.319 9.688 575 1HG ARG 73 HG2 ARG 73 9.431 1.362 11.533 576 2HG ARG 73 HG1 ARG 73 8.140 1.147 10.350 577 1HD ARG 73 HD2 ARG 73 9.355 -0.961 9.593 578 2HD ARG 73 HD1 ARG 73 10.363 -0.787 11.030 579 HE ARG 73 HE ARG 73 7.442 -1.363 11.044 580 1HH1 ARG 73 HH11 ARG 73 9.932 -0.125 12.964 581 2HH1 ARG 73 HH12 ARG 73 9.653 -1.188 14.302 582 1HH2 ARG 73 HH21 ARG 73 7.301 -3.109 12.627 583 2HH2 ARG 73 HH22 ARG 73 8.163 -2.878 14.112 584 H ALA 74 HN ALA 74 11.615 4.685 8.522 585 HA ALA 74 HA ALA 74 13.660 4.442 10.527 586 1HB ALA 74 HB3 ALA 74 14.044 5.240 8.178 587 2HB ALA 74 HB2 ALA 74 13.220 6.740 8.599 588 3HB ALA 74 HB1 ALA 74 14.731 6.310 9.400 589 H ASP 75 HN ASP 75 10.854 6.517 10.183 590 HA ASP 75 HA ASP 75 11.678 8.442 12.189 591 1HB ASP 75 HB2 ASP 75 9.907 8.785 10.376 592 2HB ASP 75 HB1 ASP 75 8.834 7.808 11.379 593 H GLY 76 HN GLY 76 11.255 8.423 14.392 594 1HA GLY 76 HA2 GLY 76 10.340 5.833 15.509 595 2HA GLY 76 HA1 GLY 76 11.169 7.105 16.406 596 H ALA 77 HN ALA 77 8.060 6.260 14.910 597 HA ALA 77 HA ALA 77 6.578 7.397 17.109 598 1HB ALA 77 HB1 ALA 77 6.529 8.927 14.488 599 2HB ALA 77 HB3 ALA 77 5.487 9.239 15.877 600 3HB ALA 77 HB2 ALA 77 7.226 9.506 16.001 601 H MET 78 HN MET 78 5.626 7.544 13.694 602 HA MET 78 HA MET 78 3.488 5.580 14.282 603 1HB MET 78 HB2 MET 78 3.645 6.622 11.543 604 2HB MET 78 HB1 MET 78 2.295 6.648 12.677 605 1HG MET 78 HG2 MET 78 3.466 8.525 13.895 606 2HG MET 78 HG1 MET 78 4.636 8.569 12.576 607 1HE MET 78 HE2 MET 78 0.957 8.623 13.568 608 2HE MET 78 HE1 MET 78 1.627 10.210 13.937 609 3HE MET 78 HE3 MET 78 0.354 10.045 12.720 610 H SER 79 HN SER 79 6.581 5.194 13.584 611 HA SER 79 HA SER 79 7.835 3.583 12.419 612 1HB SER 79 HB2 SER 79 5.202 2.076 12.456 613 2HB SER 79 HB1 SER 79 6.807 1.378 12.262 614 HG SER 79 HG SER 79 6.419 1.179 14.385 615 H ALA 80 HN ALA 80 5.562 1.918 10.667 616 HA ALA 80 HA ALA 80 5.846 3.719 8.287 617 1HB ALA 80 HB3 ALA 80 6.537 0.854 8.646 618 2HB ALA 80 HB2 ALA 80 5.707 1.270 7.147 619 3HB ALA 80 HB1 ALA 80 7.234 2.052 7.555 620 H LEU 81 HN LEU 81 3.714 2.419 10.407 621 HA LEU 81 HA LEU 81 1.459 1.973 10.393 622 1HB LEU 81 HB2 LEU 81 2.084 4.241 8.759 623 2HB LEU 81 HB1 LEU 81 0.759 3.384 8.024 624 HG LEU 81 HG LEU 81 -0.177 3.411 10.560 625 1HD1 LEU 81 HD12 LEU 81 2.095 4.669 11.064 626 2HD1 LEU 81 HD11 LEU 81 1.189 6.066 10.489 627 3HD1 LEU 81 HD13 LEU 81 0.602 5.143 11.873 628 1HD2 LEU 81 HD23 LEU 81 -0.347 5.384 8.332 629 2HD2 LEU 81 HD22 LEU 81 -1.622 4.435 9.095 630 3HD2 LEU 81 HD21 LEU 81 -0.995 5.870 9.897 631 HA PRO 82 HA PRO 82 0.461 -1.352 7.719 632 1HB PRO 82 HB2 PRO 82 -2.096 -0.501 6.727 633 2HB PRO 82 HB1 PRO 82 -1.756 -1.668 8.002 634 1HG PRO 82 HG2 PRO 82 -2.825 0.969 8.309 635 2HG PRO 82 HG1 PRO 82 -2.397 -0.171 9.592 636 1HD PRO 82 HD2 PRO 82 -1.019 2.234 8.803 637 2HD PRO 82 HD1 PRO 82 -0.645 1.153 10.155 638 H VAL 83 HN VAL 83 0.968 -1.947 5.708 639 HA VAL 83 HA VAL 83 0.524 -0.064 3.433 640 HB VAL 83 HB VAL 83 3.056 -1.447 4.291 641 1HG1 VAL 83 HG11 VAL 83 2.070 -1.139 1.424 642 2HG1 VAL 83 HG13 VAL 83 3.786 -1.191 1.806 643 3HG1 VAL 83 HG12 VAL 83 2.768 -2.572 2.181 644 1HG2 VAL 83 HG22 VAL 83 2.325 1.155 4.169 645 2HG2 VAL 83 HG21 VAL 83 3.984 0.634 3.902 646 3HG2 VAL 83 HG23 VAL 83 2.935 0.960 2.526 647 H LEU 84 HN LEU 84 -0.240 -1.093 1.616 648 HA LEU 84 HA LEU 84 -0.487 -4.058 1.819 649 1HB LEU 84 HB2 LEU 84 -2.665 -2.823 2.015 650 2HB LEU 84 HB1 LEU 84 -2.382 -2.167 0.407 651 HG LEU 84 HG LEU 84 -2.301 -4.469 -0.508 652 1HD1 LEU 84 HD12 LEU 84 -2.584 -5.128 2.394 653 2HD1 LEU 84 HD11 LEU 84 -3.410 -6.167 1.234 654 3HD1 LEU 84 HD13 LEU 84 -1.662 -5.958 1.142 655 1HD2 LEU 84 HD23 LEU 84 -4.651 -3.299 0.871 656 2HD2 LEU 84 HD22 LEU 84 -4.446 -3.741 -0.822 657 3HD2 LEU 84 HD21 LEU 84 -4.812 -4.984 0.376 658 H MET 85 HN MET 85 1.742 -3.734 0.790 659 HA MET 85 HA MET 85 2.004 -2.721 -1.848 660 1HB MET 85 HB2 MET 85 4.094 -3.954 -1.947 661 2HB MET 85 HB1 MET 85 3.909 -3.305 -0.317 662 1HG MET 85 HG2 MET 85 4.470 -5.495 0.187 663 2HG MET 85 HG1 MET 85 2.714 -5.638 0.109 664 1HE MET 85 HE3 MET 85 4.873 -7.837 -0.070 665 2HE MET 85 HE2 MET 85 5.233 -8.507 -1.659 666 3HE MET 85 HE1 MET 85 6.028 -7.025 -1.136 667 H VAL 86 HN VAL 86 1.370 -3.627 -3.820 668 HA VAL 86 HA VAL 86 0.238 -6.369 -3.737 669 HB VAL 86 HB VAL 86 -1.363 -5.688 -5.234 670 1HG1 VAL 86 HG13 VAL 86 -1.183 -4.227 -3.052 671 2HG1 VAL 86 HG12 VAL 86 -0.827 -2.939 -4.199 672 3HG1 VAL 86 HG11 VAL 86 -2.355 -3.807 -4.296 673 1HG2 VAL 86 HG23 VAL 86 0.631 -3.629 -6.142 674 2HG2 VAL 86 HG22 VAL 86 -0.064 -4.951 -7.078 675 3HG2 VAL 86 HG21 VAL 86 -1.059 -3.568 -6.633 676 H THR 87 HN THR 87 1.005 -7.943 -5.062 677 HA THR 87 HA THR 87 2.723 -7.168 -7.351 678 HB THR 87 HB THR 87 4.176 -7.372 -5.239 679 HG1 THR 87 HG1 THR 87 5.046 -9.317 -6.986 680 1HG2 THR 87 HG23 THR 87 2.763 -9.567 -4.702 681 2HG2 THR 87 HG22 THR 87 4.041 -10.323 -5.650 682 3HG2 THR 87 HG21 THR 87 4.444 -9.407 -4.197 683 H ALA 88 HN ALA 88 3.091 -8.988 -8.810 684 HA ALA 88 HA ALA 88 0.867 -10.911 -8.711 685 1HB ALA 88 HB1 ALA 88 2.875 -10.036 -10.743 686 2HB ALA 88 HB3 ALA 88 2.174 -11.645 -10.923 687 3HB ALA 88 HB2 ALA 88 1.128 -10.223 -10.900 688 H GLU 89 HN GLU 89 1.235 -13.234 -8.905 689 HA GLU 89 HA GLU 89 2.229 -15.235 -8.228 690 1HB GLU 89 HB2 GLU 89 3.891 -14.429 -9.998 691 2HB GLU 89 HB1 GLU 89 4.883 -13.844 -8.664 692 1HG GLU 89 HG2 GLU 89 3.908 -16.707 -8.836 693 2HG GLU 89 HG1 GLU 89 5.450 -16.179 -9.505 694 H ALA 90 HN ALA 90 4.751 -13.005 -7.039 695 HA ALA 90 HA ALA 90 5.316 -12.422 -4.821 696 1HB ALA 90 HB1 ALA 90 2.670 -12.805 -4.530 697 2HB ALA 90 HB3 ALA 90 3.249 -14.184 -3.599 698 3HB ALA 90 HB2 ALA 90 3.741 -12.551 -3.156 699 H LYS 91 HN LYS 91 7.261 -13.558 -4.876 700 HA LYS 91 HA LYS 91 7.559 -16.373 -4.867 701 1HB LYS 91 HB2 LYS 91 9.332 -14.133 -3.875 702 2HB LYS 91 HB1 LYS 91 9.837 -15.818 -3.843 703 1HG LYS 91 HG2 LYS 91 8.692 -15.031 -6.420 704 2HG LYS 91 HG1 LYS 91 10.130 -14.102 -5.997 705 1HD LYS 91 HD2 LYS 91 10.031 -17.118 -5.792 706 2HD LYS 91 HD1 LYS 91 10.544 -16.286 -7.260 707 1HE LYS 91 HE2 LYS 91 12.564 -15.785 -6.382 708 2HE LYS 91 HE1 LYS 91 11.851 -15.221 -4.871 709 1HZ LYS 91 HZ1 LYS 91 11.503 -17.668 -4.367 710 2HZ LYS 91 HZ3 LYS 91 12.581 -17.981 -5.638 711 3HZ LYS 91 HZ2 LYS 91 13.096 -17.086 -4.288 712 H LYS 92 HN LYS 92 9.179 -15.182 -2.129 713 HA LYS 92 HA LYS 92 7.129 -15.815 -0.159 714 1HB LYS 92 HB2 LYS 92 8.104 -18.058 -1.159 715 2HB LYS 92 HB1 LYS 92 9.471 -17.694 -0.108 716 1HG LYS 92 HG2 LYS 92 7.632 -17.310 1.717 717 2HG LYS 92 HG1 LYS 92 6.618 -18.273 0.639 718 1HD LYS 92 HD2 LYS 92 8.767 -19.854 0.632 719 2HD LYS 92 HD1 LYS 92 9.036 -19.084 2.195 720 1HE LYS 92 HE2 LYS 92 6.487 -19.636 2.574 721 2HE LYS 92 HE1 LYS 92 6.766 -20.839 1.315 722 1HZ LYS 92 HZ3 LYS 92 8.913 -21.030 3.034 723 2HZ LYS 92 HZ2 LYS 92 7.551 -20.889 4.039 724 3HZ LYS 92 HZ1 LYS 92 7.630 -22.127 2.879 725 H GLU 93 HN GLU 93 10.690 -16.212 -0.242 726 HA GLU 93 HA GLU 93 11.206 -15.019 2.233 727 1HB GLU 93 HB2 GLU 93 12.860 -15.119 -0.296 728 2HB GLU 93 HB1 GLU 93 13.482 -14.457 1.215 729 1HG GLU 93 HG2 GLU 93 12.936 -16.615 2.343 730 2HG GLU 93 HG1 GLU 93 12.440 -17.271 0.783 731 H ASN 94 HN ASN 94 10.096 -13.554 -0.658 732 HA ASN 94 HA ASN 94 11.142 -10.888 -0.110 733 1HB ASN 94 HB2 ASN 94 9.225 -12.091 -2.082 734 2HB ASN 94 HB1 ASN 94 9.245 -10.343 -1.862 735 1HD2 ASN 94 HD22 ASN 94 12.822 -10.241 -2.874 736 2HD2 ASN 94 HD21 ASN 94 11.921 -9.748 -1.521 737 H ILE 95 HN ILE 95 8.238 -12.699 0.663 738 HA ILE 95 HA ILE 95 6.764 -10.341 1.574 739 HB ILE 95 HB ILE 95 6.129 -13.207 2.280 740 1HG1 ILE 95 HG12 ILE 95 6.505 -13.277 -0.092 741 2HG1 ILE 95 HG11 ILE 95 4.760 -13.169 0.134 742 1HG2 ILE 95 HG21 ILE 95 4.913 -10.862 2.966 743 2HG2 ILE 95 HG23 ILE 95 4.052 -11.259 1.479 744 3HG2 ILE 95 HG22 ILE 95 4.066 -12.403 2.821 745 1HD1 ILE 95 HD12 ILE 95 5.093 -10.609 -0.056 746 2HD1 ILE 95 HD11 ILE 95 6.676 -11.004 -0.725 747 3HD1 ILE 95 HD13 ILE 95 5.212 -11.560 -1.535 748 H ILE 96 HN ILE 96 9.160 -12.411 2.894 749 HA ILE 96 HA ILE 96 8.342 -12.034 5.681 750 HB ILE 96 HB ILE 96 10.681 -13.320 4.299 751 1HG1 ILE 96 HG12 ILE 96 8.843 -14.342 6.479 752 2HG1 ILE 96 HG11 ILE 96 8.452 -14.473 4.764 753 1HG2 ILE 96 HG22 ILE 96 10.495 -12.408 7.164 754 2HG2 ILE 96 HG21 ILE 96 11.426 -13.843 6.739 755 3HG2 ILE 96 HG23 ILE 96 11.857 -12.278 6.051 756 1HD1 ILE 96 HD12 ILE 96 10.608 -15.681 4.405 757 2HD1 ILE 96 HD11 ILE 96 10.889 -15.632 6.146 758 3HD1 ILE 96 HD13 ILE 96 9.521 -16.539 5.498 759 H ALA 97 HN ALA 97 11.339 -11.131 3.959 760 HA ALA 97 HA ALA 97 12.353 -9.307 5.794 761 1HB ALA 97 HB1 ALA 97 12.377 -9.206 2.770 762 2HB ALA 97 HB3 ALA 97 13.293 -8.078 3.769 763 3HB ALA 97 HB2 ALA 97 13.647 -9.805 3.836 764 H ALA 98 HN ALA 98 10.011 -8.616 3.211 765 HA ALA 98 HA ALA 98 9.657 -5.858 3.762 766 1HB ALA 98 HB2 ALA 98 8.623 -7.596 1.940 767 2HB ALA 98 HB1 ALA 98 7.229 -7.367 2.996 768 3HB ALA 98 HB3 ALA 98 7.985 -5.979 2.218 769 H ALA 99 HN ALA 99 7.736 -8.638 4.968 770 HA ALA 99 HA ALA 99 5.967 -7.224 6.599 771 1HB ALA 99 HB2 ALA 99 5.823 -9.661 6.210 772 2HB ALA 99 HB1 ALA 99 7.261 -9.898 7.204 773 3HB ALA 99 HB3 ALA 99 5.776 -9.287 7.933 774 H GLN 100 HN GLN 100 9.191 -8.483 7.492 775 HA GLN 100 HA GLN 100 9.289 -7.697 10.165 776 1HB GLN 100 HB2 GLN 100 11.133 -8.891 9.043 777 2HB GLN 100 HB1 GLN 100 11.506 -7.443 8.107 778 1HG GLN 100 HG2 GLN 100 12.428 -6.344 9.910 779 2HG GLN 100 HG1 GLN 100 11.387 -7.164 11.075 780 1HE2 GLN 100 HE22 GLN 100 14.218 -9.754 9.708 781 2HE2 GLN 100 HE21 GLN 100 13.091 -9.060 8.645 782 H ALA 101 HN ALA 101 9.150 -5.740 7.333 783 HA ALA 101 HA ALA 101 9.949 -3.297 8.812 784 1HB ALA 101 HB2 ALA 101 10.723 -3.742 6.443 785 2HB ALA 101 HB1 ALA 101 9.053 -3.538 5.926 786 3HB ALA 101 HB3 ALA 101 9.917 -2.194 6.670 787 H GLY 102 HN GLY 102 7.716 -2.482 6.474 788 1HA GLY 102 HA2 GLY 102 5.452 -2.483 8.375 789 2HA GLY 102 HA1 GLY 102 5.836 -1.044 7.453 790 H ALA 103 HN ALA 103 6.611 -3.488 5.468 791 HA ALA 103 HA ALA 103 4.454 -3.179 3.632 792 1HB ALA 103 HB2 ALA 103 6.779 -4.982 3.934 793 2HB ALA 103 HB1 ALA 103 5.456 -5.602 2.947 794 3HB ALA 103 HB3 ALA 103 6.237 -4.078 2.520 795 H SER 104 HN SER 104 4.123 -4.241 6.548 796 HA SER 104 HA SER 104 3.215 -6.685 7.045 797 1HB SER 104 HB2 SER 104 2.112 -4.038 7.752 798 2HB SER 104 HB1 SER 104 1.024 -5.400 8.008 799 HG SER 104 HG SER 104 3.418 -4.747 9.247 800 H GLY 105 HN GLY 105 1.425 -4.569 4.786 801 1HA GLY 105 HA2 GLY 105 -0.573 -6.759 4.442 802 2HA GLY 105 HA1 GLY 105 -0.764 -5.113 3.863 803 OH TYR 106 OH TYR 106 1.326 -13.367 -2.524 804 H TYR 106 HN TYR 106 -0.524 -8.045 2.658 805 HA TYR 106 HA TYR 106 0.881 -7.087 0.234 806 1HB TYR 106 HB2 TYR 106 2.694 -8.346 0.747 807 2HB TYR 106 HB1 TYR 106 1.829 -9.238 1.995 808 HD1 TYR 106 HD1 TYR 106 1.654 -8.884 -1.778 809 HD2 TYR 106 HD2 TYR 106 1.621 -11.526 1.619 810 HE1 TYR 106 HE1 TYR 106 1.461 -10.844 -3.281 811 HE2 TYR 106 HE2 TYR 106 1.434 -13.469 0.107 812 HH TYR 106 HH TYR 106 1.017 -14.113 -2.005 813 H VAL 107 HN VAL 107 -0.727 -7.182 -1.199 814 HA VAL 107 HA VAL 107 -2.537 -9.568 -1.183 815 HB VAL 107 HB VAL 107 -3.700 -7.390 -1.023 816 1HG1 VAL 107 HG13 VAL 107 -1.662 -6.450 -2.565 817 2HG1 VAL 107 HG12 VAL 107 -2.925 -6.614 -3.775 818 3HG1 VAL 107 HG11 VAL 107 -3.179 -5.599 -2.359 819 1HG2 VAL 107 HG23 VAL 107 -4.585 -9.356 -2.396 820 2HG2 VAL 107 HG22 VAL 107 -5.248 -7.778 -2.817 821 3HG2 VAL 107 HG21 VAL 107 -3.997 -8.505 -3.823 822 H VAL 108 HN VAL 108 -2.592 -10.859 -3.041 823 HA VAL 108 HA VAL 108 -0.374 -10.438 -4.906 824 HB VAL 108 HB VAL 108 -2.497 -12.496 -5.428 825 1HG1 VAL 108 HG13 VAL 108 0.534 -12.536 -5.424 826 2HG1 VAL 108 HG12 VAL 108 -0.503 -13.863 -5.943 827 3HG1 VAL 108 HG11 VAL 108 -0.492 -12.348 -6.844 828 1HG2 VAL 108 HG23 VAL 108 -0.814 -12.318 -2.959 829 2HG2 VAL 108 HG22 VAL 108 -2.446 -12.953 -3.156 830 3HG2 VAL 108 HG21 VAL 108 -1.058 -13.904 -3.687 831 H LYS 109 HN LYS 109 -0.648 -9.120 -6.691 832 HA LYS 109 HA LYS 109 -3.369 -8.386 -7.507 833 1HB LYS 109 HB2 LYS 109 -2.184 -6.794 -9.039 834 2HB LYS 109 HB1 LYS 109 -1.719 -6.609 -7.353 835 1HG LYS 109 HG2 LYS 109 0.425 -7.106 -7.826 836 2HG LYS 109 HG1 LYS 109 -0.045 -8.581 -8.664 837 1HD LYS 109 HD2 LYS 109 -0.467 -7.364 -10.712 838 2HD LYS 109 HD1 LYS 109 -0.223 -5.820 -9.895 839 1HE LYS 109 HE2 LYS 109 2.121 -6.368 -9.480 840 2HE LYS 109 HE1 LYS 109 1.898 -7.967 -10.191 841 1HZ LYS 109 HZ3 LYS 109 1.072 -5.743 -11.853 842 2HZ LYS 109 HZ2 LYS 109 2.742 -5.834 -11.554 843 3HZ LYS 109 HZ1 LYS 109 1.929 -7.146 -12.265 844 HA PRO 110 HA PRO 110 -4.306 -7.466 -9.509 845 1HB PRO 110 HB2 PRO 110 -6.409 -8.850 -10.876 846 2HB PRO 110 HB1 PRO 110 -5.413 -7.524 -11.493 847 1HG PRO 110 HG2 PRO 110 -5.350 -10.241 -12.350 848 2HG PRO 110 HG1 PRO 110 -4.236 -8.951 -12.825 849 1HD PRO 110 HD2 PRO 110 -3.780 -11.186 -10.976 850 2HD PRO 110 HD1 PRO 110 -2.597 -10.082 -11.708 851 H PHE 111 HN PHE 111 -6.416 -7.230 -8.371 852 HA PHE 111 HA PHE 111 -7.378 -9.694 -6.992 853 1HB PHE 111 HB2 PHE 111 -7.595 -8.252 -4.887 854 2HB PHE 111 HB1 PHE 111 -5.969 -8.771 -5.307 855 HD1 PHE 111 HD2 PHE 111 -8.385 -5.927 -5.646 856 HD2 PHE 111 HD1 PHE 111 -4.283 -7.187 -5.726 857 HE1 PHE 111 HE2 PHE 111 -7.650 -3.573 -5.874 858 HE2 PHE 111 HE1 PHE 111 -3.558 -4.835 -5.955 859 HZ PHE 111 HZ PHE 111 -5.242 -3.021 -6.017 860 H THR 112 HN THR 112 -9.463 -9.429 -6.062 861 HA THR 112 HA THR 112 -11.125 -7.403 -7.483 862 HB THR 112 HB THR 112 -12.424 -9.530 -5.866 863 HG1 THR 112 HG1 THR 112 -10.456 -10.102 -7.600 864 1HG2 THR 112 HG21 THR 112 -13.552 -7.855 -7.408 865 2HG2 THR 112 HG23 THR 112 -12.815 -8.723 -8.755 866 3HG2 THR 112 HG22 THR 112 -13.966 -9.544 -7.702 867 H ALA 113 HN ALA 113 -12.591 -6.109 -6.140 868 HA ALA 113 HA ALA 113 -11.496 -5.106 -3.773 869 1HB ALA 113 HB1 ALA 113 -13.708 -4.475 -5.218 870 2HB ALA 113 HB3 ALA 113 -14.469 -5.242 -3.824 871 3HB ALA 113 HB2 ALA 113 -13.413 -3.848 -3.596 872 H ALA 114 HN ALA 114 -13.014 -8.133 -4.273 873 HA ALA 114 HA ALA 114 -13.811 -8.562 -1.509 874 1HB ALA 114 HB1 ALA 114 -14.251 -9.903 -3.908 875 2HB ALA 114 HB3 ALA 114 -13.150 -10.974 -3.042 876 3HB ALA 114 HB2 ALA 114 -14.682 -10.504 -2.306 877 H THR 115 HN THR 115 -10.989 -9.411 -3.516 878 HA THR 115 HA THR 115 -9.602 -10.758 -1.374 879 HB THR 115 HB THR 115 -7.648 -9.685 -3.069 880 HG1 THR 115 HG1 THR 115 -10.098 -10.195 -4.368 881 1HG2 THR 115 HG22 THR 115 -9.168 -12.302 -3.145 882 2HG2 THR 115 HG21 THR 115 -7.675 -12.001 -4.034 883 3HG2 THR 115 HG23 THR 115 -7.673 -11.971 -2.271 884 H LEU 116 HN LEU 116 -8.894 -7.502 -2.862 885 HA LEU 116 HA LEU 116 -7.218 -6.585 -0.821 886 1HB LEU 116 HB2 LEU 116 -8.523 -5.418 -2.977 887 2HB LEU 116 HB1 LEU 116 -9.170 -4.550 -1.589 888 HG LEU 116 HG LEU 116 -6.805 -4.201 -0.787 889 1HD1 LEU 116 HD12 LEU 116 -6.286 -5.744 -3.279 890 2HD1 LEU 116 HD11 LEU 116 -5.216 -4.383 -2.958 891 3HD1 LEU 116 HD13 LEU 116 -5.367 -5.680 -1.780 892 1HD2 LEU 116 HD21 LEU 116 -8.177 -2.566 -2.261 893 2HD2 LEU 116 HD23 LEU 116 -6.437 -2.309 -2.153 894 3HD2 LEU 116 HD22 LEU 116 -7.124 -3.092 -3.573 895 H GLU 117 HN GLU 117 -10.764 -6.813 -0.754 896 HA GLU 117 HA GLU 117 -11.136 -5.379 1.674 897 1HB GLU 117 HB2 GLU 117 -13.097 -5.805 0.425 898 2HB GLU 117 HB1 GLU 117 -12.732 -7.526 0.293 899 1HG GLU 117 HG2 GLU 117 -13.368 -7.968 2.493 900 2HG GLU 117 HG1 GLU 117 -13.109 -6.301 3.008 901 H GLU 118 HN GLU 118 -11.266 -8.913 1.229 902 HA GLU 118 HA GLU 118 -11.230 -9.735 3.871 903 1HB GLU 118 HB2 GLU 118 -10.664 -10.931 1.356 904 2HB GLU 118 HB1 GLU 118 -9.351 -11.378 2.445 905 1HG GLU 118 HG2 GLU 118 -11.113 -13.028 2.667 906 2HG GLU 118 HG1 GLU 118 -11.074 -12.060 4.142 907 H LYS 119 HN LYS 119 -8.301 -9.103 1.907 908 HA LYS 119 HA LYS 119 -6.331 -9.557 3.815 909 1HB LYS 119 HB2 LYS 119 -6.461 -7.267 1.829 910 2HB LYS 119 HB1 LYS 119 -5.002 -7.801 2.662 911 1HG LYS 119 HG2 LYS 119 -6.543 -9.914 1.254 912 2HG LYS 119 HG1 LYS 119 -5.728 -8.734 0.227 913 1HD LYS 119 HD2 LYS 119 -3.594 -9.240 1.161 914 2HD LYS 119 HD1 LYS 119 -4.313 -10.141 2.497 915 1HE LYS 119 HE2 LYS 119 -4.530 -10.947 -0.418 916 2HE LYS 119 HE1 LYS 119 -3.361 -11.624 0.716 917 1HZ LYS 119 HZ1 LYS 119 -5.667 -11.871 2.069 918 2HZ LYS 119 HZ3 LYS 119 -6.196 -12.116 0.477 919 3HZ LYS 119 HZ2 LYS 119 -4.971 -13.100 1.125 920 H LEU 120 HN LEU 120 -8.217 -6.555 3.391 921 HA LEU 120 HA LEU 120 -6.986 -5.058 5.453 922 1HB LEU 120 HB2 LEU 120 -9.188 -4.716 3.730 923 2HB LEU 120 HB1 LEU 120 -9.836 -4.556 5.361 924 HG LEU 120 HG LEU 120 -7.966 -2.960 5.885 925 1HD1 LEU 120 HD11 LEU 120 -7.253 -3.673 3.103 926 2HD1 LEU 120 HD13 LEU 120 -7.189 -1.952 3.473 927 3HD1 LEU 120 HD12 LEU 120 -6.237 -3.095 4.417 928 1HD2 LEU 120 HD21 LEU 120 -10.267 -2.537 4.150 929 2HD2 LEU 120 HD23 LEU 120 -9.678 -1.548 5.486 930 3HD2 LEU 120 HD22 LEU 120 -9.007 -1.335 3.869 931 H ASN 121 HN ASN 121 -10.003 -6.989 5.678 932 HA ASN 121 HA ASN 121 -10.369 -6.636 8.462 933 1HB ASN 121 HB2 ASN 121 -11.483 -8.286 6.374 934 2HB ASN 121 HB1 ASN 121 -11.269 -9.240 7.842 935 1HD2 ASN 121 HD22 ASN 121 -13.414 -6.949 9.766 936 2HD2 ASN 121 HD21 ASN 121 -11.887 -7.675 9.922 937 H LYS 122 HN LYS 122 -8.051 -8.617 6.790 938 HA LYS 122 HA LYS 122 -7.623 -10.435 9.024 939 1HB LYS 122 HB2 LYS 122 -7.072 -11.011 6.642 940 2HB LYS 122 HB1 LYS 122 -5.771 -9.823 6.700 941 1HG LYS 122 HG2 LYS 122 -5.733 -11.740 8.942 942 2HG LYS 122 HG1 LYS 122 -5.493 -12.480 7.362 943 1HD LYS 122 HD2 LYS 122 -3.970 -10.013 8.201 944 2HD LYS 122 HD1 LYS 122 -3.393 -11.633 8.586 945 1HE LYS 122 HE2 LYS 122 -4.219 -11.316 5.781 946 2HE LYS 122 HE1 LYS 122 -2.859 -10.290 6.240 947 1HZ LYS 122 HZ1 LYS 122 -2.466 -12.815 7.369 948 2HZ LYS 122 HZ3 LYS 122 -2.863 -13.046 5.737 949 3HZ LYS 122 HZ2 LYS 122 -1.551 -12.053 6.157 950 H ILE 123 HN ILE 123 -6.094 -7.475 7.832 951 HA ILE 123 HA ILE 123 -4.096 -7.539 10.007 952 HB ILE 123 HB ILE 123 -4.625 -5.740 7.651 953 1HG1 ILE 123 HG12 ILE 123 -2.096 -7.144 8.560 954 2HG1 ILE 123 HG11 ILE 123 -3.280 -7.897 7.493 955 1HG2 ILE 123 HG23 ILE 123 -3.016 -5.186 10.132 956 2HG2 ILE 123 HG22 ILE 123 -2.488 -4.536 8.579 957 3HG2 ILE 123 HG21 ILE 123 -4.069 -4.099 9.227 958 1HD1 ILE 123 HD11 ILE 123 -2.535 -5.196 6.636 959 2HD1 ILE 123 HD13 ILE 123 -1.168 -6.309 6.669 960 3HD1 ILE 123 HD12 ILE 123 -2.594 -6.694 5.705 961 H PHE 124 HN PHE 124 -6.982 -5.718 9.080 962 HA PHE 124 HA PHE 124 -6.699 -3.753 11.170 963 1HB PHE 124 HB2 PHE 124 -8.840 -4.505 9.223 964 2HB PHE 124 HB1 PHE 124 -9.251 -3.463 10.586 965 HD1 PHE 124 HD2 PHE 124 -6.301 -3.826 8.282 966 HD2 PHE 124 HD1 PHE 124 -9.192 -1.187 10.059 967 HE1 PHE 124 HE2 PHE 124 -5.245 -1.905 7.142 968 HE2 PHE 124 HE1 PHE 124 -8.131 0.738 8.907 969 HZ PHE 124 HZ PHE 124 -6.171 0.370 7.440 970 H GLU 125 HN GLU 125 -8.585 -6.777 10.906 971 HA GLU 125 HA GLU 125 -10.079 -6.523 13.277 972 1HB GLU 125 HB2 GLU 125 -10.287 -8.456 11.720 973 2HB GLU 125 HB1 GLU 125 -8.713 -9.041 12.260 974 1HG GLU 125 HG2 GLU 125 -9.523 -9.387 14.501 975 2HG GLU 125 HG1 GLU 125 -11.042 -8.565 14.136 976 H LYS 126 HN LYS 126 -6.701 -6.750 12.822 977 HA LYS 126 HA LYS 126 -6.227 -7.426 15.680 978 1HB LYS 126 HB2 LYS 126 -4.900 -8.461 13.693 979 2HB LYS 126 HB1 LYS 126 -4.085 -6.897 13.621 980 1HG LYS 126 HG2 LYS 126 -2.686 -7.855 15.152 981 2HG LYS 126 HG1 LYS 126 -3.951 -7.388 16.290 982 1HD LYS 126 HD2 LYS 126 -5.010 -9.615 16.000 983 2HD LYS 126 HD1 LYS 126 -3.695 -10.082 14.920 984 1HE LYS 126 HE2 LYS 126 -2.543 -10.751 16.735 985 2HE LYS 126 HE1 LYS 126 -2.435 -9.058 17.215 986 1HZ LYS 126 HZ2 LYS 126 -4.613 -9.317 18.307 987 2HZ LYS 126 HZ1 LYS 126 -4.579 -10.977 17.944 988 3HZ LYS 126 HZ3 LYS 126 -3.414 -10.313 18.983 989 H LEU 127 HN LEU 127 -6.236 -4.805 13.396 990 HA LEU 127 HA LEU 127 -4.662 -3.022 15.105 991 1HB LEU 127 HB2 LEU 127 -4.880 -2.892 12.509 992 2HB LEU 127 HB1 LEU 127 -6.443 -2.142 12.818 993 HG LEU 127 HG LEU 127 -4.488 -0.868 14.500 994 1HD1 LEU 127 HD13 LEU 127 -3.780 -1.024 11.555 995 2HD1 LEU 127 HD12 LEU 127 -3.066 0.106 12.706 996 3HD1 LEU 127 HD11 LEU 127 -2.804 -1.628 12.895 997 1HD2 LEU 127 HD21 LEU 127 -6.053 0.039 12.064 998 2HD2 LEU 127 HD23 LEU 127 -6.582 0.140 13.744 999 3HD2 LEU 127 HD22 LEU 127 -5.222 1.115 13.188 1000 H GLY 128 HN GLY 128 -7.982 -3.968 14.735 1001 1HA GLY 128 HA2 GLY 128 -9.931 -3.243 15.823 1002 2HA GLY 128 HA1 GLY 128 -8.850 -2.730 17.121 1003 H MET 129 HN MET 129 -10.282 -1.686 14.043 1004 HA MET 129 HA MET 129 -9.453 1.105 14.556 1005 1HB MET 129 HB2 MET 129 -10.185 -0.431 12.249 1006 2HB MET 129 HB1 MET 129 -11.296 0.933 12.388 1007 1HG MET 129 HG2 MET 129 -8.277 1.173 12.521 1008 2HG MET 129 HG1 MET 129 -9.236 1.477 11.073 1009 1HE MET 129 HE1 MET 129 -7.586 3.588 11.448 1010 2HE MET 129 HE3 MET 129 -9.047 3.961 10.523 1011 3HE MET 129 HE2 MET 129 -8.473 5.077 11.759 Start of MODEL 13 Raw file had 1011 H/Q atoms Start of MODEL 13 1 H ALA 2 HN ALA 2 -14.964 1.347 10.740 2 HA ALA 2 HA ALA 2 -12.825 2.286 10.934 3 1HB ALA 2 HB3 ALA 2 -12.526 0.096 9.431 4 2HB ALA 2 HB2 ALA 2 -12.077 1.295 8.216 5 3HB ALA 2 HB1 ALA 2 -11.182 1.201 9.733 6 H ASP 3 HN ASP 3 -14.778 4.042 9.982 7 HA ASP 3 HA ASP 3 -14.947 6.140 8.943 8 1HB ASP 3 HB2 ASP 3 -12.245 5.823 9.664 9 2HB ASP 3 HB1 ASP 3 -12.215 6.382 7.991 10 H LYS 4 HN LYS 4 -15.823 6.443 6.935 11 HA LYS 4 HA LYS 4 -14.955 4.654 4.754 12 1HB LYS 4 HB2 LYS 4 -17.291 6.491 5.174 13 2HB LYS 4 HB1 LYS 4 -16.874 5.969 3.547 14 1HG LYS 4 HG2 LYS 4 -17.139 3.656 4.128 15 2HG LYS 4 HG1 LYS 4 -17.254 4.035 5.843 16 1HD LYS 4 HD2 LYS 4 -19.465 3.540 4.686 17 2HD LYS 4 HD1 LYS 4 -19.398 5.069 5.562 18 1HE LYS 4 HE2 LYS 4 -19.180 6.331 3.570 19 2HE LYS 4 HE1 LYS 4 -18.745 4.910 2.620 20 1HZ LYS 4 HZ1 LYS 4 -21.076 4.097 3.368 21 2HZ LYS 4 HZ3 LYS 4 -21.380 5.748 3.613 22 3HZ LYS 4 HZ2 LYS 4 -20.937 5.187 2.071 23 H GLU 5 HN GLU 5 -13.457 7.115 5.841 24 HA GLU 5 HA GLU 5 -12.896 8.286 3.157 25 1HB GLU 5 HB2 GLU 5 -13.513 9.756 5.723 26 2HB GLU 5 HB1 GLU 5 -12.549 10.503 4.450 27 1HG GLU 5 HG2 GLU 5 -15.040 9.217 3.518 28 2HG GLU 5 HG1 GLU 5 -15.275 10.617 4.561 29 H LEU 6 HN LEU 6 -11.415 6.229 4.496 30 HA LEU 6 HA LEU 6 -9.242 7.477 5.921 31 1HB LEU 6 HB2 LEU 6 -9.985 5.086 6.230 32 2HB LEU 6 HB1 LEU 6 -9.333 4.728 4.641 33 HG LEU 6 HG LEU 6 -7.078 5.187 5.375 34 1HD1 LEU 6 HD11 LEU 6 -8.457 6.354 7.784 35 2HD1 LEU 6 HD13 LEU 6 -6.822 5.715 7.928 36 3HD1 LEU 6 HD12 LEU 6 -7.150 7.041 6.815 37 1HD2 LEU 6 HD23 LEU 6 -8.650 3.609 7.420 38 2HD2 LEU 6 HD22 LEU 6 -7.858 2.987 5.975 39 3HD2 LEU 6 HD21 LEU 6 -6.892 3.616 7.315 40 H LYS 7 HN LYS 7 -7.481 8.458 5.002 41 HA LYS 7 HA LYS 7 -7.409 8.773 2.128 42 1HB LYS 7 HB2 LYS 7 -5.525 9.656 4.322 43 2HB LYS 7 HB1 LYS 7 -5.369 10.138 2.638 44 1HG LYS 7 HG2 LYS 7 -6.707 11.881 3.204 45 2HG LYS 7 HG1 LYS 7 -8.023 10.709 3.178 46 1HD LYS 7 HD2 LYS 7 -7.429 10.199 5.611 47 2HD LYS 7 HD1 LYS 7 -6.422 11.646 5.564 48 1HE LYS 7 HE2 LYS 7 -9.387 11.561 4.929 49 2HE LYS 7 HE1 LYS 7 -8.685 12.145 6.438 50 1HZ LYS 7 HZ3 LYS 7 -7.387 13.745 5.049 51 2HZ LYS 7 HZ2 LYS 7 -8.344 13.284 3.723 52 3HZ LYS 7 HZ1 LYS 7 -9.060 14.021 5.076 53 H PHE 8 HN PHE 8 -6.435 7.478 0.695 54 HA PHE 8 HA PHE 8 -4.243 5.682 1.614 55 1HB PHE 8 HB2 PHE 8 -6.051 5.477 -0.819 56 2HB PHE 8 HB1 PHE 8 -4.787 4.342 -0.397 57 HD1 PHE 8 HD1 PHE 8 -7.936 5.848 0.890 58 HD2 PHE 8 HD2 PHE 8 -5.244 2.518 1.021 59 HE1 PHE 8 HE1 PHE 8 -9.539 4.608 2.326 60 HE2 PHE 8 HE2 PHE 8 -6.835 1.275 2.463 61 HZ PHE 8 HZ PHE 8 -8.988 2.324 3.113 62 H LEU 9 HN LEU 9 -2.394 5.488 0.250 63 HA LEU 9 HA LEU 9 -2.094 7.727 -1.723 64 1HB LEU 9 HB2 LEU 9 -0.604 8.145 0.130 65 2HB LEU 9 HB1 LEU 9 -0.028 6.483 0.112 66 HG LEU 9 HG LEU 9 0.999 6.807 -2.084 67 1HD1 LEU 9 HD11 LEU 9 -0.450 9.432 -1.910 68 2HD1 LEU 9 HD13 LEU 9 0.992 9.280 -2.909 69 3HD1 LEU 9 HD12 LEU 9 -0.420 8.277 -3.241 70 1HD2 LEU 9 HD22 LEU 9 1.605 8.772 0.096 71 2HD2 LEU 9 HD21 LEU 9 2.559 7.410 -0.492 72 3HD2 LEU 9 HD23 LEU 9 2.466 8.894 -1.436 73 H VAL 10 HN VAL 10 -2.315 6.788 -3.708 74 HA VAL 10 HA VAL 10 -1.370 4.003 -4.087 75 HB VAL 10 HB VAL 10 -2.534 5.555 -6.345 76 1HG1 VAL 10 HG13 VAL 10 -1.938 2.998 -6.119 77 2HG1 VAL 10 HG12 VAL 10 -3.481 2.916 -5.268 78 3HG1 VAL 10 HG11 VAL 10 -3.423 3.481 -6.937 79 1HG2 VAL 10 HG23 VAL 10 -4.065 4.803 -3.835 80 2HG2 VAL 10 HG22 VAL 10 -3.903 6.409 -4.541 81 3HG2 VAL 10 HG21 VAL 10 -4.838 5.172 -5.377 82 H VAL 11 HN VAL 11 0.650 3.653 -4.849 83 HA VAL 11 HA VAL 11 1.892 5.706 -6.587 84 HB VAL 11 HB VAL 11 3.296 3.914 -4.592 85 1HG1 VAL 11 HG13 VAL 11 4.202 5.683 -6.774 86 2HG1 VAL 11 HG12 VAL 11 4.994 5.981 -5.228 87 3HG1 VAL 11 HG11 VAL 11 5.057 4.377 -5.955 88 1HG2 VAL 11 HG23 VAL 11 1.897 6.399 -4.246 89 2HG2 VAL 11 HG22 VAL 11 2.792 5.468 -3.044 90 3HG2 VAL 11 HG21 VAL 11 3.623 6.680 -4.016 91 H ASP 12 HN ASP 12 0.334 3.230 -7.227 92 HA ASP 12 HA ASP 12 1.935 1.066 -8.019 93 1HB ASP 12 HB2 ASP 12 -0.395 2.233 -9.573 94 2HB ASP 12 HB1 ASP 12 0.214 0.581 -9.689 95 H ASP 13 HN ASP 13 2.408 0.565 -10.456 96 HA ASP 13 HA ASP 13 4.055 2.817 -11.468 97 1HB ASP 13 HB2 ASP 13 4.130 0.241 -12.907 98 2HB ASP 13 HB1 ASP 13 5.459 1.230 -12.298 99 H PHE 14 HN PHE 14 1.756 0.402 -12.787 100 HA PHE 14 HA PHE 14 1.464 1.389 -15.370 101 1HB PHE 14 HB2 PHE 14 -0.189 -0.160 -13.522 102 2HB PHE 14 HB1 PHE 14 -1.157 0.805 -14.636 103 HD1 PHE 14 HD2 PHE 14 -0.199 0.814 -17.150 104 HD2 PHE 14 HD1 PHE 14 0.469 -2.281 -14.246 105 HE1 PHE 14 HE2 PHE 14 0.280 -0.796 -18.975 106 HE2 PHE 14 HE1 PHE 14 0.947 -3.889 -16.071 107 HZ PHE 14 HZ PHE 14 0.853 -3.148 -18.435 108 H SER 15 HN SER 15 0.402 3.127 -16.316 109 HA SER 15 HA SER 15 -0.355 5.325 -14.499 110 1HB SER 15 HB2 SER 15 -0.560 5.490 -17.489 111 2HB SER 15 HB1 SER 15 -0.120 6.745 -16.334 112 HG SER 15 HG SER 15 1.670 4.903 -16.015 113 H THR 16 HN THR 16 -1.976 2.732 -15.256 114 HA THR 16 HA THR 16 -4.568 4.184 -15.551 115 HB THR 16 HB THR 16 -3.945 3.218 -17.756 116 HG1 THR 16 HG1 THR 16 -5.888 2.178 -18.037 117 1HG2 THR 16 HG23 THR 16 -2.931 1.138 -16.199 118 2HG2 THR 16 HG22 THR 16 -4.352 0.441 -16.979 119 3HG2 THR 16 HG21 THR 16 -3.068 1.152 -17.957 120 H MET 17 HN MET 17 -2.665 1.696 -14.119 121 HA MET 17 HA MET 17 -4.814 0.069 -13.089 122 1HB MET 17 HB2 MET 17 -2.508 -0.770 -13.181 123 2HB MET 17 HB1 MET 17 -1.993 0.483 -12.051 124 1HG MET 17 HG2 MET 17 -2.851 -0.611 -10.249 125 2HG MET 17 HG1 MET 17 -4.283 -1.139 -11.130 126 1HE MET 17 HE3 MET 17 -4.066 -3.076 -9.634 127 2HE MET 17 HE2 MET 17 -4.598 -3.775 -11.161 128 3HE MET 17 HE1 MET 17 -3.353 -4.587 -10.214 129 NH1 ARG 18 NH2 ARG 18 1.286 5.081 -11.593 130 NH2 ARG 18 NH1 ARG 18 0.978 7.318 -11.481 131 H ARG 18 HN ARG 18 -3.596 3.173 -12.262 132 HA ARG 18 HA ARG 18 -4.265 3.197 -9.463 133 1HB ARG 18 HB2 ARG 18 -4.612 5.741 -10.901 134 2HB ARG 18 HB1 ARG 18 -3.572 5.355 -9.534 135 1HG ARG 18 HG2 ARG 18 -2.086 4.096 -11.189 136 2HG ARG 18 HG1 ARG 18 -3.036 4.850 -12.469 137 1HD ARG 18 HD2 ARG 18 -1.639 6.611 -12.315 138 2HD ARG 18 HD1 ARG 18 -2.406 6.966 -10.769 139 HE ARG 18 HE ARG 18 -0.594 5.575 -9.709 140 1HH1 ARG 18 HH21 ARG 18 0.967 4.153 -11.403 141 2HH1 ARG 18 HH22 ARG 18 2.159 5.225 -12.057 142 1HH2 ARG 18 HH11 ARG 18 0.423 8.103 -11.207 143 2HH2 ARG 18 HH12 ARG 18 1.851 7.461 -11.946 144 NH1 ARG 19 NH1 ARG 19 -10.422 6.252 -15.702 145 NH2 ARG 19 NH2 ARG 19 -12.057 5.312 -16.946 146 H ARG 19 HN ARG 19 -6.091 3.831 -12.419 147 HA ARG 19 HA ARG 19 -8.404 4.874 -11.050 148 1HB ARG 19 HB2 ARG 19 -9.126 5.291 -13.155 149 2HB ARG 19 HB1 ARG 19 -7.577 4.657 -13.701 150 1HG ARG 19 HG2 ARG 19 -8.601 2.364 -13.789 151 2HG ARG 19 HG1 ARG 19 -10.160 3.084 -13.374 152 1HD ARG 19 HD2 ARG 19 -8.781 4.389 -15.636 153 2HD ARG 19 HD1 ARG 19 -9.268 2.722 -15.932 154 HE ARG 19 HE ARG 19 -11.595 3.464 -15.222 155 1HH1 ARG 19 HH11 ARG 19 -9.698 6.169 -15.016 156 2HH1 ARG 19 HH12 ARG 19 -10.617 7.141 -16.117 157 1HH2 ARG 19 HH21 ARG 19 -12.587 4.507 -17.215 158 2HH2 ARG 19 HH22 ARG 19 -12.252 6.200 -17.362 159 H ILE 20 HN ILE 20 -7.186 1.692 -11.704 160 HA ILE 20 HA ILE 20 -9.681 0.270 -11.400 161 HB ILE 20 HB ILE 20 -6.789 -0.421 -11.494 162 1HG1 ILE 20 HG12 ILE 20 -9.219 -1.831 -12.623 163 2HG1 ILE 20 HG11 ILE 20 -8.451 -0.458 -13.420 164 1HG2 ILE 20 HG21 ILE 20 -8.861 -2.131 -10.093 165 2HG2 ILE 20 HG23 ILE 20 -7.412 -2.815 -10.823 166 3HG2 ILE 20 HG22 ILE 20 -7.264 -1.659 -9.504 167 1HD1 ILE 20 HD12 ILE 20 -7.077 -3.062 -12.692 168 2HD1 ILE 20 HD11 ILE 20 -7.592 -2.594 -14.312 169 3HD1 ILE 20 HD13 ILE 20 -6.316 -1.690 -13.497 170 H VAL 21 HN VAL 21 -6.957 0.831 -9.136 171 HA VAL 21 HA VAL 21 -8.264 -0.359 -6.899 172 HB VAL 21 HB VAL 21 -6.589 1.667 -5.889 173 1HG1 VAL 21 HG12 VAL 21 -6.121 -1.252 -6.559 174 2HG1 VAL 21 HG11 VAL 21 -5.039 -0.288 -5.555 175 3HG1 VAL 21 HG13 VAL 21 -6.693 -0.597 -5.025 176 1HG2 VAL 21 HG22 VAL 21 -5.904 2.041 -8.270 177 2HG2 VAL 21 HG21 VAL 21 -4.580 1.471 -7.254 178 3HG2 VAL 21 HG23 VAL 21 -5.394 0.355 -8.350 179 NH1 ARG 22 NH2 ARG 22 -11.378 9.007 -5.630 180 NH2 ARG 22 NH1 ARG 22 -12.389 9.663 -7.542 181 H ARG 22 HN ARG 22 -8.440 2.861 -8.284 182 HA ARG 22 HA ARG 22 -9.543 4.361 -6.198 183 1HB ARG 22 HB2 ARG 22 -9.656 4.407 -9.127 184 2HB ARG 22 HB1 ARG 22 -11.099 5.082 -8.376 185 1HG ARG 22 HG2 ARG 22 -8.324 5.881 -7.486 186 2HG ARG 22 HG1 ARG 22 -9.152 6.708 -8.805 187 1HD ARG 22 HD2 ARG 22 -10.803 6.329 -6.392 188 2HD ARG 22 HD1 ARG 22 -9.407 7.380 -6.159 189 HE ARG 22 HE ARG 22 -10.717 8.148 -8.572 190 1HH1 ARG 22 HH21 ARG 22 -10.713 8.431 -5.156 191 2HH1 ARG 22 HH22 ARG 22 -11.935 9.658 -5.114 192 1HH2 ARG 22 HH11 ARG 22 -12.498 9.590 -8.533 193 2HH2 ARG 22 HH12 ARG 22 -12.945 10.314 -7.025 194 H ASN 23 HN ASN 23 -11.366 2.370 -8.544 195 HA ASN 23 HA ASN 23 -13.898 2.641 -7.238 196 1HB ASN 23 HB2 ASN 23 -12.893 1.586 -9.584 197 2HB ASN 23 HB1 ASN 23 -13.394 0.168 -8.702 198 1HD2 ASN 23 HD22 ASN 23 -16.308 1.742 -10.623 199 2HD2 ASN 23 HD21 ASN 23 -14.720 1.392 -11.107 200 H LEU 24 HN LEU 24 -11.655 -0.084 -7.468 201 HA LEU 24 HA LEU 24 -12.751 -1.966 -5.823 202 1HB LEU 24 HB2 LEU 24 -10.433 -1.874 -6.989 203 2HB LEU 24 HB1 LEU 24 -9.875 -1.166 -5.488 204 HG LEU 24 HG LEU 24 -11.432 -3.541 -4.919 205 1HD1 LEU 24 HD11 LEU 24 -9.171 -3.845 -6.908 206 2HD1 LEU 24 HD13 LEU 24 -9.841 -5.179 -5.969 207 3HD1 LEU 24 HD12 LEU 24 -10.855 -4.322 -7.131 208 1HD2 LEU 24 HD21 LEU 24 -8.612 -2.605 -4.417 209 2HD2 LEU 24 HD23 LEU 24 -9.884 -2.998 -3.263 210 3HD2 LEU 24 HD22 LEU 24 -9.036 -4.283 -4.117 211 H LEU 25 HN LEU 25 -10.953 0.903 -4.704 212 HA LEU 25 HA LEU 25 -11.247 0.286 -1.886 213 1HB LEU 25 HB2 LEU 25 -10.388 2.652 -3.507 214 2HB LEU 25 HB1 LEU 25 -10.846 2.931 -1.840 215 HG LEU 25 HG LEU 25 -8.838 0.832 -2.690 216 1HD1 LEU 25 HD12 LEU 25 -8.524 3.727 -1.915 217 2HD1 LEU 25 HD11 LEU 25 -7.236 2.567 -1.588 218 3HD1 LEU 25 HD13 LEU 25 -7.767 2.851 -3.245 219 1HD2 LEU 25 HD23 LEU 25 -10.165 1.474 -0.195 220 2HD2 LEU 25 HD22 LEU 25 -9.034 0.169 -0.540 221 3HD2 LEU 25 HD21 LEU 25 -8.432 1.748 -0.042 222 H LYS 26 HN LYS 26 -13.093 2.223 -4.218 223 HA LYS 26 HA LYS 26 -14.910 3.326 -2.333 224 1HB LYS 26 HB2 LYS 26 -14.675 4.154 -4.667 225 2HB LYS 26 HB1 LYS 26 -15.413 2.661 -5.248 226 1HG LYS 26 HG2 LYS 26 -16.969 4.022 -3.144 227 2HG LYS 26 HG1 LYS 26 -16.801 4.955 -4.629 228 1HD LYS 26 HD2 LYS 26 -17.829 3.279 -5.939 229 2HD LYS 26 HD1 LYS 26 -17.598 2.046 -4.699 230 1HE LYS 26 HE2 LYS 26 -19.966 2.933 -4.885 231 2HE LYS 26 HE1 LYS 26 -19.255 3.047 -3.276 232 1HZ LYS 26 HZ3 LYS 26 -18.503 5.368 -4.153 233 2HZ LYS 26 HZ2 LYS 26 -19.810 5.171 -5.221 234 3HZ LYS 26 HZ1 LYS 26 -20.069 5.149 -3.542 235 H GLU 27 HN GLU 27 -14.899 0.294 -4.154 236 HA GLU 27 HA GLU 27 -17.478 -0.626 -3.647 237 1HB GLU 27 HB2 GLU 27 -14.851 -2.129 -3.710 238 2HB GLU 27 HB1 GLU 27 -16.423 -2.921 -3.667 239 1HG GLU 27 HG2 GLU 27 -15.673 -0.882 -5.770 240 2HG GLU 27 HG1 GLU 27 -15.439 -2.616 -5.989 241 H LEU 28 HN LEU 28 -14.678 -0.502 -1.508 242 HA LEU 28 HA LEU 28 -15.999 -1.986 0.626 243 1HB LEU 28 HB2 LEU 28 -13.426 -0.474 0.335 244 2HB LEU 28 HB1 LEU 28 -14.018 -0.842 1.955 245 HG LEU 28 HG LEU 28 -14.158 -3.235 1.368 246 1HD1 LEU 28 HD12 LEU 28 -13.400 -2.140 -1.314 247 2HD1 LEU 28 HD11 LEU 28 -12.810 -3.740 -0.867 248 3HD1 LEU 28 HD13 LEU 28 -14.544 -3.420 -0.909 249 1HD2 LEU 28 HD22 LEU 28 -11.636 -1.671 1.244 250 2HD2 LEU 28 HD21 LEU 28 -12.089 -2.994 2.319 251 3HD2 LEU 28 HD23 LEU 28 -11.528 -3.339 0.683 252 H GLY 29 HN GLY 29 -15.129 1.436 0.131 253 1HA GLY 29 HA2 GLY 29 -17.324 2.803 0.779 254 2HA GLY 29 HA1 GLY 29 -16.870 2.184 2.357 255 H PHE 30 HN PHE 30 -14.563 3.159 -0.131 256 HA PHE 30 HA PHE 30 -13.737 5.439 1.643 257 1HB PHE 30 HB2 PHE 30 -12.020 3.619 -0.053 258 2HB PHE 30 HB1 PHE 30 -11.420 5.010 0.833 259 HD1 PHE 30 HD1 PHE 30 -11.838 5.049 3.381 260 HD2 PHE 30 HD2 PHE 30 -12.192 1.525 0.971 261 HE1 PHE 30 HE1 PHE 30 -11.612 3.635 5.413 262 HE2 PHE 30 HE2 PHE 30 -11.972 0.108 2.996 263 HZ PHE 30 HZ PHE 30 -11.680 1.167 5.218 264 H ASN 31 HN ASN 31 -13.113 7.375 0.560 265 HA ASN 31 HA ASN 31 -13.155 7.397 -2.393 266 1HB ASN 31 HB2 ASN 31 -15.537 7.773 -1.299 267 2HB ASN 31 HB1 ASN 31 -14.921 9.406 -1.044 268 1HD2 ASN 31 HD22 ASN 31 -15.189 10.305 -4.446 269 2HD2 ASN 31 HD21 ASN 31 -14.786 10.791 -2.871 270 H ASN 32 HN ASN 32 -10.858 7.865 -1.128 271 HA ASN 32 HA ASN 32 -10.234 10.599 -1.783 272 1HB ASN 32 HB2 ASN 32 -11.373 10.332 0.733 273 2HB ASN 32 HB1 ASN 32 -9.643 10.334 1.071 274 1HD2 ASN 32 HD22 ASN 32 -11.236 13.656 -0.780 275 2HD2 ASN 32 HD21 ASN 32 -11.946 12.140 -1.058 276 H VAL 33 HN VAL 33 -8.291 10.120 -2.724 277 HA VAL 33 HA VAL 33 -6.187 8.914 -1.025 278 HB VAL 33 HB VAL 33 -5.681 7.119 -2.447 279 1HG1 VAL 33 HG12 VAL 33 -7.898 6.788 -1.358 280 2HG1 VAL 33 HG11 VAL 33 -8.672 7.429 -2.806 281 3HG1 VAL 33 HG13 VAL 33 -7.756 5.925 -2.887 282 1HG2 VAL 33 HG21 VAL 33 -7.113 8.755 -4.536 283 2HG2 VAL 33 HG23 VAL 33 -5.459 8.142 -4.559 284 3HG2 VAL 33 HG22 VAL 33 -6.811 7.037 -4.787 285 H GLU 34 HN GLU 34 -4.074 8.803 -2.600 286 HA GLU 34 HA GLU 34 -4.020 11.345 -4.175 287 1HB GLU 34 HB2 GLU 34 -2.439 10.568 -1.832 288 2HB GLU 34 HB1 GLU 34 -1.459 11.102 -3.201 289 1HG GLU 34 HG2 GLU 34 -3.859 12.640 -2.184 290 2HG GLU 34 HG1 GLU 34 -2.215 12.954 -1.633 291 H GLU 35 HN GLU 35 -1.520 11.178 -5.253 292 HA GLU 35 HA GLU 35 -1.257 8.436 -6.363 293 1HB GLU 35 HB2 GLU 35 -2.280 10.809 -7.798 294 2HB GLU 35 HB1 GLU 35 -1.048 9.884 -8.655 295 1HG GLU 35 HG2 GLU 35 -2.344 7.908 -8.627 296 2HG GLU 35 HG1 GLU 35 -3.403 8.518 -7.357 297 H ALA 36 HN ALA 36 0.770 7.964 -7.154 298 HA ALA 36 HA ALA 36 2.800 10.083 -7.415 299 1HB ALA 36 HB3 ALA 36 2.562 8.502 -5.032 300 2HB ALA 36 HB2 ALA 36 4.028 8.015 -5.884 301 3HB ALA 36 HB1 ALA 36 3.794 9.701 -5.427 302 H GLU 37 HN GLU 37 5.034 8.599 -7.841 303 HA GLU 37 HA GLU 37 4.362 6.199 -9.395 304 1HB GLU 37 HB2 GLU 37 4.959 7.011 -11.531 305 2HB GLU 37 HB1 GLU 37 3.936 8.280 -10.856 306 1HG GLU 37 HG2 GLU 37 6.252 9.201 -9.946 307 2HG GLU 37 HG1 GLU 37 6.896 8.270 -11.299 308 H ASP 38 HN ASP 38 6.204 7.153 -7.140 309 HA ASP 38 HA ASP 38 8.418 5.469 -7.744 310 1HB ASP 38 HB2 ASP 38 8.636 8.049 -8.946 311 2HB ASP 38 HB1 ASP 38 9.781 7.988 -7.608 312 H GLY 39 HN GLY 39 9.762 5.229 -5.899 313 1HA GLY 39 HA2 GLY 39 8.686 5.812 -3.392 314 2HA GLY 39 HA1 GLY 39 10.408 5.534 -3.650 315 H VAL 40 HN VAL 40 10.910 7.770 -5.344 316 HA VAL 40 HA VAL 40 11.334 9.829 -3.399 317 HB VAL 40 HB VAL 40 11.315 10.023 -6.429 318 1HG1 VAL 40 HG12 VAL 40 11.673 11.987 -4.329 319 2HG1 VAL 40 HG11 VAL 40 13.152 11.821 -5.276 320 3HG1 VAL 40 HG13 VAL 40 11.633 12.226 -6.075 321 1HG2 VAL 40 HG22 VAL 40 12.896 8.333 -5.556 322 2HG2 VAL 40 HG21 VAL 40 13.759 9.728 -6.204 323 3HG2 VAL 40 HG23 VAL 40 13.576 9.537 -4.460 324 H ASP 41 HN ASP 41 8.754 9.183 -5.703 325 HA ASP 41 HA ASP 41 7.456 11.770 -5.330 326 1HB ASP 41 HB2 ASP 41 7.249 10.081 -7.315 327 2HB ASP 41 HB1 ASP 41 6.071 9.274 -6.287 328 H ALA 42 HN ALA 42 6.932 8.448 -4.175 329 HA ALA 42 HA ALA 42 4.656 9.039 -2.545 330 1HB ALA 42 HB3 ALA 42 5.986 6.748 -3.252 331 2HB ALA 42 HB2 ALA 42 6.465 6.927 -1.567 332 3HB ALA 42 HB1 ALA 42 4.758 6.833 -1.988 333 H LEU 43 HN LEU 43 8.133 9.272 -1.988 334 HA LEU 43 HA LEU 43 7.973 9.621 0.867 335 1HB LEU 43 HB2 LEU 43 10.041 9.128 -0.666 336 2HB LEU 43 HB1 LEU 43 10.129 10.882 -0.811 337 HG LEU 43 HG LEU 43 10.095 9.352 1.811 338 1HD1 LEU 43 HD12 LEU 43 12.328 10.637 0.220 339 2HD1 LEU 43 HD11 LEU 43 12.480 10.218 1.927 340 3HD1 LEU 43 HD13 LEU 43 12.201 8.953 0.731 341 1HD2 LEU 43 HD21 LEU 43 10.186 12.270 1.066 342 2HD2 LEU 43 HD23 LEU 43 9.221 11.473 2.310 343 3HD2 LEU 43 HD22 LEU 43 10.949 11.716 2.556 344 H ASN 44 HN ASN 44 8.763 12.099 -1.600 345 HA ASN 44 HA ASN 44 8.470 14.366 -0.026 346 1HB ASN 44 HB2 ASN 44 8.133 13.774 -2.908 347 2HB ASN 44 HB1 ASN 44 7.361 15.258 -2.347 348 1HD2 ASN 44 HD22 ASN 44 11.312 15.273 -2.910 349 2HD2 ASN 44 HD21 ASN 44 10.271 14.086 -3.534 350 H LYS 45 HN LYS 45 5.931 12.270 -1.228 351 HA LYS 45 HA LYS 45 3.834 14.198 -0.449 352 1HB LYS 45 HB2 LYS 45 3.997 11.871 -2.160 353 2HB LYS 45 HB1 LYS 45 2.659 11.703 -1.023 354 1HG LYS 45 HG2 LYS 45 1.782 13.889 -1.678 355 2HG LYS 45 HG1 LYS 45 3.155 14.141 -2.756 356 1HD LYS 45 HD2 LYS 45 2.431 11.959 -3.912 357 2HD LYS 45 HD1 LYS 45 0.915 12.135 -3.026 358 1HE LYS 45 HE2 LYS 45 2.080 13.933 -5.142 359 2HE LYS 45 HE1 LYS 45 0.462 13.235 -5.053 360 1HZ LYS 45 HZ2 LYS 45 0.363 14.635 -2.870 361 2HZ LYS 45 HZ1 LYS 45 1.570 15.552 -3.637 362 3HZ LYS 45 HZ3 LYS 45 0.055 15.361 -4.374 363 H LEU 46 HN LEU 46 5.132 11.072 0.657 364 HA LEU 46 HA LEU 46 3.230 10.466 2.634 365 1HB LEU 46 HB2 LEU 46 5.941 9.671 2.035 366 2HB LEU 46 HB1 LEU 46 5.781 9.909 3.767 367 HG LEU 46 HG LEU 46 5.257 7.584 3.135 368 1HD1 LEU 46 HD11 LEU 46 3.571 9.346 4.633 369 2HD1 LEU 46 HD13 LEU 46 2.554 8.163 3.811 370 3HD1 LEU 46 HD12 LEU 46 3.849 7.623 4.875 371 1HD2 LEU 46 HD22 LEU 46 3.815 8.881 1.007 372 2HD2 LEU 46 HD21 LEU 46 4.141 7.165 1.231 373 3HD2 LEU 46 HD23 LEU 46 2.701 7.886 1.943 374 H GLN 47 HN GLN 47 5.947 12.735 2.719 375 HA GLN 47 HA GLN 47 5.953 13.394 5.460 376 1HB GLN 47 HB2 GLN 47 6.398 15.250 3.101 377 2HB GLN 47 HB1 GLN 47 6.900 15.565 4.762 378 1HG GLN 47 HG2 GLN 47 7.939 13.044 4.261 379 2HG GLN 47 HG1 GLN 47 8.164 13.883 2.726 380 1HE2 GLN 47 HE22 GLN 47 10.811 15.851 3.949 381 2HE2 GLN 47 HE21 GLN 47 9.933 15.290 2.609 382 H ALA 48 HN ALA 48 3.637 14.154 2.984 383 HA ALA 48 HA ALA 48 2.363 16.439 3.861 384 1HB ALA 48 HB3 ALA 48 1.161 13.840 2.884 385 2HB ALA 48 HB2 ALA 48 0.195 15.289 3.164 386 3HB ALA 48 HB1 ALA 48 1.474 15.303 1.950 387 H GLY 49 HN GLY 49 1.451 13.162 4.996 388 1HA GLY 49 HA2 GLY 49 1.171 12.588 7.333 389 2HA GLY 49 HA1 GLY 49 1.034 14.304 7.714 390 H GLY 50 HN GLY 50 -0.658 11.668 6.029 391 1HA GLY 50 HA2 GLY 50 -3.178 12.335 7.237 392 2HA GLY 50 HA1 GLY 50 -3.123 12.941 5.582 393 OH TYR 51 OH TYR 51 -0.277 12.627 -0.349 394 H TYR 51 HN TYR 51 -1.377 10.746 4.661 395 HA TYR 51 HA TYR 51 -3.382 8.903 3.847 396 1HB TYR 51 HB2 TYR 51 -0.424 8.316 3.994 397 2HB TYR 51 HB1 TYR 51 -1.599 7.602 2.905 398 HD1 TYR 51 HD1 TYR 51 -3.125 9.833 1.841 399 HD2 TYR 51 HD2 TYR 51 1.064 9.584 2.756 400 HE1 TYR 51 HE1 TYR 51 -2.661 11.631 0.222 401 HE2 TYR 51 HE2 TYR 51 1.528 11.376 1.119 402 HH TYR 51 HH TYR 51 -0.135 13.441 0.138 403 H GLY 52 HN GLY 52 -4.445 8.247 5.802 404 1HA GLY 52 HA2 GLY 52 -3.020 6.883 7.908 405 2HA GLY 52 HA1 GLY 52 -4.758 6.779 7.618 406 H PHE 53 HN PHE 53 -3.155 6.178 4.769 407 HA PHE 53 HA PHE 53 -2.652 3.311 5.190 408 1HB PHE 53 HB2 PHE 53 -5.209 4.049 4.730 409 2HB PHE 53 HB1 PHE 53 -4.631 3.925 3.081 410 HD1 PHE 53 HD2 PHE 53 -3.511 1.764 2.354 411 HD2 PHE 53 HD1 PHE 53 -5.717 2.135 5.996 412 HE1 PHE 53 HE2 PHE 53 -3.779 -0.679 2.437 413 HE2 PHE 53 HE1 PHE 53 -5.999 -0.307 6.081 414 HZ PHE 53 HZ PHE 53 -5.015 -1.737 4.308 415 H VAL 54 HN VAL 54 -1.362 2.470 3.438 416 HA VAL 54 HA VAL 54 -0.970 4.263 1.090 417 HB VAL 54 HB VAL 54 1.309 3.293 2.835 418 1HG1 VAL 54 HG12 VAL 54 1.138 4.418 0.080 419 2HG1 VAL 54 HG11 VAL 54 2.428 5.035 1.113 420 3HG1 VAL 54 HG13 VAL 54 2.323 3.309 0.769 421 1HG2 VAL 54 HG23 VAL 54 0.001 5.975 2.383 422 2HG2 VAL 54 HG22 VAL 54 0.383 5.187 3.911 423 3HG2 VAL 54 HG21 VAL 54 1.676 5.861 2.918 424 H ILE 55 HN ILE 55 -0.911 3.121 -0.733 425 HA ILE 55 HA ILE 55 -0.267 0.194 -0.596 426 HB ILE 55 HB ILE 55 -1.959 1.633 -2.666 427 1HG1 ILE 55 HG12 ILE 55 -2.870 -0.051 -0.311 428 2HG1 ILE 55 HG11 ILE 55 -2.981 1.708 -0.386 429 1HG2 ILE 55 HG22 ILE 55 -0.893 -0.496 -3.373 430 2HG2 ILE 55 HG21 ILE 55 -1.635 -1.307 -1.993 431 3HG2 ILE 55 HG23 ILE 55 -2.648 -0.641 -3.274 432 1HD1 ILE 55 HD13 ILE 55 -4.321 1.434 -2.519 433 2HD1 ILE 55 HD12 ILE 55 -4.368 -0.297 -2.184 434 3HD1 ILE 55 HD11 ILE 55 -5.123 0.839 -1.066 435 H SER 56 HN SER 56 1.912 0.168 -1.213 436 HA SER 56 HA SER 56 2.678 1.758 -3.632 437 1HB SER 56 HB2 SER 56 5.028 1.360 -2.800 438 2HB SER 56 HB1 SER 56 4.027 2.344 -1.738 439 HG SER 56 HG SER 56 4.723 0.892 -0.347 440 H ASP 57 HN ASP 57 4.722 0.550 -4.712 441 HA ASP 57 HA ASP 57 3.634 -2.032 -5.634 442 1HB ASP 57 HB2 ASP 57 4.512 -0.237 -7.200 443 2HB ASP 57 HB1 ASP 57 6.128 -0.617 -6.602 444 CH2 TRP 58 CH2 TRP 58 9.849 -7.363 -0.579 445 H TRP 58 HN TRP 58 6.718 -2.491 -6.315 446 HA TRP 58 HA TRP 58 7.789 -3.285 -3.719 447 1HB TRP 58 HB2 TRP 58 6.245 -5.111 -3.941 448 2HB TRP 58 HB1 TRP 58 6.683 -5.356 -5.630 449 HD1 TRP 58 HD1 TRP 58 8.805 -6.765 -6.155 450 HE1 TRP 58 HE1 TRP 58 10.424 -8.151 -4.705 451 HE3 TRP 58 HE3 TRP 58 7.400 -5.183 -1.513 452 HZ2 TRP 58 HZ2 TRP 58 11.040 -8.540 -1.937 453 HZ3 TRP 58 HZ3 TRP 58 8.516 -6.070 0.509 454 HH2 TRP 58 HH2 TRP 58 10.331 -7.748 0.308 455 H ASN 59 HN ASN 59 8.005 -4.168 -7.194 456 HA ASN 59 HA ASN 59 10.858 -3.320 -7.129 457 1HB ASN 59 HB2 ASN 59 10.944 -5.724 -6.728 458 2HB ASN 59 HB1 ASN 59 9.868 -6.019 -8.095 459 1HD2 ASN 59 HD22 ASN 59 13.757 -4.916 -8.857 460 2HD2 ASN 59 HD21 ASN 59 13.061 -4.512 -7.362 461 H MET 60 HN MET 60 10.641 -1.665 -8.585 462 HA MET 60 HA MET 60 10.528 -2.142 -11.348 463 1HB MET 60 HB2 MET 60 7.916 -2.271 -10.324 464 2HB MET 60 HB1 MET 60 8.049 -0.655 -11.012 465 1HG MET 60 HG2 MET 60 7.296 -2.178 -12.746 466 2HG MET 60 HG1 MET 60 8.934 -1.643 -13.115 467 1HE MET 60 HE1 MET 60 6.649 -4.406 -13.203 468 2HE MET 60 HE3 MET 60 7.726 -4.049 -14.562 469 3HE MET 60 HE2 MET 60 7.782 -5.626 -13.777 470 HA PRO 61 HA PRO 61 10.165 2.574 -10.474 471 1HB PRO 61 HB2 PRO 61 10.376 3.038 -7.644 472 2HB PRO 61 HB1 PRO 61 9.021 3.431 -8.711 473 1HG PRO 61 HG2 PRO 61 9.062 1.423 -6.694 474 2HG PRO 61 HG1 PRO 61 7.793 1.690 -7.899 475 1HD PRO 61 HD2 PRO 61 9.827 -0.407 -7.791 476 2HD PRO 61 HD1 PRO 61 8.366 -0.331 -8.790 477 H ASN 62 HN ASN 62 11.810 4.078 -8.766 478 HA ASN 62 HA ASN 62 14.419 3.409 -9.605 479 1HB ASN 62 HB2 ASN 62 15.200 5.096 -8.114 480 2HB ASN 62 HB1 ASN 62 13.584 5.619 -8.590 481 1HD2 ASN 62 HD22 ASN 62 12.150 4.769 -5.359 482 2HD2 ASN 62 HD21 ASN 62 11.776 4.711 -7.013 483 H MET 63 HN MET 63 15.877 1.907 -8.884 484 HA MET 63 HA MET 63 16.684 0.077 -7.646 485 1HB MET 63 HB2 MET 63 15.694 1.824 -5.369 486 2HB MET 63 HB1 MET 63 16.811 0.468 -5.204 487 1HG MET 63 HG2 MET 63 17.391 2.763 -7.077 488 2HG MET 63 HG1 MET 63 17.840 2.829 -5.373 489 1HE MET 63 HE2 MET 63 19.222 0.949 -4.172 490 2HE MET 63 HE1 MET 63 20.810 0.780 -4.915 491 3HE MET 63 HE3 MET 63 20.083 2.381 -4.729 492 H ASP 64 HN ASP 64 14.843 0.174 -4.869 493 HA ASP 64 HA ASP 64 12.614 -1.442 -5.997 494 1HB ASP 64 HB2 ASP 64 14.606 -2.376 -3.920 495 2HB ASP 64 HB1 ASP 64 13.013 -3.109 -4.093 496 H GLY 65 HN GLY 65 10.758 -1.473 -4.587 497 1HA GLY 65 HA2 GLY 65 10.523 0.881 -2.934 498 2HA GLY 65 HA1 GLY 65 9.297 -0.371 -3.087 499 H LEU 66 HN LEU 66 12.366 -1.608 -2.281 500 HA LEU 66 HA LEU 66 11.467 -2.569 0.281 501 1HB LEU 66 HB2 LEU 66 13.600 -3.112 -1.461 502 2HB LEU 66 HB1 LEU 66 14.364 -2.498 0.006 503 HG LEU 66 HG LEU 66 12.898 -4.114 1.310 504 1HD1 LEU 66 HD12 LEU 66 11.657 -4.405 -1.171 505 2HD1 LEU 66 HD11 LEU 66 12.583 -5.894 -0.981 506 3HD1 LEU 66 HD13 LEU 66 11.402 -5.428 0.243 507 1HD2 LEU 66 HD22 LEU 66 15.194 -4.712 -0.440 508 2HD2 LEU 66 HD21 LEU 66 14.972 -5.050 1.277 509 3HD2 LEU 66 HD23 LEU 66 14.289 -6.138 0.068 510 H GLU 67 HN GLU 67 14.037 -0.225 -0.562 511 HA GLU 67 HA GLU 67 14.347 0.716 2.146 512 1HB GLU 67 HB2 GLU 67 16.036 0.935 0.251 513 2HB GLU 67 HB1 GLU 67 15.025 2.230 -0.390 514 1HG GLU 67 HG2 GLU 67 16.133 3.638 0.980 515 2HG GLU 67 HG1 GLU 67 15.309 2.847 2.326 516 H LEU 68 HN LEU 68 12.085 1.367 -0.365 517 HA LEU 68 HA LEU 68 11.299 4.026 0.356 518 1HB LEU 68 HB2 LEU 68 10.640 3.030 -1.779 519 2HB LEU 68 HB1 LEU 68 9.758 1.758 -0.940 520 HG LEU 68 HG LEU 68 8.179 3.388 -0.037 521 1HD1 LEU 68 HD13 LEU 68 10.109 5.324 -1.291 522 2HD1 LEU 68 HD12 LEU 68 8.417 5.769 -1.086 523 3HD1 LEU 68 HD11 LEU 68 9.392 5.360 0.320 524 1HD2 LEU 68 HD23 LEU 68 8.712 3.503 -3.011 525 2HD2 LEU 68 HD22 LEU 68 7.516 2.533 -2.153 526 3HD2 LEU 68 HD21 LEU 68 7.304 4.279 -2.284 527 H LEU 69 HN LEU 69 9.708 0.916 1.022 528 HA LEU 69 HA LEU 69 7.948 2.028 3.025 529 1HB LEU 69 HB2 LEU 69 7.934 -0.244 1.574 530 2HB LEU 69 HB1 LEU 69 8.617 -0.869 3.072 531 HG LEU 69 HG LEU 69 6.062 0.749 2.940 532 1HD1 LEU 69 HD12 LEU 69 6.644 -2.093 2.444 533 2HD1 LEU 69 HD11 LEU 69 5.352 -1.807 3.609 534 3HD1 LEU 69 HD13 LEU 69 5.247 -1.134 1.983 535 1HD2 LEU 69 HD22 LEU 69 7.331 -0.975 5.097 536 2HD2 LEU 69 HD21 LEU 69 7.179 0.780 5.129 537 3HD2 LEU 69 HD23 LEU 69 5.738 -0.228 5.209 538 H LYS 70 HN LYS 70 10.640 -0.295 3.333 539 HA LYS 70 HA LYS 70 10.934 -0.511 6.045 540 1HB LYS 70 HB2 LYS 70 12.498 -1.424 4.253 541 2HB LYS 70 HB1 LYS 70 13.313 0.141 4.292 542 1HG LYS 70 HG2 LYS 70 13.698 -0.142 6.730 543 2HG LYS 70 HG1 LYS 70 12.943 -1.734 6.647 544 1HD LYS 70 HD2 LYS 70 14.832 -2.677 5.860 545 2HD LYS 70 HD1 LYS 70 15.003 -1.440 4.614 546 1HE LYS 70 HE2 LYS 70 16.117 0.053 6.137 547 2HE LYS 70 HE1 LYS 70 15.744 -0.984 7.514 548 1HZ LYS 70 HZ1 LYS 70 17.414 -1.818 5.208 549 2HZ LYS 70 HZ3 LYS 70 18.041 -1.223 6.668 550 3HZ LYS 70 HZ2 LYS 70 17.159 -2.676 6.653 551 H THR 71 HN THR 71 11.830 2.341 4.120 552 HA THR 71 HA THR 71 13.069 3.801 6.256 553 HB THR 71 HB THR 71 11.607 4.735 3.768 554 HG1 THR 71 HG1 THR 71 14.181 5.285 3.791 555 1HG2 THR 71 HG21 THR 71 12.750 6.218 6.059 556 2HG2 THR 71 HG23 THR 71 13.237 6.797 4.465 557 3HG2 THR 71 HG22 THR 71 11.526 6.716 4.890 558 H ILE 72 HN ILE 72 9.708 3.663 5.080 559 HA ILE 72 HA ILE 72 8.566 5.589 6.805 560 HB ILE 72 HB ILE 72 7.287 2.967 5.973 561 1HG1 ILE 72 HG12 ILE 72 7.329 5.617 4.489 562 2HG1 ILE 72 HG11 ILE 72 8.316 4.222 4.057 563 1HG2 ILE 72 HG23 ILE 72 6.058 4.296 7.667 564 2HG2 ILE 72 HG22 ILE 72 6.112 5.695 6.595 565 3HG2 ILE 72 HG21 ILE 72 5.200 4.260 6.126 566 1HD1 ILE 72 HD12 ILE 72 6.031 2.937 4.021 567 2HD1 ILE 72 HD11 ILE 72 5.330 4.548 3.878 568 3HD1 ILE 72 HD13 ILE 72 6.456 3.964 2.654 569 NH1 ARG 73 NH2 ARG 73 11.106 -1.228 12.165 570 NH2 ARG 73 NH1 ARG 73 11.196 -2.564 10.345 571 H ARG 73 HN ARG 73 9.366 2.183 7.377 572 HA ARG 73 HA ARG 73 8.292 2.304 10.121 573 1HB ARG 73 HB2 ARG 73 8.455 0.255 8.376 574 2HB ARG 73 HB1 ARG 73 9.977 0.015 9.234 575 1HG ARG 73 HG2 ARG 73 8.687 0.144 11.398 576 2HG ARG 73 HG1 ARG 73 7.203 0.144 10.444 577 1HD ARG 73 HD2 ARG 73 7.311 -2.111 10.526 578 2HD ARG 73 HD1 ARG 73 8.652 -1.980 9.387 579 HE ARG 73 HE ARG 73 8.877 -2.745 12.160 580 1HH1 ARG 73 HH21 ARG 73 10.579 -0.800 12.901 581 2HH1 ARG 73 HH22 ARG 73 12.088 -1.057 12.088 582 1HH2 ARG 73 HH11 ARG 73 10.739 -3.161 9.686 583 2HH2 ARG 73 HH12 ARG 73 12.178 -2.393 10.268 584 H ALA 74 HN ALA 74 11.125 3.238 8.601 585 HA ALA 74 HA ALA 74 12.955 2.478 10.774 586 1HB ALA 74 HB2 ALA 74 13.570 2.729 8.283 587 2HB ALA 74 HB1 ALA 74 13.524 4.467 8.575 588 3HB ALA 74 HB3 ALA 74 14.668 3.455 9.456 589 H ASP 75 HN ASP 75 11.003 5.216 9.836 590 HA ASP 75 HA ASP 75 12.195 7.369 11.118 591 1HB ASP 75 HB2 ASP 75 9.563 6.700 10.239 592 2HB ASP 75 HB1 ASP 75 9.429 7.397 11.855 593 H GLY 76 HN GLY 76 11.127 4.455 12.574 594 1HA GLY 76 HA2 GLY 76 11.245 3.744 14.810 595 2HA GLY 76 HA1 GLY 76 12.146 5.220 15.155 596 H ALA 77 HN ALA 77 9.395 6.227 13.666 597 HA ALA 77 HA ALA 77 7.676 6.145 16.077 598 1HB ALA 77 HB1 ALA 77 9.324 8.229 15.953 599 2HB ALA 77 HB3 ALA 77 8.112 8.828 14.820 600 3HB ALA 77 HB2 ALA 77 7.652 8.430 16.475 601 H MET 78 HN MET 78 7.630 5.163 13.232 602 HA MET 78 HA MET 78 4.960 6.288 12.544 603 1HB MET 78 HB2 MET 78 7.337 6.027 10.686 604 2HB MET 78 HB1 MET 78 5.680 6.177 10.099 605 1HG MET 78 HG2 MET 78 6.955 8.159 12.000 606 2HG MET 78 HG1 MET 78 6.938 8.367 10.250 607 1HE MET 78 HE1 MET 78 6.153 10.542 11.116 608 2HE MET 78 HE3 MET 78 5.132 10.422 9.676 609 3HE MET 78 HE2 MET 78 4.449 10.982 11.201 610 H SER 79 HN SER 79 6.215 3.707 13.666 611 HA SER 79 HA SER 79 5.552 1.742 11.578 612 1HB SER 79 HB2 SER 79 6.286 0.083 13.166 613 2HB SER 79 HB1 SER 79 7.424 1.425 13.252 614 HG SER 79 HG SER 79 6.909 1.100 15.325 615 H ALA 80 HN ALA 80 3.322 3.265 12.032 616 HA ALA 80 HA ALA 80 1.504 1.278 13.276 617 1HB ALA 80 HB1 ALA 80 2.262 3.488 14.720 618 2HB ALA 80 HB3 ALA 80 0.796 4.064 13.925 619 3HB ALA 80 HB2 ALA 80 0.741 2.623 14.941 620 H LEU 81 HN LEU 81 2.260 3.000 10.630 621 HA LEU 81 HA LEU 81 -0.477 3.836 9.937 622 1HB LEU 81 HB2 LEU 81 1.882 4.963 9.322 623 2HB LEU 81 HB1 LEU 81 1.719 3.899 7.928 624 HG LEU 81 HG LEU 81 -0.574 4.843 7.540 625 1HD1 LEU 81 HD13 LEU 81 0.124 6.270 10.035 626 2HD1 LEU 81 HD12 LEU 81 -0.557 7.290 8.768 627 3HD1 LEU 81 HD11 LEU 81 -1.458 5.893 9.355 628 1HD2 LEU 81 HD23 LEU 81 1.963 6.397 7.385 629 2HD2 LEU 81 HD22 LEU 81 0.900 5.850 6.091 630 3HD2 LEU 81 HD21 LEU 81 0.468 7.268 7.045 631 HA PRO 82 HA PRO 82 -0.997 -0.343 8.259 632 1HB PRO 82 HB2 PRO 82 -3.344 0.446 6.794 633 2HB PRO 82 HB1 PRO 82 -3.245 -0.523 8.268 634 1HG PRO 82 HG2 PRO 82 -4.148 2.196 8.007 635 2HG PRO 82 HG1 PRO 82 -4.058 1.218 9.474 636 1HD PRO 82 HD2 PRO 82 -2.372 3.428 8.740 637 2HD PRO 82 HD1 PRO 82 -2.265 2.414 10.194 638 H VAL 83 HN VAL 83 0.741 -0.357 6.812 639 HA VAL 83 HA VAL 83 0.354 0.875 4.128 640 HB VAL 83 HB VAL 83 2.748 -0.351 5.533 641 1HG1 VAL 83 HG13 VAL 83 2.192 -0.020 2.582 642 2HG1 VAL 83 HG12 VAL 83 3.821 0.235 3.188 643 3HG1 VAL 83 HG11 VAL 83 3.040 -1.323 3.419 644 1HG2 VAL 83 HG22 VAL 83 1.827 2.246 5.282 645 2HG2 VAL 83 HG21 VAL 83 3.498 1.788 5.609 646 3HG2 VAL 83 HG23 VAL 83 2.983 2.119 3.955 647 H LEU 84 HN LEU 84 -0.796 -0.502 2.791 648 HA LEU 84 HA LEU 84 -0.243 -3.373 3.113 649 1HB LEU 84 HB2 LEU 84 -2.640 -2.681 2.870 650 2HB LEU 84 HB1 LEU 84 -2.257 -2.007 1.297 651 HG LEU 84 HG LEU 84 -2.151 -4.074 0.273 652 1HD1 LEU 84 HD13 LEU 84 -1.388 -5.300 2.940 653 2HD1 LEU 84 HD12 LEU 84 -1.643 -6.218 1.463 654 3HD1 LEU 84 HD11 LEU 84 -0.322 -5.063 1.556 655 1HD2 LEU 84 HD22 LEU 84 -4.388 -3.833 1.308 656 2HD2 LEU 84 HD21 LEU 84 -3.916 -5.524 1.144 657 3HD2 LEU 84 HD23 LEU 84 -3.815 -4.729 2.715 658 H MET 85 HN MET 85 1.681 -3.760 2.161 659 HA MET 85 HA MET 85 2.541 -2.282 -0.169 660 1HB MET 85 HB2 MET 85 4.107 -3.075 1.538 661 2HB MET 85 HB1 MET 85 3.668 -4.749 1.208 662 1HG MET 85 HG2 MET 85 5.737 -4.261 0.021 663 2HG MET 85 HG1 MET 85 4.455 -4.411 -1.175 664 1HE MET 85 HE2 MET 85 7.229 -2.491 0.241 665 2HE MET 85 HE1 MET 85 7.386 -2.848 -1.472 666 3HE MET 85 HE3 MET 85 7.358 -1.172 -0.916 667 H VAL 86 HN VAL 86 2.858 -3.191 -2.291 668 HA VAL 86 HA VAL 86 1.179 -5.606 -2.847 669 HB VAL 86 HB VAL 86 1.483 -3.171 -4.614 670 1HG1 VAL 86 HG11 VAL 86 -0.249 -5.643 -4.682 671 2HG1 VAL 86 HG13 VAL 86 -0.633 -4.196 -5.612 672 3HG1 VAL 86 HG12 VAL 86 0.873 -5.064 -5.909 673 1HG2 VAL 86 HG21 VAL 86 -0.583 -3.895 -2.530 674 2HG2 VAL 86 HG23 VAL 86 0.316 -2.389 -2.699 675 3HG2 VAL 86 HG22 VAL 86 -0.952 -2.796 -3.857 676 H THR 87 HN THR 87 1.927 -7.017 -4.484 677 HA THR 87 HA THR 87 4.513 -6.302 -5.782 678 HB THR 87 HB THR 87 4.052 -8.750 -4.057 679 HG1 THR 87 HG1 THR 87 4.731 -6.897 -2.961 680 1HG2 THR 87 HG21 THR 87 6.194 -8.097 -6.082 681 2HG2 THR 87 HG23 THR 87 6.474 -9.234 -4.762 682 3HG2 THR 87 HG22 THR 87 5.219 -9.561 -5.957 683 H ALA 88 HN ALA 88 5.067 -7.866 -7.526 684 HA ALA 88 HA ALA 88 2.582 -8.938 -8.792 685 1HB ALA 88 HB1 ALA 88 5.243 -8.047 -9.930 686 2HB ALA 88 HB3 ALA 88 4.038 -8.914 -10.884 687 3HB ALA 88 HB2 ALA 88 3.656 -7.329 -10.210 688 H GLU 89 HN GLU 89 6.078 -9.729 -8.768 689 HA GLU 89 HA GLU 89 5.360 -12.608 -8.952 690 1HB GLU 89 HB2 GLU 89 7.148 -11.423 -10.426 691 2HB GLU 89 HB1 GLU 89 8.165 -11.501 -8.988 692 1HG GLU 89 HG2 GLU 89 8.725 -13.541 -9.878 693 2HG GLU 89 HG1 GLU 89 7.270 -14.044 -9.015 694 H ALA 90 HN ALA 90 4.652 -12.849 -6.746 695 HA ALA 90 HA ALA 90 6.486 -12.189 -4.561 696 1HB ALA 90 HB1 ALA 90 3.774 -12.507 -4.715 697 2HB ALA 90 HB3 ALA 90 4.264 -14.048 -4.013 698 3HB ALA 90 HB2 ALA 90 4.695 -12.536 -3.211 699 H LYS 91 HN LYS 91 7.256 -13.867 -3.045 700 HA LYS 91 HA LYS 91 7.457 -16.604 -4.146 701 1HB LYS 91 HB2 LYS 91 9.524 -14.727 -4.520 702 2HB LYS 91 HB1 LYS 91 10.062 -15.764 -3.197 703 1HG LYS 91 HG2 LYS 91 9.549 -17.762 -4.581 704 2HG LYS 91 HG1 LYS 91 9.085 -16.700 -5.911 705 1HD LYS 91 HD2 LYS 91 11.348 -15.741 -5.956 706 2HD LYS 91 HD1 LYS 91 11.821 -16.771 -4.604 707 1HE LYS 91 HE2 LYS 91 11.293 -18.774 -5.982 708 2HE LYS 91 HE1 LYS 91 10.918 -17.715 -7.341 709 1HZ LYS 91 HZ3 LYS 91 13.342 -16.835 -6.557 710 2HZ LYS 91 HZ2 LYS 91 13.474 -18.505 -6.275 711 3HZ LYS 91 HZ1 LYS 91 13.072 -17.931 -7.823 712 H LYS 92 HN LYS 92 8.108 -18.146 -2.507 713 HA LYS 92 HA LYS 92 7.016 -17.763 0.042 714 1HB LYS 92 HB2 LYS 92 8.470 -19.798 -1.295 715 2HB LYS 92 HB1 LYS 92 9.270 -19.539 0.256 716 1HG LYS 92 HG2 LYS 92 7.129 -19.801 1.428 717 2HG LYS 92 HG1 LYS 92 6.295 -20.005 -0.113 718 1HD LYS 92 HD2 LYS 92 6.688 -22.217 0.076 719 2HD LYS 92 HD1 LYS 92 8.394 -21.861 -0.194 720 1HE LYS 92 HE2 LYS 92 8.699 -21.523 2.240 721 2HE LYS 92 HE1 LYS 92 7.000 -21.919 2.500 722 1HZ LYS 92 HZ3 LYS 92 8.748 -23.784 1.039 723 2HZ LYS 92 HZ2 LYS 92 8.768 -23.757 2.737 724 3HZ LYS 92 HZ1 LYS 92 7.328 -24.107 1.906 725 H GLU 93 HN GLU 93 10.457 -17.431 -0.886 726 HA GLU 93 HA GLU 93 11.209 -16.530 1.748 727 1HB GLU 93 HB2 GLU 93 12.846 -16.097 -0.739 728 2HB GLU 93 HB1 GLU 93 13.404 -16.391 0.909 729 1HG GLU 93 HG2 GLU 93 13.669 -18.532 0.177 730 2HG GLU 93 HG1 GLU 93 11.931 -18.643 0.464 731 H ASN 94 HN ASN 94 11.023 -14.879 -1.423 732 HA ASN 94 HA ASN 94 11.648 -12.288 -0.471 733 1HB ASN 94 HB2 ASN 94 11.529 -11.941 -2.684 734 2HB ASN 94 HB1 ASN 94 10.646 -13.449 -2.910 735 1HD2 ASN 94 HD22 ASN 94 7.412 -11.843 -2.746 736 2HD2 ASN 94 HD21 ASN 94 8.200 -13.294 -2.349 737 H ILE 95 HN ILE 95 8.889 -14.153 0.242 738 HA ILE 95 HA ILE 95 7.143 -11.805 0.562 739 HB ILE 95 HB ILE 95 6.776 -14.766 0.870 740 1HG1 ILE 95 HG12 ILE 95 5.144 -12.570 -0.449 741 2HG1 ILE 95 HG11 ILE 95 6.400 -13.492 -1.270 742 1HG2 ILE 95 HG22 ILE 95 5.040 -12.601 2.100 743 2HG2 ILE 95 HG21 ILE 95 4.449 -14.224 1.761 744 3HG2 ILE 95 HG23 ILE 95 5.755 -13.990 2.919 745 1HD1 ILE 95 HD12 ILE 95 3.944 -14.699 0.030 746 2HD1 ILE 95 HD11 ILE 95 4.125 -14.398 -1.698 747 3HD1 ILE 95 HD13 ILE 95 5.171 -15.568 -0.893 748 H ILE 96 HN ILE 96 9.613 -13.202 2.357 749 HA ILE 96 HA ILE 96 8.415 -12.485 4.981 750 HB ILE 96 HB ILE 96 10.985 -13.800 4.124 751 1HG1 ILE 96 HG12 ILE 96 10.287 -15.476 5.746 752 2HG1 ILE 96 HG11 ILE 96 8.986 -14.432 6.319 753 1HG2 ILE 96 HG23 ILE 96 10.463 -12.232 6.656 754 2HG2 ILE 96 HG22 ILE 96 11.562 -13.609 6.665 755 3HG2 ILE 96 HG21 ILE 96 11.901 -12.224 5.631 756 1HD1 ILE 96 HD11 ILE 96 9.150 -15.263 3.425 757 2HD1 ILE 96 HD13 ILE 96 8.373 -16.294 4.627 758 3HD1 ILE 96 HD12 ILE 96 7.751 -14.673 4.322 759 H ALA 97 HN ALA 97 11.094 -11.558 2.851 760 HA ALA 97 HA ALA 97 12.200 -9.429 4.259 761 1HB ALA 97 HB3 ALA 97 11.616 -9.764 1.311 762 2HB ALA 97 HB2 ALA 97 12.448 -8.337 1.931 763 3HB ALA 97 HB1 ALA 97 13.162 -9.937 2.141 764 H ALA 98 HN ALA 98 9.050 -9.761 2.897 765 HA ALA 98 HA ALA 98 8.251 -7.109 2.562 766 1HB ALA 98 HB3 ALA 98 6.852 -9.613 3.272 767 2HB ALA 98 HB2 ALA 98 5.999 -8.134 3.646 768 3HB ALA 98 HB1 ALA 98 6.498 -8.459 1.996 769 H ALA 99 HN ALA 99 8.109 -9.017 5.621 770 HA ALA 99 HA ALA 99 7.176 -6.937 7.254 771 1HB ALA 99 HB3 ALA 99 7.647 -9.259 8.061 772 2HB ALA 99 HB2 ALA 99 9.375 -8.923 7.952 773 3HB ALA 99 HB1 ALA 99 8.376 -8.038 9.106 774 H GLN 100 HN GLN 100 10.500 -7.562 6.090 775 HA GLN 100 HA GLN 100 11.713 -5.346 7.468 776 1HB GLN 100 HB2 GLN 100 12.477 -7.249 5.431 777 2HB GLN 100 HB1 GLN 100 13.000 -5.631 4.959 778 1HG GLN 100 HG2 GLN 100 14.739 -6.707 6.316 779 2HG GLN 100 HG1 GLN 100 14.047 -5.341 7.194 780 1HE2 GLN 100 HE22 GLN 100 13.363 -9.153 8.541 781 2HE2 GLN 100 HE21 GLN 100 13.973 -8.911 6.975 782 H ALA 101 HN ALA 101 9.820 -5.628 4.540 783 HA ALA 101 HA ALA 101 9.688 -2.646 4.362 784 1HB ALA 101 HB1 ALA 101 10.222 -4.588 2.110 785 2HB ALA 101 HB3 ALA 101 9.512 -2.999 1.817 786 3HB ALA 101 HB2 ALA 101 11.120 -3.129 2.530 787 H GLY 102 HN GLY 102 8.318 -5.375 2.561 788 1HA GLY 102 HA2 GLY 102 5.692 -4.494 2.335 789 2HA GLY 102 HA1 GLY 102 6.127 -6.192 2.351 790 H ALA 103 HN ALA 103 5.455 -3.502 4.197 791 HA ALA 103 HA ALA 103 5.612 -4.514 6.807 792 1HB ALA 103 HB2 ALA 103 4.189 -2.188 5.611 793 2HB ALA 103 HB1 ALA 103 4.323 -2.456 7.351 794 3HB ALA 103 HB3 ALA 103 5.776 -2.220 6.382 795 H SER 104 HN SER 104 2.726 -2.961 6.646 796 HA SER 104 HA SER 104 1.193 -4.605 8.172 797 1HB SER 104 HB2 SER 104 -0.248 -3.522 5.805 798 2HB SER 104 HB1 SER 104 -0.644 -3.406 7.519 799 HG SER 104 HG SER 104 1.149 -1.976 7.719 800 H GLY 105 HN GLY 105 1.058 -4.881 4.607 801 1HA GLY 105 HA2 GLY 105 0.801 -7.787 4.889 802 2HA GLY 105 HA1 GLY 105 -0.622 -6.987 4.270 803 OH TYR 106 OH TYR 106 2.371 -13.225 -2.749 804 H TYR 106 HN TYR 106 0.518 -8.783 2.661 805 HA TYR 106 HA TYR 106 1.703 -7.071 0.538 806 1HB TYR 106 HB2 TYR 106 3.645 -8.234 0.604 807 2HB TYR 106 HB1 TYR 106 3.019 -9.262 1.892 808 HD1 TYR 106 HD1 TYR 106 3.198 -8.845 -1.811 809 HD2 TYR 106 HD2 TYR 106 2.216 -11.473 1.445 810 HE1 TYR 106 HE1 TYR 106 2.997 -10.735 -3.390 811 HE2 TYR 106 HE2 TYR 106 2.015 -13.362 -0.138 812 HH TYR 106 HH TYR 106 1.775 -13.870 -2.362 813 H VAL 107 HN VAL 107 0.168 -7.114 -1.016 814 HA VAL 107 HA VAL 107 -1.394 -9.632 -1.416 815 HB VAL 107 HB VAL 107 -2.677 -7.564 -0.817 816 1HG1 VAL 107 HG13 VAL 107 -0.963 -6.176 -2.242 817 2HG1 VAL 107 HG12 VAL 107 -2.083 -6.513 -3.555 818 3HG1 VAL 107 HG11 VAL 107 -2.637 -5.648 -2.124 819 1HG2 VAL 107 HG23 VAL 107 -3.053 -9.144 -3.311 820 2HG2 VAL 107 HG22 VAL 107 -4.127 -8.940 -1.930 821 3HG2 VAL 107 HG21 VAL 107 -4.027 -7.683 -3.160 822 H VAL 108 HN VAL 108 -0.616 -10.789 -3.086 823 HA VAL 108 HA VAL 108 1.152 -9.647 -5.055 824 HB VAL 108 HB VAL 108 1.489 -11.955 -4.667 825 1HG1 VAL 108 HG12 VAL 108 -1.467 -11.968 -4.516 826 2HG1 VAL 108 HG11 VAL 108 -0.740 -13.422 -5.200 827 3HG1 VAL 108 HG13 VAL 108 -0.287 -12.888 -3.582 828 1HG2 VAL 108 HG21 VAL 108 1.144 -11.177 -7.162 829 2HG2 VAL 108 HG23 VAL 108 1.316 -12.893 -6.798 830 3HG2 VAL 108 HG22 VAL 108 -0.284 -12.207 -7.078 831 H LYS 109 HN LYS 109 0.194 -8.078 -6.366 832 HA LYS 109 HA LYS 109 -2.526 -8.199 -7.247 833 1HB LYS 109 HB2 LYS 109 -2.084 -6.090 -7.940 834 2HB LYS 109 HB1 LYS 109 -0.467 -6.327 -7.301 835 1HG LYS 109 HG2 LYS 109 0.245 -7.233 -9.527 836 2HG LYS 109 HG1 LYS 109 -1.361 -6.840 -10.155 837 1HD LYS 109 HD2 LYS 109 -1.032 -4.493 -9.722 838 2HD LYS 109 HD1 LYS 109 0.471 -4.811 -8.856 839 1HE LYS 109 HE2 LYS 109 1.674 -5.055 -10.774 840 2HE LYS 109 HE1 LYS 109 0.366 -5.903 -11.600 841 1HZ LYS 109 HZ3 LYS 109 0.189 -3.014 -11.016 842 2HZ LYS 109 HZ2 LYS 109 0.982 -3.581 -12.408 843 3HZ LYS 109 HZ1 LYS 109 -0.666 -3.918 -12.169 844 HA PRO 110 HA PRO 110 -3.510 -7.280 -9.324 845 1HB PRO 110 HB2 PRO 110 -5.401 -8.903 -10.744 846 2HB PRO 110 HB1 PRO 110 -4.564 -7.460 -11.332 847 1HG PRO 110 HG2 PRO 110 -4.146 -10.143 -12.200 848 2HG PRO 110 HG1 PRO 110 -3.192 -8.721 -12.646 849 1HD PRO 110 HD2 PRO 110 -2.497 -10.895 -10.801 850 2HD PRO 110 HD1 PRO 110 -1.449 -9.643 -11.498 851 H PHE 111 HN PHE 111 -5.476 -7.246 -8.030 852 HA PHE 111 HA PHE 111 -6.203 -9.849 -6.735 853 1HB PHE 111 HB2 PHE 111 -6.675 -8.390 -4.666 854 2HB PHE 111 HB1 PHE 111 -4.996 -8.761 -5.017 855 HD1 PHE 111 HD2 PHE 111 -7.662 -6.175 -5.555 856 HD2 PHE 111 HD1 PHE 111 -3.463 -7.037 -5.338 857 HE1 PHE 111 HE2 PHE 111 -7.137 -3.755 -5.747 858 HE2 PHE 111 HE1 PHE 111 -2.941 -4.621 -5.514 859 HZ PHE 111 HZ PHE 111 -4.785 -2.977 -5.717 860 H THR 112 HN THR 112 -8.337 -9.848 -5.797 861 HA THR 112 HA THR 112 -10.234 -8.180 -7.375 862 HB THR 112 HB THR 112 -11.279 -10.291 -5.576 863 HG1 THR 112 HG1 THR 112 -9.464 -11.359 -6.274 864 1HG2 THR 112 HG22 THR 112 -12.534 -8.934 -7.342 865 2HG2 THR 112 HG21 THR 112 -11.672 -9.892 -8.545 866 3HG2 THR 112 HG23 THR 112 -12.758 -10.683 -7.404 867 H ALA 113 HN ALA 113 -11.823 -6.918 -6.215 868 HA ALA 113 HA ALA 113 -10.967 -5.587 -3.929 869 1HB ALA 113 HB3 ALA 113 -13.061 -5.159 -5.451 870 2HB ALA 113 HB2 ALA 113 -13.904 -6.167 -4.276 871 3HB ALA 113 HB1 ALA 113 -13.128 -4.670 -3.758 872 H ALA 114 HN ALA 114 -12.712 -8.654 -4.107 873 HA ALA 114 HA ALA 114 -13.185 -8.842 -1.275 874 1HB ALA 114 HB2 ALA 114 -13.452 -10.578 -3.611 875 2HB ALA 114 HB1 ALA 114 -12.871 -11.461 -2.199 876 3HB ALA 114 HB3 ALA 114 -14.391 -10.570 -2.118 877 H THR 115 HN THR 115 -10.493 -9.676 -3.385 878 HA THR 115 HA THR 115 -8.984 -11.032 -1.321 879 HB THR 115 HB THR 115 -8.260 -9.846 -3.997 880 HG1 THR 115 HG1 THR 115 -8.262 -11.899 -4.595 881 1HG2 THR 115 HG21 THR 115 -6.446 -11.084 -1.914 882 2HG2 THR 115 HG23 THR 115 -6.011 -10.969 -3.619 883 3HG2 THR 115 HG22 THR 115 -6.272 -9.504 -2.675 884 H LEU 116 HN LEU 116 -8.250 -7.813 -2.899 885 HA LEU 116 HA LEU 116 -6.527 -6.882 -0.902 886 1HB LEU 116 HB2 LEU 116 -7.497 -5.719 -3.086 887 2HB LEU 116 HB1 LEU 116 -8.611 -4.997 -1.935 888 HG LEU 116 HG LEU 116 -6.632 -4.287 -0.550 889 1HD1 LEU 116 HD11 LEU 116 -5.230 -5.722 -2.720 890 2HD1 LEU 116 HD13 LEU 116 -4.555 -4.143 -2.324 891 3HD1 LEU 116 HD12 LEU 116 -4.709 -5.376 -1.073 892 1HD2 LEU 116 HD21 LEU 116 -7.816 -2.788 -2.182 893 2HD2 LEU 116 HD23 LEU 116 -6.124 -2.358 -1.924 894 3HD2 LEU 116 HD22 LEU 116 -6.601 -3.221 -3.385 895 H GLU 117 HN GLU 117 -10.096 -6.884 -0.860 896 HA GLU 117 HA GLU 117 -10.382 -5.409 1.552 897 1HB GLU 117 HB2 GLU 117 -12.301 -5.806 0.115 898 2HB GLU 117 HB1 GLU 117 -12.153 -7.546 0.354 899 1HG GLU 117 HG2 GLU 117 -12.309 -6.045 2.871 900 2HG GLU 117 HG1 GLU 117 -13.744 -5.865 1.861 901 H GLU 118 HN GLU 118 -10.403 -8.935 1.035 902 HA GLU 118 HA GLU 118 -10.619 -9.803 3.672 903 1HB GLU 118 HB2 GLU 118 -9.311 -10.873 1.227 904 2HB GLU 118 HB1 GLU 118 -8.794 -11.584 2.756 905 1HG GLU 118 HG2 GLU 118 -11.707 -11.268 1.996 906 2HG GLU 118 HG1 GLU 118 -10.779 -12.727 1.649 907 H LYS 119 HN LYS 119 -7.889 -8.262 2.111 908 HA LYS 119 HA LYS 119 -6.018 -8.901 4.265 909 1HB LYS 119 HB2 LYS 119 -5.826 -6.825 2.060 910 2HB LYS 119 HB1 LYS 119 -4.500 -7.359 3.090 911 1HG LYS 119 HG2 LYS 119 -6.083 -9.145 1.214 912 2HG LYS 119 HG1 LYS 119 -4.474 -8.503 0.886 913 1HD LYS 119 HD2 LYS 119 -4.006 -9.621 3.297 914 2HD LYS 119 HD1 LYS 119 -5.305 -10.676 2.742 915 1HE LYS 119 HE2 LYS 119 -4.062 -11.095 0.645 916 2HE LYS 119 HE1 LYS 119 -2.755 -10.059 1.220 917 1HZ LYS 119 HZ2 LYS 119 -2.801 -11.619 3.253 918 2HZ LYS 119 HZ1 LYS 119 -3.602 -12.696 2.212 919 3HZ LYS 119 HZ3 LYS 119 -2.045 -12.148 1.826 920 H LEU 120 HN LEU 120 -7.716 -5.944 3.179 921 HA LEU 120 HA LEU 120 -6.813 -4.221 5.213 922 1HB LEU 120 HB2 LEU 120 -8.384 -3.787 3.138 923 2HB LEU 120 HB1 LEU 120 -9.678 -4.122 4.281 924 HG LEU 120 HG LEU 120 -7.924 -2.321 5.604 925 1HD1 LEU 120 HD12 LEU 120 -7.081 -1.869 3.239 926 2HD1 LEU 120 HD11 LEU 120 -8.698 -1.272 2.872 927 3HD1 LEU 120 HD13 LEU 120 -7.719 -0.468 4.098 928 1HD2 LEU 120 HD23 LEU 120 -10.620 -1.972 4.266 929 2HD2 LEU 120 HD22 LEU 120 -10.321 -2.405 5.949 930 3HD2 LEU 120 HD21 LEU 120 -9.901 -0.795 5.365 931 H ASN 121 HN ASN 121 -9.697 -6.324 5.195 932 HA ASN 121 HA ASN 121 -10.616 -5.672 7.802 933 1HB ASN 121 HB2 ASN 121 -11.648 -7.169 5.865 934 2HB ASN 121 HB1 ASN 121 -10.901 -8.471 6.791 935 1HD2 ASN 121 HD22 ASN 121 -13.707 -6.224 8.805 936 2HD2 ASN 121 HD21 ASN 121 -12.626 -5.441 7.756 937 H LYS 122 HN LYS 122 -8.453 -8.300 6.745 938 HA LYS 122 HA LYS 122 -8.047 -9.421 9.329 939 1HB LYS 122 HB2 LYS 122 -7.370 -10.464 7.125 940 2HB LYS 122 HB1 LYS 122 -6.017 -9.337 7.075 941 1HG LYS 122 HG2 LYS 122 -6.262 -10.806 9.626 942 2HG LYS 122 HG1 LYS 122 -5.922 -11.825 8.230 943 1HD LYS 122 HD2 LYS 122 -3.933 -10.636 7.710 944 2HD LYS 122 HD1 LYS 122 -4.364 -9.296 8.774 945 1HE LYS 122 HE2 LYS 122 -2.665 -11.269 9.513 946 2HE LYS 122 HE1 LYS 122 -3.680 -10.397 10.663 947 1HZ LYS 122 HZ3 LYS 122 -4.447 -12.922 9.303 948 2HZ LYS 122 HZ2 LYS 122 -3.850 -12.819 10.890 949 3HZ LYS 122 HZ1 LYS 122 -5.340 -12.106 10.491 950 H ILE 123 HN ILE 123 -6.648 -6.622 7.755 951 HA ILE 123 HA ILE 123 -4.527 -6.312 9.763 952 HB ILE 123 HB ILE 123 -5.535 -4.508 7.540 953 1HG1 ILE 123 HG12 ILE 123 -2.895 -5.968 7.763 954 2HG1 ILE 123 HG11 ILE 123 -4.313 -6.702 7.014 955 1HG2 ILE 123 HG21 ILE 123 -3.797 -3.925 9.807 956 2HG2 ILE 123 HG23 ILE 123 -2.943 -3.740 8.280 957 3HG2 ILE 123 HG22 ILE 123 -4.422 -2.836 8.571 958 1HD1 ILE 123 HD11 ILE 123 -3.640 -3.953 6.112 959 2HD1 ILE 123 HD13 ILE 123 -2.520 -5.225 5.626 960 3HD1 ILE 123 HD12 ILE 123 -4.223 -5.333 5.181 961 H PHE 124 HN PHE 124 -7.724 -4.966 9.082 962 HA PHE 124 HA PHE 124 -7.505 -3.072 11.317 963 1HB PHE 124 HB2 PHE 124 -9.591 -3.687 9.238 964 2HB PHE 124 HB1 PHE 124 -9.990 -2.718 10.647 965 HD1 PHE 124 HD2 PHE 124 -6.498 -2.453 9.449 966 HD2 PHE 124 HD1 PHE 124 -10.482 -0.894 9.038 967 HE1 PHE 124 HE2 PHE 124 -5.596 -0.424 8.389 968 HE2 PHE 124 HE1 PHE 124 -9.561 1.140 7.962 969 HZ PHE 124 HZ PHE 124 -7.135 1.362 7.644 970 H GLU 125 HN GLU 125 -8.050 -6.317 11.115 971 HA GLU 125 HA GLU 125 -10.183 -6.490 13.111 972 1HB GLU 125 HB2 GLU 125 -8.625 -8.346 11.486 973 2HB GLU 125 HB1 GLU 125 -8.697 -8.882 13.164 974 1HG GLU 125 HG2 GLU 125 -11.106 -8.822 13.161 975 2HG GLU 125 HG1 GLU 125 -11.135 -8.038 11.581 976 H LYS 126 HN LYS 126 -6.740 -6.184 12.973 977 HA LYS 126 HA LYS 126 -6.444 -6.666 15.884 978 1HB LYS 126 HB2 LYS 126 -4.506 -6.201 13.610 979 2HB LYS 126 HB1 LYS 126 -3.987 -6.087 15.291 980 1HG LYS 126 HG2 LYS 126 -5.551 -8.496 14.446 981 2HG LYS 126 HG1 LYS 126 -3.850 -8.395 13.991 982 1HD LYS 126 HD2 LYS 126 -3.112 -8.486 16.181 983 2HD LYS 126 HD1 LYS 126 -4.589 -7.764 16.819 984 1HE LYS 126 HE2 LYS 126 -4.203 -10.296 17.238 985 2HE LYS 126 HE1 LYS 126 -5.791 -9.788 16.663 986 1HZ LYS 126 HZ3 LYS 126 -4.273 -10.155 14.402 987 2HZ LYS 126 HZ2 LYS 126 -3.880 -11.470 15.403 988 3HZ LYS 126 HZ1 LYS 126 -5.498 -11.175 14.977 989 H LEU 127 HN LEU 127 -6.489 -4.127 13.456 990 HA LEU 127 HA LEU 127 -5.554 -2.029 15.232 991 1HB LEU 127 HB2 LEU 127 -5.764 -2.134 12.550 992 2HB LEU 127 HB1 LEU 127 -7.320 -1.378 12.900 993 HG LEU 127 HG LEU 127 -5.851 0.171 14.470 994 1HD1 LEU 127 HD13 LEU 127 -3.758 -1.096 14.079 995 2HD1 LEU 127 HD12 LEU 127 -3.876 -0.749 12.355 996 3HD1 LEU 127 HD11 LEU 127 -3.616 0.564 13.503 997 1HD2 LEU 127 HD23 LEU 127 -5.882 0.409 11.442 998 2HD2 LEU 127 HD22 LEU 127 -7.172 0.930 12.526 999 3HD2 LEU 127 HD21 LEU 127 -5.606 1.738 12.569 1000 H GLY 128 HN GLY 128 -8.624 -3.556 14.519 1001 1HA GLY 128 HA2 GLY 128 -10.793 -3.122 15.330 1002 2HA GLY 128 HA1 GLY 128 -9.935 -2.877 16.850 1003 H MET 129 HN MET 129 -11.285 -1.250 14.037 1004 HA MET 129 HA MET 129 -10.692 1.400 15.189 1005 1HB MET 129 HB2 MET 129 -12.024 0.464 12.640 1006 2HB MET 129 HB1 MET 129 -11.991 2.156 13.120 1007 1HG MET 129 HG2 MET 129 -9.355 0.953 13.349 1008 2HG MET 129 HG1 MET 129 -9.993 0.790 11.715 1009 1HE MET 129 HE3 MET 129 -9.074 2.997 14.631 1010 2HE MET 129 HE2 MET 129 -9.325 4.657 14.094 1011 3HE MET 129 HE1 MET 129 -10.715 3.627 14.424 Start of MODEL 14 Raw file had 1011 H/Q atoms Start of MODEL 14 1 H ALA 2 HN ALA 2 -14.694 -1.083 9.357 2 HA ALA 2 HA ALA 2 -12.936 0.309 10.045 3 1HB ALA 2 HB2 ALA 2 -12.117 -1.093 7.865 4 2HB ALA 2 HB1 ALA 2 -11.887 0.552 7.277 5 3HB ALA 2 HB3 ALA 2 -11.070 0.018 8.746 6 H ASP 3 HN ASP 3 -11.734 2.490 9.313 7 HA ASP 3 HA ASP 3 -13.641 4.552 9.342 8 1HB ASP 3 HB2 ASP 3 -10.767 4.343 9.063 9 2HB ASP 3 HB1 ASP 3 -11.397 5.627 8.030 10 H LYS 4 HN LYS 4 -14.594 5.838 7.742 11 HA LYS 4 HA LYS 4 -14.683 4.633 5.044 12 1HB LYS 4 HB2 LYS 4 -16.270 6.818 6.409 13 2HB LYS 4 HB1 LYS 4 -16.465 6.448 4.705 14 1HG LYS 4 HG2 LYS 4 -16.638 3.943 5.941 15 2HG LYS 4 HG1 LYS 4 -17.488 5.018 7.045 16 1HD LYS 4 HD2 LYS 4 -18.952 5.787 5.275 17 2HD LYS 4 HD1 LYS 4 -18.028 4.901 4.062 18 1HE LYS 4 HE2 LYS 4 -19.318 3.501 6.403 19 2HE LYS 4 HE1 LYS 4 -20.190 3.797 4.899 20 1HZ LYS 4 HZ2 LYS 4 -18.395 2.650 3.713 21 2HZ LYS 4 HZ1 LYS 4 -17.649 2.292 5.197 22 3HZ LYS 4 HZ3 LYS 4 -19.171 1.638 4.835 23 H GLU 5 HN GLU 5 -12.402 6.353 6.250 24 HA GLU 5 HA GLU 5 -11.898 7.833 3.775 25 1HB GLU 5 HB2 GLU 5 -13.315 9.404 5.127 26 2HB GLU 5 HB1 GLU 5 -12.084 9.362 6.389 27 1HG GLU 5 HG2 GLU 5 -11.082 11.070 5.303 28 2HG GLU 5 HG1 GLU 5 -10.646 9.904 4.055 29 H LEU 6 HN LEU 6 -10.458 5.707 4.797 30 HA LEU 6 HA LEU 6 -8.308 6.693 6.457 31 1HB LEU 6 HB2 LEU 6 -9.007 4.321 6.512 32 2HB LEU 6 HB1 LEU 6 -8.494 4.139 4.839 33 HG LEU 6 HG LEU 6 -6.169 4.599 5.443 34 1HD1 LEU 6 HD13 LEU 6 -7.422 5.269 8.093 35 2HD1 LEU 6 HD12 LEU 6 -5.770 4.654 8.047 36 3HD1 LEU 6 HD11 LEU 6 -6.180 6.144 7.198 37 1HD2 LEU 6 HD21 LEU 6 -7.669 2.530 7.013 38 2HD2 LEU 6 HD23 LEU 6 -6.552 2.320 5.665 39 3HD2 LEU 6 HD22 LEU 6 -5.941 2.741 7.268 40 H LYS 7 HN LYS 7 -6.850 8.088 5.628 41 HA LYS 7 HA LYS 7 -6.523 8.731 2.923 42 1HB LYS 7 HB2 LYS 7 -5.102 9.285 5.411 43 2HB LYS 7 HB1 LYS 7 -4.028 9.249 4.012 44 1HG LYS 7 HG2 LYS 7 -5.456 10.846 2.828 45 2HG LYS 7 HG1 LYS 7 -6.601 10.846 4.167 46 1HD LYS 7 HD2 LYS 7 -5.362 12.737 4.688 47 2HD LYS 7 HD1 LYS 7 -4.454 11.516 5.578 48 1HE LYS 7 HE2 LYS 7 -2.711 12.492 4.427 49 2HE LYS 7 HE1 LYS 7 -3.192 11.292 3.228 50 1HZ LYS 7 HZ1 LYS 7 -4.775 13.626 2.985 51 2HZ LYS 7 HZ3 LYS 7 -3.130 14.037 2.919 52 3HZ LYS 7 HZ2 LYS 7 -3.764 12.895 1.832 53 H PHE 8 HN PHE 8 -6.075 7.232 1.383 54 HA PHE 8 HA PHE 8 -3.921 5.247 1.874 55 1HB PHE 8 HB2 PHE 8 -6.064 5.477 -0.251 56 2HB PHE 8 HB1 PHE 8 -4.739 4.340 -0.366 57 HD1 PHE 8 HD1 PHE 8 -4.513 2.501 1.272 58 HD2 PHE 8 HD2 PHE 8 -7.891 5.135 1.274 59 HE1 PHE 8 HE1 PHE 8 -5.757 0.895 2.700 60 HE2 PHE 8 HE2 PHE 8 -9.134 3.538 2.695 61 HZ PHE 8 HZ PHE 8 -8.072 1.416 3.411 62 H LEU 9 HN LEU 9 -2.211 5.073 0.311 63 HA LEU 9 HA LEU 9 -2.058 7.281 -1.677 64 1HB LEU 9 HB2 LEU 9 -0.678 8.294 -0.131 65 2HB LEU 9 HB1 LEU 9 -0.178 6.775 0.590 66 HG LEU 9 HG LEU 9 1.413 6.348 -1.119 67 1HD1 LEU 9 HD11 LEU 9 -0.308 8.029 -2.780 68 2HD1 LEU 9 HD13 LEU 9 1.386 8.433 -2.946 69 3HD1 LEU 9 HD12 LEU 9 0.829 6.795 -3.254 70 1HD2 LEU 9 HD22 LEU 9 1.513 8.666 0.381 71 2HD2 LEU 9 HD21 LEU 9 2.860 7.955 -0.500 72 3HD2 LEU 9 HD23 LEU 9 1.895 9.227 -1.239 73 H VAL 10 HN VAL 10 -1.800 6.288 -3.594 74 HA VAL 10 HA VAL 10 -0.527 3.595 -3.653 75 HB VAL 10 HB VAL 10 -1.659 3.666 -6.013 76 1HG1 VAL 10 HG13 VAL 10 -2.812 3.237 -3.298 77 2HG1 VAL 10 HG12 VAL 10 -3.951 3.286 -4.643 78 3HG1 VAL 10 HG11 VAL 10 -2.644 2.101 -4.637 79 1HG2 VAL 10 HG22 VAL 10 -2.154 6.130 -5.797 80 2HG2 VAL 10 HG21 VAL 10 -3.572 5.145 -6.152 81 3HG2 VAL 10 HG23 VAL 10 -3.291 5.728 -4.514 82 H VAL 11 HN VAL 11 1.530 3.526 -4.386 83 HA VAL 11 HA VAL 11 2.495 5.664 -6.176 84 HB VAL 11 HB VAL 11 4.060 3.624 -4.579 85 1HG1 VAL 11 HG13 VAL 11 4.770 5.568 -6.660 86 2HG1 VAL 11 HG12 VAL 11 5.698 5.776 -5.176 87 3HG1 VAL 11 HG11 VAL 11 5.709 4.224 -6.011 88 1HG2 VAL 11 HG22 VAL 11 2.951 6.289 -3.964 89 2HG2 VAL 11 HG21 VAL 11 3.441 5.001 -2.868 90 3HG2 VAL 11 HG23 VAL 11 4.648 6.088 -3.551 91 H ASP 12 HN ASP 12 2.348 5.091 -8.308 92 HA ASP 12 HA ASP 12 3.567 2.572 -9.181 93 1HB ASP 12 HB2 ASP 12 0.945 2.352 -8.572 94 2HB ASP 12 HB1 ASP 12 0.809 2.926 -10.236 95 H ASP 13 HN ASP 13 4.336 2.768 -11.281 96 HA ASP 13 HA ASP 13 4.189 5.430 -12.487 97 1HB ASP 13 HB2 ASP 13 5.371 3.353 -14.164 98 2HB ASP 13 HB1 ASP 13 6.111 4.812 -13.504 99 H PHE 14 HN PHE 14 2.347 2.580 -12.683 100 HA PHE 14 HA PHE 14 1.601 2.595 -15.446 101 1HB PHE 14 HB2 PHE 14 0.747 1.275 -13.011 102 2HB PHE 14 HB1 PHE 14 -0.650 1.761 -13.973 103 HD1 PHE 14 HD2 PHE 14 -0.574 1.216 -16.515 104 HD2 PHE 14 HD1 PHE 14 1.958 -0.651 -13.592 105 HE1 PHE 14 HE2 PHE 14 -0.155 -0.663 -18.079 106 HE2 PHE 14 HE1 PHE 14 2.377 -2.531 -15.155 107 HZ PHE 14 HZ PHE 14 1.321 -2.536 -17.399 108 H SER 15 HN SER 15 -0.023 3.726 -16.527 109 HA SER 15 HA SER 15 -1.037 6.133 -15.133 110 1HB SER 15 HB2 SER 15 0.020 6.249 -17.431 111 2HB SER 15 HB1 SER 15 -1.373 5.362 -18.044 112 HG SER 15 HG SER 15 -2.662 7.049 -17.585 113 H THR 16 HN THR 16 -2.193 3.681 -14.281 114 HA THR 16 HA THR 16 -4.990 4.290 -14.604 115 HB THR 16 HB THR 16 -4.985 3.271 -16.721 116 HG1 THR 16 HG1 THR 16 -5.337 0.883 -15.367 117 1HG2 THR 16 HG23 THR 16 -3.023 1.299 -15.529 118 2HG2 THR 16 HG22 THR 16 -3.752 1.100 -17.123 119 3HG2 THR 16 HG21 THR 16 -2.712 2.485 -16.796 120 H MET 17 HN MET 17 -2.587 1.795 -13.809 121 HA MET 17 HA MET 17 -4.050 0.126 -12.136 122 1HB MET 17 HB2 MET 17 -1.697 -0.290 -12.575 123 2HB MET 17 HB1 MET 17 -1.240 1.186 -11.723 124 1HG MET 17 HG2 MET 17 -1.755 0.296 -9.626 125 2HG MET 17 HG1 MET 17 -2.859 -0.905 -10.296 126 1HE MET 17 HE3 MET 17 -2.350 -3.206 -10.300 127 2HE MET 17 HE2 MET 17 -2.004 -2.813 -11.982 128 3HE MET 17 HE1 MET 17 -0.930 -3.895 -11.099 129 NH1 ARG 18 NH1 ARG 18 -0.554 8.990 -11.216 130 NH2 ARG 18 NH2 ARG 18 -1.106 8.193 -13.259 131 H ARG 18 HN ARG 18 -3.487 3.479 -11.700 132 HA ARG 18 HA ARG 18 -3.866 3.398 -8.782 133 1HB ARG 18 HB2 ARG 18 -4.091 5.932 -10.359 134 2HB ARG 18 HB1 ARG 18 -3.338 5.653 -8.788 135 1HG ARG 18 HG2 ARG 18 -1.585 4.268 -10.019 136 2HG ARG 18 HG1 ARG 18 -2.256 4.916 -11.516 137 1HD ARG 18 HD2 ARG 18 -1.954 7.177 -9.947 138 2HD ARG 18 HD1 ARG 18 -0.536 6.216 -9.529 139 HE ARG 18 HE ARG 18 -0.161 6.093 -12.079 140 1HH1 ARG 18 HH11 ARG 18 -0.301 8.829 -10.263 141 2HH1 ARG 18 HH12 ARG 18 -0.639 9.926 -11.559 142 1HH2 ARG 18 HH21 ARG 18 -1.274 7.419 -13.869 143 2HH2 ARG 18 HH22 ARG 18 -1.191 9.128 -13.601 144 NH1 ARG 19 NH1 ARG 19 -12.793 4.323 -12.375 145 NH2 ARG 19 NH2 ARG 19 -12.775 3.214 -14.345 146 H ARG 19 HN ARG 19 -5.717 4.453 -11.649 147 HA ARG 19 HA ARG 19 -8.021 5.317 -10.170 148 1HB ARG 19 HB2 ARG 19 -7.409 5.743 -12.661 149 2HB ARG 19 HB1 ARG 19 -8.167 4.178 -12.959 150 1HG ARG 19 HG2 ARG 19 -10.070 5.287 -11.404 151 2HG ARG 19 HG1 ARG 19 -9.404 6.752 -12.125 152 1HD ARG 19 HD2 ARG 19 -11.070 6.111 -13.659 153 2HD ARG 19 HD1 ARG 19 -9.594 5.466 -14.376 154 HE ARG 19 HE ARG 19 -10.252 3.239 -13.508 155 1HH1 ARG 19 HH11 ARG 19 -12.305 4.813 -11.653 156 2HH1 ARG 19 HH12 ARG 19 -13.783 4.196 -12.313 157 1HH2 ARG 19 HH21 ARG 19 -12.273 2.853 -15.131 158 2HH2 ARG 19 HH22 ARG 19 -13.764 3.087 -14.282 159 H ILE 20 HN ILE 20 -6.756 2.215 -10.772 160 HA ILE 20 HA ILE 20 -9.310 0.794 -10.728 161 HB ILE 20 HB ILE 20 -6.423 0.076 -10.846 162 1HG1 ILE 20 HG12 ILE 20 -7.230 -1.401 -12.608 163 2HG1 ILE 20 HG11 ILE 20 -8.903 -1.117 -12.122 164 1HG2 ILE 20 HG23 ILE 20 -8.533 -1.708 -9.604 165 2HG2 ILE 20 HG22 ILE 20 -7.090 -2.354 -10.379 166 3HG2 ILE 20 HG21 ILE 20 -6.933 -1.311 -8.970 167 1HD1 ILE 20 HD11 ILE 20 -7.241 1.275 -12.759 168 2HD1 ILE 20 HD13 ILE 20 -7.756 0.266 -14.109 169 3HD1 ILE 20 HD12 ILE 20 -8.958 0.993 -13.041 170 H VAL 21 HN VAL 21 -6.621 1.247 -8.413 171 HA VAL 21 HA VAL 21 -8.006 -0.099 -6.272 172 HB VAL 21 HB VAL 21 -6.142 1.723 -5.159 173 1HG1 VAL 21 HG13 VAL 21 -6.579 -0.602 -4.447 174 2HG1 VAL 21 HG12 VAL 21 -5.873 -1.195 -5.950 175 3HG1 VAL 21 HG11 VAL 21 -4.863 -0.356 -4.773 176 1HG2 VAL 21 HG23 VAL 21 -5.364 2.134 -7.478 177 2HG2 VAL 21 HG22 VAL 21 -4.149 1.266 -6.540 178 3HG2 VAL 21 HG21 VAL 21 -5.147 0.399 -7.706 179 NH1 ARG 22 NH1 ARG 22 -5.533 8.532 -8.940 180 NH2 ARG 22 NH2 ARG 22 -6.725 10.384 -8.429 181 H ARG 22 HN ARG 22 -7.774 3.286 -7.292 182 HA ARG 22 HA ARG 22 -8.867 4.594 -5.060 183 1HB ARG 22 HB2 ARG 22 -8.694 5.088 -7.940 184 2HB ARG 22 HB1 ARG 22 -10.136 5.801 -7.219 185 1HG ARG 22 HG2 ARG 22 -8.738 6.905 -5.508 186 2HG ARG 22 HG1 ARG 22 -7.294 6.199 -6.234 187 1HD ARG 22 HD2 ARG 22 -8.222 7.332 -8.434 188 2HD ARG 22 HD1 ARG 22 -9.080 8.365 -7.291 189 HE ARG 22 HE ARG 22 -6.577 8.539 -6.304 190 1HH1 ARG 22 HH11 ARG 22 -5.292 7.579 -8.757 191 2HH1 ARG 22 HH12 ARG 22 -5.101 9.020 -9.698 192 1HH2 ARG 22 HH21 ARG 22 -7.398 10.849 -7.854 193 2HH2 ARG 22 HH22 ARG 22 -6.293 10.871 -9.189 194 H ASN 23 HN ASN 23 -10.650 3.179 -7.808 195 HA ASN 23 HA ASN 23 -13.262 3.572 -6.721 196 1HB ASN 23 HB2 ASN 23 -12.088 2.682 -9.073 197 2HB ASN 23 HB1 ASN 23 -12.896 1.268 -8.451 198 1HD2 ASN 23 HD22 ASN 23 -15.106 4.145 -10.154 199 2HD2 ASN 23 HD21 ASN 23 -13.415 4.076 -10.268 200 H LEU 24 HN LEU 24 -11.300 0.654 -7.105 201 HA LEU 24 HA LEU 24 -12.795 -1.255 -5.829 202 1HB LEU 24 HB2 LEU 24 -10.393 -1.342 -6.821 203 2HB LEU 24 HB1 LEU 24 -9.874 -0.937 -5.196 204 HG LEU 24 HG LEU 24 -11.766 -3.099 -5.008 205 1HD1 LEU 24 HD12 LEU 24 -9.555 -3.516 -7.042 206 2HD1 LEU 24 HD11 LEU 24 -10.503 -4.816 -6.318 207 3HD1 LEU 24 HD13 LEU 24 -11.291 -3.613 -7.339 208 1HD2 LEU 24 HD22 LEU 24 -8.836 -2.714 -4.431 209 2HD2 LEU 24 HD21 LEU 24 -10.157 -3.087 -3.326 210 3HD2 LEU 24 HD23 LEU 24 -9.518 -4.332 -4.391 211 H LEU 25 HN LEU 25 -10.617 1.047 -4.123 212 HA LEU 25 HA LEU 25 -11.353 0.112 -1.497 213 1HB LEU 25 HB2 LEU 25 -10.156 2.693 -2.524 214 2HB LEU 25 HB1 LEU 25 -10.576 2.498 -0.828 215 HG LEU 25 HG LEU 25 -8.937 0.369 -2.152 216 1HD1 LEU 25 HD12 LEU 25 -8.077 3.162 -1.485 217 2HD1 LEU 25 HD11 LEU 25 -6.957 1.836 -1.178 218 3HD1 LEU 25 HD13 LEU 25 -7.559 2.120 -2.811 219 1HD2 LEU 25 HD22 LEU 25 -9.000 1.590 0.630 220 2HD2 LEU 25 HD21 LEU 25 -9.738 0.060 0.162 221 3HD2 LEU 25 HD23 LEU 25 -7.985 0.238 0.138 222 H LYS 26 HN LYS 26 -12.446 2.917 -3.417 223 HA LYS 26 HA LYS 26 -14.338 3.967 -1.690 224 1HB LYS 26 HB2 LYS 26 -13.827 4.068 -4.516 225 2HB LYS 26 HB1 LYS 26 -15.564 3.926 -4.255 226 1HG LYS 26 HG2 LYS 26 -15.490 5.836 -2.695 227 2HG LYS 26 HG1 LYS 26 -13.750 5.966 -2.937 228 1HD LYS 26 HD2 LYS 26 -14.911 7.599 -4.351 229 2HD LYS 26 HD1 LYS 26 -14.124 6.380 -5.353 230 1HE LYS 26 HE2 LYS 26 -16.931 5.820 -4.527 231 2HE LYS 26 HE1 LYS 26 -16.693 7.100 -5.714 232 1HZ LYS 26 HZ1 LYS 26 -15.122 4.750 -6.230 233 2HZ LYS 26 HZ3 LYS 26 -16.791 4.452 -6.260 234 3HZ LYS 26 HZ2 LYS 26 -16.123 5.640 -7.275 235 H GLU 27 HN GLU 27 -14.560 1.007 -3.622 236 HA GLU 27 HA GLU 27 -17.289 0.486 -3.510 237 1HB GLU 27 HB2 GLU 27 -15.631 -1.031 -4.581 238 2HB GLU 27 HB1 GLU 27 -15.101 -1.542 -2.979 239 1HG GLU 27 HG2 GLU 27 -16.906 -2.880 -2.668 240 2HG GLU 27 HG1 GLU 27 -18.015 -1.714 -3.387 241 H LEU 28 HN LEU 28 -14.885 0.112 -0.936 242 HA LEU 28 HA LEU 28 -16.820 -1.001 0.933 243 1HB LEU 28 HB2 LEU 28 -14.066 -0.894 0.855 244 2HB LEU 28 HB1 LEU 28 -14.447 0.307 2.087 245 HG LEU 28 HG LEU 28 -15.527 -2.531 2.078 246 1HD1 LEU 28 HD13 LEU 28 -13.019 -2.276 2.436 247 2HD1 LEU 28 HD12 LEU 28 -13.408 -1.355 3.888 248 3HD1 LEU 28 HD11 LEU 28 -13.902 -3.043 3.755 249 1HD2 LEU 28 HD21 LEU 28 -16.907 -0.764 3.236 250 2HD2 LEU 28 HD23 LEU 28 -16.284 -2.002 4.326 251 3HD2 LEU 28 HD22 LEU 28 -15.513 -0.417 4.258 252 H GLY 29 HN GLY 29 -14.971 2.046 1.181 253 1HA GLY 29 HA2 GLY 29 -17.140 3.803 1.338 254 2HA GLY 29 HA1 GLY 29 -16.849 3.217 2.966 255 H PHE 30 HN PHE 30 -14.073 3.486 0.882 256 HA PHE 30 HA PHE 30 -13.099 5.720 2.590 257 1HB PHE 30 HB2 PHE 30 -11.532 4.167 0.519 258 2HB PHE 30 HB1 PHE 30 -10.899 5.123 1.847 259 HD1 PHE 30 HD1 PHE 30 -11.263 4.309 4.240 260 HD2 PHE 30 HD2 PHE 30 -12.153 1.914 0.797 261 HE1 PHE 30 HE1 PHE 30 -11.240 2.266 5.653 262 HE2 PHE 30 HE2 PHE 30 -12.145 -0.122 2.207 263 HZ PHE 30 HZ PHE 30 -11.689 0.055 4.637 264 H ASN 31 HN ASN 31 -12.620 7.764 1.702 265 HA ASN 31 HA ASN 31 -12.703 8.072 -1.234 266 1HB ASN 31 HB2 ASN 31 -14.149 10.207 -0.617 267 2HB ASN 31 HB1 ASN 31 -14.906 8.650 -0.911 268 1HD2 ASN 31 HD22 ASN 31 -15.360 8.093 2.702 269 2HD2 ASN 31 HD21 ASN 31 -14.752 7.241 1.367 270 H ASN 32 HN ASN 32 -10.322 8.283 -0.382 271 HA ASN 32 HA ASN 32 -9.537 11.038 -0.581 272 1HB ASN 32 HB2 ASN 32 -10.404 10.720 1.893 273 2HB ASN 32 HB1 ASN 32 -8.844 9.934 2.130 274 1HD2 ASN 32 HD21 ASN 32 -10.066 12.753 2.880 275 2HD2 ASN 32 HD22 ASN 32 -8.816 13.818 2.451 276 H VAL 33 HN VAL 33 -8.131 10.093 -2.160 277 HA VAL 33 HA VAL 33 -5.786 8.631 -1.011 278 HB VAL 33 HB VAL 33 -7.149 7.926 -3.624 279 1HG1 VAL 33 HG11 VAL 33 -4.610 7.260 -2.495 280 2HG1 VAL 33 HG13 VAL 33 -5.603 5.806 -2.527 281 3HG1 VAL 33 HG12 VAL 33 -5.317 6.713 -4.009 282 1HG2 VAL 33 HG23 VAL 33 -7.656 7.016 -0.847 283 2HG2 VAL 33 HG22 VAL 33 -8.731 7.035 -2.240 284 3HG2 VAL 33 HG21 VAL 33 -7.538 5.749 -2.062 285 H GLU 34 HN GLU 34 -3.808 8.865 -2.254 286 HA GLU 34 HA GLU 34 -3.919 10.987 -4.360 287 1HB GLU 34 HB2 GLU 34 -2.045 12.101 -3.504 288 2HB GLU 34 HB1 GLU 34 -2.956 11.717 -2.053 289 1HG GLU 34 HG2 GLU 34 -1.532 9.692 -1.762 290 2HG GLU 34 HG1 GLU 34 -0.571 10.210 -3.146 291 H GLU 35 HN GLU 35 -1.338 10.857 -5.254 292 HA GLU 35 HA GLU 35 -0.743 7.999 -5.734 293 1HB GLU 35 HB2 GLU 35 -0.957 9.902 -8.066 294 2HB GLU 35 HB1 GLU 35 -0.853 8.145 -8.098 295 1HG GLU 35 HG2 GLU 35 -3.136 8.630 -8.537 296 2HG GLU 35 HG1 GLU 35 -3.095 8.142 -6.847 297 H ALA 36 HN ALA 36 1.370 7.705 -6.795 298 HA ALA 36 HA ALA 36 3.160 10.080 -6.701 299 1HB ALA 36 HB3 ALA 36 3.130 8.536 -4.534 300 2HB ALA 36 HB2 ALA 36 4.177 7.523 -5.528 301 3HB ALA 36 HB1 ALA 36 4.641 9.184 -5.165 302 H GLU 37 HN GLU 37 5.538 8.887 -7.341 303 HA GLU 37 HA GLU 37 4.954 7.201 -9.743 304 1HB GLU 37 HB2 GLU 37 6.815 9.591 -9.670 305 2HB GLU 37 HB1 GLU 37 6.524 8.545 -11.060 306 1HG GLU 37 HG2 GLU 37 4.054 9.168 -10.833 307 2HG GLU 37 HG1 GLU 37 4.577 10.428 -9.715 308 H ASP 38 HN ASP 38 6.626 7.388 -6.885 309 HA ASP 38 HA ASP 38 8.229 5.113 -7.379 310 1HB ASP 38 HB2 ASP 38 9.378 7.576 -8.398 311 2HB ASP 38 HB1 ASP 38 10.387 6.908 -7.117 312 H GLY 39 HN GLY 39 10.263 5.270 -5.662 313 1HA GLY 39 HA2 GLY 39 9.008 5.484 -3.096 314 2HA GLY 39 HA1 GLY 39 10.742 5.306 -3.364 315 H VAL 40 HN VAL 40 11.522 7.536 -4.625 316 HA VAL 40 HA VAL 40 11.563 9.536 -2.615 317 HB VAL 40 HB VAL 40 12.497 11.014 -4.350 318 1HG1 VAL 40 HG13 VAL 40 13.853 9.123 -3.356 319 2HG1 VAL 40 HG12 VAL 40 13.460 8.175 -4.789 320 3HG1 VAL 40 HG11 VAL 40 14.402 9.658 -4.944 321 1HG2 VAL 40 HG21 VAL 40 11.395 8.873 -6.180 322 2HG2 VAL 40 HG23 VAL 40 11.085 10.608 -6.227 323 3HG2 VAL 40 HG22 VAL 40 12.664 9.982 -6.699 324 H ASP 41 HN ASP 41 9.430 9.064 -5.394 325 HA ASP 41 HA ASP 41 8.046 11.565 -5.219 326 1HB ASP 41 HB2 ASP 41 7.962 9.765 -7.071 327 2HB ASP 41 HB1 ASP 41 6.784 8.957 -6.047 328 H ALA 42 HN ALA 42 7.438 8.367 -3.799 329 HA ALA 42 HA ALA 42 5.030 8.974 -2.448 330 1HB ALA 42 HB2 ALA 42 6.654 6.775 -2.594 331 2HB ALA 42 HB1 ALA 42 6.937 7.296 -0.935 332 3HB ALA 42 HB3 ALA 42 5.299 6.930 -1.475 333 H LEU 43 HN LEU 43 8.233 8.829 -0.857 334 HA LEU 43 HA LEU 43 7.643 10.094 1.518 335 1HB LEU 43 HB2 LEU 43 9.957 9.328 0.291 336 2HB LEU 43 HB1 LEU 43 10.131 11.078 0.233 337 HG LEU 43 HG LEU 43 11.152 10.230 2.276 338 1HD1 LEU 43 HD13 LEU 43 9.712 12.384 2.225 339 2HD1 LEU 43 HD12 LEU 43 8.547 11.453 3.166 340 3HD1 LEU 43 HD11 LEU 43 10.170 11.726 3.794 341 1HD2 LEU 43 HD23 LEU 43 9.066 8.367 2.226 342 2HD2 LEU 43 HD22 LEU 43 10.273 8.550 3.499 343 3HD2 LEU 43 HD21 LEU 43 8.719 9.374 3.631 344 H ASN 44 HN ASN 44 7.864 11.626 -1.641 345 HA ASN 44 HA ASN 44 7.918 14.327 -0.541 346 1HB ASN 44 HB2 ASN 44 7.569 13.197 -3.309 347 2HB ASN 44 HB1 ASN 44 7.345 14.916 -2.989 348 1HD2 ASN 44 HD22 ASN 44 11.030 13.738 -3.623 349 2HD2 ASN 44 HD21 ASN 44 9.620 13.032 -4.252 350 H LYS 45 HN LYS 45 5.416 12.405 -2.228 351 HA LYS 45 HA LYS 45 3.395 14.439 -1.525 352 1HB LYS 45 HB2 LYS 45 3.663 12.412 -3.539 353 2HB LYS 45 HB1 LYS 45 2.175 12.121 -2.637 354 1HG LYS 45 HG2 LYS 45 1.550 14.515 -2.962 355 2HG LYS 45 HG1 LYS 45 2.992 14.727 -3.957 356 1HD LYS 45 HD2 LYS 45 2.185 13.260 -5.636 357 2HD LYS 45 HD1 LYS 45 0.944 12.595 -4.574 358 1HE LYS 45 HE2 LYS 45 0.877 15.533 -5.111 359 2HE LYS 45 HE1 LYS 45 0.360 14.450 -6.404 360 1HZ LYS 45 HZ2 LYS 45 -0.669 13.847 -3.759 361 2HZ LYS 45 HZ1 LYS 45 -1.245 15.283 -4.459 362 3HZ LYS 45 HZ3 LYS 45 -1.451 13.806 -5.266 363 H LEU 46 HN LEU 46 4.730 11.818 0.051 364 HA LEU 46 HA LEU 46 2.209 10.926 1.281 365 1HB LEU 46 HB2 LEU 46 4.223 9.433 0.656 366 2HB LEU 46 HB1 LEU 46 4.988 10.065 2.105 367 HG LEU 46 HG LEU 46 2.210 9.055 2.481 368 1HD1 LEU 46 HD11 LEU 46 4.252 7.348 1.262 369 2HD1 LEU 46 HD13 LEU 46 3.767 6.774 2.848 370 3HD1 LEU 46 HD12 LEU 46 2.558 7.002 1.595 371 1HD2 LEU 46 HD21 LEU 46 3.782 9.957 4.241 372 2HD2 LEU 46 HD23 LEU 46 3.064 8.384 4.580 373 3HD2 LEU 46 HD22 LEU 46 4.731 8.488 4.013 374 H GLN 47 HN GLN 47 5.176 12.662 2.210 375 HA GLN 47 HA GLN 47 4.510 12.965 4.976 376 1HB GLN 47 HB2 GLN 47 6.764 13.455 4.046 377 2HB GLN 47 HB1 GLN 47 6.096 14.851 3.200 378 1HG GLN 47 HG2 GLN 47 6.096 16.121 5.074 379 2HG GLN 47 HG1 GLN 47 5.425 14.820 6.057 380 1HE2 GLN 47 HE22 GLN 47 9.301 15.642 6.435 381 2HE2 GLN 47 HE21 GLN 47 8.161 16.700 5.756 382 H ALA 48 HN ALA 48 2.781 13.942 2.370 383 HA ALA 48 HA ALA 48 2.039 16.580 2.630 384 1HB ALA 48 HB1 ALA 48 0.968 14.352 1.376 385 2HB ALA 48 HB3 ALA 48 -0.319 14.855 2.472 386 3HB ALA 48 HB2 ALA 48 0.322 15.990 1.284 387 H GLY 49 HN GLY 49 0.371 13.931 4.421 388 1HA GLY 49 HA2 GLY 49 0.219 15.735 6.769 389 2HA GLY 49 HA1 GLY 49 -1.317 15.226 6.069 390 H GLY 50 HN GLY 50 1.081 12.847 5.700 391 1HA GLY 50 HA2 GLY 50 1.654 10.982 7.102 392 2HA GLY 50 HA1 GLY 50 0.492 11.559 8.301 393 OH TYR 51 OH TYR 51 -2.260 12.101 0.139 394 H TYR 51 HN TYR 51 0.925 9.573 5.493 395 HA TYR 51 HA TYR 51 -1.922 9.224 5.025 396 1HB TYR 51 HB2 TYR 51 0.594 8.112 3.868 397 2HB TYR 51 HB1 TYR 51 -0.912 7.222 3.610 398 HD1 TYR 51 HD2 TYR 51 0.649 10.595 3.310 399 HD2 TYR 51 HD1 TYR 51 -2.553 8.004 2.107 400 HE1 TYR 51 HE2 TYR 51 -0.140 12.314 1.705 401 HE2 TYR 51 HE1 TYR 51 -3.352 9.725 0.510 402 HH TYR 51 HH TYR 51 -2.560 12.851 0.658 403 H GLY 52 HN GLY 52 -3.234 7.928 6.111 404 1HA GLY 52 HA2 GLY 52 -2.276 6.277 8.254 405 2HA GLY 52 HA1 GLY 52 -3.930 6.370 7.723 406 H PHE 53 HN PHE 53 -2.302 5.707 4.963 407 HA PHE 53 HA PHE 53 -1.748 2.872 5.344 408 1HB PHE 53 HB2 PHE 53 -4.328 3.251 5.431 409 2HB PHE 53 HB1 PHE 53 -4.189 3.470 3.693 410 HD1 PHE 53 HD1 PHE 53 -2.777 1.600 2.468 411 HD2 PHE 53 HD2 PHE 53 -4.672 1.103 6.279 412 HE1 PHE 53 HE1 PHE 53 -2.837 -0.818 2.119 413 HE2 PHE 53 HE2 PHE 53 -4.734 -1.323 5.934 414 HZ PHE 53 HZ PHE 53 -3.806 -2.315 3.852 415 H VAL 54 HN VAL 54 -0.636 2.054 3.515 416 HA VAL 54 HA VAL 54 -0.586 3.826 1.099 417 HB VAL 54 HB VAL 54 1.843 2.631 2.441 418 1HG1 VAL 54 HG11 VAL 54 1.410 4.286 -0.038 419 2HG1 VAL 54 HG13 VAL 54 2.960 4.278 0.793 420 3HG1 VAL 54 HG12 VAL 54 2.310 2.782 0.123 421 1HG2 VAL 54 HG23 VAL 54 0.831 4.505 3.713 422 2HG2 VAL 54 HG22 VAL 54 2.388 4.946 3.022 423 3HG2 VAL 54 HG21 VAL 54 0.900 5.504 2.262 424 H ILE 55 HN ILE 55 0.177 2.787 -0.839 425 HA ILE 55 HA ILE 55 0.270 -0.185 -0.819 426 HB ILE 55 HB ILE 55 -1.493 1.341 -2.750 427 1HG1 ILE 55 HG12 ILE 55 -2.256 -0.034 -0.153 428 2HG1 ILE 55 HG11 ILE 55 -2.388 1.691 -0.498 429 1HG2 ILE 55 HG21 ILE 55 -0.496 -1.246 -2.770 430 2HG2 ILE 55 HG23 ILE 55 -2.104 -1.443 -2.073 431 3HG2 ILE 55 HG22 ILE 55 -1.916 -0.690 -3.656 432 1HD1 ILE 55 HD11 ILE 55 -3.911 1.084 -2.431 433 2HD1 ILE 55 HD13 ILE 55 -3.924 -0.565 -1.807 434 3HD1 ILE 55 HD12 ILE 55 -4.573 0.752 -0.831 435 H SER 56 HN SER 56 1.959 -0.807 -2.153 436 HA SER 56 HA SER 56 2.602 0.868 -4.515 437 1HB SER 56 HB2 SER 56 4.819 1.331 -3.905 438 2HB SER 56 HB1 SER 56 3.942 1.584 -2.398 439 HG SER 56 HG SER 56 5.915 -0.108 -2.885 440 H ASP 57 HN ASP 57 4.019 -0.247 -6.037 441 HA ASP 57 HA ASP 57 3.440 -3.050 -6.266 442 1HB ASP 57 HB2 ASP 57 4.080 -1.312 -8.104 443 2HB ASP 57 HB1 ASP 57 5.742 -1.714 -7.675 444 CH2 TRP 58 CH2 TRP 58 10.148 -5.998 -0.316 445 H TRP 58 HN TRP 58 6.401 -3.481 -7.157 446 HA TRP 58 HA TRP 58 7.987 -3.486 -4.751 447 1HB TRP 58 HB2 TRP 58 6.342 -5.190 -4.060 448 2HB TRP 58 HB1 TRP 58 6.660 -6.103 -5.531 449 HD1 TRP 58 HD1 TRP 58 8.878 -7.489 -5.677 450 HE1 TRP 58 HE1 TRP 58 10.616 -8.200 -3.909 451 HE3 TRP 58 HE3 TRP 58 7.557 -4.385 -1.843 452 HZ2 TRP 58 HZ2 TRP 58 11.346 -7.541 -1.221 453 HZ3 TRP 58 HZ3 TRP 58 8.790 -4.445 0.305 454 HH2 TRP 58 HH2 TRP 58 10.679 -6.024 0.626 455 H ASN 59 HN ASN 59 9.907 -3.152 -5.808 456 HA ASN 59 HA ASN 59 11.750 -3.602 -7.197 457 1HB ASN 59 HB2 ASN 59 10.973 -6.040 -6.418 458 2HB ASN 59 HB1 ASN 59 10.555 -6.179 -8.125 459 1HD2 ASN 59 HD22 ASN 59 14.108 -7.247 -7.780 460 2HD2 ASN 59 HD21 ASN 59 12.613 -7.808 -7.205 461 H MET 60 HN MET 60 9.189 -2.383 -8.165 462 HA MET 60 HA MET 60 9.240 -3.166 -11.031 463 1HB MET 60 HB2 MET 60 7.143 -2.582 -9.314 464 2HB MET 60 HB1 MET 60 7.297 -1.125 -10.297 465 1HG MET 60 HG2 MET 60 5.813 -2.607 -11.474 466 2HG MET 60 HG1 MET 60 7.352 -2.628 -12.335 467 1HE MET 60 HE1 MET 60 6.793 -4.738 -13.563 468 2HE MET 60 HE3 MET 60 6.244 -6.255 -12.837 469 3HE MET 60 HE2 MET 60 5.208 -4.830 -12.799 470 HA PRO 61 HA PRO 61 9.929 1.617 -11.085 471 1HB PRO 61 HB2 PRO 61 11.355 2.349 -8.691 472 2HB PRO 61 HB1 PRO 61 9.776 2.923 -9.242 473 1HG PRO 61 HG2 PRO 61 10.287 1.190 -7.034 474 2HG PRO 61 HG1 PRO 61 8.708 1.637 -7.694 475 1HD PRO 61 HD2 PRO 61 10.152 -0.882 -7.938 476 2HD PRO 61 HD1 PRO 61 8.466 -0.531 -8.372 477 H ASN 62 HN ASN 62 12.544 0.763 -8.803 478 HA ASN 62 HA ASN 62 14.335 0.084 -11.046 479 1HB ASN 62 HB2 ASN 62 15.798 1.960 -9.490 480 2HB ASN 62 HB1 ASN 62 15.313 2.107 -11.179 481 1HD2 ASN 62 HD22 ASN 62 13.109 4.003 -8.283 482 2HD2 ASN 62 HD21 ASN 62 14.202 2.781 -7.841 483 H MET 63 HN MET 63 14.954 1.225 -7.719 484 HA MET 63 HA MET 63 16.670 -1.059 -7.191 485 1HB MET 63 HB2 MET 63 15.514 1.016 -5.301 486 2HB MET 63 HB1 MET 63 16.801 -0.122 -4.902 487 1HG MET 63 HG2 MET 63 17.686 1.049 -7.262 488 2HG MET 63 HG1 MET 63 16.940 2.390 -6.394 489 1HE MET 63 HE2 MET 63 16.958 2.489 -4.050 490 2HE MET 63 HE1 MET 63 18.073 1.713 -2.928 491 3HE MET 63 HE3 MET 63 18.473 3.285 -3.635 492 H ASP 64 HN ASP 64 14.198 -0.128 -4.868 493 HA ASP 64 HA ASP 64 12.421 -2.341 -5.341 494 1HB ASP 64 HB2 ASP 64 14.422 -3.598 -4.516 495 2HB ASP 64 HB1 ASP 64 14.346 -2.671 -3.019 496 H GLY 65 HN GLY 65 10.539 -2.030 -4.113 497 1HA GLY 65 HA2 GLY 65 10.331 0.468 -2.677 498 2HA GLY 65 HA1 GLY 65 9.057 -0.739 -2.786 499 H LEU 66 HN LEU 66 12.092 -1.938 -1.700 500 HA LEU 66 HA LEU 66 10.952 -2.464 0.948 501 1HB LEU 66 HB2 LEU 66 12.293 -4.233 -0.008 502 2HB LEU 66 HB1 LEU 66 13.629 -3.126 -0.319 503 HG LEU 66 HG LEU 66 14.077 -2.876 2.034 504 1HD1 LEU 66 HD13 LEU 66 11.427 -4.285 2.344 505 2HD1 LEU 66 HD12 LEU 66 12.610 -4.273 3.651 506 3HD1 LEU 66 HD11 LEU 66 11.947 -2.754 3.050 507 1HD2 LEU 66 HD21 LEU 66 14.315 -5.283 0.683 508 2HD2 LEU 66 HD23 LEU 66 15.088 -4.893 2.221 509 3HD2 LEU 66 HD22 LEU 66 13.549 -5.754 2.200 510 H GLU 67 HN GLU 67 13.912 -0.828 -0.253 511 HA GLU 67 HA GLU 67 14.554 0.426 2.234 512 1HB GLU 67 HB2 GLU 67 15.722 0.324 -0.267 513 2HB GLU 67 HB1 GLU 67 15.186 2.001 -0.176 514 1HG GLU 67 HG2 GLU 67 17.357 2.018 0.783 515 2HG GLU 67 HG1 GLU 67 16.261 2.035 2.164 516 H LEU 68 HN LEU 68 12.158 1.033 -0.167 517 HA LEU 68 HA LEU 68 11.608 3.803 0.355 518 1HB LEU 68 HB2 LEU 68 10.683 2.749 -1.617 519 2HB LEU 68 HB1 LEU 68 9.905 1.505 -0.649 520 HG LEU 68 HG LEU 68 8.383 3.136 0.325 521 1HD1 LEU 68 HD13 LEU 68 10.192 5.056 -1.113 522 2HD1 LEU 68 HD12 LEU 68 8.512 5.495 -0.809 523 3HD1 LEU 68 HD11 LEU 68 9.585 5.127 0.541 524 1HD2 LEU 68 HD22 LEU 68 8.664 3.204 -2.688 525 2HD2 LEU 68 HD21 LEU 68 7.566 2.222 -1.720 526 3HD2 LEU 68 HD23 LEU 68 7.307 3.961 -1.855 527 H LEU 69 HN LEU 69 9.934 0.856 1.443 528 HA LEU 69 HA LEU 69 8.236 1.926 3.390 529 1HB LEU 69 HB2 LEU 69 9.468 -0.640 2.810 530 2HB LEU 69 HB1 LEU 69 9.291 -0.397 4.538 531 HG LEU 69 HG LEU 69 6.953 0.167 2.724 532 1HD1 LEU 69 HD12 LEU 69 7.827 -2.543 3.745 533 2HD1 LEU 69 HD11 LEU 69 6.273 -2.194 2.995 534 3HD1 LEU 69 HD13 LEU 69 7.754 -2.052 2.055 535 1HD2 LEU 69 HD22 LEU 69 7.316 -0.843 5.562 536 2HD2 LEU 69 HD21 LEU 69 6.688 0.731 5.073 537 3HD2 LEU 69 HD23 LEU 69 5.755 -0.731 4.756 538 H LYS 70 HN LYS 70 11.414 0.499 4.079 539 HA LYS 70 HA LYS 70 11.814 1.202 6.697 540 1HB LYS 70 HB2 LYS 70 13.437 0.120 4.939 541 2HB LYS 70 HB1 LYS 70 14.040 1.767 4.757 542 1HG LYS 70 HG2 LYS 70 14.514 1.892 7.155 543 2HG LYS 70 HG1 LYS 70 13.837 0.280 7.394 544 1HD LYS 70 HD2 LYS 70 15.597 -0.769 6.234 545 2HD LYS 70 HD1 LYS 70 16.089 0.729 5.443 546 1HE LYS 70 HE2 LYS 70 16.171 0.687 8.421 547 2HE LYS 70 HE1 LYS 70 17.396 -0.255 7.574 548 1HZ LYS 70 HZ1 LYS 70 17.380 2.048 6.185 549 2HZ LYS 70 HZ3 LYS 70 17.075 2.604 7.758 550 3HZ LYS 70 HZ2 LYS 70 18.467 1.684 7.439 551 H THR 71 HN THR 71 12.304 3.414 3.926 552 HA THR 71 HA THR 71 13.240 5.634 5.439 553 HB THR 71 HB THR 71 11.531 6.548 3.315 554 HG1 THR 71 HG1 THR 71 13.129 5.108 1.879 555 1HG2 THR 71 HG21 THR 71 13.646 7.584 4.101 556 2HG2 THR 71 HG23 THR 71 14.540 6.205 3.459 557 3HG2 THR 71 HG22 THR 71 13.667 7.277 2.364 558 H ILE 72 HN ILE 72 9.959 4.519 4.715 559 HA ILE 72 HA ILE 72 8.533 6.731 5.791 560 HB ILE 72 HB ILE 72 7.690 3.831 6.000 561 1HG1 ILE 72 HG12 ILE 72 7.358 5.723 3.650 562 2HG1 ILE 72 HG11 ILE 72 8.484 4.369 3.698 563 1HG2 ILE 72 HG23 ILE 72 6.336 5.644 7.140 564 2HG2 ILE 72 HG22 ILE 72 6.048 6.335 5.544 565 3HG2 ILE 72 HG21 ILE 72 5.451 4.720 5.925 566 1HD1 ILE 72 HD11 ILE 72 6.364 2.954 4.299 567 2HD1 ILE 72 HD13 ILE 72 5.481 4.316 3.611 568 3HD1 ILE 72 HD12 ILE 72 6.633 3.424 2.620 569 NH1 ARG 73 NH2 ARG 73 12.200 -1.072 11.825 570 NH2 ARG 73 NH1 ARG 73 13.947 -0.449 10.535 571 H ARG 73 HN ARG 73 9.832 3.806 7.353 572 HA ARG 73 HA ARG 73 8.763 4.096 9.924 573 1HB ARG 73 HB2 ARG 73 10.194 2.199 9.275 574 2HB ARG 73 HB1 ARG 73 11.592 3.270 9.205 575 1HG ARG 73 HG2 ARG 73 11.761 3.433 11.489 576 2HG ARG 73 HG1 ARG 73 10.020 3.288 11.732 577 1HD ARG 73 HD2 ARG 73 11.325 1.289 12.532 578 2HD ARG 73 HD1 ARG 73 10.099 0.902 11.326 579 HE ARG 73 HE ARG 73 12.284 1.253 9.751 580 1HH1 ARG 73 HH21 ARG 73 11.279 -0.903 12.177 581 2HH1 ARG 73 HH22 ARG 73 12.704 -1.886 12.113 582 1HH2 ARG 73 HH11 ARG 73 14.366 0.197 9.896 583 2HH2 ARG 73 HH12 ARG 73 14.450 -1.263 10.822 584 H ALA 74 HN ALA 74 11.286 5.983 8.369 585 HA ALA 74 HA ALA 74 12.567 7.227 10.497 586 1HB ALA 74 HB2 ALA 74 11.513 8.538 7.974 587 2HB ALA 74 HB1 ALA 74 12.720 9.245 9.047 588 3HB ALA 74 HB3 ALA 74 13.085 7.762 8.166 589 H ASP 75 HN ASP 75 9.235 7.522 9.554 590 HA ASP 75 HA ASP 75 8.390 9.944 10.585 591 1HB ASP 75 HB2 ASP 75 6.847 8.296 9.610 592 2HB ASP 75 HB1 ASP 75 7.051 7.256 11.018 593 H GLY 76 HN GLY 76 7.551 7.313 12.751 594 1HA GLY 76 HA2 GLY 76 9.364 8.146 14.869 595 2HA GLY 76 HA1 GLY 76 7.720 8.731 15.122 596 H ALA 77 HN ALA 77 7.175 7.409 16.863 597 HA ALA 77 HA ALA 77 7.750 4.590 16.970 598 1HB ALA 77 HB3 ALA 77 5.657 6.231 18.430 599 2HB ALA 77 HB2 ALA 77 6.102 4.574 18.837 600 3HB ALA 77 HB1 ALA 77 7.285 5.872 19.005 601 H MET 78 HN MET 78 5.756 6.212 14.898 602 HA MET 78 HA MET 78 3.561 4.232 14.922 603 1HB MET 78 HB2 MET 78 4.066 6.523 12.998 604 2HB MET 78 HB1 MET 78 2.569 5.606 13.172 605 1HG MET 78 HG2 MET 78 1.901 6.996 14.805 606 2HG MET 78 HG1 MET 78 3.321 6.565 15.757 607 1HE MET 78 HE3 MET 78 2.616 8.985 16.624 608 2HE MET 78 HE2 MET 78 2.975 10.491 15.783 609 3HE MET 78 HE1 MET 78 1.600 9.512 15.275 610 H SER 79 HN SER 79 6.622 4.054 13.929 611 HA SER 79 HA SER 79 7.750 2.928 12.195 612 1HB SER 79 HB2 SER 79 6.413 1.107 13.364 613 2HB SER 79 HB1 SER 79 5.207 1.288 12.093 614 HG SER 79 HG SER 79 7.177 1.028 10.664 615 H ALA 80 HN ALA 80 5.775 1.495 10.183 616 HA ALA 80 HA ALA 80 5.454 3.896 8.420 617 1HB ALA 80 HB2 ALA 80 7.092 2.055 7.729 618 2HB ALA 80 HB1 ALA 80 5.674 1.036 7.504 619 3HB ALA 80 HB3 ALA 80 5.863 2.495 6.541 620 H LEU 81 HN LEU 81 3.609 2.233 10.403 621 HA LEU 81 HA LEU 81 1.378 1.621 10.489 622 1HB LEU 81 HB2 LEU 81 1.792 4.063 9.069 623 2HB LEU 81 HB1 LEU 81 0.472 3.227 8.309 624 HG LEU 81 HG LEU 81 -0.383 2.929 10.823 625 1HD1 LEU 81 HD13 LEU 81 1.856 3.957 11.593 626 2HD1 LEU 81 HD12 LEU 81 1.175 5.495 11.060 627 3HD1 LEU 81 HD11 LEU 81 0.379 4.572 12.334 628 1HD2 LEU 81 HD21 LEU 81 -1.496 4.249 9.040 629 2HD2 LEU 81 HD23 LEU 81 -1.606 5.028 10.618 630 3HD2 LEU 81 HD22 LEU 81 -0.441 5.608 9.428 631 HA PRO 82 HA PRO 82 0.397 -1.550 7.654 632 1HB PRO 82 HB2 PRO 82 -2.146 -0.713 6.631 633 2HB PRO 82 HB1 PRO 82 -1.807 -1.932 7.857 634 1HG PRO 82 HG2 PRO 82 -2.924 0.684 8.250 635 2HG PRO 82 HG1 PRO 82 -2.556 -0.528 9.483 636 1HD PRO 82 HD2 PRO 82 -1.176 1.927 8.954 637 2HD PRO 82 HD1 PRO 82 -0.790 0.725 10.199 638 H VAL 83 HN VAL 83 0.703 -2.156 5.601 639 HA VAL 83 HA VAL 83 0.399 -0.198 3.385 640 HB VAL 83 HB VAL 83 2.895 -1.672 4.224 641 1HG1 VAL 83 HG12 VAL 83 1.964 -1.068 1.405 642 2HG1 VAL 83 HG11 VAL 83 3.682 -1.110 1.792 643 3HG1 VAL 83 HG13 VAL 83 2.694 -2.550 2.021 644 1HG2 VAL 83 HG22 VAL 83 2.133 1.035 4.118 645 2HG2 VAL 83 HG21 VAL 83 3.754 0.405 4.371 646 3HG2 VAL 83 HG23 VAL 83 3.217 0.803 2.744 647 H LEU 84 HN LEU 84 -0.433 -1.201 1.585 648 HA LEU 84 HA LEU 84 -0.526 -4.174 1.681 649 1HB LEU 84 HB2 LEU 84 -2.777 -3.112 1.876 650 2HB LEU 84 HB1 LEU 84 -2.506 -2.323 0.323 651 HG LEU 84 HG LEU 84 -2.259 -4.550 -0.744 652 1HD1 LEU 84 HD11 LEU 84 -2.511 -5.420 2.100 653 2HD1 LEU 84 HD13 LEU 84 -3.282 -6.427 0.875 654 3HD1 LEU 84 HD12 LEU 84 -1.549 -6.113 0.794 655 1HD2 LEU 84 HD21 LEU 84 -4.666 -3.485 0.500 656 2HD2 LEU 84 HD23 LEU 84 -4.452 -4.172 -1.111 657 3HD2 LEU 84 HD22 LEU 84 -4.773 -5.229 0.265 658 H MET 85 HN MET 85 1.687 -3.778 0.694 659 HA MET 85 HA MET 85 1.990 -2.603 -1.850 660 1HB MET 85 HB2 MET 85 4.039 -3.886 -2.065 661 2HB MET 85 HB1 MET 85 3.879 -3.393 -0.381 662 1HG MET 85 HG2 MET 85 2.829 -5.637 0.091 663 2HG MET 85 HG1 MET 85 3.243 -6.116 -1.553 664 1HE MET 85 HE2 MET 85 4.731 -7.921 -1.365 665 2HE MET 85 HE1 MET 85 5.539 -6.744 -2.397 666 3HE MET 85 HE3 MET 85 6.464 -7.652 -1.194 667 H VAL 86 HN VAL 86 2.114 -3.636 -3.950 668 HA VAL 86 HA VAL 86 0.310 -6.016 -4.171 669 HB VAL 86 HB VAL 86 0.661 -3.738 -6.137 670 1HG1 VAL 86 HG11 VAL 86 -1.176 -6.130 -5.966 671 2HG1 VAL 86 HG13 VAL 86 -1.520 -4.741 -6.996 672 3HG1 VAL 86 HG12 VAL 86 -0.066 -5.701 -7.266 673 1HG2 VAL 86 HG21 VAL 86 -0.830 -3.905 -3.668 674 2HG2 VAL 86 HG23 VAL 86 -0.717 -2.555 -4.797 675 3HG2 VAL 86 HG22 VAL 86 -1.948 -3.798 -5.027 676 H THR 87 HN THR 87 1.051 -7.725 -5.449 677 HA THR 87 HA THR 87 3.404 -7.213 -7.204 678 HB THR 87 HB THR 87 4.413 -7.823 -5.059 679 HG1 THR 87 HG1 THR 87 5.735 -8.874 -6.280 680 1HG2 THR 87 HG23 THR 87 2.144 -9.355 -4.717 681 2HG2 THR 87 HG22 THR 87 3.387 -10.567 -5.025 682 3HG2 THR 87 HG21 THR 87 3.581 -9.422 -3.699 683 H ALA 88 HN ALA 88 4.038 -9.508 -8.204 684 HA ALA 88 HA ALA 88 1.519 -10.961 -8.904 685 1HB ALA 88 HB3 ALA 88 3.180 -9.343 -10.616 686 2HB ALA 88 HB2 ALA 88 3.242 -11.023 -11.148 687 3HB ALA 88 HB1 ALA 88 1.690 -10.198 -11.014 688 H GLU 89 HN GLU 89 4.968 -11.024 -8.339 689 HA GLU 89 HA GLU 89 4.936 -14.011 -8.611 690 1HB GLU 89 HB2 GLU 89 6.482 -12.555 -10.123 691 2HB GLU 89 HB1 GLU 89 7.443 -12.345 -8.657 692 1HG GLU 89 HG2 GLU 89 8.386 -14.251 -9.698 693 2HG GLU 89 HG1 GLU 89 7.338 -14.917 -8.445 694 H ALA 90 HN ALA 90 3.970 -13.413 -6.263 695 HA ALA 90 HA ALA 90 5.781 -12.627 -4.197 696 1HB ALA 90 HB3 ALA 90 3.094 -13.668 -4.381 697 2HB ALA 90 HB2 ALA 90 3.970 -14.503 -3.098 698 3HB ALA 90 HB1 ALA 90 3.833 -12.744 -3.073 699 H LYS 91 HN LYS 91 7.709 -13.676 -3.922 700 HA LYS 91 HA LYS 91 7.990 -16.517 -4.522 701 1HB LYS 91 HB2 LYS 91 9.785 -14.686 -4.781 702 2HB LYS 91 HB1 LYS 91 10.009 -14.830 -3.040 703 1HG LYS 91 HG2 LYS 91 10.481 -17.229 -3.278 704 2HG LYS 91 HG1 LYS 91 10.214 -17.119 -5.019 705 1HD LYS 91 HD2 LYS 91 12.209 -15.269 -3.768 706 2HD LYS 91 HD1 LYS 91 12.666 -16.955 -4.007 707 1HE LYS 91 HE2 LYS 91 12.587 -16.798 -6.312 708 2HE LYS 91 HE1 LYS 91 11.369 -15.523 -6.288 709 1HZ LYS 91 HZ2 LYS 91 14.065 -15.014 -5.221 710 2HZ LYS 91 HZ1 LYS 91 13.784 -14.933 -6.895 711 3HZ LYS 91 HZ3 LYS 91 12.933 -13.911 -5.844 712 H LYS 92 HN LYS 92 9.108 -14.959 -1.511 713 HA LYS 92 HA LYS 92 7.285 -16.345 0.219 714 1HB LYS 92 HB2 LYS 92 8.419 -18.369 -0.462 715 2HB LYS 92 HB1 LYS 92 9.999 -17.623 -0.219 716 1HG LYS 92 HG2 LYS 92 9.891 -17.812 2.072 717 2HG LYS 92 HG1 LYS 92 8.135 -17.642 2.107 718 1HD LYS 92 HD2 LYS 92 7.775 -19.892 1.571 719 2HD LYS 92 HD1 LYS 92 9.380 -20.082 0.866 720 1HE LYS 92 HE2 LYS 92 8.784 -20.997 3.320 721 2HE LYS 92 HE1 LYS 92 10.392 -20.401 2.906 722 1HZ LYS 92 HZ3 LYS 92 8.254 -18.665 4.000 723 2HZ LYS 92 HZ2 LYS 92 9.399 -19.452 4.978 724 3HZ LYS 92 HZ1 LYS 92 9.901 -18.300 3.834 725 H GLU 93 HN GLU 93 10.730 -16.288 0.915 726 HA GLU 93 HA GLU 93 10.507 -14.816 3.280 727 1HB GLU 93 HB2 GLU 93 13.009 -14.174 2.007 728 2HB GLU 93 HB1 GLU 93 12.713 -15.247 3.373 729 1HG GLU 93 HG2 GLU 93 12.107 -17.064 1.796 730 2HG GLU 93 HG1 GLU 93 12.467 -15.991 0.444 731 H ASN 94 HN ASN 94 10.777 -13.671 -0.040 732 HA ASN 94 HA ASN 94 11.434 -10.964 0.413 733 1HB ASN 94 HB2 ASN 94 11.313 -11.772 -1.850 734 2HB ASN 94 HB1 ASN 94 9.624 -12.238 -1.654 735 1HD2 ASN 94 HD22 ASN 94 8.455 -8.803 -1.794 736 2HD2 ASN 94 HD21 ASN 94 8.141 -10.264 -0.987 737 H ILE 95 HN ILE 95 8.472 -12.693 1.038 738 HA ILE 95 HA ILE 95 6.907 -10.234 1.410 739 HB ILE 95 HB ILE 95 6.210 -13.109 2.091 740 1HG1 ILE 95 HG12 ILE 95 5.178 -11.566 -0.281 741 2HG1 ILE 95 HG11 ILE 95 6.719 -12.417 -0.389 742 1HG2 ILE 95 HG22 ILE 95 4.571 -10.570 1.874 743 2HG2 ILE 95 HG21 ILE 95 3.865 -12.183 1.946 744 3HG2 ILE 95 HG23 ILE 95 4.803 -11.569 3.307 745 1HD1 ILE 95 HD12 ILE 95 4.435 -13.931 0.771 746 2HD1 ILE 95 HD11 ILE 95 4.377 -13.612 -0.962 747 3HD1 ILE 95 HD13 ILE 95 5.741 -14.490 -0.272 748 H ILE 96 HN ILE 96 8.988 -12.234 3.281 749 HA ILE 96 HA ILE 96 7.797 -11.507 5.859 750 HB ILE 96 HB ILE 96 10.348 -12.940 5.094 751 1HG1 ILE 96 HG12 ILE 96 7.894 -13.904 6.593 752 2HG1 ILE 96 HG11 ILE 96 8.096 -14.082 4.851 753 1HG2 ILE 96 HG23 ILE 96 9.299 -12.063 7.789 754 2HG2 ILE 96 HG22 ILE 96 10.379 -13.447 7.627 755 3HG2 ILE 96 HG21 ILE 96 10.917 -11.847 7.123 756 1HD1 ILE 96 HD12 ILE 96 10.472 -14.981 6.244 757 2HD1 ILE 96 HD11 ILE 96 9.045 -15.827 6.842 758 3HD1 ILE 96 HD13 ILE 96 9.439 -15.869 5.123 759 H ALA 97 HN ALA 97 11.041 -10.937 4.468 760 HA ALA 97 HA ALA 97 11.939 -8.986 6.232 761 1HB ALA 97 HB1 ALA 97 13.233 -9.902 4.275 762 2HB ALA 97 HB3 ALA 97 12.296 -8.838 3.225 763 3HB ALA 97 HB2 ALA 97 13.363 -8.152 4.451 764 H ALA 98 HN ALA 98 10.108 -8.366 3.241 765 HA ALA 98 HA ALA 98 9.751 -5.615 3.465 766 1HB ALA 98 HB2 ALA 98 8.828 -7.389 1.730 767 2HB ALA 98 HB1 ALA 98 7.387 -7.317 2.743 768 3HB ALA 98 HB3 ALA 98 7.988 -5.858 1.961 769 H ALA 99 HN ALA 99 7.625 -8.127 4.893 770 HA ALA 99 HA ALA 99 5.862 -6.413 6.234 771 1HB ALA 99 HB2 ALA 99 6.715 -9.230 6.541 772 2HB ALA 99 HB1 ALA 99 5.974 -8.497 7.964 773 3HB ALA 99 HB3 ALA 99 5.092 -8.548 6.438 774 H GLN 100 HN GLN 100 9.032 -7.619 7.313 775 HA GLN 100 HA GLN 100 8.911 -6.665 9.982 776 1HB GLN 100 HB2 GLN 100 11.023 -7.493 8.103 777 2HB GLN 100 HB1 GLN 100 11.557 -6.341 9.326 778 1HG GLN 100 HG2 GLN 100 10.683 -7.777 11.104 779 2HG GLN 100 HG1 GLN 100 10.054 -8.910 9.906 780 1HE2 GLN 100 HE22 GLN 100 13.842 -9.187 9.006 781 2HE2 GLN 100 HE21 GLN 100 12.688 -8.159 8.304 782 H ALA 101 HN ALA 101 9.097 -4.919 7.027 783 HA ALA 101 HA ALA 101 10.140 -2.487 8.387 784 1HB ALA 101 HB3 ALA 101 10.943 -3.254 6.075 785 2HB ALA 101 HB2 ALA 101 9.365 -2.740 5.480 786 3HB ALA 101 HB1 ALA 101 10.453 -1.564 6.215 787 H GLY 102 HN GLY 102 7.225 -3.739 6.843 788 1HA GLY 102 HA2 GLY 102 5.268 -2.537 8.240 789 2HA GLY 102 HA1 GLY 102 5.800 -1.220 7.216 790 H ALA 103 HN ALA 103 6.503 -3.553 5.255 791 HA ALA 103 HA ALA 103 4.297 -3.311 3.485 792 1HB ALA 103 HB2 ALA 103 6.813 -4.596 3.515 793 2HB ALA 103 HB1 ALA 103 5.617 -5.808 3.071 794 3HB ALA 103 HB3 ALA 103 5.759 -4.322 2.133 795 H SER 104 HN SER 104 4.052 -4.462 6.372 796 HA SER 104 HA SER 104 3.215 -6.951 6.802 797 1HB SER 104 HB2 SER 104 2.094 -4.353 7.617 798 2HB SER 104 HB1 SER 104 0.961 -5.694 7.752 799 HG SER 104 HG SER 104 2.384 -5.308 9.609 800 H GLY 105 HN GLY 105 1.374 -4.769 4.662 801 1HA GLY 105 HA2 GLY 105 -0.561 -6.978 4.176 802 2HA GLY 105 HA1 GLY 105 -0.768 -5.309 3.665 803 OH TYR 106 OH TYR 106 1.326 -13.651 -2.453 804 H TYR 106 HN TYR 106 -0.338 -8.238 2.401 805 HA TYR 106 HA TYR 106 1.040 -7.139 0.010 806 1HB TYR 106 HB2 TYR 106 2.866 -8.414 0.380 807 2HB TYR 106 HB1 TYR 106 2.093 -9.230 1.738 808 HD1 TYR 106 HD1 TYR 106 1.962 -9.153 -2.046 809 HD2 TYR 106 HD2 TYR 106 1.577 -11.497 1.538 810 HE1 TYR 106 HE1 TYR 106 1.689 -11.215 -3.399 811 HE2 TYR 106 HE2 TYR 106 1.303 -13.539 0.181 812 HH TYR 106 HH TYR 106 1.203 -14.390 -1.853 813 H VAL 107 HN VAL 107 -0.454 -7.290 -1.511 814 HA VAL 107 HA VAL 107 -2.213 -9.709 -1.571 815 HB VAL 107 HB VAL 107 -3.402 -7.551 -1.186 816 1HG1 VAL 107 HG12 VAL 107 -1.538 -6.441 -2.782 817 2HG1 VAL 107 HG11 VAL 107 -2.791 -6.721 -3.991 818 3HG1 VAL 107 HG13 VAL 107 -3.131 -5.722 -2.580 819 1HG2 VAL 107 HG21 VAL 107 -3.901 -9.527 -3.192 820 2HG2 VAL 107 HG23 VAL 107 -5.081 -8.541 -2.331 821 3HG2 VAL 107 HG22 VAL 107 -4.393 -7.967 -3.848 822 H VAL 108 HN VAL 108 -1.871 -11.007 -3.315 823 HA VAL 108 HA VAL 108 0.088 -10.352 -5.283 824 HB VAL 108 HB VAL 108 -2.222 -12.326 -5.565 825 1HG1 VAL 108 HG12 VAL 108 0.168 -11.699 -7.162 826 2HG1 VAL 108 HG11 VAL 108 0.000 -13.409 -6.778 827 3HG1 VAL 108 HG13 VAL 108 -1.297 -12.564 -7.622 828 1HG2 VAL 108 HG23 VAL 108 -0.786 -12.569 -3.461 829 2HG2 VAL 108 HG22 VAL 108 -0.845 -13.977 -4.520 830 3HG2 VAL 108 HG21 VAL 108 0.562 -12.917 -4.543 831 H LYS 109 HN LYS 109 -1.239 -10.782 -7.773 832 HA LYS 109 HA LYS 109 -3.549 -9.025 -7.963 833 1HB LYS 109 HB2 LYS 109 -2.585 -7.061 -8.655 834 2HB LYS 109 HB1 LYS 109 -1.225 -7.672 -7.725 835 1HG LYS 109 HG2 LYS 109 -0.405 -8.785 -9.872 836 2HG LYS 109 HG1 LYS 109 -1.622 -7.826 -10.721 837 1HD LYS 109 HD2 LYS 109 -0.598 -5.788 -9.547 838 2HD LYS 109 HD1 LYS 109 0.752 -6.847 -9.137 839 1HE LYS 109 HE2 LYS 109 -0.265 -6.303 -11.941 840 2HE LYS 109 HE1 LYS 109 1.197 -5.617 -11.230 841 1HZ LYS 109 HZ2 LYS 109 1.282 -8.375 -10.850 842 2HZ LYS 109 HZ1 LYS 109 0.867 -8.109 -12.477 843 3HZ LYS 109 HZ3 LYS 109 2.283 -7.426 -11.841 844 HA PRO 110 HA PRO 110 -4.377 -7.740 -9.897 845 1HB PRO 110 HB2 PRO 110 -6.589 -8.784 -11.386 846 2HB PRO 110 HB1 PRO 110 -5.482 -7.490 -11.865 847 1HG PRO 110 HG2 PRO 110 -5.650 -10.095 -13.007 848 2HG PRO 110 HG1 PRO 110 -4.429 -8.862 -13.349 849 1HD PRO 110 HD2 PRO 110 -4.173 -11.312 -11.753 850 2HD PRO 110 HD1 PRO 110 -2.897 -10.242 -12.369 851 H PHE 111 HN PHE 111 -6.561 -7.457 -8.848 852 HA PHE 111 HA PHE 111 -7.739 -9.933 -7.696 853 1HB PHE 111 HB2 PHE 111 -7.829 -8.739 -5.442 854 2HB PHE 111 HB1 PHE 111 -6.239 -9.304 -5.926 855 HD1 PHE 111 HD2 PHE 111 -8.481 -6.288 -5.905 856 HD2 PHE 111 HD1 PHE 111 -4.477 -7.799 -6.190 857 HE1 PHE 111 HE2 PHE 111 -7.581 -3.981 -5.871 858 HE2 PHE 111 HE1 PHE 111 -3.578 -5.497 -6.147 859 HZ PHE 111 HZ PHE 111 -5.141 -3.574 -5.981 860 H THR 112 HN THR 112 -9.808 -9.483 -6.683 861 HA THR 112 HA THR 112 -11.171 -7.132 -7.929 862 HB THR 112 HB THR 112 -12.469 -8.989 -8.535 863 HG1 THR 112 HG1 THR 112 -13.463 -7.399 -6.880 864 1HG2 THR 112 HG23 THR 112 -11.850 -10.123 -5.797 865 2HG2 THR 112 HG22 THR 112 -12.893 -10.896 -6.991 866 3HG2 THR 112 HG21 THR 112 -11.178 -10.671 -7.332 867 H ALA 113 HN ALA 113 -12.946 -6.260 -6.327 868 HA ALA 113 HA ALA 113 -11.568 -5.393 -3.975 869 1HB ALA 113 HB1 ALA 113 -13.734 -4.432 -5.199 870 2HB ALA 113 HB3 ALA 113 -14.569 -5.444 -4.020 871 3HB ALA 113 HB2 ALA 113 -13.484 -4.165 -3.474 872 H ALA 114 HN ALA 114 -13.489 -8.203 -4.668 873 HA ALA 114 HA ALA 114 -14.094 -8.913 -1.951 874 1HB ALA 114 HB3 ALA 114 -14.372 -10.104 -4.570 875 2HB ALA 114 HB2 ALA 114 -13.747 -11.296 -3.431 876 3HB ALA 114 HB1 ALA 114 -15.266 -10.466 -3.094 877 H THR 115 HN THR 115 -11.371 -9.751 -4.109 878 HA THR 115 HA THR 115 -10.045 -11.385 -2.143 879 HB THR 115 HB THR 115 -8.039 -10.299 -3.754 880 HG1 THR 115 HG1 THR 115 -9.883 -10.958 -5.631 881 1HG2 THR 115 HG22 THR 115 -9.791 -12.738 -4.145 882 2HG2 THR 115 HG21 THR 115 -8.256 -12.466 -4.970 883 3HG2 THR 115 HG23 THR 115 -8.294 -12.659 -3.218 884 H LEU 116 HN LEU 116 -9.112 -8.060 -3.302 885 HA LEU 116 HA LEU 116 -7.354 -7.482 -1.206 886 1HB LEU 116 HB2 LEU 116 -8.467 -6.043 -3.256 887 2HB LEU 116 HB1 LEU 116 -9.187 -5.265 -1.849 888 HG LEU 116 HG LEU 116 -6.880 -5.079 -0.855 889 1HD1 LEU 116 HD12 LEU 116 -6.259 -6.698 -3.171 890 2HD1 LEU 116 HD11 LEU 116 -5.321 -5.204 -3.202 891 3HD1 LEU 116 HD13 LEU 116 -5.238 -6.270 -1.803 892 1HD2 LEU 116 HD22 LEU 116 -8.068 -3.281 -2.293 893 2HD2 LEU 116 HD21 LEU 116 -6.333 -3.110 -2.041 894 3HD2 LEU 116 HD23 LEU 116 -6.942 -3.755 -3.563 895 H GLU 117 HN GLU 117 -10.926 -7.394 -1.110 896 HA GLU 117 HA GLU 117 -11.210 -6.114 1.392 897 1HB GLU 117 HB2 GLU 117 -12.845 -8.080 -0.162 898 2HB GLU 117 HB1 GLU 117 -13.304 -7.717 1.494 899 1HG GLU 117 HG2 GLU 117 -12.709 -5.356 -0.198 900 2HG GLU 117 HG1 GLU 117 -14.154 -6.267 -0.636 901 H GLU 118 HN GLU 118 -11.528 -9.607 0.835 902 HA GLU 118 HA GLU 118 -11.450 -10.504 3.450 903 1HB GLU 118 HB2 GLU 118 -10.165 -11.757 1.010 904 2HB GLU 118 HB1 GLU 118 -10.388 -12.597 2.545 905 1HG GLU 118 HG2 GLU 118 -12.855 -12.045 2.378 906 2HG GLU 118 HG1 GLU 118 -12.544 -11.478 0.737 907 H LYS 119 HN LYS 119 -8.763 -9.186 1.627 908 HA LYS 119 HA LYS 119 -6.804 -10.180 3.584 909 1HB LYS 119 HB2 LYS 119 -6.719 -8.951 0.938 910 2HB LYS 119 HB1 LYS 119 -5.523 -8.260 2.038 911 1HG LYS 119 HG2 LYS 119 -4.673 -10.483 2.577 912 2HG LYS 119 HG1 LYS 119 -5.924 -11.230 1.585 913 1HD LYS 119 HD2 LYS 119 -4.928 -9.746 -0.328 914 2HD LYS 119 HD1 LYS 119 -3.510 -9.661 0.717 915 1HE LYS 119 HE2 LYS 119 -4.639 -11.984 -0.760 916 2HE LYS 119 HE1 LYS 119 -2.958 -11.588 -0.405 917 1HZ LYS 119 HZ3 LYS 119 -3.911 -12.036 2.044 918 2HZ LYS 119 HZ2 LYS 119 -4.870 -13.115 1.147 919 3HZ LYS 119 HZ1 LYS 119 -3.176 -13.229 1.088 920 H LEU 120 HN LEU 120 -8.202 -7.014 2.673 921 HA LEU 120 HA LEU 120 -6.712 -5.463 4.531 922 1HB LEU 120 HB2 LEU 120 -8.728 -4.948 2.693 923 2HB LEU 120 HB1 LEU 120 -9.491 -4.583 4.241 924 HG LEU 120 HG LEU 120 -6.848 -3.468 3.252 925 1HD1 LEU 120 HD11 LEU 120 -9.049 -2.593 2.258 926 2HD1 LEU 120 HD13 LEU 120 -9.401 -1.974 3.872 927 3HD1 LEU 120 HD12 LEU 120 -7.986 -1.394 2.995 928 1HD2 LEU 120 HD22 LEU 120 -8.177 -3.544 5.903 929 2HD2 LEU 120 HD21 LEU 120 -6.470 -3.348 5.506 930 3HD2 LEU 120 HD23 LEU 120 -7.561 -1.967 5.409 931 H ASN 121 HN ASN 121 -9.807 -7.192 4.923 932 HA ASN 121 HA ASN 121 -10.263 -6.344 7.623 933 1HB ASN 121 HB2 ASN 121 -11.750 -7.712 5.839 934 2HB ASN 121 HB1 ASN 121 -11.161 -9.061 6.811 935 1HD2 ASN 121 HD22 ASN 121 -13.685 -8.416 9.177 936 2HD2 ASN 121 HD21 ASN 121 -12.876 -9.554 8.210 937 H LYS 122 HN LYS 122 -8.569 -9.133 6.237 938 HA LYS 122 HA LYS 122 -8.029 -10.534 8.637 939 1HB LYS 122 HB2 LYS 122 -7.169 -10.647 5.918 940 2HB LYS 122 HB1 LYS 122 -5.727 -10.672 6.935 941 1HG LYS 122 HG2 LYS 122 -6.643 -12.529 8.240 942 2HG LYS 122 HG1 LYS 122 -8.134 -12.481 7.299 943 1HD LYS 122 HD2 LYS 122 -6.002 -12.626 5.434 944 2HD LYS 122 HD1 LYS 122 -5.667 -13.828 6.680 945 1HE LYS 122 HE2 LYS 122 -8.020 -14.661 6.425 946 2HE LYS 122 HE1 LYS 122 -8.221 -13.550 5.071 947 1HZ LYS 122 HZ1 LYS 122 -6.034 -15.542 5.181 948 2HZ LYS 122 HZ3 LYS 122 -7.548 -15.893 4.500 949 3HZ LYS 122 HZ2 LYS 122 -6.583 -14.662 3.836 950 H ILE 123 HN ILE 123 -6.522 -7.671 7.256 951 HA ILE 123 HA ILE 123 -4.362 -7.689 9.256 952 HB ILE 123 HB ILE 123 -5.168 -5.752 7.078 953 1HG1 ILE 123 HG12 ILE 123 -2.662 -7.422 7.484 954 2HG1 ILE 123 HG11 ILE 123 -4.028 -7.928 6.493 955 1HG2 ILE 123 HG23 ILE 123 -3.167 -5.499 9.313 956 2HG2 ILE 123 HG22 ILE 123 -2.837 -4.740 7.757 957 3HG2 ILE 123 HG21 ILE 123 -4.266 -4.289 8.669 958 1HD1 ILE 123 HD11 ILE 123 -3.476 -5.359 5.567 959 2HD1 ILE 123 HD13 ILE 123 -1.881 -6.046 5.869 960 3HD1 ILE 123 HD12 ILE 123 -3.003 -6.864 4.783 961 H PHE 124 HN PHE 124 -7.262 -5.725 8.535 962 HA PHE 124 HA PHE 124 -6.956 -4.069 10.891 963 1HB PHE 124 HB2 PHE 124 -9.206 -4.559 8.945 964 2HB PHE 124 HB1 PHE 124 -9.429 -3.569 10.372 965 HD1 PHE 124 HD1 PHE 124 -6.011 -3.069 9.380 966 HD2 PHE 124 HD2 PHE 124 -10.046 -2.079 8.256 967 HE1 PHE 124 HE1 PHE 124 -5.187 -1.110 8.183 968 HE2 PHE 124 HE2 PHE 124 -9.191 -0.104 7.034 969 HZ PHE 124 HZ PHE 124 -6.775 0.370 6.992 970 H GLU 125 HN GLU 125 -7.268 -7.206 10.866 971 HA GLU 125 HA GLU 125 -9.448 -7.453 12.834 972 1HB GLU 125 HB2 GLU 125 -9.280 -9.445 11.605 973 2HB GLU 125 HB1 GLU 125 -7.521 -9.350 11.509 974 1HG GLU 125 HG2 GLU 125 -7.237 -10.109 13.723 975 2HG GLU 125 HG1 GLU 125 -8.907 -9.739 14.158 976 H LYS 126 HN LYS 126 -6.052 -6.933 12.633 977 HA LYS 126 HA LYS 126 -5.667 -7.356 15.548 978 1HB LYS 126 HB2 LYS 126 -3.948 -8.210 13.913 979 2HB LYS 126 HB1 LYS 126 -3.644 -6.541 13.432 980 1HG LYS 126 HG2 LYS 126 -2.260 -6.264 15.182 981 2HG LYS 126 HG1 LYS 126 -3.557 -6.692 16.296 982 1HD LYS 126 HD2 LYS 126 -3.040 -9.052 16.082 983 2HD LYS 126 HD1 LYS 126 -1.854 -8.720 14.819 984 1HE LYS 126 HE2 LYS 126 -1.059 -9.064 17.308 985 2HE LYS 126 HE1 LYS 126 -0.315 -7.813 16.312 986 1HZ LYS 126 HZ1 LYS 126 -2.715 -7.123 17.841 987 2HZ LYS 126 HZ3 LYS 126 -1.254 -7.283 18.686 988 3HZ LYS 126 HZ2 LYS 126 -1.382 -6.157 17.420 989 H LEU 127 HN LEU 127 -5.877 -4.909 13.048 990 HA LEU 127 HA LEU 127 -5.013 -2.698 14.717 991 1HB LEU 127 HB2 LEU 127 -5.315 -2.951 12.038 992 2HB LEU 127 HB1 LEU 127 -6.880 -2.237 12.413 993 HG LEU 127 HG LEU 127 -5.314 -0.461 11.884 994 1HD1 LEU 127 HD13 LEU 127 -6.947 -0.259 13.868 995 2HD1 LEU 127 HD12 LEU 127 -5.520 -0.429 14.892 996 3HD1 LEU 127 HD11 LEU 127 -5.642 0.920 13.765 997 1HD2 LEU 127 HD22 LEU 127 -3.419 -2.143 13.098 998 2HD2 LEU 127 HD21 LEU 127 -3.132 -0.531 12.448 999 3HD2 LEU 127 HD23 LEU 127 -3.520 -0.734 14.155 1000 H GLY 128 HN GLY 128 -7.981 -4.458 14.188 1001 1HA GLY 128 HA2 GLY 128 -10.136 -4.170 15.085 1002 2HA GLY 128 HA1 GLY 128 -9.259 -3.653 16.526 1003 H MET 129 HN MET 129 -10.884 -2.558 13.621 1004 HA MET 129 HA MET 129 -10.590 0.277 14.474 1005 1HB MET 129 HB2 MET 129 -11.978 0.468 12.190 1006 2HB MET 129 HB1 MET 129 -10.224 0.282 12.196 1007 1HG MET 129 HG2 MET 129 -11.373 -1.311 10.640 1008 2HG MET 129 HG1 MET 129 -10.429 -2.121 11.884 1009 1HE MET 129 HE3 MET 129 -12.484 -3.286 10.061 1010 2HE MET 129 HE2 MET 129 -12.033 -4.446 11.308 1011 3HE MET 129 HE1 MET 129 -13.735 -4.152 10.962 Start of MODEL 15 Raw file had 1011 H/Q atoms Start of MODEL 15 1 H ALA 2 HN ALA 2 -14.305 -0.461 7.469 2 HA ALA 2 HA ALA 2 -13.144 0.613 9.969 3 1HB ALA 2 HB1 ALA 2 -12.070 -1.298 8.725 4 2HB ALA 2 HB3 ALA 2 -11.735 -0.179 7.403 5 3HB ALA 2 HB2 ALA 2 -10.995 0.076 8.983 6 H ASP 3 HN ASP 3 -14.256 2.737 9.618 7 HA ASP 3 HA ASP 3 -14.257 4.970 8.893 8 1HB ASP 3 HB2 ASP 3 -11.572 4.157 9.359 9 2HB ASP 3 HB1 ASP 3 -11.566 5.148 7.900 10 H LYS 4 HN LYS 4 -15.555 4.987 7.069 11 HA LYS 4 HA LYS 4 -14.698 3.922 4.516 12 1HB LYS 4 HB2 LYS 4 -17.065 5.356 5.591 13 2HB LYS 4 HB1 LYS 4 -16.780 5.545 3.869 14 1HG LYS 4 HG2 LYS 4 -16.677 3.081 3.622 15 2HG LYS 4 HG1 LYS 4 -17.013 2.909 5.346 16 1HD LYS 4 HD2 LYS 4 -19.166 4.057 5.058 17 2HD LYS 4 HD1 LYS 4 -18.830 4.280 3.340 18 1HE LYS 4 HE2 LYS 4 -18.520 1.672 3.340 19 2HE LYS 4 HE1 LYS 4 -19.465 1.746 4.828 20 1HZ LYS 4 HZ2 LYS 4 -20.364 3.133 2.382 21 2HZ LYS 4 HZ1 LYS 4 -20.703 1.486 2.626 22 3HZ LYS 4 HZ3 LYS 4 -21.281 2.641 3.726 23 H GLU 5 HN GLU 5 -12.893 5.879 5.719 24 HA GLU 5 HA GLU 5 -12.585 7.615 3.374 25 1HB GLU 5 HB2 GLU 5 -13.089 8.713 6.156 26 2HB GLU 5 HB1 GLU 5 -12.357 9.663 4.863 27 1HG GLU 5 HG2 GLU 5 -14.402 9.075 3.450 28 2HG GLU 5 HG1 GLU 5 -15.135 8.464 4.935 29 H LEU 6 HN LEU 6 -11.078 5.407 4.638 30 HA LEU 6 HA LEU 6 -8.878 6.551 6.093 31 1HB LEU 6 HB2 LEU 6 -9.553 4.150 6.176 32 2HB LEU 6 HB1 LEU 6 -8.976 3.962 4.529 33 HG LEU 6 HG LEU 6 -6.690 4.593 5.249 34 1HD1 LEU 6 HD12 LEU 6 -8.141 5.097 7.805 35 2HD1 LEU 6 HD11 LEU 6 -6.507 4.438 7.902 36 3HD1 LEU 6 HD13 LEU 6 -6.791 5.975 7.084 37 1HD2 LEU 6 HD22 LEU 6 -8.208 2.301 6.367 38 2HD2 LEU 6 HD21 LEU 6 -6.772 2.314 5.350 39 3HD2 LEU 6 HD23 LEU 6 -6.627 2.603 7.083 40 H LYS 7 HN LYS 7 -7.044 7.529 5.278 41 HA LYS 7 HA LYS 7 -7.039 8.252 2.472 42 1HB LYS 7 HB2 LYS 7 -5.345 8.861 4.855 43 2HB LYS 7 HB1 LYS 7 -4.674 9.170 3.254 44 1HG LYS 7 HG2 LYS 7 -6.454 10.658 2.686 45 2HG LYS 7 HG1 LYS 7 -7.412 10.151 4.077 46 1HD LYS 7 HD2 LYS 7 -5.794 11.148 5.608 47 2HD LYS 7 HD1 LYS 7 -4.741 11.576 4.257 48 1HE LYS 7 HE2 LYS 7 -6.580 12.987 3.327 49 2HE LYS 7 HE1 LYS 7 -7.538 12.631 4.764 50 1HZ LYS 7 HZ1 LYS 7 -4.818 13.657 5.121 51 2HZ LYS 7 HZ3 LYS 7 -6.024 14.746 4.635 52 3HZ LYS 7 HZ2 LYS 7 -6.197 13.883 6.088 53 H PHE 8 HN PHE 8 -6.290 6.972 0.876 54 HA PHE 8 HA PHE 8 -4.151 4.995 1.483 55 1HB PHE 8 HB2 PHE 8 -6.139 5.189 -0.799 56 2HB PHE 8 HB1 PHE 8 -4.843 4.013 -0.733 57 HD1 PHE 8 HD1 PHE 8 -7.930 5.170 0.936 58 HD2 PHE 8 HD2 PHE 8 -5.017 2.043 0.623 59 HE1 PHE 8 HE1 PHE 8 -9.368 3.691 2.299 60 HE2 PHE 8 HE2 PHE 8 -6.468 0.557 2.001 61 HZ PHE 8 HZ PHE 8 -8.641 1.385 2.835 62 H LEU 9 HN LEU 9 -2.349 4.874 0.032 63 HA LEU 9 HA LEU 9 -2.068 7.205 -1.821 64 1HB LEU 9 HB2 LEU 9 -0.646 7.687 0.087 65 2HB LEU 9 HB1 LEU 9 0.040 6.065 0.038 66 HG LEU 9 HG LEU 9 1.097 6.504 -2.108 67 1HD1 LEU 9 HD13 LEU 9 -0.581 8.995 -1.993 68 2HD1 LEU 9 HD12 LEU 9 0.902 8.973 -2.940 69 3HD1 LEU 9 HD11 LEU 9 -0.402 7.847 -3.318 70 1HD2 LEU 9 HD21 LEU 9 1.460 8.644 -0.016 71 2HD2 LEU 9 HD23 LEU 9 2.480 7.243 -0.352 72 3HD2 LEU 9 HD22 LEU 9 2.448 8.601 -1.475 73 H VAL 10 HN VAL 10 -2.123 6.314 -3.815 74 HA VAL 10 HA VAL 10 -0.984 3.595 -4.202 75 HB VAL 10 HB VAL 10 -2.205 4.875 -6.536 76 1HG1 VAL 10 HG12 VAL 10 -1.727 2.400 -6.071 77 2HG1 VAL 10 HG11 VAL 10 -3.101 2.450 -4.965 78 3HG1 VAL 10 HG13 VAL 10 -3.337 2.779 -6.680 79 1HG2 VAL 10 HG23 VAL 10 -3.773 4.606 -3.951 80 2HG2 VAL 10 HG22 VAL 10 -3.547 6.067 -4.908 81 3HG2 VAL 10 HG21 VAL 10 -4.528 4.747 -5.538 82 H VAL 11 HN VAL 11 1.105 3.518 -4.838 83 HA VAL 11 HA VAL 11 2.166 5.667 -6.578 84 HB VAL 11 HB VAL 11 3.659 3.949 -4.586 85 1HG1 VAL 11 HG12 VAL 11 4.485 5.816 -6.724 86 2HG1 VAL 11 HG11 VAL 11 5.253 6.095 -5.162 87 3HG1 VAL 11 HG13 VAL 11 5.392 4.521 -5.945 88 1HG2 VAL 11 HG22 VAL 11 2.112 6.359 -4.271 89 2HG2 VAL 11 HG21 VAL 11 2.991 5.445 -3.045 90 3HG2 VAL 11 HG23 VAL 11 3.813 6.705 -3.962 91 H ASP 12 HN ASP 12 2.286 4.837 -8.643 92 HA ASP 12 HA ASP 12 4.015 2.637 -9.245 93 1HB ASP 12 HB2 ASP 12 1.627 1.681 -8.301 94 2HB ASP 12 HB1 ASP 12 1.289 1.790 -10.026 95 H ASP 13 HN ASP 13 4.725 3.120 -11.293 96 HA ASP 13 HA ASP 13 3.623 5.111 -12.959 97 1HB ASP 13 HB2 ASP 13 5.537 2.889 -13.290 98 2HB ASP 13 HB1 ASP 13 4.690 3.320 -14.776 99 H PHE 14 HN PHE 14 1.984 5.002 -14.627 100 HA PHE 14 HA PHE 14 0.768 2.462 -15.345 101 1HB PHE 14 HB2 PHE 14 -1.144 2.447 -14.015 102 2HB PHE 14 HB1 PHE 14 0.043 3.071 -12.870 103 HD1 PHE 14 HD1 PHE 14 0.381 5.865 -13.887 104 HD2 PHE 14 HD2 PHE 14 -3.151 3.524 -13.391 105 HE1 PHE 14 HE1 PHE 14 -0.949 7.940 -13.684 106 HE2 PHE 14 HE2 PHE 14 -4.504 5.586 -13.189 107 HZ PHE 14 HZ PHE 14 -3.402 7.803 -13.338 108 H SER 15 HN SER 15 -1.834 3.394 -15.575 109 HA SER 15 HA SER 15 -2.316 5.843 -16.862 110 1HB SER 15 HB2 SER 15 -1.650 5.551 -19.020 111 2HB SER 15 HB1 SER 15 -0.832 4.072 -18.526 112 HG SER 15 HG SER 15 -3.133 4.414 -19.933 113 H THR 16 HN THR 16 -3.102 3.364 -15.219 114 HA THR 16 HA THR 16 -5.960 3.404 -15.729 115 HB THR 16 HB THR 16 -5.763 1.875 -17.458 116 HG1 THR 16 HG1 THR 16 -5.488 0.381 -15.071 117 1HG2 THR 16 HG21 THR 16 -3.123 1.249 -16.142 118 2HG2 THR 16 HG23 THR 16 -3.804 0.117 -17.302 119 3HG2 THR 16 HG22 THR 16 -3.441 1.765 -17.796 120 H MET 17 HN MET 17 -3.327 1.376 -14.438 121 HA MET 17 HA MET 17 -4.475 -0.056 -12.421 122 1HB MET 17 HB2 MET 17 -2.015 0.116 -12.960 123 2HB MET 17 HB1 MET 17 -1.972 1.598 -12.008 124 1HG MET 17 HG2 MET 17 -2.897 0.289 -10.066 125 2HG MET 17 HG1 MET 17 -2.698 -1.170 -11.033 126 1HE MET 17 HE2 MET 17 -1.685 -1.627 -8.759 127 2HE MET 17 HE1 MET 17 0.050 -1.541 -8.467 128 3HE MET 17 HE3 MET 17 -0.994 -0.184 -8.024 129 NH1 ARG 18 NH2 ARG 18 0.480 8.213 -10.529 130 NH2 ARG 18 NH1 ARG 18 -1.495 9.224 -10.961 131 H ARG 18 HN ARG 18 -2.919 2.983 -11.376 132 HA ARG 18 HA ARG 18 -4.238 3.296 -8.978 133 1HB ARG 18 HB2 ARG 18 -3.782 5.673 -10.778 134 2HB ARG 18 HB1 ARG 18 -3.702 5.606 -9.020 135 1HG ARG 18 HG2 ARG 18 -1.778 3.970 -9.276 136 2HG ARG 18 HG1 ARG 18 -1.775 4.364 -10.995 137 1HD ARG 18 HD2 ARG 18 -1.514 6.424 -8.784 138 2HD ARG 18 HD1 ARG 18 -0.145 5.727 -9.650 139 HE ARG 18 HE ARG 18 -1.955 6.742 -11.580 140 1HH1 ARG 18 HH21 ARG 18 1.012 7.380 -10.383 141 2HH1 ARG 18 HH22 ARG 18 0.928 9.106 -10.490 142 1HH2 ARG 18 HH11 ARG 18 -2.476 9.165 -11.146 143 2HH2 ARG 18 HH12 ARG 18 -1.046 10.117 -10.921 144 NH1 ARG 19 NH2 ARG 19 -11.882 4.791 -15.889 145 NH2 ARG 19 NH1 ARG 19 -13.238 4.824 -14.080 146 H ARG 19 HN ARG 19 -5.621 3.917 -12.184 147 HA ARG 19 HA ARG 19 -7.975 5.231 -11.040 148 1HB ARG 19 HB2 ARG 19 -7.353 5.861 -13.287 149 2HB ARG 19 HB1 ARG 19 -7.396 4.185 -13.826 150 1HG ARG 19 HG2 ARG 19 -9.884 5.134 -12.542 151 2HG ARG 19 HG1 ARG 19 -9.492 5.930 -14.063 152 1HD ARG 19 HD2 ARG 19 -9.642 3.953 -15.293 153 2HD ARG 19 HD1 ARG 19 -9.327 2.930 -13.893 154 HE ARG 19 HE ARG 19 -11.634 2.989 -13.392 155 1HH1 ARG 19 HH21 ARG 19 -11.040 4.487 -16.335 156 2HH1 ARG 19 HH22 ARG 19 -12.526 5.377 -16.382 157 1HH2 ARG 19 HH11 ARG 19 -13.434 4.543 -13.140 158 2HH2 ARG 19 HH12 ARG 19 -13.883 5.408 -14.572 159 H ILE 20 HN ILE 20 -7.046 1.975 -11.962 160 HA ILE 20 HA ILE 20 -9.705 0.855 -11.930 161 HB ILE 20 HB ILE 20 -6.911 -0.208 -11.905 162 1HG1 ILE 20 HG12 ILE 20 -9.352 -1.068 -13.478 163 2HG1 ILE 20 HG11 ILE 20 -8.336 0.291 -13.963 164 1HG2 ILE 20 HG23 ILE 20 -9.351 -1.730 -10.966 165 2HG2 ILE 20 HG22 ILE 20 -7.980 -2.548 -11.709 166 3HG2 ILE 20 HG21 ILE 20 -7.755 -1.644 -10.213 167 1HD1 ILE 20 HD13 ILE 20 -7.293 -2.514 -13.475 168 2HD1 ILE 20 HD12 ILE 20 -7.703 -1.874 -15.067 169 3HD1 ILE 20 HD11 ILE 20 -6.392 -1.150 -14.137 170 H VAL 21 HN VAL 21 -7.076 0.886 -9.503 171 HA VAL 21 HA VAL 21 -8.634 -0.409 -7.470 172 HB VAL 21 HB VAL 21 -6.765 1.168 -6.129 173 1HG1 VAL 21 HG11 VAL 21 -6.620 -1.609 -7.329 174 2HG1 VAL 21 HG13 VAL 21 -5.407 -0.977 -6.217 175 3HG1 VAL 21 HG12 VAL 21 -7.075 -1.174 -5.682 176 1HG2 VAL 21 HG21 VAL 21 -5.998 1.890 -8.427 177 2HG2 VAL 21 HG23 VAL 21 -4.754 1.094 -7.465 178 3HG2 VAL 21 HG22 VAL 21 -5.577 0.208 -8.747 179 NH1 ARG 22 NH2 ARG 22 -6.225 8.784 -10.342 180 NH2 ARG 22 NH1 ARG 22 -7.934 8.000 -11.596 181 H ARG 22 HN ARG 22 -8.166 2.989 -8.349 182 HA ARG 22 HA ARG 22 -9.224 4.318 -6.137 183 1HB ARG 22 HB2 ARG 22 -9.074 4.818 -9.021 184 2HB ARG 22 HB1 ARG 22 -10.469 5.587 -8.270 185 1HG ARG 22 HG2 ARG 22 -8.995 6.618 -6.580 186 2HG ARG 22 HG1 ARG 22 -7.597 5.856 -7.336 187 1HD ARG 22 HD2 ARG 22 -9.447 7.612 -8.939 188 2HD ARG 22 HD1 ARG 22 -8.144 8.313 -7.980 189 HE ARG 22 HE ARG 22 -7.074 6.203 -9.583 190 1HH1 ARG 22 HH21 ARG 22 -5.678 8.749 -9.505 191 2HH1 ARG 22 HH22 ARG 22 -6.009 9.452 -11.054 192 1HH2 ARG 22 HH11 ARG 22 -8.696 7.365 -11.723 193 2HH2 ARG 22 HH12 ARG 22 -7.717 8.668 -12.308 194 H ASN 23 HN ASN 23 -11.108 3.004 -8.877 195 HA ASN 23 HA ASN 23 -13.688 3.478 -7.796 196 1HB ASN 23 HB2 ASN 23 -12.565 2.409 -10.086 197 2HB ASN 23 HB1 ASN 23 -13.351 1.036 -9.353 198 1HD2 ASN 23 HD22 ASN 23 -16.460 2.085 -10.630 199 2HD2 ASN 23 HD21 ASN 23 -15.382 0.808 -10.333 200 H LEU 24 HN LEU 24 -11.782 0.512 -7.968 201 HA LEU 24 HA LEU 24 -13.214 -1.339 -6.571 202 1HB LEU 24 HB2 LEU 24 -10.825 -1.479 -7.455 203 2HB LEU 24 HB1 LEU 24 -10.325 -0.773 -5.928 204 HG LEU 24 HG LEU 24 -12.086 -2.926 -5.300 205 1HD1 LEU 24 HD11 LEU 24 -9.993 -3.620 -7.384 206 2HD1 LEU 24 HD13 LEU 24 -10.724 -4.811 -6.311 207 3HD1 LEU 24 HD12 LEU 24 -11.726 -3.930 -7.461 208 1HD2 LEU 24 HD22 LEU 24 -9.125 -2.422 -5.022 209 2HD2 LEU 24 HD21 LEU 24 -10.364 -2.413 -3.771 210 3HD2 LEU 24 HD23 LEU 24 -9.840 -3.939 -4.480 211 H LEU 25 HN LEU 25 -10.855 0.685 -4.762 212 HA LEU 25 HA LEU 25 -11.925 0.139 -2.189 213 1HB LEU 25 HB2 LEU 25 -10.274 2.362 -3.349 214 2HB LEU 25 HB1 LEU 25 -10.945 2.565 -1.741 215 HG LEU 25 HG LEU 25 -9.586 -0.020 -2.355 216 1HD1 LEU 25 HD13 LEU 25 -8.254 2.665 -2.129 217 2HD1 LEU 25 HD12 LEU 25 -7.456 1.241 -1.463 218 3HD1 LEU 25 HD11 LEU 25 -7.850 1.308 -3.180 219 1HD2 LEU 25 HD22 LEU 25 -10.704 0.418 -0.179 220 2HD2 LEU 25 HD21 LEU 25 -8.967 0.183 0.019 221 3HD2 LEU 25 HD23 LEU 25 -9.649 1.809 0.069 222 H LYS 26 HN LYS 26 -12.752 2.728 -4.494 223 HA LYS 26 HA LYS 26 -14.591 4.084 -2.835 224 1HB LYS 26 HB2 LYS 26 -13.677 4.686 -5.216 225 2HB LYS 26 HB1 LYS 26 -15.078 3.780 -5.787 226 1HG LYS 26 HG2 LYS 26 -16.568 5.222 -4.468 227 2HG LYS 26 HG1 LYS 26 -15.176 6.115 -3.852 228 1HD LYS 26 HD2 LYS 26 -14.694 7.056 -5.961 229 2HD LYS 26 HD1 LYS 26 -15.659 5.853 -6.818 230 1HE LYS 26 HE2 LYS 26 -17.622 6.957 -6.431 231 2HE LYS 26 HE1 LYS 26 -17.123 7.494 -4.827 232 1HZ LYS 26 HZ1 LYS 26 -15.874 8.599 -7.263 233 2HZ LYS 26 HZ3 LYS 26 -17.331 9.231 -6.668 234 3HZ LYS 26 HZ2 LYS 26 -15.934 9.266 -5.701 235 H GLU 27 HN GLU 27 -14.873 1.094 -4.643 236 HA GLU 27 HA GLU 27 -17.651 0.828 -4.831 237 1HB GLU 27 HB2 GLU 27 -15.917 -0.804 -5.705 238 2HB GLU 27 HB1 GLU 27 -15.781 -1.421 -4.058 239 1HG GLU 27 HG2 GLU 27 -17.545 -2.752 -4.457 240 2HG GLU 27 HG1 GLU 27 -18.548 -1.312 -4.620 241 H LEU 28 HN LEU 28 -15.522 0.005 -2.098 242 HA LEU 28 HA LEU 28 -17.692 -0.848 -0.393 243 1HB LEU 28 HB2 LEU 28 -14.908 0.128 0.281 244 2HB LEU 28 HB1 LEU 28 -16.007 -0.612 1.440 245 HG LEU 28 HG LEU 28 -15.047 -1.931 -1.119 246 1HD1 LEU 28 HD12 LEU 28 -13.246 -1.576 0.578 247 2HD1 LEU 28 HD11 LEU 28 -14.218 -2.469 1.747 248 3HD1 LEU 28 HD13 LEU 28 -13.608 -3.278 0.305 249 1HD2 LEU 28 HD21 LEU 28 -16.997 -2.650 1.011 250 2HD2 LEU 28 HD23 LEU 28 -16.940 -3.147 -0.679 251 3HD2 LEU 28 HD22 LEU 28 -15.898 -3.932 0.507 252 H GLY 29 HN GLY 29 -15.672 2.092 -0.147 253 1HA GLY 29 HA2 GLY 29 -17.635 4.018 -0.139 254 2HA GLY 29 HA1 GLY 29 -17.645 3.394 1.501 255 H PHE 30 HN PHE 30 -14.557 3.372 -0.082 256 HA PHE 30 HA PHE 30 -13.648 5.450 1.812 257 1HB PHE 30 HB2 PHE 30 -12.134 3.696 -0.142 258 2HB PHE 30 HB1 PHE 30 -11.373 4.812 0.978 259 HD1 PHE 30 HD2 PHE 30 -13.266 1.701 0.628 260 HD2 PHE 30 HD1 PHE 30 -11.315 4.324 3.386 261 HE1 PHE 30 HE2 PHE 30 -13.372 -0.067 2.365 262 HE2 PHE 30 HE1 PHE 30 -11.399 2.558 5.128 263 HZ PHE 30 HZ PHE 30 -12.434 0.365 4.619 264 H ASN 31 HN ASN 31 -13.478 7.555 1.162 265 HA ASN 31 HA ASN 31 -13.093 8.121 -1.750 266 1HB ASN 31 HB2 ASN 31 -14.432 10.312 -0.924 267 2HB ASN 31 HB1 ASN 31 -15.247 8.887 -1.556 268 1HD2 ASN 31 HD22 ASN 31 -15.782 9.927 2.309 269 2HD2 ASN 31 HD21 ASN 31 -14.886 10.889 1.236 270 H ASN 32 HN ASN 32 -10.772 8.080 -0.787 271 HA ASN 32 HA ASN 32 -9.827 10.776 -0.591 272 1HB ASN 32 HB2 ASN 32 -10.797 9.834 1.840 273 2HB ASN 32 HB1 ASN 32 -9.065 9.542 1.954 274 1HD2 ASN 32 HD22 ASN 32 -10.373 13.422 1.533 275 2HD2 ASN 32 HD21 ASN 32 -11.350 12.154 0.968 276 H VAL 33 HN VAL 33 -8.302 10.103 -2.127 277 HA VAL 33 HA VAL 33 -6.071 8.481 -1.057 278 HB VAL 33 HB VAL 33 -7.320 6.732 -2.082 279 1HG1 VAL 33 HG12 VAL 33 -8.115 8.909 -3.885 280 2HG1 VAL 33 HG11 VAL 33 -7.801 7.386 -4.716 281 3HG1 VAL 33 HG13 VAL 33 -8.998 7.453 -3.422 282 1HG2 VAL 33 HG21 VAL 33 -4.839 7.197 -2.877 283 2HG2 VAL 33 HG23 VAL 33 -5.799 5.955 -3.675 284 3HG2 VAL 33 HG22 VAL 33 -5.615 7.542 -4.419 285 H GLU 34 HN GLU 34 -4.081 8.887 -2.163 286 HA GLU 34 HA GLU 34 -4.191 11.100 -4.185 287 1HB GLU 34 HB2 GLU 34 -2.242 10.586 -1.929 288 2HB GLU 34 HB1 GLU 34 -1.838 11.629 -3.287 289 1HG GLU 34 HG2 GLU 34 -4.309 12.611 -2.528 290 2HG GLU 34 HG1 GLU 34 -3.605 12.141 -0.985 291 H GLU 35 HN GLU 35 -1.652 10.993 -5.154 292 HA GLU 35 HA GLU 35 -1.072 8.158 -5.779 293 1HB GLU 35 HB2 GLU 35 -1.776 10.236 -7.872 294 2HB GLU 35 HB1 GLU 35 -1.072 8.661 -8.230 295 1HG GLU 35 HG2 GLU 35 -3.349 8.235 -8.508 296 2HG GLU 35 HG1 GLU 35 -3.097 7.733 -6.840 297 H ALA 36 HN ALA 36 0.925 7.959 -7.093 298 HA ALA 36 HA ALA 36 2.731 10.291 -7.071 299 1HB ALA 36 HB3 ALA 36 2.723 8.522 -4.913 300 2HB ALA 36 HB2 ALA 36 4.069 7.974 -5.913 301 3HB ALA 36 HB1 ALA 36 4.018 9.639 -5.332 302 H GLU 37 HN GLU 37 5.079 9.047 -7.745 303 HA GLU 37 HA GLU 37 4.357 7.276 -10.053 304 1HB GLU 37 HB2 GLU 37 6.531 9.356 -10.220 305 2HB GLU 37 HB1 GLU 37 5.705 8.517 -11.534 306 1HG GLU 37 HG2 GLU 37 3.589 9.678 -10.897 307 2HG GLU 37 HG1 GLU 37 4.489 10.585 -9.680 308 H ASP 38 HN ASP 38 6.083 7.472 -7.229 309 HA ASP 38 HA ASP 38 7.513 5.075 -7.633 310 1HB ASP 38 HB2 ASP 38 9.874 6.313 -7.640 311 2HB ASP 38 HB1 ASP 38 9.052 5.912 -9.147 312 H GLY 39 HN GLY 39 9.429 4.950 -5.937 313 1HA GLY 39 HA2 GLY 39 8.337 5.560 -3.382 314 2HA GLY 39 HA1 GLY 39 10.013 5.086 -3.669 315 H VAL 40 HN VAL 40 10.940 7.179 -5.225 316 HA VAL 40 HA VAL 40 11.579 9.174 -3.343 317 HB VAL 40 HB VAL 40 11.391 9.493 -6.358 318 1HG1 VAL 40 HG11 VAL 40 12.774 11.061 -4.174 319 2HG1 VAL 40 HG13 VAL 40 13.262 11.171 -5.865 320 3HG1 VAL 40 HG12 VAL 40 11.636 11.655 -5.382 321 1HG2 VAL 40 HG23 VAL 40 12.953 7.710 -4.908 322 2HG2 VAL 40 HG22 VAL 40 13.302 8.288 -6.537 323 3HG2 VAL 40 HG21 VAL 40 14.026 9.089 -5.142 324 H ASP 41 HN ASP 41 8.868 8.910 -5.572 325 HA ASP 41 HA ASP 41 7.844 11.577 -5.049 326 1HB ASP 41 HB2 ASP 41 7.363 10.038 -7.071 327 2HB ASP 41 HB1 ASP 41 6.211 9.230 -6.013 328 H ALA 42 HN ALA 42 6.805 8.301 -4.028 329 HA ALA 42 HA ALA 42 4.753 9.119 -2.258 330 1HB ALA 42 HB2 ALA 42 5.927 6.700 -2.960 331 2HB ALA 42 HB1 ALA 42 6.309 6.855 -1.247 332 3HB ALA 42 HB3 ALA 42 4.630 6.908 -1.782 333 H LEU 43 HN LEU 43 8.125 8.277 -1.407 334 HA LEU 43 HA LEU 43 8.127 8.963 1.280 335 1HB LEU 43 HB2 LEU 43 10.078 8.471 -0.679 336 2HB LEU 43 HB1 LEU 43 10.502 10.040 0.006 337 HG LEU 43 HG LEU 43 9.962 7.516 1.598 338 1HD1 LEU 43 HD12 LEU 43 12.251 8.255 0.181 339 2HD1 LEU 43 HD11 LEU 43 12.590 8.756 1.837 340 3HD1 LEU 43 HD13 LEU 43 12.175 7.077 1.491 341 1HD2 LEU 43 HD21 LEU 43 10.082 10.347 2.292 342 2HD2 LEU 43 HD23 LEU 43 9.585 8.976 3.284 343 3HD2 LEU 43 HD22 LEU 43 11.291 9.410 3.167 344 H ASN 44 HN ASN 44 8.608 11.205 -1.466 345 HA ASN 44 HA ASN 44 8.820 13.528 0.249 346 1HB ASN 44 HB2 ASN 44 8.587 13.027 -2.684 347 2HB ASN 44 HB1 ASN 44 8.178 14.639 -2.095 348 1HD2 ASN 44 HD22 ASN 44 12.055 13.317 -1.726 349 2HD2 ASN 44 HD21 ASN 44 10.805 12.183 -1.910 350 H LYS 45 HN LYS 45 6.143 11.890 -1.353 351 HA LYS 45 HA LYS 45 4.288 14.076 -0.643 352 1HB LYS 45 HB2 LYS 45 4.228 11.724 -2.412 353 2HB LYS 45 HB1 LYS 45 2.714 12.016 -1.555 354 1HG LYS 45 HG2 LYS 45 2.572 14.263 -2.398 355 2HG LYS 45 HG1 LYS 45 4.209 14.182 -3.050 356 1HD LYS 45 HD2 LYS 45 3.552 12.536 -4.690 357 2HD LYS 45 HD1 LYS 45 1.955 12.375 -3.958 358 1HE LYS 45 HE2 LYS 45 1.169 14.254 -4.964 359 2HE LYS 45 HE1 LYS 45 2.669 15.139 -4.686 360 1HZ LYS 45 HZ3 LYS 45 2.901 12.981 -6.583 361 2HZ LYS 45 HZ2 LYS 45 1.848 14.220 -7.076 362 3HZ LYS 45 HZ1 LYS 45 3.461 14.579 -6.682 363 H LEU 46 HN LEU 46 5.576 11.386 0.920 364 HA LEU 46 HA LEU 46 3.222 10.486 2.347 365 1HB LEU 46 HB2 LEU 46 6.007 9.803 2.231 366 2HB LEU 46 HB1 LEU 46 5.589 10.092 3.917 367 HG LEU 46 HG LEU 46 5.253 7.718 3.272 368 1HD1 LEU 46 HD13 LEU 46 3.322 9.460 4.489 369 2HD1 LEU 46 HD12 LEU 46 2.478 8.184 3.620 370 3HD1 LEU 46 HD11 LEU 46 3.665 7.772 4.856 371 1HD2 LEU 46 HD22 LEU 46 4.155 8.860 0.929 372 2HD2 LEU 46 HD21 LEU 46 4.255 7.146 1.335 373 3HD2 LEU 46 HD23 LEU 46 2.820 8.071 1.770 374 H GLN 47 HN GLN 47 4.918 13.370 2.423 375 HA GLN 47 HA GLN 47 4.496 13.853 5.312 376 1HB GLN 47 HB2 GLN 47 5.715 15.506 3.087 377 2HB GLN 47 HB1 GLN 47 5.470 16.130 4.719 378 1HG GLN 47 HG2 GLN 47 6.935 13.537 4.236 379 2HG GLN 47 HG1 GLN 47 7.773 15.088 4.183 380 1HE2 GLN 47 HE22 GLN 47 7.062 13.444 7.746 381 2HE2 GLN 47 HE21 GLN 47 6.983 12.596 6.278 382 H ALA 48 HN ALA 48 2.629 13.933 2.578 383 HA ALA 48 HA ALA 48 1.259 16.338 2.515 384 1HB ALA 48 HB2 ALA 48 0.846 13.917 1.365 385 2HB ALA 48 HB1 ALA 48 -0.486 13.939 2.519 386 3HB ALA 48 HB3 ALA 48 -0.338 15.222 1.318 387 H GLY 49 HN GLY 49 0.025 13.557 4.420 388 1HA GLY 49 HA2 GLY 49 -0.500 15.405 6.679 389 2HA GLY 49 HA1 GLY 49 -1.898 14.603 5.962 390 H GLY 50 HN GLY 50 -1.487 12.115 5.671 391 1HA GLY 50 HA2 GLY 50 0.298 10.655 7.275 392 2HA GLY 50 HA1 GLY 50 -1.100 11.002 8.292 393 OH TYR 51 OH TYR 51 -1.362 12.002 -0.291 394 H TYR 51 HN TYR 51 -0.277 9.705 5.084 395 HA TYR 51 HA TYR 51 -2.762 8.553 4.462 396 1HB TYR 51 HB2 TYR 51 0.055 7.670 3.807 397 2HB TYR 51 HB1 TYR 51 -1.377 6.909 3.121 398 HD1 TYR 51 HD1 TYR 51 -3.027 8.315 1.817 399 HD2 TYR 51 HD2 TYR 51 0.845 9.747 2.992 400 HE1 TYR 51 HE1 TYR 51 -3.198 10.144 0.154 401 HE2 TYR 51 HE2 TYR 51 0.678 11.575 1.328 402 HH TYR 51 HH TYR 51 -0.715 12.672 -0.058 403 H GLY 52 HN GLY 52 -3.763 7.549 6.220 404 1HA GLY 52 HA2 GLY 52 -2.546 5.764 8.045 405 2HA GLY 52 HA1 GLY 52 -4.255 5.750 7.642 406 H PHE 53 HN PHE 53 -2.894 5.446 4.740 407 HA PHE 53 HA PHE 53 -2.214 2.573 4.881 408 1HB PHE 53 HB2 PHE 53 -4.847 3.442 4.442 409 2HB PHE 53 HB1 PHE 53 -4.236 3.011 2.850 410 HD1 PHE 53 HD1 PHE 53 -4.631 1.744 6.334 411 HD2 PHE 53 HD2 PHE 53 -3.990 0.748 2.224 412 HE1 PHE 53 HE1 PHE 53 -5.020 -0.631 6.851 413 HE2 PHE 53 HE2 PHE 53 -4.395 -1.621 2.722 414 HZ PHE 53 HZ PHE 53 -4.886 -2.335 5.052 415 H VAL 54 HN VAL 54 -0.854 2.008 3.160 416 HA VAL 54 HA VAL 54 -0.651 3.948 0.886 417 HB VAL 54 HB VAL 54 1.622 2.851 2.555 418 1HG1 VAL 54 HG11 VAL 54 1.528 3.833 -0.271 419 2HG1 VAL 54 HG13 VAL 54 2.906 4.303 0.724 420 3HG1 VAL 54 HG12 VAL 54 2.557 2.596 0.449 421 1HG2 VAL 54 HG23 VAL 54 0.181 5.223 2.691 422 2HG2 VAL 54 HG22 VAL 54 1.795 4.969 3.351 423 3HG2 VAL 54 HG21 VAL 54 1.598 5.668 1.744 424 H ILE 55 HN ILE 55 -1.027 2.872 -0.948 425 HA ILE 55 HA ILE 55 -0.468 -0.054 -1.064 426 HB ILE 55 HB ILE 55 -1.938 1.663 -3.089 427 1HG1 ILE 55 HG12 ILE 55 -3.056 0.022 -0.793 428 2HG1 ILE 55 HG11 ILE 55 -3.083 1.783 -0.908 429 1HG2 ILE 55 HG22 ILE 55 -1.024 -0.591 -3.783 430 2HG2 ILE 55 HG21 ILE 55 -2.074 -1.318 -2.567 431 3HG2 ILE 55 HG23 ILE 55 -2.774 -0.438 -3.924 432 1HD1 ILE 55 HD11 ILE 55 -4.161 0.907 -3.340 433 2HD1 ILE 55 HD13 ILE 55 -4.868 -0.166 -2.132 434 3HD1 ILE 55 HD12 ILE 55 -5.060 1.582 -1.981 435 H SER 56 HN SER 56 1.528 -0.526 -1.889 436 HA SER 56 HA SER 56 2.507 1.078 -4.219 437 1HB SER 56 HB2 SER 56 4.738 1.101 -3.325 438 2HB SER 56 HB1 SER 56 3.674 1.683 -2.049 439 HG SER 56 HG SER 56 5.335 -0.113 -1.660 440 H ASP 57 HN ASP 57 4.223 -0.174 -5.449 441 HA ASP 57 HA ASP 57 3.328 -2.980 -5.680 442 1HB ASP 57 HB2 ASP 57 4.726 -2.990 -7.736 443 2HB ASP 57 HB1 ASP 57 3.553 -1.672 -7.742 444 CH2 TRP 58 CH2 TRP 58 10.206 -6.882 -0.728 445 H TRP 58 HN TRP 58 6.427 -2.843 -6.823 446 HA TRP 58 HA TRP 58 7.872 -3.254 -4.321 447 1HB TRP 58 HB2 TRP 58 6.672 -5.407 -4.508 448 2HB TRP 58 HB1 TRP 58 7.322 -5.628 -6.132 449 HD1 TRP 58 HD1 TRP 58 9.938 -6.095 -6.373 450 HE1 TRP 58 HE1 TRP 58 11.665 -7.035 -4.705 451 HE3 TRP 58 HE3 TRP 58 7.357 -5.508 -2.005 452 HZ2 TRP 58 HZ2 TRP 58 11.918 -7.479 -1.890 453 HZ3 TRP 58 HZ3 TRP 58 8.364 -6.195 0.151 454 HH2 TRP 58 HH2 TRP 58 10.638 -7.181 0.215 455 H ASN 59 HN ASN 59 7.663 -2.992 -7.743 456 HA ASN 59 HA ASN 59 10.647 -3.016 -7.981 457 1HB ASN 59 HB2 ASN 59 8.534 -4.091 -9.630 458 2HB ASN 59 HB1 ASN 59 9.476 -2.917 -10.548 459 1HD2 ASN 59 HD22 ASN 59 12.011 -5.293 -11.060 460 2HD2 ASN 59 HD21 ASN 59 11.063 -4.033 -11.689 461 H MET 60 HN MET 60 11.084 -0.872 -7.406 462 HA MET 60 HA MET 60 9.555 1.337 -8.554 463 1HB MET 60 HB2 MET 60 11.731 0.970 -6.593 464 2HB MET 60 HB1 MET 60 11.867 2.451 -7.535 465 1HG MET 60 HG2 MET 60 10.548 2.861 -5.507 466 2HG MET 60 HG1 MET 60 9.516 3.017 -6.927 467 1HE MET 60 HE3 MET 60 7.710 2.975 -5.121 468 2HE MET 60 HE2 MET 60 7.132 2.216 -6.603 469 3HE MET 60 HE1 MET 60 6.741 1.497 -5.042 470 HA PRO 61 HA PRO 61 11.787 1.913 -12.311 471 1HB PRO 61 HB2 PRO 61 12.564 4.655 -11.892 472 2HB PRO 61 HB1 PRO 61 11.250 4.036 -12.901 473 1HG PRO 61 HG2 PRO 61 11.052 5.379 -10.340 474 2HG PRO 61 HG1 PRO 61 9.741 4.836 -11.395 475 1HD PRO 61 HD2 PRO 61 10.510 3.700 -8.902 476 2HD PRO 61 HD1 PRO 61 9.315 3.059 -10.046 477 H ASN 62 HN ASN 62 13.351 3.412 -9.474 478 HA ASN 62 HA ASN 62 16.018 2.780 -10.622 479 1HB ASN 62 HB2 ASN 62 15.116 4.410 -8.238 480 2HB ASN 62 HB1 ASN 62 16.811 4.017 -8.530 481 1HD2 ASN 62 HD22 ASN 62 15.495 5.912 -11.837 482 2HD2 ASN 62 HD21 ASN 62 14.995 4.341 -11.436 483 H MET 63 HN MET 63 15.934 2.842 -7.224 484 HA MET 63 HA MET 63 16.830 0.101 -7.027 485 1HB MET 63 HB2 MET 63 16.091 2.240 -5.032 486 2HB MET 63 HB1 MET 63 16.445 0.599 -4.495 487 1HG MET 63 HG2 MET 63 18.453 2.102 -4.477 488 2HG MET 63 HG1 MET 63 18.651 0.682 -5.502 489 1HE MET 63 HE2 MET 63 17.316 4.247 -5.368 490 2HE MET 63 HE1 MET 63 19.066 4.426 -5.285 491 3HE MET 63 HE3 MET 63 18.173 5.062 -6.674 492 H ASP 64 HN ASP 64 15.399 -0.827 -4.737 493 HA ASP 64 HA ASP 64 12.855 -1.603 -6.057 494 1HB ASP 64 HB2 ASP 64 13.076 -2.945 -3.600 495 2HB ASP 64 HB1 ASP 64 13.443 -3.603 -5.194 496 H GLY 65 HN GLY 65 10.988 -1.932 -4.299 497 1HA GLY 65 HA2 GLY 65 10.652 0.727 -3.056 498 2HA GLY 65 HA1 GLY 65 9.376 -0.465 -3.262 499 H LEU 66 HN LEU 66 12.329 -1.712 -1.976 500 HA LEU 66 HA LEU 66 10.973 -2.113 0.613 501 1HB LEU 66 HB2 LEU 66 12.236 -4.009 -0.354 502 2HB LEU 66 HB1 LEU 66 13.709 -3.041 -0.334 503 HG LEU 66 HG LEU 66 13.594 -2.874 2.118 504 1HD1 LEU 66 HD13 LEU 66 10.956 -4.218 1.653 505 2HD1 LEU 66 HD12 LEU 66 11.838 -4.589 3.135 506 3HD1 LEU 66 HD11 LEU 66 11.371 -2.925 2.780 507 1HD2 LEU 66 HD22 LEU 66 13.429 -5.619 0.877 508 2HD2 LEU 66 HD21 LEU 66 14.860 -4.742 1.420 509 3HD2 LEU 66 HD23 LEU 66 13.735 -5.413 2.602 510 H GLU 67 HN GLU 67 13.802 -0.444 -0.728 511 HA GLU 67 HA GLU 67 14.705 0.654 1.785 512 1HB GLU 67 HB2 GLU 67 15.134 1.312 -1.125 513 2HB GLU 67 HB1 GLU 67 15.680 2.441 0.112 514 1HG GLU 67 HG2 GLU 67 17.164 0.859 1.065 515 2HG GLU 67 HG1 GLU 67 16.390 -0.489 0.231 516 H LEU 68 HN LEU 68 12.109 1.208 -0.325 517 HA LEU 68 HA LEU 68 11.539 3.982 0.393 518 1HB LEU 68 HB2 LEU 68 10.787 3.204 -1.757 519 2HB LEU 68 HB1 LEU 68 10.055 1.774 -1.055 520 HG LEU 68 HG LEU 68 8.383 3.238 0.105 521 1HD1 LEU 68 HD11 LEU 68 9.977 5.340 -1.345 522 2HD1 LEU 68 HD13 LEU 68 8.266 5.594 -1.012 523 3HD1 LEU 68 HD12 LEU 68 9.393 5.342 0.318 524 1HD2 LEU 68 HD22 LEU 68 8.675 3.303 -2.898 525 2HD2 LEU 68 HD21 LEU 68 7.657 2.247 -1.923 526 3HD2 LEU 68 HD23 LEU 68 7.250 3.954 -2.087 527 H LEU 69 HN LEU 69 9.679 0.991 0.849 528 HA LEU 69 HA LEU 69 8.019 1.919 2.938 529 1HB LEU 69 HB2 LEU 69 7.215 -0.044 2.075 530 2HB LEU 69 HB1 LEU 69 8.821 -0.677 1.757 531 HG LEU 69 HG LEU 69 9.053 -1.255 4.155 532 1HD1 LEU 69 HD11 LEU 69 6.951 0.559 4.503 533 2HD1 LEU 69 HD13 LEU 69 6.209 -1.017 4.744 534 3HD1 LEU 69 HD12 LEU 69 7.589 -0.534 5.727 535 1HD2 LEU 69 HD21 LEU 69 8.017 -2.777 2.411 536 2HD2 LEU 69 HD23 LEU 69 7.590 -3.125 4.080 537 3HD2 LEU 69 HD22 LEU 69 6.447 -2.281 3.046 538 H LYS 70 HN LYS 70 11.197 0.346 3.045 539 HA LYS 70 HA LYS 70 11.373 0.041 5.875 540 1HB LYS 70 HB2 LYS 70 12.970 -1.002 4.286 541 2HB LYS 70 HB1 LYS 70 13.609 0.595 3.896 542 1HG LYS 70 HG2 LYS 70 13.540 0.187 6.769 543 2HG LYS 70 HG1 LYS 70 14.463 -1.089 5.974 544 1HD LYS 70 HD2 LYS 70 14.878 1.859 5.411 545 2HD LYS 70 HD1 LYS 70 15.817 0.958 6.603 546 1HE LYS 70 HE2 LYS 70 15.701 -0.472 4.079 547 2HE LYS 70 HE1 LYS 70 16.351 1.152 3.856 548 1HZ LYS 70 HZ2 LYS 70 17.781 0.626 5.869 549 2HZ LYS 70 HZ1 LYS 70 17.348 -0.998 5.622 550 3HZ LYS 70 HZ3 LYS 70 18.184 -0.152 4.413 551 H THR 71 HN THR 71 12.431 2.711 3.743 552 HA THR 71 HA THR 71 13.530 4.414 5.682 553 HB THR 71 HB THR 71 11.845 5.149 3.268 554 HG1 THR 71 HG1 THR 71 13.786 5.261 2.248 555 1HG2 THR 71 HG23 THR 71 13.466 6.775 5.207 556 2HG2 THR 71 HG22 THR 71 13.312 7.296 3.529 557 3HG2 THR 71 HG21 THR 71 11.873 7.118 4.534 558 H ILE 72 HN ILE 72 10.106 4.133 4.689 559 HA ILE 72 HA ILE 72 8.995 6.097 6.354 560 HB ILE 72 HB ILE 72 7.823 3.348 5.813 561 1HG1 ILE 72 HG12 ILE 72 7.573 5.926 4.226 562 2HG1 ILE 72 HG11 ILE 72 8.558 4.544 3.748 563 1HG2 ILE 72 HG21 ILE 72 6.649 4.645 7.561 564 2HG2 ILE 72 HG23 ILE 72 6.525 6.015 6.459 565 3HG2 ILE 72 HG22 ILE 72 5.665 4.518 6.104 566 1HD1 ILE 72 HD11 ILE 72 6.349 3.181 4.001 567 2HD1 ILE 72 HD13 ILE 72 5.557 4.754 3.908 568 3HD1 ILE 72 HD12 ILE 72 6.555 4.188 2.569 569 NH1 ARG 73 NH2 ARG 73 12.862 -2.075 12.622 570 NH2 ARG 73 NH1 ARG 73 14.223 -1.370 10.961 571 H ARG 73 HN ARG 73 9.775 2.705 7.152 572 HA ARG 73 HA ARG 73 8.896 2.812 9.872 573 1HB ARG 73 HB2 ARG 73 9.553 0.740 8.524 574 2HB ARG 73 HB1 ARG 73 11.230 1.174 8.867 575 1HG ARG 73 HG2 ARG 73 10.411 1.309 11.353 576 2HG ARG 73 HG1 ARG 73 9.072 0.318 10.778 577 1HD ARG 73 HD2 ARG 73 10.478 -1.416 11.226 578 2HD ARG 73 HD1 ARG 73 11.193 -0.998 9.671 579 HE ARG 73 HE ARG 73 12.472 0.627 11.576 580 1HH1 ARG 73 HH21 ARG 73 12.015 -1.984 13.144 581 2HH1 ARG 73 HH22 ARG 73 13.514 -2.800 12.848 582 1HH2 ARG 73 HH11 ARG 73 14.418 -0.737 10.211 583 2HH2 ARG 73 HH12 ARG 73 14.875 -2.094 11.187 584 H ALA 74 HN ALA 74 11.838 3.904 8.303 585 HA ALA 74 HA ALA 74 13.671 4.086 10.371 586 1HB ALA 74 HB3 ALA 74 13.822 4.973 7.937 587 2HB ALA 74 HB2 ALA 74 13.169 6.472 8.598 588 3HB ALA 74 HB1 ALA 74 14.707 5.843 9.190 589 H ASP 75 HN ASP 75 10.708 5.928 10.003 590 HA ASP 75 HA ASP 75 11.326 7.958 11.950 591 1HB ASP 75 HB2 ASP 75 9.488 8.260 10.369 592 2HB ASP 75 HB1 ASP 75 8.654 6.854 11.031 593 H GLY 76 HN GLY 76 12.076 7.131 13.897 594 1HA GLY 76 HA2 GLY 76 10.953 4.808 15.184 595 2HA GLY 76 HA1 GLY 76 12.020 5.985 15.949 596 H ALA 77 HN ALA 77 8.633 5.496 14.959 597 HA ALA 77 HA ALA 77 7.660 6.568 17.465 598 1HB ALA 77 HB2 ALA 77 8.333 8.545 15.714 599 2HB ALA 77 HB1 ALA 77 6.658 8.252 15.244 600 3HB ALA 77 HB3 ALA 77 7.044 8.695 16.907 601 H MET 78 HN MET 78 6.567 6.425 14.049 602 HA MET 78 HA MET 78 4.076 5.111 14.960 603 1HB MET 78 HB2 MET 78 4.991 6.262 12.321 604 2HB MET 78 HB1 MET 78 3.515 5.306 12.462 605 1HG MET 78 HG2 MET 78 3.991 7.614 14.329 606 2HG MET 78 HG1 MET 78 3.363 7.906 12.708 607 1HE MET 78 HE1 MET 78 2.168 8.492 15.591 608 2HE MET 78 HE3 MET 78 1.249 9.020 14.174 609 3HE MET 78 HE2 MET 78 0.455 8.102 15.452 610 H SER 79 HN SER 79 6.174 4.523 12.146 611 HA SER 79 HA SER 79 6.726 2.474 11.114 612 1HB SER 79 HB2 SER 79 8.422 2.427 12.806 613 2HB SER 79 HB1 SER 79 7.261 1.981 14.053 614 HG SER 79 HG SER 79 8.359 0.145 13.384 615 H ALA 80 HN ALA 80 3.887 2.861 12.033 616 HA ALA 80 HA ALA 80 3.124 -0.032 12.121 617 1HB ALA 80 HB2 ALA 80 2.763 1.238 14.307 618 2HB ALA 80 HB1 ALA 80 1.555 2.189 13.443 619 3HB ALA 80 HB3 ALA 80 1.338 0.449 13.633 620 H LEU 81 HN LEU 81 2.855 2.995 10.567 621 HA LEU 81 HA LEU 81 0.291 3.078 9.538 622 1HB LEU 81 HB2 LEU 81 2.607 4.394 8.956 623 2HB LEU 81 HB1 LEU 81 2.366 3.458 7.482 624 HG LEU 81 HG LEU 81 -0.008 4.303 7.412 625 1HD1 LEU 81 HD13 LEU 81 0.907 5.596 9.913 626 2HD1 LEU 81 HD12 LEU 81 0.041 6.656 8.803 627 3HD1 LEU 81 HD11 LEU 81 -0.723 5.180 9.388 628 1HD2 LEU 81 HD23 LEU 81 2.440 5.955 7.074 629 2HD2 LEU 81 HD22 LEU 81 1.224 5.487 5.885 630 3HD2 LEU 81 HD21 LEU 81 0.899 6.809 7.006 631 HA PRO 82 HA PRO 82 0.278 -1.105 7.735 632 1HB PRO 82 HB2 PRO 82 -2.273 -0.573 6.513 633 2HB PRO 82 HB1 PRO 82 -1.917 -1.622 7.880 634 1HG PRO 82 HG2 PRO 82 -3.230 0.920 7.944 635 2HG PRO 82 HG1 PRO 82 -2.807 -0.102 9.319 636 1HD PRO 82 HD2 PRO 82 -1.599 2.385 8.515 637 2HD PRO 82 HD1 PRO 82 -1.198 1.374 9.921 638 H VAL 83 HN VAL 83 1.388 -1.524 5.931 639 HA VAL 83 HA VAL 83 0.912 0.132 3.480 640 HB VAL 83 HB VAL 83 3.312 -1.407 4.478 641 1HG1 VAL 83 HG11 VAL 83 2.476 -0.852 1.617 642 2HG1 VAL 83 HG13 VAL 83 4.181 -0.926 2.052 643 3HG1 VAL 83 HG12 VAL 83 3.153 -2.334 2.292 644 1HG2 VAL 83 HG21 VAL 83 2.721 1.206 4.579 645 2HG2 VAL 83 HG23 VAL 83 4.370 0.639 4.315 646 3HG2 VAL 83 HG22 VAL 83 3.385 1.155 2.946 647 H LEU 84 HN LEU 84 -0.444 -0.949 2.107 648 HA LEU 84 HA LEU 84 -0.330 -3.890 2.224 649 1HB LEU 84 HB2 LEU 84 -2.540 -2.938 2.543 650 2HB LEU 84 HB1 LEU 84 -2.412 -2.054 1.033 651 HG LEU 84 HG LEU 84 -2.644 -3.999 -0.276 652 1HD1 LEU 84 HD13 LEU 84 -1.910 -5.557 2.217 653 2HD1 LEU 84 HD12 LEU 84 -2.567 -6.312 0.771 654 3HD1 LEU 84 HD11 LEU 84 -1.019 -5.479 0.694 655 1HD2 LEU 84 HD21 LEU 84 -4.311 -4.346 2.232 656 2HD2 LEU 84 HD23 LEU 84 -4.768 -3.501 0.754 657 3HD2 LEU 84 HD22 LEU 84 -4.577 -5.254 0.753 658 H MET 85 HN MET 85 1.748 -3.704 1.091 659 HA MET 85 HA MET 85 2.176 -2.624 -1.426 660 1HB MET 85 HB2 MET 85 3.314 -4.865 0.116 661 2HB MET 85 HB1 MET 85 3.527 -5.008 -1.629 662 1HG MET 85 HG2 MET 85 4.614 -2.870 -1.756 663 2HG MET 85 HG1 MET 85 4.183 -2.485 -0.090 664 1HE MET 85 HE2 MET 85 6.571 -1.774 -0.645 665 2HE MET 85 HE1 MET 85 7.920 -2.655 0.067 666 3HE MET 85 HE3 MET 85 7.507 -2.889 -1.638 667 H VAL 86 HN VAL 86 2.407 -4.026 -3.509 668 HA VAL 86 HA VAL 86 0.180 -5.966 -3.800 669 HB VAL 86 HB VAL 86 0.473 -3.448 -5.471 670 1HG1 VAL 86 HG13 VAL 86 -1.413 -5.801 -5.571 671 2HG1 VAL 86 HG12 VAL 86 -1.797 -4.249 -6.319 672 3HG1 VAL 86 HG11 VAL 86 -0.391 -5.163 -6.860 673 1HG2 VAL 86 HG23 VAL 86 -1.470 -4.253 -3.294 674 2HG2 VAL 86 HG22 VAL 86 -0.443 -2.822 -3.348 675 3HG2 VAL 86 HG21 VAL 86 -1.816 -2.964 -4.446 676 H THR 87 HN THR 87 1.087 -7.700 -4.914 677 HA THR 87 HA THR 87 2.804 -7.075 -7.248 678 HB THR 87 HB THR 87 4.425 -7.195 -5.414 679 HG1 THR 87 HG1 THR 87 5.716 -8.661 -6.386 680 1HG2 THR 87 HG23 THR 87 3.020 -8.571 -3.895 681 2HG2 THR 87 HG22 THR 87 3.308 -9.969 -4.932 682 3HG2 THR 87 HG21 THR 87 4.651 -9.219 -4.068 683 H ALA 88 HN ALA 88 3.600 -9.405 -8.120 684 HA ALA 88 HA ALA 88 1.227 -11.231 -8.017 685 1HB ALA 88 HB2 ALA 88 1.616 -9.810 -10.166 686 2HB ALA 88 HB1 ALA 88 2.959 -10.913 -10.462 687 3HB ALA 88 HB3 ALA 88 1.313 -11.537 -10.347 688 H GLU 89 HN GLU 89 4.726 -10.954 -8.605 689 HA GLU 89 HA GLU 89 5.018 -13.886 -8.261 690 1HB GLU 89 HB2 GLU 89 6.265 -12.375 -10.017 691 2HB GLU 89 HB1 GLU 89 7.320 -11.992 -8.656 692 1HG GLU 89 HG2 GLU 89 7.367 -14.598 -8.319 693 2HG GLU 89 HG1 GLU 89 6.867 -14.634 -10.010 694 H ALA 90 HN ALA 90 4.127 -12.993 -5.925 695 HA ALA 90 HA ALA 90 6.148 -11.939 -4.146 696 1HB ALA 90 HB1 ALA 90 3.486 -12.136 -3.943 697 2HB ALA 90 HB3 ALA 90 3.930 -13.603 -3.070 698 3HB ALA 90 HB2 ALA 90 4.526 -12.035 -2.522 699 H LYS 91 HN LYS 91 7.968 -13.112 -3.708 700 HA LYS 91 HA LYS 91 7.989 -16.019 -3.836 701 1HB LYS 91 HB2 LYS 91 10.057 -14.056 -2.798 702 2HB LYS 91 HB1 LYS 91 10.336 -15.764 -3.121 703 1HG LYS 91 HG2 LYS 91 9.162 -14.776 -5.467 704 2HG LYS 91 HG1 LYS 91 10.323 -13.540 -4.980 705 1HD LYS 91 HD2 LYS 91 10.929 -16.497 -5.272 706 2HD LYS 91 HD1 LYS 91 11.386 -15.242 -6.424 707 1HE LYS 91 HE2 LYS 91 12.269 -14.339 -3.895 708 2HE LYS 91 HE1 LYS 91 12.731 -16.038 -3.998 709 1HZ LYS 91 HZ3 LYS 91 13.261 -14.927 -6.474 710 2HZ LYS 91 HZ2 LYS 91 13.843 -13.811 -5.333 711 3HZ LYS 91 HZ1 LYS 91 14.387 -15.420 -5.306 712 H LYS 92 HN LYS 92 9.923 -15.763 -1.362 713 HA LYS 92 HA LYS 92 7.843 -15.715 0.771 714 1HB LYS 92 HB2 LYS 92 9.779 -17.744 1.395 715 2HB LYS 92 HB1 LYS 92 8.035 -17.908 1.239 716 1HG LYS 92 HG2 LYS 92 8.882 -19.414 -0.357 717 2HG LYS 92 HG1 LYS 92 8.478 -18.002 -1.323 718 1HD LYS 92 HD2 LYS 92 10.883 -17.252 -1.075 719 2HD LYS 92 HD1 LYS 92 11.218 -18.795 -0.295 720 1HE LYS 92 HE2 LYS 92 10.179 -18.389 -3.113 721 2HE LYS 92 HE1 LYS 92 11.776 -18.978 -2.655 722 1HZ LYS 92 HZ1 LYS 92 10.111 -20.635 -1.318 723 2HZ LYS 92 HZ3 LYS 92 9.267 -20.379 -2.767 724 3HZ LYS 92 HZ2 LYS 92 10.853 -20.986 -2.806 725 H GLU 93 HN GLU 93 11.324 -16.512 0.598 726 HA GLU 93 HA GLU 93 12.133 -15.343 2.972 727 1HB GLU 93 HB2 GLU 93 13.736 -16.556 1.654 728 2HB GLU 93 HB1 GLU 93 13.559 -15.435 0.303 729 1HG GLU 93 HG2 GLU 93 14.659 -13.682 1.472 730 2HG GLU 93 HG1 GLU 93 14.507 -14.513 3.019 731 H ASN 94 HN ASN 94 10.852 -13.747 0.222 732 HA ASN 94 HA ASN 94 12.026 -11.135 0.939 733 1HB ASN 94 HB2 ASN 94 10.686 -12.288 -1.385 734 2HB ASN 94 HB1 ASN 94 10.063 -10.689 -0.978 735 1HD2 ASN 94 HD22 ASN 94 14.135 -10.722 -1.473 736 2HD2 ASN 94 HD21 ASN 94 13.407 -11.842 -0.425 737 H ILE 95 HN ILE 95 8.717 -12.424 0.530 738 HA ILE 95 HA ILE 95 7.276 -10.303 1.616 739 HB ILE 95 HB ILE 95 6.727 -13.237 2.160 740 1HG1 ILE 95 HG12 ILE 95 5.776 -11.503 -0.140 741 2HG1 ILE 95 HG11 ILE 95 7.098 -12.665 -0.264 742 1HG2 ILE 95 HG21 ILE 95 5.385 -10.826 2.913 743 2HG2 ILE 95 HG23 ILE 95 4.396 -11.649 1.707 744 3HG2 ILE 95 HG22 ILE 95 4.868 -12.490 3.183 745 1HD1 ILE 95 HD12 ILE 95 5.505 -14.446 0.536 746 2HD1 ILE 95 HD11 ILE 95 4.207 -13.260 0.411 747 3HD1 ILE 95 HD13 ILE 95 5.085 -13.760 -1.034 748 H ILE 96 HN ILE 96 9.312 -12.619 3.283 749 HA ILE 96 HA ILE 96 8.340 -11.972 5.942 750 HB ILE 96 HB ILE 96 10.802 -13.373 4.898 751 1HG1 ILE 96 HG12 ILE 96 8.577 -14.362 6.701 752 2HG1 ILE 96 HG11 ILE 96 8.491 -14.463 4.942 753 1HG2 ILE 96 HG23 ILE 96 10.168 -12.374 7.653 754 2HG2 ILE 96 HG22 ILE 96 10.975 -13.934 7.484 755 3HG2 ILE 96 HG21 ILE 96 11.726 -12.478 6.832 756 1HD1 ILE 96 HD11 ILE 96 10.666 -15.716 4.968 757 2HD1 ILE 96 HD13 ILE 96 10.586 -15.729 6.729 758 3HD1 ILE 96 HD12 ILE 96 9.356 -16.568 5.784 759 H ALA 97 HN ALA 97 11.444 -11.240 4.328 760 HA ALA 97 HA ALA 97 12.464 -9.414 6.172 761 1HB ALA 97 HB3 ALA 97 13.228 -10.221 3.678 762 2HB ALA 97 HB2 ALA 97 12.744 -8.557 3.355 763 3HB ALA 97 HB1 ALA 97 13.991 -8.895 4.555 764 H ALA 98 HN ALA 98 10.371 -8.637 3.394 765 HA ALA 98 HA ALA 98 10.036 -5.896 3.868 766 1HB ALA 98 HB1 ALA 98 9.041 -7.458 2.004 767 2HB ALA 98 HB3 ALA 98 7.668 -7.583 3.104 768 3HB ALA 98 HB2 ALA 98 8.156 -6.008 2.480 769 H ALA 99 HN ALA 99 8.133 -8.597 5.237 770 HA ALA 99 HA ALA 99 6.325 -7.150 6.778 771 1HB ALA 99 HB1 ALA 99 7.321 -9.837 6.719 772 2HB ALA 99 HB3 ALA 99 7.227 -9.306 8.399 773 3HB ALA 99 HB2 ALA 99 5.793 -9.250 7.375 774 H GLN 100 HN GLN 100 9.654 -8.087 7.657 775 HA GLN 100 HA GLN 100 9.747 -7.079 10.270 776 1HB GLN 100 HB2 GLN 100 11.636 -7.883 8.294 777 2HB GLN 100 HB1 GLN 100 12.164 -6.318 8.913 778 1HG GLN 100 HG2 GLN 100 13.113 -8.098 10.292 779 2HG GLN 100 HG1 GLN 100 11.931 -7.190 11.235 780 1HE2 GLN 100 HE22 GLN 100 9.785 -10.291 10.005 781 2HE2 GLN 100 HE21 GLN 100 10.073 -8.889 9.093 782 H ALA 101 HN ALA 101 9.674 -5.367 7.222 783 HA ALA 101 HA ALA 101 10.326 -2.780 8.451 784 1HB ALA 101 HB2 ALA 101 10.915 -3.280 6.072 785 2HB ALA 101 HB1 ALA 101 9.199 -3.370 5.695 786 3HB ALA 101 HB3 ALA 101 9.903 -1.845 6.227 787 H GLY 102 HN GLY 102 7.794 -2.385 6.277 788 1HA GLY 102 HA2 GLY 102 5.747 -2.301 8.410 789 2HA GLY 102 HA1 GLY 102 5.958 -0.924 7.340 790 H ALA 103 HN ALA 103 6.677 -3.566 5.572 791 HA ALA 103 HA ALA 103 4.481 -3.461 3.804 792 1HB ALA 103 HB2 ALA 103 6.779 -5.245 4.234 793 2HB ALA 103 HB1 ALA 103 5.409 -5.993 3.430 794 3HB ALA 103 HB3 ALA 103 6.155 -4.559 2.737 795 H SER 104 HN SER 104 4.115 -4.188 6.840 796 HA SER 104 HA SER 104 3.109 -6.554 7.548 797 1HB SER 104 HB2 SER 104 1.721 -3.889 7.830 798 2HB SER 104 HB1 SER 104 1.079 -5.351 8.573 799 HG SER 104 HG SER 104 2.644 -5.304 9.991 800 H GLY 105 HN GLY 105 1.562 -4.574 5.054 801 1HA GLY 105 HA2 GLY 105 -0.429 -6.773 4.653 802 2HA GLY 105 HA1 GLY 105 -0.694 -5.102 4.171 803 OH TYR 106 OH TYR 106 1.812 -12.989 -2.341 804 H TYR 106 HN TYR 106 -0.412 -7.868 2.743 805 HA TYR 106 HA TYR 106 0.934 -6.731 0.387 806 1HB TYR 106 HB2 TYR 106 2.887 -7.806 0.781 807 2HB TYR 106 HB1 TYR 106 2.185 -8.761 2.086 808 HD1 TYR 106 HD2 TYR 106 1.987 -8.487 -1.678 809 HD2 TYR 106 HD1 TYR 106 1.985 -11.063 1.766 810 HE1 TYR 106 HE2 TYR 106 1.890 -10.474 -3.147 811 HE2 TYR 106 HE1 TYR 106 1.884 -13.039 0.289 812 HH TYR 106 HH TYR 106 2.090 -13.754 -1.831 813 H VAL 107 HN VAL 107 -0.691 -7.008 -1.047 814 HA VAL 107 HA VAL 107 -2.242 -9.560 -0.977 815 HB VAL 107 HB VAL 107 -3.647 -7.578 -0.873 816 1HG1 VAL 107 HG13 VAL 107 -1.976 -6.019 -1.864 817 2HG1 VAL 107 HG12 VAL 107 -2.282 -6.733 -3.447 818 3HG1 VAL 107 HG11 VAL 107 -3.565 -5.858 -2.613 819 1HG2 VAL 107 HG22 VAL 107 -4.283 -9.553 -2.347 820 2HG2 VAL 107 HG21 VAL 107 -5.073 -8.031 -2.755 821 3HG2 VAL 107 HG23 VAL 107 -3.717 -8.610 -3.719 822 H VAL 108 HN VAL 108 -2.199 -10.911 -2.767 823 HA VAL 108 HA VAL 108 -0.073 -10.328 -4.722 824 HB VAL 108 HB VAL 108 -1.675 -12.743 -5.215 825 1HG1 VAL 108 HG13 VAL 108 1.224 -12.254 -4.490 826 2HG1 VAL 108 HG12 VAL 108 0.568 -13.799 -5.019 827 3HG1 VAL 108 HG11 VAL 108 0.568 -12.419 -6.115 828 1HG2 VAL 108 HG21 VAL 108 -0.504 -12.273 -2.464 829 2HG2 VAL 108 HG23 VAL 108 -2.150 -12.753 -2.868 830 3HG2 VAL 108 HG22 VAL 108 -0.818 -13.883 -3.106 831 H LYS 109 HN LYS 109 -0.811 -8.912 -6.312 832 HA LYS 109 HA LYS 109 -3.557 -8.825 -7.179 833 1HB LYS 109 HB2 LYS 109 -2.880 -6.877 -8.106 834 2HB LYS 109 HB1 LYS 109 -1.299 -7.214 -7.423 835 1HG LYS 109 HG2 LYS 109 -0.690 -8.450 -9.516 836 2HG LYS 109 HG1 LYS 109 -2.242 -7.961 -10.210 837 1HD LYS 109 HD2 LYS 109 -1.619 -5.582 -9.828 838 2HD LYS 109 HD1 LYS 109 -0.041 -6.115 -9.249 839 1HE LYS 109 HE2 LYS 109 0.487 -5.763 -11.467 840 2HE LYS 109 HE1 LYS 109 -0.055 -7.438 -11.571 841 1HZ LYS 109 HZ3 LYS 109 -2.334 -6.479 -11.996 842 2HZ LYS 109 HZ2 LYS 109 -1.567 -4.983 -12.233 843 3HZ LYS 109 HZ1 LYS 109 -1.201 -6.297 -13.245 844 HA PRO 110 HA PRO 110 -4.411 -8.066 -9.360 845 1HB PRO 110 HB2 PRO 110 -6.442 -9.615 -10.662 846 2HB PRO 110 HB1 PRO 110 -5.429 -8.352 -11.374 847 1HG PRO 110 HG2 PRO 110 -5.310 -11.142 -11.934 848 2HG PRO 110 HG1 PRO 110 -4.178 -9.900 -12.489 849 1HD PRO 110 HD2 PRO 110 -3.813 -11.919 -10.384 850 2HD PRO 110 HD1 PRO 110 -2.595 -10.905 -11.185 851 H PHE 111 HN PHE 111 -6.665 -7.795 -8.435 852 HA PHE 111 HA PHE 111 -7.639 -10.105 -6.840 853 1HB PHE 111 HB2 PHE 111 -7.966 -8.479 -4.876 854 2HB PHE 111 HB1 PHE 111 -6.321 -9.021 -5.172 855 HD1 PHE 111 HD2 PHE 111 -8.720 -6.229 -6.006 856 HD2 PHE 111 HD1 PHE 111 -4.643 -7.460 -5.473 857 HE1 PHE 111 HE2 PHE 111 -7.946 -3.901 -6.325 858 HE2 PHE 111 HE1 PHE 111 -3.881 -5.136 -5.770 859 HZ PHE 111 HZ PHE 111 -5.537 -3.347 -6.204 860 H THR 112 HN THR 112 -9.611 -8.960 -5.480 861 HA THR 112 HA THR 112 -11.237 -7.350 -7.380 862 HB THR 112 HB THR 112 -12.632 -9.469 -5.810 863 HG1 THR 112 HG1 THR 112 -11.295 -10.047 -8.238 864 1HG2 THR 112 HG21 THR 112 -13.712 -7.769 -7.357 865 2HG2 THR 112 HG23 THR 112 -12.934 -8.616 -8.694 866 3HG2 THR 112 HG22 THR 112 -14.118 -9.453 -7.689 867 H ALA 113 HN ALA 113 -12.764 -5.987 -6.211 868 HA ALA 113 HA ALA 113 -11.863 -4.925 -3.802 869 1HB ALA 113 HB2 ALA 113 -13.959 -4.331 -5.433 870 2HB ALA 113 HB1 ALA 113 -14.824 -5.027 -4.063 871 3HB ALA 113 HB3 ALA 113 -13.767 -3.636 -3.823 872 H ALA 114 HN ALA 114 -13.906 -7.758 -4.271 873 HA ALA 114 HA ALA 114 -14.442 -8.033 -1.423 874 1HB ALA 114 HB2 ALA 114 -14.726 -9.925 -3.775 875 2HB ALA 114 HB1 ALA 114 -15.125 -10.396 -2.123 876 3HB ALA 114 HB3 ALA 114 -16.015 -9.090 -2.907 877 H THR 115 HN THR 115 -11.971 -9.085 -3.679 878 HA THR 115 HA THR 115 -10.760 -10.895 -1.728 879 HB THR 115 HB THR 115 -8.859 -10.206 -3.710 880 HG1 THR 115 HG1 THR 115 -11.075 -9.445 -4.605 881 1HG2 THR 115 HG21 THR 115 -10.754 -12.553 -3.480 882 2HG2 THR 115 HG23 THR 115 -9.281 -12.522 -4.449 883 3HG2 THR 115 HG22 THR 115 -9.183 -12.415 -2.692 884 H LEU 116 HN LEU 116 -9.562 -7.778 -3.262 885 HA LEU 116 HA LEU 116 -7.495 -7.379 -1.416 886 1HB LEU 116 HB2 LEU 116 -8.842 -5.788 -3.351 887 2HB LEU 116 HB1 LEU 116 -8.867 -4.862 -1.855 888 HG LEU 116 HG LEU 116 -6.447 -5.899 -3.359 889 1HD1 LEU 116 HD13 LEU 116 -7.627 -3.636 -3.816 890 2HD1 LEU 116 HD12 LEU 116 -6.951 -3.133 -2.276 891 3HD1 LEU 116 HD11 LEU 116 -5.884 -3.622 -3.591 892 1HD2 LEU 116 HD23 LEU 116 -6.768 -5.336 -0.483 893 2HD2 LEU 116 HD22 LEU 116 -5.487 -6.209 -1.324 894 3HD2 LEU 116 HD21 LEU 116 -5.456 -4.450 -1.256 895 H GLU 117 HN GLU 117 -10.984 -6.924 -0.993 896 HA GLU 117 HA GLU 117 -10.876 -5.467 1.450 897 1HB GLU 117 HB2 GLU 117 -12.984 -5.528 0.372 898 2HB GLU 117 HB1 GLU 117 -12.945 -7.286 0.230 899 1HG GLU 117 HG2 GLU 117 -14.450 -6.268 2.070 900 2HG GLU 117 HG1 GLU 117 -13.389 -7.600 2.529 901 H GLU 118 HN GLU 118 -11.448 -8.950 0.935 902 HA GLU 118 HA GLU 118 -11.491 -9.865 3.544 903 1HB GLU 118 HB2 GLU 118 -10.930 -11.008 0.973 904 2HB GLU 118 HB1 GLU 118 -9.779 -11.656 2.142 905 1HG GLU 118 HG2 GLU 118 -11.593 -12.326 3.623 906 2HG GLU 118 HG1 GLU 118 -12.781 -11.574 2.559 907 H LYS 119 HN LYS 119 -8.652 -8.869 1.685 908 HA LYS 119 HA LYS 119 -6.712 -9.720 3.637 909 1HB LYS 119 HB2 LYS 119 -6.731 -8.276 1.126 910 2HB LYS 119 HB1 LYS 119 -5.675 -7.473 2.288 911 1HG LYS 119 HG2 LYS 119 -4.405 -9.157 1.049 912 2HG LYS 119 HG1 LYS 119 -4.549 -9.644 2.736 913 1HD LYS 119 HD2 LYS 119 -5.447 -11.592 2.046 914 2HD LYS 119 HD1 LYS 119 -6.829 -10.694 1.423 915 1HE LYS 119 HE2 LYS 119 -5.717 -10.385 -0.720 916 2HE LYS 119 HE1 LYS 119 -4.260 -11.173 -0.113 917 1HZ LYS 119 HZ1 LYS 119 -6.710 -12.688 0.186 918 2HZ LYS 119 HZ3 LYS 119 -6.214 -12.440 -1.417 919 3HZ LYS 119 HZ2 LYS 119 -5.168 -13.197 -0.313 920 H LEU 120 HN LEU 120 -8.383 -6.615 3.068 921 HA LEU 120 HA LEU 120 -7.074 -5.082 5.053 922 1HB LEU 120 HB2 LEU 120 -9.997 -5.027 4.227 923 2HB LEU 120 HB1 LEU 120 -9.229 -3.788 5.197 924 HG LEU 120 HG LEU 120 -8.805 -4.432 2.280 925 1HD1 LEU 120 HD13 LEU 120 -10.468 -2.701 3.329 926 2HD1 LEU 120 HD12 LEU 120 -9.020 -1.729 3.586 927 3HD1 LEU 120 HD11 LEU 120 -9.480 -2.210 1.954 928 1HD2 LEU 120 HD23 LEU 120 -6.919 -2.976 4.148 929 2HD2 LEU 120 HD22 LEU 120 -6.530 -4.244 2.983 930 3HD2 LEU 120 HD21 LEU 120 -6.966 -2.632 2.423 931 H ASN 121 HN ASN 121 -10.228 -6.710 5.479 932 HA ASN 121 HA ASN 121 -10.537 -6.395 8.205 933 1HB ASN 121 HB2 ASN 121 -11.958 -7.726 6.431 934 2HB ASN 121 HB1 ASN 121 -11.062 -9.112 7.054 935 1HD2 ASN 121 HD22 ASN 121 -12.543 -8.879 10.341 936 2HD2 ASN 121 HD21 ASN 121 -11.099 -9.306 9.558 937 H LYS 122 HN LYS 122 -8.712 -9.045 6.675 938 HA LYS 122 HA LYS 122 -7.909 -10.349 9.048 939 1HB LYS 122 HB2 LYS 122 -6.572 -10.102 6.350 940 2HB LYS 122 HB1 LYS 122 -5.916 -11.109 7.641 941 1HG LYS 122 HG2 LYS 122 -8.110 -12.301 7.767 942 2HG LYS 122 HG1 LYS 122 -8.663 -11.359 6.383 943 1HD LYS 122 HD2 LYS 122 -6.977 -12.310 4.957 944 2HD LYS 122 HD1 LYS 122 -6.165 -13.069 6.329 945 1HE LYS 122 HE2 LYS 122 -9.017 -13.711 5.542 946 2HE LYS 122 HE1 LYS 122 -7.628 -14.626 4.955 947 1HZ LYS 122 HZ3 LYS 122 -7.045 -14.742 7.462 948 2HZ LYS 122 HZ2 LYS 122 -8.698 -14.420 7.684 949 3HZ LYS 122 HZ1 LYS 122 -8.207 -15.797 6.820 950 H ILE 123 HN ILE 123 -6.623 -7.427 7.559 951 HA ILE 123 HA ILE 123 -4.292 -7.450 9.370 952 HB ILE 123 HB ILE 123 -5.203 -5.693 7.112 953 1HG1 ILE 123 HG12 ILE 123 -2.572 -7.071 7.754 954 2HG1 ILE 123 HG11 ILE 123 -3.837 -7.767 6.744 955 1HG2 ILE 123 HG22 ILE 123 -3.276 -5.017 9.336 956 2HG2 ILE 123 HG21 ILE 123 -3.042 -4.347 7.725 957 3HG2 ILE 123 HG23 ILE 123 -4.522 -4.002 8.612 958 1HD1 ILE 123 HD12 ILE 123 -3.508 -5.292 5.592 959 2HD1 ILE 123 HD11 ILE 123 -1.868 -5.669 6.113 960 3HD1 ILE 123 HD13 ILE 123 -2.725 -6.768 5.032 961 H PHE 124 HN PHE 124 -7.216 -5.449 8.867 962 HA PHE 124 HA PHE 124 -6.641 -3.554 10.877 963 1HB PHE 124 HB2 PHE 124 -9.178 -4.533 9.618 964 2HB PHE 124 HB1 PHE 124 -9.238 -3.389 10.961 965 HD1 PHE 124 HD2 PHE 124 -7.777 -1.266 10.802 966 HD2 PHE 124 HD1 PHE 124 -8.674 -3.788 7.449 967 HE1 PHE 124 HE2 PHE 124 -7.146 0.569 9.256 968 HE2 PHE 124 HE1 PHE 124 -8.039 -1.954 5.908 969 HZ PHE 124 HZ PHE 124 -7.285 0.210 6.792 970 H GLU 125 HN GLU 125 -7.243 -6.858 11.270 971 HA GLU 125 HA GLU 125 -8.628 -6.733 13.811 972 1HB GLU 125 HB2 GLU 125 -7.822 -8.775 12.069 973 2HB GLU 125 HB1 GLU 125 -6.853 -9.033 13.520 974 1HG GLU 125 HG2 GLU 125 -9.867 -8.697 13.465 975 2HG GLU 125 HG1 GLU 125 -9.015 -10.229 13.662 976 H LYS 126 HN LYS 126 -5.405 -6.200 12.746 977 HA LYS 126 HA LYS 126 -4.310 -6.414 15.498 978 1HB LYS 126 HB2 LYS 126 -2.953 -5.773 12.856 979 2HB LYS 126 HB1 LYS 126 -2.129 -5.979 14.403 980 1HG LYS 126 HG2 LYS 126 -2.652 -8.281 14.511 981 2HG LYS 126 HG1 LYS 126 -3.923 -8.137 13.296 982 1HD LYS 126 HD2 LYS 126 -2.202 -7.600 11.587 983 2HD LYS 126 HD1 LYS 126 -0.947 -7.827 12.806 984 1HE LYS 126 HE2 LYS 126 -1.753 -10.162 13.151 985 2HE LYS 126 HE1 LYS 126 -2.918 -9.924 11.848 986 1HZ LYS 126 HZ2 LYS 126 -0.401 -9.107 10.941 987 2HZ LYS 126 HZ1 LYS 126 -0.222 -10.642 11.649 988 3HZ LYS 126 HZ3 LYS 126 -1.342 -10.412 10.396 989 H LEU 127 HN LEU 127 -5.177 -4.087 13.009 990 HA LEU 127 HA LEU 127 -4.037 -1.818 14.462 991 1HB LEU 127 HB2 LEU 127 -4.975 -2.264 11.831 992 2HB LEU 127 HB1 LEU 127 -6.088 -1.089 12.527 993 HG LEU 127 HG LEU 127 -4.211 0.061 11.454 994 1HD1 LEU 127 HD12 LEU 127 -5.170 0.586 13.942 995 2HD1 LEU 127 HD11 LEU 127 -3.449 0.429 14.292 996 3HD1 LEU 127 HD13 LEU 127 -4.006 1.612 13.110 997 1HD2 LEU 127 HD23 LEU 127 -2.722 -2.103 12.498 998 2HD2 LEU 127 HD22 LEU 127 -2.112 -0.752 11.543 999 3HD2 LEU 127 HD21 LEU 127 -2.111 -0.659 13.304 1000 H GLY 128 HN GLY 128 -7.007 -3.612 14.434 1001 1HA GLY 128 HA2 GLY 128 -9.052 -3.252 15.544 1002 2HA GLY 128 HA1 GLY 128 -8.020 -2.612 16.824 1003 H MET 129 HN MET 129 -9.973 -1.761 14.033 1004 HA MET 129 HA MET 129 -9.516 1.123 14.479 1005 1HB MET 129 HB2 MET 129 -11.506 1.004 12.621 1006 2HB MET 129 HB1 MET 129 -9.790 0.929 12.218 1007 1HG MET 129 HG2 MET 129 -11.156 -0.915 11.186 1008 2HG MET 129 HG1 MET 129 -9.834 -1.490 12.201 1009 1HE MET 129 HE2 MET 129 -11.788 -3.450 11.436 1010 2HE MET 129 HE1 MET 129 -10.714 -3.862 12.771 1011 3HE MET 129 HE3 MET 129 -12.448 -4.194 12.890 Start of MODEL 16 Raw file had 1011 H/Q atoms Start of MODEL 16 1 H ALA 2 HN ALA 2 -14.031 0.273 6.822 2 HA ALA 2 HA ALA 2 -12.990 0.543 9.581 3 1HB ALA 2 HB3 ALA 2 -11.361 -0.296 7.400 4 2HB ALA 2 HB2 ALA 2 -10.910 1.365 7.781 5 3HB ALA 2 HB1 ALA 2 -10.846 0.124 9.033 6 H ASP 3 HN ASP 3 -11.494 2.834 9.269 7 HA ASP 3 HA ASP 3 -13.330 4.919 9.226 8 1HB ASP 3 HB2 ASP 3 -10.391 4.761 8.699 9 2HB ASP 3 HB1 ASP 3 -11.215 6.276 8.329 10 H LYS 4 HN LYS 4 -14.777 5.296 7.606 11 HA LYS 4 HA LYS 4 -14.510 4.571 4.894 12 1HB LYS 4 HB2 LYS 4 -16.149 6.763 6.179 13 2HB LYS 4 HB1 LYS 4 -16.301 6.311 4.486 14 1HG LYS 4 HG2 LYS 4 -16.400 3.922 6.075 15 2HG LYS 4 HG1 LYS 4 -17.550 5.087 6.730 16 1HD LYS 4 HD2 LYS 4 -18.487 5.424 4.460 17 2HD LYS 4 HD1 LYS 4 -17.368 4.216 3.832 18 1HE LYS 4 HE2 LYS 4 -19.028 2.733 4.258 19 2HE LYS 4 HE1 LYS 4 -18.523 2.881 5.942 20 1HZ LYS 4 HZ3 LYS 4 -20.090 4.972 5.810 21 2HZ LYS 4 HZ2 LYS 4 -20.821 4.062 4.574 22 3HZ LYS 4 HZ1 LYS 4 -20.704 3.426 6.145 23 H GLU 5 HN GLU 5 -12.453 6.597 6.352 24 HA GLU 5 HA GLU 5 -11.916 8.050 3.822 25 1HB GLU 5 HB2 GLU 5 -12.308 9.269 6.560 26 2HB GLU 5 HB1 GLU 5 -11.325 10.068 5.334 27 1HG GLU 5 HG2 GLU 5 -13.160 10.321 3.862 28 2HG GLU 5 HG1 GLU 5 -14.134 9.142 4.739 29 H LEU 6 HN LEU 6 -10.535 5.739 4.737 30 HA LEU 6 HA LEU 6 -8.264 6.635 6.308 31 1HB LEU 6 HB2 LEU 6 -9.052 4.266 6.319 32 2HB LEU 6 HB1 LEU 6 -8.528 4.121 4.643 33 HG LEU 6 HG LEU 6 -6.213 4.670 5.321 34 1HD1 LEU 6 HD12 LEU 6 -7.569 5.089 7.938 35 2HD1 LEU 6 HD11 LEU 6 -5.961 4.364 7.968 36 3HD1 LEU 6 HD13 LEU 6 -6.202 5.948 7.229 37 1HD2 LEU 6 HD21 LEU 6 -7.717 2.350 6.418 38 2HD2 LEU 6 HD23 LEU 6 -6.356 2.381 5.296 39 3HD2 LEU 6 HD22 LEU 6 -6.080 2.600 7.025 40 H LYS 7 HN LYS 7 -6.914 8.114 5.385 41 HA LYS 7 HA LYS 7 -6.632 8.740 2.695 42 1HB LYS 7 HB2 LYS 7 -4.918 9.061 5.096 43 2HB LYS 7 HB1 LYS 7 -4.135 9.288 3.538 44 1HG LYS 7 HG2 LYS 7 -5.670 11.011 2.905 45 2HG LYS 7 HG1 LYS 7 -6.734 10.647 4.264 46 1HD LYS 7 HD2 LYS 7 -4.972 11.348 5.841 47 2HD LYS 7 HD1 LYS 7 -3.904 11.712 4.486 48 1HE LYS 7 HE2 LYS 7 -6.216 13.092 3.839 49 2HE LYS 7 HE1 LYS 7 -6.111 13.291 5.588 50 1HZ LYS 7 HZ2 LYS 7 -3.806 14.016 5.306 51 2HZ LYS 7 HZ1 LYS 7 -3.971 13.893 3.620 52 3HZ LYS 7 HZ3 LYS 7 -4.891 15.029 4.480 53 H PHE 8 HN PHE 8 -6.133 7.408 1.018 54 HA PHE 8 HA PHE 8 -4.097 5.271 1.424 55 1HB PHE 8 HB2 PHE 8 -6.249 5.679 -0.671 56 2HB PHE 8 HB1 PHE 8 -4.963 4.505 -0.863 57 HD1 PHE 8 HD2 PHE 8 -7.950 5.421 1.050 58 HD2 PHE 8 HD1 PHE 8 -4.902 2.466 0.476 59 HE1 PHE 8 HE2 PHE 8 -9.229 3.825 2.443 60 HE2 PHE 8 HE1 PHE 8 -6.215 0.852 1.851 61 HZ PHE 8 HZ PHE 8 -8.371 1.543 2.838 62 H LEU 9 HN LEU 9 -2.429 5.065 -0.228 63 HA LEU 9 HA LEU 9 -2.093 7.475 -1.962 64 1HB LEU 9 HB2 LEU 9 -0.585 7.737 -0.023 65 2HB LEU 9 HB1 LEU 9 0.097 6.149 -0.337 66 HG LEU 9 HG LEU 9 0.903 6.899 -2.526 67 1HD1 LEU 9 HD12 LEU 9 -0.669 9.331 -1.780 68 2HD1 LEU 9 HD11 LEU 9 0.792 9.545 -2.743 69 3HD1 LEU 9 HD13 LEU 9 -0.520 8.532 -3.345 70 1HD2 LEU 9 HD22 LEU 9 1.625 8.722 -0.224 71 2HD2 LEU 9 HD21 LEU 9 2.394 7.188 -0.632 72 3HD2 LEU 9 HD23 LEU 9 2.564 8.574 -1.709 73 H VAL 10 HN VAL 10 -2.504 6.531 -3.907 74 HA VAL 10 HA VAL 10 -1.429 3.840 -4.479 75 HB VAL 10 HB VAL 10 -2.723 5.241 -6.699 76 1HG1 VAL 10 HG11 VAL 10 -3.407 2.747 -5.111 77 2HG1 VAL 10 HG13 VAL 10 -4.112 3.205 -6.661 78 3HG1 VAL 10 HG12 VAL 10 -2.399 2.796 -6.559 79 1HG2 VAL 10 HG21 VAL 10 -4.150 4.976 -4.036 80 2HG2 VAL 10 HG23 VAL 10 -3.938 6.438 -4.997 81 3HG2 VAL 10 HG22 VAL 10 -4.995 5.154 -5.574 82 H VAL 11 HN VAL 11 0.703 3.855 -5.018 83 HA VAL 11 HA VAL 11 1.707 5.975 -6.813 84 HB VAL 11 HB VAL 11 3.242 4.071 -5.033 85 1HG1 VAL 11 HG12 VAL 11 4.017 6.119 -7.053 86 2HG1 VAL 11 HG11 VAL 11 4.943 6.097 -5.551 87 3HG1 VAL 11 HG13 VAL 11 4.860 4.653 -6.556 88 1HG2 VAL 11 HG21 VAL 11 1.931 6.651 -4.580 89 2HG2 VAL 11 HG23 VAL 11 2.557 5.494 -3.406 90 3HG2 VAL 11 HG22 VAL 11 3.640 6.669 -4.151 91 H ASP 12 HN ASP 12 1.477 5.250 -8.894 92 HA ASP 12 HA ASP 12 2.753 2.647 -9.567 93 1HB ASP 12 HB2 ASP 12 0.384 3.124 -11.187 94 2HB ASP 12 HB1 ASP 12 0.841 1.681 -10.282 95 H ASP 13 HN ASP 13 2.138 2.696 -12.307 96 HA ASP 13 HA ASP 13 2.948 5.361 -13.305 97 1HB ASP 13 HB2 ASP 13 4.580 2.971 -14.139 98 2HB ASP 13 HB1 ASP 13 4.986 4.684 -14.256 99 H PHE 14 HN PHE 14 0.981 2.783 -13.558 100 HA PHE 14 HA PHE 14 1.009 2.546 -16.501 101 1HB PHE 14 HB2 PHE 14 0.173 0.885 -14.373 102 2HB PHE 14 HB1 PHE 14 -1.293 1.332 -15.246 103 HD1 PHE 14 HD2 PHE 14 -1.428 0.948 -17.731 104 HD2 PHE 14 HD1 PHE 14 1.784 -0.594 -15.333 105 HE1 PHE 14 HE2 PHE 14 -0.838 -0.640 -19.543 106 HE2 PHE 14 HE1 PHE 14 2.375 -2.181 -17.145 107 HZ PHE 14 HZ PHE 14 1.064 -2.204 -19.250 108 H SER 15 HN SER 15 -1.115 2.858 -17.672 109 HA SER 15 HA SER 15 -2.362 5.392 -16.745 110 1HB SER 15 HB2 SER 15 -1.402 5.138 -19.087 111 2HB SER 15 HB1 SER 15 -2.718 4.016 -19.417 112 HG SER 15 HG SER 15 -3.104 6.633 -18.396 113 H THR 16 HN THR 16 -2.969 2.303 -16.124 114 HA THR 16 HA THR 16 -5.881 2.776 -15.950 115 HB THR 16 HB THR 16 -5.661 1.664 -18.116 116 HG1 THR 16 HG1 THR 16 -6.486 -0.560 -16.969 117 1HG2 THR 16 HG22 THR 16 -3.515 0.342 -16.822 118 2HG2 THR 16 HG21 THR 16 -4.687 -0.900 -17.259 119 3HG2 THR 16 HG23 THR 16 -4.032 0.167 -18.499 120 H MET 17 HN MET 17 -3.194 2.050 -14.384 121 HA MET 17 HA MET 17 -4.211 -0.275 -12.858 122 1HB MET 17 HB2 MET 17 -1.847 -0.329 -13.323 123 2HB MET 17 HB1 MET 17 -1.635 1.314 -12.715 124 1HG MET 17 HG2 MET 17 -1.957 0.663 -10.479 125 2HG MET 17 HG1 MET 17 -2.763 -0.838 -10.935 126 1HE MET 17 HE3 MET 17 -0.797 -0.684 -8.784 127 2HE MET 17 HE2 MET 17 -1.175 -2.333 -9.275 128 3HE MET 17 HE1 MET 17 0.504 -1.852 -9.051 129 NH1 ARG 18 NH1 ARG 18 -1.387 6.688 -12.689 130 NH2 ARG 18 NH2 ARG 18 -1.957 8.260 -14.211 131 H ARG 18 HN ARG 18 -3.295 3.132 -12.272 132 HA ARG 18 HA ARG 18 -4.066 3.181 -9.523 133 1HB ARG 18 HB2 ARG 18 -3.537 5.393 -9.625 134 2HB ARG 18 HB1 ARG 18 -2.910 4.964 -11.204 135 1HG ARG 18 HG2 ARG 18 -5.187 5.525 -12.170 136 2HG ARG 18 HG1 ARG 18 -5.590 6.212 -10.590 137 1HD ARG 18 HD2 ARG 18 -4.736 8.104 -11.562 138 2HD ARG 18 HD1 ARG 18 -3.219 7.415 -10.984 139 HE ARG 18 HE ARG 18 -4.190 6.957 -13.778 140 1HH1 ARG 18 HH11 ARG 18 -1.653 6.009 -12.005 141 2HH1 ARG 18 HH12 ARG 18 -0.421 6.843 -12.891 142 1HH2 ARG 18 HH21 ARG 18 -2.659 8.785 -14.692 143 2HH2 ARG 18 HH22 ARG 18 -0.990 8.413 -14.413 144 NH1 ARG 19 NH1 ARG 19 -11.322 2.086 -16.087 145 NH2 ARG 19 NH2 ARG 19 -9.165 1.485 -16.384 146 H ARG 19 HN ARG 19 -5.883 3.421 -12.495 147 HA ARG 19 HA ARG 19 -8.207 4.565 -11.323 148 1HB ARG 19 HB2 ARG 19 -7.924 4.624 -13.732 149 2HB ARG 19 HB1 ARG 19 -7.889 2.862 -13.808 150 1HG ARG 19 HG2 ARG 19 -10.170 2.660 -13.400 151 2HG ARG 19 HG1 ARG 19 -10.262 4.211 -12.568 152 1HD ARG 19 HD2 ARG 19 -11.338 4.351 -14.778 153 2HD ARG 19 HD1 ARG 19 -9.908 5.382 -14.717 154 HE ARG 19 HE ARG 19 -9.017 4.059 -16.440 155 1HH1 ARG 19 HH11 ARG 19 -12.006 2.786 -15.877 156 2HH1 ARG 19 HH12 ARG 19 -11.611 1.147 -16.276 157 1HH2 ARG 19 HH21 ARG 19 -8.194 1.724 -16.403 158 2HH2 ARG 19 HH22 ARG 19 -9.452 0.546 -16.573 159 H ILE 20 HN ILE 20 -7.458 1.182 -12.191 160 HA ILE 20 HA ILE 20 -9.750 -0.104 -11.303 161 HB ILE 20 HB ILE 20 -6.875 -0.829 -11.465 162 1HG1 ILE 20 HG12 ILE 20 -9.341 -2.395 -12.243 163 2HG1 ILE 20 HG11 ILE 20 -8.682 -1.105 -13.251 164 1HG2 ILE 20 HG22 ILE 20 -8.846 -2.340 -9.729 165 2HG2 ILE 20 HG21 ILE 20 -7.441 -3.111 -10.458 166 3HG2 ILE 20 HG23 ILE 20 -7.219 -1.797 -9.306 167 1HD1 ILE 20 HD12 ILE 20 -6.843 -3.257 -12.262 168 2HD1 ILE 20 HD11 ILE 20 -7.906 -3.601 -13.627 169 3HD1 ILE 20 HD13 ILE 20 -6.736 -2.285 -13.730 170 H VAL 21 HN VAL 21 -6.897 0.593 -9.266 171 HA VAL 21 HA VAL 21 -8.076 -0.292 -6.844 172 HB VAL 21 HB VAL 21 -6.270 1.842 -6.266 173 1HG1 VAL 21 HG13 VAL 21 -5.959 -1.173 -6.352 174 2HG1 VAL 21 HG12 VAL 21 -4.869 -0.067 -5.516 175 3HG1 VAL 21 HG11 VAL 21 -6.541 -0.233 -4.979 176 1HG2 VAL 21 HG23 VAL 21 -5.387 -0.021 -8.497 177 2HG2 VAL 21 HG22 VAL 21 -5.638 1.717 -8.651 178 3HG2 VAL 21 HG21 VAL 21 -4.340 1.101 -7.628 179 NH1 ARG 22 NH2 ARG 22 -8.099 8.428 -11.365 180 NH2 ARG 22 NH1 ARG 22 -8.789 6.598 -12.498 181 H ARG 22 HN ARG 22 -7.995 2.971 -8.279 182 HA ARG 22 HA ARG 22 -9.108 4.483 -6.225 183 1HB ARG 22 HB2 ARG 22 -9.083 4.611 -9.151 184 2HB ARG 22 HB1 ARG 22 -10.508 5.376 -8.452 185 1HG ARG 22 HG2 ARG 22 -9.012 6.685 -6.933 186 2HG ARG 22 HG1 ARG 22 -7.617 5.981 -7.754 187 1HD ARG 22 HD2 ARG 22 -9.518 8.064 -8.690 188 2HD ARG 22 HD1 ARG 22 -7.801 7.868 -9.040 189 HE ARG 22 HE ARG 22 -9.635 5.909 -10.284 190 1HH1 ARG 22 HH21 ARG 22 -8.000 8.927 -10.505 191 2HH1 ARG 22 HH22 ARG 22 -7.770 8.832 -12.218 192 1HH2 ARG 22 HH11 ARG 22 -9.220 5.695 -12.506 193 2HH2 ARG 22 HH12 ARG 22 -8.461 7.002 -13.352 194 H ASN 23 HN ASN 23 -10.993 2.712 -8.702 195 HA ASN 23 HA ASN 23 -13.546 3.148 -7.503 196 1HB ASN 23 HB2 ASN 23 -12.492 2.004 -9.794 197 2HB ASN 23 HB1 ASN 23 -13.172 0.644 -8.942 198 1HD2 ASN 23 HD22 ASN 23 -15.664 3.111 -10.861 199 2HD2 ASN 23 HD21 ASN 23 -13.985 3.086 -11.108 200 H LEU 24 HN LEU 24 -11.450 0.316 -7.604 201 HA LEU 24 HA LEU 24 -12.727 -1.524 -6.037 202 1HB LEU 24 HB2 LEU 24 -10.342 -1.498 -7.071 203 2HB LEU 24 HB1 LEU 24 -9.853 -0.833 -5.524 204 HG LEU 24 HG LEU 24 -11.484 -3.108 -4.964 205 1HD1 LEU 24 HD13 LEU 24 -9.366 -3.609 -7.079 206 2HD1 LEU 24 HD12 LEU 24 -10.134 -4.874 -6.123 207 3HD1 LEU 24 HD11 LEU 24 -11.097 -3.902 -7.234 208 1HD2 LEU 24 HD21 LEU 24 -8.564 -2.415 -4.672 209 2HD2 LEU 24 HD23 LEU 24 -9.780 -2.675 -3.423 210 3HD2 LEU 24 HD22 LEU 24 -9.121 -4.041 -4.314 211 H LEU 25 HN LEU 25 -10.577 1.010 -4.668 212 HA LEU 25 HA LEU 25 -11.190 0.448 -1.946 213 1HB LEU 25 HB2 LEU 25 -10.214 2.924 -3.371 214 2HB LEU 25 HB1 LEU 25 -10.552 2.960 -1.649 215 HG LEU 25 HG LEU 25 -8.659 1.003 -2.988 216 1HD1 LEU 25 HD11 LEU 25 -7.866 3.360 -3.062 217 2HD1 LEU 25 HD13 LEU 25 -8.061 3.459 -1.311 218 3HD1 LEU 25 HD12 LEU 25 -6.872 2.357 -2.006 219 1HD2 LEU 25 HD21 LEU 25 -9.688 1.368 -0.213 220 2HD2 LEU 25 HD23 LEU 25 -9.120 -0.094 -1.019 221 3HD2 LEU 25 HD22 LEU 25 -7.961 1.062 -0.371 222 H LYS 26 HN LYS 26 -12.605 2.880 -4.153 223 HA LYS 26 HA LYS 26 -14.480 3.970 -2.396 224 1HB LYS 26 HB2 LYS 26 -14.255 4.944 -4.577 225 2HB LYS 26 HB1 LYS 26 -14.672 3.422 -5.366 226 1HG LYS 26 HG2 LYS 26 -16.940 3.569 -4.715 227 2HG LYS 26 HG1 LYS 26 -16.596 4.786 -3.486 228 1HD LYS 26 HD2 LYS 26 -15.990 6.401 -5.259 229 2HD LYS 26 HD1 LYS 26 -16.360 5.187 -6.484 230 1HE LYS 26 HE2 LYS 26 -18.621 5.239 -4.829 231 2HE LYS 26 HE1 LYS 26 -18.172 6.932 -5.031 232 1HZ LYS 26 HZ3 LYS 26 -17.970 6.372 -7.481 233 2HZ LYS 26 HZ2 LYS 26 -18.813 4.942 -7.121 234 3HZ LYS 26 HZ1 LYS 26 -19.537 6.453 -6.841 235 H GLU 27 HN GLU 27 -14.562 0.901 -4.138 236 HA GLU 27 HA GLU 27 -17.270 0.230 -3.718 237 1HB GLU 27 HB2 GLU 27 -15.110 -1.022 -4.856 238 2HB GLU 27 HB1 GLU 27 -15.375 -2.003 -3.414 239 1HG GLU 27 HG2 GLU 27 -17.757 -2.257 -4.031 240 2HG GLU 27 HG1 GLU 27 -17.476 -1.303 -5.486 241 H LEU 28 HN LEU 28 -14.521 0.165 -1.539 242 HA LEU 28 HA LEU 28 -16.027 -1.311 0.517 243 1HB LEU 28 HB2 LEU 28 -13.237 -0.219 0.290 244 2HB LEU 28 HB1 LEU 28 -13.883 -0.640 1.877 245 HG LEU 28 HG LEU 28 -14.289 -2.640 -0.290 246 1HD1 LEU 28 HD12 LEU 28 -11.590 -2.039 0.948 247 2HD1 LEU 28 HD11 LEU 28 -11.980 -3.553 0.135 248 3HD1 LEU 28 HD13 LEU 28 -11.999 -2.037 -0.768 249 1HD2 LEU 28 HD22 LEU 28 -15.054 -2.982 2.045 250 2HD2 LEU 28 HD21 LEU 28 -13.843 -4.177 1.581 251 3HD2 LEU 28 HD23 LEU 28 -13.390 -2.816 2.605 252 H GLY 29 HN GLY 29 -15.652 1.941 -0.464 253 1HA GLY 29 HA2 GLY 29 -17.084 3.656 0.444 254 2HA GLY 29 HA1 GLY 29 -17.041 2.816 1.978 255 H PHE 30 HN PHE 30 -14.354 3.858 -0.136 256 HA PHE 30 HA PHE 30 -13.317 5.480 2.172 257 1HB PHE 30 HB2 PHE 30 -11.822 3.987 0.006 258 2HB PHE 30 HB1 PHE 30 -11.056 5.115 1.111 259 HD1 PHE 30 HD2 PHE 30 -11.581 4.652 3.730 260 HD2 PHE 30 HD1 PHE 30 -11.861 1.748 0.569 261 HE1 PHE 30 HE2 PHE 30 -11.357 2.794 5.375 262 HE2 PHE 30 HE1 PHE 30 -11.639 -0.079 2.217 263 HZ PHE 30 HZ PHE 30 -11.389 0.447 4.621 264 H ASN 31 HN ASN 31 -13.111 7.658 1.739 265 HA ASN 31 HA ASN 31 -13.011 8.517 -1.122 266 1HB ASN 31 HB2 ASN 31 -14.292 10.594 0.041 267 2HB ASN 31 HB1 ASN 31 -15.138 9.236 -0.690 268 1HD2 ASN 31 HD22 ASN 31 -16.761 8.913 2.447 269 2HD2 ASN 31 HD21 ASN 31 -16.938 9.343 0.814 270 H ASN 32 HN ASN 32 -10.626 8.390 -0.343 271 HA ASN 32 HA ASN 32 -9.636 11.060 -0.006 272 1HB ASN 32 HB2 ASN 32 -10.467 10.249 2.394 273 2HB ASN 32 HB1 ASN 32 -8.924 9.401 2.391 274 1HD2 ASN 32 HD22 ASN 32 -7.492 12.918 1.652 275 2HD2 ASN 32 HD21 ASN 32 -7.830 11.657 0.567 276 H VAL 33 HN VAL 33 -8.273 10.444 -1.746 277 HA VAL 33 HA VAL 33 -5.999 8.721 -0.958 278 HB VAL 33 HB VAL 33 -7.522 7.126 -1.959 279 1HG1 VAL 33 HG11 VAL 33 -8.187 9.393 -3.605 280 2HG1 VAL 33 HG13 VAL 33 -7.747 8.029 -4.633 281 3HG1 VAL 33 HG12 VAL 33 -9.041 7.857 -3.446 282 1HG2 VAL 33 HG21 VAL 33 -5.022 7.209 -2.630 283 2HG2 VAL 33 HG23 VAL 33 -6.101 6.248 -3.640 284 3HG2 VAL 33 HG22 VAL 33 -5.598 7.853 -4.167 285 H GLU 34 HN GLU 34 -4.085 9.124 -2.185 286 HA GLU 34 HA GLU 34 -4.274 11.382 -4.150 287 1HB GLU 34 HB2 GLU 34 -2.447 10.945 -1.836 288 2HB GLU 34 HB1 GLU 34 -1.759 11.664 -3.290 289 1HG GLU 34 HG2 GLU 34 -4.358 12.718 -2.218 290 2HG GLU 34 HG1 GLU 34 -2.847 13.227 -1.469 291 H GLU 35 HN GLU 35 -1.710 11.258 -5.164 292 HA GLU 35 HA GLU 35 -1.200 8.435 -5.879 293 1HB GLU 35 HB2 GLU 35 -1.922 10.536 -7.940 294 2HB GLU 35 HB1 GLU 35 -1.350 8.909 -8.304 295 1HG GLU 35 HG2 GLU 35 -3.318 8.039 -6.946 296 2HG GLU 35 HG1 GLU 35 -3.934 9.692 -6.935 297 H ALA 36 HN ALA 36 0.826 8.117 -6.931 298 HA ALA 36 HA ALA 36 2.612 10.483 -7.159 299 1HB ALA 36 HB2 ALA 36 2.700 8.825 -4.925 300 2HB ALA 36 HB1 ALA 36 3.973 8.186 -5.963 301 3HB ALA 36 HB3 ALA 36 3.999 9.879 -5.475 302 H GLU 37 HN GLU 37 4.935 9.260 -7.909 303 HA GLU 37 HA GLU 37 4.181 7.259 -9.991 304 1HB GLU 37 HB2 GLU 37 5.936 9.637 -10.615 305 2HB GLU 37 HB1 GLU 37 5.237 8.478 -11.746 306 1HG GLU 37 HG2 GLU 37 3.656 10.428 -10.040 307 2HG GLU 37 HG1 GLU 37 3.993 10.619 -11.760 308 H ASP 38 HN ASP 38 5.968 7.536 -7.385 309 HA ASP 38 HA ASP 38 7.844 5.547 -8.092 310 1HB ASP 38 HB2 ASP 38 8.631 8.268 -8.842 311 2HB ASP 38 HB1 ASP 38 9.812 7.472 -7.801 312 H GLY 39 HN GLY 39 9.036 4.876 -6.272 313 1HA GLY 39 HA2 GLY 39 8.077 5.457 -3.720 314 2HA GLY 39 HA1 GLY 39 9.705 4.844 -4.012 315 H VAL 40 HN VAL 40 10.510 7.161 -5.608 316 HA VAL 40 HA VAL 40 11.424 8.869 -3.468 317 HB VAL 40 HB VAL 40 11.411 9.530 -6.424 318 1HG1 VAL 40 HG11 VAL 40 12.088 11.215 -4.572 319 2HG1 VAL 40 HG13 VAL 40 13.510 10.194 -4.361 320 3HG1 VAL 40 HG12 VAL 40 13.207 10.974 -5.913 321 1HG2 VAL 40 HG21 VAL 40 13.000 7.546 -4.850 322 2HG2 VAL 40 HG23 VAL 40 12.480 7.483 -6.534 323 3HG2 VAL 40 HG22 VAL 40 13.851 8.492 -6.072 324 H ASP 41 HN ASP 41 8.825 9.033 -5.852 325 HA ASP 41 HA ASP 41 8.056 11.757 -5.242 326 1HB ASP 41 HB2 ASP 41 7.449 10.290 -7.303 327 2HB ASP 41 HB1 ASP 41 6.186 9.629 -6.271 328 H ALA 42 HN ALA 42 6.934 8.548 -4.224 329 HA ALA 42 HA ALA 42 4.858 9.460 -2.476 330 1HB ALA 42 HB3 ALA 42 5.823 6.992 -3.296 331 2HB ALA 42 HB2 ALA 42 6.240 7.035 -1.583 332 3HB ALA 42 HB1 ALA 42 4.564 7.246 -2.086 333 H LEU 43 HN LEU 43 8.197 8.405 -1.727 334 HA LEU 43 HA LEU 43 8.260 8.901 1.004 335 1HB LEU 43 HB2 LEU 43 10.186 7.985 -0.177 336 2HB LEU 43 HB1 LEU 43 10.418 9.506 -1.039 337 HG LEU 43 HG LEU 43 10.301 9.843 1.874 338 1HD1 LEU 43 HD12 LEU 43 12.416 8.092 0.600 339 2HD1 LEU 43 HD11 LEU 43 12.677 8.942 2.123 340 3HD1 LEU 43 HD13 LEU 43 11.408 7.725 1.999 341 1HD2 LEU 43 HD21 LEU 43 11.016 11.551 0.176 342 2HD2 LEU 43 HD23 LEU 43 12.231 11.259 1.420 343 3HD2 LEU 43 HD22 LEU 43 12.421 10.547 -0.182 344 H ASN 44 HN ASN 44 8.678 11.301 -1.605 345 HA ASN 44 HA ASN 44 9.079 13.499 0.246 346 1HB ASN 44 HB2 ASN 44 8.693 13.201 -2.697 347 2HB ASN 44 HB1 ASN 44 8.361 14.781 -1.988 348 1HD2 ASN 44 HD22 ASN 44 12.155 13.795 -2.649 349 2HD2 ASN 44 HD21 ASN 44 10.825 13.049 -3.393 350 H LYS 45 HN LYS 45 6.279 12.087 -1.371 351 HA LYS 45 HA LYS 45 4.531 14.255 -0.384 352 1HB LYS 45 HB2 LYS 45 4.424 12.467 -2.554 353 2HB LYS 45 HB1 LYS 45 3.119 11.972 -1.474 354 1HG LYS 45 HG2 LYS 45 2.370 14.363 -1.375 355 2HG LYS 45 HG1 LYS 45 3.590 14.752 -2.589 356 1HD LYS 45 HD2 LYS 45 2.314 12.594 -3.727 357 2HD LYS 45 HD1 LYS 45 0.987 13.420 -2.911 358 1HE LYS 45 HE2 LYS 45 1.712 15.555 -3.996 359 2HE LYS 45 HE1 LYS 45 2.921 14.642 -4.898 360 1HZ LYS 45 HZ2 LYS 45 0.078 13.856 -4.950 361 2HZ LYS 45 HZ1 LYS 45 0.663 15.069 -5.987 362 3HZ LYS 45 HZ3 LYS 45 1.302 13.500 -6.073 363 H LEU 46 HN LEU 46 5.787 11.382 0.845 364 HA LEU 46 HA LEU 46 3.494 10.378 2.277 365 1HB LEU 46 HB2 LEU 46 6.275 9.725 2.019 366 2HB LEU 46 HB1 LEU 46 5.900 9.850 3.735 367 HG LEU 46 HG LEU 46 5.549 7.548 2.889 368 1HD1 LEU 46 HD13 LEU 46 3.651 9.164 4.303 369 2HD1 LEU 46 HD12 LEU 46 2.776 7.992 3.320 370 3HD1 LEU 46 HD11 LEU 46 3.979 7.442 4.485 371 1HD2 LEU 46 HD23 LEU 46 4.401 8.902 0.677 372 2HD2 LEU 46 HD22 LEU 46 4.551 7.161 0.908 373 3HD2 LEU 46 HD21 LEU 46 3.096 8.000 1.445 374 H GLN 47 HN GLN 47 5.409 13.169 2.647 375 HA GLN 47 HA GLN 47 4.965 13.415 5.547 376 1HB GLN 47 HB2 GLN 47 6.151 15.288 3.478 377 2HB GLN 47 HB1 GLN 47 5.998 15.694 5.189 378 1HG GLN 47 HG2 GLN 47 7.371 13.740 5.787 379 2HG GLN 47 HG1 GLN 47 7.512 13.309 4.083 380 1HE2 GLN 47 HE22 GLN 47 9.737 16.061 3.341 381 2HE2 GLN 47 HE21 GLN 47 8.495 15.131 2.653 382 H ALA 48 HN ALA 48 3.071 13.804 2.850 383 HA ALA 48 HA ALA 48 1.745 16.221 3.020 384 1HB ALA 48 HB2 ALA 48 1.223 14.299 1.451 385 2HB ALA 48 HB1 ALA 48 0.297 13.575 2.767 386 3HB ALA 48 HB3 ALA 48 -0.192 15.133 2.098 387 H GLY 49 HN GLY 49 0.238 13.384 4.575 388 1HA GLY 49 HA2 GLY 49 -0.060 14.935 7.085 389 2HA GLY 49 HA1 GLY 49 -1.541 14.429 6.271 390 H GLY 50 HN GLY 50 0.956 12.216 5.740 391 1HA GLY 50 HA2 GLY 50 1.581 10.222 6.898 392 2HA GLY 50 HA1 GLY 50 0.440 10.639 8.178 393 OH TYR 51 OH TYR 51 -1.183 12.123 -0.273 394 H TYR 51 HN TYR 51 0.691 9.319 4.912 395 HA TYR 51 HA TYR 51 -2.071 8.732 4.534 396 1HB TYR 51 HB2 TYR 51 0.472 7.542 3.434 397 2HB TYR 51 HB1 TYR 51 -1.112 6.924 2.972 398 HD1 TYR 51 HD1 TYR 51 -2.775 8.428 1.872 399 HD2 TYR 51 HD2 TYR 51 1.264 9.646 2.651 400 HE1 TYR 51 HE1 TYR 51 -3.049 10.332 0.312 401 HE2 TYR 51 HE2 TYR 51 0.998 11.542 1.080 402 HH TYR 51 HH TYR 51 -0.852 11.851 -1.132 403 H GLY 52 HN GLY 52 -3.067 7.721 6.258 404 1HA GLY 52 HA2 GLY 52 -2.041 5.787 7.977 405 2HA GLY 52 HA1 GLY 52 -3.730 5.858 7.531 406 H PHE 53 HN PHE 53 -2.581 5.540 4.626 407 HA PHE 53 HA PHE 53 -1.877 2.655 4.722 408 1HB PHE 53 HB2 PHE 53 -4.493 3.503 4.416 409 2HB PHE 53 HB1 PHE 53 -3.965 3.238 2.764 410 HD1 PHE 53 HD2 PHE 53 -4.174 1.621 6.127 411 HD2 PHE 53 HD1 PHE 53 -3.752 1.068 1.904 412 HE1 PHE 53 HE2 PHE 53 -4.541 -0.801 6.399 413 HE2 PHE 53 HE1 PHE 53 -4.149 -1.331 2.166 414 HZ PHE 53 HZ PHE 53 -4.525 -2.297 4.422 415 H VAL 54 HN VAL 54 -0.154 2.489 3.334 416 HA VAL 54 HA VAL 54 -0.183 4.233 0.895 417 HB VAL 54 HB VAL 54 2.145 3.256 2.552 418 1HG1 VAL 54 HG13 VAL 54 2.031 4.406 -0.239 419 2HG1 VAL 54 HG12 VAL 54 3.468 4.576 0.769 420 3HG1 VAL 54 HG11 VAL 54 2.895 2.972 0.315 421 1HG2 VAL 54 HG23 VAL 54 1.093 5.990 1.768 422 2HG2 VAL 54 HG22 VAL 54 1.127 5.294 3.386 423 3HG2 VAL 54 HG21 VAL 54 2.635 5.725 2.581 424 H ILE 55 HN ILE 55 -0.391 3.180 -0.961 425 HA ILE 55 HA ILE 55 0.172 0.246 -1.023 426 HB ILE 55 HB ILE 55 -1.323 1.594 -3.223 427 1HG1 ILE 55 HG12 ILE 55 -2.431 1.149 -0.433 428 2HG1 ILE 55 HG11 ILE 55 -2.331 2.683 -1.299 429 1HG2 ILE 55 HG22 ILE 55 -0.748 -0.946 -2.821 430 2HG2 ILE 55 HG21 ILE 55 -2.132 -0.881 -1.730 431 3HG2 ILE 55 HG23 ILE 55 -2.337 -0.493 -3.438 432 1HD1 ILE 55 HD13 ILE 55 -3.703 1.179 -3.109 433 2HD1 ILE 55 HD12 ILE 55 -4.278 0.474 -1.598 434 3HD1 ILE 55 HD11 ILE 55 -4.478 2.200 -1.897 435 H SER 56 HN SER 56 1.904 -0.399 -2.196 436 HA SER 56 HA SER 56 2.778 1.228 -4.522 437 1HB SER 56 HB2 SER 56 5.024 1.421 -3.781 438 2HB SER 56 HB1 SER 56 4.062 1.850 -2.369 439 HG SER 56 HG SER 56 4.684 0.068 -1.405 440 H ASP 57 HN ASP 57 3.775 -0.059 -6.136 441 HA ASP 57 HA ASP 57 3.072 -2.804 -6.206 442 1HB ASP 57 HB2 ASP 57 5.061 -1.146 -7.755 443 2HB ASP 57 HB1 ASP 57 4.934 -2.882 -8.032 444 CH2 TRP 58 CH2 TRP 58 9.421 -6.817 -0.587 445 H TRP 58 HN TRP 58 6.477 -2.344 -6.766 446 HA TRP 58 HA TRP 58 7.440 -3.164 -4.178 447 1HB TRP 58 HB2 TRP 58 6.330 -5.283 -4.770 448 2HB TRP 58 HB1 TRP 58 7.218 -5.336 -6.290 449 HD1 TRP 58 HD1 TRP 58 9.710 -6.099 -6.239 450 HE1 TRP 58 HE1 TRP 58 11.210 -7.131 -4.417 451 HE3 TRP 58 HE3 TRP 58 6.803 -5.260 -2.126 452 HZ2 TRP 58 HZ2 TRP 58 11.182 -7.550 -1.587 453 HZ3 TRP 58 HZ3 TRP 58 7.565 -5.987 0.116 454 HH2 TRP 58 HH2 TRP 58 9.745 -7.136 0.395 455 H ASN 59 HN ASN 59 8.208 -3.855 -7.625 456 HA ASN 59 HA ASN 59 10.767 -2.357 -7.235 457 1HB ASN 59 HB2 ASN 59 11.885 -4.104 -8.662 458 2HB ASN 59 HB1 ASN 59 11.378 -4.694 -7.080 459 1HD2 ASN 59 HD22 ASN 59 8.430 -5.760 -9.589 460 2HD2 ASN 59 HD21 ASN 59 8.659 -4.164 -9.057 461 H MET 60 HN MET 60 7.939 -2.640 -8.937 462 HA MET 60 HA MET 60 8.757 -2.308 -11.636 463 1HB MET 60 HB2 MET 60 6.308 -2.194 -10.182 464 2HB MET 60 HB1 MET 60 6.412 -0.740 -11.174 465 1HG MET 60 HG2 MET 60 6.970 -2.179 -13.143 466 2HG MET 60 HG1 MET 60 6.708 -3.601 -12.131 467 1HE MET 60 HE1 MET 60 5.324 -0.251 -13.234 468 2HE MET 60 HE3 MET 60 5.102 -1.290 -14.648 469 3HE MET 60 HE2 MET 60 3.702 -0.623 -13.812 470 HA PRO 61 HA PRO 61 8.631 2.444 -10.797 471 1HB PRO 61 HB2 PRO 61 9.258 2.910 -8.029 472 2HB PRO 61 HB1 PRO 61 7.786 3.355 -8.903 473 1HG PRO 61 HG2 PRO 61 8.048 1.330 -6.905 474 2HG PRO 61 HG1 PRO 61 6.618 1.687 -7.883 475 1HD PRO 61 HD2 PRO 61 8.464 -0.551 -8.098 476 2HD PRO 61 HD1 PRO 61 6.913 -0.313 -8.925 477 H ASN 62 HN ASN 62 10.661 1.239 -8.096 478 HA ASN 62 HA ASN 62 13.085 1.876 -9.735 479 1HB ASN 62 HB2 ASN 62 12.985 2.312 -6.756 480 2HB ASN 62 HB1 ASN 62 14.115 2.984 -7.932 481 1HD2 ASN 62 HD22 ASN 62 10.620 4.902 -7.187 482 2HD2 ASN 62 HD21 ASN 62 11.029 3.467 -6.379 483 H MET 63 HN MET 63 14.815 1.101 -7.498 484 HA MET 63 HA MET 63 15.236 -1.612 -8.061 485 1HB MET 63 HB2 MET 63 15.886 0.030 -5.606 486 2HB MET 63 HB1 MET 63 16.400 -1.649 -5.775 487 1HG MET 63 HG2 MET 63 17.953 -1.153 -7.377 488 2HG MET 63 HG1 MET 63 16.947 0.100 -8.106 489 1HE MET 63 HE1 MET 63 17.188 2.452 -7.838 490 2HE MET 63 HE3 MET 63 18.721 3.113 -7.253 491 3HE MET 63 HE2 MET 63 18.714 1.847 -8.477 492 H ASP 64 HN ASP 64 14.291 -0.829 -4.739 493 HA ASP 64 HA ASP 64 11.965 -2.670 -4.959 494 1HB ASP 64 HB2 ASP 64 12.714 -3.861 -2.896 495 2HB ASP 64 HB1 ASP 64 13.810 -4.109 -4.255 496 H GLY 65 HN GLY 65 10.277 -2.042 -3.616 497 1HA GLY 65 HA2 GLY 65 10.397 0.568 -2.420 498 2HA GLY 65 HA1 GLY 65 9.066 -0.564 -2.231 499 H LEU 66 HN LEU 66 11.717 -2.302 -1.373 500 HA LEU 66 HA LEU 66 11.096 -2.485 1.361 501 1HB LEU 66 HB2 LEU 66 13.055 -3.568 -0.331 502 2HB LEU 66 HB1 LEU 66 13.971 -2.719 0.914 503 HG LEU 66 HG LEU 66 13.579 -4.997 1.658 504 1HD1 LEU 66 HD11 LEU 66 12.964 -2.753 3.119 505 2HD1 LEU 66 HD13 LEU 66 11.503 -3.721 3.313 506 3HD1 LEU 66 HD12 LEU 66 13.069 -4.383 3.783 507 1HD2 LEU 66 HD23 LEU 66 11.063 -4.601 0.352 508 2HD2 LEU 66 HD22 LEU 66 11.721 -6.090 1.030 509 3HD2 LEU 66 HD21 LEU 66 10.748 -5.017 2.037 510 H GLU 67 HN GLU 67 13.468 -0.384 -0.260 511 HA GLU 67 HA GLU 67 14.253 0.979 2.174 512 1HB GLU 67 HB2 GLU 67 15.610 0.875 0.028 513 2HB GLU 67 HB1 GLU 67 14.460 2.016 -0.668 514 1HG GLU 67 HG2 GLU 67 15.675 3.682 0.236 515 2HG GLU 67 HG1 GLU 67 15.165 3.111 1.825 516 H LEU 68 HN LEU 68 11.917 1.577 -0.416 517 HA LEU 68 HA LEU 68 11.071 4.178 0.268 518 1HB LEU 68 HB2 LEU 68 10.288 2.965 -1.740 519 2HB LEU 68 HB1 LEU 68 9.399 1.841 -0.721 520 HG LEU 68 HG LEU 68 8.020 3.717 0.134 521 1HD1 LEU 68 HD12 LEU 68 9.886 5.262 -1.642 522 2HD1 LEU 68 HD11 LEU 68 8.233 5.833 -1.422 523 3HD1 LEU 68 HD13 LEU 68 9.296 5.661 -0.028 524 1HD2 LEU 68 HD21 LEU 68 8.191 3.278 -2.855 525 2HD2 LEU 68 HD23 LEU 68 7.097 2.507 -1.707 526 3HD2 LEU 68 HD22 LEU 68 6.894 4.212 -2.110 527 H LEU 69 HN LEU 69 10.465 1.104 1.803 528 HA LEU 69 HA LEU 69 8.400 2.187 3.609 529 1HB LEU 69 HB2 LEU 69 9.389 -0.402 2.784 530 2HB LEU 69 HB1 LEU 69 9.300 -0.303 4.533 531 HG LEU 69 HG LEU 69 6.968 0.577 2.824 532 1HD1 LEU 69 HD11 LEU 69 7.656 -1.787 2.227 533 2HD1 LEU 69 HD13 LEU 69 7.373 -2.214 3.916 534 3HD1 LEU 69 HD12 LEU 69 6.046 -1.629 2.915 535 1HD2 LEU 69 HD21 LEU 69 7.340 -0.404 5.665 536 2HD2 LEU 69 HD23 LEU 69 6.757 1.169 5.141 537 3HD2 LEU 69 HD22 LEU 69 5.761 -0.262 4.908 538 H LYS 70 HN LYS 70 11.451 0.440 4.141 539 HA LYS 70 HA LYS 70 11.989 0.843 6.770 540 1HB LYS 70 HB2 LYS 70 13.539 -0.044 4.857 541 2HB LYS 70 HB1 LYS 70 14.163 1.606 4.837 542 1HG LYS 70 HG2 LYS 70 14.290 1.247 7.459 543 2HG LYS 70 HG1 LYS 70 14.332 -0.457 7.003 544 1HD LYS 70 HD2 LYS 70 16.591 -0.004 6.909 545 2HD LYS 70 HD1 LYS 70 16.150 0.443 5.262 546 1HE LYS 70 HE2 LYS 70 17.458 2.257 6.136 547 2HE LYS 70 HE1 LYS 70 15.782 2.806 6.117 548 1HZ LYS 70 HZ2 LYS 70 17.051 1.572 8.494 549 2HZ LYS 70 HZ1 LYS 70 17.037 3.248 8.220 550 3HZ LYS 70 HZ3 LYS 70 15.576 2.412 8.419 551 H THR 71 HN THR 71 12.740 3.355 4.315 552 HA THR 71 HA THR 71 13.674 5.362 6.028 553 HB THR 71 HB THR 71 12.258 6.878 4.315 554 HG1 THR 71 HG1 THR 71 11.257 5.676 2.941 555 1HG2 THR 71 HG21 THR 71 14.678 5.201 3.601 556 2HG2 THR 71 HG23 THR 71 14.166 6.655 2.745 557 3HG2 THR 71 HG22 THR 71 14.702 6.762 4.421 558 H ILE 72 HN ILE 72 10.299 4.569 5.215 559 HA ILE 72 HA ILE 72 9.049 6.588 6.783 560 HB ILE 72 HB ILE 72 8.020 3.776 6.311 561 1HG1 ILE 72 HG12 ILE 72 7.606 6.216 4.550 562 2HG1 ILE 72 HG11 ILE 72 8.828 4.996 4.215 563 1HG2 ILE 72 HG23 ILE 72 6.683 6.438 6.865 564 2HG2 ILE 72 HG22 ILE 72 5.809 4.995 6.349 565 3HG2 ILE 72 HG21 ILE 72 6.667 5.003 7.890 566 1HD1 ILE 72 HD13 ILE 72 6.645 3.400 4.546 567 2HD1 ILE 72 HD12 ILE 72 5.884 4.850 3.905 568 3HD1 ILE 72 HD11 ILE 72 7.151 4.043 2.986 569 NH1 ARG 73 NH2 ARG 73 13.847 -0.259 12.861 570 NH2 ARG 73 NH1 ARG 73 14.563 1.818 12.334 571 H ARG 73 HN ARG 73 10.473 3.496 7.631 572 HA ARG 73 HA ARG 73 9.398 3.545 10.363 573 1HB ARG 73 HB2 ARG 73 9.942 1.436 9.012 574 2HB ARG 73 HB1 ARG 73 11.640 1.801 9.322 575 1HG ARG 73 HG2 ARG 73 10.647 2.046 11.833 576 2HG ARG 73 HG1 ARG 73 9.543 0.834 11.186 577 1HD ARG 73 HD2 ARG 73 11.507 -0.240 12.216 578 2HD ARG 73 HD1 ARG 73 11.468 -0.544 10.480 579 HE ARG 73 HE ARG 73 13.197 1.269 10.261 580 1HH1 ARG 73 HH21 ARG 73 13.251 -1.042 12.681 581 2HH1 ARG 73 HH22 ARG 73 14.492 -0.288 13.625 582 1HH2 ARG 73 HH11 ARG 73 14.515 2.628 11.749 583 2HH2 ARG 73 HH12 ARG 73 15.207 1.791 13.097 584 H ALA 74 HN ALA 74 12.219 4.689 8.686 585 HA ALA 74 HA ALA 74 14.197 4.775 10.637 586 1HB ALA 74 HB2 ALA 74 14.379 5.715 8.312 587 2HB ALA 74 HB1 ALA 74 13.460 7.117 8.859 588 3HB ALA 74 HB3 ALA 74 15.043 6.775 9.556 589 H ASP 75 HN ASP 75 11.190 6.566 10.548 590 HA ASP 75 HA ASP 75 11.827 8.592 12.451 591 1HB ASP 75 HB2 ASP 75 9.705 8.318 10.984 592 2HB ASP 75 HB1 ASP 75 9.115 7.282 12.285 593 H GLY 76 HN GLY 76 9.680 7.967 14.401 594 1HA GLY 76 HA2 GLY 76 10.503 5.524 15.774 595 2HA GLY 76 HA1 GLY 76 11.085 6.994 16.559 596 H ALA 77 HN ALA 77 8.018 6.751 14.828 597 HA ALA 77 HA ALA 77 6.444 6.392 17.255 598 1HB ALA 77 HB1 ALA 77 7.258 8.839 17.280 599 2HB ALA 77 HB3 ALA 77 6.186 9.080 15.900 600 3HB ALA 77 HB2 ALA 77 5.523 8.572 17.453 601 H MET 78 HN MET 78 6.872 5.965 14.084 602 HA MET 78 HA MET 78 4.000 5.431 13.641 603 1HB MET 78 HB2 MET 78 4.302 6.528 11.295 604 2HB MET 78 HB1 MET 78 4.006 7.581 12.679 605 1HG MET 78 HG2 MET 78 6.367 8.079 12.884 606 2HG MET 78 HG1 MET 78 6.770 6.888 11.647 607 1HE MET 78 HE2 MET 78 7.153 7.391 9.363 608 2HE MET 78 HE1 MET 78 5.442 6.990 9.236 609 3HE MET 78 HE3 MET 78 6.095 8.380 8.361 610 H SER 79 HN SER 79 5.808 3.477 14.047 611 HA SER 79 HA SER 79 6.878 2.602 11.429 612 1HB SER 79 HB2 SER 79 8.395 2.215 13.225 613 2HB SER 79 HB1 SER 79 7.128 1.554 14.254 614 HG SER 79 HG SER 79 6.968 -0.188 12.768 615 H ALA 80 HN ALA 80 3.989 2.366 13.103 616 HA ALA 80 HA ALA 80 3.374 -0.373 12.137 617 1HB ALA 80 HB1 ALA 80 2.412 1.341 14.275 618 2HB ALA 80 HB3 ALA 80 1.073 0.742 13.295 619 3HB ALA 80 HB2 ALA 80 2.188 -0.395 14.053 620 H LEU 81 HN LEU 81 3.402 2.612 10.788 621 HA LEU 81 HA LEU 81 0.913 3.109 9.677 622 1HB LEU 81 HB2 LEU 81 3.656 3.725 9.011 623 2HB LEU 81 HB1 LEU 81 2.714 3.462 7.545 624 HG LEU 81 HG LEU 81 2.664 5.841 8.277 625 1HD1 LEU 81 HD12 LEU 81 0.574 4.366 7.348 626 2HD1 LEU 81 HD11 LEU 81 -0.108 4.989 8.849 627 3HD1 LEU 81 HD13 LEU 81 0.496 6.106 7.630 628 1HD2 LEU 81 HD23 LEU 81 2.533 4.818 10.818 629 2HD2 LEU 81 HD22 LEU 81 2.139 6.484 10.394 630 3HD2 LEU 81 HD21 LEU 81 0.855 5.286 10.539 631 HA PRO 82 HA PRO 82 0.448 -0.968 7.687 632 1HB PRO 82 HB2 PRO 82 -2.037 -0.131 6.522 633 2HB PRO 82 HB1 PRO 82 -1.786 -1.260 7.852 634 1HG PRO 82 HG2 PRO 82 -2.838 1.400 8.003 635 2HG PRO 82 HG1 PRO 82 -2.521 0.293 9.341 636 1HD PRO 82 HD2 PRO 82 -1.055 2.670 8.610 637 2HD PRO 82 HD1 PRO 82 -0.775 1.588 9.991 638 H VAL 83 HN VAL 83 0.814 -1.695 5.643 639 HA VAL 83 HA VAL 83 0.548 0.154 3.332 640 HB VAL 83 HB VAL 83 3.079 -1.179 4.293 641 1HG1 VAL 83 HG11 VAL 83 2.186 -0.804 1.412 642 2HG1 VAL 83 HG13 VAL 83 3.893 -0.812 1.844 643 3HG1 VAL 83 HG12 VAL 83 2.907 -2.237 2.144 644 1HG2 VAL 83 HG23 VAL 83 2.248 1.459 4.058 645 2HG2 VAL 83 HG22 VAL 83 3.920 0.925 4.168 646 3HG2 VAL 83 HG21 VAL 83 3.195 1.209 2.591 647 H LEU 84 HN LEU 84 -0.151 -0.933 1.542 648 HA LEU 84 HA LEU 84 -0.265 -3.899 1.793 649 1HB LEU 84 HB2 LEU 84 -2.486 -2.855 1.866 650 2HB LEU 84 HB1 LEU 84 -2.176 -2.068 0.321 651 HG LEU 84 HG LEU 84 -1.955 -4.285 -0.752 652 1HD1 LEU 84 HD12 LEU 84 -2.243 -5.176 2.093 653 2HD1 LEU 84 HD11 LEU 84 -2.923 -6.196 0.824 654 3HD1 LEU 84 HD13 LEU 84 -1.202 -5.815 0.821 655 1HD2 LEU 84 HD22 LEU 84 -4.375 -3.294 0.584 656 2HD2 LEU 84 HD21 LEU 84 -4.152 -3.832 -1.078 657 3HD2 LEU 84 HD23 LEU 84 -4.448 -5.013 0.197 658 H MET 85 HN MET 85 1.927 -3.751 0.890 659 HA MET 85 HA MET 85 2.420 -2.704 -1.715 660 1HB MET 85 HB2 MET 85 3.822 -4.452 0.209 661 2HB MET 85 HB1 MET 85 4.248 -4.729 -1.480 662 1HG MET 85 HG2 MET 85 4.884 -2.438 -1.786 663 2HG MET 85 HG1 MET 85 4.197 -1.973 -0.230 664 1HE MET 85 HE1 MET 85 7.049 -1.578 -1.629 665 2HE MET 85 HE3 MET 85 6.806 -0.784 -0.066 666 3HE MET 85 HE2 MET 85 8.233 -1.780 -0.341 667 H VAL 86 HN VAL 86 1.636 -3.532 -3.655 668 HA VAL 86 HA VAL 86 0.697 -6.355 -3.673 669 HB VAL 86 HB VAL 86 -0.973 -5.721 -5.130 670 1HG1 VAL 86 HG13 VAL 86 -0.827 -4.332 -2.865 671 2HG1 VAL 86 HG12 VAL 86 -0.687 -2.987 -3.994 672 3HG1 VAL 86 HG11 VAL 86 -2.103 -4.034 -4.041 673 1HG2 VAL 86 HG23 VAL 86 0.863 -3.480 -5.932 674 2HG2 VAL 86 HG22 VAL 86 0.229 -4.779 -6.940 675 3HG2 VAL 86 HG21 VAL 86 -0.838 -3.489 -6.392 676 H THR 87 HN THR 87 1.410 -7.784 -5.219 677 HA THR 87 HA THR 87 3.108 -6.759 -7.417 678 HB THR 87 HB THR 87 4.773 -7.032 -5.696 679 HG1 THR 87 HG1 THR 87 5.609 -7.841 -7.506 680 1HG2 THR 87 HG23 THR 87 3.429 -9.701 -5.238 681 2HG2 THR 87 HG22 THR 87 5.016 -9.298 -4.584 682 3HG2 THR 87 HG21 THR 87 3.599 -8.371 -4.093 683 H ALA 88 HN ALA 88 3.620 -8.489 -8.990 684 HA ALA 88 HA ALA 88 1.492 -10.587 -8.995 685 1HB ALA 88 HB2 ALA 88 2.904 -9.025 -11.122 686 2HB ALA 88 HB1 ALA 88 2.361 -10.655 -11.517 687 3HB ALA 88 HB3 ALA 88 1.197 -9.443 -10.987 688 H GLU 89 HN GLU 89 4.192 -10.679 -7.622 689 HA GLU 89 HA GLU 89 5.026 -13.285 -8.785 690 1HB GLU 89 HB2 GLU 89 6.500 -11.391 -9.658 691 2HB GLU 89 HB1 GLU 89 7.054 -11.184 -7.996 692 1HG GLU 89 HG2 GLU 89 7.699 -13.610 -7.972 693 2HG GLU 89 HG1 GLU 89 7.289 -13.690 -9.686 694 H ALA 90 HN ALA 90 6.132 -11.047 -6.207 695 HA ALA 90 HA ALA 90 6.637 -11.519 -3.956 696 1HB ALA 90 HB2 ALA 90 4.021 -11.725 -4.223 697 2HB ALA 90 HB1 ALA 90 4.326 -13.441 -3.960 698 3HB ALA 90 HB3 ALA 90 4.794 -12.265 -2.733 699 H LYS 91 HN LYS 91 8.589 -12.688 -4.194 700 HA LYS 91 HA LYS 91 8.806 -15.393 -5.011 701 1HB LYS 91 HB2 LYS 91 10.557 -13.843 -3.079 702 2HB LYS 91 HB1 LYS 91 11.005 -15.331 -3.904 703 1HG LYS 91 HG2 LYS 91 10.232 -13.857 -6.036 704 2HG LYS 91 HG1 LYS 91 10.791 -12.568 -4.971 705 1HD LYS 91 HD2 LYS 91 12.407 -15.021 -5.737 706 2HD LYS 91 HD1 LYS 91 12.616 -13.410 -6.421 707 1HE LYS 91 HE2 LYS 91 13.040 -14.235 -3.537 708 2HE LYS 91 HE1 LYS 91 14.262 -13.673 -4.677 709 1HZ LYS 91 HZ2 LYS 91 12.954 -11.564 -4.819 710 2HZ LYS 91 HZ1 LYS 91 12.030 -12.116 -3.504 711 3HZ LYS 91 HZ3 LYS 91 13.694 -11.846 -3.316 712 H LYS 92 HN LYS 92 10.064 -15.042 -1.829 713 HA LYS 92 HA LYS 92 7.784 -16.498 -0.615 714 1HB LYS 92 HB2 LYS 92 9.357 -18.191 -1.606 715 2HB LYS 92 HB1 LYS 92 10.617 -17.584 -0.538 716 1HG LYS 92 HG2 LYS 92 8.879 -18.022 1.366 717 2HG LYS 92 HG1 LYS 92 8.082 -19.046 0.173 718 1HD LYS 92 HD2 LYS 92 10.603 -19.928 -0.140 719 2HD LYS 92 HD1 LYS 92 10.696 -19.419 1.546 720 1HE LYS 92 HE2 LYS 92 8.657 -21.331 0.369 721 2HE LYS 92 HE1 LYS 92 10.001 -21.764 1.428 722 1HZ LYS 92 HZ2 LYS 92 8.533 -19.687 2.616 723 2HZ LYS 92 HZ1 LYS 92 7.449 -20.912 2.157 724 3HZ LYS 92 HZ3 LYS 92 8.756 -21.277 3.174 725 H GLU 93 HN GLU 93 10.880 -16.687 0.925 726 HA GLU 93 HA GLU 93 10.109 -15.459 3.294 727 1HB GLU 93 HB2 GLU 93 12.269 -16.755 2.762 728 2HB GLU 93 HB1 GLU 93 12.917 -15.205 2.222 729 1HG GLU 93 HG2 GLU 93 12.271 -14.244 4.463 730 2HG GLU 93 HG1 GLU 93 11.867 -15.882 4.982 731 H ASN 94 HN ASN 94 11.112 -13.943 0.300 732 HA ASN 94 HA ASN 94 11.874 -11.390 1.185 733 1HB ASN 94 HB2 ASN 94 11.300 -12.540 -1.271 734 2HB ASN 94 HB1 ASN 94 10.072 -11.282 -1.122 735 1HD2 ASN 94 HD22 ASN 94 12.880 -8.821 -0.533 736 2HD2 ASN 94 HD21 ASN 94 11.638 -9.417 0.460 737 H ILE 95 HN ILE 95 8.703 -12.860 1.164 738 HA ILE 95 HA ILE 95 7.209 -10.405 1.495 739 HB ILE 95 HB ILE 95 6.491 -13.258 2.238 740 1HG1 ILE 95 HG12 ILE 95 5.644 -11.640 -0.179 741 2HG1 ILE 95 HG11 ILE 95 7.028 -12.733 -0.200 742 1HG2 ILE 95 HG21 ILE 95 4.875 -10.706 2.052 743 2HG2 ILE 95 HG23 ILE 95 4.135 -12.307 2.015 744 3HG2 ILE 95 HG22 ILE 95 5.034 -11.785 3.439 745 1HD1 ILE 95 HD13 ILE 95 4.598 -13.933 0.941 746 2HD1 ILE 95 HD12 ILE 95 4.433 -13.473 -0.753 747 3HD1 ILE 95 HD11 ILE 95 5.714 -14.581 -0.262 748 H ILE 96 HN ILE 96 8.924 -12.558 3.663 749 HA ILE 96 HA ILE 96 7.687 -11.546 6.086 750 HB ILE 96 HB ILE 96 10.214 -13.123 5.559 751 1HG1 ILE 96 HG12 ILE 96 7.678 -13.907 7.018 752 2HG1 ILE 96 HG11 ILE 96 7.893 -14.156 5.285 753 1HG2 ILE 96 HG23 ILE 96 9.220 -11.791 8.029 754 2HG2 ILE 96 HG22 ILE 96 9.803 -13.447 8.205 755 3HG2 ILE 96 HG21 ILE 96 10.869 -12.200 7.558 756 1HD1 ILE 96 HD13 ILE 96 9.996 -15.134 7.195 757 2HD1 ILE 96 HD12 ILE 96 8.530 -16.084 6.951 758 3HD1 ILE 96 HD11 ILE 96 9.590 -15.733 5.587 759 H ALA 97 HN ALA 97 10.864 -11.007 4.550 760 HA ALA 97 HA ALA 97 11.937 -9.120 6.302 761 1HB ALA 97 HB3 ALA 97 12.091 -9.439 3.317 762 2HB ALA 97 HB2 ALA 97 12.838 -8.035 4.078 763 3HB ALA 97 HB1 ALA 97 13.359 -9.660 4.522 764 H ALA 98 HN ALA 98 9.673 -8.537 3.635 765 HA ALA 98 HA ALA 98 9.452 -5.733 3.913 766 1HB ALA 98 HB1 ALA 98 8.368 -7.544 2.241 767 2HB ALA 98 HB3 ALA 98 6.982 -7.273 3.295 768 3HB ALA 98 HB2 ALA 98 7.712 -5.921 2.430 769 H ALA 99 HN ALA 99 7.384 -8.272 5.366 770 HA ALA 99 HA ALA 99 5.714 -6.621 6.874 771 1HB ALA 99 HB1 ALA 99 5.927 -9.288 6.599 772 2HB ALA 99 HB3 ALA 99 6.661 -9.112 8.193 773 3HB ALA 99 HB2 ALA 99 5.015 -8.543 7.913 774 H GLN 100 HN GLN 100 8.935 -7.876 7.768 775 HA GLN 100 HA GLN 100 9.074 -7.016 10.423 776 1HB GLN 100 HB2 GLN 100 11.256 -6.817 8.320 777 2HB GLN 100 HB1 GLN 100 11.514 -6.735 10.063 778 1HG GLN 100 HG2 GLN 100 10.603 -9.000 10.326 779 2HG GLN 100 HG1 GLN 100 10.288 -9.088 8.592 780 1HE2 GLN 100 HE22 GLN 100 13.487 -10.674 8.497 781 2HE2 GLN 100 HE21 GLN 100 11.811 -10.945 8.462 782 H ALA 101 HN ALA 101 9.068 -5.139 7.492 783 HA ALA 101 HA ALA 101 9.778 -2.652 8.931 784 1HB ALA 101 HB1 ALA 101 9.035 -3.164 6.032 785 2HB ALA 101 HB3 ALA 101 9.537 -1.602 6.679 786 3HB ALA 101 HB2 ALA 101 10.668 -2.956 6.667 787 H GLY 102 HN GLY 102 7.589 -1.969 6.518 788 1HA GLY 102 HA2 GLY 102 5.304 -1.822 8.397 789 2HA GLY 102 HA1 GLY 102 5.681 -0.501 7.301 790 H ALA 103 HN ALA 103 6.522 -3.016 5.549 791 HA ALA 103 HA ALA 103 4.370 -2.979 3.717 792 1HB ALA 103 HB1 ALA 103 6.835 -4.478 4.100 793 2HB ALA 103 HB3 ALA 103 5.560 -5.437 3.353 794 3HB ALA 103 HB2 ALA 103 6.077 -3.928 2.605 795 H SER 104 HN SER 104 4.003 -3.875 6.695 796 HA SER 104 HA SER 104 3.141 -6.333 7.266 797 1HB SER 104 HB2 SER 104 1.700 -3.735 7.705 798 2HB SER 104 HB1 SER 104 0.978 -5.245 8.254 799 HG SER 104 HG SER 104 2.238 -4.524 9.911 800 H GLY 105 HN GLY 105 1.421 -4.306 4.894 801 1HA GLY 105 HA2 GLY 105 -0.535 -6.513 4.488 802 2HA GLY 105 HA1 GLY 105 -0.684 -4.883 3.844 803 OH TYR 106 OH TYR 106 2.237 -12.662 -2.930 804 H TYR 106 HN TYR 106 -0.437 -7.824 2.717 805 HA TYR 106 HA TYR 106 1.119 -6.961 0.348 806 1HB TYR 106 HB2 TYR 106 2.885 -8.172 1.212 807 2HB TYR 106 HB1 TYR 106 1.835 -9.235 2.150 808 HD1 TYR 106 HD2 TYR 106 2.044 -8.336 -1.517 809 HD2 TYR 106 HD1 TYR 106 2.024 -11.455 1.446 810 HE1 TYR 106 HE2 TYR 106 2.165 -10.047 -3.299 811 HE2 TYR 106 HE1 TYR 106 2.145 -13.155 -0.341 812 HH TYR 106 HH TYR 106 1.392 -13.117 -2.966 813 H VAL 107 HN VAL 107 0.030 -7.509 -1.450 814 HA VAL 107 HA VAL 107 -1.838 -9.837 -1.359 815 HB VAL 107 HB VAL 107 -3.191 -7.794 -1.064 816 1HG1 VAL 107 HG13 VAL 107 -1.268 -6.604 -2.614 817 2HG1 VAL 107 HG12 VAL 107 -2.596 -6.746 -3.754 818 3HG1 VAL 107 HG11 VAL 107 -2.817 -5.879 -2.237 819 1HG2 VAL 107 HG21 VAL 107 -3.969 -9.722 -2.515 820 2HG2 VAL 107 HG23 VAL 107 -4.717 -8.173 -2.899 821 3HG2 VAL 107 HG22 VAL 107 -3.422 -8.802 -3.915 822 H VAL 108 HN VAL 108 -1.382 -11.181 -3.035 823 HA VAL 108 HA VAL 108 0.566 -10.408 -5.017 824 HB VAL 108 HB VAL 108 0.570 -12.716 -4.565 825 1HG1 VAL 108 HG12 VAL 108 -2.389 -12.346 -4.476 826 2HG1 VAL 108 HG11 VAL 108 -1.781 -13.940 -4.924 827 3HG1 VAL 108 HG13 VAL 108 -1.335 -13.230 -3.373 828 1HG2 VAL 108 HG22 VAL 108 0.308 -12.021 -7.084 829 2HG2 VAL 108 HG21 VAL 108 0.196 -13.724 -6.644 830 3HG2 VAL 108 HG23 VAL 108 -1.271 -12.793 -6.941 831 H LYS 109 HN LYS 109 -0.105 -8.803 -6.432 832 HA LYS 109 HA LYS 109 -2.821 -8.546 -7.360 833 1HB LYS 109 HB2 LYS 109 -2.082 -6.548 -8.190 834 2HB LYS 109 HB1 LYS 109 -0.635 -6.911 -7.264 835 1HG LYS 109 HG2 LYS 109 0.280 -8.087 -9.317 836 2HG LYS 109 HG1 LYS 109 -1.092 -7.427 -10.215 837 1HD LYS 109 HD2 LYS 109 -0.381 -5.134 -9.386 838 2HD LYS 109 HD1 LYS 109 1.100 -5.895 -8.802 839 1HE LYS 109 HE2 LYS 109 1.393 -4.922 -11.068 840 2HE LYS 109 HE1 LYS 109 1.628 -6.669 -11.065 841 1HZ LYS 109 HZ1 LYS 109 -0.984 -5.424 -11.685 842 2HZ LYS 109 HZ3 LYS 109 0.177 -5.736 -12.883 843 3HZ LYS 109 HZ2 LYS 109 -0.483 -7.019 -11.985 844 HA PRO 110 HA PRO 110 -3.675 -7.580 -9.458 845 1HB PRO 110 HB2 PRO 110 -5.684 -9.012 -10.914 846 2HB PRO 110 HB1 PRO 110 -4.688 -7.669 -11.490 847 1HG PRO 110 HG2 PRO 110 -4.530 -10.386 -12.330 848 2HG PRO 110 HG1 PRO 110 -3.417 -9.078 -12.756 849 1HD PRO 110 HD2 PRO 110 -3.015 -11.296 -10.873 850 2HD PRO 110 HD1 PRO 110 -1.817 -10.179 -11.556 851 H PHE 111 HN PHE 111 -5.949 -7.431 -8.535 852 HA PHE 111 HA PHE 111 -6.903 -9.899 -7.184 853 1HB PHE 111 HB2 PHE 111 -7.239 -8.508 -5.065 854 2HB PHE 111 HB1 PHE 111 -5.585 -8.990 -5.418 855 HD1 PHE 111 HD1 PHE 111 -8.034 -6.165 -5.843 856 HD2 PHE 111 HD2 PHE 111 -3.915 -7.368 -5.685 857 HE1 PHE 111 HE1 PHE 111 -7.317 -3.803 -5.987 858 HE2 PHE 111 HE2 PHE 111 -3.210 -5.007 -5.822 859 HZ PHE 111 HZ PHE 111 -4.913 -3.219 -5.966 860 H THR 112 HN THR 112 -9.035 -9.690 -6.378 861 HA THR 112 HA THR 112 -10.651 -7.637 -7.811 862 HB THR 112 HB THR 112 -12.009 -9.801 -6.299 863 HG1 THR 112 HG1 THR 112 -10.183 -10.871 -7.182 864 1HG2 THR 112 HG23 THR 112 -13.126 -8.149 -7.818 865 2HG2 THR 112 HG22 THR 112 -12.246 -8.865 -9.169 866 3HG2 THR 112 HG21 THR 112 -13.418 -9.829 -8.271 867 H ALA 113 HN ALA 113 -12.111 -6.327 -6.517 868 HA ALA 113 HA ALA 113 -11.163 -5.371 -4.088 869 1HB ALA 113 HB1 ALA 113 -13.201 -4.588 -5.568 870 2HB ALA 113 HB3 ALA 113 -14.140 -5.596 -4.466 871 3HB ALA 113 HB2 ALA 113 -13.201 -4.242 -3.839 872 H ALA 114 HN ALA 114 -12.836 -8.356 -4.662 873 HA ALA 114 HA ALA 114 -13.639 -8.795 -1.916 874 1HB ALA 114 HB3 ALA 114 -13.893 -10.179 -4.393 875 2HB ALA 114 HB2 ALA 114 -13.086 -11.273 -3.271 876 3HB ALA 114 HB1 ALA 114 -14.654 -10.583 -2.854 877 H THR 115 HN THR 115 -10.789 -9.655 -3.865 878 HA THR 115 HA THR 115 -9.479 -11.096 -1.738 879 HB THR 115 HB THR 115 -7.452 -10.027 -3.318 880 HG1 THR 115 HG1 THR 115 -9.763 -10.561 -4.869 881 1HG2 THR 115 HG22 THR 115 -9.097 -12.553 -3.544 882 2HG2 THR 115 HG21 THR 115 -7.639 -12.273 -4.496 883 3HG2 THR 115 HG23 THR 115 -7.543 -12.347 -2.736 884 H LEU 116 HN LEU 116 -8.641 -7.823 -3.100 885 HA LEU 116 HA LEU 116 -7.018 -7.013 -0.970 886 1HB LEU 116 HB2 LEU 116 -8.167 -5.763 -3.157 887 2HB LEU 116 HB1 LEU 116 -8.867 -4.897 -1.792 888 HG LEU 116 HG LEU 116 -6.538 -4.669 -0.842 889 1HD1 LEU 116 HD12 LEU 116 -5.955 -6.226 -3.281 890 2HD1 LEU 116 HD11 LEU 116 -4.894 -4.847 -3.027 891 3HD1 LEU 116 HD13 LEU 116 -5.044 -6.088 -1.786 892 1HD2 LEU 116 HD21 LEU 116 -7.750 -2.905 -2.247 893 2HD2 LEU 116 HD23 LEU 116 -5.996 -2.762 -2.171 894 3HD2 LEU 116 HD22 LEU 116 -6.761 -3.448 -3.600 895 H GLU 117 HN GLU 117 -10.579 -7.093 -1.061 896 HA GLU 117 HA GLU 117 -10.971 -5.690 1.387 897 1HB GLU 117 HB2 GLU 117 -12.868 -5.974 -0.035 898 2HB GLU 117 HB1 GLU 117 -12.653 -7.724 -0.075 899 1HG GLU 117 HG2 GLU 117 -13.364 -7.981 2.169 900 2HG GLU 117 HG1 GLU 117 -13.161 -6.263 2.516 901 H GLU 118 HN GLU 118 -11.372 -9.184 0.844 902 HA GLU 118 HA GLU 118 -11.473 -10.058 3.467 903 1HB GLU 118 HB2 GLU 118 -11.450 -11.370 1.171 904 2HB GLU 118 HB1 GLU 118 -9.743 -11.588 1.552 905 1HG GLU 118 HG2 GLU 118 -12.037 -12.316 3.401 906 2HG GLU 118 HG1 GLU 118 -11.137 -13.461 2.407 907 H LYS 119 HN LYS 119 -8.634 -8.928 1.722 908 HA LYS 119 HA LYS 119 -6.785 -9.853 3.793 909 1HB LYS 119 HB2 LYS 119 -6.490 -8.108 1.344 910 2HB LYS 119 HB1 LYS 119 -5.162 -8.358 2.478 911 1HG LYS 119 HG2 LYS 119 -6.630 -10.761 1.461 912 2HG LYS 119 HG1 LYS 119 -5.480 -9.964 0.386 913 1HD LYS 119 HD2 LYS 119 -4.622 -10.524 3.198 914 2HD LYS 119 HD1 LYS 119 -4.688 -11.873 2.063 915 1HE LYS 119 HE2 LYS 119 -3.076 -10.926 0.645 916 2HE LYS 119 HE1 LYS 119 -3.326 -9.303 1.288 917 1HZ LYS 119 HZ2 LYS 119 -2.374 -11.420 3.086 918 2HZ LYS 119 HZ1 LYS 119 -1.272 -10.703 2.010 919 3HZ LYS 119 HZ3 LYS 119 -2.093 -9.745 3.145 920 H LEU 120 HN LEU 120 -7.968 -6.646 2.715 921 HA LEU 120 HA LEU 120 -6.646 -5.156 4.750 922 1HB LEU 120 HB2 LEU 120 -8.340 -4.575 2.611 923 2HB LEU 120 HB1 LEU 120 -9.246 -4.049 4.029 924 HG LEU 120 HG LEU 120 -6.387 -3.270 3.379 925 1HD1 LEU 120 HD11 LEU 120 -8.422 -2.303 2.032 926 2HD1 LEU 120 HD13 LEU 120 -8.732 -1.394 3.511 927 3HD1 LEU 120 HD12 LEU 120 -7.199 -1.198 2.662 928 1HD2 LEU 120 HD22 LEU 120 -8.140 -2.947 5.762 929 2HD2 LEU 120 HD21 LEU 120 -6.381 -3.017 5.662 930 3HD2 LEU 120 HD23 LEU 120 -7.227 -1.521 5.268 931 H ASN 121 HN ASN 121 -9.662 -6.965 4.765 932 HA ASN 121 HA ASN 121 -10.546 -5.864 7.318 933 1HB ASN 121 HB2 ASN 121 -11.578 -7.702 5.304 934 2HB ASN 121 HB1 ASN 121 -11.861 -8.298 6.940 935 1HD2 ASN 121 HD22 ASN 121 -13.353 -4.532 6.213 936 2HD2 ASN 121 HD21 ASN 121 -11.784 -4.918 5.690 937 H LYS 122 HN LYS 122 -8.607 -8.588 6.260 938 HA LYS 122 HA LYS 122 -8.708 -9.944 8.842 939 1HB LYS 122 HB2 LYS 122 -8.165 -10.952 6.493 940 2HB LYS 122 HB1 LYS 122 -6.532 -10.359 6.802 941 1HG LYS 122 HG2 LYS 122 -6.474 -11.618 8.924 942 2HG LYS 122 HG1 LYS 122 -8.107 -12.212 8.617 943 1HD LYS 122 HD2 LYS 122 -7.367 -13.797 7.186 944 2HD LYS 122 HD1 LYS 122 -6.316 -12.655 6.348 945 1HE LYS 122 HE2 LYS 122 -4.641 -12.866 8.146 946 2HE LYS 122 HE1 LYS 122 -5.691 -14.004 8.991 947 1HZ LYS 122 HZ1 LYS 122 -5.623 -15.259 6.746 948 2HZ LYS 122 HZ3 LYS 122 -4.210 -14.361 6.475 949 3HZ LYS 122 HZ2 LYS 122 -4.312 -15.396 7.819 950 H ILE 123 HN ILE 123 -6.826 -7.386 7.422 951 HA ILE 123 HA ILE 123 -4.635 -7.660 9.354 952 HB ILE 123 HB ILE 123 -5.313 -5.662 7.201 953 1HG1 ILE 123 HG12 ILE 123 -2.856 -7.366 7.742 954 2HG1 ILE 123 HG11 ILE 123 -4.178 -7.851 6.685 955 1HG2 ILE 123 HG23 ILE 123 -3.347 -5.409 9.478 956 2HG2 ILE 123 HG22 ILE 123 -3.036 -4.620 7.934 957 3HG2 ILE 123 HG21 ILE 123 -4.473 -4.202 8.861 958 1HD1 ILE 123 HD12 ILE 123 -3.685 -5.481 5.566 959 2HD1 ILE 123 HD11 ILE 123 -2.092 -5.746 6.273 960 3HD1 ILE 123 HD13 ILE 123 -2.753 -6.909 5.124 961 H PHE 124 HN PHE 124 -7.418 -5.451 8.871 962 HA PHE 124 HA PHE 124 -6.792 -3.948 11.271 963 1HB PHE 124 HB2 PHE 124 -9.279 -4.102 9.563 964 2HB PHE 124 HB1 PHE 124 -9.137 -3.061 10.964 965 HD1 PHE 124 HD2 PHE 124 -5.913 -2.617 10.084 966 HD2 PHE 124 HD1 PHE 124 -9.792 -2.037 8.295 967 HE1 PHE 124 HE2 PHE 124 -4.987 -0.858 8.666 968 HE2 PHE 124 HE1 PHE 124 -8.833 -0.264 6.864 969 HZ PHE 124 HZ PHE 124 -6.447 0.325 7.041 970 H GLU 125 HN GLU 125 -7.788 -7.052 10.930 971 HA GLU 125 HA GLU 125 -9.806 -7.126 13.015 972 1HB GLU 125 HB2 GLU 125 -9.301 -8.984 11.297 973 2HB GLU 125 HB1 GLU 125 -7.908 -9.383 12.304 974 1HG GLU 125 HG2 GLU 125 -9.496 -9.572 14.265 975 2HG GLU 125 HG1 GLU 125 -10.825 -9.424 13.114 976 H LYS 126 HN LYS 126 -6.423 -6.762 12.831 977 HA LYS 126 HA LYS 126 -6.068 -7.308 15.739 978 1HB LYS 126 HB2 LYS 126 -4.188 -7.078 13.395 979 2HB LYS 126 HB1 LYS 126 -3.588 -6.807 15.032 980 1HG LYS 126 HG2 LYS 126 -4.386 -9.015 15.724 981 2HG LYS 126 HG1 LYS 126 -5.075 -9.289 14.123 982 1HD LYS 126 HD2 LYS 126 -2.913 -9.323 13.097 983 2HD LYS 126 HD1 LYS 126 -2.137 -8.712 14.559 984 1HE LYS 126 HE2 LYS 126 -2.855 -10.798 15.747 985 2HE LYS 126 HE1 LYS 126 -3.466 -11.415 14.211 986 1HZ LYS 126 HZ2 LYS 126 -1.009 -10.681 13.511 987 2HZ LYS 126 HZ1 LYS 126 -0.730 -11.109 15.132 988 3HZ LYS 126 HZ3 LYS 126 -1.395 -12.242 14.059 989 H LEU 127 HN LEU 127 -6.094 -4.824 13.268 990 HA LEU 127 HA LEU 127 -5.066 -2.743 15.062 991 1HB LEU 127 HB2 LEU 127 -5.062 -2.878 12.365 992 2HB LEU 127 HB1 LEU 127 -6.590 -2.021 12.584 993 HG LEU 127 HG LEU 127 -5.344 -0.415 14.111 994 1HD1 LEU 127 HD11 LEU 127 -3.248 -2.316 13.672 995 2HD1 LEU 127 HD13 LEU 127 -2.759 -0.785 12.947 996 3HD1 LEU 127 HD12 LEU 127 -3.206 -0.851 14.651 997 1HD2 LEU 127 HD21 LEU 127 -5.258 -0.669 11.204 998 2HD2 LEU 127 HD23 LEU 127 -5.561 0.759 12.193 999 3HD2 LEU 127 HD22 LEU 127 -3.906 0.277 11.824 1000 H GLY 128 HN GLY 128 -8.071 -4.283 14.438 1001 1HA GLY 128 HA2 GLY 128 -10.259 -3.795 15.139 1002 2HA GLY 128 HA1 GLY 128 -9.465 -3.067 16.535 1003 H MET 129 HN MET 129 -10.881 -2.438 13.399 1004 HA MET 129 HA MET 129 -10.714 0.505 13.943 1005 1HB MET 129 HB2 MET 129 -10.365 -1.108 11.497 1006 2HB MET 129 HB1 MET 129 -11.399 0.309 11.302 1007 1HG MET 129 HG2 MET 129 -9.689 1.795 11.988 1008 2HG MET 129 HG1 MET 129 -8.727 0.495 12.692 1009 1HE MET 129 HE3 MET 129 -7.258 2.222 11.490 1010 2HE MET 129 HE2 MET 129 -6.512 1.828 9.943 1011 3HE MET 129 HE1 MET 129 -7.937 2.861 9.986 Start of MODEL 17 Raw file had 1011 H/Q atoms Start of MODEL 17 1 H ALA 2 HN ALA 2 -14.636 -0.257 9.642 2 HA ALA 2 HA ALA 2 -12.819 1.692 10.542 3 1HB ALA 2 HB3 ALA 2 -12.405 -0.285 8.941 4 2HB ALA 2 HB2 ALA 2 -12.942 0.798 7.658 5 3HB ALA 2 HB1 ALA 2 -11.517 1.204 8.615 6 H ASP 3 HN ASP 3 -12.293 3.796 9.797 7 HA ASP 3 HA ASP 3 -14.335 5.594 9.236 8 1HB ASP 3 HB2 ASP 3 -11.579 5.758 9.476 9 2HB ASP 3 HB1 ASP 3 -11.859 6.278 7.814 10 H LYS 4 HN LYS 4 -15.290 6.419 7.320 11 HA LYS 4 HA LYS 4 -15.057 4.626 4.982 12 1HB LYS 4 HB2 LYS 4 -16.863 7.032 5.274 13 2HB LYS 4 HB1 LYS 4 -17.036 5.693 4.146 14 1HG LYS 4 HG2 LYS 4 -16.904 4.527 6.717 15 2HG LYS 4 HG1 LYS 4 -18.011 5.894 6.854 16 1HD LYS 4 HD2 LYS 4 -18.168 3.716 4.746 17 2HD LYS 4 HD1 LYS 4 -19.203 3.832 6.169 18 1HE LYS 4 HE2 LYS 4 -19.414 6.356 5.043 19 2HE LYS 4 HE1 LYS 4 -19.351 5.298 3.636 20 1HZ LYS 4 HZ1 LYS 4 -21.065 3.912 4.866 21 2HZ LYS 4 HZ3 LYS 4 -21.276 5.256 5.877 22 3HZ LYS 4 HZ2 LYS 4 -21.591 5.389 4.213 23 H GLU 5 HN GLU 5 -13.052 6.837 5.892 24 HA GLU 5 HA GLU 5 -12.563 7.809 3.149 25 1HB GLU 5 HB2 GLU 5 -13.015 9.676 5.495 26 2HB GLU 5 HB1 GLU 5 -12.324 10.174 3.951 27 1HG GLU 5 HG2 GLU 5 -14.424 9.198 2.859 28 2HG GLU 5 HG1 GLU 5 -15.107 9.118 4.484 29 H LEU 6 HN LEU 6 -11.079 5.958 4.638 30 HA LEU 6 HA LEU 6 -8.925 7.197 6.067 31 1HB LEU 6 HB2 LEU 6 -9.595 4.868 6.407 32 2HB LEU 6 HB1 LEU 6 -9.167 4.482 4.748 33 HG LEU 6 HG LEU 6 -6.812 5.037 5.214 34 1HD1 LEU 6 HD12 LEU 6 -8.009 5.823 7.847 35 2HD1 LEU 6 HD11 LEU 6 -6.356 5.210 7.799 36 3HD1 LEU 6 HD13 LEU 6 -6.785 6.657 6.887 37 1HD2 LEU 6 HD22 LEU 6 -8.336 2.992 6.732 38 2HD2 LEU 6 HD21 LEU 6 -7.012 2.789 5.589 39 3HD2 LEU 6 HD23 LEU 6 -6.677 3.273 7.252 40 H LYS 7 HN LYS 7 -6.860 7.798 5.253 41 HA LYS 7 HA LYS 7 -6.817 8.519 2.432 42 1HB LYS 7 HB2 LYS 7 -5.191 9.062 4.827 43 2HB LYS 7 HB1 LYS 7 -4.274 9.001 3.322 44 1HG LYS 7 HG2 LYS 7 -5.635 10.696 2.318 45 2HG LYS 7 HG1 LYS 7 -6.817 10.612 3.624 46 1HD LYS 7 HD2 LYS 7 -5.630 12.037 4.910 47 2HD LYS 7 HD1 LYS 7 -4.134 11.143 4.632 48 1HE LYS 7 HE2 LYS 7 -5.332 13.007 2.571 49 2HE LYS 7 HE1 LYS 7 -4.147 13.536 3.766 50 1HZ LYS 7 HZ1 LYS 7 -3.724 11.278 1.886 51 2HZ LYS 7 HZ3 LYS 7 -3.165 12.857 1.617 52 3HZ LYS 7 HZ2 LYS 7 -2.577 11.963 2.936 53 H PHE 8 HN PHE 8 -5.870 7.442 0.762 54 HA PHE 8 HA PHE 8 -4.074 5.144 1.394 55 1HB PHE 8 HB2 PHE 8 -6.134 5.469 -0.800 56 2HB PHE 8 HB1 PHE 8 -4.939 4.191 -0.775 57 HD1 PHE 8 HD2 PHE 8 -7.820 5.633 1.026 58 HD2 PHE 8 HD1 PHE 8 -5.221 2.255 0.599 59 HE1 PHE 8 HE2 PHE 8 -9.311 4.303 2.479 60 HE2 PHE 8 HE1 PHE 8 -6.719 0.913 2.066 61 HZ PHE 8 HZ PHE 8 -8.767 1.944 3.005 62 H LEU 9 HN LEU 9 -2.274 4.887 0.021 63 HA LEU 9 HA LEU 9 -1.903 7.010 -2.055 64 1HB LEU 9 HB2 LEU 9 -0.477 7.481 -0.048 65 2HB LEU 9 HB1 LEU 9 0.306 5.935 -0.288 66 HG LEU 9 HG LEU 9 0.720 6.794 -2.728 67 1HD1 LEU 9 HD11 LEU 9 0.095 9.345 -1.237 68 2HD1 LEU 9 HD13 LEU 9 1.087 9.304 -2.693 69 3HD1 LEU 9 HD12 LEU 9 -0.591 8.776 -2.758 70 1HD2 LEU 9 HD22 LEU 9 2.477 6.389 -1.052 71 2HD2 LEU 9 HD21 LEU 9 2.823 7.824 -2.016 72 3HD2 LEU 9 HD23 LEU 9 2.194 7.996 -0.379 73 H VAL 10 HN VAL 10 -2.014 5.927 -3.938 74 HA VAL 10 HA VAL 10 -0.969 3.159 -4.082 75 HB VAL 10 HB VAL 10 -1.979 3.467 -6.498 76 1HG1 VAL 10 HG12 VAL 10 -3.428 3.138 -3.878 77 2HG1 VAL 10 HG11 VAL 10 -4.315 3.068 -5.401 78 3HG1 VAL 10 HG13 VAL 10 -3.025 1.909 -5.078 79 1HG2 VAL 10 HG22 VAL 10 -2.270 5.946 -6.153 80 2HG2 VAL 10 HG21 VAL 10 -3.757 5.114 -6.604 81 3HG2 VAL 10 HG23 VAL 10 -3.481 5.581 -4.928 82 H VAL 11 HN VAL 11 1.237 3.215 -4.386 83 HA VAL 11 HA VAL 11 2.352 5.227 -6.229 84 HB VAL 11 HB VAL 11 3.765 3.330 -4.343 85 1HG1 VAL 11 HG12 VAL 11 4.685 5.195 -6.453 86 2HG1 VAL 11 HG11 VAL 11 5.534 5.308 -4.911 87 3HG1 VAL 11 HG13 VAL 11 5.484 3.774 -5.780 88 1HG2 VAL 11 HG22 VAL 11 2.433 5.847 -3.955 89 2HG2 VAL 11 HG21 VAL 11 3.280 4.863 -2.764 90 3HG2 VAL 11 HG23 VAL 11 4.163 6.068 -3.704 91 H ASP 12 HN ASP 12 1.895 4.395 -8.269 92 HA ASP 12 HA ASP 12 3.417 1.950 -9.005 93 1HB ASP 12 HB2 ASP 12 0.761 1.712 -8.587 94 2HB ASP 12 HB1 ASP 12 0.738 2.263 -10.263 95 H ASP 13 HN ASP 13 2.448 1.913 -11.702 96 HA ASP 13 HA ASP 13 3.094 4.629 -12.735 97 1HB ASP 13 HB2 ASP 13 4.386 2.529 -14.294 98 2HB ASP 13 HB1 ASP 13 5.067 4.026 -13.655 99 H PHE 14 HN PHE 14 1.041 2.070 -12.743 100 HA PHE 14 HA PHE 14 0.466 2.109 -15.644 101 1HB PHE 14 HB2 PHE 14 -0.384 0.449 -13.313 102 2HB PHE 14 HB1 PHE 14 -1.506 0.584 -14.668 103 HD1 PHE 14 HD1 PHE 14 -0.470 0.241 -17.057 104 HD2 PHE 14 HD2 PHE 14 1.347 -1.127 -13.413 105 HE1 PHE 14 HE1 PHE 14 0.881 -1.392 -18.344 106 HE2 PHE 14 HE2 PHE 14 2.698 -2.760 -14.700 107 HZ PHE 14 HZ PHE 14 2.465 -2.893 -17.166 108 H SER 15 HN SER 15 -0.424 4.127 -16.086 109 HA SER 15 HA SER 15 -2.095 5.709 -14.530 110 1HB SER 15 HB2 SER 15 -2.046 6.919 -16.428 111 2HB SER 15 HB1 SER 15 -1.408 5.529 -17.302 112 HG SER 15 HG SER 15 -3.688 4.813 -17.342 113 H THR 16 HN THR 16 -2.795 2.598 -15.782 114 HA THR 16 HA THR 16 -5.723 2.992 -15.591 115 HB THR 16 HB THR 16 -5.770 1.359 -17.137 116 HG1 THR 16 HG1 THR 16 -4.188 -0.369 -15.604 117 1HG2 THR 16 HG21 THR 16 -3.514 2.188 -17.755 118 2HG2 THR 16 HG23 THR 16 -2.798 1.022 -16.641 119 3HG2 THR 16 HG22 THR 16 -3.686 0.459 -18.056 120 H MET 17 HN MET 17 -3.077 1.368 -13.900 121 HA MET 17 HA MET 17 -4.585 -0.250 -12.139 122 1HB MET 17 HB2 MET 17 -2.197 -0.484 -12.152 123 2HB MET 17 HB1 MET 17 -1.966 1.215 -11.735 124 1HG MET 17 HG2 MET 17 -2.468 0.882 -9.519 125 2HG MET 17 HG1 MET 17 -3.621 -0.407 -9.866 126 1HE MET 17 HE1 MET 17 -2.682 -1.176 -7.730 127 2HE MET 17 HE3 MET 17 -2.884 -2.708 -8.592 128 3HE MET 17 HE2 MET 17 -1.427 -2.409 -7.647 129 NH1 ARG 18 NH2 ARG 18 -6.848 8.936 -11.746 130 NH2 ARG 18 NH1 ARG 18 -7.021 9.414 -9.544 131 H ARG 18 HN ARG 18 -3.358 3.062 -11.502 132 HA ARG 18 HA ARG 18 -4.542 3.524 -9.032 133 1HB ARG 18 HB2 ARG 18 -3.788 5.606 -9.398 134 2HB ARG 18 HB1 ARG 18 -3.357 5.097 -11.020 135 1HG ARG 18 HG2 ARG 18 -5.623 5.777 -11.809 136 2HG ARG 18 HG1 ARG 18 -5.985 6.362 -10.180 137 1HD ARG 18 HD2 ARG 18 -3.454 7.426 -11.028 138 2HD ARG 18 HD1 ARG 18 -4.668 7.753 -12.265 139 HE ARG 18 HE ARG 18 -4.539 9.007 -9.674 140 1HH1 ARG 18 HH21 ARG 18 -6.309 8.603 -12.520 141 2HH1 ARG 18 HH22 ARG 18 -7.792 9.235 -11.885 142 1HH2 ARG 18 HH11 ARG 18 -6.615 9.448 -8.631 143 2HH2 ARG 18 HH12 ARG 18 -7.965 9.713 -9.684 144 NH1 ARG 19 NH1 ARG 19 -13.135 5.656 -13.801 145 NH2 ARG 19 NH2 ARG 19 -12.854 5.036 -15.957 146 H ARG 19 HN ARG 19 -6.091 3.547 -12.200 147 HA ARG 19 HA ARG 19 -8.535 4.638 -11.185 148 1HB ARG 19 HB2 ARG 19 -8.327 4.925 -13.495 149 2HB ARG 19 HB1 ARG 19 -7.736 3.281 -13.743 150 1HG ARG 19 HG2 ARG 19 -9.883 2.344 -13.542 151 2HG ARG 19 HG1 ARG 19 -10.527 3.763 -12.715 152 1HD ARG 19 HD2 ARG 19 -9.459 4.191 -15.460 153 2HD ARG 19 HD1 ARG 19 -10.970 3.292 -15.330 154 HE ARG 19 HE ARG 19 -10.573 6.074 -14.314 155 1HH1 ARG 19 HH11 ARG 19 -12.748 5.875 -12.906 156 2HH1 ARG 19 HH12 ARG 19 -14.124 5.694 -13.941 157 1HH2 ARG 19 HH21 ARG 19 -12.251 4.779 -16.711 158 2HH2 ARG 19 HH22 ARG 19 -13.843 5.074 -16.097 159 H ILE 20 HN ILE 20 -7.316 1.359 -11.659 160 HA ILE 20 HA ILE 20 -9.794 -0.010 -11.193 161 HB ILE 20 HB ILE 20 -6.915 -0.713 -11.294 162 1HG1 ILE 20 HG12 ILE 20 -7.754 -2.481 -12.730 163 2HG1 ILE 20 HG11 ILE 20 -9.406 -2.191 -12.191 164 1HG2 ILE 20 HG23 ILE 20 -8.904 -2.319 -9.664 165 2HG2 ILE 20 HG22 ILE 20 -7.452 -3.026 -10.366 166 3HG2 ILE 20 HG21 ILE 20 -7.309 -1.746 -9.165 167 1HD1 ILE 20 HD12 ILE 20 -7.973 0.159 -13.299 168 2HD1 ILE 20 HD11 ILE 20 -8.384 -1.107 -14.450 169 3HD1 ILE 20 HD13 ILE 20 -9.652 -0.332 -13.503 170 H VAL 21 HN VAL 21 -7.060 0.641 -8.963 171 HA VAL 21 HA VAL 21 -8.370 -0.373 -6.653 172 HB VAL 21 HB VAL 21 -6.699 1.761 -5.822 173 1HG1 VAL 21 HG11 VAL 21 -6.236 -1.217 -6.164 174 2HG1 VAL 21 HG13 VAL 21 -5.182 -0.150 -5.238 175 3HG1 VAL 21 HG12 VAL 21 -6.849 -0.405 -4.724 176 1HG2 VAL 21 HG23 VAL 21 -5.973 1.876 -8.209 177 2HG2 VAL 21 HG22 VAL 21 -4.673 1.366 -7.133 178 3HG2 VAL 21 HG21 VAL 21 -5.517 0.176 -8.125 179 NH1 ARG 22 NH2 ARG 22 -10.416 9.269 -10.726 180 NH2 ARG 22 NH1 ARG 22 -12.448 8.706 -9.915 181 H ARG 22 HN ARG 22 -8.525 2.783 -8.214 182 HA ARG 22 HA ARG 22 -9.698 4.348 -6.204 183 1HB ARG 22 HB2 ARG 22 -9.658 4.336 -9.129 184 2HB ARG 22 HB1 ARG 22 -11.154 5.004 -8.481 185 1HG ARG 22 HG2 ARG 22 -9.846 6.533 -7.042 186 2HG ARG 22 HG1 ARG 22 -8.353 5.879 -7.714 187 1HD ARG 22 HD2 ARG 22 -8.554 7.581 -9.213 188 2HD ARG 22 HD1 ARG 22 -9.717 6.513 -9.996 189 HE ARG 22 HE ARG 22 -10.863 8.229 -7.910 190 1HH1 ARG 22 HH21 ARG 22 -9.418 9.245 -10.657 191 2HH1 ARG 22 HH22 ARG 22 -10.853 9.748 -11.487 192 1HH2 ARG 22 HH11 ARG 22 -13.009 8.251 -9.223 193 2HH2 ARG 22 HH12 ARG 22 -12.885 9.185 -10.676 194 H ASN 23 HN ASN 23 -11.406 2.293 -8.576 195 HA ASN 23 HA ASN 23 -14.003 2.604 -7.425 196 1HB ASN 23 HB2 ASN 23 -12.847 1.445 -9.660 197 2HB ASN 23 HB1 ASN 23 -13.439 0.077 -8.757 198 1HD2 ASN 23 HD21 ASN 23 -15.789 1.026 -7.607 199 2HD2 ASN 23 HD22 ASN 23 -16.884 1.507 -8.811 200 H LEU 24 HN LEU 24 -11.777 -0.144 -7.427 201 HA LEU 24 HA LEU 24 -12.991 -1.922 -5.735 202 1HB LEU 24 HB2 LEU 24 -10.640 -1.922 -6.865 203 2HB LEU 24 HB1 LEU 24 -10.097 -1.202 -5.366 204 HG LEU 24 HG LEU 24 -11.738 -3.571 -4.857 205 1HD1 LEU 24 HD13 LEU 24 -9.328 -3.854 -6.664 206 2HD1 LEU 24 HD12 LEU 24 -10.038 -5.194 -5.765 207 3HD1 LEU 24 HD11 LEU 24 -10.981 -4.366 -7.004 208 1HD2 LEU 24 HD21 LEU 24 -8.978 -2.602 -4.123 209 2HD2 LEU 24 HD23 LEU 24 -10.332 -3.020 -3.078 210 3HD2 LEU 24 HD22 LEU 24 -9.398 -4.288 -3.864 211 H LEU 25 HN LEU 25 -11.108 0.920 -4.694 212 HA LEU 25 HA LEU 25 -11.560 0.430 -1.860 213 1HB LEU 25 HB2 LEU 25 -10.380 2.606 -3.534 214 2HB LEU 25 HB1 LEU 25 -10.923 3.036 -1.915 215 HG LEU 25 HG LEU 25 -9.256 0.572 -2.260 216 1HD1 LEU 25 HD12 LEU 25 -8.328 3.428 -2.483 217 2HD1 LEU 25 HD11 LEU 25 -7.273 2.197 -1.789 218 3HD1 LEU 25 HD13 LEU 25 -7.849 2.031 -3.447 219 1HD2 LEU 25 HD23 LEU 25 -10.337 1.319 -0.080 220 2HD2 LEU 25 HD22 LEU 25 -8.592 1.083 -0.007 221 3HD2 LEU 25 HD21 LEU 25 -9.258 2.711 -0.116 222 H LYS 26 HN LYS 26 -13.053 2.519 -4.324 223 HA LYS 26 HA LYS 26 -14.857 3.827 -2.571 224 1HB LYS 26 HB2 LYS 26 -14.377 4.547 -4.917 225 2HB LYS 26 HB1 LYS 26 -15.301 3.159 -5.491 226 1HG LYS 26 HG2 LYS 26 -16.878 4.521 -3.529 227 2HG LYS 26 HG1 LYS 26 -16.285 5.716 -4.684 228 1HD LYS 26 HD2 LYS 26 -17.177 4.437 -6.547 229 2HD LYS 26 HD1 LYS 26 -17.638 3.119 -5.470 230 1HE LYS 26 HE2 LYS 26 -19.397 4.985 -6.219 231 2HE LYS 26 HE1 LYS 26 -19.447 4.261 -4.613 232 1HZ LYS 26 HZ1 LYS 26 -17.917 6.722 -5.225 233 2HZ LYS 26 HZ3 LYS 26 -19.523 6.749 -4.684 234 3HZ LYS 26 HZ2 LYS 26 -18.307 6.091 -3.697 235 H GLU 27 HN GLU 27 -14.911 0.647 -4.059 236 HA GLU 27 HA GLU 27 -17.671 0.099 -3.831 237 1HB GLU 27 HB2 GLU 27 -16.381 -1.470 -5.054 238 2HB GLU 27 HB1 GLU 27 -15.226 -1.665 -3.735 239 1HG GLU 27 HG2 GLU 27 -16.962 -3.545 -4.069 240 2HG GLU 27 HG1 GLU 27 -16.753 -2.924 -2.432 241 H LEU 28 HN LEU 28 -15.062 -0.052 -1.455 242 HA LEU 28 HA LEU 28 -16.801 -1.226 0.586 243 1HB LEU 28 HB2 LEU 28 -14.148 -1.309 0.316 244 2HB LEU 28 HB1 LEU 28 -14.239 0.167 1.268 245 HG LEU 28 HG LEU 28 -13.971 -1.695 2.790 246 1HD1 LEU 28 HD13 LEU 28 -15.638 0.185 3.295 247 2HD1 LEU 28 HD12 LEU 28 -16.903 -0.977 2.899 248 3HD1 LEU 28 HD11 LEU 28 -15.805 -1.293 4.242 249 1HD2 LEU 28 HD23 LEU 28 -15.468 -3.122 0.896 250 2HD2 LEU 28 HD22 LEU 28 -14.894 -3.727 2.448 251 3HD2 LEU 28 HD21 LEU 28 -16.511 -3.038 2.314 252 H GLY 29 HN GLY 29 -15.090 1.892 0.344 253 1HA GLY 29 HA2 GLY 29 -17.082 3.702 0.700 254 2HA GLY 29 HA1 GLY 29 -16.849 3.072 2.327 255 H PHE 30 HN PHE 30 -14.995 4.483 -0.382 256 HA PHE 30 HA PHE 30 -13.477 6.064 1.601 257 1HB PHE 30 HB2 PHE 30 -12.210 4.061 -0.284 258 2HB PHE 30 HB1 PHE 30 -11.305 5.357 0.492 259 HD1 PHE 30 HD2 PHE 30 -11.689 5.578 3.071 260 HD2 PHE 30 HD1 PHE 30 -12.384 2.001 0.818 261 HE1 PHE 30 HE2 PHE 30 -11.465 4.236 5.143 262 HE2 PHE 30 HE1 PHE 30 -12.175 0.651 2.888 263 HZ PHE 30 HZ PHE 30 -11.716 1.769 5.055 264 H ASN 31 HN ASN 31 -12.663 7.995 0.718 265 HA ASN 31 HA ASN 31 -12.771 8.380 -2.203 266 1HB ASN 31 HB2 ASN 31 -14.981 9.063 -0.630 267 2HB ASN 31 HB1 ASN 31 -14.160 10.596 -0.897 268 1HD2 ASN 31 HD22 ASN 31 -16.197 8.905 -3.922 269 2HD2 ASN 31 HD21 ASN 31 -16.264 8.319 -2.331 270 H ASN 32 HN ASN 32 -10.419 8.378 -1.182 271 HA ASN 32 HA ASN 32 -9.413 11.064 -1.379 272 1HB ASN 32 HB2 ASN 32 -10.417 10.628 1.117 273 2HB ASN 32 HB1 ASN 32 -8.762 10.057 1.335 274 1HD2 ASN 32 HD22 ASN 32 -7.407 13.306 1.351 275 2HD2 ASN 32 HD21 ASN 32 -7.165 11.647 1.615 276 H VAL 33 HN VAL 33 -7.835 10.250 -2.762 277 HA VAL 33 HA VAL 33 -5.731 8.608 -1.491 278 HB VAL 33 HB VAL 33 -7.049 6.857 -2.408 279 1HG1 VAL 33 HG13 VAL 33 -7.322 8.643 -4.838 280 2HG1 VAL 33 HG12 VAL 33 -7.890 6.976 -4.768 281 3HG1 VAL 33 HG11 VAL 33 -8.598 8.193 -3.706 282 1HG2 VAL 33 HG21 VAL 33 -4.547 7.057 -3.160 283 2HG2 VAL 33 HG23 VAL 33 -5.585 5.876 -3.955 284 3HG2 VAL 33 HG22 VAL 33 -5.233 7.415 -4.743 285 H GLU 34 HN GLU 34 -3.695 8.724 -2.592 286 HA GLU 34 HA GLU 34 -3.571 10.819 -4.729 287 1HB GLU 34 HB2 GLU 34 -2.062 10.501 -2.202 288 2HB GLU 34 HB1 GLU 34 -1.090 10.899 -3.621 289 1HG GLU 34 HG2 GLU 34 -3.630 12.398 -2.996 290 2HG GLU 34 HG1 GLU 34 -2.093 12.870 -2.276 291 H GLU 35 HN GLU 35 -1.037 10.498 -5.629 292 HA GLU 35 HA GLU 35 -0.618 7.598 -6.100 293 1HB GLU 35 HB2 GLU 35 -0.720 9.502 -8.439 294 2HB GLU 35 HB1 GLU 35 -0.747 7.741 -8.461 295 1HG GLU 35 HG2 GLU 35 -2.987 8.397 -8.897 296 2HG GLU 35 HG1 GLU 35 -2.980 7.918 -7.204 297 H ALA 36 HN ALA 36 1.460 7.106 -6.963 298 HA ALA 36 HA ALA 36 3.408 9.297 -7.288 299 1HB ALA 36 HB3 ALA 36 3.165 7.883 -4.816 300 2HB ALA 36 HB2 ALA 36 4.661 7.367 -5.592 301 3HB ALA 36 HB1 ALA 36 4.381 9.075 -5.270 302 H GLU 37 HN GLU 37 5.719 7.868 -7.519 303 HA GLU 37 HA GLU 37 5.108 5.474 -9.164 304 1HB GLU 37 HB2 GLU 37 6.910 6.647 -10.789 305 2HB GLU 37 HB1 GLU 37 5.170 6.851 -10.987 306 1HG GLU 37 HG2 GLU 37 5.184 8.950 -9.855 307 2HG GLU 37 HG1 GLU 37 6.823 8.693 -9.253 308 H ASP 38 HN ASP 38 6.823 6.620 -6.681 309 HA ASP 38 HA ASP 38 8.749 4.514 -6.704 310 1HB ASP 38 HB2 ASP 38 9.935 5.703 -8.446 311 2HB ASP 38 HB1 ASP 38 9.782 7.230 -7.578 312 H GLY 39 HN GLY 39 10.383 4.851 -4.874 313 1HA GLY 39 HA2 GLY 39 9.022 5.815 -2.546 314 2HA GLY 39 HA1 GLY 39 10.728 5.376 -2.606 315 H VAL 40 HN VAL 40 11.125 7.350 -4.875 316 HA VAL 40 HA VAL 40 11.792 9.638 -3.215 317 HB VAL 40 HB VAL 40 11.871 9.150 -6.200 318 1HG1 VAL 40 HG12 VAL 40 12.275 11.667 -4.621 319 2HG1 VAL 40 HG11 VAL 40 13.280 11.375 -6.041 320 3HG1 VAL 40 HG13 VAL 40 11.527 11.450 -6.202 321 1HG2 VAL 40 HG21 VAL 40 13.550 8.153 -4.464 322 2HG2 VAL 40 HG23 VAL 40 14.197 8.943 -5.903 323 3HG2 VAL 40 HG22 VAL 40 14.169 9.801 -4.363 324 H ASP 41 HN ASP 41 9.301 8.899 -5.621 325 HA ASP 41 HA ASP 41 8.074 11.515 -5.554 326 1HB ASP 41 HB2 ASP 41 7.810 9.585 -7.292 327 2HB ASP 41 HB1 ASP 41 6.602 8.961 -6.175 328 H ALA 42 HN ALA 42 7.407 8.410 -3.960 329 HA ALA 42 HA ALA 42 5.163 9.356 -2.430 330 1HB ALA 42 HB1 ALA 42 6.502 6.907 -2.808 331 2HB ALA 42 HB3 ALA 42 6.652 7.259 -1.088 332 3HB ALA 42 HB2 ALA 42 5.059 7.178 -1.834 333 H LEU 43 HN LEU 43 8.653 9.189 -1.793 334 HA LEU 43 HA LEU 43 8.611 9.932 0.942 335 1HB LEU 43 HB2 LEU 43 10.673 9.188 -0.096 336 2HB LEU 43 HB1 LEU 43 10.641 10.534 -1.231 337 HG LEU 43 HG LEU 43 10.989 12.129 0.583 338 1HD1 LEU 43 HD13 LEU 43 10.531 9.681 2.270 339 2HD1 LEU 43 HD12 LEU 43 11.524 10.999 2.893 340 3HD1 LEU 43 HD11 LEU 43 9.843 11.296 2.447 341 1HD2 LEU 43 HD22 LEU 43 12.834 10.182 -0.246 342 2HD2 LEU 43 HD21 LEU 43 13.205 11.728 0.518 343 3HD2 LEU 43 HD23 LEU 43 13.026 10.278 1.505 344 H ASN 44 HN ASN 44 8.432 11.917 -1.993 345 HA ASN 44 HA ASN 44 8.420 14.398 -0.408 346 1HB ASN 44 HB2 ASN 44 8.439 13.701 -3.312 347 2HB ASN 44 HB1 ASN 44 7.792 15.275 -2.848 348 1HD2 ASN 44 HD22 ASN 44 11.796 14.568 -2.556 349 2HD2 ASN 44 HD21 ASN 44 10.726 13.322 -2.989 350 H LYS 45 HN LYS 45 6.111 12.364 -2.143 351 HA LYS 45 HA LYS 45 3.929 14.278 -1.605 352 1HB LYS 45 HB2 LYS 45 4.199 11.729 -3.163 353 2HB LYS 45 HB1 LYS 45 2.593 12.260 -2.671 354 1HG LYS 45 HG2 LYS 45 4.518 14.143 -4.038 355 2HG LYS 45 HG1 LYS 45 3.476 13.070 -4.970 356 1HD LYS 45 HD2 LYS 45 1.665 14.368 -4.607 357 2HD LYS 45 HD1 LYS 45 1.993 14.477 -2.878 358 1HE LYS 45 HE2 LYS 45 2.091 16.680 -4.156 359 2HE LYS 45 HE1 LYS 45 3.514 16.297 -3.184 360 1HZ LYS 45 HZ3 LYS 45 3.614 15.243 -5.858 361 2HZ LYS 45 HZ2 LYS 45 3.546 16.939 -5.805 362 3HZ LYS 45 HZ1 LYS 45 4.785 16.109 -4.990 363 H LEU 46 HN LEU 46 4.588 10.835 -0.822 364 HA LEU 46 HA LEU 46 2.441 10.416 0.902 365 1HB LEU 46 HB2 LEU 46 4.326 8.795 0.171 366 2HB LEU 46 HB1 LEU 46 5.197 9.379 1.582 367 HG LEU 46 HG LEU 46 2.367 8.511 2.038 368 1HD1 LEU 46 HD11 LEU 46 4.304 6.719 0.833 369 2HD1 LEU 46 HD13 LEU 46 3.892 6.206 2.463 370 3HD1 LEU 46 HD12 LEU 46 2.624 6.434 1.267 371 1HD2 LEU 46 HD22 LEU 46 4.255 9.364 3.711 372 2HD2 LEU 46 HD21 LEU 46 3.103 8.122 4.188 373 3HD2 LEU 46 HD23 LEU 46 4.722 7.667 3.663 374 H GLN 47 HN GLN 47 5.314 12.323 1.443 375 HA GLN 47 HA GLN 47 5.068 12.501 4.316 376 1HB GLN 47 HB2 GLN 47 7.161 13.074 3.119 377 2HB GLN 47 HB1 GLN 47 6.345 14.440 2.358 378 1HG GLN 47 HG2 GLN 47 6.048 14.388 5.279 379 2HG GLN 47 HG1 GLN 47 7.720 14.547 4.746 380 1HE2 GLN 47 HE21 GLN 47 7.828 16.820 5.378 381 2HE2 GLN 47 HE22 GLN 47 7.000 18.019 4.507 382 H ALA 48 HN ALA 48 2.866 13.288 2.150 383 HA ALA 48 HA ALA 48 2.094 15.931 2.394 384 1HB ALA 48 HB3 ALA 48 0.910 14.053 1.122 385 2HB ALA 48 HB2 ALA 48 0.111 13.664 2.647 386 3HB ALA 48 HB1 ALA 48 -0.134 15.243 1.899 387 H GLY 49 HN GLY 49 0.655 13.399 4.506 388 1HA GLY 49 HA2 GLY 49 1.172 15.062 6.872 389 2HA GLY 49 HA1 GLY 49 -0.528 14.979 6.411 390 H GLY 50 HN GLY 50 1.378 12.191 5.697 391 1HA GLY 50 HA2 GLY 50 1.705 10.208 7.040 392 2HA GLY 50 HA1 GLY 50 0.578 10.859 8.232 393 OH TYR 51 OH TYR 51 -1.334 11.786 -0.368 394 H TYR 51 HN TYR 51 0.887 8.971 5.364 395 HA TYR 51 HA TYR 51 -1.950 9.003 4.710 396 1HB TYR 51 HB2 TYR 51 0.481 7.589 3.710 397 2HB TYR 51 HB1 TYR 51 -1.104 6.911 3.326 398 HD1 TYR 51 HD2 TYR 51 0.959 10.002 3.139 399 HD2 TYR 51 HD1 TYR 51 -2.529 7.927 1.739 400 HE1 TYR 51 HE2 TYR 51 0.617 11.742 1.404 401 HE2 TYR 51 HE1 TYR 51 -2.872 9.668 0.005 402 HH TYR 51 HH TYR 51 -0.472 12.029 -0.716 403 H GLY 52 HN GLY 52 -3.348 8.070 6.085 404 1HA GLY 52 HA2 GLY 52 -2.789 6.142 8.054 405 2HA GLY 52 HA1 GLY 52 -4.373 6.392 7.349 406 H PHE 53 HN PHE 53 -2.887 5.787 4.649 407 HA PHE 53 HA PHE 53 -2.425 2.890 4.934 408 1HB PHE 53 HB2 PHE 53 -5.002 3.818 4.440 409 2HB PHE 53 HB1 PHE 53 -4.401 3.363 2.853 410 HD1 PHE 53 HD2 PHE 53 -4.891 2.140 6.325 411 HD2 PHE 53 HD1 PHE 53 -4.139 1.078 2.246 412 HE1 PHE 53 HE2 PHE 53 -5.309 -0.221 6.869 413 HE2 PHE 53 HE1 PHE 53 -4.569 -1.288 2.772 414 HZ PHE 53 HZ PHE 53 -5.147 -1.958 5.097 415 H VAL 54 HN VAL 54 -1.275 2.039 3.156 416 HA VAL 54 HA VAL 54 -0.824 3.844 0.822 417 HB VAL 54 HB VAL 54 1.364 2.557 2.436 418 1HG1 VAL 54 HG11 VAL 54 1.279 3.832 -0.246 419 2HG1 VAL 54 HG13 VAL 54 2.677 4.179 0.769 420 3HG1 VAL 54 HG12 VAL 54 2.291 2.517 0.340 421 1HG2 VAL 54 HG21 VAL 54 0.655 5.472 2.026 422 2HG2 VAL 54 HG23 VAL 54 0.441 4.564 3.521 423 3HG2 VAL 54 HG22 VAL 54 2.060 4.878 2.911 424 H ILE 55 HN ILE 55 -1.194 2.670 -0.941 425 HA ILE 55 HA ILE 55 -0.727 -0.281 -0.850 426 HB ILE 55 HB ILE 55 -2.227 1.347 -2.944 427 1HG1 ILE 55 HG12 ILE 55 -3.408 -0.293 -0.681 428 2HG1 ILE 55 HG11 ILE 55 -3.232 1.459 -0.610 429 1HG2 ILE 55 HG23 ILE 55 -1.395 -0.869 -3.666 430 2HG2 ILE 55 HG22 ILE 55 -2.201 -1.611 -2.284 431 3HG2 ILE 55 HG21 ILE 55 -3.156 -0.851 -3.556 432 1HD1 ILE 55 HD13 ILE 55 -4.498 0.486 -3.084 433 2HD1 ILE 55 HD12 ILE 55 -5.429 0.161 -1.622 434 3HD1 ILE 55 HD11 ILE 55 -4.969 1.814 -2.025 435 H SER 56 HN SER 56 1.631 0.248 -1.037 436 HA SER 56 HA SER 56 2.516 1.563 -3.501 437 1HB SER 56 HB2 SER 56 4.809 0.652 -2.487 438 2HB SER 56 HB1 SER 56 4.012 2.079 -1.834 439 HG SER 56 HG SER 56 3.768 1.018 -0.049 440 H ASP 57 HN ASP 57 3.714 0.557 -5.163 441 HA ASP 57 HA ASP 57 3.082 -2.318 -5.506 442 1HB ASP 57 HB2 ASP 57 2.531 -0.780 -7.353 443 2HB ASP 57 HB1 ASP 57 4.222 -0.284 -7.448 444 CH2 TRP 58 CH2 TRP 58 10.440 -5.575 -1.613 445 H TRP 58 HN TRP 58 4.970 -3.460 -6.833 446 HA TRP 58 HA TRP 58 7.509 -3.003 -5.306 447 1HB TRP 58 HB2 TRP 58 6.189 -5.162 -4.942 448 2HB TRP 58 HB1 TRP 58 6.610 -5.586 -6.599 449 HD1 TRP 58 HD1 TRP 58 9.042 -6.371 -7.085 450 HE1 TRP 58 HE1 TRP 58 11.064 -6.922 -5.583 451 HE3 TRP 58 HE3 TRP 58 7.407 -4.421 -2.658 452 HZ2 TRP 58 HZ2 TRP 58 11.876 -6.590 -2.853 453 HZ3 TRP 58 HZ3 TRP 58 8.824 -4.549 -0.630 454 HH2 TRP 58 HH2 TRP 58 11.052 -5.626 -0.728 455 H ASN 59 HN ASN 59 7.074 -1.495 -7.611 456 HA ASN 59 HA ASN 59 8.014 -2.757 -9.997 457 1HB ASN 59 HB2 ASN 59 8.523 -0.362 -10.711 458 2HB ASN 59 HB1 ASN 59 6.862 -0.659 -10.204 459 1HD2 ASN 59 HD22 ASN 59 8.714 0.820 -6.960 460 2HD2 ASN 59 HD21 ASN 59 8.978 -0.758 -7.527 461 H MET 60 HN MET 60 10.201 -0.892 -10.692 462 HA MET 60 HA MET 60 12.274 -1.344 -8.699 463 1HB MET 60 HB2 MET 60 13.652 -2.797 -10.258 464 2HB MET 60 HB1 MET 60 12.246 -3.581 -9.536 465 1HG MET 60 HG2 MET 60 12.002 -2.203 -12.201 466 2HG MET 60 HG1 MET 60 12.647 -3.842 -12.106 467 1HE MET 60 HE1 MET 60 11.123 -5.348 -13.092 468 2HE MET 60 HE3 MET 60 11.364 -5.929 -11.438 469 3HE MET 60 HE2 MET 60 9.762 -5.985 -12.170 470 HA PRO 61 HA PRO 61 13.016 2.015 -11.940 471 1HB PRO 61 HB2 PRO 61 13.246 3.880 -9.761 472 2HB PRO 61 HB1 PRO 61 12.018 3.861 -11.033 473 1HG PRO 61 HG2 PRO 61 11.685 3.166 -8.251 474 2HG PRO 61 HG1 PRO 61 10.459 3.167 -9.525 475 1HD PRO 61 HD2 PRO 61 11.678 0.883 -8.265 476 2HD PRO 61 HD1 PRO 61 10.471 0.903 -9.564 477 H ASN 62 HN ASN 62 14.130 1.421 -8.657 478 HA ASN 62 HA ASN 62 16.934 1.215 -9.564 479 1HB ASN 62 HB2 ASN 62 16.911 2.627 -7.054 480 2HB ASN 62 HB1 ASN 62 17.626 3.135 -8.585 481 1HD2 ASN 62 HD22 ASN 62 14.892 5.240 -9.475 482 2HD2 ASN 62 HD21 ASN 62 16.262 4.427 -10.059 483 H MET 63 HN MET 63 14.321 0.636 -7.421 484 HA MET 63 HA MET 63 15.644 -1.762 -6.337 485 1HB MET 63 HB2 MET 63 15.098 0.683 -4.762 486 2HB MET 63 HB1 MET 63 14.478 -0.804 -4.044 487 1HG MET 63 HG2 MET 63 16.713 -1.837 -4.255 488 2HG MET 63 HG1 MET 63 17.333 -0.345 -4.961 489 1HE MET 63 HE3 MET 63 18.311 -2.035 -2.509 490 2HE MET 63 HE2 MET 63 17.954 -1.405 -0.904 491 3HE MET 63 HE1 MET 63 16.733 -2.335 -1.768 492 H ASP 64 HN ASP 64 12.839 -0.014 -5.085 493 HA ASP 64 HA ASP 64 10.752 -0.988 -6.636 494 1HB ASP 64 HB2 ASP 64 9.897 -2.906 -5.206 495 2HB ASP 64 HB1 ASP 64 11.295 -3.296 -6.191 496 H GLY 65 HN GLY 65 10.132 -1.965 -3.424 497 1HA GLY 65 HA2 GLY 65 9.349 0.792 -2.608 498 2HA GLY 65 HA1 GLY 65 8.135 -0.483 -2.570 499 H LEU 66 HN LEU 66 11.364 -1.458 -1.845 500 HA LEU 66 HA LEU 66 10.562 -2.101 0.896 501 1HB LEU 66 HB2 LEU 66 12.095 -3.548 -0.564 502 2HB LEU 66 HB1 LEU 66 13.340 -2.333 -0.297 503 HG LEU 66 HG LEU 66 13.089 -2.649 2.164 504 1HD1 LEU 66 HD12 LEU 66 10.889 -4.391 1.232 505 2HD1 LEU 66 HD11 LEU 66 11.900 -5.087 2.496 506 3HD1 LEU 66 HD13 LEU 66 11.083 -3.548 2.766 507 1HD2 LEU 66 HD23 LEU 66 14.810 -3.894 0.907 508 2HD2 LEU 66 HD22 LEU 66 14.187 -4.859 2.245 509 3HD2 LEU 66 HD21 LEU 66 13.649 -5.186 0.598 510 H GLU 67 HN GLU 67 13.143 -0.106 -0.584 511 HA GLU 67 HA GLU 67 14.098 1.123 1.753 512 1HB GLU 67 HB2 GLU 67 14.932 1.436 -0.657 513 2HB GLU 67 HB1 GLU 67 13.646 2.631 -0.834 514 1HG GLU 67 HG2 GLU 67 15.430 3.969 -0.146 515 2HG GLU 67 HG1 GLU 67 14.640 3.615 1.391 516 H LEU 68 HN LEU 68 11.058 1.414 0.155 517 HA LEU 68 HA LEU 68 10.252 3.958 1.305 518 1HB LEU 68 HB2 LEU 68 9.056 1.820 -0.329 519 2HB LEU 68 HB1 LEU 68 7.923 2.573 0.778 520 HG LEU 68 HG LEU 68 9.721 4.240 -0.939 521 1HD1 LEU 68 HD12 LEU 68 7.408 2.598 -1.755 522 2HD1 LEU 68 HD11 LEU 68 7.289 4.293 -2.218 523 3HD1 LEU 68 HD13 LEU 68 8.669 3.330 -2.746 524 1HD2 LEU 68 HD21 LEU 68 8.057 4.889 1.108 525 2HD2 LEU 68 HD23 LEU 68 8.412 5.977 -0.233 526 3HD2 LEU 68 HD22 LEU 68 6.941 5.004 -0.254 527 H LEU 69 HN LEU 69 9.222 0.589 1.984 528 HA LEU 69 HA LEU 69 7.801 0.993 4.361 529 1HB LEU 69 HB2 LEU 69 8.895 -1.189 3.004 530 2HB LEU 69 HB1 LEU 69 9.641 -1.251 4.596 531 HG LEU 69 HG LEU 69 6.663 -1.075 4.074 532 1HD1 LEU 69 HD11 LEU 69 8.485 -3.303 4.032 533 2HD1 LEU 69 HD13 LEU 69 7.411 -3.464 5.421 534 3HD1 LEU 69 HD12 LEU 69 6.736 -3.310 3.800 535 1HD2 LEU 69 HD21 LEU 69 8.240 -0.597 6.441 536 2HD2 LEU 69 HD23 LEU 69 6.487 -0.547 6.263 537 3HD2 LEU 69 HD22 LEU 69 7.288 -2.062 6.672 538 H LYS 70 HN LYS 70 11.255 0.128 4.180 539 HA LYS 70 HA LYS 70 12.081 0.465 6.782 540 1HB LYS 70 HB2 LYS 70 13.599 -0.121 4.912 541 2HB LYS 70 HB1 LYS 70 13.536 1.549 4.348 542 1HG LYS 70 HG2 LYS 70 14.548 2.337 6.419 543 2HG LYS 70 HG1 LYS 70 14.503 0.708 7.096 544 1HD LYS 70 HD2 LYS 70 15.966 -0.048 5.190 545 2HD LYS 70 HD1 LYS 70 16.125 1.643 4.714 546 1HE LYS 70 HE2 LYS 70 17.321 0.207 7.017 547 2HE LYS 70 HE1 LYS 70 17.950 1.570 6.090 548 1HZ LYS 70 HZ2 LYS 70 16.208 2.947 7.198 549 2HZ LYS 70 HZ1 LYS 70 15.894 1.630 8.224 550 3HZ LYS 70 HZ3 LYS 70 17.421 2.367 8.237 551 H THR 71 HN THR 71 11.720 3.137 4.413 552 HA THR 71 HA THR 71 12.403 5.225 6.244 553 HB THR 71 HB THR 71 10.460 6.283 4.511 554 HG1 THR 71 HG1 THR 71 10.971 5.343 2.548 555 1HG2 THR 71 HG23 THR 71 12.647 7.271 5.084 556 2HG2 THR 71 HG22 THR 71 13.457 6.025 4.133 557 3HG2 THR 71 HG21 THR 71 12.416 7.206 3.337 558 H ILE 72 HN ILE 72 9.238 3.853 5.310 559 HA ILE 72 HA ILE 72 7.646 5.431 7.058 560 HB ILE 72 HB ILE 72 7.289 2.584 6.068 561 1HG1 ILE 72 HG12 ILE 72 5.483 4.765 5.212 562 2HG1 ILE 72 HG11 ILE 72 7.154 4.963 4.693 563 1HG2 ILE 72 HG21 ILE 72 5.727 4.215 7.982 564 2HG2 ILE 72 HG23 ILE 72 4.786 3.446 6.709 565 3HG2 ILE 72 HG22 ILE 72 5.783 2.465 7.780 566 1HD1 ILE 72 HD13 ILE 72 5.820 2.290 4.322 567 2HD1 ILE 72 HD12 ILE 72 5.462 3.594 3.195 568 3HD1 ILE 72 HD11 ILE 72 7.118 3.027 3.386 569 NH1 ARG 73 NH1 ARG 73 14.660 -0.178 10.111 570 NH2 ARG 73 NH2 ARG 73 14.101 -1.439 8.320 571 H ARG 73 HN ARG 73 9.828 2.795 7.637 572 HA ARG 73 HA ARG 73 8.807 2.315 10.364 573 1HB ARG 73 HB2 ARG 73 9.647 0.436 8.945 574 2HB ARG 73 HB1 ARG 73 11.249 1.173 8.978 575 1HG ARG 73 HG2 ARG 73 10.339 1.051 11.667 576 2HG ARG 73 HG1 ARG 73 10.028 -0.527 10.943 577 1HD ARG 73 HD2 ARG 73 12.673 0.952 11.000 578 2HD ARG 73 HD1 ARG 73 12.277 -0.542 11.851 579 HE ARG 73 HE ARG 73 11.826 -1.239 9.247 580 1HH1 ARG 73 HH11 ARG 73 14.394 0.320 10.937 581 2HH1 ARG 73 HH12 ARG 73 15.620 -0.208 9.833 582 1HH2 ARG 73 HH21 ARG 73 13.407 -1.906 7.773 583 2HH2 ARG 73 HH22 ARG 73 15.062 -1.468 8.042 584 H ALA 74 HN ALA 74 11.394 4.044 8.741 585 HA ALA 74 HA ALA 74 13.221 4.393 10.854 586 1HB ALA 74 HB1 ALA 74 12.407 6.116 8.531 587 2HB ALA 74 HB3 ALA 74 13.527 6.748 9.736 588 3HB ALA 74 HB2 ALA 74 13.941 5.299 8.822 589 H ASP 75 HN ASP 75 10.111 5.952 10.295 590 HA ASP 75 HA ASP 75 10.405 8.009 12.280 591 1HB ASP 75 HB2 ASP 75 8.111 6.742 10.835 592 2HB ASP 75 HB1 ASP 75 7.760 7.708 12.269 593 H GLY 76 HN GLY 76 11.064 7.310 14.300 594 1HA GLY 76 HA2 GLY 76 10.028 4.861 15.491 595 2HA GLY 76 HA1 GLY 76 11.067 6.040 16.292 596 H ALA 77 HN ALA 77 7.813 6.314 14.823 597 HA ALA 77 HA ALA 77 6.609 6.796 17.455 598 1HB ALA 77 HB1 ALA 77 6.840 9.004 15.389 599 2HB ALA 77 HB3 ALA 77 5.757 9.063 16.780 600 3HB ALA 77 HB2 ALA 77 7.503 9.012 17.024 601 H MET 78 HN MET 78 5.753 7.844 14.147 602 HA MET 78 HA MET 78 3.214 6.312 14.409 603 1HB MET 78 HB2 MET 78 3.733 8.870 13.485 604 2HB MET 78 HB1 MET 78 3.572 7.938 11.995 605 1HG MET 78 HG2 MET 78 1.423 7.005 12.861 606 2HG MET 78 HG1 MET 78 1.569 8.060 14.267 607 1HE MET 78 HE3 MET 78 -0.767 8.320 13.444 608 2HE MET 78 HE2 MET 78 -0.480 9.978 13.967 609 3HE MET 78 HE1 MET 78 -1.283 9.673 12.428 610 H SER 79 HN SER 79 5.932 5.161 13.762 611 HA SER 79 HA SER 79 6.007 4.459 10.981 612 1HB SER 79 HB2 SER 79 8.035 3.923 11.877 613 2HB SER 79 HB1 SER 79 7.354 3.597 13.468 614 HG SER 79 HG SER 79 8.197 1.763 12.121 615 H ALA 80 HN ALA 80 3.574 3.826 13.008 616 HA ALA 80 HA ALA 80 3.187 0.989 12.239 617 1HB ALA 80 HB1 ALA 80 2.700 2.021 14.589 618 2HB ALA 80 HB3 ALA 80 1.224 2.621 13.833 619 3HB ALA 80 HB2 ALA 80 1.537 0.886 13.902 620 H LEU 81 HN LEU 81 2.954 3.460 10.392 621 HA LEU 81 HA LEU 81 0.191 3.739 9.739 622 1HB LEU 81 HB2 LEU 81 2.770 4.441 8.453 623 2HB LEU 81 HB1 LEU 81 1.382 4.315 7.376 624 HG LEU 81 HG LEU 81 1.480 6.018 9.890 625 1HD1 LEU 81 HD11 LEU 81 1.715 6.721 6.951 626 2HD1 LEU 81 HD13 LEU 81 1.441 7.906 8.227 627 3HD1 LEU 81 HD12 LEU 81 2.934 6.969 8.201 628 1HD2 LEU 81 HD21 LEU 81 -0.668 5.168 8.089 629 2HD2 LEU 81 HD23 LEU 81 -0.776 5.944 9.667 630 3HD2 LEU 81 HD22 LEU 81 -0.551 6.922 8.218 631 HA PRO 82 HA PRO 82 -0.118 -0.443 8.029 632 1HB PRO 82 HB2 PRO 82 -2.632 0.193 6.781 633 2HB PRO 82 HB1 PRO 82 -2.337 -0.814 8.197 634 1HG PRO 82 HG2 PRO 82 -3.488 1.811 8.140 635 2HG PRO 82 HG1 PRO 82 -3.142 0.820 9.556 636 1HD PRO 82 HD2 PRO 82 -1.765 3.188 8.678 637 2HD PRO 82 HD1 PRO 82 -1.435 2.194 10.115 638 H VAL 83 HN VAL 83 1.452 -0.400 6.422 639 HA VAL 83 HA VAL 83 0.697 0.754 3.757 640 HB VAL 83 HB VAL 83 3.342 -0.074 4.963 641 1HG1 VAL 83 HG11 VAL 83 2.505 0.091 2.083 642 2HG1 VAL 83 HG13 VAL 83 4.140 0.585 2.523 643 3HG1 VAL 83 HG12 VAL 83 3.598 -1.055 2.863 644 1HG2 VAL 83 HG23 VAL 83 2.046 2.408 4.594 645 2HG2 VAL 83 HG22 VAL 83 3.674 2.104 5.173 646 3HG2 VAL 83 HG21 VAL 83 3.394 2.346 3.453 647 H LEU 84 HN LEU 84 -0.434 -0.920 2.689 648 HA LEU 84 HA LEU 84 0.595 -3.616 3.202 649 1HB LEU 84 HB2 LEU 84 -1.877 -3.244 3.133 650 2HB LEU 84 HB1 LEU 84 -1.737 -2.760 1.457 651 HG LEU 84 HG LEU 84 -1.509 -4.930 0.707 652 1HD1 LEU 84 HD13 LEU 84 -0.260 -5.708 3.363 653 2HD1 LEU 84 HD12 LEU 84 -0.537 -6.804 2.019 654 3HD1 LEU 84 HD11 LEU 84 0.603 -5.481 1.841 655 1HD2 LEU 84 HD22 LEU 84 -3.597 -4.804 2.047 656 2HD2 LEU 84 HD21 LEU 84 -2.932 -6.437 1.991 657 3HD2 LEU 84 HD23 LEU 84 -2.717 -5.447 3.434 658 H MET 85 HN MET 85 2.408 -4.083 2.092 659 HA MET 85 HA MET 85 3.116 -2.721 -0.320 660 1HB MET 85 HB2 MET 85 4.708 -3.961 1.242 661 2HB MET 85 HB1 MET 85 4.118 -5.463 0.529 662 1HG MET 85 HG2 MET 85 5.668 -5.189 -1.084 663 2HG MET 85 HG1 MET 85 4.711 -3.830 -1.668 664 1HE MET 85 HE1 MET 85 5.036 -1.548 -1.350 665 2HE MET 85 HE3 MET 85 4.967 -1.488 0.417 666 3HE MET 85 HE2 MET 85 6.296 -0.716 -0.443 667 H VAL 86 HN VAL 86 3.059 -3.526 -2.496 668 HA VAL 86 HA VAL 86 1.177 -5.807 -2.942 669 HB VAL 86 HB VAL 86 1.199 -3.153 -4.399 670 1HG1 VAL 86 HG11 VAL 86 -0.379 -5.699 -4.685 671 2HG1 VAL 86 HG13 VAL 86 -1.027 -4.153 -5.236 672 3HG1 VAL 86 HG12 VAL 86 0.471 -4.778 -5.925 673 1HG2 VAL 86 HG22 VAL 86 -0.159 -4.083 -1.976 674 2HG2 VAL 86 HG21 VAL 86 -0.024 -2.452 -2.626 675 3HG2 VAL 86 HG23 VAL 86 -1.285 -3.535 -3.212 676 H THR 87 HN THR 87 1.707 -7.153 -4.659 677 HA THR 87 HA THR 87 3.795 -6.254 -6.565 678 HB THR 87 HB THR 87 5.099 -7.202 -4.705 679 HG1 THR 87 HG1 THR 87 4.937 -8.998 -6.891 680 1HG2 THR 87 HG21 THR 87 3.233 -8.654 -3.880 681 2HG2 THR 87 HG23 THR 87 3.563 -9.753 -5.217 682 3HG2 THR 87 HG22 THR 87 4.787 -9.479 -3.978 683 H ALA 88 HN ALA 88 3.972 -7.727 -8.417 684 HA ALA 88 HA ALA 88 1.408 -9.143 -8.890 685 1HB ALA 88 HB2 ALA 88 2.917 -7.465 -10.480 686 2HB ALA 88 HB1 ALA 88 3.350 -9.061 -11.092 687 3HB ALA 88 HB3 ALA 88 1.661 -8.557 -11.064 688 H GLU 89 HN GLU 89 4.922 -9.745 -9.068 689 HA GLU 89 HA GLU 89 4.549 -12.556 -9.732 690 1HB GLU 89 HB2 GLU 89 7.113 -12.401 -8.804 691 2HB GLU 89 HB1 GLU 89 6.639 -12.010 -10.458 692 1HG GLU 89 HG2 GLU 89 6.529 -9.675 -9.982 693 2HG GLU 89 HG1 GLU 89 6.605 -9.953 -8.242 694 H ALA 90 HN ALA 90 6.064 -11.045 -6.855 695 HA ALA 90 HA ALA 90 6.120 -11.773 -4.629 696 1HB ALA 90 HB1 ALA 90 3.403 -12.056 -5.557 697 2HB ALA 90 HB3 ALA 90 3.778 -13.354 -4.426 698 3HB ALA 90 HB2 ALA 90 3.984 -11.676 -3.937 699 H LYS 91 HN LYS 91 7.868 -13.208 -4.780 700 HA LYS 91 HA LYS 91 7.268 -16.046 -5.463 701 1HB LYS 91 HB2 LYS 91 9.204 -15.025 -6.593 702 2HB LYS 91 HB1 LYS 91 9.914 -14.621 -5.032 703 1HG LYS 91 HG2 LYS 91 10.129 -16.964 -4.453 704 2HG LYS 91 HG1 LYS 91 9.239 -17.446 -5.898 705 1HD LYS 91 HD2 LYS 91 11.048 -17.178 -7.253 706 2HD LYS 91 HD1 LYS 91 11.579 -15.720 -6.413 707 1HE LYS 91 HE2 LYS 91 13.191 -17.575 -6.108 708 2HE LYS 91 HE1 LYS 91 12.472 -17.086 -4.574 709 1HZ LYS 91 HZ1 LYS 91 11.136 -19.192 -6.098 710 2HZ LYS 91 HZ3 LYS 91 12.582 -19.594 -5.309 711 3HZ LYS 91 HZ2 LYS 91 11.269 -18.987 -4.417 712 H LYS 92 HN LYS 92 9.815 -14.995 -3.283 713 HA LYS 92 HA LYS 92 8.343 -15.816 -0.885 714 1HB LYS 92 HB2 LYS 92 9.385 -17.902 -2.164 715 2HB LYS 92 HB1 LYS 92 10.865 -17.354 -1.378 716 1HG LYS 92 HG2 LYS 92 10.031 -18.744 0.275 717 2HG LYS 92 HG1 LYS 92 9.279 -17.220 0.749 718 1HD LYS 92 HD2 LYS 92 7.328 -17.932 -0.795 719 2HD LYS 92 HD1 LYS 92 8.040 -19.544 -0.723 720 1HE LYS 92 HE2 LYS 92 6.796 -17.922 1.474 721 2HE LYS 92 HE1 LYS 92 6.570 -19.627 1.082 722 1HZ LYS 92 HZ1 LYS 92 9.049 -19.805 1.700 723 2HZ LYS 92 HZ3 LYS 92 8.801 -18.333 2.503 724 3HZ LYS 92 HZ2 LYS 92 7.898 -19.702 2.946 725 H GLU 93 HN GLU 93 11.794 -15.702 -1.841 726 HA GLU 93 HA GLU 93 12.701 -14.414 0.482 727 1HB GLU 93 HB2 GLU 93 13.785 -14.201 -2.341 728 2HB GLU 93 HB1 GLU 93 14.656 -13.715 -0.887 729 1HG GLU 93 HG2 GLU 93 14.211 -16.125 -0.054 730 2HG GLU 93 HG1 GLU 93 13.831 -16.488 -1.738 731 H ASN 94 HN ASN 94 11.221 -13.091 -2.428 732 HA ASN 94 HA ASN 94 11.804 -10.327 -1.722 733 1HB ASN 94 HB2 ASN 94 11.144 -11.459 -4.054 734 2HB ASN 94 HB1 ASN 94 9.529 -10.985 -3.529 735 1HD2 ASN 94 HD22 ASN 94 12.281 -7.952 -3.962 736 2HD2 ASN 94 HD21 ASN 94 12.794 -9.444 -3.339 737 H ILE 95 HN ILE 95 8.902 -12.395 -1.573 738 HA ILE 95 HA ILE 95 7.117 -10.507 -0.478 739 HB ILE 95 HB ILE 95 7.378 -13.486 0.005 740 1HG1 ILE 95 HG12 ILE 95 5.306 -11.897 -1.536 741 2HG1 ILE 95 HG11 ILE 95 6.748 -12.583 -2.283 742 1HG2 ILE 95 HG21 ILE 95 5.372 -11.484 1.046 743 2HG2 ILE 95 HG23 ILE 95 4.942 -13.180 0.826 744 3HG2 ILE 95 HG22 ILE 95 6.235 -12.736 1.938 745 1HD1 ILE 95 HD12 ILE 95 6.030 -14.832 -1.346 746 2HD1 ILE 95 HD11 ILE 95 4.499 -14.074 -0.911 747 3HD1 ILE 95 HD13 ILE 95 4.982 -14.179 -2.603 748 H ILE 96 HN ILE 96 9.455 -12.620 1.188 749 HA ILE 96 HA ILE 96 8.814 -11.688 3.830 750 HB ILE 96 HB ILE 96 11.235 -13.043 2.628 751 1HG1 ILE 96 HG12 ILE 96 9.519 -14.074 4.867 752 2HG1 ILE 96 HG11 ILE 96 8.897 -14.133 3.217 753 1HG2 ILE 96 HG22 ILE 96 10.837 -11.926 5.401 754 2HG2 ILE 96 HG21 ILE 96 11.875 -13.324 5.128 755 3HG2 ILE 96 HG23 ILE 96 12.245 -11.786 4.350 756 1HD1 ILE 96 HD12 ILE 96 11.629 -15.198 3.952 757 2HD1 ILE 96 HD11 ILE 96 10.181 -16.202 4.003 758 3HD1 ILE 96 HD13 ILE 96 10.711 -15.495 2.476 759 H ALA 97 HN ALA 97 10.521 -10.252 1.212 760 HA ALA 97 HA ALA 97 12.359 -8.609 2.656 761 1HB ALA 97 HB3 ALA 97 12.241 -8.968 0.124 762 2HB ALA 97 HB2 ALA 97 10.944 -7.774 0.125 763 3HB ALA 97 HB1 ALA 97 12.560 -7.321 0.664 764 H ALA 98 HN ALA 98 9.327 -7.453 1.142 765 HA ALA 98 HA ALA 98 9.095 -5.049 2.551 766 1HB ALA 98 HB2 ALA 98 7.433 -6.419 0.845 767 2HB ALA 98 HB1 ALA 98 6.543 -6.512 2.365 768 3HB ALA 98 HB3 ALA 98 6.987 -4.942 1.700 769 H ALA 99 HN ALA 99 7.963 -8.269 3.538 770 HA ALA 99 HA ALA 99 6.928 -7.370 6.031 771 1HB ALA 99 HB1 ALA 99 6.412 -9.576 4.869 772 2HB ALA 99 HB3 ALA 99 7.980 -10.147 5.437 773 3HB ALA 99 HB2 ALA 99 6.734 -9.697 6.599 774 H GLN 100 HN GLN 100 10.167 -8.255 4.933 775 HA GLN 100 HA GLN 100 11.378 -8.797 7.450 776 1HB GLN 100 HB2 GLN 100 12.568 -8.971 5.217 777 2HB GLN 100 HB1 GLN 100 12.654 -7.210 5.192 778 1HG GLN 100 HG2 GLN 100 14.741 -8.049 6.085 779 2HG GLN 100 HG1 GLN 100 13.841 -7.301 7.403 780 1HE2 GLN 100 HE22 GLN 100 14.594 -11.304 7.487 781 2HE2 GLN 100 HE21 GLN 100 15.032 -10.368 6.141 782 H ALA 101 HN ALA 101 10.317 -5.898 5.875 783 HA ALA 101 HA ALA 101 11.368 -4.152 8.021 784 1HB ALA 101 HB3 ALA 101 10.543 -3.785 5.300 785 2HB ALA 101 HB2 ALA 101 9.467 -2.830 6.319 786 3HB ALA 101 HB1 ALA 101 11.209 -2.577 6.397 787 H GLY 102 HN GLY 102 8.693 -6.013 7.097 788 1HA GLY 102 HA2 GLY 102 6.702 -6.557 8.141 789 2HA GLY 102 HA1 GLY 102 7.394 -5.845 9.580 790 H ALA 103 HN ALA 103 5.662 -4.947 6.548 791 HA ALA 103 HA ALA 103 4.915 -2.390 7.863 792 1HB ALA 103 HB1 ALA 103 4.179 -3.692 5.239 793 2HB ALA 103 HB3 ALA 103 3.652 -2.099 5.738 794 3HB ALA 103 HB2 ALA 103 5.328 -2.410 5.474 795 H SER 104 HN SER 104 2.550 -3.410 5.898 796 HA SER 104 HA SER 104 0.700 -4.090 8.124 797 1HB SER 104 HB2 SER 104 -0.957 -3.203 6.862 798 2HB SER 104 HB1 SER 104 0.334 -2.530 5.882 799 HG SER 104 HG SER 104 -1.437 -4.522 5.330 800 H GLY 105 HN GLY 105 1.706 -5.226 4.972 801 1HA GLY 105 HA2 GLY 105 2.116 -7.929 5.533 802 2HA GLY 105 HA1 GLY 105 0.418 -7.799 5.109 803 OH TYR 106 OH TYR 106 1.710 -13.141 -2.872 804 H TYR 106 HN TYR 106 0.867 -9.048 3.161 805 HA TYR 106 HA TYR 106 1.859 -7.311 0.962 806 1HB TYR 106 HB2 TYR 106 3.727 -8.536 0.668 807 2HB TYR 106 HB1 TYR 106 3.243 -9.656 1.943 808 HD1 TYR 106 HD1 TYR 106 2.536 -8.827 -1.666 809 HD2 TYR 106 HD2 TYR 106 2.596 -11.846 1.392 810 HE1 TYR 106 HE1 TYR 106 2.010 -10.562 -3.347 811 HE2 TYR 106 HE2 TYR 106 2.068 -13.571 -0.295 812 HH TYR 106 HH TYR 106 2.149 -12.899 -3.691 813 H VAL 107 HN VAL 107 0.432 -7.350 -0.673 814 HA VAL 107 HA VAL 107 -1.425 -9.692 -0.907 815 HB VAL 107 HB VAL 107 -2.535 -7.542 -0.226 816 1HG1 VAL 107 HG12 VAL 107 -0.766 -6.306 -1.773 817 2HG1 VAL 107 HG11 VAL 107 -2.028 -6.504 -2.986 818 3HG1 VAL 107 HG13 VAL 107 -2.364 -5.616 -1.499 819 1HG2 VAL 107 HG23 VAL 107 -3.163 -8.572 -3.015 820 2HG2 VAL 107 HG22 VAL 107 -3.780 -9.236 -1.503 821 3HG2 VAL 107 HG21 VAL 107 -4.260 -7.619 -2.016 822 H VAL 108 HN VAL 108 -1.440 -10.681 -2.906 823 HA VAL 108 HA VAL 108 0.505 -9.663 -4.868 824 HB VAL 108 HB VAL 108 0.707 -11.988 -4.660 825 1HG1 VAL 108 HG11 VAL 108 -2.294 -11.928 -4.398 826 2HG1 VAL 108 HG13 VAL 108 -1.457 -13.431 -4.784 827 3HG1 VAL 108 HG12 VAL 108 -1.099 -12.586 -3.279 828 1HG2 VAL 108 HG23 VAL 108 0.161 -11.118 -7.061 829 2HG2 VAL 108 HG22 VAL 108 0.139 -12.857 -6.770 830 3HG2 VAL 108 HG21 VAL 108 -1.375 -11.955 -6.839 831 H LYS 109 HN LYS 109 -0.151 -8.359 -6.515 832 HA LYS 109 HA LYS 109 -3.036 -8.136 -7.128 833 1HB LYS 109 HB2 LYS 109 -2.544 -5.959 -7.571 834 2HB LYS 109 HB1 LYS 109 -0.961 -6.309 -6.902 835 1HG LYS 109 HG2 LYS 109 -0.167 -6.961 -9.189 836 2HG LYS 109 HG1 LYS 109 -1.736 -6.465 -9.835 837 1HD LYS 109 HD2 LYS 109 -1.326 -4.221 -9.490 838 2HD LYS 109 HD1 LYS 109 -0.231 -4.512 -8.140 839 1HE LYS 109 HE2 LYS 109 1.572 -5.029 -9.534 840 2HE LYS 109 HE1 LYS 109 0.528 -5.437 -10.895 841 1HZ LYS 109 HZ3 LYS 109 0.104 -2.757 -10.109 842 2HZ LYS 109 HZ2 LYS 109 1.760 -3.013 -10.390 843 3HZ LYS 109 HZ1 LYS 109 0.625 -3.358 -11.608 844 HA PRO 110 HA PRO 110 -3.919 -6.908 -9.125 845 1HB PRO 110 HB2 PRO 110 -5.795 -8.253 -10.820 846 2HB PRO 110 HB1 PRO 110 -4.880 -6.783 -11.180 847 1HG PRO 110 HG2 PRO 110 -4.521 -9.344 -12.376 848 2HG PRO 110 HG1 PRO 110 -3.491 -7.921 -12.585 849 1HD PRO 110 HD2 PRO 110 -2.983 -10.346 -11.008 850 2HD PRO 110 HD1 PRO 110 -1.847 -9.073 -11.500 851 H PHE 111 HN PHE 111 -5.270 -7.063 -7.338 852 HA PHE 111 HA PHE 111 -6.336 -9.753 -6.626 853 1HB PHE 111 HB2 PHE 111 -6.992 -8.490 -4.466 854 2HB PHE 111 HB1 PHE 111 -5.286 -8.819 -4.731 855 HD1 PHE 111 HD2 PHE 111 -7.916 -6.186 -5.318 856 HD2 PHE 111 HD1 PHE 111 -3.755 -7.054 -4.692 857 HE1 PHE 111 HE2 PHE 111 -7.397 -3.768 -5.299 858 HE2 PHE 111 HE1 PHE 111 -3.247 -4.633 -4.654 859 HZ PHE 111 HZ PHE 111 -5.074 -2.983 -4.958 860 H THR 112 HN THR 112 -8.528 -9.919 -5.916 861 HA THR 112 HA THR 112 -10.361 -8.128 -7.414 862 HB THR 112 HB THR 112 -11.455 -10.373 -5.806 863 HG1 THR 112 HG1 THR 112 -9.297 -10.760 -7.257 864 1HG2 THR 112 HG23 THR 112 -12.709 -8.911 -7.455 865 2HG2 THR 112 HG22 THR 112 -11.781 -9.693 -8.734 866 3HG2 THR 112 HG21 THR 112 -12.868 -10.647 -7.724 867 H ALA 113 HN ALA 113 -11.966 -6.915 -6.233 868 HA ALA 113 HA ALA 113 -11.218 -5.756 -3.825 869 1HB ALA 113 HB3 ALA 113 -13.272 -5.270 -5.412 870 2HB ALA 113 HB2 ALA 113 -14.140 -6.300 -4.273 871 3HB ALA 113 HB1 ALA 113 -13.358 -4.824 -3.707 872 H ALA 114 HN ALA 114 -12.568 -8.930 -4.274 873 HA ALA 114 HA ALA 114 -13.365 -9.247 -1.495 874 1HB ALA 114 HB2 ALA 114 -12.863 -11.203 -3.754 875 2HB ALA 114 HB1 ALA 114 -13.285 -11.737 -2.126 876 3HB ALA 114 HB3 ALA 114 -14.412 -10.739 -3.046 877 H THR 115 HN THR 115 -10.463 -9.937 -3.406 878 HA THR 115 HA THR 115 -9.065 -11.261 -1.251 879 HB THR 115 HB THR 115 -7.093 -10.146 -2.831 880 HG1 THR 115 HG1 THR 115 -9.028 -10.938 -4.659 881 1HG2 THR 115 HG22 THR 115 -8.686 -12.700 -3.071 882 2HG2 THR 115 HG21 THR 115 -7.266 -12.380 -4.066 883 3HG2 THR 115 HG23 THR 115 -7.112 -12.470 -2.312 884 H LEU 116 HN LEU 116 -8.532 -7.941 -2.658 885 HA LEU 116 HA LEU 116 -6.909 -6.976 -0.592 886 1HB LEU 116 HB2 LEU 116 -8.014 -5.803 -2.750 887 2HB LEU 116 HB1 LEU 116 -9.082 -5.155 -1.509 888 HG LEU 116 HG LEU 116 -7.023 -4.475 -0.203 889 1HD1 LEU 116 HD11 LEU 116 -5.746 -5.858 -2.435 890 2HD1 LEU 116 HD13 LEU 116 -5.135 -4.216 -2.244 891 3HD1 LEU 116 HD12 LEU 116 -5.062 -5.348 -0.895 892 1HD2 LEU 116 HD21 LEU 116 -8.373 -2.970 -1.802 893 2HD2 LEU 116 HD23 LEU 116 -6.745 -2.438 -1.390 894 3HD2 LEU 116 HD22 LEU 116 -7.053 -3.207 -2.943 895 H GLU 117 HN GLU 117 -10.488 -7.210 -0.628 896 HA GLU 117 HA GLU 117 -10.904 -5.950 1.877 897 1HB GLU 117 HB2 GLU 117 -12.437 -7.963 0.266 898 2HB GLU 117 HB1 GLU 117 -12.990 -7.507 1.873 899 1HG GLU 117 HG2 GLU 117 -13.278 -5.234 1.261 900 2HG GLU 117 HG1 GLU 117 -12.325 -5.427 -0.210 901 H GLU 118 HN GLU 118 -10.623 -9.409 1.080 902 HA GLU 118 HA GLU 118 -10.838 -10.535 3.610 903 1HB GLU 118 HB2 GLU 118 -9.256 -11.236 1.174 904 2HB GLU 118 HB1 GLU 118 -8.879 -12.095 2.668 905 1HG GLU 118 HG2 GLU 118 -11.136 -12.883 2.886 906 2HG GLU 118 HG1 GLU 118 -11.696 -11.822 1.593 907 H LYS 119 HN LYS 119 -7.853 -9.213 2.150 908 HA LYS 119 HA LYS 119 -6.276 -9.623 4.532 909 1HB LYS 119 HB2 LYS 119 -5.867 -8.616 1.868 910 2HB LYS 119 HB1 LYS 119 -5.204 -7.459 3.018 911 1HG LYS 119 HG2 LYS 119 -3.457 -9.034 2.505 912 2HG LYS 119 HG1 LYS 119 -4.011 -9.398 4.137 913 1HD LYS 119 HD2 LYS 119 -4.135 -11.531 3.312 914 2HD LYS 119 HD1 LYS 119 -5.695 -10.976 2.704 915 1HE LYS 119 HE2 LYS 119 -4.684 -11.879 0.786 916 2HE LYS 119 HE1 LYS 119 -4.335 -10.157 0.637 917 1HZ LYS 119 HZ2 LYS 119 -2.371 -11.510 2.198 918 2HZ LYS 119 HZ1 LYS 119 -2.504 -12.189 0.647 919 3HZ LYS 119 HZ3 LYS 119 -2.171 -10.535 0.822 920 H LEU 120 HN LEU 120 -8.130 -6.883 3.245 921 HA LEU 120 HA LEU 120 -7.262 -4.963 5.175 922 1HB LEU 120 HB2 LEU 120 -8.737 -4.738 2.968 923 2HB LEU 120 HB1 LEU 120 -10.061 -4.863 4.126 924 HG LEU 120 HG LEU 120 -8.613 -3.081 5.454 925 1HD1 LEU 120 HD13 LEU 120 -6.765 -3.166 3.767 926 2HD1 LEU 120 HD12 LEU 120 -7.884 -2.526 2.564 927 3HD1 LEU 120 HD11 LEU 120 -7.441 -1.548 3.963 928 1HD2 LEU 120 HD22 LEU 120 -10.573 -2.760 3.220 929 2HD2 LEU 120 HD21 LEU 120 -10.750 -2.370 4.931 930 3HD2 LEU 120 HD23 LEU 120 -9.815 -1.309 3.877 931 H ASN 121 HN ASN 121 -10.421 -6.663 5.093 932 HA ASN 121 HA ASN 121 -11.322 -5.973 7.631 933 1HB ASN 121 HB2 ASN 121 -11.827 -8.158 5.751 934 2HB ASN 121 HB1 ASN 121 -12.079 -8.634 7.430 935 1HD2 ASN 121 HD22 ASN 121 -15.028 -6.688 5.754 936 2HD2 ASN 121 HD21 ASN 121 -13.927 -7.731 4.991 937 H LYS 122 HN LYS 122 -9.371 -8.859 6.858 938 HA LYS 122 HA LYS 122 -9.032 -9.700 9.564 939 1HB LYS 122 HB2 LYS 122 -7.549 -10.215 7.001 940 2HB LYS 122 HB1 LYS 122 -6.883 -10.793 8.528 941 1HG LYS 122 HG2 LYS 122 -9.770 -11.332 8.055 942 2HG LYS 122 HG1 LYS 122 -8.626 -12.242 7.068 943 1HD LYS 122 HD2 LYS 122 -7.454 -12.999 9.091 944 2HD LYS 122 HD1 LYS 122 -8.560 -12.061 10.095 945 1HE LYS 122 HE2 LYS 122 -9.869 -13.897 8.184 946 2HE LYS 122 HE1 LYS 122 -8.942 -14.688 9.459 947 1HZ LYS 122 HZ1 LYS 122 -10.201 -12.856 10.882 948 2HZ LYS 122 HZ3 LYS 122 -11.346 -13.057 9.647 949 3HZ LYS 122 HZ2 LYS 122 -10.861 -14.392 10.579 950 H ILE 123 HN ILE 123 -7.596 -7.091 7.818 951 HA ILE 123 HA ILE 123 -5.267 -6.947 9.627 952 HB ILE 123 HB ILE 123 -6.167 -5.459 7.185 953 1HG1 ILE 123 HG12 ILE 123 -3.432 -6.470 7.997 954 2HG1 ILE 123 HG11 ILE 123 -4.630 -7.504 7.216 955 1HG2 ILE 123 HG23 ILE 123 -4.335 -4.422 9.352 956 2HG2 ILE 123 HG22 ILE 123 -4.123 -3.934 7.672 957 3HG2 ILE 123 HG21 ILE 123 -5.632 -3.572 8.507 958 1HD1 ILE 123 HD12 ILE 123 -4.762 -5.865 5.336 959 2HD1 ILE 123 HD11 ILE 123 -3.474 -4.932 6.100 960 3HD1 ILE 123 HD13 ILE 123 -3.152 -6.564 5.516 961 H PHE 124 HN PHE 124 -8.189 -5.002 8.911 962 HA PHE 124 HA PHE 124 -7.604 -3.032 10.897 963 1HB PHE 124 HB2 PHE 124 -10.051 -3.808 9.353 964 2HB PHE 124 HB1 PHE 124 -10.195 -2.678 10.701 965 HD1 PHE 124 HD1 PHE 124 -8.054 -3.337 7.706 966 HD2 PHE 124 HD2 PHE 124 -9.775 -0.398 10.318 967 HE1 PHE 124 HE1 PHE 124 -7.115 -1.530 6.294 968 HE2 PHE 124 HE2 PHE 124 -8.835 1.411 8.907 969 HZ PHE 124 HZ PHE 124 -7.509 0.838 6.892 970 H GLU 125 HN GLU 125 -9.222 -6.162 11.059 971 HA GLU 125 HA GLU 125 -10.522 -5.879 13.552 972 1HB GLU 125 HB2 GLU 125 -10.892 -7.968 12.536 973 2HB GLU 125 HB1 GLU 125 -9.180 -8.202 12.179 974 1HG GLU 125 HG2 GLU 125 -8.668 -8.793 14.394 975 2HG GLU 125 HG1 GLU 125 -10.130 -8.042 15.031 976 H LYS 126 HN LYS 126 -7.162 -6.040 12.712 977 HA LYS 126 HA LYS 126 -6.298 -6.382 15.512 978 1HB LYS 126 HB2 LYS 126 -4.651 -5.754 13.037 979 2HB LYS 126 HB1 LYS 126 -4.034 -6.296 14.599 980 1HG LYS 126 HG2 LYS 126 -5.669 -8.321 14.219 981 2HG LYS 126 HG1 LYS 126 -5.550 -7.848 12.524 982 1HD LYS 126 HD2 LYS 126 -3.056 -7.942 12.722 983 2HD LYS 126 HD1 LYS 126 -3.247 -8.559 14.363 984 1HE LYS 126 HE2 LYS 126 -3.894 -9.891 11.754 985 2HE LYS 126 HE1 LYS 126 -3.058 -10.545 13.162 986 1HZ LYS 126 HZ2 LYS 126 -5.188 -10.435 14.370 987 2HZ LYS 126 HZ1 LYS 126 -5.958 -9.955 12.935 988 3HZ LYS 126 HZ3 LYS 126 -5.239 -11.487 13.037 989 H LEU 127 HN LEU 127 -6.878 -3.883 13.151 990 HA LEU 127 HA LEU 127 -5.384 -1.800 14.489 991 1HB LEU 127 HB2 LEU 127 -6.117 -1.675 12.081 992 2HB LEU 127 HB1 LEU 127 -7.780 -1.505 12.640 993 HG LEU 127 HG LEU 127 -7.110 0.527 13.925 994 1HD1 LEU 127 HD11 LEU 127 -4.445 -0.254 12.823 995 2HD1 LEU 127 HD13 LEU 127 -4.818 1.467 12.913 996 3HD1 LEU 127 HD12 LEU 127 -4.850 0.481 14.374 997 1HD2 LEU 127 HD22 LEU 127 -7.338 0.205 11.085 998 2HD2 LEU 127 HD21 LEU 127 -7.825 1.581 12.073 999 3HD2 LEU 127 HD23 LEU 127 -6.192 1.504 11.414 1000 H GLY 128 HN GLY 128 -8.496 -3.288 14.960 1001 1HA GLY 128 HA2 GLY 128 -9.712 -3.096 17.023 1002 2HA GLY 128 HA1 GLY 128 -8.899 -1.562 17.334 1003 H MET 129 HN MET 129 -10.241 -2.133 14.176 1004 HA MET 129 HA MET 129 -12.245 -0.001 14.709 1005 1HB MET 129 HB2 MET 129 -10.805 -1.014 12.312 1006 2HB MET 129 HB1 MET 129 -12.442 -0.413 12.055 1007 1HG MET 129 HG2 MET 129 -10.316 1.142 13.551 1008 2HG MET 129 HG1 MET 129 -10.631 1.342 11.828 1009 1HE MET 129 HE1 MET 129 -10.737 3.318 14.407 1010 2HE MET 129 HE3 MET 129 -12.358 3.733 14.984 1011 3HE MET 129 HE2 MET 129 -11.633 2.185 15.415 Start of MODEL 18 Raw file had 1011 H/Q atoms Start of MODEL 18 1 H ALA 2 HN ALA 2 -14.813 0.660 8.310 2 HA ALA 2 HA ALA 2 -12.874 0.676 10.413 3 1HB ALA 2 HB1 ALA 2 -11.840 0.447 7.587 4 2HB ALA 2 HB3 ALA 2 -10.897 1.260 8.838 5 3HB ALA 2 HB2 ALA 2 -11.324 -0.442 9.020 6 H ASP 3 HN ASP 3 -13.505 2.241 7.254 7 HA ASP 3 HA ASP 3 -14.513 4.657 8.405 8 1HB ASP 3 HB2 ASP 3 -11.716 4.472 8.601 9 2HB ASP 3 HB1 ASP 3 -12.001 5.507 7.202 10 H LYS 4 HN LYS 4 -15.176 6.137 6.712 11 HA LYS 4 HA LYS 4 -15.211 4.850 4.052 12 1HB LYS 4 HB2 LYS 4 -16.642 7.266 5.166 13 2HB LYS 4 HB1 LYS 4 -16.769 6.765 3.487 14 1HG LYS 4 HG2 LYS 4 -17.448 4.446 4.430 15 2HG LYS 4 HG1 LYS 4 -17.706 5.295 5.953 16 1HD LYS 4 HD2 LYS 4 -19.337 6.765 4.928 17 2HD LYS 4 HD1 LYS 4 -18.984 6.115 3.327 18 1HE LYS 4 HE2 LYS 4 -20.431 4.425 3.634 19 2HE LYS 4 HE1 LYS 4 -19.634 3.962 5.138 20 1HZ LYS 4 HZ1 LYS 4 -21.530 6.231 4.960 21 2HZ LYS 4 HZ3 LYS 4 -22.027 4.652 5.328 22 3HZ LYS 4 HZ2 LYS 4 -20.948 5.464 6.359 23 H GLU 5 HN GLU 5 -12.797 6.449 5.311 24 HA GLU 5 HA GLU 5 -12.048 7.663 2.767 25 1HB GLU 5 HB2 GLU 5 -11.801 9.969 3.635 26 2HB GLU 5 HB1 GLU 5 -13.484 9.441 3.642 27 1HG GLU 5 HG2 GLU 5 -13.111 8.730 6.067 28 2HG GLU 5 HG1 GLU 5 -11.590 9.618 5.992 29 H LEU 6 HN LEU 6 -10.775 5.677 4.349 30 HA LEU 6 HA LEU 6 -8.704 6.774 5.990 31 1HB LEU 6 HB2 LEU 6 -9.392 4.406 6.076 32 2HB LEU 6 HB1 LEU 6 -8.795 4.174 4.435 33 HG LEU 6 HG LEU 6 -6.512 4.778 5.190 34 1HD1 LEU 6 HD11 LEU 6 -7.993 5.251 7.745 35 2HD1 LEU 6 HD13 LEU 6 -6.340 4.642 7.826 36 3HD1 LEU 6 HD12 LEU 6 -6.676 6.176 7.024 37 1HD2 LEU 6 HD21 LEU 6 -8.080 2.508 6.286 38 2HD2 LEU 6 HD23 LEU 6 -6.645 2.500 5.264 39 3HD2 LEU 6 HD22 LEU 6 -6.492 2.778 6.999 40 H LYS 7 HN LYS 7 -7.246 8.218 5.132 41 HA LYS 7 HA LYS 7 -6.715 8.768 2.481 42 1HB LYS 7 HB2 LYS 7 -5.140 9.045 4.991 43 2HB LYS 7 HB1 LYS 7 -4.283 9.278 3.470 44 1HG LYS 7 HG2 LYS 7 -5.941 10.957 2.772 45 2HG LYS 7 HG1 LYS 7 -6.832 10.711 4.274 46 1HD LYS 7 HD2 LYS 7 -4.123 11.194 4.986 47 2HD LYS 7 HD1 LYS 7 -4.572 12.419 3.799 48 1HE LYS 7 HE2 LYS 7 -5.145 13.242 6.013 49 2HE LYS 7 HE1 LYS 7 -6.636 12.888 5.140 50 1HZ LYS 7 HZ3 LYS 7 -6.068 10.531 6.312 51 2HZ LYS 7 HZ2 LYS 7 -5.537 11.635 7.490 52 3HZ LYS 7 HZ1 LYS 7 -7.143 11.686 6.934 53 H PHE 8 HN PHE 8 -6.200 7.345 0.883 54 HA PHE 8 HA PHE 8 -4.198 5.203 1.446 55 1HB PHE 8 HB2 PHE 8 -6.280 5.539 -0.724 56 2HB PHE 8 HB1 PHE 8 -4.984 4.375 -0.855 57 HD1 PHE 8 HD2 PHE 8 -8.065 5.284 0.879 58 HD2 PHE 8 HD1 PHE 8 -4.936 2.370 0.574 59 HE1 PHE 8 HE2 PHE 8 -9.396 3.695 2.220 60 HE2 PHE 8 HE1 PHE 8 -6.313 0.767 1.891 61 HZ PHE 8 HZ PHE 8 -8.532 1.446 2.730 62 H LEU 9 HN LEU 9 -2.470 4.931 -0.129 63 HA LEU 9 HA LEU 9 -2.077 7.233 -1.991 64 1HB LEU 9 HB2 LEU 9 -0.645 7.724 -0.083 65 2HB LEU 9 HB1 LEU 9 0.008 6.091 -0.104 66 HG LEU 9 HG LEU 9 1.027 6.477 -2.290 67 1HD1 LEU 9 HD12 LEU 9 -0.554 9.021 -2.123 68 2HD1 LEU 9 HD11 LEU 9 0.941 8.984 -3.058 69 3HD1 LEU 9 HD13 LEU 9 -0.386 7.900 -3.475 70 1HD2 LEU 9 HD22 LEU 9 1.549 8.490 -0.120 71 2HD2 LEU 9 HD21 LEU 9 2.526 7.106 -0.614 72 3HD2 LEU 9 HD23 LEU 9 2.463 8.547 -1.626 73 H VAL 10 HN VAL 10 -2.366 6.142 -3.904 74 HA VAL 10 HA VAL 10 -1.253 3.422 -4.194 75 HB VAL 10 HB VAL 10 -2.274 3.811 -6.584 76 1HG1 VAL 10 HG12 VAL 10 -3.664 3.391 -3.958 77 2HG1 VAL 10 HG11 VAL 10 -4.627 3.481 -5.433 78 3HG1 VAL 10 HG13 VAL 10 -3.384 2.241 -5.265 79 1HG2 VAL 10 HG21 VAL 10 -2.497 6.305 -6.098 80 2HG2 VAL 10 HG23 VAL 10 -3.953 5.516 -6.704 81 3HG2 VAL 10 HG22 VAL 10 -3.798 5.879 -4.985 82 H VAL 11 HN VAL 11 0.656 2.997 -5.202 83 HA VAL 11 HA VAL 11 1.820 5.017 -6.999 84 HB VAL 11 HB VAL 11 3.453 3.575 -4.904 85 1HG1 VAL 11 HG12 VAL 11 3.996 5.753 -6.915 86 2HG1 VAL 11 HG11 VAL 11 4.988 5.595 -5.469 87 3HG1 VAL 11 HG13 VAL 11 4.896 4.267 -6.624 88 1HG2 VAL 11 HG22 VAL 11 1.904 6.119 -4.758 89 2HG2 VAL 11 HG21 VAL 11 2.291 4.958 -3.489 90 3HG2 VAL 11 HG23 VAL 11 3.508 6.107 -4.033 91 H ASP 12 HN ASP 12 1.759 3.847 -8.884 92 HA ASP 12 HA ASP 12 3.335 1.347 -8.951 93 1HB ASP 12 HB2 ASP 12 0.682 1.252 -10.326 94 2HB ASP 12 HB1 ASP 12 1.634 -0.062 -9.631 95 H ASP 13 HN ASP 13 4.735 1.717 -10.596 96 HA ASP 13 HA ASP 13 4.630 3.739 -12.508 97 1HB ASP 13 HB2 ASP 13 6.203 1.402 -12.064 98 2HB ASP 13 HB1 ASP 13 5.749 1.416 -13.769 99 H PHE 14 HN PHE 14 2.667 0.930 -12.315 100 HA PHE 14 HA PHE 14 2.024 0.488 -15.049 101 1HB PHE 14 HB2 PHE 14 0.826 -0.147 -12.433 102 2HB PHE 14 HB1 PHE 14 -0.347 0.001 -13.741 103 HD1 PHE 14 HD1 PHE 14 0.280 -1.209 -15.988 104 HD2 PHE 14 HD2 PHE 14 1.993 -2.162 -12.165 105 HE1 PHE 14 HE1 PHE 14 0.942 -3.443 -16.840 106 HE2 PHE 14 HE2 PHE 14 2.654 -4.394 -13.017 107 HZ PHE 14 HZ PHE 14 2.129 -5.035 -15.355 108 H SER 15 HN SER 15 0.873 1.707 -16.482 109 HA SER 15 HA SER 15 -0.303 4.243 -15.509 110 1HB SER 15 HB2 SER 15 -0.227 3.352 -18.386 111 2HB SER 15 HB1 SER 15 -0.209 4.990 -17.740 112 HG SER 15 HG SER 15 1.848 3.433 -18.356 113 H THR 16 HN THR 16 -1.802 2.116 -14.616 114 HA THR 16 HA THR 16 -4.400 2.696 -15.675 115 HB THR 16 HB THR 16 -3.843 1.370 -17.585 116 HG1 THR 16 HG1 THR 16 -5.096 -0.398 -15.762 117 1HG2 THR 16 HG21 THR 16 -2.404 -0.251 -15.551 118 2HG2 THR 16 HG23 THR 16 -3.104 -1.131 -16.910 119 3HG2 THR 16 HG22 THR 16 -1.936 0.158 -17.201 120 H MET 17 HN MET 17 -2.253 1.041 -13.595 121 HA MET 17 HA MET 17 -4.195 -0.625 -12.238 122 1HB MET 17 HB2 MET 17 -1.996 -1.330 -11.872 123 2HB MET 17 HB1 MET 17 -1.403 0.316 -11.644 124 1HG MET 17 HG2 MET 17 -2.262 0.458 -9.459 125 2HG MET 17 HG1 MET 17 -3.393 -0.870 -9.720 126 1HE MET 17 HE1 MET 17 -2.618 -1.149 -7.436 127 2HE MET 17 HE3 MET 17 -2.632 -2.879 -7.805 128 3HE MET 17 HE2 MET 17 -1.272 -2.171 -6.938 129 NH1 ARG 18 NH1 ARG 18 -0.757 6.527 -13.155 130 NH2 ARG 18 NH2 ARG 18 1.475 6.470 -12.807 131 H ARG 18 HN ARG 18 -3.000 2.677 -11.787 132 HA ARG 18 HA ARG 18 -4.171 3.137 -9.221 133 1HB ARG 18 HB2 ARG 18 -4.079 5.379 -11.183 134 2HB ARG 18 HB1 ARG 18 -3.526 5.326 -9.509 135 1HG ARG 18 HG2 ARG 18 -1.744 3.635 -10.437 136 2HG ARG 18 HG1 ARG 18 -2.125 4.377 -11.992 137 1HD ARG 18 HD2 ARG 18 -1.727 6.630 -10.881 138 2HD ARG 18 HD1 ARG 18 -1.076 5.743 -9.504 139 HE ARG 18 HE ARG 18 0.785 5.052 -10.875 140 1HH1 ARG 18 HH11 ARG 18 -1.687 6.318 -12.853 141 2HH1 ARG 18 HH12 ARG 18 -0.609 6.992 -14.029 142 1HH2 ARG 18 HH21 ARG 18 2.256 6.216 -12.237 143 2HH2 ARG 18 HH22 ARG 18 1.623 6.934 -13.680 144 NH1 ARG 19 NH1 ARG 19 -8.245 2.274 -17.464 145 NH2 ARG 19 NH2 ARG 19 -8.199 4.288 -18.488 146 H ARG 19 HN ARG 19 -5.503 3.257 -12.482 147 HA ARG 19 HA ARG 19 -7.985 4.538 -11.664 148 1HB ARG 19 HB2 ARG 19 -7.196 4.700 -13.985 149 2HB ARG 19 HB1 ARG 19 -7.301 2.947 -14.156 150 1HG ARG 19 HG2 ARG 19 -9.666 2.960 -13.998 151 2HG ARG 19 HG1 ARG 19 -9.696 4.602 -13.355 152 1HD ARG 19 HD2 ARG 19 -10.179 4.049 -15.953 153 2HD ARG 19 HD1 ARG 19 -9.447 5.563 -15.422 154 HE ARG 19 HE ARG 19 -7.209 4.392 -15.866 155 1HH1 ARG 19 HH11 ARG 19 -8.228 1.727 -16.627 156 2HH1 ARG 19 HH12 ARG 19 -8.313 1.823 -18.354 157 1HH2 ARG 19 HH21 ARG 19 -8.146 5.284 -18.436 158 2HH2 ARG 19 HH22 ARG 19 -8.267 3.836 -19.378 159 H ILE 20 HN ILE 20 -6.746 1.316 -11.603 160 HA ILE 20 HA ILE 20 -9.321 -0.035 -11.624 161 HB ILE 20 HB ILE 20 -6.473 -0.784 -11.164 162 1HG1 ILE 20 HG12 ILE 20 -8.702 -2.268 -12.571 163 2HG1 ILE 20 HG11 ILE 20 -7.795 -0.967 -13.341 164 1HG2 ILE 20 HG21 ILE 20 -8.817 -2.305 -10.001 165 2HG2 ILE 20 HG23 ILE 20 -7.300 -3.096 -10.421 166 3HG2 ILE 20 HG22 ILE 20 -7.318 -1.831 -9.195 167 1HD1 ILE 20 HD13 ILE 20 -6.419 -3.332 -12.059 168 2HD1 ILE 20 HD12 ILE 20 -6.936 -3.354 -13.745 169 3HD1 ILE 20 HD11 ILE 20 -5.747 -2.170 -13.203 170 H VAL 21 HN VAL 21 -6.991 0.871 -9.078 171 HA VAL 21 HA VAL 21 -8.657 -0.110 -6.943 172 HB VAL 21 HB VAL 21 -6.976 1.908 -5.909 173 1HG1 VAL 21 HG11 VAL 21 -6.674 -1.095 -6.185 174 2HG1 VAL 21 HG13 VAL 21 -5.696 -0.096 -5.111 175 3HG1 VAL 21 HG12 VAL 21 -7.434 -0.234 -4.846 176 1HG2 VAL 21 HG21 VAL 21 -5.908 1.973 -8.153 177 2HG2 VAL 21 HG23 VAL 21 -4.814 1.335 -6.926 178 3HG2 VAL 21 HG22 VAL 21 -5.616 0.236 -8.048 179 NH1 ARG 22 NH1 ARG 22 -10.347 9.366 -8.996 180 NH2 ARG 22 NH2 ARG 22 -8.475 10.091 -7.959 181 H ARG 22 HN ARG 22 -8.355 3.000 -8.558 182 HA ARG 22 HA ARG 22 -9.611 4.745 -6.799 183 1HB ARG 22 HB2 ARG 22 -9.381 4.501 -9.711 184 2HB ARG 22 HB1 ARG 22 -10.848 5.337 -9.206 185 1HG ARG 22 HG2 ARG 22 -9.540 6.900 -7.857 186 2HG ARG 22 HG1 ARG 22 -8.056 6.029 -8.244 187 1HD ARG 22 HD2 ARG 22 -8.195 6.639 -10.557 188 2HD ARG 22 HD1 ARG 22 -9.839 7.248 -10.363 189 HE ARG 22 HE ARG 22 -7.445 8.748 -9.850 190 1HH1 ARG 22 HH11 ARG 22 -10.791 8.770 -9.665 191 2HH1 ARG 22 HH12 ARG 22 -10.895 10.001 -8.451 192 1HH2 ARG 22 HH21 ARG 22 -7.483 10.052 -7.834 193 2HH2 ARG 22 HH22 ARG 22 -9.022 10.727 -7.415 194 H ASN 23 HN ASN 23 -11.265 2.609 -9.131 195 HA ASN 23 HA ASN 23 -13.909 3.175 -8.131 196 1HB ASN 23 HB2 ASN 23 -12.741 1.967 -10.336 197 2HB ASN 23 HB1 ASN 23 -13.496 0.639 -9.497 198 1HD2 ASN 23 HD22 ASN 23 -16.819 1.721 -10.165 199 2HD2 ASN 23 HD21 ASN 23 -15.851 0.653 -9.270 200 H LEU 24 HN LEU 24 -11.954 0.211 -8.100 201 HA LEU 24 HA LEU 24 -13.434 -1.460 -6.518 202 1HB LEU 24 HB2 LEU 24 -11.063 -1.752 -7.500 203 2HB LEU 24 HB1 LEU 24 -10.501 -1.063 -5.993 204 HG LEU 24 HG LEU 24 -12.428 -3.182 -5.460 205 1HD1 LEU 24 HD12 LEU 24 -10.114 -3.848 -7.294 206 2HD1 LEU 24 HD11 LEU 24 -10.887 -5.051 -6.264 207 3HD1 LEU 24 HD13 LEU 24 -11.819 -4.231 -7.515 208 1HD2 LEU 24 HD21 LEU 24 -9.598 -2.529 -4.700 209 2HD2 LEU 24 HD23 LEU 24 -10.999 -2.833 -3.679 210 3HD2 LEU 24 HD22 LEU 24 -10.168 -4.172 -4.461 211 H LEU 25 HN LEU 25 -11.086 0.894 -5.140 212 HA LEU 25 HA LEU 25 -11.801 0.494 -2.404 213 1HB LEU 25 HB2 LEU 25 -10.531 2.718 -3.963 214 2HB LEU 25 HB1 LEU 25 -11.047 3.039 -2.315 215 HG LEU 25 HG LEU 25 -9.438 0.569 -2.890 216 1HD1 LEU 25 HD11 LEU 25 -8.314 3.362 -2.516 217 2HD1 LEU 25 HD13 LEU 25 -7.366 1.874 -2.525 218 3HD1 LEU 25 HD12 LEU 25 -8.207 2.394 -3.985 219 1HD2 LEU 25 HD21 LEU 25 -9.693 2.475 -0.534 220 2HD2 LEU 25 HD23 LEU 25 -10.324 0.831 -0.636 221 3HD2 LEU 25 HD22 LEU 25 -8.586 1.105 -0.584 222 H LYS 26 HN LYS 26 -12.998 2.942 -4.738 223 HA LYS 26 HA LYS 26 -14.857 4.183 -3.044 224 1HB LYS 26 HB2 LYS 26 -14.458 3.932 -5.939 225 2HB LYS 26 HB1 LYS 26 -16.150 4.144 -5.489 226 1HG LYS 26 HG2 LYS 26 -15.625 6.157 -4.241 227 2HG LYS 26 HG1 LYS 26 -13.897 5.909 -4.495 228 1HD LYS 26 HD2 LYS 26 -14.152 6.224 -6.891 229 2HD LYS 26 HD1 LYS 26 -15.905 6.319 -6.727 230 1HE LYS 26 HE2 LYS 26 -15.800 8.399 -5.595 231 2HE LYS 26 HE1 LYS 26 -14.077 8.222 -5.261 232 1HZ LYS 26 HZ1 LYS 26 -13.964 8.128 -7.860 233 2HZ LYS 26 HZ3 LYS 26 -15.422 8.988 -7.746 234 3HZ LYS 26 HZ2 LYS 26 -14.009 9.615 -7.040 235 H GLU 27 HN GLU 27 -15.082 1.144 -4.812 236 HA GLU 27 HA GLU 27 -17.808 0.602 -4.638 237 1HB GLU 27 HB2 GLU 27 -15.704 -0.825 -5.496 238 2HB GLU 27 HB1 GLU 27 -15.953 -1.622 -3.943 239 1HG GLU 27 HG2 GLU 27 -18.466 -1.687 -4.662 240 2HG GLU 27 HG1 GLU 27 -17.829 -1.433 -6.287 241 H LEU 28 HN LEU 28 -15.325 0.297 -2.137 242 HA LEU 28 HA LEU 28 -17.163 -0.850 -0.193 243 1HB LEU 28 HB2 LEU 28 -14.376 -0.507 -0.391 244 2HB LEU 28 HB1 LEU 28 -14.863 0.486 0.980 245 HG LEU 28 HG LEU 28 -14.352 -1.769 1.756 246 1HD1 LEU 28 HD13 LEU 28 -16.675 -0.377 2.287 247 2HD1 LEU 28 HD12 LEU 28 -17.278 -1.987 1.894 248 3HD1 LEU 28 HD11 LEU 28 -16.104 -1.778 3.192 249 1HD2 LEU 28 HD23 LEU 28 -15.549 -2.513 -0.710 250 2HD2 LEU 28 HD22 LEU 28 -14.814 -3.574 0.491 251 3HD2 LEU 28 HD21 LEU 28 -16.539 -3.217 0.568 252 H GLY 29 HN GLY 29 -15.417 2.256 -0.150 253 1HA GLY 29 HA2 GLY 29 -17.507 4.031 0.057 254 2HA GLY 29 HA1 GLY 29 -17.318 3.400 1.687 255 H PHE 30 HN PHE 30 -14.521 3.695 -0.389 256 HA PHE 30 HA PHE 30 -13.469 5.782 1.454 257 1HB PHE 30 HB2 PHE 30 -12.120 3.865 -0.466 258 2HB PHE 30 HB1 PHE 30 -11.264 5.179 0.320 259 HD1 PHE 30 HD2 PHE 30 -11.725 5.332 2.932 260 HD2 PHE 30 HD1 PHE 30 -12.100 1.775 0.560 261 HE1 PHE 30 HE2 PHE 30 -11.393 3.947 4.964 262 HE2 PHE 30 HE1 PHE 30 -11.778 0.387 2.593 263 HZ PHE 30 HZ PHE 30 -11.425 1.474 4.794 264 H ASN 31 HN ASN 31 -12.795 7.794 0.662 265 HA ASN 31 HA ASN 31 -12.783 8.250 -2.258 266 1HB ASN 31 HB2 ASN 31 -15.157 8.603 -1.303 267 2HB ASN 31 HB1 ASN 31 -14.486 10.032 -0.518 268 1HD2 ASN 31 HD22 ASN 31 -15.718 10.561 -4.178 269 2HD2 ASN 31 HD21 ASN 31 -16.364 9.511 -3.011 270 H ASN 32 HN ASN 32 -10.474 8.382 -0.998 271 HA ASN 32 HA ASN 32 -9.678 11.138 -1.187 272 1HB ASN 32 HB2 ASN 32 -10.884 10.796 1.178 273 2HB ASN 32 HB1 ASN 32 -9.289 10.192 1.622 274 1HD2 ASN 32 HD22 ASN 32 -7.689 13.389 1.130 275 2HD2 ASN 32 HD21 ASN 32 -7.403 11.719 1.017 276 H VAL 33 HN VAL 33 -7.990 10.321 -2.463 277 HA VAL 33 HA VAL 33 -5.799 9.022 -0.943 278 HB VAL 33 HB VAL 33 -5.620 7.139 -2.276 279 1HG1 VAL 33 HG11 VAL 33 -7.866 7.142 -1.164 280 2HG1 VAL 33 HG13 VAL 33 -8.555 7.774 -2.656 281 3HG1 VAL 33 HG12 VAL 33 -7.816 6.175 -2.635 282 1HG2 VAL 33 HG22 VAL 33 -6.900 8.830 -4.428 283 2HG2 VAL 33 HG21 VAL 33 -5.309 8.067 -4.433 284 3HG2 VAL 33 HG23 VAL 33 -6.760 7.083 -4.598 285 H GLU 34 HN GLU 34 -3.887 8.742 -2.681 286 HA GLU 34 HA GLU 34 -3.814 11.107 -4.474 287 1HB GLU 34 HB2 GLU 34 -2.235 10.747 -2.013 288 2HB GLU 34 HB1 GLU 34 -1.269 11.130 -3.440 289 1HG GLU 34 HG2 GLU 34 -3.756 12.680 -2.677 290 2HG GLU 34 HG1 GLU 34 -2.141 13.151 -2.156 291 H GLU 35 HN GLU 35 -1.358 10.896 -5.549 292 HA GLU 35 HA GLU 35 -0.892 8.032 -6.165 293 1HB GLU 35 HB2 GLU 35 -1.207 10.049 -8.389 294 2HB GLU 35 HB1 GLU 35 -1.144 8.292 -8.514 295 1HG GLU 35 HG2 GLU 35 -3.440 8.832 -8.765 296 2HG GLU 35 HG1 GLU 35 -3.293 8.281 -7.099 297 H ALA 36 HN ALA 36 1.167 7.591 -7.015 298 HA ALA 36 HA ALA 36 3.042 9.868 -7.360 299 1HB ALA 36 HB3 ALA 36 3.000 8.151 -5.054 300 2HB ALA 36 HB2 ALA 36 4.472 7.837 -5.972 301 3HB ALA 36 HB1 ALA 36 4.109 9.470 -5.416 302 H GLU 37 HN GLU 37 5.275 8.786 -8.146 303 HA GLU 37 HA GLU 37 4.513 6.674 -10.136 304 1HB GLU 37 HB2 GLU 37 6.703 8.751 -10.361 305 2HB GLU 37 HB1 GLU 37 6.217 7.600 -11.605 306 1HG GLU 37 HG2 GLU 37 4.542 8.943 -12.283 307 2HG GLU 37 HG1 GLU 37 3.918 9.076 -10.639 308 H ASP 38 HN ASP 38 6.117 6.944 -7.283 309 HA ASP 38 HA ASP 38 7.413 4.454 -7.425 310 1HB ASP 38 HB2 ASP 38 9.857 5.522 -7.434 311 2HB ASP 38 HB1 ASP 38 9.067 5.053 -8.939 312 H GLY 39 HN GLY 39 9.422 4.531 -5.686 313 1HA GLY 39 HA2 GLY 39 8.167 5.466 -3.257 314 2HA GLY 39 HA1 GLY 39 9.777 4.752 -3.355 315 H VAL 40 HN VAL 40 10.512 6.805 -5.464 316 HA VAL 40 HA VAL 40 11.597 8.786 -3.678 317 HB VAL 40 HB VAL 40 11.407 8.493 -6.665 318 1HG1 VAL 40 HG12 VAL 40 12.047 10.995 -5.110 319 2HG1 VAL 40 HG11 VAL 40 12.795 10.694 -6.679 320 3HG1 VAL 40 HG13 VAL 40 11.041 10.818 -6.549 321 1HG2 VAL 40 HG21 VAL 40 13.193 7.368 -5.316 322 2HG2 VAL 40 HG23 VAL 40 13.840 8.522 -6.481 323 3HG2 VAL 40 HG22 VAL 40 13.737 8.956 -4.776 324 H ASP 41 HN ASP 41 8.858 8.743 -5.925 325 HA ASP 41 HA ASP 41 8.027 11.460 -5.296 326 1HB ASP 41 HB2 ASP 41 7.533 9.973 -7.401 327 2HB ASP 41 HB1 ASP 41 6.213 9.347 -6.424 328 H ALA 42 HN ALA 42 7.069 8.182 -4.320 329 HA ALA 42 HA ALA 42 4.841 8.936 -2.704 330 1HB ALA 42 HB1 ALA 42 5.721 6.576 -3.473 331 2HB ALA 42 HB3 ALA 42 6.619 6.640 -1.962 332 3HB ALA 42 HB2 ALA 42 4.861 6.730 -1.942 333 H LEU 43 HN LEU 43 8.313 8.666 -1.987 334 HA LEU 43 HA LEU 43 8.112 9.096 0.833 335 1HB LEU 43 HB2 LEU 43 10.250 9.261 -1.218 336 2HB LEU 43 HB1 LEU 43 10.510 10.233 0.228 337 HG LEU 43 HG LEU 43 9.639 7.360 0.467 338 1HD1 LEU 43 HD11 LEU 43 12.475 8.394 0.157 339 2HD1 LEU 43 HD13 LEU 43 12.047 6.760 0.665 340 3HD1 LEU 43 HD12 LEU 43 11.631 7.317 -0.956 341 1HD2 LEU 43 HD23 LEU 43 9.926 9.341 2.308 342 2HD2 LEU 43 HD22 LEU 43 10.170 7.635 2.677 343 3HD2 LEU 43 HD21 LEU 43 11.555 8.665 2.320 344 H ASN 44 HN ASN 44 8.686 11.397 -1.843 345 HA ASN 44 HA ASN 44 8.722 13.732 -0.192 346 1HB ASN 44 HB2 ASN 44 8.395 13.153 -3.094 347 2HB ASN 44 HB1 ASN 44 7.837 14.728 -2.532 348 1HD2 ASN 44 HD22 ASN 44 11.779 14.103 -2.966 349 2HD2 ASN 44 HD21 ASN 44 10.603 13.025 -3.547 350 H LYS 45 HN LYS 45 6.086 11.850 -1.551 351 HA LYS 45 HA LYS 45 4.107 13.923 -0.848 352 1HB LYS 45 HB2 LYS 45 3.971 12.429 -2.920 353 2HB LYS 45 HB1 LYS 45 3.537 11.122 -1.823 354 1HG LYS 45 HG2 LYS 45 1.402 11.835 -1.997 355 2HG LYS 45 HG1 LYS 45 1.888 13.212 -1.013 356 1HD LYS 45 HD2 LYS 45 2.096 13.149 -4.042 357 2HD LYS 45 HD1 LYS 45 0.739 13.848 -3.162 358 1HE LYS 45 HE2 LYS 45 3.635 14.731 -2.996 359 2HE LYS 45 HE1 LYS 45 2.299 15.626 -3.715 360 1HZ LYS 45 HZ2 LYS 45 1.225 15.662 -1.531 361 2HZ LYS 45 HZ1 LYS 45 2.572 14.878 -0.855 362 3HZ LYS 45 HZ3 LYS 45 2.738 16.435 -1.506 363 H LEU 46 HN LEU 46 5.411 10.986 0.515 364 HA LEU 46 HA LEU 46 3.262 10.235 2.216 365 1HB LEU 46 HB2 LEU 46 6.021 9.538 1.894 366 2HB LEU 46 HB1 LEU 46 5.734 9.837 3.603 367 HG LEU 46 HG LEU 46 5.323 7.473 3.050 368 1HD1 LEU 46 HD11 LEU 46 3.499 9.235 4.340 369 2HD1 LEU 46 HD13 LEU 46 2.548 8.041 3.457 370 3HD1 LEU 46 HD12 LEU 46 3.746 7.516 4.640 371 1HD2 LEU 46 HD23 LEU 46 4.055 8.609 0.740 372 2HD2 LEU 46 HD22 LEU 46 4.363 6.911 1.095 373 3HD2 LEU 46 HD21 LEU 46 2.862 7.665 1.630 374 H GLN 47 HN GLN 47 5.455 12.928 2.386 375 HA GLN 47 HA GLN 47 5.037 13.445 5.225 376 1HB GLN 47 HB2 GLN 47 5.927 15.795 4.434 377 2HB GLN 47 HB1 GLN 47 7.021 14.411 4.465 378 1HG GLN 47 HG2 GLN 47 6.841 14.078 2.120 379 2HG GLN 47 HG1 GLN 47 5.425 15.124 2.003 380 1HE2 GLN 47 HE22 GLN 47 8.345 17.619 3.094 381 2HE2 GLN 47 HE21 GLN 47 7.545 16.575 4.168 382 H ALA 48 HN ALA 48 2.991 13.628 2.631 383 HA ALA 48 HA ALA 48 1.698 16.073 2.685 384 1HB ALA 48 HB2 ALA 48 1.052 14.111 1.263 385 2HB ALA 48 HB1 ALA 48 0.279 13.395 2.678 386 3HB ALA 48 HB3 ALA 48 -0.329 14.911 2.014 387 H GLY 49 HN GLY 49 0.193 13.398 4.489 388 1HA GLY 49 HA2 GLY 49 0.144 15.048 6.943 389 2HA GLY 49 HA1 GLY 49 -1.422 14.671 6.222 390 H GLY 50 HN GLY 50 0.877 12.231 5.674 391 1HA GLY 50 HA2 GLY 50 1.381 10.245 6.920 392 2HA GLY 50 HA1 GLY 50 0.234 10.761 8.157 393 OH TYR 51 OH TYR 51 -1.230 12.060 -0.334 394 H TYR 51 HN TYR 51 0.540 9.223 5.009 395 HA TYR 51 HA TYR 51 -2.276 8.816 4.577 396 1HB TYR 51 HB2 TYR 51 0.223 7.515 3.497 397 2HB TYR 51 HB1 TYR 51 -1.382 6.949 3.041 398 HD1 TYR 51 HD2 TYR 51 -2.909 8.363 1.738 399 HD2 TYR 51 HD1 TYR 51 1.020 9.704 2.836 400 HE1 TYR 51 HE2 TYR 51 -3.088 10.232 0.114 401 HE2 TYR 51 HE1 TYR 51 0.840 11.569 1.217 402 HH TYR 51 HH TYR 51 -1.539 12.835 0.141 403 H GLY 52 HN GLY 52 -3.380 7.783 6.213 404 1HA GLY 52 HA2 GLY 52 -2.394 5.852 7.990 405 2HA GLY 52 HA1 GLY 52 -4.082 5.957 7.516 406 H PHE 53 HN PHE 53 -2.724 5.592 4.641 407 HA PHE 53 HA PHE 53 -2.118 2.705 4.794 408 1HB PHE 53 HB2 PHE 53 -4.735 3.566 4.414 409 2HB PHE 53 HB1 PHE 53 -4.170 3.196 2.793 410 HD1 PHE 53 HD2 PHE 53 -4.528 1.821 6.229 411 HD2 PHE 53 HD1 PHE 53 -3.861 0.954 2.090 412 HE1 PHE 53 HE2 PHE 53 -4.904 -0.573 6.673 413 HE2 PHE 53 HE1 PHE 53 -4.255 -1.432 2.518 414 HZ PHE 53 HZ PHE 53 -4.757 -2.226 4.822 415 H VAL 54 HN VAL 54 -0.630 2.218 3.223 416 HA VAL 54 HA VAL 54 -0.483 4.049 0.855 417 HB VAL 54 HB VAL 54 1.832 2.847 2.394 418 1HG1 VAL 54 HG12 VAL 54 1.562 3.992 -0.325 419 2HG1 VAL 54 HG11 VAL 54 2.897 4.638 0.631 420 3HG1 VAL 54 HG13 VAL 54 2.791 2.905 0.323 421 1HG2 VAL 54 HG22 VAL 54 0.707 5.638 2.089 422 2HG2 VAL 54 HG21 VAL 54 1.063 4.761 3.576 423 3HG2 VAL 54 HG23 VAL 54 2.381 5.365 2.572 424 H ILE 55 HN ILE 55 -1.053 2.945 -0.875 425 HA ILE 55 HA ILE 55 -0.535 0.017 -1.007 426 HB ILE 55 HB ILE 55 -2.247 1.803 -2.772 427 1HG1 ILE 55 HG12 ILE 55 -3.161 -0.185 -0.681 428 2HG1 ILE 55 HG11 ILE 55 -2.952 1.529 -0.329 429 1HG2 ILE 55 HG22 ILE 55 -1.953 -1.203 -2.563 430 2HG2 ILE 55 HG21 ILE 55 -3.228 -0.395 -3.474 431 3HG2 ILE 55 HG23 ILE 55 -1.542 -0.193 -3.951 432 1HD1 ILE 55 HD11 ILE 55 -4.617 0.630 -2.674 433 2HD1 ILE 55 HD13 ILE 55 -5.309 0.718 -1.054 434 3HD1 ILE 55 HD12 ILE 55 -4.663 2.171 -1.817 435 H SER 56 HN SER 56 1.805 0.523 -1.392 436 HA SER 56 HA SER 56 2.388 1.664 -4.077 437 1HB SER 56 HB2 SER 56 4.451 2.237 -3.262 438 2HB SER 56 HB1 SER 56 3.610 2.131 -1.720 439 HG SER 56 HG SER 56 5.060 0.048 -2.998 440 H ASP 57 HN ASP 57 2.924 0.340 -5.753 441 HA ASP 57 HA ASP 57 2.874 -2.519 -5.465 442 1HB ASP 57 HB2 ASP 57 2.551 -0.961 -7.587 443 2HB ASP 57 HB1 ASP 57 4.288 -1.206 -7.763 444 CH2 TRP 58 CH2 TRP 58 10.418 -5.636 -1.436 445 H TRP 58 HN TRP 58 4.790 -3.937 -6.009 446 HA TRP 58 HA TRP 58 6.980 -3.505 -4.263 447 1HB TRP 58 HB2 TRP 58 6.124 -5.490 -6.092 448 2HB TRP 58 HB1 TRP 58 7.755 -5.074 -6.585 449 HD1 TRP 58 HD1 TRP 58 6.503 -7.744 -4.995 450 HE1 TRP 58 HE1 TRP 58 7.827 -8.596 -2.965 451 HE3 TRP 58 HE3 TRP 58 9.266 -3.571 -3.879 452 HZ2 TRP 58 HZ2 TRP 58 9.794 -7.653 -1.121 453 HZ3 TRP 58 HZ3 TRP 58 10.844 -3.607 -1.988 454 HH2 TRP 58 HH2 TRP 58 11.113 -5.650 -0.612 455 H ASN 59 HN ASN 59 6.238 -1.750 -6.996 456 HA ASN 59 HA ASN 59 7.480 -0.356 -8.419 457 1HB ASN 59 HB2 ASN 59 9.099 -0.266 -5.864 458 2HB ASN 59 HB1 ASN 59 9.299 0.866 -7.202 459 1HD2 ASN 59 HD22 ASN 59 6.152 2.509 -6.593 460 2HD2 ASN 59 HD21 ASN 59 7.236 2.104 -7.835 461 H MET 60 HN MET 60 10.372 0.045 -8.309 462 HA MET 60 HA MET 60 11.931 -2.241 -8.476 463 1HB MET 60 HB2 MET 60 10.982 -3.405 -10.158 464 2HB MET 60 HB1 MET 60 10.066 -2.026 -10.740 465 1HG MET 60 HG2 MET 60 11.985 -1.196 -11.978 466 2HG MET 60 HG1 MET 60 13.039 -2.406 -11.239 467 1HE MET 60 HE1 MET 60 13.873 -2.806 -13.449 468 2HE MET 60 HE3 MET 60 13.756 -4.437 -12.776 469 3HE MET 60 HE2 MET 60 13.278 -4.132 -14.444 470 HA PRO 61 HA PRO 61 13.918 1.214 -11.206 471 1HB PRO 61 HB2 PRO 61 12.463 3.659 -10.774 472 2HB PRO 61 HB1 PRO 61 12.735 2.810 -12.301 473 1HG PRO 61 HG2 PRO 61 10.272 3.029 -10.870 474 2HG PRO 61 HG1 PRO 61 10.581 2.078 -12.329 475 1HD PRO 61 HD2 PRO 61 10.209 1.154 -9.607 476 2HD PRO 61 HD1 PRO 61 10.333 0.192 -11.089 477 H ASN 62 HN ASN 62 15.659 1.798 -9.985 478 HA ASN 62 HA ASN 62 16.891 2.423 -8.077 479 1HB ASN 62 HB2 ASN 62 14.933 4.629 -7.596 480 2HB ASN 62 HB1 ASN 62 16.696 4.684 -7.637 481 1HD2 ASN 62 HD22 ASN 62 14.630 5.566 -10.974 482 2HD2 ASN 62 HD21 ASN 62 13.882 5.356 -9.466 483 H MET 63 HN MET 63 15.669 3.922 -5.802 484 HA MET 63 HA MET 63 15.159 1.845 -4.011 485 1HB MET 63 HB2 MET 63 13.743 3.626 -2.762 486 2HB MET 63 HB1 MET 63 15.447 3.981 -3.046 487 1HG MET 63 HG2 MET 63 13.658 4.798 -5.244 488 2HG MET 63 HG1 MET 63 13.376 5.649 -3.726 489 1HE MET 63 HE2 MET 63 15.486 6.203 -2.197 490 2HE MET 63 HE1 MET 63 16.524 7.458 -2.868 491 3HE MET 63 HE3 MET 63 14.765 7.631 -2.934 492 H ASP 64 HN ASP 64 13.620 0.276 -4.158 493 HA ASP 64 HA ASP 64 11.146 0.809 -5.654 494 1HB ASP 64 HB2 ASP 64 10.736 -1.685 -4.831 495 2HB ASP 64 HB1 ASP 64 11.867 -1.343 -6.135 496 H GLY 65 HN GLY 65 9.330 -0.807 -4.157 497 1HA GLY 65 HA2 GLY 65 8.307 1.097 -2.338 498 2HA GLY 65 HA1 GLY 65 7.777 -0.556 -2.410 499 H LEU 66 HN LEU 66 11.089 -0.603 -1.874 500 HA LEU 66 HA LEU 66 10.639 -1.344 0.920 501 1HB LEU 66 HB2 LEU 66 12.397 -2.256 -0.961 502 2HB LEU 66 HB1 LEU 66 13.426 -1.144 -0.074 503 HG LEU 66 HG LEU 66 12.923 -2.303 2.031 504 1HD1 LEU 66 HD11 LEU 66 10.854 -3.588 0.358 505 2HD1 LEU 66 HD13 LEU 66 11.742 -4.696 1.406 506 3HD1 LEU 66 HD12 LEU 66 10.889 -3.320 2.099 507 1HD2 LEU 66 HD21 LEU 66 14.440 -3.290 -0.086 508 2HD2 LEU 66 HD23 LEU 66 14.542 -3.817 1.594 509 3HD2 LEU 66 HD22 LEU 66 13.516 -4.689 0.457 510 H GLU 67 HN GLU 67 13.055 0.912 -0.523 511 HA GLU 67 HA GLU 67 13.717 2.238 1.858 512 1HB GLU 67 HB2 GLU 67 14.378 2.638 -0.742 513 2HB GLU 67 HB1 GLU 67 13.286 4.002 -0.496 514 1HG GLU 67 HG2 GLU 67 15.482 4.776 0.087 515 2HG GLU 67 HG1 GLU 67 14.616 4.537 1.606 516 H LEU 68 HN LEU 68 10.783 2.178 0.126 517 HA LEU 68 HA LEU 68 9.556 4.608 1.065 518 1HB LEU 68 HB2 LEU 68 8.882 2.284 -0.485 519 2HB LEU 68 HB1 LEU 68 7.609 2.570 0.686 520 HG LEU 68 HG LEU 68 8.730 4.715 -1.127 521 1HD1 LEU 68 HD13 LEU 68 6.527 2.705 -1.507 522 2HD1 LEU 68 HD12 LEU 68 6.353 4.314 -2.207 523 3HD1 LEU 68 HD11 LEU 68 7.709 3.290 -2.675 524 1HD2 LEU 68 HD22 LEU 68 6.981 4.726 1.144 525 2HD2 LEU 68 HD21 LEU 68 7.455 6.083 0.128 526 3HD2 LEU 68 HD23 LEU 68 6.031 5.128 -0.285 527 H LEU 69 HN LEU 69 8.986 1.208 1.993 528 HA LEU 69 HA LEU 69 7.555 1.709 4.383 529 1HB LEU 69 HB2 LEU 69 9.469 -0.542 3.756 530 2HB LEU 69 HB1 LEU 69 8.271 -0.560 5.038 531 HG LEU 69 HG LEU 69 7.602 -0.200 2.111 532 1HD1 LEU 69 HD11 LEU 69 7.858 -2.643 3.840 533 2HD1 LEU 69 HD13 LEU 69 6.652 -2.609 2.556 534 3HD1 LEU 69 HD12 LEU 69 8.359 -2.413 2.165 535 1HD2 LEU 69 HD23 LEU 69 6.108 -0.071 4.614 536 2HD2 LEU 69 HD22 LEU 69 5.629 0.417 2.994 537 3HD2 LEU 69 HD21 LEU 69 5.448 -1.262 3.502 538 H LYS 70 HN LYS 70 10.880 0.574 4.218 539 HA LYS 70 HA LYS 70 11.880 0.853 6.698 540 1HB LYS 70 HB2 LYS 70 13.387 0.343 4.893 541 2HB LYS 70 HB1 LYS 70 13.170 1.945 4.186 542 1HG LYS 70 HG2 LYS 70 14.577 2.945 5.686 543 2HG LYS 70 HG1 LYS 70 14.075 1.894 7.011 544 1HD LYS 70 HD2 LYS 70 15.409 0.056 6.106 545 2HD LYS 70 HD1 LYS 70 15.854 1.037 4.709 546 1HE LYS 70 HE2 LYS 70 17.661 1.047 6.382 547 2HE LYS 70 HE1 LYS 70 16.968 2.659 6.206 548 1HZ LYS 70 HZ2 LYS 70 15.438 1.473 8.127 549 2HZ LYS 70 HZ1 LYS 70 17.010 0.939 8.488 550 3HZ LYS 70 HZ3 LYS 70 16.680 2.600 8.395 551 H THR 71 HN THR 71 11.620 3.735 4.563 552 HA THR 71 HA THR 71 12.389 5.624 6.554 553 HB THR 71 HB THR 71 10.614 5.850 4.115 554 HG1 THR 71 HG1 THR 71 12.893 7.319 4.279 555 1HG2 THR 71 HG23 THR 71 11.180 7.812 6.283 556 2HG2 THR 71 HG22 THR 71 11.232 8.410 4.626 557 3HG2 THR 71 HG21 THR 71 9.762 7.660 5.247 558 H ILE 72 HN ILE 72 9.162 4.468 5.576 559 HA ILE 72 HA ILE 72 7.634 5.976 7.432 560 HB ILE 72 HB ILE 72 7.108 3.178 6.389 561 1HG1 ILE 72 HG12 ILE 72 5.894 5.708 5.294 562 2HG1 ILE 72 HG11 ILE 72 7.502 5.224 4.763 563 1HG2 ILE 72 HG21 ILE 72 5.459 5.210 7.861 564 2HG2 ILE 72 HG23 ILE 72 4.673 4.130 6.709 565 3HG2 ILE 72 HG22 ILE 72 5.541 3.463 8.092 566 1HD1 ILE 72 HD12 ILE 72 5.618 2.982 4.702 567 2HD1 ILE 72 HD11 ILE 72 5.085 4.327 3.700 568 3HD1 ILE 72 HD13 ILE 72 6.665 3.604 3.426 569 NH1 ARG 73 NH1 ARG 73 13.215 -2.263 11.061 570 NH2 ARG 73 NH2 ARG 73 13.719 -1.495 8.996 571 H ARG 73 HN ARG 73 9.316 2.874 7.768 572 HA ARG 73 HA ARG 73 8.352 2.507 10.518 573 1HB ARG 73 HB2 ARG 73 8.769 0.569 9.009 574 2HB ARG 73 HB1 ARG 73 10.481 0.993 8.972 575 1HG ARG 73 HG2 ARG 73 9.467 0.831 11.703 576 2HG ARG 73 HG1 ARG 73 9.244 -0.683 10.827 577 1HD ARG 73 HD2 ARG 73 11.861 0.842 10.962 578 2HD ARG 73 HD1 ARG 73 11.461 -0.543 11.978 579 HE ARG 73 HE ARG 73 11.132 -1.161 9.167 580 1HH1 ARG 73 HH11 ARG 73 12.576 -2.332 11.828 581 2HH1 ARG 73 HH12 ARG 73 14.106 -2.714 11.111 582 1HH2 ARG 73 HH21 ARG 73 13.467 -0.975 8.180 583 2HH2 ARG 73 HH22 ARG 73 14.610 -1.946 9.046 584 H ALA 74 HN ALA 74 10.775 4.330 9.051 585 HA ALA 74 HA ALA 74 12.830 4.034 11.091 586 1HB ALA 74 HB1 ALA 74 13.116 4.890 8.670 587 2HB ALA 74 HB3 ALA 74 12.497 6.425 9.280 588 3HB ALA 74 HB2 ALA 74 13.988 5.749 9.940 589 H ASP 75 HN ASP 75 9.966 5.985 10.677 590 HA ASP 75 HA ASP 75 10.554 8.115 12.462 591 1HB ASP 75 HB2 ASP 75 8.524 7.886 10.938 592 2HB ASP 75 HB1 ASP 75 7.839 6.814 12.160 593 H GLY 76 HN GLY 76 11.796 6.919 14.138 594 1HA GLY 76 HA2 GLY 76 11.990 5.787 16.195 595 2HA GLY 76 HA1 GLY 76 10.487 6.630 16.571 596 H ALA 77 HN ALA 77 9.453 4.946 17.663 597 HA ALA 77 HA ALA 77 9.210 2.322 16.304 598 1HB ALA 77 HB1 ALA 77 8.554 3.346 19.063 599 2HB ALA 77 HB3 ALA 77 7.882 1.820 18.486 600 3HB ALA 77 HB2 ALA 77 9.629 2.026 18.603 601 H MET 78 HN MET 78 7.886 3.358 14.559 602 HA MET 78 HA MET 78 5.013 3.498 15.380 603 1HB MET 78 HB2 MET 78 6.160 5.765 14.810 604 2HB MET 78 HB1 MET 78 6.121 5.188 13.144 605 1HG MET 78 HG2 MET 78 3.590 4.645 13.758 606 2HG MET 78 HG1 MET 78 3.852 5.918 14.952 607 1HE MET 78 HE3 MET 78 1.944 7.230 13.867 608 2HE MET 78 HE2 MET 78 3.270 8.216 14.479 609 3HE MET 78 HE1 MET 78 2.508 8.631 12.946 610 H SER 79 HN SER 79 6.283 1.177 14.444 611 HA SER 79 HA SER 79 5.987 0.903 11.573 612 1HB SER 79 HB2 SER 79 5.789 -1.518 13.276 613 2HB SER 79 HB1 SER 79 6.812 -1.208 11.876 614 HG SER 79 HG SER 79 7.769 -1.301 14.127 615 H ALA 80 HN ALA 80 3.634 1.988 12.951 616 HA ALA 80 HA ALA 80 1.651 -0.195 12.827 617 1HB ALA 80 HB2 ALA 80 1.381 2.759 13.455 618 2HB ALA 80 HB1 ALA 80 0.045 1.608 13.488 619 3HB ALA 80 HB3 ALA 80 1.388 1.434 14.618 620 H LEU 81 HN LEU 81 2.321 2.893 11.212 621 HA LEU 81 HA LEU 81 0.413 3.278 9.358 622 1HB LEU 81 HB2 LEU 81 3.263 3.676 9.422 623 2HB LEU 81 HB1 LEU 81 2.757 3.278 7.783 624 HG LEU 81 HG LEU 81 2.707 5.732 8.264 625 1HD1 LEU 81 HD12 LEU 81 0.583 4.085 7.176 626 2HD1 LEU 81 HD11 LEU 81 -0.061 5.596 7.824 627 3HD1 LEU 81 HD13 LEU 81 1.209 5.630 6.600 628 1HD2 LEU 81 HD23 LEU 81 1.598 4.967 10.682 629 2HD2 LEU 81 HD22 LEU 81 1.613 6.611 10.045 630 3HD2 LEU 81 HD21 LEU 81 0.204 5.581 9.793 631 HA PRO 82 HA PRO 82 0.311 -1.018 7.719 632 1HB PRO 82 HB2 PRO 82 -2.209 -0.398 6.489 633 2HB PRO 82 HB1 PRO 82 -1.901 -1.468 7.849 634 1HG PRO 82 HG2 PRO 82 -3.179 1.074 7.943 635 2HG PRO 82 HG1 PRO 82 -2.714 0.071 9.318 636 1HD PRO 82 HD2 PRO 82 -1.489 2.528 8.368 637 2HD PRO 82 HD1 PRO 82 -1.160 1.634 9.864 638 H VAL 83 HN VAL 83 0.933 -1.715 5.749 639 HA VAL 83 HA VAL 83 0.600 0.079 3.381 640 HB VAL 83 HB VAL 83 3.085 -1.361 4.330 641 1HG1 VAL 83 HG13 VAL 83 2.166 -0.755 1.520 642 2HG1 VAL 83 HG12 VAL 83 3.878 -0.662 1.902 643 3HG1 VAL 83 HG11 VAL 83 3.013 -2.179 2.130 644 1HG2 VAL 83 HG21 VAL 83 2.269 1.325 4.310 645 2HG2 VAL 83 HG23 VAL 83 3.907 0.730 4.556 646 3HG2 VAL 83 HG22 VAL 83 3.372 1.181 2.940 647 H LEU 84 HN LEU 84 -0.411 -0.998 1.800 648 HA LEU 84 HA LEU 84 -0.309 -3.961 1.915 649 1HB LEU 84 HB2 LEU 84 -2.575 -2.928 2.067 650 2HB LEU 84 HB1 LEU 84 -2.315 -2.226 0.472 651 HG LEU 84 HG LEU 84 -1.962 -4.528 -0.438 652 1HD1 LEU 84 HD12 LEU 84 -2.299 -5.189 2.442 653 2HD1 LEU 84 HD11 LEU 84 -3.115 -6.252 1.301 654 3HD1 LEU 84 HD13 LEU 84 -1.372 -6.021 1.196 655 1HD2 LEU 84 HD23 LEU 84 -4.387 -3.306 0.461 656 2HD2 LEU 84 HD22 LEU 84 -4.125 -4.342 -0.940 657 3HD2 LEU 84 HD21 LEU 84 -4.539 -5.056 0.620 658 H MET 85 HN MET 85 1.871 -3.609 0.929 659 HA MET 85 HA MET 85 2.285 -2.466 -1.583 660 1HB MET 85 HB2 MET 85 3.616 -4.556 0.023 661 2HB MET 85 HB1 MET 85 3.890 -4.695 -1.714 662 1HG MET 85 HG2 MET 85 4.860 -2.545 -1.854 663 2HG MET 85 HG1 MET 85 4.198 -2.051 -0.296 664 1HE MET 85 HE3 MET 85 6.206 -4.677 -2.081 665 2HE MET 85 HE2 MET 85 7.438 -5.227 -0.949 666 3HE MET 85 HE1 MET 85 5.760 -5.706 -0.712 667 H VAL 86 HN VAL 86 2.224 -3.360 -3.728 668 HA VAL 86 HA VAL 86 0.425 -5.747 -3.980 669 HB VAL 86 HB VAL 86 0.419 -3.359 -5.828 670 1HG1 VAL 86 HG13 VAL 86 -0.546 -5.926 -6.139 671 2HG1 VAL 86 HG12 VAL 86 -1.938 -5.063 -5.519 672 3HG1 VAL 86 HG11 VAL 86 -1.155 -4.509 -6.990 673 1HG2 VAL 86 HG22 VAL 86 -0.858 -3.796 -3.196 674 2HG2 VAL 86 HG21 VAL 86 -0.570 -2.296 -4.074 675 3HG2 VAL 86 HG23 VAL 86 -1.967 -3.295 -4.472 676 H THR 87 HN THR 87 1.204 -7.343 -5.215 677 HA THR 87 HA THR 87 2.993 -6.676 -7.481 678 HB THR 87 HB THR 87 4.244 -7.191 -5.140 679 HG1 THR 87 HG1 THR 87 4.805 -7.483 -7.807 680 1HG2 THR 87 HG22 THR 87 3.145 -9.498 -5.129 681 2HG2 THR 87 HG21 THR 87 4.188 -9.894 -6.496 682 3HG2 THR 87 HG23 THR 87 4.898 -9.470 -4.944 683 H ALA 88 HN ALA 88 3.595 -8.969 -8.560 684 HA ALA 88 HA ALA 88 1.001 -10.364 -8.818 685 1HB ALA 88 HB2 ALA 88 2.458 -9.668 -10.809 686 2HB ALA 88 HB1 ALA 88 3.557 -10.962 -10.330 687 3HB ALA 88 HB3 ALA 88 1.902 -11.342 -10.809 688 H GLU 89 HN GLU 89 3.239 -12.607 -9.658 689 HA GLU 89 HA GLU 89 2.649 -14.480 -7.677 690 1HB GLU 89 HB2 GLU 89 5.131 -14.094 -9.359 691 2HB GLU 89 HB1 GLU 89 4.965 -15.456 -8.250 692 1HG GLU 89 HG2 GLU 89 3.108 -16.335 -9.422 693 2HG GLU 89 HG1 GLU 89 2.823 -14.819 -10.277 694 H ALA 90 HN ALA 90 3.267 -14.759 -5.560 695 HA ALA 90 HA ALA 90 5.036 -12.691 -4.389 696 1HB ALA 90 HB2 ALA 90 2.706 -13.622 -3.463 697 2HB ALA 90 HB1 ALA 90 3.767 -14.818 -2.717 698 3HB ALA 90 HB3 ALA 90 3.991 -13.103 -2.374 699 H LYS 91 HN LYS 91 7.175 -13.203 -4.475 700 HA LYS 91 HA LYS 91 8.119 -15.948 -4.548 701 1HB LYS 91 HB2 LYS 91 9.270 -13.263 -4.760 702 2HB LYS 91 HB1 LYS 91 10.294 -14.355 -3.831 703 1HG LYS 91 HG2 LYS 91 10.908 -14.516 -6.180 704 2HG LYS 91 HG1 LYS 91 10.129 -16.022 -5.699 705 1HD LYS 91 HD2 LYS 91 8.123 -15.480 -6.827 706 2HD LYS 91 HD1 LYS 91 8.532 -13.766 -6.914 707 1HE LYS 91 HE2 LYS 91 10.287 -14.207 -8.524 708 2HE LYS 91 HE1 LYS 91 10.075 -15.948 -8.343 709 1HZ LYS 91 HZ2 LYS 91 7.835 -14.217 -9.182 710 2HZ LYS 91 HZ1 LYS 91 8.960 -14.803 -10.314 711 3HZ LYS 91 HZ3 LYS 91 8.029 -15.890 -9.405 712 H LYS 92 HN LYS 92 10.195 -16.129 -2.787 713 HA LYS 92 HA LYS 92 8.756 -16.259 -0.198 714 1HB LYS 92 HB2 LYS 92 11.322 -17.489 -1.220 715 2HB LYS 92 HB1 LYS 92 10.843 -17.580 0.476 716 1HG LYS 92 HG2 LYS 92 8.863 -18.800 -0.043 717 2HG LYS 92 HG1 LYS 92 9.005 -18.441 -1.764 718 1HD LYS 92 HD2 LYS 92 11.057 -19.788 -1.893 719 2HD LYS 92 HD1 LYS 92 10.955 -20.126 -0.165 720 1HE LYS 92 HE2 LYS 92 9.983 -22.031 -1.176 721 2HE LYS 92 HE1 LYS 92 8.599 -21.055 -0.682 722 1HZ LYS 92 HZ1 LYS 92 9.436 -20.236 -3.234 723 2HZ LYS 92 HZ3 LYS 92 9.255 -21.922 -3.247 724 3HZ LYS 92 HZ2 LYS 92 7.955 -20.933 -2.778 725 H GLU 93 HN GLU 93 12.240 -15.842 -0.579 726 HA GLU 93 HA GLU 93 12.611 -14.135 1.580 727 1HB GLU 93 HB2 GLU 93 14.313 -13.514 -0.754 728 2HB GLU 93 HB1 GLU 93 14.772 -14.017 0.874 729 1HG GLU 93 HG2 GLU 93 13.861 -16.335 0.241 730 2HG GLU 93 HG1 GLU 93 13.862 -15.754 -1.425 731 H ASN 94 HN ASN 94 10.869 -13.395 -1.216 732 HA ASN 94 HA ASN 94 11.535 -10.570 -1.381 733 1HB ASN 94 HB2 ASN 94 9.496 -12.377 -2.610 734 2HB ASN 94 HB1 ASN 94 9.220 -10.638 -2.668 735 1HD2 ASN 94 HD22 ASN 94 12.839 -11.604 -4.302 736 2HD2 ASN 94 HD21 ASN 94 12.477 -12.048 -2.704 737 H ILE 95 HN ILE 95 8.674 -12.342 -0.191 738 HA ILE 95 HA ILE 95 7.419 -9.984 0.895 739 HB ILE 95 HB ILE 95 6.915 -12.753 1.969 740 1HG1 ILE 95 HG12 ILE 95 5.960 -11.648 -0.696 741 2HG1 ILE 95 HG11 ILE 95 7.067 -13.005 -0.483 742 1HG2 ILE 95 HG21 ILE 95 5.733 -10.661 2.810 743 2HG2 ILE 95 HG23 ILE 95 5.001 -10.534 1.210 744 3HG2 ILE 95 HG22 ILE 95 4.672 -11.942 2.221 745 1HD1 ILE 95 HD12 ILE 95 5.056 -13.863 1.081 746 2HD1 ILE 95 HD11 ILE 95 4.126 -12.879 -0.048 747 3HD1 ILE 95 HD13 ILE 95 5.120 -14.207 -0.647 748 H ILE 96 HN ILE 96 9.785 -12.252 2.129 749 HA ILE 96 HA ILE 96 9.492 -11.656 4.912 750 HB ILE 96 HB ILE 96 12.027 -12.447 3.459 751 1HG1 ILE 96 HG12 ILE 96 9.835 -14.181 4.648 752 2HG1 ILE 96 HG11 ILE 96 10.129 -13.955 2.924 753 1HG2 ILE 96 HG21 ILE 96 11.487 -11.837 6.170 754 2HG2 ILE 96 HG23 ILE 96 11.621 -13.592 6.076 755 3HG2 ILE 96 HG22 ILE 96 12.947 -12.576 5.510 756 1HD1 ILE 96 HD12 ILE 96 12.628 -14.656 3.954 757 2HD1 ILE 96 HD11 ILE 96 11.497 -15.703 4.810 758 3HD1 ILE 96 HD13 ILE 96 11.543 -15.708 3.048 759 H ALA 97 HN ALA 97 12.086 -10.527 2.733 760 HA ALA 97 HA ALA 97 13.224 -8.589 4.349 761 1HB ALA 97 HB2 ALA 97 12.722 -8.583 1.373 762 2HB ALA 97 HB1 ALA 97 13.613 -7.284 2.165 763 3HB ALA 97 HB3 ALA 97 14.225 -8.937 2.223 764 H ALA 98 HN ALA 98 10.570 -7.931 2.053 765 HA ALA 98 HA ALA 98 10.086 -5.287 2.961 766 1HB ALA 98 HB1 ALA 98 9.060 -6.886 0.974 767 2HB ALA 98 HB3 ALA 98 7.692 -6.746 2.079 768 3HB ALA 98 HB2 ALA 98 8.434 -5.295 1.408 769 H ALA 99 HN ALA 99 8.616 -8.370 4.005 770 HA ALA 99 HA ALA 99 6.706 -7.319 5.769 771 1HB ALA 99 HB3 ALA 99 8.365 -9.844 5.981 772 2HB ALA 99 HB2 ALA 99 7.006 -9.480 7.045 773 3HB ALA 99 HB1 ALA 99 6.738 -9.689 5.315 774 H GLN 100 HN GLN 100 10.142 -8.040 6.388 775 HA GLN 100 HA GLN 100 10.138 -7.363 9.153 776 1HB GLN 100 HB2 GLN 100 12.036 -8.190 7.293 777 2HB GLN 100 HB1 GLN 100 12.588 -6.582 7.764 778 1HG GLN 100 HG2 GLN 100 13.569 -8.129 9.319 779 2HG GLN 100 HG1 GLN 100 12.272 -7.299 10.179 780 1HE2 GLN 100 HE22 GLN 100 11.777 -11.258 9.180 781 2HE2 GLN 100 HE21 GLN 100 12.915 -10.325 8.334 782 H ALA 101 HN ALA 101 9.904 -5.367 6.336 783 HA ALA 101 HA ALA 101 10.789 -2.944 7.771 784 1HB ALA 101 HB2 ALA 101 9.746 -3.419 4.970 785 2HB ALA 101 HB1 ALA 101 10.161 -1.822 5.590 786 3HB ALA 101 HB3 ALA 101 11.403 -3.064 5.450 787 H GLY 102 HN GLY 102 8.143 -2.476 5.639 788 1HA GLY 102 HA2 GLY 102 6.236 -2.233 7.885 789 2HA GLY 102 HA1 GLY 102 6.439 -0.895 6.767 790 H ALA 103 HN ALA 103 6.931 -3.619 5.057 791 HA ALA 103 HA ALA 103 4.656 -3.477 3.399 792 1HB ALA 103 HB1 ALA 103 7.021 -4.794 3.298 793 2HB ALA 103 HB3 ALA 103 5.927 -6.130 3.652 794 3HB ALA 103 HB2 ALA 103 5.665 -5.130 2.222 795 H SER 104 HN SER 104 4.355 -4.085 6.489 796 HA SER 104 HA SER 104 3.286 -6.379 7.315 797 1HB SER 104 HB2 SER 104 1.973 -3.662 7.511 798 2HB SER 104 HB1 SER 104 1.311 -5.074 8.332 799 HG SER 104 HG SER 104 3.431 -3.531 8.989 800 H GLY 105 HN GLY 105 1.672 -4.415 4.828 801 1HA GLY 105 HA2 GLY 105 -0.393 -6.561 4.595 802 2HA GLY 105 HA1 GLY 105 -0.569 -4.925 3.976 803 OH TYR 106 OH TYR 106 3.217 -11.344 -3.747 804 H TYR 106 HN TYR 106 -0.313 -7.901 2.847 805 HA TYR 106 HA TYR 106 1.243 -7.032 0.453 806 1HB TYR 106 HB2 TYR 106 2.778 -8.467 1.652 807 2HB TYR 106 HB1 TYR 106 1.517 -9.674 1.911 808 HD1 TYR 106 HD1 TYR 106 3.783 -8.149 -0.571 809 HD2 TYR 106 HD2 TYR 106 0.755 -11.137 0.066 810 HE1 TYR 106 HE1 TYR 106 4.364 -9.201 -2.717 811 HE2 TYR 106 HE2 TYR 106 1.344 -12.181 -2.091 812 HH TYR 106 HH TYR 106 4.127 -11.118 -3.950 813 H VAL 107 HN VAL 107 -0.242 -7.024 -1.130 814 HA VAL 107 HA VAL 107 -2.215 -9.272 -1.234 815 HB VAL 107 HB VAL 107 -3.163 -6.931 -0.936 816 1HG1 VAL 107 HG11 VAL 107 -1.363 -5.973 -2.517 817 2HG1 VAL 107 HG13 VAL 107 -2.378 -6.575 -3.826 818 3HG1 VAL 107 HG12 VAL 107 -3.006 -5.366 -2.711 819 1HG2 VAL 107 HG22 VAL 107 -3.790 -8.551 -3.419 820 2HG2 VAL 107 HG21 VAL 107 -4.563 -8.682 -1.840 821 3HG2 VAL 107 HG23 VAL 107 -4.816 -7.243 -2.827 822 H VAL 108 HN VAL 108 -2.011 -10.592 -2.964 823 HA VAL 108 HA VAL 108 -0.003 -9.861 -4.997 824 HB VAL 108 HB VAL 108 0.198 -12.109 -4.156 825 1HG1 VAL 108 HG12 VAL 108 -2.666 -11.964 -4.043 826 2HG1 VAL 108 HG11 VAL 108 -2.213 -13.365 -5.013 827 3HG1 VAL 108 HG13 VAL 108 -1.604 -13.198 -3.367 828 1HG2 VAL 108 HG23 VAL 108 -0.039 -11.542 -6.824 829 2HG2 VAL 108 HG22 VAL 108 0.461 -13.109 -6.188 830 3HG2 VAL 108 HG21 VAL 108 -1.220 -12.839 -6.646 831 H LYS 109 HN LYS 109 -0.963 -8.478 -6.511 832 HA LYS 109 HA LYS 109 -3.731 -8.549 -7.256 833 1HB LYS 109 HB2 LYS 109 -3.027 -7.008 -9.071 834 2HB LYS 109 HB1 LYS 109 -2.292 -6.565 -7.545 835 1HG LYS 109 HG2 LYS 109 -0.311 -6.640 -8.628 836 2HG LYS 109 HG1 LYS 109 -0.497 -8.394 -8.629 837 1HD LYS 109 HD2 LYS 109 -1.871 -8.105 -10.771 838 2HD LYS 109 HD1 LYS 109 -1.274 -6.445 -10.808 839 1HE LYS 109 HE2 LYS 109 1.074 -7.617 -10.484 840 2HE LYS 109 HE1 LYS 109 0.234 -9.010 -11.166 841 1HZ LYS 109 HZ3 LYS 109 -0.122 -6.443 -12.506 842 2HZ LYS 109 HZ2 LYS 109 1.392 -7.196 -12.670 843 3HZ LYS 109 HZ1 LYS 109 -0.018 -8.003 -13.163 844 HA PRO 110 HA PRO 110 -4.939 -8.052 -9.304 845 1HB PRO 110 HB2 PRO 110 -6.894 -9.877 -10.305 846 2HB PRO 110 HB1 PRO 110 -6.126 -8.539 -11.170 847 1HG PRO 110 HG2 PRO 110 -5.742 -11.315 -11.658 848 2HG PRO 110 HG1 PRO 110 -4.826 -9.979 -12.370 849 1HD PRO 110 HD2 PRO 110 -4.014 -11.856 -10.256 850 2HD PRO 110 HD1 PRO 110 -3.011 -10.758 -11.226 851 H PHE 111 HN PHE 111 -6.901 -7.847 -8.014 852 HA PHE 111 HA PHE 111 -7.597 -10.197 -6.325 853 1HB PHE 111 HB2 PHE 111 -7.864 -8.572 -4.369 854 2HB PHE 111 HB1 PHE 111 -6.228 -8.996 -4.804 855 HD1 PHE 111 HD1 PHE 111 -8.875 -6.390 -5.496 856 HD2 PHE 111 HD2 PHE 111 -4.685 -7.290 -5.167 857 HE1 PHE 111 HE1 PHE 111 -8.305 -4.018 -5.870 858 HE2 PHE 111 HE2 PHE 111 -4.152 -4.911 -5.528 859 HZ PHE 111 HZ PHE 111 -5.955 -3.276 -5.885 860 H THR 112 HN THR 112 -9.706 -10.085 -5.465 861 HA THR 112 HA THR 112 -11.546 -8.458 -7.130 862 HB THR 112 HB THR 112 -12.680 -10.273 -5.084 863 HG1 THR 112 HG1 THR 112 -10.696 -11.303 -5.873 864 1HG2 THR 112 HG21 THR 112 -13.999 -9.180 -6.871 865 2HG2 THR 112 HG23 THR 112 -13.036 -10.025 -8.084 866 3HG2 THR 112 HG22 THR 112 -14.076 -10.937 -6.990 867 H ALA 113 HN ALA 113 -13.005 -6.944 -6.139 868 HA ALA 113 HA ALA 113 -12.071 -5.434 -3.981 869 1HB ALA 113 HB1 ALA 113 -14.161 -5.106 -5.613 870 2HB ALA 113 HB3 ALA 113 -15.039 -5.768 -4.235 871 3HB ALA 113 HB2 ALA 113 -14.093 -4.290 -4.051 872 H ALA 114 HN ALA 114 -14.205 -8.274 -3.898 873 HA ALA 114 HA ALA 114 -14.563 -8.176 -1.032 874 1HB ALA 114 HB2 ALA 114 -14.830 -10.398 -3.078 875 2HB ALA 114 HB1 ALA 114 -15.111 -10.667 -1.357 876 3HB ALA 114 HB3 ALA 114 -16.125 -9.533 -2.249 877 H THR 115 HN THR 115 -12.165 -9.528 -3.226 878 HA THR 115 HA THR 115 -10.739 -11.014 -1.195 879 HB THR 115 HB THR 115 -9.607 -9.833 -3.729 880 HG1 THR 115 HG1 THR 115 -11.194 -12.087 -3.246 881 1HG2 THR 115 HG23 THR 115 -8.144 -10.899 -1.850 882 2HG2 THR 115 HG22 THR 115 -8.814 -12.421 -2.436 883 3HG2 THR 115 HG21 THR 115 -7.876 -11.396 -3.521 884 H LEU 116 HN LEU 116 -9.708 -7.945 -2.906 885 HA LEU 116 HA LEU 116 -7.767 -7.111 -1.145 886 1HB LEU 116 HB2 LEU 116 -9.334 -5.853 -3.090 887 2HB LEU 116 HB1 LEU 116 -9.695 -4.950 -1.625 888 HG LEU 116 HG LEU 116 -7.040 -5.277 -3.042 889 1HD1 LEU 116 HD12 LEU 116 -8.924 -3.089 -2.528 890 2HD1 LEU 116 HD11 LEU 116 -7.287 -2.698 -2.030 891 3HD1 LEU 116 HD13 LEU 116 -7.606 -3.183 -3.686 892 1HD2 LEU 116 HD21 LEU 116 -7.498 -4.951 -0.136 893 2HD2 LEU 116 HD23 LEU 116 -6.089 -5.561 -1.001 894 3HD2 LEU 116 HD22 LEU 116 -6.365 -3.824 -0.865 895 H GLU 117 HN GLU 117 -11.292 -6.679 -0.694 896 HA GLU 117 HA GLU 117 -11.204 -5.344 1.784 897 1HB GLU 117 HB2 GLU 117 -13.248 -5.707 0.371 898 2HB GLU 117 HB1 GLU 117 -13.283 -7.375 0.946 899 1HG GLU 117 HG2 GLU 117 -12.997 -5.783 3.255 900 2HG GLU 117 HG1 GLU 117 -14.218 -4.978 2.271 901 H GLU 118 HN GLU 118 -11.610 -8.849 1.236 902 HA GLU 118 HA GLU 118 -11.633 -9.714 3.880 903 1HB GLU 118 HB2 GLU 118 -11.410 -11.800 3.009 904 2HB GLU 118 HB1 GLU 118 -11.523 -10.978 1.457 905 1HG GLU 118 HG2 GLU 118 -8.982 -10.754 1.523 906 2HG GLU 118 HG1 GLU 118 -9.008 -11.852 2.905 907 H LYS 119 HN LYS 119 -8.886 -8.533 2.038 908 HA LYS 119 HA LYS 119 -6.885 -9.456 3.921 909 1HB LYS 119 HB2 LYS 119 -6.815 -8.349 1.393 910 2HB LYS 119 HB1 LYS 119 -6.238 -7.022 2.401 911 1HG LYS 119 HG2 LYS 119 -4.312 -8.326 1.773 912 2HG LYS 119 HG1 LYS 119 -4.631 -8.647 3.477 913 1HD LYS 119 HD2 LYS 119 -4.795 -10.842 3.019 914 2HD LYS 119 HD1 LYS 119 -6.167 -10.512 1.962 915 1HE LYS 119 HE2 LYS 119 -4.665 -10.107 0.078 916 2HE LYS 119 HE1 LYS 119 -3.259 -10.321 1.122 917 1HZ LYS 119 HZ2 LYS 119 -4.245 -12.590 1.625 918 2HZ LYS 119 HZ1 LYS 119 -5.237 -12.343 0.266 919 3HZ LYS 119 HZ3 LYS 119 -3.550 -12.374 0.090 920 H LEU 120 HN LEU 120 -8.441 -6.283 3.365 921 HA LEU 120 HA LEU 120 -7.188 -4.792 5.370 922 1HB LEU 120 HB2 LEU 120 -10.147 -4.757 4.694 923 2HB LEU 120 HB1 LEU 120 -9.284 -3.477 5.519 924 HG LEU 120 HG LEU 120 -9.127 -4.307 2.628 925 1HD1 LEU 120 HD12 LEU 120 -10.664 -2.494 3.471 926 2HD1 LEU 120 HD11 LEU 120 -9.233 -1.586 3.959 927 3HD1 LEU 120 HD13 LEU 120 -9.508 -1.949 2.255 928 1HD2 LEU 120 HD21 LEU 120 -7.008 -2.818 4.209 929 2HD2 LEU 120 HD23 LEU 120 -6.788 -4.227 3.168 930 3HD2 LEU 120 HD22 LEU 120 -7.177 -2.659 2.465 931 H ASN 121 HN ASN 121 -10.180 -6.717 5.816 932 HA ASN 121 HA ASN 121 -10.514 -6.318 8.551 933 1HB ASN 121 HB2 ASN 121 -11.209 -8.459 6.650 934 2HB ASN 121 HB1 ASN 121 -11.081 -9.004 8.323 935 1HD2 ASN 121 HD22 ASN 121 -13.730 -6.732 9.422 936 2HD2 ASN 121 HD21 ASN 121 -12.190 -7.246 9.920 937 H LYS 122 HN LYS 122 -7.987 -8.115 6.960 938 HA LYS 122 HA LYS 122 -7.132 -9.401 9.468 939 1HB LYS 122 HB2 LYS 122 -6.773 -9.974 6.749 940 2HB LYS 122 HB1 LYS 122 -5.185 -9.441 7.294 941 1HG LYS 122 HG2 LYS 122 -5.191 -11.770 7.714 942 2HG LYS 122 HG1 LYS 122 -5.533 -11.052 9.286 943 1HD LYS 122 HD2 LYS 122 -8.054 -11.271 8.416 944 2HD LYS 122 HD1 LYS 122 -7.344 -12.565 7.454 945 1HE LYS 122 HE2 LYS 122 -6.235 -13.226 9.777 946 2HE LYS 122 HE1 LYS 122 -7.620 -12.347 10.426 947 1HZ LYS 122 HZ1 LYS 122 -8.416 -14.053 8.308 948 2HZ LYS 122 HZ3 LYS 122 -7.584 -14.940 9.490 949 3HZ LYS 122 HZ2 LYS 122 -8.949 -14.026 9.921 950 H ILE 123 HN ILE 123 -6.407 -6.580 7.551 951 HA ILE 123 HA ILE 123 -3.878 -6.008 8.912 952 HB ILE 123 HB ILE 123 -5.607 -4.178 7.227 953 1HG1 ILE 123 HG12 ILE 123 -5.040 -6.123 5.897 954 2HG1 ILE 123 HG11 ILE 123 -4.016 -4.788 5.384 955 1HG2 ILE 123 HG23 ILE 123 -2.700 -4.078 8.073 956 2HG2 ILE 123 HG22 ILE 123 -3.416 -3.011 6.863 957 3HG2 ILE 123 HG21 ILE 123 -3.979 -2.955 8.533 958 1HD1 ILE 123 HD12 ILE 123 -2.317 -5.743 7.128 959 2HD1 ILE 123 HD11 ILE 123 -3.284 -7.213 7.005 960 3HD1 ILE 123 HD13 ILE 123 -2.495 -6.555 5.575 961 H PHE 124 HN PHE 124 -7.267 -4.984 9.201 962 HA PHE 124 HA PHE 124 -6.525 -2.970 11.188 963 1HB PHE 124 HB2 PHE 124 -9.166 -3.861 10.032 964 2HB PHE 124 HB1 PHE 124 -9.018 -2.618 11.278 965 HD1 PHE 124 HD2 PHE 124 -7.546 -0.608 10.853 966 HD2 PHE 124 HD1 PHE 124 -8.617 -3.388 7.763 967 HE1 PHE 124 HE2 PHE 124 -6.862 1.040 9.136 968 HE2 PHE 124 HE1 PHE 124 -7.919 -1.738 6.055 969 HZ PHE 124 HZ PHE 124 -7.053 0.453 6.723 970 H GLU 125 HN GLU 125 -7.065 -6.290 11.277 971 HA GLU 125 HA GLU 125 -8.324 -6.345 13.917 972 1HB GLU 125 HB2 GLU 125 -7.547 -8.287 11.915 973 2HB GLU 125 HB1 GLU 125 -6.884 -8.756 13.480 974 1HG GLU 125 HG2 GLU 125 -9.070 -8.663 14.510 975 2HG GLU 125 HG1 GLU 125 -9.778 -7.973 13.050 976 H LYS 126 HN LYS 126 -5.262 -5.794 12.581 977 HA LYS 126 HA LYS 126 -3.863 -6.279 15.165 978 1HB LYS 126 HB2 LYS 126 -2.821 -7.206 13.098 979 2HB LYS 126 HB1 LYS 126 -2.742 -5.576 12.428 980 1HG LYS 126 HG2 LYS 126 -1.135 -4.874 13.995 981 2HG LYS 126 HG1 LYS 126 -1.513 -6.188 15.110 982 1HD LYS 126 HD2 LYS 126 -0.176 -7.679 14.013 983 2HD LYS 126 HD1 LYS 126 -0.588 -7.032 12.424 984 1HE LYS 126 HE2 LYS 126 0.882 -5.100 12.813 985 2HE LYS 126 HE1 LYS 126 1.280 -5.715 14.417 986 1HZ LYS 126 HZ1 LYS 126 1.677 -7.750 12.519 987 2HZ LYS 126 HZ3 LYS 126 2.489 -6.357 11.996 988 3HZ LYS 126 HZ2 LYS 126 2.821 -7.005 13.531 989 H LEU 127 HN LEU 127 -4.903 -3.840 12.877 990 HA LEU 127 HA LEU 127 -3.467 -1.650 14.166 991 1HB LEU 127 HB2 LEU 127 -4.537 -1.893 11.697 992 2HB LEU 127 HB1 LEU 127 -5.898 -1.114 12.505 993 HG LEU 127 HG LEU 127 -3.046 -0.085 12.375 994 1HD1 LEU 127 HD12 LEU 127 -4.789 0.076 10.393 995 2HD1 LEU 127 HD11 LEU 127 -5.481 1.359 11.385 996 3HD1 LEU 127 HD13 LEU 127 -3.811 1.479 10.832 997 1HD2 LEU 127 HD21 LEU 127 -5.483 0.824 13.903 998 2HD2 LEU 127 HD23 LEU 127 -3.826 0.637 14.483 999 3HD2 LEU 127 HD22 LEU 127 -4.242 1.978 13.417 1000 H GLY 128 HN GLY 128 -6.601 -3.219 14.444 1001 1HA GLY 128 HA2 GLY 128 -8.250 -2.997 16.101 1002 2HA GLY 128 HA1 GLY 128 -7.062 -2.105 17.053 1003 H MET 129 HN MET 129 -9.291 -1.704 14.294 1004 HA MET 129 HA MET 129 -9.270 1.225 14.713 1005 1HB MET 129 HB2 MET 129 -9.971 -0.597 12.533 1006 2HB MET 129 HB1 MET 129 -11.188 0.656 12.781 1007 1HG MET 129 HG2 MET 129 -8.221 1.227 12.557 1008 2HG MET 129 HG1 MET 129 -9.336 1.313 11.194 1009 1HE MET 129 HE1 MET 129 -7.729 3.604 11.559 1010 2HE MET 129 HE3 MET 129 -9.174 3.834 10.564 1011 3HE MET 129 HE2 MET 129 -8.742 5.027 11.786 Start of MODEL 19 Raw file had 1011 H/Q atoms Start of MODEL 19 1 H ALA 2 HN ALA 2 -13.490 -0.446 7.135 2 HA ALA 2 HA ALA 2 -13.051 1.047 9.618 3 1HB ALA 2 HB3 ALA 2 -11.306 -0.203 8.084 4 2HB ALA 2 HB2 ALA 2 -11.296 1.320 7.196 5 3HB ALA 2 HB1 ALA 2 -10.845 1.291 8.900 6 H ASP 3 HN ASP 3 -11.928 3.395 8.996 7 HA ASP 3 HA ASP 3 -13.977 5.206 8.566 8 1HB ASP 3 HB2 ASP 3 -11.254 5.413 8.917 9 2HB ASP 3 HB1 ASP 3 -11.472 6.078 7.298 10 H LYS 4 HN LYS 4 -14.745 6.397 6.727 11 HA LYS 4 HA LYS 4 -14.660 4.826 4.227 12 1HB LYS 4 HB2 LYS 4 -16.332 7.123 5.223 13 2HB LYS 4 HB1 LYS 4 -16.360 6.660 3.528 14 1HG LYS 4 HG2 LYS 4 -16.920 4.312 4.245 15 2HG LYS 4 HG1 LYS 4 -17.053 4.903 5.901 16 1HD LYS 4 HD2 LYS 4 -19.128 5.687 5.518 17 2HD LYS 4 HD1 LYS 4 -18.592 6.572 4.091 18 1HE LYS 4 HE2 LYS 4 -19.162 3.597 4.113 19 2HE LYS 4 HE1 LYS 4 -20.327 4.819 3.602 20 1HZ LYS 4 HZ2 LYS 4 -17.638 4.831 2.425 21 2HZ LYS 4 HZ1 LYS 4 -18.765 3.684 1.878 22 3HZ LYS 4 HZ3 LYS 4 -19.113 5.339 1.752 23 H GLU 5 HN GLU 5 -12.400 6.659 5.287 24 HA GLU 5 HA GLU 5 -11.721 7.742 2.666 25 1HB GLU 5 HB2 GLU 5 -11.610 10.089 3.324 26 2HB GLU 5 HB1 GLU 5 -13.255 9.495 3.569 27 1HG GLU 5 HG2 GLU 5 -12.195 8.900 5.985 28 2HG GLU 5 HG1 GLU 5 -11.218 10.309 5.572 29 H LEU 6 HN LEU 6 -10.382 5.874 4.268 30 HA LEU 6 HA LEU 6 -8.375 7.145 5.876 31 1HB LEU 6 HB2 LEU 6 -9.048 4.776 6.188 32 2HB LEU 6 HB1 LEU 6 -8.414 4.394 4.594 33 HG LEU 6 HG LEU 6 -6.155 4.855 5.294 34 1HD1 LEU 6 HD13 LEU 6 -7.520 6.033 7.699 35 2HD1 LEU 6 HD12 LEU 6 -5.887 5.399 7.839 36 3HD1 LEU 6 HD11 LEU 6 -6.225 6.716 6.715 37 1HD2 LEU 6 HD21 LEU 6 -7.449 2.724 6.100 38 2HD2 LEU 6 HD23 LEU 6 -5.842 3.086 6.739 39 3HD2 LEU 6 HD22 LEU 6 -7.276 3.461 7.692 40 H LYS 7 HN LYS 7 -6.678 8.311 5.073 41 HA LYS 7 HA LYS 7 -6.225 8.792 2.354 42 1HB LYS 7 HB2 LYS 7 -4.831 9.348 4.854 43 2HB LYS 7 HB1 LYS 7 -3.722 9.158 3.496 44 1HG LYS 7 HG2 LYS 7 -5.030 10.795 2.191 45 2HG LYS 7 HG1 LYS 7 -6.140 10.988 3.548 46 1HD LYS 7 HD2 LYS 7 -4.504 12.023 4.896 47 2HD LYS 7 HD1 LYS 7 -3.178 11.430 3.894 48 1HE LYS 7 HE2 LYS 7 -3.896 13.925 3.651 49 2HE LYS 7 HE1 LYS 7 -3.603 12.986 2.187 50 1HZ LYS 7 HZ1 LYS 7 -6.269 13.356 3.440 51 2HZ LYS 7 HZ3 LYS 7 -5.693 14.262 2.126 52 3HZ LYS 7 HZ2 LYS 7 -5.939 12.589 1.960 53 H PHE 8 HN PHE 8 -5.585 7.447 0.763 54 HA PHE 8 HA PHE 8 -3.625 5.283 1.394 55 1HB PHE 8 HB2 PHE 8 -5.734 5.525 -0.776 56 2HB PHE 8 HB1 PHE 8 -4.450 4.339 -0.841 57 HD1 PHE 8 HD2 PHE 8 -7.506 5.383 0.853 58 HD2 PHE 8 HD1 PHE 8 -4.407 2.432 0.696 59 HE1 PHE 8 HE2 PHE 8 -8.828 3.920 2.346 60 HE2 PHE 8 HE1 PHE 8 -5.745 0.944 2.157 61 HZ PHE 8 HZ PHE 8 -7.949 1.703 3.020 62 H LEU 9 HN LEU 9 -1.819 5.086 -0.011 63 HA LEU 9 HA LEU 9 -1.489 7.329 -1.975 64 1HB LEU 9 HB2 LEU 9 0.002 7.660 -0.072 65 2HB LEU 9 HB1 LEU 9 0.634 6.036 -0.247 66 HG LEU 9 HG LEU 9 1.497 6.614 -2.495 67 1HD1 LEU 9 HD13 LEU 9 0.024 9.148 -1.879 68 2HD1 LEU 9 HD12 LEU 9 1.492 9.237 -2.854 69 3HD1 LEU 9 HD11 LEU 9 0.130 8.258 -3.398 70 1HD2 LEU 9 HD21 LEU 9 2.224 8.311 -0.131 71 2HD2 LEU 9 HD23 LEU 9 3.089 6.933 -0.814 72 3HD2 LEU 9 HD22 LEU 9 3.088 8.479 -1.661 73 H VAL 10 HN VAL 10 -1.759 6.358 -3.957 74 HA VAL 10 HA VAL 10 -0.709 3.611 -4.343 75 HB VAL 10 HB VAL 10 -1.764 4.038 -6.692 76 1HG1 VAL 10 HG12 VAL 10 -3.414 3.865 -4.156 77 2HG1 VAL 10 HG11 VAL 10 -4.020 3.483 -5.768 78 3HG1 VAL 10 HG13 VAL 10 -2.731 2.512 -5.058 79 1HG2 VAL 10 HG21 VAL 10 -1.988 6.498 -6.349 80 2HG2 VAL 10 HG23 VAL 10 -3.527 5.723 -6.717 81 3HG2 VAL 10 HG22 VAL 10 -3.148 6.182 -5.058 82 H VAL 11 HN VAL 11 1.488 3.692 -4.660 83 HA VAL 11 HA VAL 11 2.677 5.867 -6.203 84 HB VAL 11 HB VAL 11 3.989 3.459 -4.946 85 1HG1 VAL 11 HG12 VAL 11 4.979 5.683 -6.532 86 2HG1 VAL 11 HG11 VAL 11 5.756 5.608 -4.953 87 3HG1 VAL 11 HG13 VAL 11 5.807 4.213 -6.027 88 1HG2 VAL 11 HG22 VAL 11 3.399 6.217 -3.854 89 2HG2 VAL 11 HG21 VAL 11 2.909 4.664 -3.177 90 3HG2 VAL 11 HG23 VAL 11 4.605 5.147 -3.140 91 H ASP 12 HN ASP 12 0.945 4.125 -7.706 92 HA ASP 12 HA ASP 12 2.763 2.358 -9.230 93 1HB ASP 12 HB2 ASP 12 0.308 2.412 -10.549 94 2HB ASP 12 HB1 ASP 12 0.825 1.202 -9.373 95 H ASP 13 HN ASP 13 3.276 2.712 -11.428 96 HA ASP 13 HA ASP 13 2.997 5.540 -12.308 97 1HB ASP 13 HB2 ASP 13 5.252 4.285 -12.210 98 2HB ASP 13 HB1 ASP 13 4.683 3.417 -13.636 99 H PHE 14 HN PHE 14 1.694 2.439 -12.898 100 HA PHE 14 HA PHE 14 1.154 2.575 -15.694 101 1HB PHE 14 HB2 PHE 14 0.406 0.912 -13.482 102 2HB PHE 14 HB1 PHE 14 -1.051 1.334 -14.381 103 HD1 PHE 14 HD2 PHE 14 2.524 0.558 -15.246 104 HD2 PHE 14 HD1 PHE 14 -1.631 -0.228 -16.014 105 HE1 PHE 14 HE2 PHE 14 3.155 -1.057 -17.019 106 HE2 PHE 14 HE1 PHE 14 -0.997 -1.842 -17.785 107 HZ PHE 14 HZ PHE 14 1.395 -2.258 -18.288 108 H SER 15 HN SER 15 -0.437 3.636 -16.851 109 HA SER 15 HA SER 15 -1.949 5.717 -15.408 110 1HB SER 15 HB2 SER 15 -1.000 6.531 -17.415 111 2HB SER 15 HB1 SER 15 -1.455 5.088 -18.318 112 HG SER 15 HG SER 15 -3.280 6.022 -18.740 113 H THR 16 HN THR 16 -2.535 2.661 -15.461 114 HA THR 16 HA THR 16 -5.466 2.989 -15.902 115 HB THR 16 HB THR 16 -5.566 1.422 -17.525 116 HG1 THR 16 HG1 THR 16 -4.970 -0.594 -17.093 117 1HG2 THR 16 HG22 THR 16 -3.520 2.628 -18.255 118 2HG2 THR 16 HG21 THR 16 -2.538 1.453 -17.380 119 3HG2 THR 16 HG23 THR 16 -3.509 0.939 -18.758 120 H MET 17 HN MET 17 -2.837 1.036 -14.512 121 HA MET 17 HA MET 17 -4.310 -0.712 -12.900 122 1HB MET 17 HB2 MET 17 -1.871 -0.822 -13.032 123 2HB MET 17 HB1 MET 17 -1.734 0.736 -12.216 124 1HG MET 17 HG2 MET 17 -2.231 -0.141 -10.158 125 2HG MET 17 HG1 MET 17 -3.341 -1.340 -10.822 126 1HE MET 17 HE2 MET 17 -2.126 -2.386 -8.724 127 2HE MET 17 HE1 MET 17 -2.570 -3.685 -9.830 128 3HE MET 17 HE3 MET 17 -0.981 -3.686 -9.051 129 NH1 ARG 18 NH1 ARG 18 -3.061 6.979 -9.515 130 NH2 ARG 18 NH2 ARG 18 -1.590 7.520 -11.145 131 H ARG 18 HN ARG 18 -3.618 2.715 -12.382 132 HA ARG 18 HA ARG 18 -4.524 2.882 -9.679 133 1HB ARG 18 HB2 ARG 18 -4.874 5.280 -10.140 134 2HB ARG 18 HB1 ARG 18 -3.339 4.719 -10.753 135 1HG ARG 18 HG2 ARG 18 -4.673 4.294 -12.973 136 2HG ARG 18 HG1 ARG 18 -5.793 5.468 -12.278 137 1HD ARG 18 HD2 ARG 18 -2.856 5.865 -12.890 138 2HD ARG 18 HD1 ARG 18 -4.226 6.706 -13.615 139 HE ARG 18 HE ARG 18 -4.477 7.975 -11.574 140 1HH1 ARG 18 HH11 ARG 18 -3.997 6.782 -9.223 141 2HH1 ARG 18 HH12 ARG 18 -2.315 6.962 -8.848 142 1HH2 ARG 18 HH21 ARG 18 -1.400 7.735 -12.102 143 2HH2 ARG 18 HH22 ARG 18 -0.845 7.503 -10.478 144 NH1 ARG 19 NH2 ARG 19 -11.501 3.068 -17.619 145 NH2 ARG 19 NH1 ARG 19 -12.932 4.770 -17.212 146 H ARG 19 HN ARG 19 -6.218 3.441 -12.748 147 HA ARG 19 HA ARG 19 -8.650 4.207 -11.684 148 1HB ARG 19 HB2 ARG 19 -7.729 3.681 -14.214 149 2HB ARG 19 HB1 ARG 19 -8.921 2.399 -13.995 150 1HG ARG 19 HG2 ARG 19 -10.613 4.077 -13.352 151 2HG ARG 19 HG1 ARG 19 -9.423 5.360 -13.575 152 1HD ARG 19 HD2 ARG 19 -9.870 5.423 -15.777 153 2HD ARG 19 HD1 ARG 19 -9.445 3.718 -15.925 154 HE ARG 19 HE ARG 19 -12.085 3.952 -14.829 155 1HH1 ARG 19 HH21 ARG 19 -10.768 2.461 -17.311 156 2HH1 ARG 19 HH22 ARG 19 -11.868 2.982 -18.545 157 1HH2 ARG 19 HH11 ARG 19 -13.298 5.466 -16.593 158 2HH2 ARG 19 HH12 ARG 19 -13.300 4.683 -18.138 159 H ILE 20 HN ILE 20 -7.307 0.971 -11.960 160 HA ILE 20 HA ILE 20 -9.709 -0.496 -11.438 161 HB ILE 20 HB ILE 20 -6.782 -1.051 -11.326 162 1HG1 ILE 20 HG12 ILE 20 -7.433 -2.885 -12.789 163 2HG1 ILE 20 HG11 ILE 20 -9.138 -2.609 -12.432 164 1HG2 ILE 20 HG21 ILE 20 -8.870 -2.659 -9.834 165 2HG2 ILE 20 HG23 ILE 20 -7.371 -3.379 -10.418 166 3HG2 ILE 20 HG22 ILE 20 -7.314 -2.073 -9.237 167 1HD1 ILE 20 HD11 ILE 20 -7.545 -0.310 -13.483 168 2HD1 ILE 20 HD13 ILE 20 -7.999 -1.584 -14.614 169 3HD1 ILE 20 HD12 ILE 20 -9.245 -0.703 -13.732 170 H VAL 21 HN VAL 21 -7.082 0.454 -9.181 171 HA VAL 21 HA VAL 21 -8.506 -0.473 -6.876 172 HB VAL 21 HB VAL 21 -6.748 1.603 -6.074 173 1HG1 VAL 21 HG13 VAL 21 -6.443 -1.411 -6.230 174 2HG1 VAL 21 HG12 VAL 21 -5.413 -0.345 -5.274 175 3HG1 VAL 21 HG11 VAL 21 -7.125 -0.501 -4.883 176 1HG2 VAL 21 HG22 VAL 21 -5.899 1.546 -8.404 177 2HG2 VAL 21 HG21 VAL 21 -4.694 0.960 -7.260 178 3HG2 VAL 21 HG23 VAL 21 -5.606 -0.184 -8.245 179 NH1 ARG 22 NH2 ARG 22 -7.450 7.504 -10.534 180 NH2 ARG 22 NH1 ARG 22 -7.186 9.245 -9.117 181 H ARG 22 HN ARG 22 -8.496 2.624 -8.559 182 HA ARG 22 HA ARG 22 -9.585 4.334 -6.637 183 1HB ARG 22 HB2 ARG 22 -9.595 4.166 -9.546 184 2HB ARG 22 HB1 ARG 22 -11.101 4.846 -8.943 185 1HG ARG 22 HG2 ARG 22 -9.587 6.682 -9.281 186 2HG ARG 22 HG1 ARG 22 -9.716 6.442 -7.540 187 1HD ARG 22 HD2 ARG 22 -7.608 5.233 -7.498 188 2HD ARG 22 HD1 ARG 22 -7.512 5.268 -9.258 189 HE ARG 22 HE ARG 22 -6.655 7.378 -7.528 190 1HH1 ARG 22 HH21 ARG 22 -7.515 6.519 -10.691 191 2HH1 ARG 22 HH22 ARG 22 -7.525 8.139 -11.301 192 1HH2 ARG 22 HH11 ARG 22 -7.047 9.594 -8.190 193 2HH2 ARG 22 HH12 ARG 22 -7.260 9.881 -9.885 194 H ASN 23 HN ASN 23 -11.433 2.218 -8.836 195 HA ASN 23 HA ASN 23 -13.973 2.694 -7.591 196 1HB ASN 23 HB2 ASN 23 -12.982 1.475 -9.866 197 2HB ASN 23 HB1 ASN 23 -13.590 0.135 -8.934 198 1HD2 ASN 23 HD22 ASN 23 -16.256 2.993 -10.214 199 2HD2 ASN 23 HD21 ASN 23 -14.614 3.396 -10.062 200 H LEU 24 HN LEU 24 -11.928 -0.193 -7.672 201 HA LEU 24 HA LEU 24 -13.179 -1.881 -5.924 202 1HB LEU 24 HB2 LEU 24 -10.898 -2.077 -7.125 203 2HB LEU 24 HB1 LEU 24 -10.238 -1.334 -5.685 204 HG LEU 24 HG LEU 24 -11.970 -3.492 -4.883 205 1HD1 LEU 24 HD12 LEU 24 -9.938 -4.173 -7.023 206 2HD1 LEU 24 HD11 LEU 24 -10.600 -5.363 -5.905 207 3HD1 LEU 24 HD13 LEU 24 -11.665 -4.523 -7.030 208 1HD2 LEU 24 HD22 LEU 24 -9.061 -2.802 -4.606 209 2HD2 LEU 24 HD21 LEU 24 -10.278 -3.069 -3.363 210 3HD2 LEU 24 HD23 LEU 24 -9.579 -4.437 -4.220 211 H LEU 25 HN LEU 25 -10.870 0.656 -4.861 212 HA LEU 25 HA LEU 25 -11.303 0.232 -2.063 213 1HB LEU 25 HB2 LEU 25 -10.266 2.535 -3.702 214 2HB LEU 25 HB1 LEU 25 -10.543 2.747 -1.986 215 HG LEU 25 HG LEU 25 -8.829 0.544 -3.166 216 1HD1 LEU 25 HD13 LEU 25 -7.919 2.843 -3.549 217 2HD1 LEU 25 HD12 LEU 25 -7.973 3.114 -1.807 218 3HD1 LEU 25 HD11 LEU 25 -6.912 1.874 -2.473 219 1HD2 LEU 25 HD22 LEU 25 -9.686 1.310 -0.414 220 2HD2 LEU 25 HD21 LEU 25 -9.264 -0.274 -1.057 221 3HD2 LEU 25 HD23 LEU 25 -7.995 0.863 -0.608 222 H LYS 26 HN LYS 26 -12.738 2.632 -4.294 223 HA LYS 26 HA LYS 26 -14.464 3.853 -2.447 224 1HB LYS 26 HB2 LYS 26 -13.992 4.321 -5.014 225 2HB LYS 26 HB1 LYS 26 -15.437 3.332 -5.230 226 1HG LYS 26 HG2 LYS 26 -16.377 4.915 -3.306 227 2HG LYS 26 HG1 LYS 26 -15.152 6.015 -3.941 228 1HD LYS 26 HD2 LYS 26 -16.100 5.767 -6.206 229 2HD LYS 26 HD1 LYS 26 -17.328 4.670 -5.573 230 1HE LYS 26 HE2 LYS 26 -18.212 6.442 -4.134 231 2HE LYS 26 HE1 LYS 26 -16.947 7.542 -4.678 232 1HZ LYS 26 HZ1 LYS 26 -17.872 6.983 -7.007 233 2HZ LYS 26 HZ3 LYS 26 -19.263 6.501 -6.165 234 3HZ LYS 26 HZ2 LYS 26 -18.702 8.099 -6.032 235 H GLU 27 HN GLU 27 -14.737 0.769 -4.114 236 HA GLU 27 HA GLU 27 -17.480 0.262 -3.727 237 1HB GLU 27 HB2 GLU 27 -15.231 -1.187 -4.615 238 2HB GLU 27 HB1 GLU 27 -15.924 -2.133 -3.299 239 1HG GLU 27 HG2 GLU 27 -18.140 -2.023 -4.377 240 2HG GLU 27 HG1 GLU 27 -17.454 -1.070 -5.692 241 H LEU 28 HN LEU 28 -14.803 0.195 -1.471 242 HA LEU 28 HA LEU 28 -16.402 -1.187 0.581 243 1HB LEU 28 HB2 LEU 28 -13.633 0.042 0.650 244 2HB LEU 28 HB1 LEU 28 -14.374 -0.808 2.006 245 HG LEU 28 HG LEU 28 -14.308 -2.177 -0.656 246 1HD1 LEU 28 HD13 LEU 28 -11.952 -1.983 1.245 247 2HD1 LEU 28 HD12 LEU 28 -12.054 -3.065 -0.144 248 3HD1 LEU 28 HD11 LEU 28 -12.018 -1.319 -0.387 249 1HD2 LEU 28 HD21 LEU 28 -15.312 -2.926 1.706 250 2HD2 LEU 28 HD23 LEU 28 -14.555 -4.092 0.621 251 3HD2 LEU 28 HD22 LEU 28 -13.644 -3.431 1.978 252 H GLY 29 HN GLY 29 -15.236 2.081 -0.104 253 1HA GLY 29 HA2 GLY 29 -17.100 3.734 0.712 254 2HA GLY 29 HA1 GLY 29 -16.648 3.080 2.276 255 H PHE 30 HN PHE 30 -13.928 3.163 0.303 256 HA PHE 30 HA PHE 30 -12.900 5.481 1.818 257 1HB PHE 30 HB2 PHE 30 -11.564 3.595 -0.137 258 2HB PHE 30 HB1 PHE 30 -10.726 4.831 0.782 259 HD1 PHE 30 HD2 PHE 30 -11.150 4.742 3.396 260 HD2 PHE 30 HD1 PHE 30 -11.706 1.440 0.728 261 HE1 PHE 30 HE2 PHE 30 -10.907 3.167 5.299 262 HE2 PHE 30 HE1 PHE 30 -11.477 -0.140 2.624 263 HZ PHE 30 HZ PHE 30 -11.079 0.726 4.914 264 H ASN 31 HN ASN 31 -12.378 7.472 0.852 265 HA ASN 31 HA ASN 31 -12.502 7.709 -2.085 266 1HB ASN 31 HB2 ASN 31 -14.003 9.812 -1.533 267 2HB ASN 31 HB1 ASN 31 -14.731 8.223 -1.715 268 1HD2 ASN 31 HD22 ASN 31 -16.202 8.877 1.454 269 2HD2 ASN 31 HD21 ASN 31 -16.484 8.735 -0.215 270 H ASN 32 HN ASN 32 -10.097 7.995 -1.060 271 HA ASN 32 HA ASN 32 -9.395 10.746 -1.441 272 1HB ASN 32 HB2 ASN 32 -10.416 10.393 1.084 273 2HB ASN 32 HB1 ASN 32 -8.696 10.122 1.358 274 1HD2 ASN 32 HD22 ASN 32 -7.797 13.480 0.313 275 2HD2 ASN 32 HD21 ASN 32 -7.240 11.880 0.212 276 H VAL 33 HN VAL 33 -7.588 10.156 -2.624 277 HA VAL 33 HA VAL 33 -5.404 8.830 -1.130 278 HB VAL 33 HB VAL 33 -5.160 6.992 -2.503 279 1HG1 VAL 33 HG13 VAL 33 -7.444 6.884 -1.522 280 2HG1 VAL 33 HG12 VAL 33 -8.083 7.617 -2.991 281 3HG1 VAL 33 HG11 VAL 33 -7.325 6.027 -3.056 282 1HG2 VAL 33 HG22 VAL 33 -6.355 8.730 -4.671 283 2HG2 VAL 33 HG21 VAL 33 -4.742 8.015 -4.603 284 3HG2 VAL 33 HG23 VAL 33 -6.149 6.995 -4.886 285 H GLU 34 HN GLU 34 -3.408 8.712 -2.780 286 HA GLU 34 HA GLU 34 -3.382 11.142 -4.495 287 1HB GLU 34 HB2 GLU 34 -1.828 10.693 -2.035 288 2HB GLU 34 HB1 GLU 34 -0.867 11.206 -3.420 289 1HG GLU 34 HG2 GLU 34 -3.418 12.605 -2.579 290 2HG GLU 34 HG1 GLU 34 -1.824 13.108 -2.023 291 H GLU 35 HN GLU 35 -0.793 11.006 -5.396 292 HA GLU 35 HA GLU 35 -0.381 8.185 -6.240 293 1HB GLU 35 HB2 GLU 35 -0.407 10.433 -8.255 294 2HB GLU 35 HB1 GLU 35 -0.392 8.698 -8.563 295 1HG GLU 35 HG2 GLU 35 -2.651 8.491 -7.605 296 2HG GLU 35 HG1 GLU 35 -2.671 10.222 -7.266 297 H ALA 36 HN ALA 36 1.718 7.706 -6.917 298 HA ALA 36 HA ALA 36 3.748 9.848 -6.958 299 1HB ALA 36 HB1 ALA 36 3.264 8.449 -4.583 300 2HB ALA 36 HB3 ALA 36 4.669 7.647 -5.285 301 3HB ALA 36 HB2 ALA 36 4.711 9.380 -4.966 302 H GLU 37 HN GLU 37 6.028 8.383 -7.109 303 HA GLU 37 HA GLU 37 5.543 6.066 -8.889 304 1HB GLU 37 HB2 GLU 37 6.624 6.960 -10.783 305 2HB GLU 37 HB1 GLU 37 5.613 8.294 -10.224 306 1HG GLU 37 HG2 GLU 37 7.710 8.964 -8.815 307 2HG GLU 37 HG1 GLU 37 8.589 7.939 -9.950 308 H ASP 38 HN ASP 38 7.123 7.244 -6.323 309 HA ASP 38 HA ASP 38 9.049 5.193 -6.150 310 1HB ASP 38 HB2 ASP 38 10.752 5.900 -7.466 311 2HB ASP 38 HB1 ASP 38 9.878 7.375 -7.870 312 H GLY 39 HN GLY 39 10.810 6.007 -4.338 313 1HA GLY 39 HA2 GLY 39 9.164 7.006 -2.188 314 2HA GLY 39 HA1 GLY 39 10.901 6.716 -2.079 315 H VAL 40 HN VAL 40 11.664 8.533 -4.212 316 HA VAL 40 HA VAL 40 11.812 10.962 -2.766 317 HB VAL 40 HB VAL 40 11.746 10.909 -5.784 318 1HG1 VAL 40 HG11 VAL 40 12.107 12.976 -4.169 319 2HG1 VAL 40 HG13 VAL 40 13.743 12.326 -4.057 320 3HG1 VAL 40 HG12 VAL 40 13.086 12.797 -5.624 321 1HG2 VAL 40 HG23 VAL 40 13.697 9.625 -3.911 322 2HG2 VAL 40 HG22 VAL 40 13.197 9.118 -5.523 323 3HG2 VAL 40 HG21 VAL 40 14.335 10.451 -5.333 324 H ASP 41 HN ASP 41 9.464 9.811 -5.165 325 HA ASP 41 HA ASP 41 7.883 12.269 -5.027 326 1HB ASP 41 HB2 ASP 41 8.135 10.507 -6.964 327 2HB ASP 41 HB1 ASP 41 6.861 9.662 -6.092 328 H ALA 42 HN ALA 42 7.593 8.934 -3.817 329 HA ALA 42 HA ALA 42 5.055 9.430 -2.512 330 1HB ALA 42 HB3 ALA 42 6.198 7.165 -3.262 331 2HB ALA 42 HB2 ALA 42 6.898 7.228 -1.644 332 3HB ALA 42 HB1 ALA 42 5.148 7.203 -1.850 333 H LEU 43 HN LEU 43 8.334 8.826 -1.164 334 HA LEU 43 HA LEU 43 7.693 9.477 1.491 335 1HB LEU 43 HB2 LEU 43 9.898 9.164 1.890 336 2HB LEU 43 HB1 LEU 43 9.981 8.709 0.199 337 HG LEU 43 HG LEU 43 10.423 11.194 -0.298 338 1HD1 LEU 43 HD12 LEU 43 9.976 11.372 2.519 339 2HD1 LEU 43 HD11 LEU 43 11.685 11.701 2.238 340 3HD1 LEU 43 HD13 LEU 43 10.455 12.663 1.420 341 1HD2 LEU 43 HD22 LEU 43 12.216 9.200 0.974 342 2HD2 LEU 43 HD21 LEU 43 12.331 9.973 -0.607 343 3HD2 LEU 43 HD23 LEU 43 12.841 10.844 0.839 344 H ASN 44 HN ASN 44 8.532 11.715 -1.189 345 HA ASN 44 HA ASN 44 8.583 14.030 0.573 346 1HB ASN 44 HB2 ASN 44 8.210 13.795 -2.425 347 2HB ASN 44 HB1 ASN 44 8.344 15.328 -1.571 348 1HD2 ASN 44 HD22 ASN 44 11.807 14.768 -2.501 349 2HD2 ASN 44 HD21 ASN 44 10.361 15.395 -3.132 350 H LYS 45 HN LYS 45 6.150 12.571 -1.549 351 HA LYS 45 HA LYS 45 4.133 14.564 -0.898 352 1HB LYS 45 HB2 LYS 45 4.012 11.885 -2.301 353 2HB LYS 45 HB1 LYS 45 2.597 12.910 -2.063 354 1HG LYS 45 HG2 LYS 45 4.982 14.265 -3.185 355 2HG LYS 45 HG1 LYS 45 4.210 13.082 -4.241 356 1HD LYS 45 HD2 LYS 45 2.101 14.212 -4.116 357 2HD LYS 45 HD1 LYS 45 2.663 15.250 -2.806 358 1HE LYS 45 HE2 LYS 45 4.346 15.371 -5.215 359 2HE LYS 45 HE1 LYS 45 2.696 15.936 -5.471 360 1HZ LYS 45 HZ3 LYS 45 4.444 16.842 -3.251 361 2HZ LYS 45 HZ2 LYS 45 4.239 17.688 -4.711 362 3HZ LYS 45 HZ1 LYS 45 2.920 17.461 -3.665 363 H LEU 46 HN LEU 46 5.297 11.748 0.711 364 HA LEU 46 HA LEU 46 2.797 11.030 1.968 365 1HB LEU 46 HB2 LEU 46 5.491 10.050 2.006 366 2HB LEU 46 HB1 LEU 46 5.020 10.361 3.668 367 HG LEU 46 HG LEU 46 2.792 9.026 2.622 368 1HD1 LEU 46 HD11 LEU 46 4.350 8.545 0.633 369 2HD1 LEU 46 HD13 LEU 46 5.239 7.513 1.749 370 3HD1 LEU 46 HD12 LEU 46 3.549 7.168 1.398 371 1HD2 LEU 46 HD23 LEU 46 5.194 8.012 4.143 372 2HD2 LEU 46 HD22 LEU 46 3.688 8.633 4.820 373 3HD2 LEU 46 HD21 LEU 46 3.696 7.104 3.943 374 H GLN 47 HN GLN 47 5.222 13.434 2.538 375 HA GLN 47 HA GLN 47 4.633 13.974 5.298 376 1HB GLN 47 HB2 GLN 47 6.608 14.815 3.808 377 2HB GLN 47 HB1 GLN 47 5.495 16.103 3.349 378 1HG GLN 47 HG2 GLN 47 6.430 17.105 5.198 379 2HG GLN 47 HG1 GLN 47 5.145 16.205 6.005 380 1HE2 GLN 47 HE22 GLN 47 8.933 14.584 6.180 381 2HE2 GLN 47 HE21 GLN 47 8.454 15.402 4.771 382 H ALA 48 HN ALA 48 2.653 14.183 2.646 383 HA ALA 48 HA ALA 48 1.326 16.609 2.714 384 1HB ALA 48 HB1 ALA 48 0.781 14.540 1.302 385 2HB ALA 48 HB3 ALA 48 -0.182 13.992 2.674 386 3HB ALA 48 HB2 ALA 48 -0.594 15.496 1.851 387 H GLY 49 HN GLY 49 0.161 13.794 4.622 388 1HA GLY 49 HA2 GLY 49 -0.180 15.549 6.967 389 2HA GLY 49 HA1 GLY 49 -1.677 14.944 6.260 390 H GLY 50 HN GLY 50 0.944 12.787 5.884 391 1HA GLY 50 HA2 GLY 50 1.641 10.940 7.246 392 2HA GLY 50 HA1 GLY 50 0.410 11.384 8.434 393 OH TYR 51 OH TYR 51 -0.979 11.881 -0.260 394 H TYR 51 HN TYR 51 0.969 9.750 5.377 395 HA TYR 51 HA TYR 51 -1.744 9.097 4.806 396 1HB TYR 51 HB2 TYR 51 0.908 7.936 4.013 397 2HB TYR 51 HB1 TYR 51 -0.591 7.119 3.563 398 HD1 TYR 51 HD1 TYR 51 1.126 10.406 3.477 399 HD2 TYR 51 HD2 TYR 51 -1.899 7.897 1.758 400 HE1 TYR 51 HE1 TYR 51 0.752 12.082 1.696 401 HE2 TYR 51 HE2 TYR 51 -2.269 9.572 -0.032 402 HH TYR 51 HH TYR 51 -1.837 12.286 -0.112 403 H GLY 52 HN GLY 52 -3.080 7.810 5.880 404 1HA GLY 52 HA2 GLY 52 -2.114 6.121 8.038 405 2HA GLY 52 HA1 GLY 52 -3.784 6.265 7.509 406 H PHE 53 HN PHE 53 -2.250 5.768 4.694 407 HA PHE 53 HA PHE 53 -1.742 2.894 4.951 408 1HB PHE 53 HB2 PHE 53 -4.344 3.660 4.607 409 2HB PHE 53 HB1 PHE 53 -3.819 3.455 2.948 410 HD1 PHE 53 HD2 PHE 53 -1.802 1.182 3.421 411 HD2 PHE 53 HD1 PHE 53 -5.792 1.822 4.838 412 HE1 PHE 53 HE2 PHE 53 -2.120 -1.245 3.643 413 HE2 PHE 53 HE1 PHE 53 -6.119 -0.596 5.062 414 HZ PHE 53 HZ PHE 53 -4.278 -2.156 4.465 415 H VAL 54 HN VAL 54 -0.348 2.249 3.285 416 HA VAL 54 HA VAL 54 -0.133 4.089 0.922 417 HB VAL 54 HB VAL 54 2.161 2.904 2.505 418 1HG1 VAL 54 HG12 VAL 54 1.928 3.982 -0.253 419 2HG1 VAL 54 HG11 VAL 54 3.287 4.587 0.693 420 3HG1 VAL 54 HG13 VAL 54 3.108 2.855 0.415 421 1HG2 VAL 54 HG23 VAL 54 1.154 5.722 2.018 422 2HG2 VAL 54 HG22 VAL 54 1.302 4.892 3.567 423 3HG2 VAL 54 HG21 VAL 54 2.749 5.371 2.681 424 H ILE 55 HN ILE 55 -0.409 3.026 -0.928 425 HA ILE 55 HA ILE 55 0.009 0.065 -0.967 426 HB ILE 55 HB ILE 55 -1.599 1.726 -2.923 427 1HG1 ILE 55 HG12 ILE 55 -2.591 0.170 -0.511 428 2HG1 ILE 55 HG11 ILE 55 -2.512 1.930 -0.609 429 1HG2 ILE 55 HG23 ILE 55 -0.820 -0.532 -3.645 430 2HG2 ILE 55 HG22 ILE 55 -1.644 -1.231 -2.251 431 3HG2 ILE 55 HG21 ILE 55 -2.575 -0.430 -3.516 432 1HD1 ILE 55 HD12 ILE 55 -3.838 1.021 -2.957 433 2HD1 ILE 55 HD11 ILE 55 -4.572 0.186 -1.587 434 3HD1 ILE 55 HD13 ILE 55 -4.520 1.949 -1.621 435 H SER 56 HN SER 56 2.196 -0.006 -1.555 436 HA SER 56 HA SER 56 2.909 1.281 -4.169 437 1HB SER 56 HB2 SER 56 4.334 1.054 -1.614 438 2HB SER 56 HB1 SER 56 5.299 0.537 -2.988 439 HG SER 56 HG SER 56 4.315 3.028 -2.297 440 H ASP 57 HN ASP 57 3.901 -0.051 -5.738 441 HA ASP 57 HA ASP 57 3.353 -2.917 -5.445 442 1HB ASP 57 HB2 ASP 57 3.293 -1.294 -7.595 443 2HB ASP 57 HB1 ASP 57 4.940 -1.906 -7.756 444 CH2 TRP 58 CH2 TRP 58 9.944 -7.068 -1.273 445 H TRP 58 HN TRP 58 5.526 -4.005 -6.882 446 HA TRP 58 HA TRP 58 7.693 -3.773 -4.840 447 1HB TRP 58 HB2 TRP 58 6.550 -6.013 -5.377 448 2HB TRP 58 HB1 TRP 58 7.398 -5.945 -6.921 449 HD1 TRP 58 HD1 TRP 58 9.942 -6.460 -6.948 450 HE1 TRP 58 HE1 TRP 58 11.613 -7.283 -5.165 451 HE3 TRP 58 HE3 TRP 58 7.119 -5.839 -2.738 452 HZ2 TRP 58 HZ2 TRP 58 11.735 -7.635 -2.327 453 HZ3 TRP 58 HZ3 TRP 58 8.035 -6.426 -0.511 454 HH2 TRP 58 HH2 TRP 58 10.338 -7.322 -0.298 455 H ASN 59 HN ASN 59 6.961 -3.353 -8.228 456 HA ASN 59 HA ASN 59 9.834 -2.962 -8.880 457 1HB ASN 59 HB2 ASN 59 9.161 -3.876 -10.827 458 2HB ASN 59 HB1 ASN 59 7.465 -3.747 -10.361 459 1HD2 ASN 59 HD22 ASN 59 8.988 -1.115 -13.006 460 2HD2 ASN 59 HD21 ASN 59 9.864 -2.460 -12.455 461 H MET 60 HN MET 60 10.687 -0.946 -9.216 462 HA MET 60 HA MET 60 8.822 1.377 -9.357 463 1HB MET 60 HB2 MET 60 10.868 0.747 -7.325 464 2HB MET 60 HB1 MET 60 10.976 2.384 -7.965 465 1HG MET 60 HG2 MET 60 9.498 2.359 -6.015 466 2HG MET 60 HG1 MET 60 8.548 2.701 -7.459 467 1HE MET 60 HE1 MET 60 6.323 1.977 -7.261 468 2HE MET 60 HE3 MET 60 5.744 0.685 -6.200 469 3HE MET 60 HE2 MET 60 6.622 2.056 -5.528 470 HA PRO 61 HA PRO 61 11.297 2.760 -12.735 471 1HB PRO 61 HB2 PRO 61 11.810 5.422 -11.769 472 2HB PRO 61 HB1 PRO 61 10.631 4.912 -12.986 473 1HG PRO 61 HG2 PRO 61 10.129 5.753 -10.260 474 2HG PRO 61 HG1 PRO 61 8.951 5.319 -11.505 475 1HD PRO 61 HD2 PRO 61 9.631 3.807 -9.188 476 2HD PRO 61 HD1 PRO 61 8.571 3.312 -10.520 477 H ASN 62 HN ASN 62 12.666 4.624 -9.997 478 HA ASN 62 HA ASN 62 15.372 3.847 -10.849 479 1HB ASN 62 HB2 ASN 62 15.937 5.256 -8.715 480 2HB ASN 62 HB1 ASN 62 15.318 6.081 -10.147 481 1HD2 ASN 62 HD22 ASN 62 12.641 7.405 -8.299 482 2HD2 ASN 62 HD21 ASN 62 13.805 7.621 -9.515 483 H MET 63 HN MET 63 14.934 4.200 -7.458 484 HA MET 63 HA MET 63 16.141 1.676 -6.871 485 1HB MET 63 HB2 MET 63 14.378 3.198 -4.949 486 2HB MET 63 HB1 MET 63 15.795 2.213 -4.586 487 1HG MET 63 HG2 MET 63 15.751 4.891 -6.001 488 2HG MET 63 HG1 MET 63 16.459 4.531 -4.427 489 1HE MET 63 HE2 MET 63 18.603 5.498 -4.867 490 2HE MET 63 HE1 MET 63 18.893 3.940 -4.095 491 3HE MET 63 HE3 MET 63 19.927 4.479 -5.426 492 H ASP 64 HN ASP 64 14.811 0.237 -5.116 493 HA ASP 64 HA ASP 64 12.500 -0.788 -6.650 494 1HB ASP 64 HB2 ASP 64 12.636 -2.583 -4.756 495 2HB ASP 64 HB1 ASP 64 13.897 -2.556 -5.988 496 H GLY 65 HN GLY 65 10.716 -1.727 -4.974 497 1HA GLY 65 HA2 GLY 65 9.677 0.673 -3.620 498 2HA GLY 65 HA1 GLY 65 8.798 -0.835 -3.862 499 H LEU 66 HN LEU 66 11.007 -2.481 -2.785 500 HA LEU 66 HA LEU 66 10.230 -2.773 -0.126 501 1HB LEU 66 HB2 LEU 66 11.670 -4.413 -1.232 502 2HB LEU 66 HB1 LEU 66 12.979 -3.239 -1.330 503 HG LEU 66 HG LEU 66 13.165 -3.178 1.105 504 1HD1 LEU 66 HD12 LEU 66 10.663 -4.832 0.923 505 2HD1 LEU 66 HD11 LEU 66 11.742 -5.044 2.302 506 3HD1 LEU 66 HD13 LEU 66 11.020 -3.467 1.982 507 1HD2 LEU 66 HD22 LEU 66 12.997 -6.019 0.051 508 2HD2 LEU 66 HD21 LEU 66 14.390 -4.948 -0.099 509 3HD2 LEU 66 HD23 LEU 66 13.879 -5.511 1.492 510 H GLU 67 HN GLU 67 12.672 -0.586 -1.466 511 HA GLU 67 HA GLU 67 13.618 0.378 1.085 512 1HB GLU 67 HB2 GLU 67 15.090 0.846 -0.678 513 2HB GLU 67 HB1 GLU 67 13.790 1.357 -1.755 514 1HG GLU 67 HG2 GLU 67 13.566 3.447 -0.703 515 2HG GLU 67 HG1 GLU 67 14.368 2.897 0.769 516 H LEU 68 HN LEU 68 11.013 1.348 -1.108 517 HA LEU 68 HA LEU 68 10.406 3.831 0.176 518 1HB LEU 68 HB2 LEU 68 9.037 2.005 -1.722 519 2HB LEU 68 HB1 LEU 68 7.967 2.997 -0.745 520 HG LEU 68 HG LEU 68 9.381 4.986 -1.425 521 1HD1 LEU 68 HD11 LEU 68 10.796 2.846 -2.863 522 2HD1 LEU 68 HD13 LEU 68 10.364 4.215 -3.882 523 3HD1 LEU 68 HD12 LEU 68 11.341 4.463 -2.437 524 1HD2 LEU 68 HD23 LEU 68 7.418 3.485 -2.966 525 2HD2 LEU 68 HD22 LEU 68 7.527 5.222 -2.687 526 3HD2 LEU 68 HD21 LEU 68 8.441 4.481 -3.999 527 H LEU 69 HN LEU 69 9.692 0.532 0.959 528 HA LEU 69 HA LEU 69 7.595 1.124 2.890 529 1HB LEU 69 HB2 LEU 69 7.749 -1.032 1.707 530 2HB LEU 69 HB1 LEU 69 9.323 -1.314 2.438 531 HG LEU 69 HG LEU 69 8.222 -1.256 4.701 532 1HD1 LEU 69 HD12 LEU 69 5.952 -0.470 3.042 533 2HD1 LEU 69 HD11 LEU 69 5.583 -1.863 4.048 534 3HD1 LEU 69 HD13 LEU 69 6.148 -0.370 4.791 535 1HD2 LEU 69 HD21 LEU 69 8.344 -3.321 2.875 536 2HD2 LEU 69 HD23 LEU 69 7.879 -3.493 4.567 537 3HD2 LEU 69 HD22 LEU 69 6.643 -3.299 3.324 538 H LYS 70 HN LYS 70 10.889 -0.185 3.238 539 HA LYS 70 HA LYS 70 11.247 -0.033 5.976 540 1HB LYS 70 HB2 LYS 70 12.919 -0.326 3.755 541 2HB LYS 70 HB1 LYS 70 13.555 1.099 4.572 542 1HG LYS 70 HG2 LYS 70 12.992 -1.527 5.988 543 2HG LYS 70 HG1 LYS 70 14.567 -1.080 5.337 544 1HD LYS 70 HD2 LYS 70 14.683 0.867 6.778 545 2HD LYS 70 HD1 LYS 70 13.038 0.594 7.347 546 1HE LYS 70 HE2 LYS 70 15.203 -0.284 8.694 547 2HE LYS 70 HE1 LYS 70 13.653 -1.123 8.734 548 1HZ LYS 70 HZ2 LYS 70 15.697 -1.713 6.680 549 2HZ LYS 70 HZ1 LYS 70 15.693 -2.495 8.189 550 3HZ LYS 70 HZ3 LYS 70 14.365 -2.659 7.146 551 H THR 71 HN THR 71 11.190 2.635 3.675 552 HA THR 71 HA THR 71 12.241 4.699 5.293 553 HB THR 71 HB THR 71 10.016 5.750 3.850 554 HG1 THR 71 HG1 THR 71 10.183 4.744 1.927 555 1HG2 THR 71 HG21 THR 71 12.977 5.587 3.229 556 2HG2 THR 71 HG23 THR 71 11.836 6.654 2.411 557 3HG2 THR 71 HG22 THR 71 12.165 6.867 4.131 558 H ILE 72 HN ILE 72 8.812 3.697 4.963 559 HA ILE 72 HA ILE 72 7.788 5.439 6.962 560 HB ILE 72 HB ILE 72 6.832 2.668 6.165 561 1HG1 ILE 72 HG12 ILE 72 5.052 4.521 5.170 562 2HG1 ILE 72 HG11 ILE 72 6.591 5.360 4.977 563 1HG2 ILE 72 HG22 ILE 72 5.780 4.745 8.033 564 2HG2 ILE 72 HG21 ILE 72 4.615 3.875 7.035 565 3HG2 ILE 72 HG23 ILE 72 5.672 2.988 8.132 566 1HD1 ILE 72 HD12 ILE 72 7.453 3.153 3.966 567 2HD1 ILE 72 HD11 ILE 72 5.758 2.695 3.830 568 3HD1 ILE 72 HD13 ILE 72 6.360 4.116 2.976 569 NH1 ARG 73 NH2 ARG 73 13.222 -3.251 10.641 570 NH2 ARG 73 NH1 ARG 73 11.730 -4.184 12.058 571 H ARG 73 HN ARG 73 9.310 2.248 7.199 572 HA ARG 73 HA ARG 73 8.735 1.898 10.010 573 1HB ARG 73 HB2 ARG 73 9.346 -0.036 8.708 574 2HB ARG 73 HB1 ARG 73 10.872 0.703 8.228 575 1HG ARG 73 HG2 ARG 73 11.816 0.446 10.354 576 2HG ARG 73 HG1 ARG 73 10.244 0.333 11.144 577 1HD ARG 73 HD2 ARG 73 9.874 -1.869 10.061 578 2HD ARG 73 HD1 ARG 73 11.470 -1.759 9.322 579 HE ARG 73 HE ARG 73 11.391 -1.551 12.266 580 1HH1 ARG 73 HH21 ARG 73 13.541 -2.462 10.114 581 2HH1 ARG 73 HH22 ARG 73 13.728 -4.113 10.606 582 1HH2 ARG 73 HH11 ARG 73 10.905 -4.111 12.618 583 2HH2 ARG 73 HH12 ARG 73 12.236 -5.046 12.023 584 H ALA 74 HN ALA 74 11.212 3.619 8.233 585 HA ALA 74 HA ALA 74 13.264 3.874 10.100 586 1HB ALA 74 HB2 ALA 74 12.935 5.003 7.757 587 2HB ALA 74 HB1 ALA 74 12.241 6.327 8.692 588 3HB ALA 74 HB3 ALA 74 13.907 5.827 8.976 589 H ASP 75 HN ASP 75 10.038 5.232 10.220 590 HA ASP 75 HA ASP 75 10.299 7.285 12.091 591 1HB ASP 75 HB2 ASP 75 8.185 5.690 11.080 592 2HB ASP 75 HB1 ASP 75 8.054 5.641 12.838 593 H GLY 76 HN GLY 76 10.311 3.784 12.669 594 1HA GLY 76 HA2 GLY 76 10.963 2.562 14.562 595 2HA GLY 76 HA1 GLY 76 11.927 3.971 15.004 596 H ALA 77 HN ALA 77 8.392 3.607 14.672 597 HA ALA 77 HA ALA 77 7.651 3.383 17.345 598 1HB ALA 77 HB1 ALA 77 8.642 6.096 16.648 599 2HB ALA 77 HB3 ALA 77 7.137 6.033 17.567 600 3HB ALA 77 HB2 ALA 77 8.598 5.283 18.212 601 H MET 78 HN MET 78 6.957 5.644 14.653 602 HA MET 78 HA MET 78 4.064 5.077 14.980 603 1HB MET 78 HB2 MET 78 5.669 7.132 13.478 604 2HB MET 78 HB1 MET 78 3.993 6.820 13.026 605 1HG MET 78 HG2 MET 78 3.156 7.623 15.031 606 2HG MET 78 HG1 MET 78 4.627 7.233 15.921 607 1HE MET 78 HE3 MET 78 3.807 9.376 16.945 608 2HE MET 78 HE2 MET 78 5.558 9.553 17.042 609 3HE MET 78 HE1 MET 78 4.567 10.923 16.545 610 H SER 79 HN SER 79 6.188 3.193 13.812 611 HA SER 79 HA SER 79 5.540 2.959 10.988 612 1HB SER 79 HB2 SER 79 6.862 0.946 11.048 613 2HB SER 79 HB1 SER 79 7.667 2.123 12.083 614 HG SER 79 HG SER 79 7.555 0.364 13.335 615 H ALA 80 HN ALA 80 3.199 3.052 12.667 616 HA ALA 80 HA ALA 80 2.171 0.264 12.618 617 1HB ALA 80 HB2 ALA 80 1.193 2.839 13.846 618 2HB ALA 80 HB1 ALA 80 0.133 1.439 13.691 619 3HB ALA 80 HB3 ALA 80 1.607 1.325 14.652 620 H LEU 81 HN LEU 81 2.005 3.229 10.824 621 HA LEU 81 HA LEU 81 -0.513 3.113 9.658 622 1HB LEU 81 HB2 LEU 81 2.004 3.731 8.114 623 2HB LEU 81 HB1 LEU 81 0.389 4.373 7.837 624 HG LEU 81 HG LEU 81 2.210 4.942 10.187 625 1HD1 LEU 81 HD13 LEU 81 2.020 6.167 7.744 626 2HD1 LEU 81 HD12 LEU 81 0.862 7.101 8.690 627 3HD1 LEU 81 HD11 LEU 81 2.540 6.977 9.222 628 1HD2 LEU 81 HD22 LEU 81 -0.745 5.433 9.799 629 2HD2 LEU 81 HD21 LEU 81 0.080 4.766 11.207 630 3HD2 LEU 81 HD23 LEU 81 0.222 6.483 10.833 631 HA PRO 82 HA PRO 82 -0.069 -1.057 7.880 632 1HB PRO 82 HB2 PRO 82 -2.539 -0.703 6.449 633 2HB PRO 82 HB1 PRO 82 -2.224 -1.725 7.845 634 1HG PRO 82 HG2 PRO 82 -3.700 0.739 7.768 635 2HG PRO 82 HG1 PRO 82 -3.372 -0.281 9.174 636 1HD PRO 82 HD2 PRO 82 -2.247 2.273 8.568 637 2HD PRO 82 HD1 PRO 82 -1.876 1.238 9.956 638 H VAL 83 HN VAL 83 0.567 -1.853 5.921 639 HA VAL 83 HA VAL 83 0.525 -0.027 3.549 640 HB VAL 83 HB VAL 83 2.785 -1.630 4.730 641 1HG1 VAL 83 HG13 VAL 83 2.210 -1.198 1.783 642 2HG1 VAL 83 HG12 VAL 83 3.861 -1.353 2.374 643 3HG1 VAL 83 HG11 VAL 83 2.727 -2.680 2.592 644 1HG2 VAL 83 HG22 VAL 83 2.313 1.010 4.638 645 2HG2 VAL 83 HG21 VAL 83 3.946 0.355 4.522 646 3HG2 VAL 83 HG23 VAL 83 3.082 0.827 3.061 647 H LEU 84 HN LEU 84 -0.322 -1.026 1.763 648 HA LEU 84 HA LEU 84 -0.650 -3.974 1.958 649 1HB LEU 84 HB2 LEU 84 -2.801 -2.690 1.941 650 2HB LEU 84 HB1 LEU 84 -2.358 -2.053 0.359 651 HG LEU 84 HG LEU 84 -2.267 -4.360 -0.540 652 1HD1 LEU 84 HD12 LEU 84 -2.725 -4.999 2.339 653 2HD1 LEU 84 HD11 LEU 84 -3.535 -6.019 1.150 654 3HD1 LEU 84 HD13 LEU 84 -1.778 -5.870 1.133 655 1HD2 LEU 84 HD21 LEU 84 -4.637 -3.032 0.527 656 2HD2 LEU 84 HD23 LEU 84 -4.398 -3.804 -1.040 657 3HD2 LEU 84 HD22 LEU 84 -4.867 -4.770 0.360 658 H MET 85 HN MET 85 1.635 -3.856 1.104 659 HA MET 85 HA MET 85 2.345 -2.851 -1.400 660 1HB MET 85 HB2 MET 85 3.965 -3.972 0.089 661 2HB MET 85 HB1 MET 85 3.167 -5.519 -0.200 662 1HG MET 85 HG2 MET 85 4.018 -3.984 -2.605 663 2HG MET 85 HG1 MET 85 5.298 -4.712 -1.634 664 1HE MET 85 HE1 MET 85 5.097 -6.802 -0.592 665 2HE MET 85 HE3 MET 85 4.356 -8.277 -1.230 666 3HE MET 85 HE2 MET 85 5.818 -7.630 -1.970 667 H VAL 86 HN VAL 86 2.449 -3.991 -3.513 668 HA VAL 86 HA VAL 86 0.325 -6.070 -3.832 669 HB VAL 86 HB VAL 86 0.621 -3.587 -5.542 670 1HG1 VAL 86 HG13 VAL 86 -1.291 -5.921 -5.525 671 2HG1 VAL 86 HG12 VAL 86 -1.674 -4.391 -6.317 672 3HG1 VAL 86 HG11 VAL 86 -0.293 -5.341 -6.858 673 1HG2 VAL 86 HG21 VAL 86 -1.212 -4.304 -3.251 674 2HG2 VAL 86 HG23 VAL 86 -0.268 -2.832 -3.480 675 3HG2 VAL 86 HG22 VAL 86 -1.694 -3.128 -4.473 676 H THR 87 HN THR 87 1.195 -7.802 -4.909 677 HA THR 87 HA THR 87 2.981 -7.238 -7.210 678 HB THR 87 HB THR 87 4.568 -7.376 -5.357 679 HG1 THR 87 HG1 THR 87 5.711 -8.422 -6.747 680 1HG2 THR 87 HG22 THR 87 3.055 -8.697 -3.860 681 2HG2 THR 87 HG21 THR 87 3.410 -10.124 -4.835 682 3HG2 THR 87 HG23 THR 87 4.699 -9.331 -3.930 683 H ALA 88 HN ALA 88 3.701 -9.558 -8.117 684 HA ALA 88 HA ALA 88 1.242 -11.273 -8.091 685 1HB ALA 88 HB3 ALA 88 3.060 -10.360 -10.283 686 2HB ALA 88 HB2 ALA 88 2.355 -11.972 -10.410 687 3HB ALA 88 HB1 ALA 88 1.307 -10.559 -10.289 688 H GLU 89 HN GLU 89 4.799 -11.330 -8.450 689 HA GLU 89 HA GLU 89 4.978 -14.208 -8.232 690 1HB GLU 89 HB2 GLU 89 7.145 -12.191 -7.588 691 2HB GLU 89 HB1 GLU 89 7.359 -13.873 -8.074 692 1HG GLU 89 HG2 GLU 89 5.937 -13.059 -10.180 693 2HG GLU 89 HG1 GLU 89 6.628 -11.499 -9.730 694 H ALA 90 HN ALA 90 6.470 -11.928 -5.937 695 HA ALA 90 HA ALA 90 6.543 -11.967 -3.593 696 1HB ALA 90 HB2 ALA 90 3.883 -12.381 -4.261 697 2HB ALA 90 HB1 ALA 90 4.245 -13.738 -3.195 698 3HB ALA 90 HB3 ALA 90 4.496 -12.085 -2.635 699 H LYS 91 HN LYS 91 8.108 -13.183 -2.692 700 HA LYS 91 HA LYS 91 7.791 -16.157 -2.673 701 1HB LYS 91 HB2 LYS 91 9.913 -14.562 -3.881 702 2HB LYS 91 HB1 LYS 91 10.549 -15.645 -2.645 703 1HG LYS 91 HG2 LYS 91 8.633 -16.622 -4.772 704 2HG LYS 91 HG1 LYS 91 10.375 -16.583 -5.036 705 1HD LYS 91 HD2 LYS 91 10.792 -18.258 -3.516 706 2HD LYS 91 HD1 LYS 91 9.417 -17.826 -2.501 707 1HE LYS 91 HE2 LYS 91 7.869 -18.779 -4.143 708 2HE LYS 91 HE1 LYS 91 9.214 -19.151 -5.220 709 1HZ LYS 91 HZ2 LYS 91 9.786 -20.207 -2.693 710 2HZ LYS 91 HZ1 LYS 91 8.213 -20.692 -3.116 711 3HZ LYS 91 HZ3 LYS 91 9.513 -21.044 -4.146 712 H LYS 92 HN LYS 92 8.590 -17.156 -0.761 713 HA LYS 92 HA LYS 92 8.234 -15.929 1.678 714 1HB LYS 92 HB2 LYS 92 10.386 -17.984 1.098 715 2HB LYS 92 HB1 LYS 92 9.660 -17.656 2.670 716 1HG LYS 92 HG2 LYS 92 7.438 -18.091 1.103 717 2HG LYS 92 HG1 LYS 92 8.601 -19.208 0.394 718 1HD LYS 92 HD2 LYS 92 7.995 -19.070 3.366 719 2HD LYS 92 HD1 LYS 92 7.237 -20.207 2.258 720 1HE LYS 92 HE2 LYS 92 10.232 -20.042 2.317 721 2HE LYS 92 HE1 LYS 92 9.397 -20.915 3.600 722 1HZ LYS 92 HZ2 LYS 92 8.131 -21.945 1.578 723 2HZ LYS 92 HZ1 LYS 92 9.538 -21.505 0.734 724 3HZ LYS 92 HZ3 LYS 92 9.641 -22.557 2.060 725 H GLU 93 HN GLU 93 11.365 -16.116 -0.040 726 HA GLU 93 HA GLU 93 12.829 -14.644 1.895 727 1HB GLU 93 HB2 GLU 93 13.725 -16.066 -0.040 728 2HB GLU 93 HB1 GLU 93 13.440 -14.655 -1.058 729 1HG GLU 93 HG2 GLU 93 14.835 -13.310 0.562 730 2HG GLU 93 HG1 GLU 93 15.250 -14.825 1.364 731 H ASN 94 HN ASN 94 10.786 -13.596 -0.774 732 HA ASN 94 HA ASN 94 11.724 -10.811 -0.516 733 1HB ASN 94 HB2 ASN 94 9.941 -12.313 -2.382 734 2HB ASN 94 HB1 ASN 94 9.689 -10.575 -2.221 735 1HD2 ASN 94 HD22 ASN 94 12.526 -11.662 -4.684 736 2HD2 ASN 94 HD21 ASN 94 11.099 -12.510 -4.328 737 H ILE 95 HN ILE 95 9.099 -12.799 0.635 738 HA ILE 95 HA ILE 95 7.482 -10.443 1.375 739 HB ILE 95 HB ILE 95 7.009 -13.384 1.953 740 1HG1 ILE 95 HG12 ILE 95 5.768 -11.627 -0.185 741 2HG1 ILE 95 HG11 ILE 95 7.105 -12.734 -0.493 742 1HG2 ILE 95 HG22 ILE 95 5.259 -10.916 2.157 743 2HG2 ILE 95 HG21 ILE 95 4.641 -12.565 2.248 744 3HG2 ILE 95 HG23 ILE 95 5.759 -11.975 3.476 745 1HD1 ILE 95 HD11 ILE 95 4.960 -14.048 0.967 746 2HD1 ILE 95 HD13 ILE 95 4.382 -13.370 -0.555 747 3HD1 ILE 95 HD12 ILE 95 5.723 -14.514 -0.553 748 H ILE 96 HN ILE 96 9.943 -12.409 2.741 749 HA ILE 96 HA ILE 96 9.161 -12.063 5.520 750 HB ILE 96 HB ILE 96 11.663 -12.980 4.124 751 1HG1 ILE 96 HG12 ILE 96 10.000 -14.299 6.285 752 2HG1 ILE 96 HG11 ILE 96 9.626 -14.461 4.568 753 1HG2 ILE 96 HG21 ILE 96 11.321 -12.115 6.988 754 2HG2 ILE 96 HG23 ILE 96 12.444 -13.415 6.583 755 3HG2 ILE 96 HG22 ILE 96 12.668 -11.807 5.893 756 1HD1 ILE 96 HD12 ILE 96 12.429 -15.001 5.469 757 2HD1 ILE 96 HD11 ILE 96 11.197 -16.222 5.785 758 3HD1 ILE 96 HD13 ILE 96 11.528 -15.712 4.130 759 H ALA 97 HN ALA 97 12.051 -10.801 3.851 760 HA ALA 97 HA ALA 97 12.706 -8.785 5.658 761 1HB ALA 97 HB3 ALA 97 13.001 -9.018 2.678 762 2HB ALA 97 HB2 ALA 97 13.435 -7.502 3.469 763 3HB ALA 97 HB1 ALA 97 14.253 -8.998 3.920 764 H ALA 98 HN ALA 98 10.376 -8.622 2.988 765 HA ALA 98 HA ALA 98 9.635 -5.899 3.326 766 1HB ALA 98 HB3 ALA 98 8.944 -7.766 1.538 767 2HB ALA 98 HB2 ALA 98 7.535 -7.888 2.591 768 3HB ALA 98 HB1 ALA 98 7.938 -6.349 1.831 769 H ALA 99 HN ALA 99 8.130 -8.854 4.664 770 HA ALA 99 HA ALA 99 6.097 -7.678 6.158 771 1HB ALA 99 HB2 ALA 99 7.784 -10.125 6.658 772 2HB ALA 99 HB1 ALA 99 6.482 -9.667 7.756 773 3HB ALA 99 HB3 ALA 99 6.123 -10.040 6.069 774 H GLN 100 HN GLN 100 9.469 -8.252 7.208 775 HA GLN 100 HA GLN 100 9.005 -6.987 9.790 776 1HB GLN 100 HB2 GLN 100 10.936 -8.674 8.779 777 2HB GLN 100 HB1 GLN 100 11.791 -7.134 8.870 778 1HG GLN 100 HG2 GLN 100 12.086 -8.200 10.999 779 2HG GLN 100 HG1 GLN 100 10.906 -6.912 11.242 780 1HE2 GLN 100 HE22 GLN 100 9.317 -10.700 10.967 781 2HE2 GLN 100 HE21 GLN 100 10.544 -10.240 9.889 782 H ALA 101 HN ALA 101 8.992 -5.607 6.855 783 HA ALA 101 HA ALA 101 10.526 -3.185 7.721 784 1HB ALA 101 HB1 ALA 101 10.025 -4.465 5.096 785 2HB ALA 101 HB3 ALA 101 10.016 -2.704 5.119 786 3HB ALA 101 HB2 ALA 101 11.440 -3.584 5.667 787 H GLY 102 HN GLY 102 7.343 -4.371 7.081 788 1HA GLY 102 HA2 GLY 102 5.679 -2.681 8.154 789 2HA GLY 102 HA1 GLY 102 6.276 -1.625 6.883 790 H ALA 103 HN ALA 103 6.520 -4.328 5.335 791 HA ALA 103 HA ALA 103 4.312 -4.034 3.616 792 1HB ALA 103 HB3 ALA 103 6.557 -5.536 3.544 793 2HB ALA 103 HB2 ALA 103 5.362 -6.778 3.889 794 3HB ALA 103 HB1 ALA 103 5.196 -5.766 2.455 795 H SER 104 HN SER 104 3.857 -4.636 6.695 796 HA SER 104 HA SER 104 2.591 -6.868 7.421 797 1HB SER 104 HB2 SER 104 1.722 -4.027 7.741 798 2HB SER 104 HB1 SER 104 0.626 -5.297 8.275 799 HG SER 104 HG SER 104 2.775 -6.119 9.251 800 H GLY 105 HN GLY 105 1.212 -4.693 4.956 801 1HA GLY 105 HA2 GLY 105 -0.951 -6.712 4.503 802 2HA GLY 105 HA1 GLY 105 -1.020 -5.034 3.973 803 OH TYR 106 OH TYR 106 2.166 -13.151 -2.270 804 H TYR 106 HN TYR 106 -0.626 -8.046 2.769 805 HA TYR 106 HA TYR 106 0.847 -6.998 0.420 806 1HB TYR 106 HB2 TYR 106 2.732 -8.061 1.122 807 2HB TYR 106 HB1 TYR 106 1.852 -9.048 2.286 808 HD1 TYR 106 HD2 TYR 106 1.915 -8.673 -1.482 809 HD2 TYR 106 HD1 TYR 106 1.981 -11.341 1.892 810 HE1 TYR 106 HE2 TYR 106 2.051 -10.618 -3.001 811 HE2 TYR 106 HE1 TYR 106 2.119 -13.274 0.365 812 HH TYR 106 HH TYR 106 2.590 -13.872 -1.799 813 H VAL 107 HN VAL 107 -0.744 -7.220 -1.030 814 HA VAL 107 HA VAL 107 -2.304 -9.759 -1.092 815 HB VAL 107 HB VAL 107 -3.463 -7.473 -1.089 816 1HG1 VAL 107 HG12 VAL 107 -1.674 -6.611 -2.767 817 2HG1 VAL 107 HG11 VAL 107 -2.644 -7.420 -3.995 818 3HG1 VAL 107 HG13 VAL 107 -3.342 -6.126 -3.027 819 1HG2 VAL 107 HG21 VAL 107 -3.838 -9.730 -2.997 820 2HG2 VAL 107 HG23 VAL 107 -4.934 -9.111 -1.762 821 3HG2 VAL 107 HG22 VAL 107 -4.781 -8.272 -3.304 822 H VAL 108 HN VAL 108 -2.054 -11.136 -2.841 823 HA VAL 108 HA VAL 108 0.140 -10.466 -4.682 824 HB VAL 108 HB VAL 108 -1.347 -12.949 -5.234 825 1HG1 VAL 108 HG12 VAL 108 0.928 -12.411 -6.064 826 2HG1 VAL 108 HG11 VAL 108 1.515 -12.404 -4.403 827 3HG1 VAL 108 HG13 VAL 108 0.905 -13.897 -5.115 828 1HG2 VAL 108 HG23 VAL 108 -0.256 -12.402 -2.466 829 2HG2 VAL 108 HG22 VAL 108 -1.855 -13.002 -2.900 830 3HG2 VAL 108 HG21 VAL 108 -0.440 -14.035 -3.102 831 H LYS 109 HN LYS 109 -0.670 -8.965 -6.208 832 HA LYS 109 HA LYS 109 -3.339 -8.960 -7.212 833 1HB LYS 109 HB2 LYS 109 -2.296 -7.561 -9.097 834 2HB LYS 109 HB1 LYS 109 -2.059 -6.960 -7.458 835 1HG LYS 109 HG2 LYS 109 0.182 -7.527 -7.436 836 2HG LYS 109 HG1 LYS 109 -0.031 -8.846 -8.587 837 1HD LYS 109 HD2 LYS 109 -0.335 -7.261 -10.412 838 2HD LYS 109 HD1 LYS 109 -0.259 -5.905 -9.286 839 1HE LYS 109 HE2 LYS 109 2.021 -6.081 -9.009 840 2HE LYS 109 HE1 LYS 109 2.022 -7.826 -9.267 841 1HZ LYS 109 HZ3 LYS 109 1.147 -6.501 -11.602 842 2HZ LYS 109 HZ2 LYS 109 2.638 -5.852 -11.106 843 3HZ LYS 109 HZ1 LYS 109 2.487 -7.520 -11.394 844 HA PRO 110 HA PRO 110 -4.355 -8.407 -9.362 845 1HB PRO 110 HB2 PRO 110 -6.294 -10.179 -10.498 846 2HB PRO 110 HB1 PRO 110 -5.420 -8.874 -11.310 847 1HG PRO 110 HG2 PRO 110 -5.090 -11.668 -11.747 848 2HG PRO 110 HG1 PRO 110 -4.091 -10.367 -12.407 849 1HD PRO 110 HD2 PRO 110 -3.470 -12.244 -10.237 850 2HD PRO 110 HD1 PRO 110 -2.378 -11.167 -11.133 851 H PHE 111 HN PHE 111 -6.481 -8.178 -8.280 852 HA PHE 111 HA PHE 111 -7.340 -10.488 -6.624 853 1HB PHE 111 HB2 PHE 111 -7.601 -8.912 -4.654 854 2HB PHE 111 HB1 PHE 111 -5.947 -9.363 -5.039 855 HD1 PHE 111 HD2 PHE 111 -8.528 -6.683 -5.579 856 HD2 PHE 111 HD1 PHE 111 -4.362 -7.712 -5.526 857 HE1 PHE 111 HE2 PHE 111 -7.914 -4.306 -5.898 858 HE2 PHE 111 HE1 PHE 111 -3.757 -5.334 -5.828 859 HZ PHE 111 HZ PHE 111 -5.541 -3.624 -6.013 860 H THR 112 HN THR 112 -9.417 -10.104 -5.626 861 HA THR 112 HA THR 112 -11.148 -8.318 -7.277 862 HB THR 112 HB THR 112 -12.385 -10.322 -5.471 863 HG1 THR 112 HG1 THR 112 -10.567 -10.965 -7.488 864 1HG2 THR 112 HG23 THR 112 -13.474 -8.806 -7.259 865 2HG2 THR 112 HG22 THR 112 -12.797 -9.936 -8.432 866 3HG2 THR 112 HG21 THR 112 -13.952 -10.503 -7.227 867 H ALA 113 HN ALA 113 -12.604 -6.905 -6.101 868 HA ALA 113 HA ALA 113 -11.596 -5.676 -3.810 869 1HB ALA 113 HB1 ALA 113 -13.660 -5.044 -5.324 870 2HB ALA 113 HB3 ALA 113 -14.581 -5.946 -4.120 871 3HB ALA 113 HB2 ALA 113 -13.642 -4.535 -3.634 872 H ALA 114 HN ALA 114 -13.162 -8.740 -4.037 873 HA ALA 114 HA ALA 114 -13.908 -8.836 -1.217 874 1HB ALA 114 HB2 ALA 114 -14.729 -10.287 -3.344 875 2HB ALA 114 HB1 ALA 114 -13.470 -11.363 -2.737 876 3HB ALA 114 HB3 ALA 114 -14.815 -10.901 -1.692 877 H THR 115 HN THR 115 -11.169 -9.880 -3.209 878 HA THR 115 HA THR 115 -9.845 -11.201 -0.985 879 HB THR 115 HB THR 115 -7.930 -10.347 -2.912 880 HG1 THR 115 HG1 THR 115 -10.195 -10.185 -4.000 881 1HG2 THR 115 HG21 THR 115 -9.327 -12.989 -2.439 882 2HG2 THR 115 HG23 THR 115 -7.860 -12.786 -3.394 883 3HG2 THR 115 HG22 THR 115 -7.841 -12.439 -1.665 884 H LEU 116 HN LEU 116 -9.027 -8.111 -2.769 885 HA LEU 116 HA LEU 116 -7.188 -7.149 -0.885 886 1HB LEU 116 HB2 LEU 116 -8.351 -6.063 -3.084 887 2HB LEU 116 HB1 LEU 116 -9.180 -5.160 -1.820 888 HG LEU 116 HG LEU 116 -6.909 -4.697 -0.786 889 1HD1 LEU 116 HD11 LEU 116 -6.107 -6.363 -3.064 890 2HD1 LEU 116 HD13 LEU 116 -5.244 -4.829 -2.991 891 3HD1 LEU 116 HD12 LEU 116 -5.205 -5.932 -1.616 892 1HD2 LEU 116 HD23 LEU 116 -8.203 -3.105 -2.305 893 2HD2 LEU 116 HD22 LEU 116 -6.466 -2.828 -2.210 894 3HD2 LEU 116 HD21 LEU 116 -7.151 -3.650 -3.610 895 H GLU 117 HN GLU 117 -10.755 -7.091 -0.696 896 HA GLU 117 HA GLU 117 -10.859 -5.539 1.706 897 1HB GLU 117 HB2 GLU 117 -12.859 -5.750 0.368 898 2HB GLU 117 HB1 GLU 117 -12.820 -7.508 0.511 899 1HG GLU 117 HG2 GLU 117 -12.811 -6.081 3.094 900 2HG GLU 117 HG1 GLU 117 -14.278 -5.856 2.142 901 H GLU 118 HN GLU 118 -10.881 -9.037 1.100 902 HA GLU 118 HA GLU 118 -11.188 -9.915 3.771 903 1HB GLU 118 HB2 GLU 118 -11.294 -11.626 2.168 904 2HB GLU 118 HB1 GLU 118 -9.826 -11.084 1.354 905 1HG GLU 118 HG2 GLU 118 -8.420 -11.986 3.007 906 2HG GLU 118 HG1 GLU 118 -9.716 -12.055 4.202 907 H LYS 119 HN LYS 119 -8.421 -8.527 2.143 908 HA LYS 119 HA LYS 119 -6.524 -9.366 4.212 909 1HB LYS 119 HB2 LYS 119 -6.415 -8.038 1.614 910 2HB LYS 119 HB1 LYS 119 -5.361 -7.267 2.800 911 1HG LYS 119 HG2 LYS 119 -4.178 -9.078 1.609 912 2HG LYS 119 HG1 LYS 119 -4.343 -9.447 3.326 913 1HD LYS 119 HD2 LYS 119 -5.765 -11.192 2.950 914 2HD LYS 119 HD1 LYS 119 -6.574 -10.374 1.613 915 1HE LYS 119 HE2 LYS 119 -4.930 -11.018 0.059 916 2HE LYS 119 HE1 LYS 119 -3.745 -11.365 1.318 917 1HZ LYS 119 HZ2 LYS 119 -5.246 -13.184 2.061 918 2HZ LYS 119 HZ1 LYS 119 -6.187 -12.917 0.671 919 3HZ LYS 119 HZ3 LYS 119 -4.575 -13.423 0.517 920 H LEU 120 HN LEU 120 -7.698 -6.155 3.130 921 HA LEU 120 HA LEU 120 -6.642 -4.583 5.150 922 1HB LEU 120 HB2 LEU 120 -8.191 -3.942 3.155 923 2HB LEU 120 HB1 LEU 120 -9.515 -4.229 4.274 924 HG LEU 120 HG LEU 120 -7.414 -2.515 5.423 925 1HD1 LEU 120 HD13 LEU 120 -8.859 -1.710 2.893 926 2HD1 LEU 120 HD12 LEU 120 -8.220 -0.532 4.038 927 3HD1 LEU 120 HD11 LEU 120 -7.126 -1.647 3.218 928 1HD2 LEU 120 HD21 LEU 120 -9.720 -2.928 6.335 929 2HD2 LEU 120 HD23 LEU 120 -9.347 -1.221 6.103 930 3HD2 LEU 120 HD22 LEU 120 -10.371 -2.064 4.942 931 H ASN 121 HN ASN 121 -9.733 -6.351 5.280 932 HA ASN 121 HA ASN 121 -10.402 -5.604 7.952 933 1HB ASN 121 HB2 ASN 121 -11.269 -7.680 6.023 934 2HB ASN 121 HB1 ASN 121 -11.576 -8.037 7.723 935 1HD2 ASN 121 HD22 ASN 121 -14.559 -6.154 7.188 936 2HD2 ASN 121 HD21 ASN 121 -13.923 -7.719 7.345 937 H LYS 122 HN LYS 122 -8.363 -8.198 6.689 938 HA LYS 122 HA LYS 122 -8.137 -9.643 9.168 939 1HB LYS 122 HB2 LYS 122 -7.364 -10.181 6.637 940 2HB LYS 122 HB1 LYS 122 -5.824 -9.636 7.295 941 1HG LYS 122 HG2 LYS 122 -5.737 -11.897 7.821 942 2HG LYS 122 HG1 LYS 122 -6.461 -11.251 9.292 943 1HD LYS 122 HD2 LYS 122 -8.708 -11.793 8.441 944 2HD LYS 122 HD1 LYS 122 -8.002 -12.408 6.947 945 1HE LYS 122 HE2 LYS 122 -7.316 -13.501 9.686 946 2HE LYS 122 HE1 LYS 122 -8.560 -14.193 8.646 947 1HZ LYS 122 HZ3 LYS 122 -6.769 -14.317 6.894 948 2HZ LYS 122 HZ2 LYS 122 -5.652 -13.997 8.133 949 3HZ LYS 122 HZ1 LYS 122 -6.616 -15.394 8.196 950 H ILE 123 HN ILE 123 -6.450 -6.862 7.829 951 HA ILE 123 HA ILE 123 -4.438 -6.915 9.986 952 HB ILE 123 HB ILE 123 -4.949 -5.146 7.600 953 1HG1 ILE 123 HG12 ILE 123 -2.449 -6.608 8.491 954 2HG1 ILE 123 HG11 ILE 123 -3.677 -7.353 7.467 955 1HG2 ILE 123 HG22 ILE 123 -3.258 -4.613 10.036 956 2HG2 ILE 123 HG21 ILE 123 -2.773 -3.985 8.462 957 3HG2 ILE 123 HG23 ILE 123 -4.319 -3.508 9.163 958 1HD1 ILE 123 HD11 ILE 123 -2.914 -4.702 6.512 959 2HD1 ILE 123 HD13 ILE 123 -1.539 -5.803 6.584 960 3HD1 ILE 123 HD12 ILE 123 -2.964 -6.234 5.640 961 H PHE 124 HN PHE 124 -7.280 -5.020 9.030 962 HA PHE 124 HA PHE 124 -6.939 -3.082 11.145 963 1HB PHE 124 HB2 PHE 124 -9.124 -3.730 9.191 964 2HB PHE 124 HB1 PHE 124 -9.467 -2.676 10.562 965 HD1 PHE 124 HD1 PHE 124 -6.538 -3.173 8.260 966 HD2 PHE 124 HD2 PHE 124 -9.324 -0.407 10.011 967 HE1 PHE 124 HE1 PHE 124 -5.383 -1.308 7.137 968 HE2 PHE 124 HE2 PHE 124 -8.166 1.463 8.864 969 HZ PHE 124 HZ PHE 124 -6.203 1.000 7.431 970 H GLU 125 HN GLU 125 -7.723 -6.297 11.268 971 HA GLU 125 HA GLU 125 -9.784 -6.186 13.326 972 1HB GLU 125 HB2 GLU 125 -9.515 -8.208 11.940 973 2HB GLU 125 HB1 GLU 125 -7.870 -8.415 12.541 974 1HG GLU 125 HG2 GLU 125 -8.605 -8.950 14.720 975 2HG GLU 125 HG1 GLU 125 -10.212 -8.280 14.435 976 H LYS 126 HN LYS 126 -6.305 -6.123 13.159 977 HA LYS 126 HA LYS 126 -6.003 -6.392 16.086 978 1HB LYS 126 HB2 LYS 126 -4.329 -7.368 14.463 979 2HB LYS 126 HB1 LYS 126 -3.906 -5.721 13.995 980 1HG LYS 126 HG2 LYS 126 -3.779 -5.615 16.757 981 2HG LYS 126 HG1 LYS 126 -3.156 -7.227 16.398 982 1HD LYS 126 HD2 LYS 126 -1.604 -6.203 14.724 983 2HD LYS 126 HD1 LYS 126 -2.166 -4.610 15.229 984 1HE LYS 126 HE2 LYS 126 -1.045 -6.606 17.201 985 2HE LYS 126 HE1 LYS 126 -0.014 -5.467 16.336 986 1HZ LYS 126 HZ1 LYS 126 -2.345 -4.728 18.019 987 2HZ LYS 126 HZ3 LYS 126 -0.721 -4.609 18.492 988 3HZ LYS 126 HZ2 LYS 126 -1.307 -3.648 17.220 989 H LEU 127 HN LEU 127 -6.047 -3.964 13.555 990 HA LEU 127 HA LEU 127 -5.055 -1.808 15.230 991 1HB LEU 127 HB2 LEU 127 -5.348 -2.081 12.536 992 2HB LEU 127 HB1 LEU 127 -6.816 -1.181 12.905 993 HG LEU 127 HG LEU 127 -5.033 0.383 12.369 994 1HD1 LEU 127 HD11 LEU 127 -6.680 0.768 14.332 995 2HD1 LEU 127 HD13 LEU 127 -5.279 0.500 15.369 996 3HD1 LEU 127 HD12 LEU 127 -5.276 1.826 14.207 997 1HD2 LEU 127 HD22 LEU 127 -3.373 -1.490 13.628 998 2HD2 LEU 127 HD21 LEU 127 -2.885 0.082 12.996 999 3HD2 LEU 127 HD23 LEU 127 -3.338 -0.084 14.692 1000 H GLY 128 HN GLY 128 -8.166 -3.262 14.539 1001 1HA GLY 128 HA2 GLY 128 -10.324 -2.736 15.321 1002 2HA GLY 128 HA1 GLY 128 -9.476 -2.393 16.829 1003 H MET 129 HN MET 129 -10.599 -0.936 13.803 1004 HA MET 129 HA MET 129 -10.008 1.768 14.835 1005 1HB MET 129 HB2 MET 129 -10.393 0.586 12.244 1006 2HB MET 129 HB1 MET 129 -11.560 1.889 12.454 1007 1HG MET 129 HG2 MET 129 -8.574 2.127 12.929 1008 2HG MET 129 HG1 MET 129 -9.424 2.719 11.503 1009 1HE MET 129 HE1 MET 129 -11.315 4.101 11.498 1010 2HE MET 129 HE3 MET 129 -12.262 4.060 12.992 1011 3HE MET 129 HE2 MET 129 -11.500 5.559 12.467 Start of MODEL 20 Raw file had 1011 H/Q atoms Start of MODEL 20 1 H ALA 2 HN ALA 2 -14.505 0.919 7.325 2 HA ALA 2 HA ALA 2 -13.276 1.155 9.910 3 1HB ALA 2 HB1 ALA 2 -11.784 -0.290 7.825 4 2HB ALA 2 HB3 ALA 2 -10.892 1.060 8.526 5 3HB ALA 2 HB2 ALA 2 -11.505 -0.227 9.565 6 H ASP 3 HN ASP 3 -14.178 3.274 9.626 7 HA ASP 3 HA ASP 3 -14.110 5.537 9.023 8 1HB ASP 3 HB2 ASP 3 -11.339 4.595 8.835 9 2HB ASP 3 HB1 ASP 3 -11.675 5.938 7.745 10 H LYS 4 HN LYS 4 -15.072 6.507 7.285 11 HA LYS 4 HA LYS 4 -15.033 5.043 4.730 12 1HB LYS 4 HB2 LYS 4 -16.585 7.541 5.429 13 2HB LYS 4 HB1 LYS 4 -16.868 6.475 4.059 14 1HG LYS 4 HG2 LYS 4 -16.973 5.362 6.856 15 2HG LYS 4 HG1 LYS 4 -18.359 6.226 6.203 16 1HD LYS 4 HD2 LYS 4 -17.168 4.188 4.406 17 2HD LYS 4 HD1 LYS 4 -17.965 3.564 5.850 18 1HE LYS 4 HE2 LYS 4 -19.999 4.837 5.284 19 2HE LYS 4 HE1 LYS 4 -19.205 5.471 3.843 20 1HZ LYS 4 HZ1 LYS 4 -18.999 2.640 3.973 21 2HZ LYS 4 HZ3 LYS 4 -20.623 3.126 4.048 22 3HZ LYS 4 HZ2 LYS 4 -19.651 3.616 2.743 23 H GLU 5 HN GLU 5 -12.686 6.729 5.734 24 HA GLU 5 HA GLU 5 -12.169 7.995 3.154 25 1HB GLU 5 HB2 GLU 5 -11.854 10.269 4.035 26 2HB GLU 5 HB1 GLU 5 -13.520 9.734 4.268 27 1HG GLU 5 HG2 GLU 5 -13.266 10.241 6.451 28 2HG GLU 5 HG1 GLU 5 -12.181 8.854 6.561 29 H LEU 6 HN LEU 6 -10.799 5.939 4.629 30 HA LEU 6 HA LEU 6 -8.559 7.033 6.045 31 1HB LEU 6 HB2 LEU 6 -9.286 4.685 6.253 32 2HB LEU 6 HB1 LEU 6 -8.846 4.397 4.578 33 HG LEU 6 HG LEU 6 -6.475 4.920 5.112 34 1HD1 LEU 6 HD13 LEU 6 -7.724 5.635 7.714 35 2HD1 LEU 6 HD12 LEU 6 -6.175 4.798 7.781 36 3HD1 LEU 6 HD11 LEU 6 -6.314 6.327 6.912 37 1HD2 LEU 6 HD21 LEU 6 -8.052 2.758 6.367 38 2HD2 LEU 6 HD23 LEU 6 -6.655 2.661 5.299 39 3HD2 LEU 6 HD22 LEU 6 -6.432 2.985 7.020 40 H LYS 7 HN LYS 7 -6.674 7.910 5.186 41 HA LYS 7 HA LYS 7 -6.663 8.549 2.360 42 1HB LYS 7 HB2 LYS 7 -5.009 9.193 4.725 43 2HB LYS 7 HB1 LYS 7 -4.174 9.245 3.172 44 1HG LYS 7 HG2 LYS 7 -5.888 10.758 2.276 45 2HG LYS 7 HG1 LYS 7 -6.761 10.692 3.807 46 1HD LYS 7 HD2 LYS 7 -4.317 11.411 4.719 47 2HD LYS 7 HD1 LYS 7 -4.259 12.140 3.115 48 1HE LYS 7 HE2 LYS 7 -6.521 13.172 3.616 49 2HE LYS 7 HE1 LYS 7 -6.319 12.621 5.280 50 1HZ LYS 7 HZ1 LYS 7 -4.302 14.281 3.883 51 2HZ LYS 7 HZ3 LYS 7 -5.564 14.951 4.797 52 3HZ LYS 7 HZ2 LYS 7 -4.412 13.951 5.546 53 H PHE 8 HN PHE 8 -5.951 7.253 0.760 54 HA PHE 8 HA PHE 8 -3.911 5.170 1.387 55 1HB PHE 8 HB2 PHE 8 -5.905 5.385 -0.893 56 2HB PHE 8 HB1 PHE 8 -4.686 4.138 -0.759 57 HD1 PHE 8 HD2 PHE 8 -7.679 5.567 0.893 58 HD2 PHE 8 HD1 PHE 8 -5.023 2.233 0.586 59 HE1 PHE 8 HE2 PHE 8 -9.201 4.226 2.313 60 HE2 PHE 8 HE1 PHE 8 -6.547 0.873 2.014 61 HZ PHE 8 HZ PHE 8 -8.641 1.879 2.874 62 H LEU 9 HN LEU 9 -2.094 5.020 0.004 63 HA LEU 9 HA LEU 9 -1.796 7.267 -1.956 64 1HB LEU 9 HB2 LEU 9 -0.320 7.718 -0.097 65 2HB LEU 9 HB1 LEU 9 0.306 6.077 -0.131 66 HG LEU 9 HG LEU 9 1.282 6.459 -2.341 67 1HD1 LEU 9 HD12 LEU 9 -0.258 9.023 -2.101 68 2HD1 LEU 9 HD11 LEU 9 1.210 8.981 -3.076 69 3HD1 LEU 9 HD13 LEU 9 -0.143 7.922 -3.475 70 1HD2 LEU 9 HD23 LEU 9 1.887 8.311 -0.089 71 2HD2 LEU 9 HD22 LEU 9 2.892 7.068 -0.835 72 3HD2 LEU 9 HD21 LEU 9 2.668 8.620 -1.638 73 H VAL 10 HN VAL 10 -1.702 6.466 -3.974 74 HA VAL 10 HA VAL 10 -0.688 3.678 -4.356 75 HB VAL 10 HB VAL 10 -2.067 4.915 -6.623 76 1HG1 VAL 10 HG12 VAL 10 -1.516 2.458 -6.179 77 2HG1 VAL 10 HG11 VAL 10 -2.804 2.486 -4.976 78 3HG1 VAL 10 HG13 VAL 10 -3.175 2.796 -6.671 79 1HG2 VAL 10 HG22 VAL 10 -3.475 4.630 -3.948 80 2HG2 VAL 10 HG21 VAL 10 -3.321 6.096 -4.914 81 3HG2 VAL 10 HG23 VAL 10 -4.321 4.763 -5.489 82 H VAL 11 HN VAL 11 1.481 3.896 -4.798 83 HA VAL 11 HA VAL 11 2.391 6.045 -6.569 84 HB VAL 11 HB VAL 11 3.968 3.926 -5.088 85 1HG1 VAL 11 HG13 VAL 11 4.684 6.066 -7.002 86 2HG1 VAL 11 HG12 VAL 11 5.655 6.028 -5.531 87 3HG1 VAL 11 HG11 VAL 11 5.567 4.604 -6.564 88 1HG2 VAL 11 HG23 VAL 11 2.654 6.305 -4.194 89 2HG2 VAL 11 HG22 VAL 11 3.673 5.212 -3.261 90 3HG2 VAL 11 HG21 VAL 11 4.393 6.576 -4.116 91 H ASP 12 HN ASP 12 0.744 3.848 -7.615 92 HA ASP 12 HA ASP 12 2.339 1.906 -8.975 93 1HB ASP 12 HB2 ASP 12 -0.284 2.137 -8.652 94 2HB ASP 12 HB1 ASP 12 -0.179 2.947 -10.217 95 H ASP 13 HN ASP 13 2.868 1.853 -11.281 96 HA ASP 13 HA ASP 13 3.697 4.530 -12.254 97 1HB ASP 13 HB2 ASP 13 5.164 2.334 -12.151 98 2HB ASP 13 HB1 ASP 13 4.354 1.971 -13.675 99 H PHE 14 HN PHE 14 1.563 1.854 -13.069 100 HA PHE 14 HA PHE 14 0.970 2.695 -15.757 101 1HB PHE 14 HB2 PHE 14 0.049 0.672 -13.896 102 2HB PHE 14 HB1 PHE 14 -1.318 1.418 -14.723 103 HD1 PHE 14 HD2 PHE 14 -0.850 1.877 -17.341 104 HD2 PHE 14 HD1 PHE 14 1.057 -1.148 -14.959 105 HE1 PHE 14 HE2 PHE 14 -0.323 0.590 -19.395 106 HE2 PHE 14 HE1 PHE 14 1.583 -2.433 -17.012 107 HZ PHE 14 HZ PHE 14 0.893 -1.564 -19.229 108 H SER 15 HN SER 15 -0.863 3.889 -16.511 109 HA SER 15 HA SER 15 -1.812 5.906 -14.562 110 1HB SER 15 HB2 SER 15 -1.349 7.132 -16.431 111 2HB SER 15 HB1 SER 15 -1.517 5.743 -17.501 112 HG SER 15 HG SER 15 -3.364 6.636 -17.969 113 H THR 16 HN THR 16 -2.953 3.121 -16.312 114 HA THR 16 HA THR 16 -5.782 3.784 -15.748 115 HB THR 16 HB THR 16 -5.526 2.785 -17.879 116 HG1 THR 16 HG1 THR 16 -6.954 1.669 -16.161 117 1HG2 THR 16 HG22 THR 16 -3.462 1.176 -16.463 118 2HG2 THR 16 HG21 THR 16 -4.305 0.392 -17.800 119 3HG2 THR 16 HG23 THR 16 -3.421 1.893 -18.074 120 H MET 17 HN MET 17 -3.170 1.951 -14.415 121 HA MET 17 HA MET 17 -4.698 -0.012 -12.977 122 1HB MET 17 HB2 MET 17 -2.259 -0.206 -13.297 123 2HB MET 17 HB1 MET 17 -2.011 1.224 -12.294 124 1HG MET 17 HG2 MET 17 -2.277 0.052 -10.378 125 2HG MET 17 HG1 MET 17 -3.699 -0.788 -10.998 126 1HE MET 17 HE3 MET 17 -3.674 -2.835 -12.515 127 2HE MET 17 HE2 MET 17 -2.669 -4.138 -11.882 128 3HE MET 17 HE1 MET 17 -3.645 -3.171 -10.779 129 NH1 ARG 18 NH1 ARG 18 -7.638 7.943 -11.975 130 NH2 ARG 18 NH2 ARG 18 -7.647 8.976 -9.965 131 H ARG 18 HN ARG 18 -3.314 3.119 -11.923 132 HA ARG 18 HA ARG 18 -4.284 3.163 -9.302 133 1HB ARG 18 HB2 ARG 18 -3.502 5.279 -9.334 134 2HB ARG 18 HB1 ARG 18 -3.058 4.965 -10.995 135 1HG ARG 18 HG2 ARG 18 -4.227 6.986 -11.104 136 2HG ARG 18 HG1 ARG 18 -5.432 5.815 -11.602 137 1HD ARG 18 HD2 ARG 18 -5.700 5.872 -8.830 138 2HD ARG 18 HD1 ARG 18 -5.351 7.547 -9.237 139 HE ARG 18 HE ARG 18 -7.771 6.067 -9.986 140 1HH1 ARG 18 HH11 ARG 18 -7.499 7.119 -12.524 141 2HH1 ARG 18 HH12 ARG 18 -7.908 8.799 -12.415 142 1HH2 ARG 18 HH21 ARG 18 -7.516 8.945 -8.974 143 2HH2 ARG 18 HH22 ARG 18 -7.917 9.833 -10.407 144 NH1 ARG 19 NH1 ARG 19 -9.731 1.762 -17.217 145 NH2 ARG 19 NH2 ARG 19 -10.502 3.824 -17.726 146 H ARG 19 HN ARG 19 -6.007 3.684 -12.302 147 HA ARG 19 HA ARG 19 -8.329 4.762 -11.064 148 1HB ARG 19 HB2 ARG 19 -8.394 5.218 -13.315 149 2HB ARG 19 HB1 ARG 19 -7.639 3.688 -13.752 150 1HG ARG 19 HG2 ARG 19 -9.690 2.489 -13.521 151 2HG ARG 19 HG1 ARG 19 -10.464 3.833 -12.678 152 1HD ARG 19 HD2 ARG 19 -11.047 4.833 -14.619 153 2HD ARG 19 HD1 ARG 19 -9.437 4.612 -15.303 154 HE ARG 19 HE ARG 19 -11.422 2.376 -15.273 155 1HH1 ARG 19 HH11 ARG 19 -9.599 1.026 -16.553 156 2HH1 ARG 19 HH12 ARG 19 -9.399 1.653 -18.155 157 1HH2 ARG 19 HH21 ARG 19 -10.962 4.669 -17.451 158 2HH2 ARG 19 HH22 ARG 19 -10.171 3.718 -18.663 159 H ILE 20 HN ILE 20 -7.378 1.464 -11.951 160 HA ILE 20 HA ILE 20 -9.823 0.147 -11.392 161 HB ILE 20 HB ILE 20 -6.940 -0.652 -11.422 162 1HG1 ILE 20 HG12 ILE 20 -9.372 -1.908 -12.718 163 2HG1 ILE 20 HG11 ILE 20 -8.501 -0.553 -13.434 164 1HG2 ILE 20 HG22 ILE 20 -9.179 -2.229 -10.139 165 2HG2 ILE 20 HG21 ILE 20 -7.786 -3.028 -10.864 166 3HG2 ILE 20 HG23 ILE 20 -7.557 -1.920 -9.514 167 1HD1 ILE 20 HD12 ILE 20 -6.696 -2.679 -12.577 168 2HD1 ILE 20 HD11 ILE 20 -7.878 -3.249 -13.756 169 3HD1 ILE 20 HD13 ILE 20 -6.827 -1.888 -14.149 170 H VAL 21 HN VAL 21 -7.011 0.488 -9.199 171 HA VAL 21 HA VAL 21 -8.328 -0.549 -6.912 172 HB VAL 21 HB VAL 21 -6.490 1.360 -5.968 173 1HG1 VAL 21 HG13 VAL 21 -6.230 -1.574 -6.677 174 2HG1 VAL 21 HG12 VAL 21 -5.054 -0.690 -5.706 175 3HG1 VAL 21 HG11 VAL 21 -6.704 -0.902 -5.118 176 1HG2 VAL 21 HG21 VAL 21 -5.874 1.698 -8.386 177 2HG2 VAL 21 HG23 VAL 21 -4.552 1.063 -7.407 178 3HG2 VAL 21 HG22 VAL 21 -5.454 -0.015 -8.469 179 NH1 ARG 22 NH2 ARG 22 -7.427 8.536 -6.965 180 NH2 ARG 22 NH1 ARG 22 -8.672 10.219 -6.112 181 H ARG 22 HN ARG 22 -8.172 2.779 -8.156 182 HA ARG 22 HA ARG 22 -9.232 4.202 -5.999 183 1HB ARG 22 HB2 ARG 22 -9.191 4.503 -8.903 184 2HB ARG 22 HB1 ARG 22 -10.639 5.205 -8.191 185 1HG ARG 22 HG2 ARG 22 -7.815 5.774 -7.234 186 2HG ARG 22 HG1 ARG 22 -8.725 6.821 -8.320 187 1HD ARG 22 HD2 ARG 22 -10.465 6.324 -6.168 188 2HD ARG 22 HD1 ARG 22 -8.888 6.604 -5.432 189 HE ARG 22 HE ARG 22 -10.515 8.606 -6.742 190 1HH1 ARG 22 HH21 ARG 22 -7.354 7.596 -7.298 191 2HH1 ARG 22 HH22 ARG 22 -6.620 9.125 -6.951 192 1HH2 ARG 22 HH11 ARG 22 -9.552 10.570 -5.791 193 2HH2 ARG 22 HH12 ARG 22 -7.863 10.809 -6.098 194 H ASN 23 HN ASN 23 -11.096 2.538 -8.546 195 HA ASN 23 HA ASN 23 -13.671 2.941 -7.396 196 1HB ASN 23 HB2 ASN 23 -12.567 1.826 -9.676 197 2HB ASN 23 HB1 ASN 23 -13.254 0.453 -8.853 198 1HD2 ASN 23 HD22 ASN 23 -16.457 1.283 -10.059 199 2HD2 ASN 23 HD21 ASN 23 -15.305 0.076 -9.745 200 H LEU 24 HN LEU 24 -11.612 0.067 -7.501 201 HA LEU 24 HA LEU 24 -12.952 -1.743 -5.947 202 1HB LEU 24 HB2 LEU 24 -10.584 -1.818 -6.985 203 2HB LEU 24 HB1 LEU 24 -10.043 -1.164 -5.452 204 HG LEU 24 HG LEU 24 -11.768 -3.348 -4.827 205 1HD1 LEU 24 HD13 LEU 24 -9.821 -3.962 -7.070 206 2HD1 LEU 24 HD12 LEU 24 -10.450 -5.197 -5.984 207 3HD1 LEU 24 HD11 LEU 24 -11.552 -4.290 -7.018 208 1HD2 LEU 24 HD21 LEU 24 -8.815 -2.803 -4.612 209 2HD2 LEU 24 HD23 LEU 24 -10.012 -3.022 -3.337 210 3HD2 LEU 24 HD22 LEU 24 -9.427 -4.411 -4.247 211 H LEU 25 HN LEU 25 -10.799 0.790 -4.585 212 HA LEU 25 HA LEU 25 -11.437 0.241 -1.836 213 1HB LEU 25 HB2 LEU 25 -10.327 2.624 -3.312 214 2HB LEU 25 HB1 LEU 25 -10.721 2.752 -1.602 215 HG LEU 25 HG LEU 25 -8.896 0.633 -2.780 216 1HD1 LEU 25 HD11 LEU 25 -8.425 3.416 -1.898 217 2HD1 LEU 25 HD13 LEU 25 -7.311 2.221 -1.232 218 3HD1 LEU 25 HD12 LEU 25 -7.473 2.397 -2.979 219 1HD2 LEU 25 HD21 LEU 25 -9.967 1.218 -0.065 220 2HD2 LEU 25 HD23 LEU 25 -9.432 -0.310 -0.759 221 3HD2 LEU 25 HD22 LEU 25 -8.248 0.844 -0.149 222 H LYS 26 HN LYS 26 -12.773 2.592 -4.162 223 HA LYS 26 HA LYS 26 -14.641 3.799 -2.437 224 1HB LYS 26 HB2 LYS 26 -14.002 4.371 -4.896 225 2HB LYS 26 HB1 LYS 26 -15.285 3.236 -5.322 226 1HG LYS 26 HG2 LYS 26 -16.793 4.556 -3.741 227 2HG LYS 26 HG1 LYS 26 -15.526 5.782 -3.705 228 1HD LYS 26 HD2 LYS 26 -16.976 4.774 -6.172 229 2HD LYS 26 HD1 LYS 26 -17.173 6.356 -5.420 230 1HE LYS 26 HE2 LYS 26 -14.789 5.270 -6.912 231 2HE LYS 26 HE1 LYS 26 -15.669 6.772 -7.189 232 1HZ LYS 26 HZ1 LYS 26 -14.050 6.179 -4.771 233 2HZ LYS 26 HZ3 LYS 26 -13.523 7.117 -6.081 234 3HZ LYS 26 HZ2 LYS 26 -14.828 7.646 -5.130 235 H GLU 27 HN GLU 27 -14.760 0.734 -4.170 236 HA GLU 27 HA GLU 27 -17.500 0.162 -3.965 237 1HB GLU 27 HB2 GLU 27 -15.449 -1.198 -4.985 238 2HB GLU 27 HB1 GLU 27 -15.548 -2.034 -3.435 239 1HG GLU 27 HG2 GLU 27 -18.131 -2.107 -3.994 240 2HG GLU 27 HG1 GLU 27 -17.562 -1.912 -5.652 241 H LEU 28 HN LEU 28 -14.908 -0.305 -1.591 242 HA LEU 28 HA LEU 28 -16.689 -1.480 0.387 243 1HB LEU 28 HB2 LEU 28 -13.839 -0.688 0.235 244 2HB LEU 28 HB1 LEU 28 -14.561 -0.581 1.840 245 HG LEU 28 HG LEU 28 -15.359 -2.936 1.598 246 1HD1 LEU 28 HD12 LEU 28 -15.435 -2.980 -0.880 247 2HD1 LEU 28 HD11 LEU 28 -13.676 -2.866 -0.928 248 3HD1 LEU 28 HD13 LEU 28 -14.449 -4.296 -0.246 249 1HD2 LEU 28 HD23 LEU 28 -12.637 -1.998 1.876 250 2HD2 LEU 28 HD22 LEU 28 -13.441 -3.324 2.714 251 3HD2 LEU 28 HD21 LEU 28 -12.653 -3.610 1.162 252 H GLY 29 HN GLY 29 -15.020 1.669 0.199 253 1HA GLY 29 HA2 GLY 29 -16.963 3.459 0.657 254 2HA GLY 29 HA1 GLY 29 -16.796 2.732 2.250 255 H PHE 30 HN PHE 30 -14.925 4.384 -0.277 256 HA PHE 30 HA PHE 30 -13.424 5.777 1.852 257 1HB PHE 30 HB2 PHE 30 -12.143 3.944 -0.192 258 2HB PHE 30 HB1 PHE 30 -11.243 5.241 0.586 259 HD1 PHE 30 HD2 PHE 30 -11.611 5.341 3.242 260 HD2 PHE 30 HD1 PHE 30 -12.051 1.835 0.809 261 HE1 PHE 30 HE2 PHE 30 -11.237 3.913 5.235 262 HE2 PHE 30 HE1 PHE 30 -11.682 0.405 2.803 263 HZ PHE 30 HZ PHE 30 -11.275 1.445 5.016 264 H ASN 31 HN ASN 31 -12.564 7.787 1.111 265 HA ASN 31 HA ASN 31 -12.846 8.440 -1.759 266 1HB ASN 31 HB2 ASN 31 -15.074 8.904 -0.705 267 2HB ASN 31 HB1 ASN 31 -14.278 10.051 0.373 268 1HD2 ASN 31 HD22 ASN 31 -13.898 11.109 -3.567 269 2HD2 ASN 31 HD21 ASN 31 -13.435 9.556 -3.062 270 H ASN 32 HN ASN 32 -10.413 8.316 -0.727 271 HA ASN 32 HA ASN 32 -9.441 11.032 -0.831 272 1HB ASN 32 HB2 ASN 32 -10.263 10.182 1.714 273 2HB ASN 32 HB1 ASN 32 -8.509 10.018 1.733 274 1HD2 ASN 32 HD22 ASN 32 -8.168 13.614 0.819 275 2HD2 ASN 32 HD21 ASN 32 -7.662 12.140 0.146 276 H VAL 33 HN VAL 33 -8.084 10.167 -2.442 277 HA VAL 33 HA VAL 33 -5.843 8.469 -1.428 278 HB VAL 33 HB VAL 33 -7.329 8.085 -4.047 279 1HG1 VAL 33 HG13 VAL 33 -4.700 7.231 -3.077 280 2HG1 VAL 33 HG12 VAL 33 -5.706 5.889 -3.615 281 3HG1 VAL 33 HG11 VAL 33 -5.354 7.223 -4.714 282 1HG2 VAL 33 HG22 VAL 33 -7.602 6.892 -1.375 283 2HG2 VAL 33 HG21 VAL 33 -8.720 6.869 -2.735 284 3HG2 VAL 33 HG23 VAL 33 -7.400 5.704 -2.661 285 H GLU 34 HN GLU 34 -3.822 8.827 -2.553 286 HA GLU 34 HA GLU 34 -3.839 11.114 -4.490 287 1HB GLU 34 HB2 GLU 34 -1.970 10.594 -2.164 288 2HB GLU 34 HB1 GLU 34 -1.554 11.680 -3.486 289 1HG GLU 34 HG2 GLU 34 -4.005 12.663 -2.866 290 2HG GLU 34 HG1 GLU 34 -3.533 12.038 -1.290 291 H GLU 35 HN GLU 35 -1.242 11.006 -5.341 292 HA GLU 35 HA GLU 35 -0.630 8.176 -5.918 293 1HB GLU 35 HB2 GLU 35 -2.281 9.535 -7.647 294 2HB GLU 35 HB1 GLU 35 -0.695 9.804 -8.366 295 1HG GLU 35 HG2 GLU 35 -0.259 7.387 -8.362 296 2HG GLU 35 HG1 GLU 35 -1.821 7.093 -7.597 297 H ALA 36 HN ALA 36 1.438 7.878 -6.935 298 HA ALA 36 HA ALA 36 3.198 10.270 -7.077 299 1HB ALA 36 HB3 ALA 36 3.218 8.445 -4.905 300 2HB ALA 36 HB2 ALA 36 4.653 8.107 -5.869 301 3HB ALA 36 HB1 ALA 36 4.377 9.728 -5.239 302 H GLU 37 HN GLU 37 5.576 9.000 -7.645 303 HA GLU 37 HA GLU 37 4.944 7.063 -9.824 304 1HB GLU 37 HB2 GLU 37 6.604 8.358 -11.270 305 2HB GLU 37 HB1 GLU 37 5.035 9.122 -11.019 306 1HG GLU 37 HG2 GLU 37 5.933 10.848 -9.855 307 2HG GLU 37 HG1 GLU 37 7.016 9.789 -8.950 308 H ASP 38 HN ASP 38 6.755 7.689 -7.118 309 HA ASP 38 HA ASP 38 8.504 5.459 -7.585 310 1HB ASP 38 HB2 ASP 38 9.706 6.998 -9.062 311 2HB ASP 38 HB1 ASP 38 9.763 8.214 -7.789 312 H GLY 39 HN GLY 39 10.294 5.478 -5.776 313 1HA GLY 39 HA2 GLY 39 9.001 5.697 -3.256 314 2HA GLY 39 HA1 GLY 39 10.739 5.533 -3.485 315 H VAL 40 HN VAL 40 11.624 7.748 -4.574 316 HA VAL 40 HA VAL 40 11.652 9.684 -2.552 317 HB VAL 40 HB VAL 40 13.251 9.618 -4.464 318 1HG1 VAL 40 HG12 VAL 40 11.199 9.302 -6.090 319 2HG1 VAL 40 HG11 VAL 40 11.214 11.065 -6.128 320 3HG1 VAL 40 HG13 VAL 40 12.637 10.160 -6.645 321 1HG2 VAL 40 HG21 VAL 40 12.657 11.735 -3.039 322 2HG2 VAL 40 HG23 VAL 40 13.618 11.938 -4.504 323 3HG2 VAL 40 HG22 VAL 40 11.894 12.307 -4.523 324 H ASP 41 HN ASP 41 9.324 9.134 -5.100 325 HA ASP 41 HA ASP 41 7.987 11.700 -4.791 326 1HB ASP 41 HB2 ASP 41 7.944 10.064 -6.812 327 2HB ASP 41 HB1 ASP 41 6.715 9.204 -5.896 328 H ALA 42 HN ALA 42 7.324 8.357 -3.734 329 HA ALA 42 HA ALA 42 4.903 8.830 -2.368 330 1HB ALA 42 HB2 ALA 42 6.795 6.722 -2.565 331 2HB ALA 42 HB1 ALA 42 6.521 7.006 -0.846 332 3HB ALA 42 HB3 ALA 42 5.161 6.643 -1.907 333 H LEU 43 HN LEU 43 8.078 8.540 -0.748 334 HA LEU 43 HA LEU 43 7.341 9.570 1.738 335 1HB LEU 43 HB2 LEU 43 9.914 9.566 0.197 336 2HB LEU 43 HB1 LEU 43 9.824 10.455 1.719 337 HG LEU 43 HG LEU 43 8.756 7.660 1.640 338 1HD1 LEU 43 HD13 LEU 43 11.630 8.477 1.415 339 2HD1 LEU 43 HD12 LEU 43 11.222 7.092 2.426 340 3HD1 LEU 43 HD11 LEU 43 10.805 7.086 0.713 341 1HD2 LEU 43 HD21 LEU 43 8.768 9.430 3.597 342 2HD2 LEU 43 HD23 LEU 43 9.138 7.740 3.943 343 3HD2 LEU 43 HD22 LEU 43 10.445 8.915 3.786 344 H ASN 44 HN ASN 44 8.480 11.440 -1.098 345 HA ASN 44 HA ASN 44 8.413 13.979 0.207 346 1HB ASN 44 HB2 ASN 44 8.246 13.134 -2.680 347 2HB ASN 44 HB1 ASN 44 8.107 14.830 -2.220 348 1HD2 ASN 44 HD22 ASN 44 11.750 13.616 -2.724 349 2HD2 ASN 44 HD21 ASN 44 10.361 13.197 -3.605 350 H LYS 45 HN LYS 45 5.904 12.210 -1.579 351 HA LYS 45 HA LYS 45 4.007 14.429 -1.152 352 1HB LYS 45 HB2 LYS 45 4.092 11.985 -2.815 353 2HB LYS 45 HB1 LYS 45 2.496 12.434 -2.214 354 1HG LYS 45 HG2 LYS 45 2.760 14.694 -3.124 355 2HG LYS 45 HG1 LYS 45 4.386 14.298 -3.680 356 1HD LYS 45 HD2 LYS 45 3.528 12.642 -5.221 357 2HD LYS 45 HD1 LYS 45 1.897 12.820 -4.574 358 1HE LYS 45 HE2 LYS 45 1.492 14.536 -5.968 359 2HE LYS 45 HE1 LYS 45 2.896 15.406 -5.349 360 1HZ LYS 45 HZ3 LYS 45 4.150 13.680 -6.846 361 2HZ LYS 45 HZ2 LYS 45 2.670 13.651 -7.682 362 3HZ LYS 45 HZ1 LYS 45 3.519 15.112 -7.502 363 H LEU 46 HN LEU 46 5.092 11.930 0.757 364 HA LEU 46 HA LEU 46 2.453 11.264 1.877 365 1HB LEU 46 HB2 LEU 46 5.066 10.059 1.931 366 2HB LEU 46 HB1 LEU 46 4.574 10.379 3.586 367 HG LEU 46 HG LEU 46 2.313 9.221 2.231 368 1HD1 LEU 46 HD11 LEU 46 4.095 8.398 0.645 369 2HD1 LEU 46 HD13 LEU 46 4.790 7.528 2.010 370 3HD1 LEU 46 HD12 LEU 46 3.164 7.138 1.461 371 1HD2 LEU 46 HD22 LEU 46 4.242 8.195 4.320 372 2HD2 LEU 46 HD21 LEU 46 2.719 9.037 4.613 373 3HD2 LEU 46 HD23 LEU 46 2.715 7.422 3.906 374 H GLN 47 HN GLN 47 5.201 13.313 2.591 375 HA GLN 47 HA GLN 47 4.671 13.923 5.299 376 1HB GLN 47 HB2 GLN 47 5.856 15.480 3.011 377 2HB GLN 47 HB1 GLN 47 5.569 16.280 4.557 378 1HG GLN 47 HG2 GLN 47 7.067 14.882 5.706 379 2HG GLN 47 HG1 GLN 47 7.009 13.637 4.456 380 1HE2 GLN 47 HE22 GLN 47 9.814 14.956 2.807 381 2HE2 GLN 47 HE21 GLN 47 8.837 13.611 3.152 382 H ALA 48 HN ALA 48 2.698 14.340 2.612 383 HA ALA 48 HA ALA 48 1.362 16.737 2.878 384 1HB ALA 48 HB1 ALA 48 0.889 14.602 1.384 385 2HB ALA 48 HB3 ALA 48 -0.302 14.259 2.639 386 3HB ALA 48 HB2 ALA 48 -0.397 15.761 1.721 387 H GLY 49 HN GLY 49 0.147 13.768 4.506 388 1HA GLY 49 HA2 GLY 49 -0.381 15.417 6.931 389 2HA GLY 49 HA1 GLY 49 -1.745 14.588 6.181 390 H GLY 50 HN GLY 50 -1.878 12.318 6.339 391 1HA GLY 50 HA2 GLY 50 0.269 10.805 7.650 392 2HA GLY 50 HA1 GLY 50 -1.191 10.998 8.622 393 OH TYR 51 OH TYR 51 -1.439 11.862 -0.270 394 H TYR 51 HN TYR 51 -0.038 9.832 5.486 395 HA TYR 51 HA TYR 51 -2.427 8.641 4.587 396 1HB TYR 51 HB2 TYR 51 0.481 8.058 4.125 397 2HB TYR 51 HB1 TYR 51 -0.759 7.022 3.421 398 HD1 TYR 51 HD1 TYR 51 0.701 10.391 3.461 399 HD2 TYR 51 HD2 TYR 51 -2.304 7.861 1.733 400 HE1 TYR 51 HE1 TYR 51 0.298 12.079 1.691 401 HE2 TYR 51 HE2 TYR 51 -2.702 9.547 -0.044 402 HH TYR 51 HH TYR 51 -1.275 12.729 0.107 403 H GLY 52 HN GLY 52 -3.501 7.613 6.314 404 1HA GLY 52 HA2 GLY 52 -2.353 5.718 8.078 405 2HA GLY 52 HA1 GLY 52 -4.053 5.766 7.643 406 H PHE 53 HN PHE 53 -2.750 5.554 4.729 407 HA PHE 53 HA PHE 53 -2.121 2.657 4.782 408 1HB PHE 53 HB2 PHE 53 -4.705 3.656 4.276 409 2HB PHE 53 HB1 PHE 53 -4.049 3.214 2.704 410 HD1 PHE 53 HD2 PHE 53 -4.556 1.929 6.173 411 HD2 PHE 53 HD1 PHE 53 -3.935 0.953 2.054 412 HE1 PHE 53 HE2 PHE 53 -5.046 -0.428 6.653 413 HE2 PHE 53 HE1 PHE 53 -4.459 -1.393 2.515 414 HZ PHE 53 HZ PHE 53 -4.997 -2.117 4.828 415 H VAL 54 HN VAL 54 -0.709 2.117 3.124 416 HA VAL 54 HA VAL 54 -0.408 4.061 0.873 417 HB VAL 54 HB VAL 54 1.857 2.898 2.515 418 1HG1 VAL 54 HG12 VAL 54 1.707 4.059 -0.207 419 2HG1 VAL 54 HG11 VAL 54 2.979 4.717 0.821 420 3HG1 VAL 54 HG13 VAL 54 2.920 2.986 0.491 421 1HG2 VAL 54 HG23 VAL 54 0.760 5.694 2.123 422 2HG2 VAL 54 HG22 VAL 54 0.901 4.800 3.633 423 3HG2 VAL 54 HG21 VAL 54 2.350 5.378 2.813 424 H ILE 55 HN ILE 55 -0.691 3.008 -0.966 425 HA ILE 55 HA ILE 55 -0.102 0.082 -1.100 426 HB ILE 55 HB ILE 55 -1.764 1.769 -2.999 427 1HG1 ILE 55 HG12 ILE 55 -2.651 0.024 -0.679 428 2HG1 ILE 55 HG11 ILE 55 -2.748 1.784 -0.735 429 1HG2 ILE 55 HG22 ILE 55 -0.696 -0.670 -3.462 430 2HG2 ILE 55 HG21 ILE 55 -2.173 -1.154 -2.631 431 3HG2 ILE 55 HG23 ILE 55 -2.263 -0.181 -4.098 432 1HD1 ILE 55 HD13 ILE 55 -4.187 1.570 -2.790 433 2HD1 ILE 55 HD12 ILE 55 -4.205 -0.175 -2.533 434 3HD1 ILE 55 HD11 ILE 55 -4.922 0.899 -1.334 435 H SER 56 HN SER 56 1.553 -0.571 -2.438 436 HA SER 56 HA SER 56 2.437 1.191 -4.645 437 1HB SER 56 HB2 SER 56 4.733 1.295 -3.897 438 2HB SER 56 HB1 SER 56 3.718 1.876 -2.581 439 HG SER 56 HG SER 56 4.217 0.163 -1.436 440 H ASP 57 HN ASP 57 3.644 0.017 -6.243 441 HA ASP 57 HA ASP 57 2.993 -2.747 -6.510 442 1HB ASP 57 HB2 ASP 57 5.084 -1.021 -7.857 443 2HB ASP 57 HB1 ASP 57 4.806 -2.704 -8.307 444 CH2 TRP 58 CH2 TRP 58 9.504 -6.557 -1.072 445 H TRP 58 HN TRP 58 6.268 -2.640 -7.182 446 HA TRP 58 HA TRP 58 7.145 -3.470 -4.489 447 1HB TRP 58 HB2 TRP 58 6.266 -5.563 -5.438 448 2HB TRP 58 HB1 TRP 58 7.275 -5.347 -6.869 449 HD1 TRP 58 HD1 TRP 58 9.571 -6.432 -6.777 450 HE1 TRP 58 HE1 TRP 58 11.116 -7.328 -4.916 451 HE3 TRP 58 HE3 TRP 58 6.873 -5.078 -2.658 452 HZ2 TRP 58 HZ2 TRP 58 11.197 -7.451 -2.056 453 HZ3 TRP 58 HZ3 TRP 58 7.706 -5.595 -0.385 454 HH2 TRP 58 HH2 TRP 58 9.862 -6.780 -0.077 455 H ASN 59 HN ASN 59 8.000 -3.119 -7.935 456 HA ASN 59 HA ASN 59 10.199 -1.397 -7.426 457 1HB ASN 59 HB2 ASN 59 11.549 -3.003 -6.465 458 2HB ASN 59 HB1 ASN 59 10.776 -4.324 -7.338 459 1HD2 ASN 59 HD22 ASN 59 12.852 -3.955 -10.243 460 2HD2 ASN 59 HD21 ASN 59 11.334 -4.503 -9.720 461 H MET 60 HN MET 60 10.098 -0.313 -9.308 462 HA MET 60 HA MET 60 10.172 -1.863 -11.843 463 1HB MET 60 HB2 MET 60 8.015 -0.162 -10.960 464 2HB MET 60 HB1 MET 60 8.740 0.487 -12.436 465 1HG MET 60 HG2 MET 60 6.949 -1.126 -12.964 466 2HG MET 60 HG1 MET 60 8.518 -1.710 -13.519 467 1HE MET 60 HE3 MET 60 7.434 -3.752 -13.893 468 2HE MET 60 HE2 MET 60 7.255 -5.059 -12.727 469 3HE MET 60 HE1 MET 60 5.943 -3.906 -12.954 470 HA PRO 61 HA PRO 61 12.223 2.394 -12.717 471 1HB PRO 61 HB2 PRO 61 12.781 3.739 -10.235 472 2HB PRO 61 HB1 PRO 61 11.763 4.308 -11.565 473 1HG PRO 61 HG2 PRO 61 10.904 3.414 -8.980 474 2HG PRO 61 HG1 PRO 61 9.889 3.912 -10.340 475 1HD PRO 61 HD2 PRO 61 10.341 1.246 -9.316 476 2HD PRO 61 HD1 PRO 61 9.233 1.764 -10.595 477 H ASN 62 HN ASN 62 13.045 1.644 -9.327 478 HA ASN 62 HA ASN 62 15.433 0.133 -10.135 479 1HB ASN 62 HB2 ASN 62 15.859 2.458 -8.263 480 2HB ASN 62 HB1 ASN 62 17.057 1.549 -9.184 481 1HD2 ASN 62 HD22 ASN 62 15.113 4.681 -10.929 482 2HD2 ASN 62 HD21 ASN 62 14.665 4.141 -9.383 483 H MET 63 HN MET 63 16.545 0.547 -7.365 484 HA MET 63 HA MET 63 15.355 -1.592 -6.005 485 1HB MET 63 HB2 MET 63 16.842 0.850 -5.065 486 2HB MET 63 HB1 MET 63 16.133 -0.244 -3.877 487 1HG MET 63 HG2 MET 63 17.501 -2.030 -4.507 488 2HG MET 63 HG1 MET 63 17.803 -1.361 -6.111 489 1HE MET 63 HE1 MET 63 19.761 -2.672 -4.490 490 2HE MET 63 HE3 MET 63 21.070 -1.696 -3.805 491 3HE MET 63 HE2 MET 63 19.640 -2.062 -2.842 492 H ASP 64 HN ASP 64 14.876 1.716 -4.794 493 HA ASP 64 HA ASP 64 13.005 2.621 -3.682 494 1HB ASP 64 HB2 ASP 64 12.583 2.379 -6.377 495 2HB ASP 64 HB1 ASP 64 11.164 1.560 -5.725 496 H GLY 65 HN GLY 65 10.292 1.742 -3.869 497 1HA GLY 65 HA2 GLY 65 8.836 0.457 -2.565 498 2HA GLY 65 HA1 GLY 65 9.696 -0.886 -3.253 499 H LEU 66 HN LEU 66 11.576 -1.745 -2.029 500 HA LEU 66 HA LEU 66 11.083 -2.081 0.705 501 1HB LEU 66 HB2 LEU 66 13.024 -2.977 -1.088 502 2HB LEU 66 HB1 LEU 66 13.953 -2.132 0.145 503 HG LEU 66 HG LEU 66 13.708 -4.453 0.815 504 1HD1 LEU 66 HD13 LEU 66 13.082 -2.310 2.401 505 2HD1 LEU 66 HD12 LEU 66 11.654 -3.325 2.609 506 3HD1 LEU 66 HD11 LEU 66 13.254 -3.964 2.987 507 1HD2 LEU 66 HD21 LEU 66 11.133 -4.168 -0.373 508 2HD2 LEU 66 HD23 LEU 66 11.868 -5.631 0.283 509 3HD2 LEU 66 HD22 LEU 66 10.887 -4.596 1.320 510 H GLU 67 HN GLU 67 14.008 -0.239 -0.266 511 HA GLU 67 HA GLU 67 14.316 1.150 2.138 512 1HB GLU 67 HB2 GLU 67 15.020 1.765 -0.712 513 2HB GLU 67 HB1 GLU 67 15.234 3.023 0.501 514 1HG GLU 67 HG2 GLU 67 16.907 1.878 1.601 515 2HG GLU 67 HG1 GLU 67 16.264 0.299 1.151 516 H LEU 68 HN LEU 68 12.165 1.804 -0.543 517 HA LEU 68 HA LEU 68 11.263 4.408 0.209 518 1HB LEU 68 HB2 LEU 68 10.443 3.974 -1.864 519 2HB LEU 68 HB1 LEU 68 10.537 2.259 -1.609 520 HG LEU 68 HG LEU 68 8.371 2.263 -0.462 521 1HD1 LEU 68 HD13 LEU 68 8.940 5.048 -0.189 522 2HD1 LEU 68 HD12 LEU 68 7.477 4.894 -1.158 523 3HD1 LEU 68 HD11 LEU 68 7.554 4.158 0.441 524 1HD2 LEU 68 HD22 LEU 68 8.832 2.688 -3.169 525 2HD2 LEU 68 HD21 LEU 68 7.301 2.177 -2.453 526 3HD2 LEU 68 HD23 LEU 68 7.600 3.883 -2.773 527 H LEU 69 HN LEU 69 10.313 1.166 1.170 528 HA LEU 69 HA LEU 69 8.130 2.179 2.859 529 1HB LEU 69 HB2 LEU 69 8.003 0.069 1.493 530 2HB LEU 69 HB1 LEU 69 9.178 -0.643 2.583 531 HG LEU 69 HG LEU 69 6.701 0.627 3.737 532 1HD1 LEU 69 HD11 LEU 69 6.075 -0.994 1.846 533 2HD1 LEU 69 HD13 LEU 69 6.774 -2.255 2.860 534 3HD1 LEU 69 HD12 LEU 69 5.399 -1.316 3.438 535 1HD2 LEU 69 HD21 LEU 69 8.885 -0.856 4.769 536 2HD2 LEU 69 HD23 LEU 69 7.429 -0.359 5.617 537 3HD2 LEU 69 HD22 LEU 69 7.487 -1.922 4.810 538 H LYS 70 HN LYS 70 10.951 0.078 3.362 539 HA LYS 70 HA LYS 70 11.182 -0.087 6.069 540 1HB LYS 70 HB2 LYS 70 12.878 -0.861 4.351 541 2HB LYS 70 HB1 LYS 70 13.535 0.775 4.373 542 1HG LYS 70 HG2 LYS 70 13.353 0.159 7.067 543 2HG LYS 70 HG1 LYS 70 13.812 -1.381 6.348 544 1HD LYS 70 HD2 LYS 70 15.844 -0.176 6.888 545 2HD LYS 70 HD1 LYS 70 15.668 -0.207 5.135 546 1HE LYS 70 HE2 LYS 70 14.366 2.115 6.388 547 2HE LYS 70 HE1 LYS 70 16.108 2.063 6.644 548 1HZ LYS 70 HZ2 LYS 70 15.390 1.369 3.970 549 2HZ LYS 70 HZ1 LYS 70 14.834 2.919 4.388 550 3HZ LYS 70 HZ3 LYS 70 16.483 2.546 4.525 551 H THR 71 HN THR 71 11.762 2.853 4.186 552 HA THR 71 HA THR 71 12.888 4.443 6.267 553 HB THR 71 HB THR 71 11.075 5.245 3.967 554 HG1 THR 71 HG1 THR 71 13.815 5.760 4.128 555 1HG2 THR 71 HG22 THR 71 12.502 6.806 6.084 556 2HG2 THR 71 HG21 THR 71 12.414 7.479 4.455 557 3HG2 THR 71 HG23 THR 71 10.932 7.106 5.338 558 H ILE 72 HN ILE 72 9.492 4.014 5.252 559 HA ILE 72 HA ILE 72 8.260 5.609 7.239 560 HB ILE 72 HB ILE 72 7.409 3.083 5.813 561 1HG1 ILE 72 HG12 ILE 72 5.698 5.395 5.484 562 2HG1 ILE 72 HG11 ILE 72 7.365 5.857 5.161 563 1HG2 ILE 72 HG21 ILE 72 6.063 4.550 8.054 564 2HG2 ILE 72 HG23 ILE 72 5.073 3.832 6.783 565 3HG2 ILE 72 HG22 ILE 72 6.147 2.815 7.745 566 1HD1 ILE 72 HD12 ILE 72 6.205 3.352 3.927 567 2HD1 ILE 72 HD11 ILE 72 5.949 4.930 3.191 568 3HD1 ILE 72 HD13 ILE 72 7.585 4.321 3.401 569 NH1 ARG 73 NH1 ARG 73 13.584 -3.208 9.899 570 NH2 ARG 73 NH2 ARG 73 14.472 -1.201 9.354 571 H ARG 73 HN ARG 73 9.458 2.279 7.359 572 HA ARG 73 HA ARG 73 8.455 1.726 10.014 573 1HB ARG 73 HB2 ARG 73 9.054 -0.103 8.513 574 2HB ARG 73 HB1 ARG 73 10.720 0.469 8.437 575 1HG ARG 73 HG2 ARG 73 9.770 0.084 11.183 576 2HG ARG 73 HG1 ARG 73 9.756 -1.402 10.234 577 1HD ARG 73 HD2 ARG 73 12.144 0.453 10.324 578 2HD ARG 73 HD1 ARG 73 11.940 -0.892 11.447 579 HE ARG 73 HE ARG 73 11.678 -1.704 8.662 580 1HH1 ARG 73 HH11 ARG 73 12.784 -3.786 10.058 581 2HH1 ARG 73 HH12 ARG 73 14.504 -3.588 9.997 582 1HH2 ARG 73 HH21 ARG 73 14.353 -0.242 9.097 583 2HH2 ARG 73 HH22 ARG 73 15.392 -1.581 9.453 584 H ALA 74 HN ALA 74 11.417 3.157 8.747 585 HA ALA 74 HA ALA 74 13.071 3.017 11.019 586 1HB ALA 74 HB2 ALA 74 13.709 3.958 8.771 587 2HB ALA 74 HB1 ALA 74 12.813 5.419 9.187 588 3HB ALA 74 HB3 ALA 74 14.227 4.951 10.133 589 H ASP 75 HN ASP 75 10.251 5.014 10.425 590 HA ASP 75 HA ASP 75 10.753 6.833 12.642 591 1HB ASP 75 HB2 ASP 75 9.341 7.653 10.895 592 2HB ASP 75 HB1 ASP 75 8.309 6.224 10.967 593 H GLY 76 HN GLY 76 10.993 5.700 14.573 594 1HA GLY 76 HA2 GLY 76 9.421 3.443 15.352 595 2HA GLY 76 HA1 GLY 76 10.331 4.471 16.460 596 H ALA 77 HN ALA 77 8.778 6.863 15.396 597 HA ALA 77 HA ALA 77 6.743 6.889 17.418 598 1HB ALA 77 HB1 ALA 77 7.964 8.823 15.985 599 2HB ALA 77 HB3 ALA 77 6.455 8.707 15.080 600 3HB ALA 77 HB2 ALA 77 6.423 9.078 16.803 601 H MET 78 HN MET 78 6.665 6.248 13.931 602 HA MET 78 HA MET 78 3.932 5.102 14.285 603 1HB MET 78 HB2 MET 78 4.700 6.686 11.830 604 2HB MET 78 HB1 MET 78 3.091 6.177 12.342 605 1HG MET 78 HG2 MET 78 3.664 7.630 14.480 606 2HG MET 78 HG1 MET 78 4.784 8.423 13.372 607 1HE MET 78 HE1 MET 78 4.257 8.869 11.093 608 2HE MET 78 HE3 MET 78 2.763 9.598 10.489 609 3HE MET 78 HE2 MET 78 3.779 10.479 11.627 610 H SER 79 HN SER 79 6.268 3.600 14.282 611 HA SER 79 HA SER 79 6.884 2.664 11.589 612 1HB SER 79 HB2 SER 79 8.653 2.429 13.153 613 2HB SER 79 HB1 SER 79 7.596 1.723 14.369 614 HG SER 79 HG SER 79 7.552 -0.149 13.253 615 H ALA 80 HN ALA 80 4.114 2.534 11.953 616 HA ALA 80 HA ALA 80 3.705 -0.378 11.670 617 1HB ALA 80 HB1 ALA 80 3.156 0.823 14.106 618 2HB ALA 80 HB3 ALA 80 1.588 0.820 13.298 619 3HB ALA 80 HB2 ALA 80 2.462 -0.694 13.532 620 H LEU 81 HN LEU 81 3.354 2.512 10.319 621 HA LEU 81 HA LEU 81 0.649 2.838 9.672 622 1HB LEU 81 HB2 LEU 81 2.830 4.186 8.972 623 2HB LEU 81 HB1 LEU 81 2.676 3.214 7.512 624 HG LEU 81 HG LEU 81 0.288 3.976 7.319 625 1HD1 LEU 81 HD12 LEU 81 1.029 5.318 9.857 626 2HD1 LEU 81 HD11 LEU 81 0.151 6.320 8.704 627 3HD1 LEU 81 HD13 LEU 81 -0.553 4.807 9.271 628 1HD2 LEU 81 HD22 LEU 81 2.711 5.592 6.988 629 2HD2 LEU 81 HD21 LEU 81 1.383 5.315 5.862 630 3HD2 LEU 81 HD23 LEU 81 1.244 6.564 7.098 631 HA PRO 82 HA PRO 82 0.108 -1.169 7.624 632 1HB PRO 82 HB2 PRO 82 -2.361 -0.316 6.446 633 2HB PRO 82 HB1 PRO 82 -2.129 -1.427 7.793 634 1HG PRO 82 HG2 PRO 82 -3.127 1.268 7.899 635 2HG PRO 82 HG1 PRO 82 -2.865 0.161 9.250 636 1HD PRO 82 HD2 PRO 82 -1.335 2.496 8.563 637 2HD PRO 82 HD1 PRO 82 -1.071 1.369 9.914 638 H VAL 83 HN VAL 83 0.872 -1.786 5.687 639 HA VAL 83 HA VAL 83 0.546 0.035 3.329 640 HB VAL 83 HB VAL 83 2.973 -1.509 4.260 641 1HG1 VAL 83 HG12 VAL 83 2.065 -0.908 1.440 642 2HG1 VAL 83 HG11 VAL 83 3.776 -0.887 1.822 643 3HG1 VAL 83 HG13 VAL 83 2.849 -2.361 2.071 644 1HG2 VAL 83 HG21 VAL 83 2.309 1.170 4.304 645 2HG2 VAL 83 HG23 VAL 83 3.955 0.539 4.327 646 3HG2 VAL 83 HG22 VAL 83 3.225 1.036 2.803 647 H LEU 84 HN LEU 84 -0.546 -0.977 1.734 648 HA LEU 84 HA LEU 84 -0.552 -3.943 1.816 649 1HB LEU 84 HB2 LEU 84 -2.781 -2.849 1.994 650 2HB LEU 84 HB1 LEU 84 -2.520 -2.123 0.412 651 HG LEU 84 HG LEU 84 -2.304 -4.391 -0.575 652 1HD1 LEU 84 HD13 LEU 84 -2.528 -5.151 2.302 653 2HD1 LEU 84 HD12 LEU 84 -3.328 -6.195 1.129 654 3HD1 LEU 84 HD11 LEU 84 -1.593 -5.904 1.011 655 1HD2 LEU 84 HD22 LEU 84 -4.690 -3.261 0.655 656 2HD2 LEU 84 HD21 LEU 84 -4.499 -4.013 -0.929 657 3HD2 LEU 84 HD23 LEU 84 -4.811 -5.013 0.489 658 H MET 85 HN MET 85 1.647 -3.604 0.818 659 HA MET 85 HA MET 85 2.070 -2.488 -1.713 660 1HB MET 85 HB2 MET 85 3.428 -4.404 -0.002 661 2HB MET 85 HB1 MET 85 3.585 -4.858 -1.698 662 1HG MET 85 HG2 MET 85 4.503 -2.709 -2.272 663 2HG MET 85 HG1 MET 85 4.122 -2.058 -0.678 664 1HE MET 85 HE1 MET 85 6.314 -1.129 -0.560 665 2HE MET 85 HE3 MET 85 7.844 -1.976 -0.295 666 3HE MET 85 HE2 MET 85 7.167 -1.859 -1.917 667 H VAL 86 HN VAL 86 2.418 -3.812 -3.781 668 HA VAL 86 HA VAL 86 0.424 -6.001 -4.056 669 HB VAL 86 HB VAL 86 0.515 -3.516 -5.787 670 1HG1 VAL 86 HG13 VAL 86 -1.162 -6.026 -5.836 671 2HG1 VAL 86 HG12 VAL 86 -1.628 -4.547 -6.677 672 3HG1 VAL 86 HG11 VAL 86 -0.139 -5.381 -7.120 673 1HG2 VAL 86 HG21 VAL 86 -1.431 -4.459 -3.662 674 2HG2 VAL 86 HG23 VAL 86 -0.476 -2.978 -3.651 675 3HG2 VAL 86 HG22 VAL 86 -1.790 -3.169 -4.809 676 H THR 87 HN THR 87 1.319 -7.646 -5.237 677 HA THR 87 HA THR 87 3.162 -6.951 -7.447 678 HB THR 87 HB THR 87 4.400 -7.311 -5.134 679 HG1 THR 87 HG1 THR 87 6.099 -8.330 -6.396 680 1HG2 THR 87 HG23 THR 87 3.146 -9.570 -4.922 681 2HG2 THR 87 HG22 THR 87 4.309 -10.159 -6.109 682 3HG2 THR 87 HG21 THR 87 4.869 -9.543 -4.555 683 H ALA 88 HN ALA 88 3.967 -9.190 -8.420 684 HA ALA 88 HA ALA 88 1.642 -11.078 -8.437 685 1HB ALA 88 HB2 ALA 88 3.281 -9.999 -10.742 686 2HB ALA 88 HB1 ALA 88 2.276 -11.442 -10.884 687 3HB ALA 88 HB3 ALA 88 1.536 -9.885 -10.510 688 H GLU 89 HN GLU 89 5.087 -10.590 -8.421 689 HA GLU 89 HA GLU 89 5.582 -13.516 -8.674 690 1HB GLU 89 HB2 GLU 89 6.955 -11.808 -9.973 691 2HB GLU 89 HB1 GLU 89 7.636 -11.306 -8.425 692 1HG GLU 89 HG2 GLU 89 7.990 -13.969 -8.203 693 2HG GLU 89 HG1 GLU 89 8.069 -13.819 -9.958 694 H ALA 90 HN ALA 90 4.264 -12.970 -6.348 695 HA ALA 90 HA ALA 90 6.085 -12.368 -4.159 696 1HB ALA 90 HB1 ALA 90 3.254 -12.831 -4.499 697 2HB ALA 90 HB3 ALA 90 3.868 -13.807 -3.165 698 3HB ALA 90 HB2 ALA 90 4.094 -12.059 -3.153 699 H LYS 91 HN LYS 91 7.785 -13.825 -4.003 700 HA LYS 91 HA LYS 91 7.254 -16.712 -4.275 701 1HB LYS 91 HB2 LYS 91 9.349 -15.580 -5.160 702 2HB LYS 91 HB1 LYS 91 9.856 -15.376 -3.484 703 1HG LYS 91 HG2 LYS 91 9.104 -18.040 -3.581 704 2HG LYS 91 HG1 LYS 91 9.863 -17.787 -5.153 705 1HD LYS 91 HD2 LYS 91 11.103 -17.078 -2.475 706 2HD LYS 91 HD1 LYS 91 11.525 -18.481 -3.458 707 1HE LYS 91 HE2 LYS 91 13.002 -17.205 -4.572 708 2HE LYS 91 HE1 LYS 91 11.658 -16.239 -5.180 709 1HZ LYS 91 HZ2 LYS 91 12.747 -15.769 -2.481 710 2HZ LYS 91 HZ1 LYS 91 13.496 -15.083 -3.843 711 3HZ LYS 91 HZ3 LYS 91 11.882 -14.706 -3.484 712 H LYS 92 HN LYS 92 9.338 -15.221 -1.809 713 HA LYS 92 HA LYS 92 7.585 -15.728 0.405 714 1HB LYS 92 HB2 LYS 92 8.369 -18.095 -0.495 715 2HB LYS 92 HB1 LYS 92 9.842 -17.708 0.389 716 1HG LYS 92 HG2 LYS 92 8.638 -18.706 2.087 717 2HG LYS 92 HG1 LYS 92 8.095 -17.040 2.289 718 1HD LYS 92 HD2 LYS 92 6.166 -17.565 0.752 719 2HD LYS 92 HD1 LYS 92 6.662 -19.256 0.799 720 1HE LYS 92 HE2 LYS 92 6.065 -17.643 3.291 721 2HE LYS 92 HE1 LYS 92 4.854 -18.624 2.466 722 1HZ LYS 92 HZ1 LYS 92 7.202 -20.134 2.809 723 2HZ LYS 92 HZ3 LYS 92 6.765 -19.463 4.304 724 3HZ LYS 92 HZ2 LYS 92 5.653 -20.420 3.447 725 H GLU 93 HN GLU 93 11.091 -16.365 0.076 726 HA GLU 93 HA GLU 93 11.891 -14.930 2.330 727 1HB GLU 93 HB2 GLU 93 13.165 -16.104 0.043 728 2HB GLU 93 HB1 GLU 93 13.889 -14.526 0.351 729 1HG GLU 93 HG2 GLU 93 14.216 -15.154 2.728 730 2HG GLU 93 HG1 GLU 93 13.540 -16.748 2.386 731 H ASN 94 HN ASN 94 11.141 -13.737 -0.903 732 HA ASN 94 HA ASN 94 12.161 -11.070 -0.461 733 1HB ASN 94 HB2 ASN 94 10.371 -12.376 -2.486 734 2HB ASN 94 HB1 ASN 94 10.454 -10.617 -2.420 735 1HD2 ASN 94 HD22 ASN 94 13.361 -10.710 -4.398 736 2HD2 ASN 94 HD21 ASN 94 11.826 -10.037 -4.129 737 H ILE 95 HN ILE 95 9.202 -12.715 0.361 738 HA ILE 95 HA ILE 95 7.715 -10.229 0.835 739 HB ILE 95 HB ILE 95 7.086 -13.111 1.548 740 1HG1 ILE 95 HG12 ILE 95 5.903 -11.347 -0.615 741 2HG1 ILE 95 HG11 ILE 95 7.227 -12.475 -0.909 742 1HG2 ILE 95 HG23 ILE 95 5.812 -10.556 2.227 743 2HG2 ILE 95 HG22 ILE 95 4.717 -11.683 1.426 744 3HG2 ILE 95 HG21 ILE 95 5.543 -12.160 2.909 745 1HD1 ILE 95 HD12 ILE 95 5.057 -13.749 0.552 746 2HD1 ILE 95 HD11 ILE 95 4.495 -13.075 -0.978 747 3HD1 ILE 95 HD13 ILE 95 5.822 -14.238 -0.961 748 H ILE 96 HN ILE 96 9.459 -12.650 2.759 749 HA ILE 96 HA ILE 96 8.672 -11.768 5.335 750 HB ILE 96 HB ILE 96 11.010 -13.243 4.218 751 1HG1 ILE 96 HG12 ILE 96 10.295 -14.901 5.850 752 2HG1 ILE 96 HG11 ILE 96 9.215 -13.735 6.614 753 1HG2 ILE 96 HG23 ILE 96 11.002 -11.854 6.907 754 2HG2 ILE 96 HG22 ILE 96 11.960 -13.300 6.604 755 3HG2 ILE 96 HG21 ILE 96 12.266 -11.836 5.674 756 1HD1 ILE 96 HD13 ILE 96 8.879 -14.247 3.689 757 2HD1 ILE 96 HD12 ILE 96 8.310 -15.478 4.816 758 3HD1 ILE 96 HD11 ILE 96 7.665 -13.839 4.901 759 H ALA 97 HN ALA 97 11.622 -10.846 3.534 760 HA ALA 97 HA ALA 97 12.589 -8.871 5.243 761 1HB ALA 97 HB3 ALA 97 13.255 -9.688 2.729 762 2HB ALA 97 HB2 ALA 97 12.584 -8.094 2.386 763 3HB ALA 97 HB1 ALA 97 13.938 -8.259 3.504 764 H ALA 98 HN ALA 98 9.935 -8.630 2.924 765 HA ALA 98 HA ALA 98 9.506 -5.813 3.190 766 1HB ALA 98 HB2 ALA 98 8.470 -7.683 1.567 767 2HB ALA 98 HB1 ALA 98 7.168 -7.607 2.752 768 3HB ALA 98 HB3 ALA 98 7.651 -6.154 1.879 769 H ALA 99 HN ALA 99 7.618 -8.494 4.651 770 HA ALA 99 HA ALA 99 6.107 -6.899 6.393 771 1HB ALA 99 HB2 ALA 99 6.747 -9.734 6.136 772 2HB ALA 99 HB1 ALA 99 6.537 -9.255 7.819 773 3HB ALA 99 HB3 ALA 99 5.245 -8.971 6.655 774 H GLN 100 HN GLN 100 9.340 -8.308 6.886 775 HA GLN 100 HA GLN 100 9.737 -7.739 9.596 776 1HB GLN 100 HB2 GLN 100 11.375 -8.654 7.694 777 2HB GLN 100 HB1 GLN 100 11.918 -6.976 7.692 778 1HG GLN 100 HG2 GLN 100 13.305 -7.989 9.305 779 2HG GLN 100 HG1 GLN 100 12.036 -7.238 10.274 780 1HE2 GLN 100 HE22 GLN 100 10.604 -10.889 10.000 781 2HE2 GLN 100 HE21 GLN 100 10.325 -9.619 8.909 782 H ALA 101 HN ALA 101 9.197 -5.607 6.979 783 HA ALA 101 HA ALA 101 10.053 -3.231 8.562 784 1HB ALA 101 HB1 ALA 101 10.829 -3.507 6.161 785 2HB ALA 101 HB3 ALA 101 9.144 -3.344 5.666 786 3HB ALA 101 HB2 ALA 101 9.958 -2.010 6.478 787 H GLY 102 HN GLY 102 7.909 -2.147 6.396 788 1HA GLY 102 HA2 GLY 102 5.628 -2.296 8.267 789 2HA GLY 102 HA1 GLY 102 5.930 -0.916 7.233 790 H ALA 103 HN ALA 103 6.687 -3.630 5.500 791 HA ALA 103 HA ALA 103 4.569 -3.445 3.608 792 1HB ALA 103 HB1 ALA 103 6.943 -4.717 3.619 793 2HB ALA 103 HB3 ALA 103 5.880 -6.083 3.957 794 3HB ALA 103 HB2 ALA 103 5.646 -5.125 2.495 795 H SER 104 HN SER 104 4.084 -4.111 6.632 796 HA SER 104 HA SER 104 2.977 -6.424 7.352 797 1HB SER 104 HB2 SER 104 1.960 -3.646 7.661 798 2HB SER 104 HB1 SER 104 0.854 -4.947 8.091 799 HG SER 104 HG SER 104 3.529 -4.993 8.971 800 H GLY 105 HN GLY 105 1.504 -4.431 4.787 801 1HA GLY 105 HA2 GLY 105 -0.524 -6.599 4.408 802 2HA GLY 105 HA1 GLY 105 -0.729 -4.937 3.875 803 OH TYR 106 OH TYR 106 1.802 -13.117 -2.305 804 H TYR 106 HN TYR 106 -0.269 -7.871 2.638 805 HA TYR 106 HA TYR 106 1.073 -6.771 0.237 806 1HB TYR 106 HB2 TYR 106 3.005 -7.869 0.684 807 2HB TYR 106 HB1 TYR 106 2.271 -8.771 2.012 808 HD1 TYR 106 HD1 TYR 106 2.202 -8.610 -1.769 809 HD2 TYR 106 HD2 TYR 106 1.909 -11.068 1.750 810 HE1 TYR 106 HE1 TYR 106 2.046 -10.639 -3.179 811 HE2 TYR 106 HE2 TYR 106 1.759 -13.085 0.332 812 HH TYR 106 HH TYR 106 1.876 -13.887 -1.735 813 H VAL 107 HN VAL 107 -0.249 -7.236 -1.400 814 HA VAL 107 HA VAL 107 -1.827 -9.778 -1.278 815 HB VAL 107 HB VAL 107 -3.290 -7.820 -1.080 816 1HG1 VAL 107 HG13 VAL 107 -1.403 -6.613 -2.742 817 2HG1 VAL 107 HG12 VAL 107 -2.821 -6.783 -3.772 818 3HG1 VAL 107 HG11 VAL 107 -2.936 -5.912 -2.245 819 1HG2 VAL 107 HG22 VAL 107 -3.913 -9.850 -2.474 820 2HG2 VAL 107 HG21 VAL 107 -4.775 -8.373 -2.895 821 3HG2 VAL 107 HG23 VAL 107 -3.437 -8.927 -3.897 822 H VAL 108 HN VAL 108 -1.455 -11.150 -2.948 823 HA VAL 108 HA VAL 108 0.450 -10.299 -4.999 824 HB VAL 108 HB VAL 108 0.863 -12.513 -4.378 825 1HG1 VAL 108 HG11 VAL 108 -2.137 -12.725 -4.171 826 2HG1 VAL 108 HG13 VAL 108 -1.126 -14.169 -4.206 827 3HG1 VAL 108 HG12 VAL 108 -0.925 -12.983 -2.916 828 1HG2 VAL 108 HG23 VAL 108 0.281 -12.202 -6.913 829 2HG2 VAL 108 HG22 VAL 108 0.458 -13.834 -6.273 830 3HG2 VAL 108 HG21 VAL 108 -1.149 -13.156 -6.523 831 H LYS 109 HN LYS 109 -0.502 -8.983 -6.552 832 HA LYS 109 HA LYS 109 -3.263 -9.112 -7.309 833 1HB LYS 109 HB2 LYS 109 -2.740 -7.166 -8.340 834 2HB LYS 109 HB1 LYS 109 -1.113 -7.397 -7.726 835 1HG LYS 109 HG2 LYS 109 -0.536 -8.673 -9.800 836 2HG LYS 109 HG1 LYS 109 -2.142 -8.299 -10.436 837 1HD LYS 109 HD2 LYS 109 -1.688 -5.932 -10.385 838 2HD LYS 109 HD1 LYS 109 -0.169 -6.192 -9.527 839 1HE LYS 109 HE2 LYS 109 -0.725 -7.356 -12.265 840 2HE LYS 109 HE1 LYS 109 0.058 -5.793 -12.028 841 1HZ LYS 109 HZ1 LYS 109 1.340 -7.569 -10.345 842 2HZ LYS 109 HZ3 LYS 109 1.167 -8.387 -11.821 843 3HZ LYS 109 HZ2 LYS 109 1.952 -6.880 -11.773 844 HA PRO 110 HA PRO 110 -4.256 -8.449 -9.478 845 1HB PRO 110 HB2 PRO 110 -6.276 -10.113 -10.638 846 2HB PRO 110 HB1 PRO 110 -5.345 -8.837 -11.434 847 1HG PRO 110 HG2 PRO 110 -5.143 -11.634 -11.918 848 2HG PRO 110 HG1 PRO 110 -4.078 -10.370 -12.551 849 1HD PRO 110 HD2 PRO 110 -3.566 -12.309 -10.398 850 2HD PRO 110 HD1 PRO 110 -2.413 -11.291 -11.287 851 H PHE 111 HN PHE 111 -6.477 -8.225 -8.466 852 HA PHE 111 HA PHE 111 -7.347 -10.524 -6.813 853 1HB PHE 111 HB2 PHE 111 -7.533 -8.995 -4.804 854 2HB PHE 111 HB1 PHE 111 -5.896 -9.445 -5.239 855 HD1 PHE 111 HD1 PHE 111 -8.477 -6.730 -5.674 856 HD2 PHE 111 HD2 PHE 111 -4.321 -7.801 -5.716 857 HE1 PHE 111 HE1 PHE 111 -7.835 -4.358 -5.969 858 HE2 PHE 111 HE2 PHE 111 -3.690 -5.433 -6.001 859 HZ PHE 111 HZ PHE 111 -5.456 -3.701 -6.125 860 H THR 112 HN THR 112 -9.405 -10.085 -5.755 861 HA THR 112 HA THR 112 -11.107 -8.234 -7.368 862 HB THR 112 HB THR 112 -12.354 -10.239 -5.560 863 HG1 THR 112 HG1 THR 112 -11.007 -10.944 -7.955 864 1HG2 THR 112 HG21 THR 112 -13.659 -8.767 -7.048 865 2HG2 THR 112 HG23 THR 112 -12.813 -9.432 -8.445 866 3HG2 THR 112 HG22 THR 112 -13.874 -10.463 -7.484 867 H ALA 113 HN ALA 113 -12.484 -6.781 -6.169 868 HA ALA 113 HA ALA 113 -11.432 -5.578 -3.897 869 1HB ALA 113 HB1 ALA 113 -13.481 -4.876 -5.353 870 2HB ALA 113 HB3 ALA 113 -14.424 -5.819 -4.199 871 3HB ALA 113 HB2 ALA 113 -13.482 -4.435 -3.645 872 H ALA 114 HN ALA 114 -13.571 -8.400 -4.019 873 HA ALA 114 HA ALA 114 -13.989 -8.546 -1.182 874 1HB ALA 114 HB3 ALA 114 -14.858 -10.003 -3.385 875 2HB ALA 114 HB2 ALA 114 -13.817 -11.145 -2.535 876 3HB ALA 114 HB1 ALA 114 -15.186 -10.410 -1.701 877 H THR 115 HN THR 115 -11.461 -9.743 -3.342 878 HA THR 115 HA THR 115 -10.068 -11.216 -1.278 879 HB THR 115 HB THR 115 -9.275 -10.168 -3.987 880 HG1 THR 115 HG1 THR 115 -10.053 -12.566 -2.839 881 1HG2 THR 115 HG21 THR 115 -7.570 -11.544 -1.905 882 2HG2 THR 115 HG23 THR 115 -7.169 -11.565 -3.622 883 3HG2 THR 115 HG22 THR 115 -7.226 -10.035 -2.749 884 H LEU 116 HN LEU 116 -9.026 -8.137 -2.951 885 HA LEU 116 HA LEU 116 -7.131 -7.351 -1.061 886 1HB LEU 116 HB2 LEU 116 -8.242 -6.121 -3.206 887 2HB LEU 116 HB1 LEU 116 -9.003 -5.208 -1.909 888 HG LEU 116 HG LEU 116 -6.703 -4.901 -0.888 889 1HD1 LEU 116 HD11 LEU 116 -6.002 -6.450 -3.317 890 2HD1 LEU 116 HD13 LEU 116 -4.977 -5.061 -2.974 891 3HD1 LEU 116 HD12 LEU 116 -5.167 -6.336 -1.772 892 1HD2 LEU 116 HD23 LEU 116 -7.908 -3.197 -2.346 893 2HD2 LEU 116 HD22 LEU 116 -6.156 -3.028 -2.274 894 3HD2 LEU 116 HD21 LEU 116 -6.912 -3.768 -3.683 895 H GLU 117 HN GLU 117 -10.670 -7.105 -0.806 896 HA GLU 117 HA GLU 117 -10.676 -5.582 1.611 897 1HB GLU 117 HB2 GLU 117 -12.678 -5.755 0.228 898 2HB GLU 117 HB1 GLU 117 -12.744 -7.493 0.499 899 1HG GLU 117 HG2 GLU 117 -12.723 -5.619 2.851 900 2HG GLU 117 HG1 GLU 117 -14.225 -5.890 1.970 901 H GLU 118 HN GLU 118 -10.904 -9.076 0.999 902 HA GLU 118 HA GLU 118 -11.240 -10.035 3.595 903 1HB GLU 118 HB2 GLU 118 -11.095 -11.487 1.588 904 2HB GLU 118 HB1 GLU 118 -9.360 -11.177 1.503 905 1HG GLU 118 HG2 GLU 118 -8.931 -12.336 3.514 906 2HG GLU 118 HG1 GLU 118 -10.622 -12.272 4.013 907 H LYS 119 HN LYS 119 -8.046 -9.559 2.035 908 HA LYS 119 HA LYS 119 -6.485 -9.940 4.358 909 1HB LYS 119 HB2 LYS 119 -6.080 -8.369 1.823 910 2HB LYS 119 HB1 LYS 119 -4.886 -8.278 3.117 911 1HG LYS 119 HG2 LYS 119 -4.196 -10.442 2.820 912 2HG LYS 119 HG1 LYS 119 -5.810 -11.004 2.383 913 1HD LYS 119 HD2 LYS 119 -5.592 -9.958 0.167 914 2HD LYS 119 HD1 LYS 119 -3.988 -9.363 0.598 915 1HE LYS 119 HE2 LYS 119 -4.665 -11.898 -0.500 916 2HE LYS 119 HE1 LYS 119 -3.073 -11.326 -0.005 917 1HZ LYS 119 HZ2 LYS 119 -5.083 -12.575 1.789 918 2HZ LYS 119 HZ1 LYS 119 -3.710 -13.352 1.161 919 3HZ LYS 119 HZ3 LYS 119 -3.529 -12.057 2.240 920 H LEU 120 HN LEU 120 -8.191 -7.070 3.204 921 HA LEU 120 HA LEU 120 -7.055 -5.120 4.882 922 1HB LEU 120 HB2 LEU 120 -8.936 -4.938 3.057 923 2HB LEU 120 HB1 LEU 120 -10.027 -5.171 4.423 924 HG LEU 120 HG LEU 120 -8.476 -3.314 5.519 925 1HD1 LEU 120 HD12 LEU 120 -6.957 -3.203 3.556 926 2HD1 LEU 120 HD11 LEU 120 -8.320 -2.713 2.549 927 3HD1 LEU 120 HD13 LEU 120 -7.757 -1.659 3.846 928 1HD2 LEU 120 HD21 LEU 120 -10.700 -2.854 3.518 929 2HD2 LEU 120 HD23 LEU 120 -10.852 -3.012 5.267 930 3HD2 LEU 120 HD22 LEU 120 -10.073 -1.590 4.574 931 H ASN 121 HN ASN 121 -10.228 -6.601 5.624 932 HA ASN 121 HA ASN 121 -10.311 -5.912 8.329 933 1HB ASN 121 HB2 ASN 121 -11.689 -7.764 6.601 934 2HB ASN 121 HB1 ASN 121 -11.409 -8.514 8.172 935 1HD2 ASN 121 HD22 ASN 121 -14.465 -6.092 7.991 936 2HD2 ASN 121 HD21 ASN 121 -13.863 -7.083 6.752 937 H LYS 122 HN LYS 122 -8.211 -8.176 6.802 938 HA LYS 122 HA LYS 122 -7.694 -9.806 9.154 939 1HB LYS 122 HB2 LYS 122 -7.224 -10.266 6.584 940 2HB LYS 122 HB1 LYS 122 -5.679 -9.503 6.961 941 1HG LYS 122 HG2 LYS 122 -5.711 -11.141 9.026 942 2HG LYS 122 HG1 LYS 122 -6.834 -12.059 8.023 943 1HD LYS 122 HD2 LYS 122 -5.111 -11.889 6.152 944 2HD LYS 122 HD1 LYS 122 -3.985 -11.281 7.366 945 1HE LYS 122 HE2 LYS 122 -5.467 -13.914 7.603 946 2HE LYS 122 HE1 LYS 122 -3.820 -13.762 6.994 947 1HZ LYS 122 HZ2 LYS 122 -3.456 -12.472 9.192 948 2HZ LYS 122 HZ1 LYS 122 -4.843 -13.305 9.712 949 3HZ LYS 122 HZ3 LYS 122 -3.473 -14.171 9.211 950 H ILE 123 HN ILE 123 -6.307 -6.882 7.766 951 HA ILE 123 HA ILE 123 -4.112 -6.880 9.743 952 HB ILE 123 HB ILE 123 -4.855 -5.223 7.357 953 1HG1 ILE 123 HG12 ILE 123 -2.176 -6.284 8.289 954 2HG1 ILE 123 HG11 ILE 123 -3.306 -7.252 7.340 955 1HG2 ILE 123 HG22 ILE 123 -3.185 -4.329 9.710 956 2HG2 ILE 123 HG21 ILE 123 -2.868 -3.722 8.087 957 3HG2 ILE 123 HG23 ILE 123 -4.433 -3.431 8.844 958 1HD1 ILE 123 HD13 ILE 123 -2.892 -4.578 6.220 959 2HD1 ILE 123 HD12 ILE 123 -1.404 -5.522 6.300 960 3HD1 ILE 123 HD11 ILE 123 -2.802 -6.151 5.429 961 H PHE 124 HN PHE 124 -7.014 -4.956 8.975 962 HA PHE 124 HA PHE 124 -6.683 -2.975 10.946 963 1HB PHE 124 HB2 PHE 124 -9.073 -4.152 9.573 964 2HB PHE 124 HB1 PHE 124 -9.290 -2.975 10.869 965 HD1 PHE 124 HD2 PHE 124 -7.526 -3.554 7.645 966 HD2 PHE 124 HD1 PHE 124 -8.916 -0.661 10.495 967 HE1 PHE 124 HE2 PHE 124 -6.912 -1.724 6.091 968 HE2 PHE 124 HE1 PHE 124 -8.297 1.169 8.937 969 HZ PHE 124 HZ PHE 124 -7.299 0.625 6.732 970 H GLU 125 HN GLU 125 -7.510 -6.324 11.348 971 HA GLU 125 HA GLU 125 -8.933 -6.168 13.805 972 1HB GLU 125 HB2 GLU 125 -8.205 -8.241 12.283 973 2HB GLU 125 HB1 GLU 125 -6.878 -8.317 13.443 974 1HG GLU 125 HG2 GLU 125 -8.708 -8.157 15.260 975 2HG GLU 125 HG1 GLU 125 -9.839 -8.563 13.968 976 H LYS 126 HN LYS 126 -5.671 -5.454 13.003 977 HA LYS 126 HA LYS 126 -4.814 -5.507 15.848 978 1HB LYS 126 HB2 LYS 126 -3.435 -6.256 13.670 979 2HB LYS 126 HB1 LYS 126 -3.018 -4.543 13.663 980 1HG LYS 126 HG2 LYS 126 -2.241 -4.715 15.997 981 2HG LYS 126 HG1 LYS 126 -2.666 -6.428 16.014 982 1HD LYS 126 HD2 LYS 126 -0.995 -6.974 14.419 983 2HD LYS 126 HD1 LYS 126 -0.769 -5.285 13.960 984 1HE LYS 126 HE2 LYS 126 -0.329 -5.797 16.822 985 2HE LYS 126 HE1 LYS 126 0.801 -6.646 15.769 986 1HZ LYS 126 HZ2 LYS 126 0.952 -4.369 14.592 987 2HZ LYS 126 HZ1 LYS 126 0.349 -3.754 16.056 988 3HZ LYS 126 HZ3 LYS 126 1.811 -4.613 16.037 989 H LEU 127 HN LEU 127 -5.863 -3.372 13.333 990 HA LEU 127 HA LEU 127 -4.837 -0.968 14.706 991 1HB LEU 127 HB2 LEU 127 -5.278 -1.497 12.064 992 2HB LEU 127 HB1 LEU 127 -6.781 -0.673 12.478 993 HG LEU 127 HG LEU 127 -3.988 0.393 13.008 994 1HD1 LEU 127 HD12 LEU 127 -5.540 0.369 10.639 995 2HD1 LEU 127 HD11 LEU 127 -5.640 2.008 11.285 996 3HD1 LEU 127 HD13 LEU 127 -4.066 1.287 10.946 997 1HD2 LEU 127 HD21 LEU 127 -6.768 1.404 13.602 998 2HD2 LEU 127 HD23 LEU 127 -5.376 1.316 14.681 999 3HD2 LEU 127 HD22 LEU 127 -5.422 2.525 13.399 1000 H GLY 128 HN GLY 128 -7.675 -2.930 14.635 1001 1HA GLY 128 HA2 GLY 128 -9.833 -2.610 15.531 1002 2HA GLY 128 HA1 GLY 128 -8.940 -1.832 16.838 1003 H MET 129 HN MET 129 -10.454 -1.196 13.683 1004 HA MET 129 HA MET 129 -10.427 1.712 14.257 1005 1HB MET 129 HB2 MET 129 -10.690 0.026 11.865 1006 2HB MET 129 HB1 MET 129 -11.822 1.378 11.901 1007 1HG MET 129 HG2 MET 129 -8.866 1.706 12.456 1008 2HG MET 129 HG1 MET 129 -9.562 1.884 10.844 1009 1HE MET 129 HE1 MET 129 -7.916 3.848 12.821 1010 2HE MET 129 HE3 MET 129 -8.866 5.111 13.616 1011 3HE MET 129 HE2 MET 129 -8.868 3.469 14.255 Start of MODEL 21 Raw file had 1011 H/Q atoms Start of MODEL 21 1 H ALA 2 HN ALA 2 -15.419 -0.522 9.117 2 HA ALA 2 HA ALA 2 -13.785 0.569 10.393 3 1HB ALA 2 HB2 ALA 2 -12.505 -0.180 7.881 4 2HB ALA 2 HB1 ALA 2 -11.794 1.284 8.557 5 3HB ALA 2 HB3 ALA 2 -11.849 -0.192 9.516 6 H ASP 3 HN ASP 3 -13.122 2.288 7.357 7 HA ASP 3 HA ASP 3 -14.492 4.699 8.425 8 1HB ASP 3 HB2 ASP 3 -11.725 4.362 8.640 9 2HB ASP 3 HB1 ASP 3 -11.930 5.372 7.207 10 H LYS 4 HN LYS 4 -15.490 5.828 6.782 11 HA LYS 4 HA LYS 4 -15.214 4.716 4.064 12 1HB LYS 4 HB2 LYS 4 -17.051 6.946 4.958 13 2HB LYS 4 HB1 LYS 4 -17.219 5.915 3.537 14 1HG LYS 4 HG2 LYS 4 -17.054 4.128 5.688 15 2HG LYS 4 HG1 LYS 4 -18.096 5.429 6.266 16 1HD LYS 4 HD2 LYS 4 -18.452 3.895 3.673 17 2HD LYS 4 HD1 LYS 4 -19.427 3.697 5.129 18 1HE LYS 4 HE2 LYS 4 -19.587 6.403 4.740 19 2HE LYS 4 HE1 LYS 4 -19.520 5.816 3.079 20 1HZ LYS 4 HZ1 LYS 4 -21.284 4.421 4.944 21 2HZ LYS 4 HZ3 LYS 4 -21.771 5.953 4.405 22 3HZ LYS 4 HZ2 LYS 4 -21.475 4.715 3.282 23 H GLU 5 HN GLU 5 -13.168 6.546 5.448 24 HA GLU 5 HA GLU 5 -12.639 8.171 3.074 25 1HB GLU 5 HB2 GLU 5 -14.284 9.468 4.634 26 2HB GLU 5 HB1 GLU 5 -12.864 9.702 5.654 27 1HG GLU 5 HG2 GLU 5 -11.655 10.599 3.630 28 2HG GLU 5 HG1 GLU 5 -13.188 10.537 2.759 29 H LEU 6 HN LEU 6 -11.149 6.089 4.257 30 HA LEU 6 HA LEU 6 -9.063 7.323 5.876 31 1HB LEU 6 HB2 LEU 6 -9.851 4.963 6.211 32 2HB LEU 6 HB1 LEU 6 -9.166 4.559 4.649 33 HG LEU 6 HG LEU 6 -6.925 5.249 5.454 34 1HD1 LEU 6 HD12 LEU 6 -8.550 6.008 7.844 35 2HD1 LEU 6 HD11 LEU 6 -6.936 5.353 8.119 36 3HD1 LEU 6 HD13 LEU 6 -7.143 6.808 7.145 37 1HD2 LEU 6 HD21 LEU 6 -8.561 3.089 6.638 38 2HD2 LEU 6 HD23 LEU 6 -7.023 3.002 5.784 39 3HD2 LEU 6 HD22 LEU 6 -7.063 3.453 7.489 40 H LYS 7 HN LYS 7 -7.315 8.324 4.960 41 HA LYS 7 HA LYS 7 -7.140 8.530 2.086 42 1HB LYS 7 HB2 LYS 7 -5.745 9.682 4.422 43 2HB LYS 7 HB1 LYS 7 -4.826 9.642 2.918 44 1HG LYS 7 HG2 LYS 7 -6.669 10.793 1.755 45 2HG LYS 7 HG1 LYS 7 -7.598 10.827 3.255 46 1HD LYS 7 HD2 LYS 7 -6.420 12.583 4.070 47 2HD LYS 7 HD1 LYS 7 -4.882 11.901 3.543 48 1HE LYS 7 HE2 LYS 7 -6.872 13.272 1.714 49 2HE LYS 7 HE1 LYS 7 -5.423 14.032 2.371 50 1HZ LYS 7 HZ3 LYS 7 -4.284 11.937 1.358 51 2HZ LYS 7 HZ2 LYS 7 -5.662 11.907 0.364 52 3HZ LYS 7 HZ1 LYS 7 -4.650 13.271 0.378 53 H PHE 8 HN PHE 8 -6.121 7.209 0.708 54 HA PHE 8 HA PHE 8 -3.898 5.494 1.723 55 1HB PHE 8 HB2 PHE 8 -5.737 5.074 -0.665 56 2HB PHE 8 HB1 PHE 8 -4.424 4.024 -0.206 57 HD1 PHE 8 HD2 PHE 8 -7.677 5.383 0.952 58 HD2 PHE 8 HD1 PHE 8 -4.733 2.305 1.372 59 HE1 PHE 8 HE2 PHE 8 -9.211 4.119 2.431 60 HE2 PHE 8 HE1 PHE 8 -6.260 1.030 2.863 61 HZ PHE 8 HZ PHE 8 -8.505 1.940 3.389 62 H LEU 9 HN LEU 9 -1.962 5.570 0.571 63 HA LEU 9 HA LEU 9 -1.867 7.547 -1.679 64 1HB LEU 9 HB2 LEU 9 -0.336 8.065 0.190 65 2HB LEU 9 HB1 LEU 9 0.403 6.484 0.028 66 HG LEU 9 HG LEU 9 1.099 7.050 -2.284 67 1HD1 LEU 9 HD11 LEU 9 -0.513 9.486 -1.656 68 2HD1 LEU 9 HD13 LEU 9 0.909 9.674 -2.679 69 3HD1 LEU 9 HD12 LEU 9 -0.392 8.587 -3.166 70 1HD2 LEU 9 HD21 LEU 9 1.853 8.893 -0.032 71 2HD2 LEU 9 HD23 LEU 9 2.748 7.511 -0.663 72 3HD2 LEU 9 HD22 LEU 9 2.637 8.997 -1.606 73 H VAL 10 HN VAL 10 -1.868 6.557 -3.667 74 HA VAL 10 HA VAL 10 -0.838 3.760 -3.844 75 HB VAL 10 HB VAL 10 -2.018 4.967 -6.258 76 1HG1 VAL 10 HG11 VAL 10 -1.552 2.557 -5.992 77 2HG1 VAL 10 HG13 VAL 10 -2.656 2.497 -4.617 78 3HG1 VAL 10 HG12 VAL 10 -3.274 2.852 -6.230 79 1HG2 VAL 10 HG22 VAL 10 -3.563 4.763 -3.666 80 2HG2 VAL 10 HG21 VAL 10 -3.423 6.148 -4.743 81 3HG2 VAL 10 HG23 VAL 10 -4.350 4.740 -5.245 82 H VAL 11 HN VAL 11 1.386 3.893 -4.127 83 HA VAL 11 HA VAL 11 2.440 5.887 -6.010 84 HB VAL 11 HB VAL 11 3.970 3.910 -4.308 85 1HG1 VAL 11 HG11 VAL 11 4.727 5.775 -6.384 86 2HG1 VAL 11 HG13 VAL 11 5.433 6.274 -4.847 87 3HG1 VAL 11 HG12 VAL 11 5.747 4.660 -5.478 88 1HG2 VAL 11 HG22 VAL 11 3.244 6.813 -3.803 89 2HG2 VAL 11 HG21 VAL 11 2.654 5.422 -2.895 90 3HG2 VAL 11 HG23 VAL 11 4.357 5.867 -2.819 91 H ASP 12 HN ASP 12 1.117 4.396 -7.632 92 HA ASP 12 HA ASP 12 2.822 2.116 -8.531 93 1HB ASP 12 HB2 ASP 12 0.025 2.894 -9.408 94 2HB ASP 12 HB1 ASP 12 0.886 1.416 -9.842 95 H ASP 13 HN ASP 13 3.980 2.293 -10.408 96 HA ASP 13 HA ASP 13 3.976 4.872 -11.806 97 1HB ASP 13 HB2 ASP 13 5.768 3.737 -13.204 98 2HB ASP 13 HB1 ASP 13 6.125 3.838 -11.479 99 H PHE 14 HN PHE 14 2.538 1.750 -12.207 100 HA PHE 14 HA PHE 14 2.199 1.655 -15.020 101 1HB PHE 14 HB2 PHE 14 0.751 0.528 -12.666 102 2HB PHE 14 HB1 PHE 14 -0.089 0.508 -14.217 103 HD1 PHE 14 HD2 PHE 14 1.059 -0.546 -16.222 104 HD2 PHE 14 HD1 PHE 14 2.519 -0.990 -12.207 105 HE1 PHE 14 HE2 PHE 14 2.412 -2.500 -16.931 106 HE2 PHE 14 HE1 PHE 14 3.873 -2.943 -12.916 107 HZ PHE 14 HZ PHE 14 3.820 -3.699 -15.277 108 H SER 15 HN SER 15 0.555 2.475 -16.384 109 HA SER 15 HA SER 15 -0.745 4.928 -15.368 110 1HB SER 15 HB2 SER 15 -0.311 3.746 -18.108 111 2HB SER 15 HB1 SER 15 -1.450 5.067 -17.862 112 HG SER 15 HG SER 15 1.230 5.121 -16.938 113 H THR 16 HN THR 16 -1.690 2.227 -14.543 114 HA THR 16 HA THR 16 -4.535 2.672 -15.119 115 HB THR 16 HB THR 16 -4.251 1.277 -16.973 116 HG1 THR 16 HG1 THR 16 -4.461 -0.862 -15.233 117 1HG2 THR 16 HG23 THR 16 -2.135 -0.062 -15.294 118 2HG2 THR 16 HG22 THR 16 -2.774 -0.832 -16.747 119 3HG2 THR 16 HG21 THR 16 -1.957 0.727 -16.861 120 H MET 17 HN MET 17 -2.040 0.672 -13.588 121 HA MET 17 HA MET 17 -3.557 -0.817 -11.784 122 1HB MET 17 HB2 MET 17 -1.045 -0.855 -12.023 123 2HB MET 17 HB1 MET 17 -0.990 0.623 -11.062 124 1HG MET 17 HG2 MET 17 -2.125 -0.530 -9.205 125 2HG MET 17 HG1 MET 17 -2.203 -2.007 -10.164 126 1HE MET 17 HE1 MET 17 -1.198 -1.887 -7.395 127 2HE MET 17 HE3 MET 17 -0.864 -3.419 -8.216 128 3HE MET 17 HE2 MET 17 0.407 -2.607 -7.306 129 NH1 ARG 18 NH1 ARG 18 -0.332 8.330 -12.348 130 NH2 ARG 18 NH2 ARG 18 1.119 7.647 -10.756 131 H ARG 18 HN ARG 18 -2.468 2.559 -11.397 132 HA ARG 18 HA ARG 18 -3.412 3.086 -8.820 133 1HB ARG 18 HB2 ARG 18 -4.148 5.277 -10.539 134 2HB ARG 18 HB1 ARG 18 -2.834 5.186 -9.373 135 1HG ARG 18 HG2 ARG 18 -1.410 4.069 -11.053 136 2HG ARG 18 HG1 ARG 18 -2.733 4.134 -12.220 137 1HD ARG 18 HD2 ARG 18 -2.120 6.206 -12.814 138 2HD ARG 18 HD1 ARG 18 -2.379 6.757 -11.160 139 HE ARG 18 HE ARG 18 0.178 5.407 -11.509 140 1HH1 ARG 18 HH11 ARG 18 -1.090 8.134 -12.971 141 2HH1 ARG 18 HH12 ARG 18 0.070 9.245 -12.323 142 1HH2 ARG 18 HH21 ARG 18 1.473 6.928 -10.158 143 2HH2 ARG 18 HH22 ARG 18 1.521 8.562 -10.731 144 NH1 ARG 19 NH1 ARG 19 -8.188 7.009 -16.924 145 NH2 ARG 19 NH2 ARG 19 -8.959 8.390 -15.309 146 H ARG 19 HN ARG 19 -5.276 3.595 -11.834 147 HA ARG 19 HA ARG 19 -7.705 4.265 -10.586 148 1HB ARG 19 HB2 ARG 19 -7.345 2.745 -13.187 149 2HB ARG 19 HB1 ARG 19 -8.788 3.635 -12.700 150 1HG ARG 19 HG2 ARG 19 -6.754 5.497 -12.375 151 2HG ARG 19 HG1 ARG 19 -6.288 4.637 -13.842 152 1HD ARG 19 HD2 ARG 19 -8.693 4.957 -14.637 153 2HD ARG 19 HD1 ARG 19 -8.889 6.079 -13.290 154 HE ARG 19 HE ARG 19 -6.588 6.933 -14.639 155 1HH1 ARG 19 HH11 ARG 19 -7.627 6.228 -17.202 156 2HH1 ARG 19 HH12 ARG 19 -8.719 7.510 -17.606 157 1HH2 ARG 19 HH21 ARG 19 -8.989 8.668 -14.350 158 2HH2 ARG 19 HH22 ARG 19 -9.490 8.891 -15.993 159 H ILE 20 HN ILE 20 -6.445 1.052 -11.456 160 HA ILE 20 HA ILE 20 -8.731 -0.478 -10.847 161 HB ILE 20 HB ILE 20 -5.790 -0.999 -10.834 162 1HG1 ILE 20 HG12 ILE 20 -8.062 -2.575 -12.053 163 2HG1 ILE 20 HG11 ILE 20 -7.382 -1.146 -12.833 164 1HG2 ILE 20 HG23 ILE 20 -7.861 -2.740 -9.485 165 2HG2 ILE 20 HG22 ILE 20 -6.381 -3.415 -10.163 166 3HG2 ILE 20 HG21 ILE 20 -6.290 -2.229 -8.863 167 1HD1 ILE 20 HD11 ILE 20 -5.481 -3.245 -11.883 168 2HD1 ILE 20 HD13 ILE 20 -6.425 -3.590 -13.332 169 3HD1 ILE 20 HD12 ILE 20 -5.368 -2.180 -13.284 170 H VAL 21 HN VAL 21 -6.042 0.356 -8.618 171 HA VAL 21 HA VAL 21 -7.401 -0.754 -6.336 172 HB VAL 21 HB VAL 21 -5.578 1.226 -5.437 173 1HG1 VAL 21 HG12 VAL 21 -5.346 -1.762 -5.871 174 2HG1 VAL 21 HG11 VAL 21 -4.228 -0.812 -4.893 175 3HG1 VAL 21 HG13 VAL 21 -5.919 -0.957 -4.411 176 1HG2 VAL 21 HG22 VAL 21 -4.572 -0.344 -7.837 177 2HG2 VAL 21 HG21 VAL 21 -4.759 1.407 -7.752 178 3HG2 VAL 21 HG23 VAL 21 -3.562 0.597 -6.744 179 NH1 ARG 22 NH2 ARG 22 -8.230 9.412 -6.319 180 NH2 ARG 22 NH1 ARG 22 -6.893 10.211 -7.957 181 H ARG 22 HN ARG 22 -7.063 2.612 -7.512 182 HA ARG 22 HA ARG 22 -8.337 3.966 -5.420 183 1HB ARG 22 HB2 ARG 22 -7.920 4.406 -8.275 184 2HB ARG 22 HB1 ARG 22 -9.426 5.123 -7.707 185 1HG ARG 22 HG2 ARG 22 -8.286 6.403 -6.028 186 2HG ARG 22 HG1 ARG 22 -6.782 5.518 -6.286 187 1HD ARG 22 HD2 ARG 22 -6.557 6.453 -8.520 188 2HD ARG 22 HD1 ARG 22 -8.132 7.236 -8.388 189 HE ARG 22 HE ARG 22 -5.719 8.020 -6.810 190 1HH1 ARG 22 HH21 ARG 22 -8.501 8.668 -5.707 191 2HH1 ARG 22 HH22 ARG 22 -8.713 10.286 -6.287 192 1HH2 ARG 22 HH11 ARG 22 -6.139 10.079 -8.601 193 2HH2 ARG 22 HH12 ARG 22 -7.376 11.086 -7.925 194 H ASN 23 HN ASN 23 -9.904 2.492 -8.264 195 HA ASN 23 HA ASN 23 -12.595 2.920 -7.462 196 1HB ASN 23 HB2 ASN 23 -11.217 1.821 -9.590 197 2HB ASN 23 HB1 ASN 23 -12.027 0.445 -8.894 198 1HD2 ASN 23 HD22 ASN 23 -15.314 1.598 -9.717 199 2HD2 ASN 23 HD21 ASN 23 -14.437 0.555 -8.707 200 H LEU 24 HN LEU 24 -10.605 0.003 -7.335 201 HA LEU 24 HA LEU 24 -12.182 -1.803 -6.018 202 1HB LEU 24 HB2 LEU 24 -9.728 -2.003 -6.691 203 2HB LEU 24 HB1 LEU 24 -9.348 -1.251 -5.152 204 HG LEU 24 HG LEU 24 -11.208 -3.374 -4.648 205 1HD1 LEU 24 HD12 LEU 24 -8.882 -4.147 -6.430 206 2HD1 LEU 24 HD11 LEU 24 -9.833 -5.296 -5.493 207 3HD1 LEU 24 HD13 LEU 24 -10.598 -4.358 -6.774 208 1HD2 LEU 24 HD21 LEU 24 -8.358 -2.757 -3.930 209 2HD2 LEU 24 HD23 LEU 24 -9.747 -3.043 -2.887 210 3HD2 LEU 24 HD22 LEU 24 -8.938 -4.394 -3.672 211 H LEU 25 HN LEU 25 -10.075 0.479 -4.201 212 HA LEU 25 HA LEU 25 -11.232 -0.083 -1.658 213 1HB LEU 25 HB2 LEU 25 -9.744 2.293 -2.778 214 2HB LEU 25 HB1 LEU 25 -10.402 2.334 -1.144 215 HG LEU 25 HG LEU 25 -8.802 -0.061 -1.950 216 1HD1 LEU 25 HD13 LEU 25 -7.759 2.727 -1.601 217 2HD1 LEU 25 HD12 LEU 25 -6.813 1.385 -0.958 218 3HD1 LEU 25 HD11 LEU 25 -7.196 1.449 -2.679 219 1HD2 LEU 25 HD22 LEU 25 -9.910 0.096 0.264 220 2HD2 LEU 25 HD21 LEU 25 -8.154 0.053 0.427 221 3HD2 LEU 25 HD23 LEU 25 -9.019 1.581 0.596 222 H LYS 26 HN LYS 26 -11.985 2.478 -4.028 223 HA LYS 26 HA LYS 26 -14.010 3.772 -2.599 224 1HB LYS 26 HB2 LYS 26 -13.111 4.546 -4.787 225 2HB LYS 26 HB1 LYS 26 -13.972 3.227 -5.581 226 1HG LYS 26 HG2 LYS 26 -16.085 4.143 -5.088 227 2HG LYS 26 HG1 LYS 26 -15.440 5.175 -3.811 228 1HD LYS 26 HD2 LYS 26 -15.958 6.494 -5.833 229 2HD LYS 26 HD1 LYS 26 -14.227 6.510 -5.491 230 1HE LYS 26 HE2 LYS 26 -15.207 4.321 -7.251 231 2HE LYS 26 HE1 LYS 26 -15.217 5.946 -7.936 232 1HZ LYS 26 HZ2 LYS 26 -12.860 4.773 -6.573 233 2HZ LYS 26 HZ1 LYS 26 -13.111 4.668 -8.250 234 3HZ LYS 26 HZ3 LYS 26 -12.919 6.184 -7.516 235 H GLU 27 HN GLU 27 -14.111 0.726 -4.381 236 HA GLU 27 HA GLU 27 -16.872 0.337 -4.575 237 1HB GLU 27 HB2 GLU 27 -14.662 -1.224 -5.040 238 2HB GLU 27 HB1 GLU 27 -15.402 -2.048 -3.667 239 1HG GLU 27 HG2 GLU 27 -16.775 -1.324 -6.272 240 2HG GLU 27 HG1 GLU 27 -16.315 -2.946 -5.752 241 H LEU 28 HN LEU 28 -14.764 0.087 -1.769 242 HA LEU 28 HA LEU 28 -16.867 -1.042 -0.078 243 1HB LEU 28 HB2 LEU 28 -14.068 -0.040 0.395 244 2HB LEU 28 HB1 LEU 28 -15.141 -0.376 1.756 245 HG LEU 28 HG LEU 28 -15.469 -2.673 0.968 246 1HD1 LEU 28 HD12 LEU 28 -13.864 -1.648 -1.361 247 2HD1 LEU 28 HD11 LEU 28 -13.816 -3.361 -0.946 248 3HD1 LEU 28 HD13 LEU 28 -15.350 -2.599 -1.370 249 1HD2 LEU 28 HD22 LEU 28 -13.480 -2.076 2.404 250 2HD2 LEU 28 HD21 LEU 28 -13.247 -3.521 1.422 251 3HD2 LEU 28 HD23 LEU 28 -12.514 -1.996 0.930 252 H GLY 29 HN GLY 29 -15.040 2.012 0.264 253 1HA GLY 29 HA2 GLY 29 -17.200 3.773 0.183 254 2HA GLY 29 HA1 GLY 29 -17.086 3.219 1.845 255 H PHE 30 HN PHE 30 -14.074 3.395 0.149 256 HA PHE 30 HA PHE 30 -13.291 5.662 1.879 257 1HB PHE 30 HB2 PHE 30 -11.608 4.014 -0.036 258 2HB PHE 30 HB1 PHE 30 -11.005 5.124 1.191 259 HD1 PHE 30 HD2 PHE 30 -11.384 4.593 3.639 260 HD2 PHE 30 HD1 PHE 30 -12.278 1.802 0.513 261 HE1 PHE 30 HE2 PHE 30 -11.436 2.756 5.302 262 HE2 PHE 30 HE1 PHE 30 -12.330 -0.040 2.174 263 HZ PHE 30 HZ PHE 30 -11.908 0.437 4.566 264 H ASN 31 HN ASN 31 -13.114 7.729 1.092 265 HA ASN 31 HA ASN 31 -12.994 8.109 -1.871 266 1HB ASN 31 HB2 ASN 31 -14.912 9.172 0.140 267 2HB ASN 31 HB1 ASN 31 -14.375 10.287 -1.112 268 1HD2 ASN 31 HD22 ASN 31 -15.659 7.975 -3.731 269 2HD2 ASN 31 HD21 ASN 31 -14.158 8.677 -3.360 270 H ASN 32 HN ASN 32 -10.613 8.236 -1.077 271 HA ASN 32 HA ASN 32 -9.742 10.952 -1.181 272 1HB ASN 32 HB2 ASN 32 -10.569 10.278 1.384 273 2HB ASN 32 HB1 ASN 32 -8.834 9.998 1.435 274 1HD2 ASN 32 HD22 ASN 32 -9.889 13.698 1.945 275 2HD2 ASN 32 HD21 ASN 32 -10.677 12.294 2.484 276 H VAL 33 HN VAL 33 -8.143 10.307 -2.613 277 HA VAL 33 HA VAL 33 -5.960 8.622 -1.513 278 HB VAL 33 HB VAL 33 -7.495 8.002 -4.054 279 1HG1 VAL 33 HG12 VAL 33 -4.774 7.340 -3.193 280 2HG1 VAL 33 HG11 VAL 33 -5.738 5.926 -3.601 281 3HG1 VAL 33 HG13 VAL 33 -5.513 7.212 -4.786 282 1HG2 VAL 33 HG22 VAL 33 -7.233 6.665 -1.367 283 2HG2 VAL 33 HG21 VAL 33 -8.701 7.088 -2.242 284 3HG2 VAL 33 HG23 VAL 33 -7.695 5.750 -2.798 285 H GLU 34 HN GLU 34 -3.933 8.994 -2.548 286 HA GLU 34 HA GLU 34 -3.951 11.136 -4.651 287 1HB GLU 34 HB2 GLU 34 -2.328 10.848 -2.166 288 2HB GLU 34 HB1 GLU 34 -1.530 11.504 -3.594 289 1HG GLU 34 HG2 GLU 34 -4.184 12.542 -2.575 290 2HG GLU 34 HG1 GLU 34 -2.639 13.227 -2.074 291 H GLU 35 HN GLU 35 -1.349 10.999 -5.484 292 HA GLU 35 HA GLU 35 -0.731 8.143 -5.951 293 1HB GLU 35 HB2 GLU 35 -1.403 10.076 -8.185 294 2HB GLU 35 HB1 GLU 35 -0.726 8.464 -8.417 295 1HG GLU 35 HG2 GLU 35 -2.725 7.576 -7.104 296 2HG GLU 35 HG1 GLU 35 -3.425 9.189 -7.258 297 H ALA 36 HN ALA 36 1.359 7.778 -6.702 298 HA ALA 36 HA ALA 36 3.136 10.067 -7.247 299 1HB ALA 36 HB1 ALA 36 2.957 8.961 -4.648 300 2HB ALA 36 HB3 ALA 36 4.452 8.336 -5.342 301 3HB ALA 36 HB2 ALA 36 4.181 10.076 -5.245 302 H GLU 37 HN GLU 37 5.344 9.167 -7.967 303 HA GLU 37 HA GLU 37 5.098 6.358 -8.971 304 1HB GLU 37 HB2 GLU 37 6.364 8.388 -10.748 305 2HB GLU 37 HB1 GLU 37 5.469 6.929 -11.167 306 1HG GLU 37 HG2 GLU 37 4.022 8.695 -11.781 307 2HG GLU 37 HG1 GLU 37 3.403 8.155 -10.224 308 H ASP 38 HN ASP 38 6.710 7.491 -6.745 309 HA ASP 38 HA ASP 38 9.145 6.128 -7.196 310 1HB ASP 38 HB2 ASP 38 9.858 7.736 -8.830 311 2HB ASP 38 HB1 ASP 38 9.288 9.084 -7.856 312 H GLY 39 HN GLY 39 10.387 6.119 -5.273 313 1HA GLY 39 HA2 GLY 39 9.116 6.784 -2.873 314 2HA GLY 39 HA1 GLY 39 10.862 6.586 -3.013 315 H VAL 40 HN VAL 40 11.041 8.819 -4.992 316 HA VAL 40 HA VAL 40 11.312 10.978 -3.062 317 HB VAL 40 HB VAL 40 12.601 10.456 -5.368 318 1HG1 VAL 40 HG12 VAL 40 10.417 10.996 -6.629 319 2HG1 VAL 40 HG11 VAL 40 10.719 12.677 -6.186 320 3HG1 VAL 40 HG13 VAL 40 11.878 11.805 -7.184 321 1HG2 VAL 40 HG21 VAL 40 12.033 13.216 -4.241 322 2HG2 VAL 40 HG23 VAL 40 13.278 12.101 -3.676 323 3HG2 VAL 40 HG22 VAL 40 13.393 12.807 -5.288 324 H ASP 41 HN ASP 41 8.926 9.951 -5.396 325 HA ASP 41 HA ASP 41 7.424 12.460 -5.301 326 1HB ASP 41 HB2 ASP 41 7.545 10.609 -7.177 327 2HB ASP 41 HB1 ASP 41 6.283 9.843 -6.223 328 H ALA 42 HN ALA 42 7.180 9.190 -3.923 329 HA ALA 42 HA ALA 42 4.694 9.570 -2.571 330 1HB ALA 42 HB3 ALA 42 6.120 7.405 -2.924 331 2HB ALA 42 HB2 ALA 42 6.909 7.887 -1.424 332 3HB ALA 42 HB1 ALA 42 5.175 7.569 -1.445 333 H LEU 43 HN LEU 43 8.043 10.284 -1.648 334 HA LEU 43 HA LEU 43 7.397 11.054 1.064 335 1HB LEU 43 HB2 LEU 43 9.758 11.215 -0.731 336 2HB LEU 43 HB1 LEU 43 9.693 12.404 0.571 337 HG LEU 43 HG LEU 43 9.154 9.496 1.140 338 1HD1 LEU 43 HD13 LEU 43 11.830 10.867 0.817 339 2HD1 LEU 43 HD12 LEU 43 11.628 9.420 1.805 340 3HD1 LEU 43 HD11 LEU 43 11.283 9.362 0.076 341 1HD2 LEU 43 HD23 LEU 43 8.956 11.726 2.684 342 2HD2 LEU 43 HD22 LEU 43 9.345 10.132 3.331 343 3HD2 LEU 43 HD21 LEU 43 10.636 11.284 2.989 344 H ASN 44 HN ASN 44 7.801 12.853 -1.983 345 HA ASN 44 HA ASN 44 7.474 15.462 -0.855 346 1HB ASN 44 HB2 ASN 44 7.393 14.252 -3.553 347 2HB ASN 44 HB1 ASN 44 6.450 15.732 -3.373 348 1HD2 ASN 44 HD22 ASN 44 10.516 15.948 -2.744 349 2HD2 ASN 44 HD21 ASN 44 9.714 14.482 -2.442 350 H LYS 45 HN LYS 45 5.187 12.948 -1.690 351 HA LYS 45 HA LYS 45 2.894 14.794 -1.433 352 1HB LYS 45 HB2 LYS 45 3.340 12.082 -2.473 353 2HB LYS 45 HB1 LYS 45 1.849 12.241 -1.546 354 1HG LYS 45 HG2 LYS 45 2.620 14.226 -3.691 355 2HG LYS 45 HG1 LYS 45 1.695 12.770 -4.053 356 1HD LYS 45 HD2 LYS 45 -0.197 13.624 -3.157 357 2HD LYS 45 HD1 LYS 45 0.648 14.232 -1.738 358 1HE LYS 45 HE2 LYS 45 0.840 15.577 -4.441 359 2HE LYS 45 HE1 LYS 45 -0.383 16.012 -3.247 360 1HZ LYS 45 HZ3 LYS 45 1.574 16.249 -1.661 361 2HZ LYS 45 HZ2 LYS 45 2.555 16.257 -3.049 362 3HZ LYS 45 HZ1 LYS 45 1.372 17.459 -2.832 363 H LEU 46 HN LEU 46 4.022 11.803 0.216 364 HA LEU 46 HA LEU 46 2.136 11.935 2.322 365 1HB LEU 46 HB2 LEU 46 4.749 10.603 1.919 366 2HB LEU 46 HB1 LEU 46 4.322 10.898 3.596 367 HG LEU 46 HG LEU 46 2.046 9.819 2.088 368 1HD1 LEU 46 HD12 LEU 46 3.986 8.729 0.883 369 2HD1 LEU 46 HD11 LEU 46 4.410 7.986 2.426 370 3HD1 LEU 46 HD13 LEU 46 2.859 7.631 1.671 371 1HD2 LEU 46 HD21 LEU 46 3.598 8.869 4.510 372 2HD2 LEU 46 HD23 LEU 46 2.204 9.950 4.547 373 3HD2 LEU 46 HD22 LEU 46 2.013 8.281 4.008 374 H GLN 47 HN GLN 47 4.851 13.936 1.640 375 HA GLN 47 HA GLN 47 5.580 14.873 4.192 376 1HB GLN 47 HB2 GLN 47 6.235 15.648 1.685 377 2HB GLN 47 HB1 GLN 47 5.111 16.943 2.096 378 1HG GLN 47 HG2 GLN 47 6.393 17.326 4.209 379 2HG GLN 47 HG1 GLN 47 7.565 16.122 3.675 380 1HE2 GLN 47 HE22 GLN 47 9.108 19.182 2.471 381 2HE2 GLN 47 HE21 GLN 47 8.977 18.246 3.880 382 H ALA 48 HN ALA 48 2.661 15.290 2.346 383 HA ALA 48 HA ALA 48 1.431 17.481 3.533 384 1HB ALA 48 HB3 ALA 48 0.369 14.822 2.589 385 2HB ALA 48 HB2 ALA 48 -0.716 16.017 3.300 386 3HB ALA 48 HB1 ALA 48 0.190 16.409 1.838 387 H GLY 49 HN GLY 49 0.669 14.152 4.621 388 1HA GLY 49 HA2 GLY 49 1.200 13.491 6.969 389 2HA GLY 49 HA1 GLY 49 0.884 15.155 7.450 390 H GLY 50 HN GLY 50 -0.759 12.434 5.835 391 1HA GLY 50 HA2 GLY 50 -2.960 12.456 7.670 392 2HA GLY 50 HA1 GLY 50 -3.410 13.320 6.198 393 OH TYR 51 OH TYR 51 -1.348 12.123 -0.466 394 H TYR 51 HN TYR 51 -1.098 10.720 5.992 395 HA TYR 51 HA TYR 51 -3.047 9.201 4.371 396 1HB TYR 51 HB2 TYR 51 -0.054 9.113 4.705 397 2HB TYR 51 HB1 TYR 51 -0.929 7.820 3.883 398 HD1 TYR 51 HD1 TYR 51 -2.356 8.345 1.883 399 HD2 TYR 51 HD2 TYR 51 0.274 11.216 3.683 400 HE1 TYR 51 HE1 TYR 51 -2.549 9.791 -0.115 401 HE2 TYR 51 HE2 TYR 51 0.080 12.667 1.684 402 HH TYR 51 HH TYR 51 -0.565 11.983 -1.003 403 H GLY 52 HN GLY 52 -4.288 8.445 6.220 404 1HA GLY 52 HA2 GLY 52 -3.139 6.933 8.349 405 2HA GLY 52 HA1 GLY 52 -4.811 6.822 7.828 406 H PHE 53 HN PHE 53 -3.010 6.312 5.108 407 HA PHE 53 HA PHE 53 -2.309 3.504 5.580 408 1HB PHE 53 HB2 PHE 53 -4.953 4.139 4.992 409 2HB PHE 53 HB1 PHE 53 -4.270 3.662 3.450 410 HD1 PHE 53 HD2 PHE 53 -5.026 2.564 6.892 411 HD2 PHE 53 HD1 PHE 53 -3.527 1.379 3.056 412 HE1 PHE 53 HE2 PHE 53 -5.313 0.202 7.506 413 HE2 PHE 53 HE1 PHE 53 -3.823 -0.979 3.662 414 HZ PHE 53 HZ PHE 53 -4.695 -1.589 5.904 415 H VAL 54 HN VAL 54 -1.181 2.611 3.727 416 HA VAL 54 HA VAL 54 -0.929 4.339 1.345 417 HB VAL 54 HB VAL 54 1.454 3.642 3.075 418 1HG1 VAL 54 HG11 VAL 54 1.173 4.277 0.227 419 2HG1 VAL 54 HG13 VAL 54 2.257 5.385 1.068 420 3HG1 VAL 54 HG12 VAL 54 2.572 3.650 1.099 421 1HG2 VAL 54 HG23 VAL 54 0.076 6.238 2.342 422 2HG2 VAL 54 HG22 VAL 54 0.314 5.569 3.957 423 3HG2 VAL 54 HG21 VAL 54 1.691 6.170 3.043 424 H ILE 55 HN ILE 55 -0.835 3.116 -0.422 425 HA ILE 55 HA ILE 55 -0.125 0.219 -0.125 426 HB ILE 55 HB ILE 55 -1.529 1.009 -2.576 427 1HG1 ILE 55 HG12 ILE 55 -2.834 1.470 0.124 428 2HG1 ILE 55 HG11 ILE 55 -2.584 2.669 -1.146 429 1HG2 ILE 55 HG23 ILE 55 -1.143 -1.315 -1.578 430 2HG2 ILE 55 HG22 ILE 55 -2.379 -0.900 -0.391 431 3HG2 ILE 55 HG21 ILE 55 -2.789 -0.963 -2.104 432 1HD1 ILE 55 HD11 ILE 55 -3.927 0.761 -2.539 433 2HD1 ILE 55 HD13 ILE 55 -4.630 0.537 -0.938 434 3HD1 ILE 55 HD12 ILE 55 -4.719 2.111 -1.728 435 H SER 56 HN SER 56 1.671 -0.433 -1.236 436 HA SER 56 HA SER 56 2.617 1.221 -3.540 437 1HB SER 56 HB2 SER 56 4.902 1.066 -2.761 438 2HB SER 56 HB1 SER 56 3.927 1.724 -1.452 439 HG SER 56 HG SER 56 3.951 -0.248 -0.457 440 H ASP 57 HN ASP 57 4.120 -0.040 -4.964 441 HA ASP 57 HA ASP 57 3.112 -2.807 -5.198 442 1HB ASP 57 HB2 ASP 57 4.865 -1.149 -7.035 443 2HB ASP 57 HB1 ASP 57 4.247 -2.759 -7.405 444 CH2 TRP 58 CH2 TRP 58 9.171 -7.785 -1.248 445 H TRP 58 HN TRP 58 6.189 -2.339 -6.572 446 HA TRP 58 HA TRP 58 7.783 -3.283 -4.311 447 1HB TRP 58 HB2 TRP 58 6.425 -5.301 -5.139 448 2HB TRP 58 HB1 TRP 58 7.348 -5.188 -6.631 449 HD1 TRP 58 HD1 TRP 58 9.960 -5.734 -6.518 450 HE1 TRP 58 HE1 TRP 58 11.328 -7.140 -4.843 451 HE3 TRP 58 HE3 TRP 58 6.645 -5.964 -2.641 452 HZ2 TRP 58 HZ2 TRP 58 11.048 -8.230 -2.208 453 HZ3 TRP 58 HZ3 TRP 58 7.221 -7.185 -0.565 454 HH2 TRP 58 HH2 TRP 58 9.414 -8.316 -0.338 455 H ASN 59 HN ASN 59 7.495 -3.064 -7.855 456 HA ASN 59 HA ASN 59 10.397 -2.454 -8.049 457 1HB ASN 59 HB2 ASN 59 8.821 -3.958 -9.670 458 2HB ASN 59 HB1 ASN 59 8.684 -2.394 -10.475 459 1HD2 ASN 59 HD22 ASN 59 11.866 -4.442 -11.385 460 2HD2 ASN 59 HD21 ASN 59 10.314 -5.031 -11.035 461 H MET 60 HN MET 60 11.116 -0.385 -8.511 462 HA MET 60 HA MET 60 9.086 1.679 -9.197 463 1HB MET 60 HB2 MET 60 10.870 1.557 -6.791 464 2HB MET 60 HB1 MET 60 10.509 3.134 -7.483 465 1HG MET 60 HG2 MET 60 8.216 1.271 -7.063 466 2HG MET 60 HG1 MET 60 8.934 2.004 -5.632 467 1HE MET 60 HE2 MET 60 6.065 2.163 -7.350 468 2HE MET 60 HE1 MET 60 5.811 3.695 -8.182 469 3HE MET 60 HE3 MET 60 6.895 2.479 -8.871 470 HA PRO 61 HA PRO 61 12.114 3.132 -12.080 471 1HB PRO 61 HB2 PRO 61 11.952 5.911 -11.321 472 2HB PRO 61 HB1 PRO 61 11.246 5.121 -12.737 473 1HG PRO 61 HG2 PRO 61 9.899 6.039 -10.357 474 2HG PRO 61 HG1 PRO 61 9.186 5.321 -11.801 475 1HD PRO 61 HD2 PRO 61 9.407 4.124 -9.233 476 2HD PRO 61 HD1 PRO 61 8.869 3.348 -10.733 477 H ASN 62 HN ASN 62 12.521 3.270 -8.771 478 HA ASN 62 HA ASN 62 15.396 4.021 -9.089 479 1HB ASN 62 HB2 ASN 62 15.330 5.168 -6.916 480 2HB ASN 62 HB1 ASN 62 14.188 5.914 -8.034 481 1HD2 ASN 62 HD21 ASN 62 11.849 5.179 -7.806 482 2HD2 ASN 62 HD22 ASN 62 11.296 4.717 -6.269 483 H MET 63 HN MET 63 16.369 2.068 -8.789 484 HA MET 63 HA MET 63 16.925 0.011 -7.808 485 1HB MET 63 HB2 MET 63 15.900 1.405 -5.313 486 2HB MET 63 HB1 MET 63 16.946 -0.013 -5.352 487 1HG MET 63 HG2 MET 63 18.563 1.422 -6.740 488 2HG MET 63 HG1 MET 63 17.587 2.803 -6.238 489 1HE MET 63 HE1 MET 63 16.845 3.188 -3.913 490 2HE MET 63 HE3 MET 63 18.041 3.275 -2.612 491 3HE MET 63 HE2 MET 63 18.294 4.171 -4.109 492 H ASP 64 HN ASP 64 14.317 0.602 -5.504 493 HA ASP 64 HA ASP 64 12.307 -0.907 -6.930 494 1HB ASP 64 HB2 ASP 64 14.155 -2.331 -5.063 495 2HB ASP 64 HB1 ASP 64 12.442 -2.742 -4.977 496 H GLY 65 HN GLY 65 10.297 -0.901 -5.720 497 1HA GLY 65 HA2 GLY 65 10.134 1.218 -3.784 498 2HA GLY 65 HA1 GLY 65 8.807 0.147 -4.198 499 H LEU 66 HN LEU 66 11.577 -1.595 -3.376 500 HA LEU 66 HA LEU 66 10.382 -2.706 -1.009 501 1HB LEU 66 HB2 LEU 66 12.971 -2.962 -2.457 502 2HB LEU 66 HB1 LEU 66 12.971 -3.443 -0.761 503 HG LEU 66 HG LEU 66 10.929 -4.427 -2.776 504 1HD1 LEU 66 HD12 LEU 66 13.703 -5.178 -2.427 505 2HD1 LEU 66 HD11 LEU 66 12.646 -6.527 -2.015 506 3HD1 LEU 66 HD13 LEU 66 12.531 -5.772 -3.605 507 1HD2 LEU 66 HD23 LEU 66 11.181 -4.615 0.082 508 2HD2 LEU 66 HD22 LEU 66 9.929 -5.295 -0.954 509 3HD2 LEU 66 HD21 LEU 66 11.391 -6.220 -0.612 510 H GLU 67 HN GLU 67 13.220 -0.570 -1.450 511 HA GLU 67 HA GLU 67 13.483 -0.075 1.398 512 1HB GLU 67 HB2 GLU 67 15.415 0.100 -0.116 513 2HB GLU 67 HB1 GLU 67 14.626 1.418 -0.983 514 1HG GLU 67 HG2 GLU 67 14.817 1.785 1.947 515 2HG GLU 67 HG1 GLU 67 16.358 1.795 1.087 516 H LEU 68 HN LEU 68 11.430 1.136 -1.040 517 HA LEU 68 HA LEU 68 11.067 3.831 -0.095 518 1HB LEU 68 HB2 LEU 68 10.279 3.371 -2.287 519 2HB LEU 68 HB1 LEU 68 9.432 1.927 -1.760 520 HG LEU 68 HG LEU 68 7.741 3.225 -0.632 521 1HD1 LEU 68 HD11 LEU 68 9.708 5.430 -1.093 522 2HD1 LEU 68 HD13 LEU 68 7.990 5.832 -1.072 523 3HD1 LEU 68 HD12 LEU 68 8.738 5.076 0.334 524 1HD2 LEU 68 HD21 LEU 68 8.246 3.322 -3.415 525 2HD2 LEU 68 HD23 LEU 68 6.697 3.534 -2.600 526 3HD2 LEU 68 HD22 LEU 68 7.702 4.935 -2.957 527 H LEU 69 HN LEU 69 9.032 0.923 0.302 528 HA LEU 69 HA LEU 69 7.459 2.179 2.390 529 1HB LEU 69 HB2 LEU 69 6.132 0.588 1.527 530 2HB LEU 69 HB1 LEU 69 7.489 -0.333 0.898 531 HG LEU 69 HG LEU 69 7.836 -1.389 3.076 532 1HD1 LEU 69 HD11 LEU 69 6.295 0.823 4.043 533 2HD1 LEU 69 HD13 LEU 69 5.428 -0.662 4.433 534 3HD1 LEU 69 HD12 LEU 69 7.088 -0.443 4.978 535 1HD2 LEU 69 HD23 LEU 69 5.219 -1.473 1.679 536 2HD2 LEU 69 HD22 LEU 69 6.376 -2.751 1.972 537 3HD2 LEU 69 HD21 LEU 69 5.279 -2.245 3.255 538 H LYS 70 HN LYS 70 10.238 -0.008 2.327 539 HA LYS 70 HA LYS 70 10.397 -0.830 4.995 540 1HB LYS 70 HB2 LYS 70 12.082 -1.186 3.032 541 2HB LYS 70 HB1 LYS 70 12.818 0.308 3.604 542 1HG LYS 70 HG2 LYS 70 12.515 -1.084 5.950 543 2HG LYS 70 HG1 LYS 70 12.849 -2.383 4.804 544 1HD LYS 70 HD2 LYS 70 14.790 -0.883 3.973 545 2HD LYS 70 HD1 LYS 70 14.568 -0.006 5.489 546 1HE LYS 70 HE2 LYS 70 14.777 -2.208 6.701 547 2HE LYS 70 HE1 LYS 70 15.212 -2.948 5.160 548 1HZ LYS 70 HZ3 LYS 70 17.018 -1.266 5.000 549 2HZ LYS 70 HZ2 LYS 70 16.662 -0.794 6.593 550 3HZ LYS 70 HZ1 LYS 70 17.208 -2.370 6.274 551 H THR 71 HN THR 71 11.487 2.284 3.630 552 HA THR 71 HA THR 71 12.521 3.512 5.902 553 HB THR 71 HB THR 71 10.712 4.776 3.820 554 HG1 THR 71 HG1 THR 71 12.519 5.029 2.669 555 1HG2 THR 71 HG23 THR 71 12.296 5.843 6.094 556 2HG2 THR 71 HG22 THR 71 12.426 6.724 4.570 557 3HG2 THR 71 HG21 THR 71 10.849 6.494 5.325 558 H ILE 72 HN ILE 72 9.094 3.769 4.882 559 HA ILE 72 HA ILE 72 8.091 5.054 7.151 560 HB ILE 72 HB ILE 72 6.867 2.980 5.330 561 1HG1 ILE 72 HG12 ILE 72 5.763 5.707 5.575 562 2HG1 ILE 72 HG11 ILE 72 7.421 5.647 4.981 563 1HG2 ILE 72 HG22 ILE 72 5.786 4.212 7.835 564 2HG2 ILE 72 HG21 ILE 72 4.691 3.995 6.471 565 3HG2 ILE 72 HG23 ILE 72 5.512 2.601 7.171 566 1HD1 ILE 72 HD12 ILE 72 5.288 3.846 3.836 567 2HD1 ILE 72 HD11 ILE 72 5.524 5.486 3.230 568 3HD1 ILE 72 HD13 ILE 72 6.833 4.310 3.123 569 NH1 ARG 73 NH2 ARG 73 7.404 -2.379 12.827 570 NH2 ARG 73 NH1 ARG 73 5.571 -3.657 12.485 571 H ARG 73 HN ARG 73 8.726 1.583 6.702 572 HA ARG 73 HA ARG 73 7.788 0.985 9.424 573 1HB ARG 73 HB2 ARG 73 8.195 -0.500 7.039 574 2HB ARG 73 HB1 ARG 73 9.309 -1.160 8.231 575 1HG ARG 73 HG2 ARG 73 6.361 -0.703 8.790 576 2HG ARG 73 HG1 ARG 73 7.010 -2.232 8.208 577 1HD ARG 73 HD2 ARG 73 8.605 -2.172 10.204 578 2HD ARG 73 HD1 ARG 73 7.620 -0.851 10.830 579 HE ARG 73 HE ARG 73 6.058 -3.207 10.109 580 1HH1 ARG 73 HH21 ARG 73 8.144 -1.811 12.466 581 2HH1 ARG 73 HH22 ARG 73 7.329 -2.535 13.812 582 1HH2 ARG 73 HH11 ARG 73 4.907 -4.069 11.861 583 2HH2 ARG 73 HH12 ARG 73 5.496 -3.813 13.469 584 H ALA 74 HN ALA 74 10.648 2.109 8.010 585 HA ALA 74 HA ALA 74 12.410 0.866 10.038 586 1HB ALA 74 HB3 ALA 74 13.003 1.308 7.536 587 2HB ALA 74 HB2 ALA 74 13.261 2.972 8.061 588 3HB ALA 74 HB1 ALA 74 14.216 1.667 8.766 589 H ASP 75 HN ASP 75 10.791 3.882 9.358 590 HA ASP 75 HA ASP 75 12.226 5.776 10.784 591 1HB ASP 75 HB2 ASP 75 9.294 5.294 10.423 592 2HB ASP 75 HB1 ASP 75 9.805 6.527 11.576 593 H GLY 76 HN GLY 76 12.068 6.523 13.034 594 1HA GLY 76 HA2 GLY 76 12.612 4.585 14.969 595 2HA GLY 76 HA1 GLY 76 11.997 6.191 15.362 596 H ALA 77 HN ALA 77 9.457 6.216 14.462 597 HA ALA 77 HA ALA 77 8.117 3.736 15.380 598 1HB ALA 77 HB1 ALA 77 8.527 5.486 17.299 599 2HB ALA 77 HB3 ALA 77 7.199 6.357 16.531 600 3HB ALA 77 HB2 ALA 77 6.944 4.723 17.145 601 H MET 78 HN MET 78 6.873 3.338 13.608 602 HA MET 78 HA MET 78 5.006 5.469 12.725 603 1HB MET 78 HB2 MET 78 7.253 4.417 11.164 604 2HB MET 78 HB1 MET 78 5.706 4.257 10.333 605 1HG MET 78 HG2 MET 78 6.608 6.836 11.633 606 2HG MET 78 HG1 MET 78 6.922 6.457 9.940 607 1HE MET 78 HE3 MET 78 4.962 8.469 12.045 608 2HE MET 78 HE2 MET 78 5.500 9.037 10.468 609 3HE MET 78 HE1 MET 78 3.781 9.023 10.851 610 H SER 79 HN SER 79 5.215 2.585 14.015 611 HA SER 79 HA SER 79 3.751 0.844 12.266 612 1HB SER 79 HB2 SER 79 4.391 0.914 15.179 613 2HB SER 79 HB1 SER 79 3.050 -0.109 14.674 614 HG SER 79 HG SER 79 4.695 -0.785 12.972 615 H ALA 80 HN ALA 80 2.803 3.753 13.352 616 HA ALA 80 HA ALA 80 0.050 3.016 14.117 617 1HB ALA 80 HB2 ALA 80 1.692 5.128 14.801 618 2HB ALA 80 HB1 ALA 80 0.610 5.855 13.614 619 3HB ALA 80 HB3 ALA 80 -0.053 5.079 15.052 620 H LEU 81 HN LEU 81 1.814 3.773 11.273 621 HA LEU 81 HA LEU 81 -0.706 4.437 9.829 622 1HB LEU 81 HB2 LEU 81 1.820 5.672 9.762 623 2HB LEU 81 HB1 LEU 81 1.635 4.839 8.218 624 HG LEU 81 HG LEU 81 -0.644 5.863 7.993 625 1HD1 LEU 81 HD12 LEU 81 0.090 6.895 10.669 626 2HD1 LEU 81 HD11 LEU 81 -0.613 8.087 9.579 627 3HD1 LEU 81 HD13 LEU 81 -1.501 6.617 9.967 628 1HD2 LEU 81 HD23 LEU 81 1.886 7.457 8.103 629 2HD2 LEU 81 HD22 LEU 81 0.890 7.030 6.711 630 3HD2 LEU 81 HD21 LEU 81 0.371 8.310 7.808 631 HA PRO 82 HA PRO 82 0.102 0.083 8.584 632 1HB PRO 82 HB2 PRO 82 -2.459 0.087 7.275 633 2HB PRO 82 HB1 PRO 82 -1.982 -0.770 8.734 634 1HG PRO 82 HG2 PRO 82 -3.704 1.506 8.558 635 2HG PRO 82 HG1 PRO 82 -3.145 0.701 10.026 636 1HD PRO 82 HD2 PRO 82 -2.356 3.258 8.968 637 2HD PRO 82 HD1 PRO 82 -1.857 2.505 10.492 638 H VAL 83 HN VAL 83 0.907 -0.715 6.726 639 HA VAL 83 HA VAL 83 0.404 0.733 4.149 640 HB VAL 83 HB VAL 83 2.986 -0.307 5.331 641 1HG1 VAL 83 HG13 VAL 83 2.146 -0.363 2.417 642 2HG1 VAL 83 HG12 VAL 83 3.823 -0.080 2.854 643 3HG1 VAL 83 HG11 VAL 83 3.039 -1.580 3.337 644 1HG2 VAL 83 HG21 VAL 83 2.008 2.217 4.851 645 2HG2 VAL 83 HG23 VAL 83 3.719 1.811 4.963 646 3HG2 VAL 83 HG22 VAL 83 2.942 1.904 3.386 647 H LEU 84 HN LEU 84 -0.659 -0.655 2.789 648 HA LEU 84 HA LEU 84 -0.179 -3.535 3.246 649 1HB LEU 84 HB2 LEU 84 -2.565 -2.864 3.157 650 2HB LEU 84 HB1 LEU 84 -2.313 -2.200 1.555 651 HG LEU 84 HG LEU 84 -2.185 -4.299 0.546 652 1HD1 LEU 84 HD13 LEU 84 -1.394 -5.437 3.243 653 2HD1 LEU 84 HD12 LEU 84 -1.743 -6.424 1.829 654 3HD1 LEU 84 HD11 LEU 84 -0.382 -5.313 1.803 655 1HD2 LEU 84 HD21 LEU 84 -3.873 -4.794 3.013 656 2HD2 LEU 84 HD23 LEU 84 -4.422 -4.026 1.522 657 3HD2 LEU 84 HD22 LEU 84 -3.952 -5.726 1.519 658 H MET 85 HN MET 85 1.511 -4.225 2.110 659 HA MET 85 HA MET 85 2.281 -2.813 -0.337 660 1HB MET 85 HB2 MET 85 4.106 -3.413 1.046 661 2HB MET 85 HB1 MET 85 3.438 -5.016 1.367 662 1HG MET 85 HG2 MET 85 4.152 -5.882 -0.663 663 2HG MET 85 HG1 MET 85 4.067 -4.322 -1.478 664 1HE MET 85 HE1 MET 85 5.259 -2.404 -0.731 665 2HE MET 85 HE3 MET 85 6.962 -2.339 -0.260 666 3HE MET 85 HE2 MET 85 6.513 -2.834 -1.890 667 H VAL 86 HN VAL 86 2.262 -3.817 -2.419 668 HA VAL 86 HA VAL 86 0.896 -6.462 -2.610 669 HB VAL 86 HB VAL 86 -0.911 -5.134 -3.178 670 1HG1 VAL 86 HG13 VAL 86 0.993 -3.127 -4.324 671 2HG1 VAL 86 HG12 VAL 86 -0.760 -2.971 -4.330 672 3HG1 VAL 86 HG11 VAL 86 0.116 -3.005 -2.802 673 1HG2 VAL 86 HG22 VAL 86 -0.403 -6.513 -5.142 674 2HG2 VAL 86 HG21 VAL 86 -1.142 -4.982 -5.607 675 3HG2 VAL 86 HG23 VAL 86 0.582 -5.208 -5.809 676 H THR 87 HN THR 87 1.661 -7.771 -4.335 677 HA THR 87 HA THR 87 3.643 -6.561 -6.181 678 HB THR 87 HB THR 87 4.948 -7.209 -4.175 679 HG1 THR 87 HG1 THR 87 6.223 -8.893 -5.428 680 1HG2 THR 87 HG21 THR 87 3.184 -9.339 -4.062 681 2HG2 THR 87 HG23 THR 87 4.677 -10.088 -4.628 682 3HG2 THR 87 HG22 THR 87 4.663 -9.183 -3.114 683 H ALA 88 HN ALA 88 4.532 -8.376 -7.672 684 HA ALA 88 HA ALA 88 2.272 -10.212 -8.378 685 1HB ALA 88 HB3 ALA 88 3.465 -8.241 -9.933 686 2HB ALA 88 HB2 ALA 88 4.263 -9.719 -10.468 687 3HB ALA 88 HB1 ALA 88 2.506 -9.589 -10.544 688 H GLU 89 HN GLU 89 2.837 -12.376 -8.957 689 HA GLU 89 HA GLU 89 4.064 -14.352 -8.609 690 1HB GLU 89 HB2 GLU 89 5.252 -12.966 -10.564 691 2HB GLU 89 HB1 GLU 89 6.571 -12.918 -9.397 692 1HG GLU 89 HG2 GLU 89 7.024 -14.906 -10.532 693 2HG GLU 89 HG1 GLU 89 6.079 -15.492 -9.162 694 H ALA 90 HN ALA 90 3.832 -14.240 -6.283 695 HA ALA 90 HA ALA 90 5.920 -12.923 -4.700 696 1HB ALA 90 HB2 ALA 90 3.362 -13.406 -4.151 697 2HB ALA 90 HB1 ALA 90 4.031 -14.902 -3.502 698 3HB ALA 90 HB3 ALA 90 4.575 -13.346 -2.872 699 H LYS 91 HN LYS 91 7.865 -13.867 -4.360 700 HA LYS 91 HA LYS 91 8.344 -16.660 -4.983 701 1HB LYS 91 HB2 LYS 91 9.926 -14.374 -4.642 702 2HB LYS 91 HB1 LYS 91 10.382 -15.431 -3.305 703 1HG LYS 91 HG2 LYS 91 10.764 -17.282 -4.887 704 2HG LYS 91 HG1 LYS 91 10.296 -16.237 -6.228 705 1HD LYS 91 HD2 LYS 91 12.462 -15.627 -6.374 706 2HD LYS 91 HD1 LYS 91 12.235 -14.767 -4.850 707 1HE LYS 91 HE2 LYS 91 14.102 -16.239 -4.525 708 2HE LYS 91 HE1 LYS 91 12.741 -16.961 -3.667 709 1HZ LYS 91 HZ3 LYS 91 12.446 -18.029 -6.091 710 2HZ LYS 91 HZ2 LYS 91 14.138 -17.880 -6.034 711 3HZ LYS 91 HZ1 LYS 91 13.318 -18.768 -4.839 712 H LYS 92 HN LYS 92 9.916 -17.635 -2.952 713 HA LYS 92 HA LYS 92 7.914 -17.989 -0.777 714 1HB LYS 92 HB2 LYS 92 9.386 -19.960 -0.164 715 2HB LYS 92 HB1 LYS 92 8.607 -20.072 -1.742 716 1HG LYS 92 HG2 LYS 92 10.673 -19.267 -2.826 717 2HG LYS 92 HG1 LYS 92 11.455 -19.150 -1.250 718 1HD LYS 92 HD2 LYS 92 10.208 -21.761 -1.991 719 2HD LYS 92 HD1 LYS 92 11.729 -21.324 -2.767 720 1HE LYS 92 HE2 LYS 92 11.394 -21.105 0.221 721 2HE LYS 92 HE1 LYS 92 11.850 -22.631 -0.533 722 1HZ LYS 92 HZ2 LYS 92 13.294 -20.153 -1.203 723 2HZ LYS 92 HZ1 LYS 92 13.682 -21.007 0.214 724 3HZ LYS 92 HZ3 LYS 92 13.828 -21.763 -1.298 725 H GLU 93 HN GLU 93 11.324 -17.133 -1.297 726 HA GLU 93 HA GLU 93 11.679 -16.649 1.562 727 1HB GLU 93 HB2 GLU 93 13.416 -17.549 -0.280 728 2HB GLU 93 HB1 GLU 93 13.767 -15.823 -0.381 729 1HG GLU 93 HG2 GLU 93 13.872 -15.899 2.206 730 2HG GLU 93 HG1 GLU 93 13.999 -17.648 2.009 731 H ASN 94 HN ASN 94 10.832 -14.864 -1.269 732 HA ASN 94 HA ASN 94 11.751 -12.287 -0.246 733 1HB ASN 94 HB2 ASN 94 10.146 -13.198 -2.614 734 2HB ASN 94 HB1 ASN 94 10.123 -11.501 -2.156 735 1HD2 ASN 94 HD22 ASN 94 12.966 -11.517 -4.392 736 2HD2 ASN 94 HD21 ASN 94 11.275 -11.366 -4.397 737 H ILE 95 HN ILE 95 8.873 -14.238 0.081 738 HA ILE 95 HA ILE 95 7.102 -12.060 0.727 739 HB ILE 95 HB ILE 95 6.975 -15.033 1.182 740 1HG1 ILE 95 HG12 ILE 95 5.264 -13.043 -0.352 741 2HG1 ILE 95 HG11 ILE 95 6.549 -14.012 -1.065 742 1HG2 ILE 95 HG23 ILE 95 5.141 -12.869 2.249 743 2HG2 ILE 95 HG22 ILE 95 4.587 -14.524 2.001 744 3HG2 ILE 95 HG21 ILE 95 5.881 -14.192 3.147 745 1HD1 ILE 95 HD12 ILE 95 4.988 -15.881 0.276 746 2HD1 ILE 95 HD11 ILE 95 3.811 -14.763 -0.405 747 3HD1 ILE 95 HD13 ILE 95 4.968 -15.569 -1.460 748 H ILE 96 HN ILE 96 9.754 -13.290 2.399 749 HA ILE 96 HA ILE 96 8.650 -12.590 5.072 750 HB ILE 96 HB ILE 96 11.274 -13.745 4.122 751 1HG1 ILE 96 HG12 ILE 96 9.553 -14.543 6.479 752 2HG1 ILE 96 HG11 ILE 96 9.213 -15.121 4.847 753 1HG2 ILE 96 HG22 ILE 96 10.718 -12.178 6.643 754 2HG2 ILE 96 HG21 ILE 96 11.899 -13.483 6.653 755 3HG2 ILE 96 HG23 ILE 96 12.128 -12.103 5.582 756 1HD1 ILE 96 HD12 ILE 96 12.034 -15.359 5.721 757 2HD1 ILE 96 HD11 ILE 96 10.888 -16.400 6.564 758 3HD1 ILE 96 HD13 ILE 96 11.038 -16.493 4.810 759 H ALA 97 HN ALA 97 11.216 -11.623 2.830 760 HA ALA 97 HA ALA 97 12.261 -9.389 4.086 761 1HB ALA 97 HB1 ALA 97 12.211 -10.384 1.442 762 2HB ALA 97 HB3 ALA 97 11.660 -8.711 1.334 763 3HB ALA 97 HB2 ALA 97 13.223 -9.079 2.064 764 H ALA 98 HN ALA 98 9.085 -9.898 2.824 765 HA ALA 98 HA ALA 98 8.146 -7.310 2.449 766 1HB ALA 98 HB2 ALA 98 6.903 -9.847 3.299 767 2HB ALA 98 HB1 ALA 98 5.997 -8.403 3.686 768 3HB ALA 98 HB3 ALA 98 6.426 -8.745 2.015 769 H ALA 99 HN ALA 99 8.055 -9.111 5.582 770 HA ALA 99 HA ALA 99 7.116 -7.023 7.171 771 1HB ALA 99 HB2 ALA 99 9.161 -9.184 7.667 772 2HB ALA 99 HB1 ALA 99 8.853 -7.974 8.912 773 3HB ALA 99 HB3 ALA 99 7.544 -9.013 8.350 774 H GLN 100 HN GLN 100 10.494 -7.524 6.064 775 HA GLN 100 HA GLN 100 11.557 -5.189 7.351 776 1HB GLN 100 HB2 GLN 100 12.442 -6.202 4.635 777 2HB GLN 100 HB1 GLN 100 13.417 -5.387 5.860 778 1HG GLN 100 HG2 GLN 100 12.210 -8.160 6.058 779 2HG GLN 100 HG1 GLN 100 13.924 -7.762 5.939 780 1HE2 GLN 100 HE22 GLN 100 12.306 -7.959 9.562 781 2HE2 GLN 100 HE21 GLN 100 11.649 -8.676 8.172 782 H ALA 101 HN ALA 101 9.833 -5.699 4.323 783 HA ALA 101 HA ALA 101 9.471 -2.732 4.069 784 1HB ALA 101 HB2 ALA 101 10.978 -3.821 2.271 785 2HB ALA 101 HB1 ALA 101 9.493 -4.569 1.682 786 3HB ALA 101 HB3 ALA 101 9.643 -2.812 1.715 787 H GLY 102 HN GLY 102 8.153 -5.587 2.420 788 1HA GLY 102 HA2 GLY 102 5.483 -4.829 2.272 789 2HA GLY 102 HA1 GLY 102 5.984 -6.502 2.349 790 H ALA 103 HN ALA 103 5.294 -3.763 4.040 791 HA ALA 103 HA ALA 103 5.566 -4.558 6.714 792 1HB ALA 103 HB1 ALA 103 4.081 -2.355 5.368 793 2HB ALA 103 HB3 ALA 103 4.280 -2.465 7.116 794 3HB ALA 103 HB2 ALA 103 5.695 -2.305 6.075 795 H SER 104 HN SER 104 2.656 -3.032 6.502 796 HA SER 104 HA SER 104 1.196 -4.580 8.201 797 1HB SER 104 HB2 SER 104 -0.683 -3.435 7.562 798 2HB SER 104 HB1 SER 104 0.535 -2.437 6.783 799 HG SER 104 HG SER 104 -1.169 -3.051 5.363 800 H GLY 105 HN GLY 105 1.017 -5.124 4.657 801 1HA GLY 105 HA2 GLY 105 0.715 -7.992 5.185 802 2HA GLY 105 HA1 GLY 105 -0.706 -7.226 4.514 803 OH TYR 106 OH TYR 106 2.003 -13.907 -2.317 804 H TYR 106 HN TYR 106 0.391 -9.179 3.047 805 HA TYR 106 HA TYR 106 1.567 -7.665 0.769 806 1HB TYR 106 HB2 TYR 106 3.483 -8.875 0.904 807 2HB TYR 106 HB1 TYR 106 2.831 -9.853 2.219 808 HD1 TYR 106 HD1 TYR 106 2.987 -9.534 -1.512 809 HD2 TYR 106 HD2 TYR 106 1.945 -12.042 1.822 810 HE1 TYR 106 HE1 TYR 106 2.704 -11.460 -3.034 811 HE2 TYR 106 HE2 TYR 106 1.665 -13.958 0.297 812 HH TYR 106 HH TYR 106 1.914 -14.700 -1.782 813 H VAL 107 HN VAL 107 0.083 -7.811 -0.792 814 HA VAL 107 HA VAL 107 -1.545 -10.314 -1.015 815 HB VAL 107 HB VAL 107 -2.841 -8.281 -0.415 816 1HG1 VAL 107 HG13 VAL 107 -1.181 -6.770 -1.618 817 2HG1 VAL 107 HG12 VAL 107 -2.028 -7.185 -3.109 818 3HG1 VAL 107 HG11 VAL 107 -2.880 -6.360 -1.811 819 1HG2 VAL 107 HG23 VAL 107 -3.237 -9.482 -3.164 820 2HG2 VAL 107 HG22 VAL 107 -4.074 -9.876 -1.669 821 3HG2 VAL 107 HG21 VAL 107 -4.381 -8.336 -2.466 822 H VAL 108 HN VAL 108 -1.140 -11.456 -2.855 823 HA VAL 108 HA VAL 108 0.742 -10.355 -4.776 824 HB VAL 108 HB VAL 108 0.779 -12.753 -4.191 825 1HG1 VAL 108 HG12 VAL 108 -1.945 -12.601 -4.262 826 2HG1 VAL 108 HG11 VAL 108 -1.617 -13.372 -5.813 827 3HG1 VAL 108 HG13 VAL 108 -1.045 -14.116 -4.320 828 1HG2 VAL 108 HG21 VAL 108 1.511 -11.923 -6.468 829 2HG2 VAL 108 HG23 VAL 108 1.018 -13.615 -6.436 830 3HG2 VAL 108 HG22 VAL 108 -0.077 -12.391 -7.078 831 H LYS 109 HN LYS 109 -0.059 -8.827 -6.204 832 HA LYS 109 HA LYS 109 -2.814 -8.652 -7.000 833 1HB LYS 109 HB2 LYS 109 -1.769 -7.104 -8.816 834 2HB LYS 109 HB1 LYS 109 -1.587 -6.640 -7.134 835 1HG LYS 109 HG2 LYS 109 0.666 -7.146 -7.106 836 2HG LYS 109 HG1 LYS 109 0.496 -8.424 -8.308 837 1HD LYS 109 HD2 LYS 109 0.017 -5.558 -9.085 838 2HD LYS 109 HD1 LYS 109 1.663 -6.184 -8.993 839 1HE LYS 109 HE2 LYS 109 1.394 -7.541 -10.817 840 2HE LYS 109 HE1 LYS 109 -0.296 -7.881 -10.448 841 1HZ LYS 109 HZ3 LYS 109 0.361 -5.143 -11.189 842 2HZ LYS 109 HZ2 LYS 109 0.444 -6.304 -12.427 843 3HZ LYS 109 HZ1 LYS 109 -1.005 -6.074 -11.571 844 HA PRO 110 HA PRO 110 -3.863 -7.768 -8.980 845 1HB PRO 110 HB2 PRO 110 -5.902 -9.236 -10.343 846 2HB PRO 110 HB1 PRO 110 -4.975 -7.859 -10.957 847 1HG PRO 110 HG2 PRO 110 -4.796 -10.552 -11.855 848 2HG PRO 110 HG1 PRO 110 -3.728 -9.215 -12.303 849 1HD PRO 110 HD2 PRO 110 -3.212 -11.456 -10.466 850 2HD PRO 110 HD1 PRO 110 -2.059 -10.332 -11.215 851 H PHE 111 HN PHE 111 -5.890 -7.618 -7.760 852 HA PHE 111 HA PHE 111 -6.799 -10.152 -6.493 853 1HB PHE 111 HB2 PHE 111 -7.035 -8.823 -4.318 854 2HB PHE 111 HB1 PHE 111 -5.426 -9.345 -4.753 855 HD1 PHE 111 HD1 PHE 111 -7.736 -6.390 -5.261 856 HD2 PHE 111 HD2 PHE 111 -3.721 -7.768 -4.605 857 HE1 PHE 111 HE1 PHE 111 -6.938 -4.064 -5.136 858 HE2 PHE 111 HE2 PHE 111 -2.959 -5.441 -4.440 859 HZ PHE 111 HZ PHE 111 -4.551 -3.584 -4.713 860 H THR 112 HN THR 112 -8.916 -9.952 -5.510 861 HA THR 112 HA THR 112 -10.611 -8.020 -7.011 862 HB THR 112 HB THR 112 -11.838 -10.067 -5.233 863 HG1 THR 112 HG1 THR 112 -10.767 -10.825 -7.728 864 1HG2 THR 112 HG23 THR 112 -13.163 -8.575 -6.691 865 2HG2 THR 112 HG22 THR 112 -12.317 -9.214 -8.101 866 3HG2 THR 112 HG21 THR 112 -13.365 -10.267 -7.150 867 H ALA 113 HN ALA 113 -12.053 -6.613 -5.834 868 HA ALA 113 HA ALA 113 -11.046 -5.441 -3.502 869 1HB ALA 113 HB1 ALA 113 -13.087 -4.777 -5.079 870 2HB ALA 113 HB3 ALA 113 -14.027 -5.584 -3.825 871 3HB ALA 113 HB2 ALA 113 -13.017 -4.200 -3.414 872 H ALA 114 HN ALA 114 -13.077 -8.290 -3.834 873 HA ALA 114 HA ALA 114 -13.659 -8.506 -1.006 874 1HB ALA 114 HB1 ALA 114 -14.555 -9.811 -3.270 875 2HB ALA 114 HB3 ALA 114 -13.520 -11.029 -2.525 876 3HB ALA 114 HB2 ALA 114 -14.867 -10.343 -1.618 877 H THR 115 HN THR 115 -11.072 -9.576 -3.139 878 HA THR 115 HA THR 115 -9.787 -11.240 -1.146 879 HB THR 115 HB THR 115 -8.855 -9.987 -3.724 880 HG1 THR 115 HG1 THR 115 -9.899 -11.732 -4.271 881 1HG2 THR 115 HG21 THR 115 -7.293 -11.634 -1.723 882 2HG2 THR 115 HG23 THR 115 -6.803 -11.456 -3.406 883 3HG2 THR 115 HG22 THR 115 -6.870 -10.045 -2.354 884 H LEU 116 HN LEU 116 -8.652 -8.058 -2.539 885 HA LEU 116 HA LEU 116 -6.830 -7.432 -0.525 886 1HB LEU 116 HB2 LEU 116 -7.684 -6.054 -2.612 887 2HB LEU 116 HB1 LEU 116 -8.745 -5.306 -1.427 888 HG LEU 116 HG LEU 116 -6.723 -4.834 -0.001 889 1HD1 LEU 116 HD13 LEU 116 -5.424 -6.237 -2.269 890 2HD1 LEU 116 HD12 LEU 116 -4.618 -4.769 -1.721 891 3HD1 LEU 116 HD11 LEU 116 -4.911 -6.086 -0.589 892 1HD2 LEU 116 HD21 LEU 116 -7.780 -3.184 -1.613 893 2HD2 LEU 116 HD23 LEU 116 -6.085 -2.875 -1.238 894 3HD2 LEU 116 HD22 LEU 116 -6.524 -3.627 -2.768 895 H GLU 117 HN GLU 117 -10.374 -7.008 -0.425 896 HA GLU 117 HA GLU 117 -10.457 -5.728 2.113 897 1HB GLU 117 HB2 GLU 117 -12.401 -5.721 0.651 898 2HB GLU 117 HB1 GLU 117 -12.509 -7.478 0.747 899 1HG GLU 117 HG2 GLU 117 -13.072 -7.404 3.080 900 2HG GLU 117 HG1 GLU 117 -12.683 -5.687 3.180 901 H GLU 118 HN GLU 118 -10.866 -9.158 1.247 902 HA GLU 118 HA GLU 118 -11.319 -10.273 3.752 903 1HB GLU 118 HB2 GLU 118 -11.028 -11.457 1.467 904 2HB GLU 118 HB1 GLU 118 -9.311 -11.511 1.866 905 1HG GLU 118 HG2 GLU 118 -9.993 -13.523 2.786 906 2HG GLU 118 HG1 GLU 118 -10.237 -12.461 4.172 907 H LYS 119 HN LYS 119 -8.192 -9.262 2.389 908 HA LYS 119 HA LYS 119 -6.731 -10.070 4.782 909 1HB LYS 119 HB2 LYS 119 -5.973 -8.380 2.381 910 2HB LYS 119 HB1 LYS 119 -4.854 -8.770 3.687 911 1HG LYS 119 HG2 LYS 119 -5.431 -11.231 3.247 912 2HG LYS 119 HG1 LYS 119 -6.196 -10.675 1.758 913 1HD LYS 119 HD2 LYS 119 -4.018 -9.544 1.164 914 2HD LYS 119 HD1 LYS 119 -3.292 -10.350 2.555 915 1HE LYS 119 HE2 LYS 119 -4.719 -11.817 0.320 916 2HE LYS 119 HE1 LYS 119 -2.972 -11.582 0.380 917 1HZ LYS 119 HZ1 LYS 119 -3.306 -12.559 2.774 918 2HZ LYS 119 HZ3 LYS 119 -4.684 -13.251 2.068 919 3HZ LYS 119 HZ2 LYS 119 -3.146 -13.578 1.425 920 H LEU 120 HN LEU 120 -7.879 -6.995 3.400 921 HA LEU 120 HA LEU 120 -6.813 -5.172 5.219 922 1HB LEU 120 HB2 LEU 120 -8.544 -4.874 3.223 923 2HB LEU 120 HB1 LEU 120 -9.724 -4.945 4.528 924 HG LEU 120 HG LEU 120 -8.411 -3.146 5.716 925 1HD1 LEU 120 HD12 LEU 120 -6.760 -3.445 3.261 926 2HD1 LEU 120 HD11 LEU 120 -7.083 -1.793 3.785 927 3HD1 LEU 120 HD13 LEU 120 -6.296 -2.926 4.878 928 1HD2 LEU 120 HD22 LEU 120 -9.915 -2.835 3.177 929 2HD2 LEU 120 HD21 LEU 120 -10.253 -2.173 4.775 930 3HD2 LEU 120 HD23 LEU 120 -9.042 -1.412 3.744 931 H ASN 121 HN ASN 121 -9.779 -7.116 5.620 932 HA ASN 121 HA ASN 121 -10.615 -6.220 8.123 933 1HB ASN 121 HB2 ASN 121 -10.569 -9.134 7.315 934 2HB ASN 121 HB1 ASN 121 -11.734 -8.323 8.358 935 1HD2 ASN 121 HD22 ASN 121 -13.494 -8.459 5.160 936 2HD2 ASN 121 HD21 ASN 121 -13.112 -9.478 6.464 937 H LYS 122 HN LYS 122 -8.489 -9.043 7.601 938 HA LYS 122 HA LYS 122 -7.794 -9.532 10.263 939 1HB LYS 122 HB2 LYS 122 -6.067 -9.771 7.784 940 2HB LYS 122 HB1 LYS 122 -5.644 -10.455 9.353 941 1HG LYS 122 HG2 LYS 122 -8.330 -11.229 8.751 942 2HG LYS 122 HG1 LYS 122 -7.328 -11.580 7.342 943 1HD LYS 122 HD2 LYS 122 -5.702 -12.745 8.830 944 2HD LYS 122 HD1 LYS 122 -6.789 -12.469 10.191 945 1HE LYS 122 HE2 LYS 122 -8.467 -13.874 9.279 946 2HE LYS 122 HE1 LYS 122 -7.720 -13.867 7.681 947 1HZ LYS 122 HZ3 LYS 122 -5.818 -15.050 8.636 948 2HZ LYS 122 HZ2 LYS 122 -6.611 -15.114 10.137 949 3HZ LYS 122 HZ1 LYS 122 -7.258 -15.933 8.795 950 H ILE 123 HN ILE 123 -6.486 -7.082 8.079 951 HA ILE 123 HA ILE 123 -4.357 -6.281 9.873 952 HB ILE 123 HB ILE 123 -5.631 -5.071 7.429 953 1HG1 ILE 123 HG12 ILE 123 -2.742 -5.760 8.025 954 2HG1 ILE 123 HG11 ILE 123 -3.883 -6.936 7.372 955 1HG2 ILE 123 HG22 ILE 123 -3.792 -3.777 9.432 956 2HG2 ILE 123 HG21 ILE 123 -3.697 -3.337 7.727 957 3HG2 ILE 123 HG23 ILE 123 -5.199 -3.092 8.618 958 1HD1 ILE 123 HD13 ILE 123 -3.522 -4.249 6.057 959 2HD1 ILE 123 HD12 ILE 123 -2.431 -5.587 5.694 960 3HD1 ILE 123 HD11 ILE 123 -4.156 -5.741 5.361 961 H PHE 124 HN PHE 124 -7.647 -5.060 9.236 962 HA PHE 124 HA PHE 124 -7.336 -2.891 11.146 963 1HB PHE 124 HB2 PHE 124 -9.576 -3.966 9.481 964 2HB PHE 124 HB1 PHE 124 -9.951 -2.890 10.829 965 HD1 PHE 124 HD2 PHE 124 -7.650 -3.202 7.906 966 HD2 PHE 124 HD1 PHE 124 -9.771 -0.561 10.539 967 HE1 PHE 124 HE2 PHE 124 -6.919 -1.266 6.547 968 HE2 PHE 124 HE1 PHE 124 -9.032 1.381 9.184 969 HZ PHE 124 HZ PHE 124 -7.611 1.023 7.182 970 H GLU 125 HN GLU 125 -7.558 -6.132 11.636 971 HA GLU 125 HA GLU 125 -9.504 -6.141 13.808 972 1HB GLU 125 HB2 GLU 125 -9.039 -8.233 12.634 973 2HB GLU 125 HB1 GLU 125 -7.327 -8.116 13.043 974 1HG GLU 125 HG2 GLU 125 -7.665 -8.723 15.240 975 2HG GLU 125 HG1 GLU 125 -9.281 -8.018 15.295 976 H LYS 126 HN LYS 126 -6.047 -5.665 13.448 977 HA LYS 126 HA LYS 126 -5.651 -5.549 16.372 978 1HB LYS 126 HB2 LYS 126 -3.978 -6.031 14.113 979 2HB LYS 126 HB1 LYS 126 -3.396 -4.559 14.894 980 1HG LYS 126 HG2 LYS 126 -3.279 -5.711 17.049 981 2HG LYS 126 HG1 LYS 126 -3.942 -7.177 16.324 982 1HD LYS 126 HD2 LYS 126 -1.977 -7.709 15.265 983 2HD LYS 126 HD1 LYS 126 -1.534 -6.019 15.016 984 1HE LYS 126 HE2 LYS 126 -0.187 -7.438 16.753 985 2HE LYS 126 HE1 LYS 126 -0.660 -5.793 17.175 986 1HZ LYS 126 HZ1 LYS 126 -2.289 -8.177 17.842 987 2HZ LYS 126 HZ3 LYS 126 -1.143 -7.512 18.900 988 3HZ LYS 126 HZ2 LYS 126 -2.488 -6.592 18.420 989 H LEU 127 HN LEU 127 -6.174 -3.468 13.633 990 HA LEU 127 HA LEU 127 -5.366 -1.033 15.056 991 1HB LEU 127 HB2 LEU 127 -5.738 -1.724 12.360 992 2HB LEU 127 HB1 LEU 127 -7.064 -0.619 12.712 993 HG LEU 127 HG LEU 127 -5.139 0.658 11.942 994 1HD1 LEU 127 HD12 LEU 127 -6.560 1.195 14.205 995 2HD1 LEU 127 HD11 LEU 127 -4.912 1.245 14.830 996 3HD1 LEU 127 HD13 LEU 127 -5.382 2.298 13.498 997 1HD2 LEU 127 HD22 LEU 127 -3.694 -1.295 13.430 998 2HD2 LEU 127 HD21 LEU 127 -3.043 -0.009 12.415 999 3HD2 LEU 127 HD23 LEU 127 -3.323 0.279 14.131 1000 H GLY 128 HN GLY 128 -8.320 -2.806 14.319 1001 1HA GLY 128 HA2 GLY 128 -10.561 -2.378 14.930 1002 2HA GLY 128 HA1 GLY 128 -9.827 -2.011 16.491 1003 H MET 129 HN MET 129 -10.830 -0.568 13.411 1004 HA MET 129 HA MET 129 -10.508 2.145 14.553 1005 1HB MET 129 HB2 MET 129 -10.937 1.002 11.839 1006 2HB MET 129 HB1 MET 129 -11.625 2.597 12.142 1007 1HG MET 129 HG2 MET 129 -8.784 1.994 12.935 1008 2HG MET 129 HG1 MET 129 -9.169 2.443 11.274 1009 1HE MET 129 HE1 MET 129 -7.869 4.417 11.096 1010 2HE MET 129 HE3 MET 129 -9.470 4.828 10.463 1011 3HE MET 129 HE2 MET 129 -8.582 5.989 11.449 Start of MODEL 22 Raw file had 1011 H/Q atoms Start of MODEL 22 1 H ALA 2 HN ALA 2 -14.595 -0.228 7.495 2 HA ALA 2 HA ALA 2 -12.896 -0.228 9.948 3 1HB ALA 2 HB2 ALA 2 -12.128 -1.941 8.189 4 2HB ALA 2 HB1 ALA 2 -11.753 -0.555 7.165 5 3HB ALA 2 HB3 ALA 2 -10.924 -0.760 8.708 6 H ASP 3 HN ASP 3 -14.392 1.925 9.557 7 HA ASP 3 HA ASP 3 -14.313 4.243 9.170 8 1HB ASP 3 HB2 ASP 3 -11.582 3.423 9.624 9 2HB ASP 3 HB1 ASP 3 -11.608 4.643 8.350 10 H LYS 4 HN LYS 4 -15.269 4.927 7.275 11 HA LYS 4 HA LYS 4 -14.262 3.839 4.725 12 1HB LYS 4 HB2 LYS 4 -16.262 4.894 3.737 13 2HB LYS 4 HB1 LYS 4 -16.667 3.825 5.059 14 1HG LYS 4 HG2 LYS 4 -17.083 5.644 6.545 15 2HG LYS 4 HG1 LYS 4 -16.303 6.798 5.467 16 1HD LYS 4 HD2 LYS 4 -18.708 7.053 5.244 17 2HD LYS 4 HD1 LYS 4 -18.077 6.348 3.759 18 1HE LYS 4 HE2 LYS 4 -19.214 4.410 4.062 19 2HE LYS 4 HE1 LYS 4 -18.831 4.343 5.781 20 1HZ LYS 4 HZ3 LYS 4 -20.749 6.339 4.783 21 2HZ LYS 4 HZ2 LYS 4 -21.255 4.736 5.033 22 3HZ LYS 4 HZ1 LYS 4 -20.629 5.645 6.326 23 H GLU 5 HN GLU 5 -12.722 5.891 6.282 24 HA GLU 5 HA GLU 5 -12.343 7.759 4.009 25 1HB GLU 5 HB2 GLU 5 -13.162 8.529 6.795 26 2HB GLU 5 HB1 GLU 5 -12.126 9.613 5.867 27 1HG GLU 5 HG2 GLU 5 -13.767 9.628 4.031 28 2HG GLU 5 HG1 GLU 5 -14.806 8.535 4.946 29 H LEU 6 HN LEU 6 -10.740 5.552 4.974 30 HA LEU 6 HA LEU 6 -8.544 6.704 6.490 31 1HB LEU 6 HB2 LEU 6 -9.195 4.315 6.685 32 2HB LEU 6 HB1 LEU 6 -8.724 4.067 5.016 33 HG LEU 6 HG LEU 6 -6.401 4.694 5.562 34 1HD1 LEU 6 HD12 LEU 6 -7.679 5.258 8.202 35 2HD1 LEU 6 HD11 LEU 6 -6.027 4.640 8.184 36 3HD1 LEU 6 HD13 LEU 6 -6.413 6.149 7.356 37 1HD2 LEU 6 HD21 LEU 6 -7.852 2.470 6.912 38 2HD2 LEU 6 HD23 LEU 6 -6.553 2.408 5.724 39 3HD2 LEU 6 HD22 LEU 6 -6.191 2.762 7.415 40 H LYS 7 HN LYS 7 -6.564 7.435 5.588 41 HA LYS 7 HA LYS 7 -6.716 8.239 2.788 42 1HB LYS 7 HB2 LYS 7 -4.889 8.753 5.079 43 2HB LYS 7 HB1 LYS 7 -4.221 8.951 3.461 44 1HG LYS 7 HG2 LYS 7 -5.902 10.555 2.865 45 2HG LYS 7 HG1 LYS 7 -6.830 10.214 4.326 46 1HD LYS 7 HD2 LYS 7 -5.534 11.567 5.605 47 2HD LYS 7 HD1 LYS 7 -4.044 10.995 4.852 48 1HE LYS 7 HE2 LYS 7 -4.603 13.441 4.429 49 2HE LYS 7 HE1 LYS 7 -4.315 12.472 2.984 50 1HZ LYS 7 HZ1 LYS 7 -7.022 12.270 3.678 51 2HZ LYS 7 HZ3 LYS 7 -6.607 13.914 3.661 52 3HZ LYS 7 HZ2 LYS 7 -6.338 12.957 2.283 53 H PHE 8 HN PHE 8 -5.846 7.225 1.056 54 HA PHE 8 HA PHE 8 -3.891 5.030 1.530 55 1HB PHE 8 HB2 PHE 8 -6.003 5.344 -0.605 56 2HB PHE 8 HB1 PHE 8 -4.755 4.119 -0.642 57 HD1 PHE 8 HD2 PHE 8 -7.577 5.424 1.349 58 HD2 PHE 8 HD1 PHE 8 -4.991 2.101 0.578 59 HE1 PHE 8 HE2 PHE 8 -8.973 4.002 2.792 60 HE2 PHE 8 HE1 PHE 8 -6.400 0.663 2.043 61 HZ PHE 8 HZ PHE 8 -8.395 1.622 3.154 62 H LEU 9 HN LEU 9 -2.176 4.856 -0.001 63 HA LEU 9 HA LEU 9 -1.910 7.180 -1.870 64 1HB LEU 9 HB2 LEU 9 -0.390 7.551 0.021 65 2HB LEU 9 HB1 LEU 9 0.286 5.937 -0.188 66 HG LEU 9 HG LEU 9 1.142 6.536 -2.404 67 1HD1 LEU 9 HD11 LEU 9 -0.467 9.017 -1.890 68 2HD1 LEU 9 HD13 LEU 9 0.978 9.125 -2.892 69 3HD1 LEU 9 HD12 LEU 9 -0.342 8.056 -3.364 70 1HD2 LEU 9 HD23 LEU 9 1.765 8.453 -0.159 71 2HD2 LEU 9 HD22 LEU 9 2.668 7.019 -0.654 72 3HD2 LEU 9 HD21 LEU 9 2.662 8.455 -1.677 73 H VAL 10 HN VAL 10 -2.129 6.284 -3.861 74 HA VAL 10 HA VAL 10 -1.016 3.568 -4.348 75 HB VAL 10 HB VAL 10 -2.240 4.052 -6.629 76 1HG1 VAL 10 HG12 VAL 10 -3.566 3.504 -3.966 77 2HG1 VAL 10 HG11 VAL 10 -4.421 3.352 -5.500 78 3HG1 VAL 10 HG13 VAL 10 -3.025 2.327 -5.164 79 1HG2 VAL 10 HG21 VAL 10 -2.580 6.476 -6.003 80 2HG2 VAL 10 HG23 VAL 10 -4.062 5.630 -6.451 81 3HG2 VAL 10 HG22 VAL 10 -3.694 5.928 -4.752 82 H VAL 11 HN VAL 11 1.058 3.574 -5.079 83 HA VAL 11 HA VAL 11 1.951 5.812 -6.792 84 HB VAL 11 HB VAL 11 3.600 3.887 -5.146 85 1HG1 VAL 11 HG11 VAL 11 4.240 6.067 -7.083 86 2HG1 VAL 11 HG13 VAL 11 5.231 5.961 -5.630 87 3HG1 VAL 11 HG12 VAL 11 5.126 4.585 -6.726 88 1HG2 VAL 11 HG23 VAL 11 2.190 6.358 -4.504 89 2HG2 VAL 11 HG22 VAL 11 2.998 5.223 -3.423 90 3HG2 VAL 11 HG21 VAL 11 3.921 6.499 -4.211 91 H ASP 12 HN ASP 12 1.760 5.202 -8.902 92 HA ASP 12 HA ASP 12 3.232 2.837 -9.810 93 1HB ASP 12 HB2 ASP 12 0.601 2.406 -9.164 94 2HB ASP 12 HB1 ASP 12 0.478 2.826 -10.873 95 H ASP 13 HN ASP 13 4.223 3.473 -11.660 96 HA ASP 13 HA ASP 13 3.674 5.975 -12.926 97 1HB ASP 13 HB2 ASP 13 5.544 5.521 -14.136 98 2HB ASP 13 HB1 ASP 13 5.721 4.151 -13.040 99 H PHE 14 HN PHE 14 2.446 2.732 -13.489 100 HA PHE 14 HA PHE 14 1.463 2.904 -16.094 101 1HB PHE 14 HB2 PHE 14 1.020 1.237 -13.874 102 2HB PHE 14 HB1 PHE 14 -0.578 1.810 -14.349 103 HD1 PHE 14 HD1 PHE 14 -0.621 2.060 -17.153 104 HD2 PHE 14 HD2 PHE 14 1.512 -0.845 -14.813 105 HE1 PHE 14 HE1 PHE 14 -0.613 0.507 -19.087 106 HE2 PHE 14 HE2 PHE 14 1.519 -2.396 -16.747 107 HZ PHE 14 HZ PHE 14 0.457 -1.721 -18.884 108 H SER 15 HN SER 15 -0.244 3.964 -17.083 109 HA SER 15 HA SER 15 -1.528 6.114 -15.499 110 1HB SER 15 HB2 SER 15 -2.311 6.902 -17.751 111 2HB SER 15 HB1 SER 15 -0.558 6.792 -17.619 112 HG SER 15 HG SER 15 -0.765 4.682 -18.587 113 H THR 16 HN THR 16 -2.262 3.142 -15.429 114 HA THR 16 HA THR 16 -5.182 3.590 -15.686 115 HB THR 16 HB THR 16 -5.578 1.702 -17.051 116 HG1 THR 16 HG1 THR 16 -2.866 1.032 -16.566 117 1HG2 THR 16 HG21 THR 16 -4.562 3.636 -18.265 118 2HG2 THR 16 HG23 THR 16 -2.984 2.868 -18.094 119 3HG2 THR 16 HG22 THR 16 -4.247 2.088 -19.048 120 H MET 17 HN MET 17 -2.469 2.141 -14.177 121 HA MET 17 HA MET 17 -3.852 0.049 -12.739 122 1HB MET 17 HB2 MET 17 -1.422 -0.013 -12.998 123 2HB MET 17 HB1 MET 17 -1.267 1.510 -12.122 124 1HG MET 17 HG2 MET 17 -1.759 0.545 -10.075 125 2HG MET 17 HG1 MET 17 -2.722 -0.744 -10.798 126 1HE MET 17 HE1 MET 17 -0.596 -0.775 -8.517 127 2HE MET 17 HE3 MET 17 -1.297 -2.347 -8.930 128 3HE MET 17 HE2 MET 17 0.451 -2.163 -8.799 129 NH1 ARG 18 NH1 ARG 18 -6.125 9.409 -12.905 130 NH2 ARG 18 NH2 ARG 18 -4.467 10.482 -11.806 131 H ARG 18 HN ARG 18 -3.067 3.440 -12.020 132 HA ARG 18 HA ARG 18 -3.992 3.402 -9.308 133 1HB ARG 18 HB2 ARG 18 -3.260 5.524 -9.364 134 2HB ARG 18 HB1 ARG 18 -2.881 5.290 -11.060 135 1HG ARG 18 HG2 ARG 18 -5.176 6.060 -11.654 136 2HG ARG 18 HG1 ARG 18 -5.493 6.360 -9.939 137 1HD ARG 18 HD2 ARG 18 -4.475 8.351 -10.068 138 2HD ARG 18 HD1 ARG 18 -3.002 7.591 -10.668 139 HE ARG 18 HE ARG 18 -4.010 7.783 -12.970 140 1HH1 ARG 18 HH11 ARG 18 -6.513 8.566 -13.278 141 2HH1 ARG 18 HH12 ARG 18 -6.622 10.272 -13.000 142 1HH2 ARG 18 HH21 ARG 18 -3.584 10.462 -11.338 143 2HH2 ARG 18 HH22 ARG 18 -4.963 11.346 -11.901 144 NH1 ARG 19 NH1 ARG 19 -12.330 4.713 -16.175 145 NH2 ARG 19 NH2 ARG 19 -12.628 2.739 -15.115 146 H ARG 19 HN ARG 19 -5.607 3.907 -12.392 147 HA ARG 19 HA ARG 19 -8.036 4.834 -11.237 148 1HB ARG 19 HB2 ARG 19 -7.312 5.044 -13.675 149 2HB ARG 19 HB1 ARG 19 -7.810 3.363 -13.870 150 1HG ARG 19 HG2 ARG 19 -10.075 4.003 -12.984 151 2HG ARG 19 HG1 ARG 19 -9.555 5.689 -13.016 152 1HD ARG 19 HD2 ARG 19 -10.359 5.684 -15.141 153 2HD ARG 19 HD1 ARG 19 -8.860 4.844 -15.536 154 HE ARG 19 HE ARG 19 -10.095 2.730 -15.462 155 1HH1 ARG 19 HH11 ARG 19 -11.722 5.435 -16.505 156 2HH1 ARG 19 HH12 ARG 19 -13.316 4.781 -16.325 157 1HH2 ARG 19 HH21 ARG 19 -12.249 1.949 -14.633 158 2HH2 ARG 19 HH22 ARG 19 -13.614 2.807 -15.267 159 H ILE 20 HN ILE 20 -6.659 1.689 -11.549 160 HA ILE 20 HA ILE 20 -9.150 0.200 -11.414 161 HB ILE 20 HB ILE 20 -6.232 -0.439 -11.209 162 1HG1 ILE 20 HG12 ILE 20 -8.453 -1.824 -12.726 163 2HG1 ILE 20 HG11 ILE 20 -7.646 -0.383 -13.346 164 1HG2 ILE 20 HG23 ILE 20 -8.492 -2.139 -10.148 165 2HG2 ILE 20 HG22 ILE 20 -7.007 -2.864 -10.762 166 3HG2 ILE 20 HG21 ILE 20 -6.946 -1.768 -9.384 167 1HD1 ILE 20 HD12 ILE 20 -6.170 -2.887 -12.494 168 2HD1 ILE 20 HD11 ILE 20 -6.655 -2.560 -14.158 169 3HD1 ILE 20 HD13 ILE 20 -5.506 -1.494 -13.350 170 H VAL 21 HN VAL 21 -6.654 1.108 -9.032 171 HA VAL 21 HA VAL 21 -8.092 -0.129 -6.833 172 HB VAL 21 HB VAL 21 -6.353 1.752 -5.730 173 1HG1 VAL 21 HG13 VAL 21 -6.005 -1.144 -6.537 174 2HG1 VAL 21 HG12 VAL 21 -4.844 -0.283 -5.527 175 3HG1 VAL 21 HG11 VAL 21 -6.498 -0.522 -4.962 176 1HG2 VAL 21 HG22 VAL 21 -5.604 2.235 -8.076 177 2HG2 VAL 21 HG21 VAL 21 -4.319 1.590 -7.056 178 3HG2 VAL 21 HG23 VAL 21 -5.123 0.545 -8.227 179 NH1 ARG 22 NH1 ARG 22 -7.244 10.218 -7.220 180 NH2 ARG 22 NH2 ARG 22 -8.041 10.382 -9.329 181 H ARG 22 HN ARG 22 -7.857 3.152 -8.150 182 HA ARG 22 HA ARG 22 -9.035 4.670 -6.131 183 1HB ARG 22 HB2 ARG 22 -8.864 4.815 -9.047 184 2HB ARG 22 HB1 ARG 22 -10.323 5.577 -8.416 185 1HG ARG 22 HG2 ARG 22 -8.999 6.952 -6.896 186 2HG ARG 22 HG1 ARG 22 -7.521 6.134 -7.399 187 1HD ARG 22 HD2 ARG 22 -8.108 6.908 -9.784 188 2HD ARG 22 HD1 ARG 22 -9.266 7.995 -9.014 189 HE ARG 22 HE ARG 22 -6.316 8.088 -8.523 190 1HH1 ARG 22 HH11 ARG 22 -6.836 9.671 -6.488 191 2HH1 ARG 22 HH12 ARG 22 -7.449 11.184 -7.067 192 1HH2 ARG 22 HH21 ARG 22 -8.244 9.963 -10.214 193 2HH2 ARG 22 HH22 ARG 22 -8.246 11.349 -9.176 194 H ASN 23 HN ASN 23 -10.772 2.884 -8.685 195 HA ASN 23 HA ASN 23 -13.395 3.335 -7.655 196 1HB ASN 23 HB2 ASN 23 -12.197 2.181 -9.870 197 2HB ASN 23 HB1 ASN 23 -12.945 0.830 -9.064 198 1HD2 ASN 23 HD22 ASN 23 -15.397 3.867 -10.380 199 2HD2 ASN 23 HD21 ASN 23 -13.792 4.222 -9.958 200 H LEU 24 HN LEU 24 -11.362 0.437 -7.647 201 HA LEU 24 HA LEU 24 -12.795 -1.331 -6.125 202 1HB LEU 24 HB2 LEU 24 -10.390 -1.473 -7.068 203 2HB LEU 24 HB1 LEU 24 -9.895 -0.799 -5.527 204 HG LEU 24 HG LEU 24 -11.696 -2.951 -4.962 205 1HD1 LEU 24 HD11 LEU 24 -9.570 -3.634 -7.014 206 2HD1 LEU 24 HD13 LEU 24 -10.407 -4.831 -6.029 207 3HD1 LEU 24 HD12 LEU 24 -11.312 -3.845 -7.177 208 1HD2 LEU 24 HD23 LEU 24 -8.766 -2.413 -4.540 209 2HD2 LEU 24 HD22 LEU 24 -10.044 -2.649 -3.355 210 3HD2 LEU 24 HD21 LEU 24 -9.392 -4.028 -4.233 211 H LEU 25 HN LEU 25 -10.474 0.960 -4.618 212 HA LEU 25 HA LEU 25 -11.290 0.524 -1.933 213 1HB LEU 25 HB2 LEU 25 -9.894 2.718 -3.404 214 2HB LEU 25 HB1 LEU 25 -10.519 3.088 -1.800 215 HG LEU 25 HG LEU 25 -8.963 0.556 -2.180 216 1HD1 LEU 25 HD13 LEU 25 -7.880 3.362 -2.219 217 2HD1 LEU 25 HD12 LEU 25 -6.939 2.066 -1.479 218 3HD1 LEU 25 HD11 LEU 25 -7.388 1.969 -3.181 219 1HD2 LEU 25 HD22 LEU 25 -10.148 1.256 -0.032 220 2HD2 LEU 25 HD21 LEU 25 -8.428 0.905 0.138 221 3HD2 LEU 25 HD23 LEU 25 -8.986 2.576 0.078 222 H LYS 26 HN LYS 26 -12.455 2.936 -4.300 223 HA LYS 26 HA LYS 26 -14.301 4.244 -2.635 224 1HB LYS 26 HB2 LYS 26 -13.675 4.886 -5.004 225 2HB LYS 26 HB1 LYS 26 -14.763 3.613 -5.558 226 1HG LYS 26 HG2 LYS 26 -16.635 4.683 -4.359 227 2HG LYS 26 HG1 LYS 26 -15.551 5.957 -3.802 228 1HD LYS 26 HD2 LYS 26 -15.358 5.608 -6.681 229 2HD LYS 26 HD1 LYS 26 -17.018 5.948 -6.190 230 1HE LYS 26 HE2 LYS 26 -16.280 7.930 -4.959 231 2HE LYS 26 HE1 LYS 26 -14.598 7.575 -5.356 232 1HZ LYS 26 HZ3 LYS 26 -15.984 7.554 -7.746 233 2HZ LYS 26 HZ2 LYS 26 -16.546 8.918 -6.905 234 3HZ LYS 26 HZ1 LYS 26 -14.886 8.728 -7.208 235 H GLU 27 HN GLU 27 -14.561 1.182 -4.365 236 HA GLU 27 HA GLU 27 -17.314 0.709 -4.134 237 1HB GLU 27 HB2 GLU 27 -15.280 -0.726 -5.127 238 2HB GLU 27 HB1 GLU 27 -15.471 -1.569 -3.590 239 1HG GLU 27 HG2 GLU 27 -17.651 -1.085 -5.644 240 2HG GLU 27 HG1 GLU 27 -16.872 -2.629 -5.299 241 H LEU 28 HN LEU 28 -14.812 0.608 -1.684 242 HA LEU 28 HA LEU 28 -16.553 -0.749 0.258 243 1HB LEU 28 HB2 LEU 28 -13.741 0.222 0.186 244 2HB LEU 28 HB1 LEU 28 -14.514 0.153 1.768 245 HG LEU 28 HG LEU 28 -15.112 -2.211 1.375 246 1HD1 LEU 28 HD12 LEU 28 -13.922 -1.576 -1.302 247 2HD1 LEU 28 HD11 LEU 28 -13.738 -3.209 -0.664 248 3HD1 LEU 28 HD13 LEU 28 -15.349 -2.535 -0.912 249 1HD2 LEU 28 HD22 LEU 28 -12.266 -1.277 1.216 250 2HD2 LEU 28 HD21 LEU 28 -13.094 -2.119 2.526 251 3HD2 LEU 28 HD23 LEU 28 -12.597 -3.004 1.083 252 H GLY 29 HN GLY 29 -15.503 2.536 -0.466 253 1HA GLY 29 HA2 GLY 29 -17.371 4.199 0.196 254 2HA GLY 29 HA1 GLY 29 -17.111 3.541 1.800 255 H PHE 30 HN PHE 30 -14.214 3.624 0.059 256 HA PHE 30 HA PHE 30 -13.303 5.858 1.754 257 1HB PHE 30 HB2 PHE 30 -11.847 3.959 -0.113 258 2HB PHE 30 HB1 PHE 30 -11.048 5.264 0.753 259 HD1 PHE 30 HD2 PHE 30 -11.233 5.314 3.289 260 HD2 PHE 30 HD1 PHE 30 -12.291 1.893 0.931 261 HE1 PHE 30 HE2 PHE 30 -11.003 3.864 5.283 262 HE2 PHE 30 HE1 PHE 30 -12.080 0.440 2.936 263 HZ PHE 30 HZ PHE 30 -11.438 1.432 5.113 264 H ASN 31 HN ASN 31 -12.636 7.855 0.939 265 HA ASN 31 HA ASN 31 -12.634 8.262 -2.002 266 1HB ASN 31 HB2 ASN 31 -14.935 8.774 -1.177 267 2HB ASN 31 HB1 ASN 31 -14.245 9.983 -0.094 268 1HD2 ASN 31 HD22 ASN 31 -13.160 11.104 -3.800 269 2HD2 ASN 31 HD21 ASN 31 -12.468 9.772 -3.007 270 H ASN 32 HN ASN 32 -10.605 8.256 0.186 271 HA ASN 32 HA ASN 32 -9.526 11.006 -0.284 272 1HB ASN 32 HB2 ASN 32 -10.451 10.495 2.110 273 2HB ASN 32 HB1 ASN 32 -8.997 9.513 2.280 274 1HD2 ASN 32 HD22 ASN 32 -8.537 13.287 3.107 275 2HD2 ASN 32 HD21 ASN 32 -9.899 12.314 3.388 276 H VAL 33 HN VAL 33 -8.255 10.097 -1.986 277 HA VAL 33 HA VAL 33 -5.952 8.451 -1.022 278 HB VAL 33 HB VAL 33 -7.481 8.051 -3.612 279 1HG1 VAL 33 HG12 VAL 33 -5.134 6.580 -2.387 280 2HG1 VAL 33 HG11 VAL 33 -6.030 6.027 -3.799 281 3HG1 VAL 33 HG13 VAL 33 -5.120 7.535 -3.867 282 1HG2 VAL 33 HG23 VAL 33 -7.723 6.872 -0.916 283 2HG2 VAL 33 HG22 VAL 33 -8.898 6.935 -2.227 284 3HG2 VAL 33 HG21 VAL 33 -7.641 5.699 -2.229 285 H GLU 34 HN GLU 34 -3.983 8.791 -2.244 286 HA GLU 34 HA GLU 34 -4.070 11.127 -4.116 287 1HB GLU 34 HB2 GLU 34 -2.218 10.565 -1.811 288 2HB GLU 34 HB1 GLU 34 -1.665 11.524 -3.184 289 1HG GLU 34 HG2 GLU 34 -4.325 12.248 -2.073 290 2HG GLU 34 HG1 GLU 34 -2.936 12.616 -1.054 291 H GLU 35 HN GLU 35 -1.561 11.039 -5.132 292 HA GLU 35 HA GLU 35 -0.929 8.234 -5.776 293 1HB GLU 35 HB2 GLU 35 -2.730 8.970 -7.379 294 2HB GLU 35 HB1 GLU 35 -1.617 10.204 -7.969 295 1HG GLU 35 HG2 GLU 35 -0.193 7.738 -7.931 296 2HG GLU 35 HG1 GLU 35 -1.749 7.434 -8.700 297 H ALA 36 HN ALA 36 1.150 7.960 -6.616 298 HA ALA 36 HA ALA 36 2.826 10.433 -6.834 299 1HB ALA 36 HB1 ALA 36 2.990 8.548 -4.787 300 2HB ALA 36 HB3 ALA 36 4.281 8.086 -5.895 301 3HB ALA 36 HB2 ALA 36 4.235 9.716 -5.222 302 H GLU 37 HN GLU 37 4.896 9.926 -8.098 303 HA GLU 37 HA GLU 37 4.127 8.257 -10.422 304 1HB GLU 37 HB2 GLU 37 6.494 10.117 -10.093 305 2HB GLU 37 HB1 GLU 37 5.919 9.402 -11.599 306 1HG GLU 37 HG2 GLU 37 4.279 11.253 -9.844 307 2HG GLU 37 HG1 GLU 37 5.145 11.759 -11.295 308 H ASP 38 HN ASP 38 5.860 7.753 -7.596 309 HA ASP 38 HA ASP 38 6.823 5.214 -8.276 310 1HB ASP 38 HB2 ASP 38 9.376 5.956 -8.368 311 2HB ASP 38 HB1 ASP 38 8.413 5.860 -9.839 312 H GLY 39 HN GLY 39 8.715 4.544 -6.740 313 1HA GLY 39 HA2 GLY 39 7.981 5.036 -4.077 314 2HA GLY 39 HA1 GLY 39 9.571 4.440 -4.557 315 H VAL 40 HN VAL 40 10.629 6.585 -5.935 316 HA VAL 40 HA VAL 40 11.588 8.283 -3.897 317 HB VAL 40 HB VAL 40 11.413 8.598 -6.894 318 1HG1 VAL 40 HG11 VAL 40 12.337 10.579 -4.819 319 2HG1 VAL 40 HG13 VAL 40 13.059 10.557 -6.427 320 3HG1 VAL 40 HG12 VAL 40 11.332 10.860 -6.240 321 1HG2 VAL 40 HG22 VAL 40 13.058 7.071 -5.449 322 2HG2 VAL 40 HG21 VAL 40 13.630 7.929 -6.880 323 3HG2 VAL 40 HG23 VAL 40 13.930 8.594 -5.275 324 H ASP 41 HN ASP 41 8.910 8.730 -6.160 325 HA ASP 41 HA ASP 41 8.182 11.369 -5.305 326 1HB ASP 41 HB2 ASP 41 7.392 10.080 -7.385 327 2HB ASP 41 HB1 ASP 41 6.252 9.274 -6.315 328 H ALA 42 HN ALA 42 6.914 8.156 -4.408 329 HA ALA 42 HA ALA 42 5.024 8.976 -2.486 330 1HB ALA 42 HB3 ALA 42 6.077 6.541 -3.331 331 2HB ALA 42 HB2 ALA 42 6.537 6.624 -1.631 332 3HB ALA 42 HB1 ALA 42 4.841 6.754 -2.089 333 H LEU 43 HN LEU 43 8.478 8.207 -1.998 334 HA LEU 43 HA LEU 43 8.633 8.691 0.763 335 1HB LEU 43 HB2 LEU 43 10.452 7.939 -0.996 336 2HB LEU 43 HB1 LEU 43 10.832 9.661 -1.033 337 HG LEU 43 HG LEU 43 10.714 9.339 1.626 338 1HD1 LEU 43 HD12 LEU 43 10.146 6.903 1.339 339 2HD1 LEU 43 HD11 LEU 43 11.739 6.669 0.620 340 3HD1 LEU 43 HD13 LEU 43 11.597 7.185 2.299 341 1HD2 LEU 43 HD23 LEU 43 12.997 8.760 -0.272 342 2HD2 LEU 43 HD22 LEU 43 12.656 10.258 0.593 343 3HD2 LEU 43 HD21 LEU 43 13.232 8.843 1.474 344 H ASN 44 HN ASN 44 8.609 11.009 -1.915 345 HA ASN 44 HA ASN 44 9.167 13.272 -0.149 346 1HB ASN 44 HB2 ASN 44 8.552 12.910 -3.054 347 2HB ASN 44 HB1 ASN 44 8.317 14.505 -2.338 348 1HD2 ASN 44 HD22 ASN 44 12.137 12.958 -2.385 349 2HD2 ASN 44 HD21 ASN 44 10.819 11.891 -2.326 350 H LYS 45 HN LYS 45 6.290 11.770 -1.545 351 HA LYS 45 HA LYS 45 4.581 13.945 -0.513 352 1HB LYS 45 HB2 LYS 45 4.306 12.464 -2.719 353 2HB LYS 45 HB1 LYS 45 3.424 11.419 -1.605 354 1HG LYS 45 HG2 LYS 45 2.003 13.326 -0.936 355 2HG LYS 45 HG1 LYS 45 2.879 14.371 -2.056 356 1HD LYS 45 HD2 LYS 45 1.879 11.899 -3.296 357 2HD LYS 45 HD1 LYS 45 0.601 12.949 -2.682 358 1HE LYS 45 HE2 LYS 45 2.867 13.976 -4.403 359 2HE LYS 45 HE1 LYS 45 1.341 13.409 -5.078 360 1HZ LYS 45 HZ1 LYS 45 0.712 15.124 -2.992 361 2HZ LYS 45 HZ3 LYS 45 1.928 15.896 -3.886 362 3HZ LYS 45 HZ2 LYS 45 0.499 15.395 -4.656 363 H LEU 46 HN LEU 46 5.842 10.998 0.655 364 HA LEU 46 HA LEU 46 3.652 10.091 2.262 365 1HB LEU 46 HB2 LEU 46 6.422 9.423 1.909 366 2HB LEU 46 HB1 LEU 46 6.111 9.596 3.633 367 HG LEU 46 HG LEU 46 5.715 7.275 2.871 368 1HD1 LEU 46 HD12 LEU 46 3.899 8.941 4.314 369 2HD1 LEU 46 HD11 LEU 46 2.951 7.795 3.366 370 3HD1 LEU 46 HD13 LEU 46 4.171 7.209 4.495 371 1HD2 LEU 46 HD22 LEU 46 4.505 8.572 0.655 372 2HD2 LEU 46 HD21 LEU 46 4.649 6.836 0.934 373 3HD2 LEU 46 HD23 LEU 46 3.221 7.703 1.497 374 H GLN 47 HN GLN 47 5.782 12.794 2.560 375 HA GLN 47 HA GLN 47 5.390 13.138 5.435 376 1HB GLN 47 HB2 GLN 47 7.409 14.022 4.330 377 2HB GLN 47 HB1 GLN 47 6.406 15.073 3.330 378 1HG GLN 47 HG2 GLN 47 6.038 16.552 5.024 379 2HG GLN 47 HG1 GLN 47 5.915 15.279 6.238 380 1HE2 GLN 47 HE22 GLN 47 9.390 17.257 5.825 381 2HE2 GLN 47 HE21 GLN 47 7.961 17.741 5.046 382 H ALA 48 HN ALA 48 3.315 13.381 2.907 383 HA ALA 48 HA ALA 48 2.008 15.816 3.001 384 1HB ALA 48 HB1 ALA 48 1.334 13.857 1.590 385 2HB ALA 48 HB3 ALA 48 0.610 13.126 3.023 386 3HB ALA 48 HB2 ALA 48 -0.031 14.641 2.385 387 H GLY 49 HN GLY 49 0.597 13.116 4.854 388 1HA GLY 49 HA2 GLY 49 0.593 14.762 7.306 389 2HA GLY 49 HA1 GLY 49 -0.992 14.409 6.619 390 H GLY 50 HN GLY 50 1.252 11.927 6.013 391 1HA GLY 50 HA2 GLY 50 1.763 9.951 7.287 392 2HA GLY 50 HA1 GLY 50 0.597 10.464 8.506 393 OH TYR 51 OH TYR 51 -0.932 11.743 -0.242 394 H TYR 51 HN TYR 51 0.871 9.149 5.233 395 HA TYR 51 HA TYR 51 -1.888 8.691 4.761 396 1HB TYR 51 HB2 TYR 51 0.644 7.399 3.776 397 2HB TYR 51 HB1 TYR 51 -0.926 6.751 3.313 398 HD1 TYR 51 HD2 TYR 51 -2.545 8.138 2.041 399 HD2 TYR 51 HD1 TYR 51 1.416 9.512 2.954 400 HE1 TYR 51 HE2 TYR 51 -2.779 9.938 0.352 401 HE2 TYR 51 HE1 TYR 51 1.187 11.310 1.264 402 HH TYR 51 HH TYR 51 -0.351 12.464 0.016 403 H GLY 52 HN GLY 52 -3.053 7.728 6.402 404 1HA GLY 52 HA2 GLY 52 -2.189 5.753 8.192 405 2HA GLY 52 HA1 GLY 52 -3.857 5.929 7.678 406 H PHE 53 HN PHE 53 -2.564 5.539 4.824 407 HA PHE 53 HA PHE 53 -1.997 2.645 4.927 408 1HB PHE 53 HB2 PHE 53 -4.613 3.568 4.609 409 2HB PHE 53 HB1 PHE 53 -4.086 3.199 2.972 410 HD1 PHE 53 HD2 PHE 53 -4.346 1.784 6.413 411 HD2 PHE 53 HD1 PHE 53 -3.898 0.959 2.239 412 HE1 PHE 53 HE2 PHE 53 -4.713 -0.614 6.847 413 HE2 PHE 53 HE1 PHE 53 -4.294 -1.425 2.653 414 HZ PHE 53 HZ PHE 53 -4.674 -2.239 4.964 415 H VAL 54 HN VAL 54 -0.596 2.111 3.251 416 HA VAL 54 HA VAL 54 -0.430 4.025 0.947 417 HB VAL 54 HB VAL 54 1.893 2.849 2.492 418 1HG1 VAL 54 HG12 VAL 54 1.639 3.983 -0.235 419 2HG1 VAL 54 HG11 VAL 54 2.967 4.629 0.729 420 3HG1 VAL 54 HG13 VAL 54 2.863 2.896 0.419 421 1HG2 VAL 54 HG21 VAL 54 0.942 5.698 2.045 422 2HG2 VAL 54 HG23 VAL 54 0.883 4.810 3.567 423 3HG2 VAL 54 HG22 VAL 54 2.438 5.252 2.865 424 H ILE 55 HN ILE 55 -0.878 2.952 -0.860 425 HA ILE 55 HA ILE 55 -0.288 0.031 -1.010 426 HB ILE 55 HB ILE 55 -2.051 1.777 -2.761 427 1HG1 ILE 55 HG12 ILE 55 -2.944 -0.406 -0.880 428 2HG1 ILE 55 HG11 ILE 55 -2.741 1.252 -0.313 429 1HG2 ILE 55 HG22 ILE 55 -1.002 -0.945 -3.022 430 2HG2 ILE 55 HG21 ILE 55 -2.762 -0.885 -3.093 431 3HG2 ILE 55 HG23 ILE 55 -1.801 0.068 -4.223 432 1HD1 ILE 55 HD13 ILE 55 -4.368 0.647 -2.778 433 2HD1 ILE 55 HD12 ILE 55 -5.085 0.540 -1.171 434 3HD1 ILE 55 HD11 ILE 55 -4.428 2.073 -1.743 435 H SER 56 HN SER 56 1.544 -0.492 -2.090 436 HA SER 56 HA SER 56 2.303 1.100 -4.490 437 1HB SER 56 HB2 SER 56 4.488 1.518 -3.757 438 2HB SER 56 HB1 SER 56 3.554 1.772 -2.287 439 HG SER 56 HG SER 56 5.471 -0.036 -2.794 440 H ASP 57 HN ASP 57 3.320 -0.166 -6.084 441 HA ASP 57 HA ASP 57 2.821 -2.970 -6.053 442 1HB ASP 57 HB2 ASP 57 4.479 -2.980 -8.012 443 2HB ASP 57 HB1 ASP 57 3.077 -1.924 -8.185 444 CH2 TRP 58 CH2 TRP 58 9.513 -6.968 -0.738 445 H TRP 58 HN TRP 58 6.021 -2.660 -7.035 446 HA TRP 58 HA TRP 58 7.424 -2.988 -4.544 447 1HB TRP 58 HB2 TRP 58 6.183 -5.121 -4.465 448 2HB TRP 58 HB1 TRP 58 6.759 -5.530 -6.077 449 HD1 TRP 58 HD1 TRP 58 9.542 -5.687 -6.297 450 HE1 TRP 58 HE1 TRP 58 11.211 -6.693 -4.612 451 HE3 TRP 58 HE3 TRP 58 6.682 -5.608 -2.067 452 HZ2 TRP 58 HZ2 TRP 58 11.320 -7.380 -1.836 453 HZ3 TRP 58 HZ3 TRP 58 7.593 -6.446 0.078 454 HH2 TRP 58 HH2 TRP 58 9.902 -7.334 0.202 455 H ASN 59 HN ASN 59 7.215 -3.595 -8.007 456 HA ASN 59 HA ASN 59 10.171 -3.560 -8.244 457 1HB ASN 59 HB2 ASN 59 8.234 -3.756 -10.545 458 2HB ASN 59 HB1 ASN 59 9.882 -4.374 -10.437 459 1HD2 ASN 59 HD22 ASN 59 6.826 -6.722 -9.275 460 2HD2 ASN 59 HD21 ASN 59 6.588 -5.234 -10.058 461 H MET 60 HN MET 60 9.585 -1.160 -7.344 462 HA MET 60 HA MET 60 8.573 0.847 -8.979 463 1HB MET 60 HB2 MET 60 9.425 2.203 -7.363 464 2HB MET 60 HB1 MET 60 10.013 0.730 -6.606 465 1HG MET 60 HG2 MET 60 12.133 0.958 -7.951 466 2HG MET 60 HG1 MET 60 11.550 2.530 -8.501 467 1HE MET 60 HE2 MET 60 10.489 4.210 -6.788 468 2HE MET 60 HE1 MET 60 11.633 4.840 -5.607 469 3HE MET 60 HE3 MET 60 12.105 4.681 -7.304 470 HA PRO 61 HA PRO 61 11.070 1.141 -12.589 471 1HB PRO 61 HB2 PRO 61 11.799 3.916 -12.348 472 2HB PRO 61 HB1 PRO 61 10.564 3.198 -13.392 473 1HG PRO 61 HG2 PRO 61 10.175 4.745 -10.969 474 2HG PRO 61 HG1 PRO 61 8.946 4.108 -12.071 475 1HD PRO 61 HD2 PRO 61 9.524 3.182 -9.444 476 2HD PRO 61 HD1 PRO 61 8.432 2.434 -10.626 477 H ASN 62 HN ASN 62 12.483 3.077 -9.917 478 HA ASN 62 HA ASN 62 15.202 2.515 -10.819 479 1HB ASN 62 HB2 ASN 62 13.997 3.909 -8.440 480 2HB ASN 62 HB1 ASN 62 15.719 3.534 -8.477 481 1HD2 ASN 62 HD22 ASN 62 14.686 5.765 -11.732 482 2HD2 ASN 62 HD21 ASN 62 13.960 4.256 -11.456 483 H MET 63 HN MET 63 14.675 2.187 -7.418 484 HA MET 63 HA MET 63 15.734 -0.570 -7.550 485 1HB MET 63 HB2 MET 63 15.168 1.218 -5.166 486 2HB MET 63 HB1 MET 63 16.004 -0.334 -5.110 487 1HG MET 63 HG2 MET 63 17.112 1.541 -7.090 488 2HG MET 63 HG1 MET 63 17.247 2.101 -5.424 489 1HE MET 63 HE1 MET 63 19.615 1.567 -7.299 490 2HE MET 63 HE3 MET 63 19.891 2.028 -5.613 491 3HE MET 63 HE2 MET 63 20.761 0.664 -6.311 492 H ASP 64 HN ASP 64 13.925 -0.074 -4.744 493 HA ASP 64 HA ASP 64 11.459 -1.291 -5.874 494 1HB ASP 64 HB2 ASP 64 11.613 -2.880 -3.773 495 2HB ASP 64 HB1 ASP 64 12.469 -3.300 -5.257 496 H GLY 65 HN GLY 65 9.967 -1.699 -3.701 497 1HA GLY 65 HA2 GLY 65 9.794 1.005 -2.512 498 2HA GLY 65 HA1 GLY 65 8.533 -0.217 -2.444 499 H LEU 66 HN LEU 66 11.623 -1.480 -1.718 500 HA LEU 66 HA LEU 66 10.841 -2.042 1.011 501 1HB LEU 66 HB2 LEU 66 12.760 -3.047 -0.751 502 2HB LEU 66 HB1 LEU 66 13.714 -2.248 0.497 503 HG LEU 66 HG LEU 66 13.339 -4.555 1.162 504 1HD1 LEU 66 HD12 LEU 66 12.810 -2.388 2.743 505 2HD1 LEU 66 HD11 LEU 66 11.317 -3.309 2.919 506 3HD1 LEU 66 HD13 LEU 66 12.864 -4.050 3.328 507 1HD2 LEU 66 HD21 LEU 66 10.799 -4.126 -0.064 508 2HD2 LEU 66 HD23 LEU 66 11.453 -5.630 0.581 509 3HD2 LEU 66 HD22 LEU 66 10.511 -4.562 1.621 510 H GLU 67 HN GLU 67 13.633 -0.151 -0.229 511 HA GLU 67 HA GLU 67 14.336 1.115 2.166 512 1HB GLU 67 HB2 GLU 67 15.708 1.477 0.220 513 2HB GLU 67 HB1 GLU 67 14.357 2.178 -0.672 514 1HG GLU 67 HG2 GLU 67 14.352 4.143 0.655 515 2HG GLU 67 HG1 GLU 67 15.348 3.398 1.906 516 H LEU 68 HN LEU 68 11.751 1.885 -0.103 517 HA LEU 68 HA LEU 68 10.881 4.354 0.988 518 1HB LEU 68 HB2 LEU 68 10.065 3.240 -1.142 519 2HB LEU 68 HB1 LEU 68 9.112 2.161 -0.132 520 HG LEU 68 HG LEU 68 8.237 4.415 0.929 521 1HD1 LEU 68 HD13 LEU 68 9.964 5.539 -0.808 522 2HD1 LEU 68 HD12 LEU 68 8.547 5.433 -1.849 523 3HD1 LEU 68 HD11 LEU 68 8.460 6.325 -0.332 524 1HD2 LEU 68 HD23 LEU 68 7.411 3.365 -1.799 525 2HD2 LEU 68 HD22 LEU 68 6.841 2.767 -0.240 526 3HD2 LEU 68 HD21 LEU 68 6.411 4.393 -0.772 527 H LEU 69 HN LEU 69 10.079 1.008 1.847 528 HA LEU 69 HA LEU 69 8.260 1.748 3.992 529 1HB LEU 69 HB2 LEU 69 9.222 -0.647 2.703 530 2HB LEU 69 HB1 LEU 69 9.246 -0.840 4.450 531 HG LEU 69 HG LEU 69 6.829 0.199 2.951 532 1HD1 LEU 69 HD12 LEU 69 7.562 -2.174 2.298 533 2HD1 LEU 69 HD11 LEU 69 7.225 -2.619 3.970 534 3HD1 LEU 69 HD13 LEU 69 5.933 -2.009 2.941 535 1HD2 LEU 69 HD21 LEU 69 7.360 -0.810 5.751 536 2HD2 LEU 69 HD23 LEU 69 6.643 0.722 5.265 537 3HD2 LEU 69 HD22 LEU 69 5.742 -0.770 5.070 538 H LYS 70 HN LYS 70 11.386 0.044 4.067 539 HA LYS 70 HA LYS 70 11.999 0.126 6.743 540 1HB LYS 70 HB2 LYS 70 13.563 -0.840 5.178 541 2HB LYS 70 HB1 LYS 70 13.851 0.729 4.424 542 1HG LYS 70 HG2 LYS 70 15.085 1.527 6.244 543 2HG LYS 70 HG1 LYS 70 14.363 0.372 7.365 544 1HD LYS 70 HD2 LYS 70 15.656 -1.426 6.524 545 2HD LYS 70 HD1 LYS 70 16.093 -0.536 5.064 546 1HE LYS 70 HE2 LYS 70 17.951 -0.654 6.744 547 2HE LYS 70 HE1 LYS 70 17.473 0.996 6.349 548 1HZ LYS 70 HZ2 LYS 70 15.838 0.216 8.425 549 2HZ LYS 70 HZ1 LYS 70 17.389 -0.337 8.849 550 3HZ LYS 70 HZ3 LYS 70 17.141 1.305 8.503 551 H THR 71 HN THR 71 12.113 2.894 4.529 552 HA THR 71 HA THR 71 13.318 4.679 6.484 553 HB THR 71 HB THR 71 11.618 5.498 4.114 554 HG1 THR 71 HG1 THR 71 14.206 5.556 3.573 555 1HG2 THR 71 HG23 THR 71 12.356 7.206 5.820 556 2HG2 THR 71 HG22 THR 71 14.022 6.818 5.395 557 3HG2 THR 71 HG21 THR 71 12.944 7.511 4.186 558 H ILE 72 HN ILE 72 10.024 3.852 5.495 559 HA ILE 72 HA ILE 72 8.653 5.859 6.994 560 HB ILE 72 HB ILE 72 7.858 3.057 6.161 561 1HG1 ILE 72 HG12 ILE 72 6.702 5.660 5.171 562 2HG1 ILE 72 HG11 ILE 72 8.237 5.090 4.528 563 1HG2 ILE 72 HG22 ILE 72 6.398 5.132 7.760 564 2HG2 ILE 72 HG21 ILE 72 5.489 4.114 6.642 565 3HG2 ILE 72 HG23 ILE 72 6.409 3.379 7.955 566 1HD1 ILE 72 HD12 ILE 72 6.305 2.919 4.541 567 2HD1 ILE 72 HD11 ILE 72 5.652 4.317 3.695 568 3HD1 ILE 72 HD13 ILE 72 7.183 3.618 3.180 569 NH1 ARG 73 NH1 ARG 73 10.330 0.229 14.271 570 NH2 ARG 73 NH2 ARG 73 11.907 -1.198 13.509 571 H ARG 73 HN ARG 73 10.363 3.002 7.938 572 HA ARG 73 HA ARG 73 9.092 2.888 10.602 573 1HB ARG 73 HB2 ARG 73 10.921 1.191 9.014 574 2HB ARG 73 HB1 ARG 73 11.272 1.229 10.741 575 1HG ARG 73 HG2 ARG 73 8.440 0.816 9.808 576 2HG ARG 73 HG1 ARG 73 9.569 -0.538 9.821 577 1HD ARG 73 HD2 ARG 73 9.362 1.196 12.259 578 2HD ARG 73 HD1 ARG 73 8.118 -0.019 11.962 579 HE ARG 73 HE ARG 73 10.127 -1.654 11.800 580 1HH1 ARG 73 HH11 ARG 73 9.455 0.697 14.152 581 2HH1 ARG 73 HH12 ARG 73 10.873 0.387 15.097 582 1HH2 ARG 73 HH21 ARG 73 12.241 -1.824 12.805 583 2HH2 ARG 73 HH22 ARG 73 12.449 -1.039 14.334 584 H ALA 74 HN ALA 74 11.182 4.949 9.249 585 HA ALA 74 HA ALA 74 12.805 5.272 11.750 586 1HB ALA 74 HB2 ALA 74 13.868 4.694 9.350 587 2HB ALA 74 HB1 ALA 74 13.743 6.445 9.179 588 3HB ALA 74 HB3 ALA 74 14.677 5.754 10.504 589 H ASP 75 HN ASP 75 10.675 6.677 9.439 590 HA ASP 75 HA ASP 75 11.193 9.444 9.805 591 1HB ASP 75 HB2 ASP 75 8.502 8.123 9.350 592 2HB ASP 75 HB1 ASP 75 8.918 9.800 8.994 593 H GLY 76 HN GLY 76 8.297 9.967 10.685 594 1HA GLY 76 HA2 GLY 76 8.811 10.759 13.343 595 2HA GLY 76 HA1 GLY 76 7.194 10.529 12.677 596 H ALA 77 HN ALA 77 6.834 9.769 14.990 597 HA ALA 77 HA ALA 77 7.944 7.136 15.664 598 1HB ALA 77 HB2 ALA 77 7.459 8.862 17.406 599 2HB ALA 77 HB1 ALA 77 5.742 8.707 17.035 600 3HB ALA 77 HB3 ALA 77 6.626 7.336 17.705 601 H MET 78 HN MET 78 6.681 6.848 13.259 602 HA MET 78 HA MET 78 3.929 5.893 13.760 603 1HB MET 78 HB2 MET 78 5.520 5.669 11.195 604 2HB MET 78 HB1 MET 78 3.766 5.620 11.385 605 1HG MET 78 HG2 MET 78 3.785 7.837 10.955 606 2HG MET 78 HG1 MET 78 4.489 8.039 12.559 607 1HE MET 78 HE1 MET 78 4.720 8.867 9.056 608 2HE MET 78 HE3 MET 78 6.367 8.564 8.486 609 3HE MET 78 HE2 MET 78 5.286 7.215 8.822 610 H SER 79 HN SER 79 6.663 4.429 12.019 611 HA SER 79 HA SER 79 7.262 2.156 11.844 612 1HB SER 79 HB2 SER 79 8.434 2.637 13.871 613 2HB SER 79 HB1 SER 79 6.946 2.619 14.815 614 HG SER 79 HG SER 79 8.063 0.663 15.050 615 H ALA 80 HN ALA 80 4.237 2.880 12.019 616 HA ALA 80 HA ALA 80 3.372 0.050 12.238 617 1HB ALA 80 HB1 ALA 80 2.943 1.824 14.332 618 2HB ALA 80 HB3 ALA 80 1.419 1.857 13.445 619 3HB ALA 80 HB2 ALA 80 2.055 0.327 14.049 620 H LEU 81 HN LEU 81 3.313 2.948 10.547 621 HA LEU 81 HA LEU 81 0.696 3.188 9.606 622 1HB LEU 81 HB2 LEU 81 2.980 4.461 9.016 623 2HB LEU 81 HB1 LEU 81 2.858 3.439 7.588 624 HG LEU 81 HG LEU 81 0.449 4.242 7.356 625 1HD1 LEU 81 HD12 LEU 81 1.371 5.956 9.638 626 2HD1 LEU 81 HD11 LEU 81 0.325 6.681 8.422 627 3HD1 LEU 81 HD13 LEU 81 -0.220 5.271 9.323 628 1HD2 LEU 81 HD22 LEU 81 2.947 5.729 6.852 629 2HD2 LEU 81 HD21 LEU 81 1.658 5.280 5.737 630 3HD2 LEU 81 HD23 LEU 81 1.479 6.703 6.763 631 HA PRO 82 HA PRO 82 0.472 -0.999 7.814 632 1HB PRO 82 HB2 PRO 82 -2.080 -0.369 6.657 633 2HB PRO 82 HB1 PRO 82 -1.740 -1.426 8.019 634 1HG PRO 82 HG2 PRO 82 -2.954 1.162 8.106 635 2HG PRO 82 HG1 PRO 82 -2.530 0.136 9.477 636 1HD PRO 82 HD2 PRO 82 -1.252 2.571 8.605 637 2HD PRO 82 HD1 PRO 82 -0.868 1.569 10.022 638 H VAL 83 HN VAL 83 0.987 -1.763 5.820 639 HA VAL 83 HA VAL 83 0.652 0.030 3.449 640 HB VAL 83 HB VAL 83 3.109 -1.457 4.386 641 1HG1 VAL 83 HG12 VAL 83 2.198 -0.967 1.524 642 2HG1 VAL 83 HG11 VAL 83 3.909 -1.064 1.928 643 3HG1 VAL 83 HG13 VAL 83 2.858 -2.449 2.211 644 1HG2 VAL 83 HG23 VAL 83 2.432 1.207 4.285 645 2HG2 VAL 83 HG22 VAL 83 4.084 0.605 4.242 646 3HG2 VAL 83 HG21 VAL 83 3.256 0.996 2.740 647 H LEU 84 HN LEU 84 -0.401 -0.992 1.851 648 HA LEU 84 HA LEU 84 -0.474 -3.960 1.972 649 1HB LEU 84 HB2 LEU 84 -2.684 -2.973 2.188 650 2HB LEU 84 HB1 LEU 84 -2.438 -2.025 0.724 651 HG LEU 84 HG LEU 84 -2.288 -4.091 -0.597 652 1HD1 LEU 84 HD11 LEU 84 -2.401 -5.324 2.133 653 2HD1 LEU 84 HD13 LEU 84 -3.095 -6.205 0.771 654 3HD1 LEU 84 HD12 LEU 84 -1.388 -5.756 0.755 655 1HD2 LEU 84 HD23 LEU 84 -4.626 -3.282 0.956 656 2HD2 LEU 84 HD22 LEU 84 -4.502 -3.698 -0.750 657 3HD2 LEU 84 HD21 LEU 84 -4.706 -4.971 0.454 658 H MET 85 HN MET 85 1.638 -3.910 0.958 659 HA MET 85 HA MET 85 1.992 -2.739 -1.647 660 1HB MET 85 HB2 MET 85 3.549 -4.486 0.171 661 2HB MET 85 HB1 MET 85 3.909 -4.671 -1.545 662 1HG MET 85 HG2 MET 85 4.508 -2.389 -1.781 663 2HG MET 85 HG1 MET 85 3.759 -1.950 -0.245 664 1HE MET 85 HE1 MET 85 6.387 -1.024 -1.168 665 2HE MET 85 HE3 MET 85 7.844 -1.741 -0.468 666 3HE MET 85 HE2 MET 85 7.111 -2.453 -1.903 667 H VAL 86 HN VAL 86 1.434 -3.681 -3.652 668 HA VAL 86 HA VAL 86 0.405 -6.475 -3.557 669 HB VAL 86 HB VAL 86 -1.221 -5.881 -5.087 670 1HG1 VAL 86 HG12 VAL 86 -1.106 -4.467 -2.824 671 2HG1 VAL 86 HG11 VAL 86 -0.993 -3.135 -3.974 672 3HG1 VAL 86 HG13 VAL 86 -2.383 -4.215 -4.007 673 1HG2 VAL 86 HG23 VAL 86 0.619 -3.631 -5.855 674 2HG2 VAL 86 HG22 VAL 86 0.036 -4.947 -6.870 675 3HG2 VAL 86 HG21 VAL 86 -1.064 -3.666 -6.369 676 H THR 87 HN THR 87 1.160 -7.969 -5.021 677 HA THR 87 HA THR 87 2.907 -7.057 -7.232 678 HB THR 87 HB THR 87 4.509 -7.259 -5.416 679 HG1 THR 87 HG1 THR 87 4.971 -8.208 -7.523 680 1HG2 THR 87 HG21 THR 87 3.336 -10.025 -5.029 681 2HG2 THR 87 HG23 THR 87 4.749 -9.393 -4.185 682 3HG2 THR 87 HG22 THR 87 3.164 -8.664 -3.921 683 H ALA 88 HN ALA 88 3.652 -9.088 -8.516 684 HA ALA 88 HA ALA 88 1.275 -10.830 -8.804 685 1HB ALA 88 HB1 ALA 88 3.746 -10.488 -10.528 686 2HB ALA 88 HB3 ALA 88 2.385 -11.539 -10.922 687 3HB ALA 88 HB2 ALA 88 2.155 -9.791 -10.835 688 H GLU 89 HN GLU 89 4.562 -11.825 -9.578 689 HA GLU 89 HA GLU 89 4.350 -14.451 -8.698 690 1HB GLU 89 HB2 GLU 89 6.990 -13.639 -8.034 691 2HB GLU 89 HB1 GLU 89 6.450 -14.455 -9.499 692 1HG GLU 89 HG2 GLU 89 5.971 -12.316 -10.567 693 2HG GLU 89 HG1 GLU 89 6.375 -11.452 -9.082 694 H ALA 90 HN ALA 90 6.054 -11.963 -6.754 695 HA ALA 90 HA ALA 90 6.122 -11.671 -4.423 696 1HB ALA 90 HB1 ALA 90 3.496 -12.358 -4.950 697 2HB ALA 90 HB3 ALA 90 3.982 -13.570 -3.769 698 3HB ALA 90 HB2 ALA 90 4.118 -11.856 -3.378 699 H LYS 91 HN LYS 91 8.052 -12.723 -3.969 700 HA LYS 91 HA LYS 91 8.036 -15.684 -3.735 701 1HB LYS 91 HB2 LYS 91 10.110 -13.581 -4.077 702 2HB LYS 91 HB1 LYS 91 10.574 -14.984 -3.114 703 1HG LYS 91 HG2 LYS 91 10.235 -16.480 -4.889 704 2HG LYS 91 HG1 LYS 91 9.186 -15.361 -5.758 705 1HD LYS 91 HD2 LYS 91 11.134 -13.875 -6.164 706 2HD LYS 91 HD1 LYS 91 12.174 -15.041 -5.344 707 1HE LYS 91 HE2 LYS 91 11.176 -16.750 -7.056 708 2HE LYS 91 HE1 LYS 91 10.750 -15.309 -7.979 709 1HZ LYS 91 HZ1 LYS 91 13.456 -15.383 -6.935 710 2HZ LYS 91 HZ3 LYS 91 13.112 -16.521 -8.144 711 3HZ LYS 91 HZ2 LYS 91 12.887 -14.866 -8.450 712 H LYS 92 HN LYS 92 7.596 -16.543 -1.773 713 HA LYS 92 HA LYS 92 7.062 -15.229 0.594 714 1HB LYS 92 HB2 LYS 92 8.086 -17.430 1.685 715 2HB LYS 92 HB1 LYS 92 6.577 -17.479 0.775 716 1HG LYS 92 HG2 LYS 92 7.749 -18.208 -1.232 717 2HG LYS 92 HG1 LYS 92 9.308 -18.022 -0.431 718 1HD LYS 92 HD2 LYS 92 8.971 -20.300 -0.161 719 2HD LYS 92 HD1 LYS 92 8.228 -19.705 1.322 720 1HE LYS 92 HE2 LYS 92 6.075 -19.540 -0.223 721 2HE LYS 92 HE1 LYS 92 6.929 -20.768 -1.156 722 1HZ LYS 92 HZ1 LYS 92 7.169 -21.483 1.509 723 2HZ LYS 92 HZ3 LYS 92 5.546 -21.045 1.291 724 3HZ LYS 92 HZ2 LYS 92 6.237 -22.251 0.314 725 H GLU 93 HN GLU 93 10.280 -16.514 -0.316 726 HA GLU 93 HA GLU 93 11.740 -15.783 1.921 727 1HB GLU 93 HB2 GLU 93 12.576 -15.498 -0.979 728 2HB GLU 93 HB1 GLU 93 13.683 -15.493 0.395 729 1HG GLU 93 HG2 GLU 93 11.852 -17.771 0.453 730 2HG GLU 93 HG1 GLU 93 12.847 -17.745 -1.003 731 H ASN 94 HN ASN 94 10.559 -13.681 -0.662 732 HA ASN 94 HA ASN 94 11.946 -11.341 0.447 733 1HB ASN 94 HB2 ASN 94 10.973 -12.002 -2.066 734 2HB ASN 94 HB1 ASN 94 9.823 -10.797 -1.486 735 1HD2 ASN 94 HD22 ASN 94 12.985 -9.249 -3.042 736 2HD2 ASN 94 HD21 ASN 94 12.054 -10.568 -3.564 737 H ILE 95 HN ILE 95 8.628 -12.596 0.313 738 HA ILE 95 HA ILE 95 7.315 -10.340 1.430 739 HB ILE 95 HB ILE 95 6.630 -13.258 1.905 740 1HG1 ILE 95 HG12 ILE 95 6.823 -12.911 -0.481 741 2HG1 ILE 95 HG11 ILE 95 5.111 -12.944 -0.079 742 1HG2 ILE 95 HG22 ILE 95 5.152 -10.662 2.237 743 2HG2 ILE 95 HG21 ILE 95 4.262 -12.136 1.856 744 3HG2 ILE 95 HG23 ILE 95 5.232 -12.048 3.326 745 1HD1 ILE 95 HD13 ILE 95 5.372 -10.343 0.119 746 2HD1 ILE 95 HD12 ILE 95 6.827 -10.595 -0.844 747 3HD1 ILE 95 HD11 ILE 95 5.254 -11.075 -1.480 748 H ILE 96 HN ILE 96 9.811 -12.008 2.802 749 HA ILE 96 HA ILE 96 8.785 -11.927 5.568 750 HB ILE 96 HB ILE 96 11.427 -12.771 4.357 751 1HG1 ILE 96 HG12 ILE 96 9.397 -14.360 5.951 752 2HG1 ILE 96 HG11 ILE 96 9.357 -14.252 4.191 753 1HG2 ILE 96 HG23 ILE 96 10.588 -12.430 7.236 754 2HG2 ILE 96 HG22 ILE 96 11.833 -13.591 6.777 755 3HG2 ILE 96 HG21 ILE 96 12.066 -11.874 6.450 756 1HD1 ILE 96 HD11 ILE 96 11.738 -15.083 4.165 757 2HD1 ILE 96 HD13 ILE 96 11.597 -15.367 5.900 758 3HD1 ILE 96 HD12 ILE 96 10.572 -16.257 4.774 759 H ALA 97 HN ALA 97 11.761 -10.670 4.046 760 HA ALA 97 HA ALA 97 12.473 -8.797 5.970 761 1HB ALA 97 HB2 ALA 97 12.681 -8.665 2.956 762 2HB ALA 97 HB1 ALA 97 13.365 -7.416 3.997 763 3HB ALA 97 HB3 ALA 97 13.945 -9.077 4.115 764 H ALA 98 HN ALA 98 9.957 -8.519 3.518 765 HA ALA 98 HA ALA 98 9.413 -5.733 3.888 766 1HB ALA 98 HB2 ALA 98 8.505 -7.657 2.177 767 2HB ALA 98 HB1 ALA 98 7.113 -7.469 3.241 768 3HB ALA 98 HB3 ALA 98 7.752 -6.074 2.372 769 H ALA 99 HN ALA 99 7.715 -8.599 5.229 770 HA ALA 99 HA ALA 99 5.901 -7.228 6.851 771 1HB ALA 99 HB3 ALA 99 6.765 -9.903 6.555 772 2HB ALA 99 HB2 ALA 99 6.896 -9.529 8.274 773 3HB ALA 99 HB1 ALA 99 5.354 -9.328 7.442 774 H GLN 100 HN GLN 100 9.223 -8.249 7.684 775 HA GLN 100 HA GLN 100 9.290 -7.386 10.353 776 1HB GLN 100 HB2 GLN 100 11.531 -7.048 8.335 777 2HB GLN 100 HB1 GLN 100 11.701 -7.171 10.088 778 1HG GLN 100 HG2 GLN 100 10.369 -9.438 9.721 779 2HG GLN 100 HG1 GLN 100 11.038 -9.304 8.094 780 1HE2 GLN 100 HE22 GLN 100 13.413 -10.946 10.690 781 2HE2 GLN 100 HE21 GLN 100 11.725 -11.090 10.567 782 H ALA 101 HN ALA 101 8.992 -5.523 7.478 783 HA ALA 101 HA ALA 101 9.768 -3.010 8.862 784 1HB ALA 101 HB1 ALA 101 10.549 -3.400 6.527 785 2HB ALA 101 HB3 ALA 101 8.868 -3.455 5.996 786 3HB ALA 101 HB2 ALA 101 9.535 -1.963 6.657 787 H GLY 102 HN GLY 102 7.458 -2.446 6.512 788 1HA GLY 102 HA2 GLY 102 5.233 -2.380 8.461 789 2HA GLY 102 HA1 GLY 102 5.559 -0.999 7.423 790 H ALA 103 HN ALA 103 6.397 -3.490 5.584 791 HA ALA 103 HA ALA 103 4.248 -3.371 3.755 792 1HB ALA 103 HB2 ALA 103 6.700 -4.891 4.097 793 2HB ALA 103 HB1 ALA 103 5.423 -5.848 3.348 794 3HB ALA 103 HB3 ALA 103 5.930 -4.327 2.614 795 H SER 104 HN SER 104 3.879 -4.318 6.707 796 HA SER 104 HA SER 104 2.969 -6.768 7.249 797 1HB SER 104 HB2 SER 104 1.717 -4.110 7.782 798 2HB SER 104 HB1 SER 104 0.789 -5.551 8.186 799 HG SER 104 HG SER 104 3.376 -4.808 9.085 800 H GLY 105 HN GLY 105 1.280 -4.659 4.932 801 1HA GLY 105 HA2 GLY 105 -0.712 -6.829 4.466 802 2HA GLY 105 HA1 GLY 105 -0.857 -5.171 3.898 803 OH TYR 106 OH TYR 106 2.009 -13.242 -2.577 804 H TYR 106 HN TYR 106 -0.439 -8.182 2.746 805 HA TYR 106 HA TYR 106 0.954 -7.161 0.337 806 1HB TYR 106 HB2 TYR 106 2.830 -8.276 0.957 807 2HB TYR 106 HB1 TYR 106 1.962 -9.282 2.115 808 HD1 TYR 106 HD2 TYR 106 1.937 -8.777 -1.659 809 HD2 TYR 106 HD1 TYR 106 1.956 -11.557 1.628 810 HE1 TYR 106 HE2 TYR 106 1.973 -10.680 -3.240 811 HE2 TYR 106 HE1 TYR 106 1.994 -13.439 0.042 812 HH TYR 106 HH TYR 106 2.549 -13.936 -2.192 813 H VAL 107 HN VAL 107 -0.611 -7.393 -1.152 814 HA VAL 107 HA VAL 107 -2.174 -9.952 -1.164 815 HB VAL 107 HB VAL 107 -3.672 -8.066 -0.971 816 1HG1 VAL 107 HG13 VAL 107 -1.735 -6.854 -2.836 817 2HG1 VAL 107 HG12 VAL 107 -3.416 -6.500 -3.208 818 3HG1 VAL 107 HG11 VAL 107 -2.756 -6.093 -1.628 819 1HG2 VAL 107 HG21 VAL 107 -4.115 -9.921 -2.696 820 2HG2 VAL 107 HG23 VAL 107 -5.026 -8.424 -2.896 821 3HG2 VAL 107 HG22 VAL 107 -3.624 -8.747 -3.915 822 H VAL 108 HN VAL 108 -2.363 -11.035 -3.212 823 HA VAL 108 HA VAL 108 -0.063 -10.455 -4.967 824 HB VAL 108 HB VAL 108 -2.060 -12.734 -4.819 825 1HG1 VAL 108 HG11 VAL 108 -0.139 -11.962 -6.987 826 2HG1 VAL 108 HG13 VAL 108 -0.355 -13.672 -6.618 827 3HG1 VAL 108 HG12 VAL 108 -1.736 -12.698 -7.119 828 1HG2 VAL 108 HG23 VAL 108 -0.145 -12.608 -3.202 829 2HG2 VAL 108 HG22 VAL 108 -0.092 -14.034 -4.240 830 3HG2 VAL 108 HG21 VAL 108 0.959 -12.657 -4.577 831 H LYS 109 HN LYS 109 -0.498 -8.925 -6.569 832 HA LYS 109 HA LYS 109 -3.213 -8.432 -7.476 833 1HB LYS 109 HB2 LYS 109 -2.027 -6.842 -9.082 834 2HB LYS 109 HB1 LYS 109 -1.751 -6.541 -7.367 835 1HG LYS 109 HG2 LYS 109 0.431 -7.167 -7.470 836 2HG LYS 109 HG1 LYS 109 0.131 -8.435 -8.654 837 1HD LYS 109 HD2 LYS 109 0.039 -5.479 -9.315 838 2HD LYS 109 HD1 LYS 109 1.482 -6.469 -9.518 839 1HE LYS 109 HE2 LYS 109 0.718 -7.181 -11.509 840 2HE LYS 109 HE1 LYS 109 -0.712 -7.854 -10.730 841 1HZ LYS 109 HZ2 LYS 109 -1.564 -5.465 -10.751 842 2HZ LYS 109 HZ1 LYS 109 -0.340 -5.165 -11.891 843 3HZ LYS 109 HZ3 LYS 109 -1.548 -6.307 -12.228 844 HA PRO 110 HA PRO 110 -4.166 -7.527 -9.492 845 1HB PRO 110 HB2 PRO 110 -6.202 -8.997 -10.872 846 2HB PRO 110 HB1 PRO 110 -5.256 -7.633 -11.481 847 1HG PRO 110 HG2 PRO 110 -5.078 -10.343 -12.338 848 2HG PRO 110 HG1 PRO 110 -4.007 -9.013 -12.799 849 1HD PRO 110 HD2 PRO 110 -3.494 -11.230 -10.943 850 2HD PRO 110 HD1 PRO 110 -2.343 -10.087 -11.667 851 H PHE 111 HN PHE 111 -6.369 -7.390 -8.459 852 HA PHE 111 HA PHE 111 -7.264 -9.863 -7.075 853 1HB PHE 111 HB2 PHE 111 -7.519 -8.446 -4.948 854 2HB PHE 111 HB1 PHE 111 -5.890 -8.966 -5.355 855 HD1 PHE 111 HD2 PHE 111 -8.289 -6.100 -5.725 856 HD2 PHE 111 HD1 PHE 111 -4.197 -7.381 -5.691 857 HE1 PHE 111 HE2 PHE 111 -7.529 -3.750 -5.908 858 HE2 PHE 111 HE1 PHE 111 -3.447 -5.036 -5.878 859 HZ PHE 111 HZ PHE 111 -5.116 -3.214 -5.975 860 H THR 112 HN THR 112 -9.376 -9.671 -6.214 861 HA THR 112 HA THR 112 -11.037 -7.634 -7.607 862 HB THR 112 HB THR 112 -12.225 -9.808 -5.923 863 HG1 THR 112 HG1 THR 112 -12.064 -11.094 -7.949 864 1HG2 THR 112 HG23 THR 112 -13.540 -8.045 -7.166 865 2HG2 THR 112 HG22 THR 112 -12.958 -8.765 -8.667 866 3HG2 THR 112 HG21 THR 112 -13.972 -9.705 -7.572 867 H ALA 113 HN ALA 113 -12.473 -6.304 -6.294 868 HA ALA 113 HA ALA 113 -11.361 -5.267 -3.944 869 1HB ALA 113 HB3 ALA 113 -13.434 -4.468 -5.381 870 2HB ALA 113 HB2 ALA 113 -14.356 -5.383 -4.188 871 3HB ALA 113 HB1 ALA 113 -13.333 -4.042 -3.673 872 H ALA 114 HN ALA 114 -12.887 -8.286 -4.369 873 HA ALA 114 HA ALA 114 -13.690 -8.572 -1.569 874 1HB ALA 114 HB3 ALA 114 -13.585 -10.392 -3.963 875 2HB ALA 114 HB2 ALA 114 -13.740 -11.091 -2.351 876 3HB ALA 114 HB1 ALA 114 -14.965 -9.972 -2.949 877 H THR 115 HN THR 115 -10.951 -9.493 -3.622 878 HA THR 115 HA THR 115 -9.600 -10.973 -1.529 879 HB THR 115 HB THR 115 -7.619 -10.017 -3.239 880 HG1 THR 115 HG1 THR 115 -8.927 -10.665 -5.257 881 1HG2 THR 115 HG22 THR 115 -9.356 -12.493 -3.367 882 2HG2 THR 115 HG21 THR 115 -7.878 -12.283 -4.306 883 3HG2 THR 115 HG23 THR 115 -7.805 -12.321 -2.545 884 H LEU 116 HN LEU 116 -8.813 -7.734 -2.998 885 HA LEU 116 HA LEU 116 -7.016 -6.925 -1.006 886 1HB LEU 116 HB2 LEU 116 -8.180 -5.687 -3.146 887 2HB LEU 116 HB1 LEU 116 -8.962 -4.850 -1.808 888 HG LEU 116 HG LEU 116 -6.681 -4.491 -0.794 889 1HD1 LEU 116 HD11 LEU 116 -5.928 -6.014 -3.220 890 2HD1 LEU 116 HD13 LEU 116 -4.957 -4.575 -2.916 891 3HD1 LEU 116 HD12 LEU 116 -5.074 -5.836 -1.691 892 1HD2 LEU 116 HD22 LEU 116 -7.953 -2.819 -2.285 893 2HD2 LEU 116 HD21 LEU 116 -6.220 -2.557 -2.096 894 3HD2 LEU 116 HD23 LEU 116 -6.842 -3.302 -3.566 895 H GLU 117 HN GLU 117 -10.581 -6.882 -0.887 896 HA GLU 117 HA GLU 117 -10.789 -5.487 1.586 897 1HB GLU 117 HB2 GLU 117 -12.769 -5.695 0.270 898 2HB GLU 117 HB1 GLU 117 -12.619 -7.454 0.213 899 1HG GLU 117 HG2 GLU 117 -12.784 -6.174 2.903 900 2HG GLU 117 HG1 GLU 117 -14.261 -6.242 1.943 901 H GLU 118 HN GLU 118 -11.049 -8.986 0.951 902 HA GLU 118 HA GLU 118 -11.252 -9.952 3.536 903 1HB GLU 118 HB2 GLU 118 -10.835 -11.117 1.118 904 2HB GLU 118 HB1 GLU 118 -9.264 -11.388 1.873 905 1HG GLU 118 HG2 GLU 118 -10.495 -12.285 3.895 906 2HG GLU 118 HG1 GLU 118 -11.975 -12.215 2.938 907 H LYS 119 HN LYS 119 -8.071 -9.735 1.896 908 HA LYS 119 HA LYS 119 -6.442 -10.122 4.112 909 1HB LYS 119 HB2 LYS 119 -6.039 -9.328 1.495 910 2HB LYS 119 HB1 LYS 119 -5.500 -7.919 2.402 911 1HG LYS 119 HG2 LYS 119 -3.543 -9.201 2.299 912 2HG LYS 119 HG1 LYS 119 -4.202 -9.667 3.862 913 1HD LYS 119 HD2 LYS 119 -3.575 -11.698 2.725 914 2HD LYS 119 HD1 LYS 119 -5.334 -11.618 2.714 915 1HE LYS 119 HE2 LYS 119 -4.219 -10.275 0.383 916 2HE LYS 119 HE1 LYS 119 -3.668 -11.945 0.484 917 1HZ LYS 119 HZ1 LYS 119 -6.110 -12.462 0.964 918 2HZ LYS 119 HZ3 LYS 119 -6.428 -10.919 0.335 919 3HZ LYS 119 HZ2 LYS 119 -5.672 -12.092 -0.635 920 H LEU 120 HN LEU 120 -8.161 -7.180 3.180 921 HA LEU 120 HA LEU 120 -6.934 -5.372 4.990 922 1HB LEU 120 HB2 LEU 120 -8.862 -5.113 3.128 923 2HB LEU 120 HB1 LEU 120 -9.879 -5.155 4.568 924 HG LEU 120 HG LEU 120 -8.149 -3.425 5.504 925 1HD1 LEU 120 HD13 LEU 120 -6.857 -3.867 3.194 926 2HD1 LEU 120 HD12 LEU 120 -7.916 -2.561 2.663 927 3HD1 LEU 120 HD11 LEU 120 -6.807 -2.304 4.009 928 1HD2 LEU 120 HD21 LEU 120 -10.421 -3.040 3.603 929 2HD2 LEU 120 HD23 LEU 120 -10.284 -2.564 5.296 930 3HD2 LEU 120 HD22 LEU 120 -9.469 -1.622 4.046 931 H ASN 121 HN ASN 121 -10.152 -6.857 5.511 932 HA ASN 121 HA ASN 121 -10.377 -6.311 8.238 933 1HB ASN 121 HB2 ASN 121 -11.854 -7.738 6.421 934 2HB ASN 121 HB1 ASN 121 -11.288 -9.017 7.493 935 1HD2 ASN 121 HD22 ASN 121 -14.462 -7.434 8.848 936 2HD2 ASN 121 HD21 ASN 121 -14.066 -8.066 7.323 937 H LYS 122 HN LYS 122 -8.516 -8.852 6.668 938 HA LYS 122 HA LYS 122 -7.963 -10.449 8.948 939 1HB LYS 122 HB2 LYS 122 -7.395 -10.927 6.487 940 2HB LYS 122 HB1 LYS 122 -5.964 -9.931 6.748 941 1HG LYS 122 HG2 LYS 122 -5.121 -12.028 7.285 942 2HG LYS 122 HG1 LYS 122 -5.656 -11.474 8.872 943 1HD LYS 122 HD2 LYS 122 -6.714 -13.509 8.873 944 2HD LYS 122 HD1 LYS 122 -7.955 -12.595 8.016 945 1HE LYS 122 HE2 LYS 122 -6.856 -13.256 5.855 946 2HE LYS 122 HE1 LYS 122 -5.771 -14.294 6.779 947 1HZ LYS 122 HZ1 LYS 122 -8.733 -14.484 6.809 948 2HZ LYS 122 HZ3 LYS 122 -7.708 -15.490 5.907 949 3HZ LYS 122 HZ2 LYS 122 -7.648 -15.520 7.605 950 H ILE 123 HN ILE 123 -6.375 -7.504 7.759 951 HA ILE 123 HA ILE 123 -4.410 -7.644 9.962 952 HB ILE 123 HB ILE 123 -4.795 -5.907 7.551 953 1HG1 ILE 123 HG12 ILE 123 -2.316 -7.120 8.805 954 2HG1 ILE 123 HG11 ILE 123 -3.338 -7.982 7.657 955 1HG2 ILE 123 HG21 ILE 123 -3.389 -5.116 10.110 956 2HG2 ILE 123 HG23 ILE 123 -2.879 -4.476 8.550 957 3HG2 ILE 123 HG22 ILE 123 -4.510 -4.161 9.136 958 1HD1 ILE 123 HD13 ILE 123 -2.384 -5.249 6.902 959 2HD1 ILE 123 HD12 ILE 123 -1.230 -6.579 6.834 960 3HD1 ILE 123 HD11 ILE 123 -2.709 -6.645 5.877 961 H PHE 124 HN PHE 124 -7.045 -5.454 8.924 962 HA PHE 124 HA PHE 124 -6.859 -3.611 11.021 963 1HB PHE 124 HB2 PHE 124 -9.116 -4.589 9.318 964 2HB PHE 124 HB1 PHE 124 -9.465 -3.515 10.671 965 HD1 PHE 124 HD2 PHE 124 -7.343 -3.887 7.640 966 HD2 PHE 124 HD1 PHE 124 -8.992 -1.182 10.538 967 HE1 PHE 124 HE2 PHE 124 -6.524 -1.964 6.313 968 HE2 PHE 124 HE1 PHE 124 -8.157 0.745 9.211 969 HZ PHE 124 HZ PHE 124 -6.925 0.348 7.097 970 H GLU 125 HN GLU 125 -7.803 -6.931 11.192 971 HA GLU 125 HA GLU 125 -9.501 -6.884 13.469 972 1HB GLU 125 HB2 GLU 125 -7.893 -8.857 12.063 973 2HB GLU 125 HB1 GLU 125 -7.790 -9.099 13.808 974 1HG GLU 125 HG2 GLU 125 -10.190 -9.232 14.005 975 2HG GLU 125 HG1 GLU 125 -10.406 -8.740 12.325 976 H LYS 126 HN LYS 126 -6.009 -6.607 13.135 977 HA LYS 126 HA LYS 126 -5.546 -6.595 16.026 978 1HB LYS 126 HB2 LYS 126 -3.738 -5.779 13.723 979 2HB LYS 126 HB1 LYS 126 -3.230 -5.988 15.398 980 1HG LYS 126 HG2 LYS 126 -4.661 -8.254 14.072 981 2HG LYS 126 HG1 LYS 126 -2.977 -7.965 13.635 982 1HD LYS 126 HD2 LYS 126 -2.200 -8.411 15.783 983 2HD LYS 126 HD1 LYS 126 -3.742 -8.007 16.535 984 1HE LYS 126 HE2 LYS 126 -3.145 -10.498 16.447 985 2HE LYS 126 HE1 LYS 126 -4.737 -10.055 15.832 986 1HZ LYS 126 HZ2 LYS 126 -2.917 -9.816 13.735 987 2HZ LYS 126 HZ1 LYS 126 -2.634 -11.319 14.474 988 3HZ LYS 126 HZ3 LYS 126 -4.183 -10.939 13.898 989 H LEU 127 HN LEU 127 -6.057 -4.279 13.431 990 HA LEU 127 HA LEU 127 -5.276 -1.932 14.886 991 1HB LEU 127 HB2 LEU 127 -5.678 -2.106 12.372 992 2HB LEU 127 HB1 LEU 127 -7.402 -2.083 12.714 993 HG LEU 127 HG LEU 127 -5.559 0.073 13.780 994 1HD1 LEU 127 HD13 LEU 127 -6.475 -0.377 11.009 995 2HD1 LEU 127 HD12 LEU 127 -6.742 1.251 11.632 996 3HD1 LEU 127 HD11 LEU 127 -5.115 0.572 11.611 997 1HD2 LEU 127 HD21 LEU 127 -8.434 -0.429 13.820 998 2HD2 LEU 127 HD23 LEU 127 -7.501 0.789 14.685 999 3HD2 LEU 127 HD22 LEU 127 -8.068 1.109 13.050 1000 H GLY 128 HN GLY 128 -8.075 -3.988 14.977 1001 1HA GLY 128 HA2 GLY 128 -9.660 -3.998 16.768 1002 2HA GLY 128 HA1 GLY 128 -9.147 -2.367 17.202 1003 H MET 129 HN MET 129 -10.589 -3.984 14.348 1004 HA MET 129 HA MET 129 -12.691 -1.873 14.324 1005 1HB MET 129 HB2 MET 129 -10.581 -2.325 12.338 1006 2HB MET 129 HB1 MET 129 -12.201 -2.339 11.645 1007 1HG MET 129 HG2 MET 129 -11.174 -0.162 13.485 1008 2HG MET 129 HG1 MET 129 -11.145 -0.053 11.725 1009 1HE MET 129 HE1 MET 129 -12.090 2.043 12.196 1010 2HE MET 129 HE3 MET 129 -13.826 2.361 12.071 1011 3HE MET 129 HE2 MET 129 -13.072 2.182 13.653 Start of MODEL 23 Raw file had 1011 H/Q atoms Start of MODEL 23 1 H ALA 2 HN ALA 2 -14.407 -0.305 8.583 2 HA ALA 2 HA ALA 2 -12.339 0.559 10.499 3 1HB ALA 2 HB3 ALA 2 -12.262 -0.513 7.670 4 2HB ALA 2 HB2 ALA 2 -10.819 0.087 8.487 5 3HB ALA 2 HB1 ALA 2 -11.693 -1.297 9.145 6 H ASP 3 HN ASP 3 -13.983 2.699 10.081 7 HA ASP 3 HA ASP 3 -14.029 4.920 9.292 8 1HB ASP 3 HB2 ASP 3 -11.226 4.152 9.712 9 2HB ASP 3 HB1 ASP 3 -11.410 5.447 8.529 10 H LYS 4 HN LYS 4 -15.210 4.676 7.341 11 HA LYS 4 HA LYS 4 -13.921 3.682 4.932 12 1HB LYS 4 HB2 LYS 4 -16.049 4.457 3.820 13 2HB LYS 4 HB1 LYS 4 -16.288 3.321 5.138 14 1HG LYS 4 HG2 LYS 4 -17.138 4.952 6.572 15 2HG LYS 4 HG1 LYS 4 -16.335 6.268 5.715 16 1HD LYS 4 HD2 LYS 4 -18.363 4.666 4.215 17 2HD LYS 4 HD1 LYS 4 -18.950 5.813 5.419 18 1HE LYS 4 HE2 LYS 4 -16.860 6.716 3.470 19 2HE LYS 4 HE1 LYS 4 -18.532 6.589 2.924 20 1HZ LYS 4 HZ3 LYS 4 -19.109 7.928 4.964 21 2HZ LYS 4 HZ2 LYS 4 -17.448 8.249 5.122 22 3HZ LYS 4 HZ1 LYS 4 -18.288 8.759 3.735 23 H GLU 5 HN GLU 5 -12.359 5.693 5.900 24 HA GLU 5 HA GLU 5 -12.337 7.550 3.656 25 1HB GLU 5 HB2 GLU 5 -13.776 8.361 5.900 26 2HB GLU 5 HB1 GLU 5 -12.189 9.090 6.145 27 1HG GLU 5 HG2 GLU 5 -13.403 10.688 4.873 28 2HG GLU 5 HG1 GLU 5 -12.356 9.883 3.705 29 H LEU 6 HN LEU 6 -10.705 5.450 5.025 30 HA LEU 6 HA LEU 6 -8.524 6.770 6.353 31 1HB LEU 6 HB2 LEU 6 -9.076 4.382 6.648 32 2HB LEU 6 HB1 LEU 6 -8.614 4.067 4.990 33 HG LEU 6 HG LEU 6 -6.293 4.767 5.485 34 1HD1 LEU 6 HD12 LEU 6 -7.573 5.480 8.087 35 2HD1 LEU 6 HD11 LEU 6 -5.912 4.886 8.105 36 3HD1 LEU 6 HD13 LEU 6 -6.321 6.332 7.182 37 1HD2 LEU 6 HD21 LEU 6 -7.667 2.643 7.077 38 2HD2 LEU 6 HD23 LEU 6 -6.469 2.480 5.795 39 3HD2 LEU 6 HD22 LEU 6 -5.972 2.980 7.412 40 H LYS 7 HN LYS 7 -6.534 7.478 5.462 41 HA LYS 7 HA LYS 7 -6.686 8.235 2.643 42 1HB LYS 7 HB2 LYS 7 -5.192 9.046 4.994 43 2HB LYS 7 HB1 LYS 7 -4.140 8.898 3.586 44 1HG LYS 7 HG2 LYS 7 -5.667 10.328 2.284 45 2HG LYS 7 HG1 LYS 7 -6.731 10.476 3.680 46 1HD LYS 7 HD2 LYS 7 -3.828 11.361 3.606 47 2HD LYS 7 HD1 LYS 7 -5.213 12.438 3.442 48 1HE LYS 7 HE2 LYS 7 -4.956 12.648 5.706 49 2HE LYS 7 HE1 LYS 7 -5.894 11.157 5.734 50 1HZ LYS 7 HZ3 LYS 7 -3.758 9.936 5.650 51 2HZ LYS 7 HZ2 LYS 7 -2.940 11.415 5.823 52 3HZ LYS 7 HZ1 LYS 7 -3.958 10.854 7.061 53 H PHE 8 HN PHE 8 -5.788 7.168 0.956 54 HA PHE 8 HA PHE 8 -3.742 5.081 1.521 55 1HB PHE 8 HB2 PHE 8 -5.769 5.264 -0.716 56 2HB PHE 8 HB1 PHE 8 -4.514 4.047 -0.603 57 HD1 PHE 8 HD1 PHE 8 -7.331 5.511 1.296 58 HD2 PHE 8 HD2 PHE 8 -4.920 2.057 0.570 59 HE1 PHE 8 HE1 PHE 8 -8.789 4.188 2.766 60 HE2 PHE 8 HE2 PHE 8 -6.382 0.708 2.065 61 HZ PHE 8 HZ PHE 8 -8.329 1.784 3.169 62 H LEU 9 HN LEU 9 -1.988 4.934 0.071 63 HA LEU 9 HA LEU 9 -1.721 7.215 -1.848 64 1HB LEU 9 HB2 LEU 9 -0.239 7.686 -0.002 65 2HB LEU 9 HB1 LEU 9 0.381 6.040 -0.009 66 HG LEU 9 HG LEU 9 1.441 6.376 -2.163 67 1HD1 LEU 9 HD12 LEU 9 -0.162 8.926 -2.127 68 2HD1 LEU 9 HD11 LEU 9 1.296 8.800 -3.107 69 3HD1 LEU 9 HD13 LEU 9 -0.059 7.709 -3.399 70 1HD2 LEU 9 HD21 LEU 9 1.861 8.637 -0.200 71 2HD2 LEU 9 HD23 LEU 9 2.795 7.149 -0.365 72 3HD2 LEU 9 HD22 LEU 9 2.891 8.395 -1.609 73 H VAL 10 HN VAL 10 -1.968 6.205 -3.822 74 HA VAL 10 HA VAL 10 -0.787 3.505 -4.183 75 HB VAL 10 HB VAL 10 -1.875 4.288 -6.634 76 1HG1 VAL 10 HG11 VAL 10 -2.089 2.085 -5.480 77 2HG1 VAL 10 HG13 VAL 10 -3.268 2.809 -4.386 78 3HG1 VAL 10 HG12 VAL 10 -3.626 2.678 -6.105 79 1HG2 VAL 10 HG23 VAL 10 -3.620 5.272 -4.351 80 2HG2 VAL 10 HG22 VAL 10 -2.889 6.264 -5.612 81 3HG2 VAL 10 HG21 VAL 10 -4.142 5.101 -6.026 82 H VAL 11 HN VAL 11 1.387 3.637 -4.577 83 HA VAL 11 HA VAL 11 2.427 5.839 -6.197 84 HB VAL 11 HB VAL 11 3.936 3.527 -4.954 85 1HG1 VAL 11 HG12 VAL 11 4.692 5.696 -6.697 86 2HG1 VAL 11 HG11 VAL 11 5.467 5.908 -5.128 87 3HG1 VAL 11 HG13 VAL 11 5.703 4.413 -6.033 88 1HG2 VAL 11 HG21 VAL 11 3.051 6.194 -3.878 89 2HG2 VAL 11 HG23 VAL 11 2.988 4.614 -3.103 90 3HG2 VAL 11 HG22 VAL 11 4.532 5.444 -3.285 91 H ASP 12 HN ASP 12 0.712 3.620 -7.308 92 HA ASP 12 HA ASP 12 2.223 1.795 -8.852 93 1HB ASP 12 HB2 ASP 12 -0.410 3.155 -9.502 94 2HB ASP 12 HB1 ASP 12 0.242 1.772 -10.383 95 H ASP 13 HN ASP 13 3.603 2.114 -10.525 96 HA ASP 13 HA ASP 13 3.786 4.826 -11.708 97 1HB ASP 13 HB2 ASP 13 5.974 4.313 -12.237 98 2HB ASP 13 HB1 ASP 13 5.754 3.209 -10.878 99 H PHE 14 HN PHE 14 2.140 2.014 -12.334 100 HA PHE 14 HA PHE 14 2.510 1.579 -15.115 101 1HB PHE 14 HB2 PHE 14 0.862 0.542 -13.138 102 2HB PHE 14 HB1 PHE 14 -0.274 1.319 -14.241 103 HD1 PHE 14 HD2 PHE 14 2.613 -1.048 -14.129 104 HD2 PHE 14 HD1 PHE 14 -0.819 0.323 -16.312 105 HE1 PHE 14 HE2 PHE 14 2.879 -2.928 -15.725 106 HE2 PHE 14 HE1 PHE 14 -0.556 -1.555 -17.909 107 HZ PHE 14 HZ PHE 14 1.293 -3.181 -17.615 108 H SER 15 HN SER 15 -0.115 1.989 -16.185 109 HA SER 15 HA SER 15 -0.301 4.977 -16.260 110 1HB SER 15 HB2 SER 15 0.284 3.088 -18.419 111 2HB SER 15 HB1 SER 15 -1.096 4.123 -18.776 112 HG SER 15 HG SER 15 0.352 5.581 -19.194 113 H THR 16 HN THR 16 -1.877 2.350 -15.263 114 HA THR 16 HA THR 16 -4.494 3.630 -15.601 115 HB THR 16 HB THR 16 -4.690 2.426 -17.598 116 HG1 THR 16 HG1 THR 16 -5.502 0.589 -15.598 117 1HG2 THR 16 HG21 THR 16 -3.156 0.226 -16.195 118 2HG2 THR 16 HG23 THR 16 -3.878 0.050 -17.795 119 3HG2 THR 16 HG22 THR 16 -2.595 1.231 -17.533 120 H MET 17 HN MET 17 -2.405 1.245 -14.172 121 HA MET 17 HA MET 17 -4.122 -0.261 -12.580 122 1HB MET 17 HB2 MET 17 -1.764 -0.699 -12.463 123 2HB MET 17 HB1 MET 17 -1.422 0.940 -11.916 124 1HG MET 17 HG2 MET 17 -1.365 -0.811 -10.089 125 2HG MET 17 HG1 MET 17 -2.465 0.524 -9.776 126 1HE MET 17 HE1 MET 17 -1.955 -2.866 -11.278 127 2HE MET 17 HE3 MET 17 -2.155 -3.243 -9.561 128 3HE MET 17 HE2 MET 17 -3.326 -3.832 -10.739 129 NH1 ARG 18 NH1 ARG 18 -6.020 8.969 -11.800 130 NH2 ARG 18 NH2 ARG 18 -4.145 10.025 -12.487 131 H ARG 18 HN ARG 18 -2.805 2.971 -11.789 132 HA ARG 18 HA ARG 18 -3.966 3.422 -9.315 133 1HB ARG 18 HB2 ARG 18 -4.328 5.839 -10.106 134 2HB ARG 18 HB1 ARG 18 -2.705 5.212 -10.148 135 1HG ARG 18 HG2 ARG 18 -2.581 5.744 -12.330 136 2HG ARG 18 HG1 ARG 18 -3.837 4.560 -12.662 137 1HD ARG 18 HD2 ARG 18 -4.640 6.646 -13.512 138 2HD ARG 18 HD1 ARG 18 -5.535 6.346 -12.023 139 HE ARG 18 HE ARG 18 -3.213 7.871 -11.382 140 1HH1 ARG 18 HH11 ARG 18 -6.479 8.143 -11.471 141 2HH1 ARG 18 HH12 ARG 18 -6.542 9.811 -11.935 142 1HH2 ARG 18 HH21 ARG 18 -3.165 10.011 -12.683 143 2HH2 ARG 18 HH22 ARG 18 -4.670 10.867 -12.620 144 NH1 ARG 19 NH1 ARG 19 -6.994 5.780 -16.498 145 NH2 ARG 19 NH2 ARG 19 -8.907 5.944 -17.689 146 H ARG 19 HN ARG 19 -5.536 4.168 -12.425 147 HA ARG 19 HA ARG 19 -7.952 4.989 -11.334 148 1HB ARG 19 HB2 ARG 19 -7.716 5.420 -13.627 149 2HB ARG 19 HB1 ARG 19 -7.236 3.761 -13.983 150 1HG ARG 19 HG2 ARG 19 -9.448 2.951 -13.784 151 2HG ARG 19 HG1 ARG 19 -9.986 4.388 -12.913 152 1HD ARG 19 HD2 ARG 19 -10.707 4.267 -15.347 153 2HD ARG 19 HD1 ARG 19 -9.852 5.740 -14.890 154 HE ARG 19 HE ARG 19 -8.427 3.471 -16.217 155 1HH1 ARG 19 HH11 ARG 19 -6.457 5.342 -15.777 156 2HH1 ARG 19 HH12 ARG 19 -6.601 6.531 -17.027 157 1HH2 ARG 19 HH21 ARG 19 -9.838 5.630 -17.881 158 2HH2 ARG 19 HH22 ARG 19 -8.513 6.695 -18.218 159 H ILE 20 HN ILE 20 -6.871 1.700 -12.079 160 HA ILE 20 HA ILE 20 -9.396 0.412 -11.674 161 HB ILE 20 HB ILE 20 -6.536 -0.440 -11.757 162 1HG1 ILE 20 HG12 ILE 20 -7.472 -2.022 -13.422 163 2HG1 ILE 20 HG11 ILE 20 -9.094 -1.441 -13.053 164 1HG2 ILE 20 HG22 ILE 20 -8.758 -2.041 -10.470 165 2HG2 ILE 20 HG21 ILE 20 -7.363 -2.815 -11.219 166 3HG2 ILE 20 HG23 ILE 20 -7.133 -1.731 -9.849 167 1HD1 ILE 20 HD12 ILE 20 -6.830 0.281 -14.105 168 2HD1 ILE 20 HD11 ILE 20 -8.155 -0.353 -15.079 169 3HD1 ILE 20 HD13 ILE 20 -8.483 0.814 -13.800 170 H VAL 21 HN VAL 21 -6.659 0.912 -9.418 171 HA VAL 21 HA VAL 21 -8.091 -0.270 -7.205 172 HB VAL 21 HB VAL 21 -6.109 1.455 -6.174 173 1HG1 VAL 21 HG12 VAL 21 -6.117 -1.493 -6.880 174 2HG1 VAL 21 HG11 VAL 21 -4.911 -0.724 -5.849 175 3HG1 VAL 21 HG13 VAL 21 -6.601 -0.779 -5.343 176 1HG2 VAL 21 HG23 VAL 21 -5.368 1.760 -8.526 177 2HG2 VAL 21 HG22 VAL 21 -4.170 0.889 -7.571 178 3HG2 VAL 21 HG21 VAL 21 -5.213 0.012 -8.690 179 NH1 ARG 22 NH2 ARG 22 -11.439 8.012 -7.281 180 NH2 ARG 22 NH1 ARG 22 -10.538 9.024 -9.089 181 H ARG 22 HN ARG 22 -7.737 3.030 -8.409 182 HA ARG 22 HA ARG 22 -8.611 4.534 -6.220 183 1HB ARG 22 HB2 ARG 22 -8.671 4.811 -9.134 184 2HB ARG 22 HB1 ARG 22 -10.002 5.651 -8.345 185 1HG ARG 22 HG2 ARG 22 -7.147 5.932 -7.390 186 2HG ARG 22 HG1 ARG 22 -7.821 6.978 -8.640 187 1HD ARG 22 HD2 ARG 22 -9.547 6.683 -6.272 188 2HD ARG 22 HD1 ARG 22 -8.001 7.466 -5.943 189 HE ARG 22 HE ARG 22 -8.681 9.298 -7.301 190 1HH1 ARG 22 HH21 ARG 22 -11.337 7.616 -6.368 191 2HH1 ARG 22 HH22 ARG 22 -12.338 8.029 -7.720 192 1HH2 ARG 22 HH11 ARG 22 -9.743 9.404 -9.562 193 2HH2 ARG 22 HH12 ARG 22 -11.436 9.041 -9.527 194 H ASN 23 HN ASN 23 -10.690 3.028 -8.701 195 HA ASN 23 HA ASN 23 -13.169 3.631 -7.411 196 1HB ASN 23 HB2 ASN 23 -12.278 2.562 -9.803 197 2HB ASN 23 HB1 ASN 23 -13.066 1.214 -9.030 198 1HD2 ASN 23 HD22 ASN 23 -16.183 2.444 -10.128 199 2HD2 ASN 23 HD21 ASN 23 -15.122 1.123 -10.014 200 H LEU 24 HN LEU 24 -11.435 0.569 -7.800 201 HA LEU 24 HA LEU 24 -12.912 -1.155 -6.274 202 1HB LEU 24 HB2 LEU 24 -10.694 -1.566 -7.460 203 2HB LEU 24 HB1 LEU 24 -9.908 -0.966 -6.017 204 HG LEU 24 HG LEU 24 -11.953 -3.072 -5.537 205 1HD1 LEU 24 HD11 LEU 24 -9.422 -3.638 -7.095 206 2HD1 LEU 24 HD13 LEU 24 -10.385 -4.880 -6.292 207 3HD1 LEU 24 HD12 LEU 24 -11.081 -3.940 -7.611 208 1HD2 LEU 24 HD22 LEU 24 -9.506 -2.122 -4.283 209 2HD2 LEU 24 HD21 LEU 24 -10.748 -3.177 -3.633 210 3HD2 LEU 24 HD23 LEU 24 -9.422 -3.854 -4.563 211 H LEU 25 HN LEU 25 -10.847 1.423 -4.991 212 HA LEU 25 HA LEU 25 -11.246 0.572 -2.209 213 1HB LEU 25 HB2 LEU 25 -9.911 2.869 -3.586 214 2HB LEU 25 HB1 LEU 25 -10.399 3.091 -1.909 215 HG LEU 25 HG LEU 25 -8.776 0.714 -2.857 216 1HD1 LEU 25 HD13 LEU 25 -7.971 3.475 -2.419 217 2HD1 LEU 25 HD12 LEU 25 -7.140 2.378 -1.317 218 3HD1 LEU 25 HD11 LEU 25 -7.033 2.127 -3.059 219 1HD2 LEU 25 HD23 LEU 25 -10.070 1.407 -0.384 220 2HD2 LEU 25 HD22 LEU 25 -9.096 -0.014 -0.749 221 3HD2 LEU 25 HD21 LEU 25 -8.325 1.448 -0.136 222 H LYS 26 HN LYS 26 -12.546 3.053 -4.391 223 HA LYS 26 HA LYS 26 -14.249 4.335 -2.541 224 1HB LYS 26 HB2 LYS 26 -13.802 5.220 -4.800 225 2HB LYS 26 HB1 LYS 26 -14.689 3.870 -5.502 226 1HG LYS 26 HG2 LYS 26 -16.164 5.357 -3.416 227 2HG LYS 26 HG1 LYS 26 -15.807 6.296 -4.863 228 1HD LYS 26 HD2 LYS 26 -16.933 3.522 -5.162 229 2HD LYS 26 HD1 LYS 26 -18.008 4.853 -4.741 230 1HE LYS 26 HE2 LYS 26 -17.575 4.285 -7.273 231 2HE LYS 26 HE1 LYS 26 -17.652 5.967 -6.752 232 1HZ LYS 26 HZ1 LYS 26 -15.110 5.594 -6.378 233 2HZ LYS 26 HZ3 LYS 26 -15.323 4.362 -7.523 234 3HZ LYS 26 HZ2 LYS 26 -15.712 5.967 -7.922 235 H GLU 27 HN GLU 27 -14.630 1.370 -4.415 236 HA GLU 27 HA GLU 27 -17.372 0.909 -4.066 237 1HB GLU 27 HB2 GLU 27 -15.460 -0.497 -5.258 238 2HB GLU 27 HB1 GLU 27 -15.462 -1.372 -3.727 239 1HG GLU 27 HG2 GLU 27 -17.900 -0.887 -5.470 240 2HG GLU 27 HG1 GLU 27 -17.010 -2.407 -5.359 241 H LEU 28 HN LEU 28 -14.735 0.663 -1.775 242 HA LEU 28 HA LEU 28 -16.437 -0.677 0.227 243 1HB LEU 28 HB2 LEU 28 -13.562 0.009 -0.047 244 2HB LEU 28 HB1 LEU 28 -14.200 0.002 1.597 245 HG LEU 28 HG LEU 28 -14.838 -2.289 -0.242 246 1HD1 LEU 28 HD12 LEU 28 -12.198 -1.634 1.000 247 2HD1 LEU 28 HD11 LEU 28 -12.730 -3.315 1.018 248 3HD1 LEU 28 HD13 LEU 28 -12.550 -2.464 -0.515 249 1HD2 LEU 28 HD23 LEU 28 -15.766 -1.813 2.166 250 2HD2 LEU 28 HD22 LEU 28 -15.233 -3.446 1.763 251 3HD2 LEU 28 HD21 LEU 28 -14.182 -2.381 2.697 252 H GLY 29 HN GLY 29 -15.799 2.512 -0.778 253 1HA GLY 29 HA2 GLY 29 -17.181 4.308 0.105 254 2HA GLY 29 HA1 GLY 29 -17.078 3.541 1.675 255 H PHE 30 HN PHE 30 -14.089 3.617 -0.024 256 HA PHE 30 HA PHE 30 -13.095 5.610 1.926 257 1HB PHE 30 HB2 PHE 30 -11.709 3.854 -0.124 258 2HB PHE 30 HB1 PHE 30 -10.855 5.046 0.850 259 HD1 PHE 30 HD2 PHE 30 -10.992 4.854 3.402 260 HD2 PHE 30 HD1 PHE 30 -12.236 1.738 0.740 261 HE1 PHE 30 HE2 PHE 30 -10.815 3.201 5.244 262 HE2 PHE 30 HE1 PHE 30 -12.078 0.086 2.585 263 HZ PHE 30 HZ PHE 30 -11.368 0.822 4.840 264 H ASN 31 HN ASN 31 -12.842 7.743 1.365 265 HA ASN 31 HA ASN 31 -12.623 8.434 -1.534 266 1HB ASN 31 HB2 ASN 31 -14.552 9.368 0.531 267 2HB ASN 31 HB1 ASN 31 -13.929 10.580 -0.580 268 1HD2 ASN 31 HD22 ASN 31 -16.540 7.769 -1.925 269 2HD2 ASN 31 HD21 ASN 31 -15.974 7.740 -0.324 270 H ASN 32 HN ASN 32 -10.267 8.340 -0.631 271 HA ASN 32 HA ASN 32 -9.292 11.023 -0.415 272 1HB ASN 32 HB2 ASN 32 -10.180 9.993 2.033 273 2HB ASN 32 HB1 ASN 32 -8.436 9.768 2.078 274 1HD2 ASN 32 HD21 ASN 32 -7.607 12.027 0.550 275 2HD2 ASN 32 HD22 ASN 32 -8.027 13.438 1.395 276 H VAL 33 HN VAL 33 -7.979 10.185 -2.120 277 HA VAL 33 HA VAL 33 -5.714 8.480 -1.180 278 HB VAL 33 HB VAL 33 -7.207 8.098 -3.791 279 1HG1 VAL 33 HG13 VAL 33 -4.950 6.542 -2.497 280 2HG1 VAL 33 HG12 VAL 33 -5.795 6.066 -3.966 281 3HG1 VAL 33 HG11 VAL 33 -4.826 7.537 -3.945 282 1HG2 VAL 33 HG21 VAL 33 -7.445 6.826 -1.106 283 2HG2 VAL 33 HG23 VAL 33 -8.680 7.104 -2.329 284 3HG2 VAL 33 HG22 VAL 33 -7.542 5.770 -2.511 285 H GLU 34 HN GLU 34 -3.744 8.818 -2.346 286 HA GLU 34 HA GLU 34 -3.765 11.104 -4.282 287 1HB GLU 34 HB2 GLU 34 -1.806 10.557 -2.032 288 2HB GLU 34 HB1 GLU 34 -1.506 11.715 -3.325 289 1HG GLU 34 HG2 GLU 34 -3.990 12.508 -2.504 290 2HG GLU 34 HG1 GLU 34 -3.318 11.919 -0.988 291 H GLU 35 HN GLU 35 -1.201 10.935 -5.224 292 HA GLU 35 HA GLU 35 -0.670 8.067 -5.757 293 1HB GLU 35 HB2 GLU 35 -2.364 9.328 -7.439 294 2HB GLU 35 HB1 GLU 35 -0.829 9.769 -8.186 295 1HG GLU 35 HG2 GLU 35 -0.178 7.391 -8.272 296 2HG GLU 35 HG1 GLU 35 -1.709 6.943 -7.520 297 H ALA 36 HN ALA 36 1.330 7.705 -6.899 298 HA ALA 36 HA ALA 36 3.177 9.988 -7.188 299 1HB ALA 36 HB2 ALA 36 3.144 8.303 -4.860 300 2HB ALA 36 HB1 ALA 36 4.630 8.002 -5.760 301 3HB ALA 36 HB3 ALA 36 4.233 9.637 -5.228 302 H GLU 37 HN GLU 37 5.509 8.663 -7.667 303 HA GLU 37 HA GLU 37 4.871 6.439 -9.545 304 1HB GLU 37 HB2 GLU 37 6.478 7.560 -11.190 305 2HB GLU 37 HB1 GLU 37 4.895 8.320 -11.015 306 1HG GLU 37 HG2 GLU 37 5.748 10.086 -9.713 307 2HG GLU 37 HG1 GLU 37 7.219 9.199 -9.313 308 H ASP 38 HN ASP 38 6.536 7.269 -6.923 309 HA ASP 38 HA ASP 38 8.340 5.137 -6.919 310 1HB ASP 38 HB2 ASP 38 10.502 6.654 -7.202 311 2HB ASP 38 HB1 ASP 38 9.750 5.906 -8.610 312 H GLY 39 HN GLY 39 10.432 6.043 -5.365 313 1HA GLY 39 HA2 GLY 39 9.003 6.861 -2.973 314 2HA GLY 39 HA1 GLY 39 10.745 6.603 -3.075 315 H VAL 40 HN VAL 40 11.220 8.454 -5.236 316 HA VAL 40 HA VAL 40 11.609 10.865 -3.827 317 HB VAL 40 HB VAL 40 11.128 10.523 -6.806 318 1HG1 VAL 40 HG12 VAL 40 12.258 12.754 -5.116 319 2HG1 VAL 40 HG11 VAL 40 12.679 12.589 -6.821 320 3HG1 VAL 40 HG13 VAL 40 10.999 12.842 -6.347 321 1HG2 VAL 40 HG23 VAL 40 13.141 9.423 -5.227 322 2HG2 VAL 40 HG22 VAL 40 13.221 9.675 -6.971 323 3HG2 VAL 40 HG21 VAL 40 13.876 10.891 -5.873 324 H ASP 41 HN ASP 41 8.903 9.756 -5.812 325 HA ASP 41 HA ASP 41 7.377 12.219 -5.449 326 1HB ASP 41 HB2 ASP 41 7.244 10.546 -7.400 327 2HB ASP 41 HB1 ASP 41 6.283 9.551 -6.318 328 H ALA 42 HN ALA 42 7.057 8.850 -4.245 329 HA ALA 42 HA ALA 42 4.840 9.413 -2.524 330 1HB ALA 42 HB3 ALA 42 6.131 7.145 -3.251 331 2HB ALA 42 HB2 ALA 42 6.793 7.365 -1.630 332 3HB ALA 42 HB1 ALA 42 5.049 7.233 -1.860 333 H LEU 43 HN LEU 43 8.283 8.973 -1.643 334 HA LEU 43 HA LEU 43 8.208 9.741 1.015 335 1HB LEU 43 HB2 LEU 43 10.270 9.049 -0.228 336 2HB LEU 43 HB1 LEU 43 10.311 10.642 -0.979 337 HG LEU 43 HG LEU 43 10.467 11.682 1.275 338 1HD1 LEU 43 HD13 LEU 43 10.154 8.828 2.084 339 2HD1 LEU 43 HD12 LEU 43 11.265 9.816 3.032 340 3HD1 LEU 43 HD11 LEU 43 9.574 10.293 2.878 341 1HD2 LEU 43 HD22 LEU 43 12.487 9.732 0.244 342 2HD2 LEU 43 HD21 LEU 43 12.594 11.487 0.384 343 3HD2 LEU 43 HD23 LEU 43 12.780 10.475 1.816 344 H ASN 44 HN ASN 44 8.542 11.980 -1.777 345 HA ASN 44 HA ASN 44 8.401 14.351 -0.150 346 1HB ASN 44 HB2 ASN 44 7.977 13.786 -3.079 347 2HB ASN 44 HB1 ASN 44 7.670 15.390 -2.417 348 1HD2 ASN 44 HD22 ASN 44 11.390 14.591 -3.386 349 2HD2 ASN 44 HD21 ASN 44 9.998 13.922 -4.092 350 H LYS 45 HN LYS 45 5.967 12.374 -1.772 351 HA LYS 45 HA LYS 45 3.816 14.223 -0.960 352 1HB LYS 45 HB2 LYS 45 3.788 11.599 -2.474 353 2HB LYS 45 HB1 LYS 45 2.341 12.538 -2.116 354 1HG LYS 45 HG2 LYS 45 4.739 13.586 -3.656 355 2HG LYS 45 HG1 LYS 45 3.256 12.996 -4.401 356 1HD LYS 45 HD2 LYS 45 2.177 14.774 -2.689 357 2HD LYS 45 HD1 LYS 45 3.754 15.530 -2.914 358 1HE LYS 45 HE2 LYS 45 1.668 14.896 -5.002 359 2HE LYS 45 HE1 LYS 45 2.410 16.452 -4.633 360 1HZ LYS 45 HZ3 LYS 45 4.031 14.172 -5.573 361 2HZ LYS 45 HZ2 LYS 45 3.231 15.190 -6.673 362 3HZ LYS 45 HZ1 LYS 45 4.401 15.827 -5.618 363 H LEU 46 HN LEU 46 5.543 12.104 0.770 364 HA LEU 46 HA LEU 46 3.288 10.675 2.038 365 1HB LEU 46 HB2 LEU 46 6.025 10.147 1.771 366 2HB LEU 46 HB1 LEU 46 5.828 10.564 3.470 367 HG LEU 46 HG LEU 46 5.511 8.163 3.198 368 1HD1 LEU 46 HD13 LEU 46 3.717 9.863 4.447 369 2HD1 LEU 46 HD12 LEU 46 2.671 8.827 3.476 370 3HD1 LEU 46 HD11 LEU 46 3.776 8.113 4.648 371 1HD2 LEU 46 HD22 LEU 46 4.247 8.961 0.769 372 2HD2 LEU 46 HD21 LEU 46 4.574 7.322 1.334 373 3HD2 LEU 46 HD23 LEU 46 3.048 8.105 1.739 374 H GLN 47 HN GLN 47 5.659 13.198 2.885 375 HA GLN 47 HA GLN 47 4.658 13.628 5.542 376 1HB GLN 47 HB2 GLN 47 6.177 15.431 3.638 377 2HB GLN 47 HB1 GLN 47 5.818 15.865 5.310 378 1HG GLN 47 HG2 GLN 47 7.196 14.182 6.180 379 2HG GLN 47 HG1 GLN 47 7.150 13.240 4.689 380 1HE2 GLN 47 HE22 GLN 47 10.199 14.649 3.660 381 2HE2 GLN 47 HE21 GLN 47 9.210 13.273 3.780 382 H ALA 48 HN ALA 48 3.063 13.970 2.703 383 HA ALA 48 HA ALA 48 1.854 16.449 2.591 384 1HB ALA 48 HB2 ALA 48 1.393 14.126 1.328 385 2HB ALA 48 HB1 ALA 48 0.004 14.123 2.413 386 3HB ALA 48 HB3 ALA 48 0.242 15.460 1.289 387 H GLY 49 HN GLY 49 0.240 13.751 4.323 388 1HA GLY 49 HA2 GLY 49 -0.325 15.598 6.573 389 2HA GLY 49 HA1 GLY 49 -1.716 14.936 5.714 390 H GLY 50 HN GLY 50 0.863 12.754 5.684 391 1HA GLY 50 HA2 GLY 50 1.422 10.932 7.113 392 2HA GLY 50 HA1 GLY 50 0.236 11.518 8.280 393 OH TYR 51 OH TYR 51 -1.115 11.866 -0.220 394 H TYR 51 HN TYR 51 0.664 9.641 5.341 395 HA TYR 51 HA TYR 51 -2.125 8.992 4.979 396 1HB TYR 51 HB2 TYR 51 0.458 7.753 4.018 397 2HB TYR 51 HB1 TYR 51 -1.111 7.077 3.605 398 HD1 TYR 51 HD1 TYR 51 0.823 10.245 3.554 399 HD2 TYR 51 HD2 TYR 51 -2.344 7.954 1.783 400 HE1 TYR 51 HE1 TYR 51 0.599 11.947 1.776 401 HE2 TYR 51 HE2 TYR 51 -2.570 9.661 -0.005 402 HH TYR 51 HH TYR 51 -1.162 12.728 0.199 403 H GLY 52 HN GLY 52 -3.302 7.334 5.894 404 1HA GLY 52 HA2 GLY 52 -2.009 5.849 8.095 405 2HA GLY 52 HA1 GLY 52 -3.731 5.888 7.757 406 H PHE 53 HN PHE 53 -2.487 5.489 4.824 407 HA PHE 53 HA PHE 53 -1.928 2.589 4.985 408 1HB PHE 53 HB2 PHE 53 -4.522 3.549 4.616 409 2HB PHE 53 HB1 PHE 53 -3.973 3.179 2.986 410 HD1 PHE 53 HD2 PHE 53 -4.286 1.750 6.420 411 HD2 PHE 53 HD1 PHE 53 -3.857 0.943 2.237 412 HE1 PHE 53 HE2 PHE 53 -4.755 -0.633 6.831 413 HE2 PHE 53 HE1 PHE 53 -4.343 -1.434 2.632 414 HZ PHE 53 HZ PHE 53 -4.784 -2.245 4.940 415 H VAL 54 HN VAL 54 -0.519 2.022 3.301 416 HA VAL 54 HA VAL 54 -0.339 3.948 1.005 417 HB VAL 54 HB VAL 54 2.009 2.749 2.502 418 1HG1 VAL 54 HG11 VAL 54 1.683 3.862 -0.207 419 2HG1 VAL 54 HG13 VAL 54 2.961 4.640 0.726 420 3HG1 VAL 54 HG12 VAL 54 3.003 2.899 0.457 421 1HG2 VAL 54 HG21 VAL 54 0.848 5.536 2.246 422 2HG2 VAL 54 HG23 VAL 54 1.205 4.639 3.722 423 3HG2 VAL 54 HG22 VAL 54 2.522 5.266 2.731 424 H ILE 55 HN ILE 55 -0.822 2.900 -0.787 425 HA ILE 55 HA ILE 55 -0.394 -0.029 -0.933 426 HB ILE 55 HB ILE 55 -1.754 1.768 -2.953 427 1HG1 ILE 55 HG12 ILE 55 -2.839 0.378 -0.495 428 2HG1 ILE 55 HG11 ILE 55 -2.990 2.082 -0.932 429 1HG2 ILE 55 HG22 ILE 55 -0.971 -0.644 -3.498 430 2HG2 ILE 55 HG21 ILE 55 -2.266 -1.152 -2.414 431 3HG2 ILE 55 HG23 ILE 55 -2.642 -0.221 -3.863 432 1HD1 ILE 55 HD13 ILE 55 -4.131 1.021 -3.111 433 2HD1 ILE 55 HD12 ILE 55 -4.484 -0.281 -1.976 434 3HD1 ILE 55 HD11 ILE 55 -5.057 1.352 -1.649 435 H SER 56 HN SER 56 1.822 -0.204 -1.337 436 HA SER 56 HA SER 56 2.880 1.193 -3.757 437 1HB SER 56 HB2 SER 56 5.089 0.758 -2.872 438 2HB SER 56 HB1 SER 56 4.121 1.451 -1.574 439 HG SER 56 HG SER 56 3.795 -1.205 -1.618 440 H ASP 57 HN ASP 57 3.327 -0.034 -5.544 441 HA ASP 57 HA ASP 57 2.876 -2.967 -5.314 442 1HB ASP 57 HB2 ASP 57 2.691 -2.879 -7.794 443 2HB ASP 57 HB1 ASP 57 1.541 -1.802 -7.002 444 CH2 TRP 58 CH2 TRP 58 9.740 -6.891 -1.367 445 H TRP 58 HN TRP 58 4.653 -4.282 -5.302 446 HA TRP 58 HA TRP 58 7.324 -3.495 -5.353 447 1HB TRP 58 HB2 TRP 58 6.062 -5.889 -5.115 448 2HB TRP 58 HB1 TRP 58 6.737 -6.070 -6.730 449 HD1 TRP 58 HD1 TRP 58 9.456 -5.639 -6.930 450 HE1 TRP 58 HE1 TRP 58 11.314 -6.258 -5.254 451 HE3 TRP 58 HE3 TRP 58 6.671 -6.184 -2.681 452 HZ2 TRP 58 HZ2 TRP 58 11.584 -6.906 -2.479 453 HZ3 TRP 58 HZ3 TRP 58 7.757 -6.799 -0.537 454 HH2 TRP 58 HH2 TRP 58 10.206 -7.161 -0.428 455 H ASN 59 HN ASN 59 7.858 -1.974 -6.947 456 HA ASN 59 HA ASN 59 7.255 -2.607 -9.769 457 1HB ASN 59 HB2 ASN 59 8.550 -0.173 -8.519 458 2HB ASN 59 HB1 ASN 59 8.079 -0.329 -10.213 459 1HD2 ASN 59 HD22 ASN 59 5.350 1.052 -7.750 460 2HD2 ASN 59 HD21 ASN 59 7.031 1.205 -7.576 461 H MET 60 HN MET 60 9.640 -1.098 -10.729 462 HA MET 60 HA MET 60 11.708 -3.210 -10.261 463 1HB MET 60 HB2 MET 60 10.320 -2.640 -12.617 464 2HB MET 60 HB1 MET 60 11.932 -1.964 -12.853 465 1HG MET 60 HG2 MET 60 11.984 -4.277 -13.567 466 2HG MET 60 HG1 MET 60 12.890 -4.150 -12.059 467 1HE MET 60 HE3 MET 60 12.204 -6.702 -13.090 468 2HE MET 60 HE2 MET 60 10.822 -7.585 -12.447 469 3HE MET 60 HE1 MET 60 10.602 -6.491 -13.810 470 HA PRO 61 HA PRO 61 14.002 0.956 -11.294 471 1HB PRO 61 HB2 PRO 61 12.636 2.994 -9.777 472 2HB PRO 61 HB1 PRO 61 12.945 2.947 -11.518 473 1HG PRO 61 HG2 PRO 61 10.432 2.595 -10.210 474 2HG PRO 61 HG1 PRO 61 10.772 2.414 -11.935 475 1HD PRO 61 HD2 PRO 61 10.264 0.359 -9.958 476 2HD PRO 61 HD1 PRO 61 10.406 0.170 -11.718 477 H ASN 62 HN ASN 62 15.457 2.108 -9.753 478 HA ASN 62 HA ASN 62 16.340 0.624 -7.614 479 1HB ASN 62 HB2 ASN 62 16.700 3.268 -6.734 480 2HB ASN 62 HB1 ASN 62 17.831 2.313 -7.694 481 1HD2 ASN 62 HD22 ASN 62 15.246 4.649 -9.891 482 2HD2 ASN 62 HD21 ASN 62 14.642 3.761 -8.576 483 H MET 63 HN MET 63 14.280 3.519 -7.146 484 HA MET 63 HA MET 63 13.562 2.623 -4.456 485 1HB MET 63 HB2 MET 63 12.133 4.800 -5.974 486 2HB MET 63 HB1 MET 63 12.449 4.684 -4.243 487 1HG MET 63 HG2 MET 63 14.993 4.679 -5.198 488 2HG MET 63 HG1 MET 63 14.198 5.675 -6.418 489 1HE MET 63 HE2 MET 63 16.409 6.808 -5.005 490 2HE MET 63 HE1 MET 63 16.164 7.765 -3.546 491 3HE MET 63 HE3 MET 63 16.276 6.002 -3.444 492 H ASP 64 HN ASP 64 12.862 0.543 -5.949 493 HA ASP 64 HA ASP 64 10.479 0.439 -7.366 494 1HB ASP 64 HB2 ASP 64 10.213 -1.860 -6.030 495 2HB ASP 64 HB1 ASP 64 11.470 -1.644 -7.249 496 H GLY 65 HN GLY 65 10.088 -1.038 -4.227 497 1HA GLY 65 HA2 GLY 65 8.175 1.045 -3.377 498 2HA GLY 65 HA1 GLY 65 7.506 -0.550 -3.679 499 H LEU 66 HN LEU 66 10.141 -1.771 -2.707 500 HA LEU 66 HA LEU 66 9.317 -2.050 0.052 501 1HB LEU 66 HB2 LEU 66 10.774 -3.650 -1.537 502 2HB LEU 66 HB1 LEU 66 12.095 -2.802 -0.731 503 HG LEU 66 HG LEU 66 9.832 -4.304 0.625 504 1HD1 LEU 66 HD12 LEU 66 11.871 -5.515 -0.475 505 2HD1 LEU 66 HD11 LEU 66 12.775 -4.864 0.892 506 3HD1 LEU 66 HD13 LEU 66 11.410 -5.945 1.172 507 1HD2 LEU 66 HD22 LEU 66 12.015 -2.504 1.674 508 2HD2 LEU 66 HD21 LEU 66 10.305 -2.522 2.100 509 3HD2 LEU 66 HD23 LEU 66 11.370 -3.804 2.672 510 H GLU 67 HN GLU 67 12.303 -0.679 -1.395 511 HA GLU 67 HA GLU 67 13.415 0.466 0.896 512 1HB GLU 67 HB2 GLU 67 13.633 0.879 -1.964 513 2HB GLU 67 HB1 GLU 67 13.704 2.426 -1.119 514 1HG GLU 67 HG2 GLU 67 15.475 1.552 0.354 515 2HG GLU 67 HG1 GLU 67 15.400 -0.004 -0.473 516 H LEU 68 HN LEU 68 10.681 1.535 -1.027 517 HA LEU 68 HA LEU 68 10.338 4.116 0.201 518 1HB LEU 68 HB2 LEU 68 8.734 2.272 -1.491 519 2HB LEU 68 HB1 LEU 68 7.806 3.376 -0.496 520 HG LEU 68 HG LEU 68 9.186 5.259 -1.407 521 1HD1 LEU 68 HD13 LEU 68 10.391 2.962 -2.899 522 2HD1 LEU 68 HD12 LEU 68 10.162 4.469 -3.776 523 3HD1 LEU 68 HD11 LEU 68 11.147 4.441 -2.312 524 1HD2 LEU 68 HD22 LEU 68 7.333 3.539 -2.996 525 2HD2 LEU 68 HD21 LEU 68 7.125 5.198 -2.444 526 3HD2 LEU 68 HD23 LEU 68 8.143 4.855 -3.840 527 H LEU 69 HN LEU 69 9.058 0.889 0.843 528 HA LEU 69 HA LEU 69 7.395 1.669 3.049 529 1HB LEU 69 HB2 LEU 69 6.694 -0.366 2.305 530 2HB LEU 69 HB1 LEU 69 8.292 -0.821 1.744 531 HG LEU 69 HG LEU 69 8.945 -1.386 4.063 532 1HD1 LEU 69 HD13 LEU 69 6.858 0.260 4.818 533 2HD1 LEU 69 HD12 LEU 69 6.171 -1.336 5.035 534 3HD1 LEU 69 HD11 LEU 69 7.653 -0.894 5.873 535 1HD2 LEU 69 HD23 LEU 69 6.349 -2.622 3.123 536 2HD2 LEU 69 HD22 LEU 69 7.969 -3.114 2.636 537 3HD2 LEU 69 HD21 LEU 69 7.446 -3.333 4.300 538 H LYS 70 HN LYS 70 10.684 0.290 2.864 539 HA LYS 70 HA LYS 70 11.141 0.099 5.660 540 1HB LYS 70 HB2 LYS 70 12.649 -0.845 3.898 541 2HB LYS 70 HB1 LYS 70 13.176 0.795 3.519 542 1HG LYS 70 HG2 LYS 70 14.182 1.083 5.651 543 2HG LYS 70 HG1 LYS 70 13.349 -0.319 6.322 544 1HD LYS 70 HD2 LYS 70 15.035 -0.880 3.957 545 2HD LYS 70 HD1 LYS 70 15.914 -0.384 5.403 546 1HE LYS 70 HE2 LYS 70 14.821 -2.136 6.712 547 2HE LYS 70 HE1 LYS 70 13.852 -2.604 5.314 548 1HZ LYS 70 HZ1 LYS 70 16.661 -2.526 4.752 549 2HZ LYS 70 HZ3 LYS 70 16.277 -3.630 5.981 550 3HZ LYS 70 HZ2 LYS 70 15.531 -3.760 4.460 551 H THR 71 HN THR 71 11.276 2.830 3.448 552 HA THR 71 HA THR 71 12.601 4.654 5.236 553 HB THR 71 HB THR 71 10.784 5.031 2.851 554 HG1 THR 71 HG1 THR 71 13.072 6.158 2.499 555 1HG2 THR 71 HG22 THR 71 11.791 7.028 4.835 556 2HG2 THR 71 HG21 THR 71 11.767 7.483 3.131 557 3HG2 THR 71 HG23 THR 71 10.272 7.006 3.939 558 H ILE 72 HN ILE 72 9.175 3.920 4.599 559 HA ILE 72 HA ILE 72 8.047 5.876 6.329 560 HB ILE 72 HB ILE 72 7.127 3.178 5.353 561 1HG1 ILE 72 HG12 ILE 72 5.563 5.680 4.999 562 2HG1 ILE 72 HG11 ILE 72 7.127 5.632 4.184 563 1HG2 ILE 72 HG23 ILE 72 5.878 4.939 7.458 564 2HG2 ILE 72 HG22 ILE 72 4.872 3.930 6.416 565 3HG2 ILE 72 HG21 ILE 72 6.080 3.186 7.464 566 1HD1 ILE 72 HD12 ILE 72 5.266 3.279 3.958 567 2HD1 ILE 72 HD11 ILE 72 5.004 4.702 2.950 568 3HD1 ILE 72 HD13 ILE 72 6.525 3.817 2.843 569 NH1 ARG 73 NH1 ARG 73 9.596 -1.496 13.547 570 NH2 ARG 73 NH2 ARG 73 10.490 0.409 14.373 571 H ARG 73 HN ARG 73 9.481 2.732 6.958 572 HA ARG 73 HA ARG 73 8.564 2.424 9.660 573 1HB ARG 73 HB2 ARG 73 9.849 0.787 7.992 574 2HB ARG 73 HB1 ARG 73 11.265 1.423 8.826 575 1HG ARG 73 HG2 ARG 73 8.859 0.186 10.207 576 2HG ARG 73 HG1 ARG 73 10.373 -0.656 9.885 577 1HD ARG 73 HD2 ARG 73 11.377 1.501 11.134 578 2HD ARG 73 HD1 ARG 73 9.780 1.477 11.882 579 HE ARG 73 HE ARG 73 11.700 -0.813 11.988 580 1HH1 ARG 73 HH11 ARG 73 9.486 -2.145 12.795 581 2HH1 ARG 73 HH12 ARG 73 9.128 -1.653 14.417 582 1HH2 ARG 73 HH21 ARG 73 11.066 1.217 14.254 583 2HH2 ARG 73 HH22 ARG 73 10.023 0.252 15.243 584 H ALA 74 HN ALA 74 11.196 4.226 8.194 585 HA ALA 74 HA ALA 74 12.775 4.729 10.500 586 1HB ALA 74 HB3 ALA 74 12.809 5.523 7.843 587 2HB ALA 74 HB2 ALA 74 12.517 7.031 8.709 588 3HB ALA 74 HB1 ALA 74 13.938 6.059 9.088 589 H ASP 75 HN ASP 75 9.679 5.971 9.536 590 HA ASP 75 HA ASP 75 9.429 8.425 10.765 591 1HB ASP 75 HB2 ASP 75 7.550 7.305 9.653 592 2HB ASP 75 HB1 ASP 75 7.455 6.131 10.965 593 H GLY 76 HN GLY 76 7.880 5.961 12.715 594 1HA GLY 76 HA2 GLY 76 9.461 5.455 14.851 595 2HA GLY 76 HA1 GLY 76 9.095 7.160 15.119 596 H ALA 77 HN ALA 77 7.022 7.737 15.823 597 HA ALA 77 HA ALA 77 5.515 5.932 17.342 598 1HB ALA 77 HB3 ALA 77 5.249 8.647 16.483 599 2HB ALA 77 HB2 ALA 77 3.700 7.842 16.231 600 3HB ALA 77 HB1 ALA 77 4.439 7.848 17.832 601 H MET 78 HN MET 78 5.608 6.339 13.915 602 HA MET 78 HA MET 78 3.283 4.472 13.607 603 1HB MET 78 HB2 MET 78 4.308 6.715 11.866 604 2HB MET 78 HB1 MET 78 3.310 5.424 11.198 605 1HG MET 78 HG2 MET 78 1.428 6.117 12.306 606 2HG MET 78 HG1 MET 78 2.335 6.674 13.712 607 1HE MET 78 HE3 MET 78 3.129 8.855 14.171 608 2HE MET 78 HE2 MET 78 2.329 10.255 13.464 609 3HE MET 78 HE1 MET 78 1.363 8.956 14.158 610 H SER 79 HN SER 79 5.985 3.660 14.199 611 HA SER 79 HA SER 79 7.423 2.908 11.834 612 1HB SER 79 HB2 SER 79 7.481 2.175 14.715 613 2HB SER 79 HB1 SER 79 8.199 1.021 13.596 614 HG SER 79 HG SER 79 9.836 2.324 13.538 615 H ALA 80 HN ALA 80 4.387 2.066 12.530 616 HA ALA 80 HA ALA 80 4.668 -0.591 11.204 617 1HB ALA 80 HB2 ALA 80 4.117 -0.475 13.837 618 2HB ALA 80 HB1 ALA 80 2.485 -0.264 13.202 619 3HB ALA 80 HB3 ALA 80 3.417 -1.701 12.780 620 H LEU 81 HN LEU 81 3.856 2.234 10.383 621 HA LEU 81 HA LEU 81 1.129 2.532 10.000 622 1HB LEU 81 HB2 LEU 81 3.151 3.977 9.204 623 2HB LEU 81 HB1 LEU 81 3.034 3.040 7.718 624 HG LEU 81 HG LEU 81 0.564 4.385 8.839 625 1HD1 LEU 81 HD13 LEU 81 2.886 5.826 8.028 626 2HD1 LEU 81 HD12 LEU 81 1.719 5.942 6.722 627 3HD1 LEU 81 HD11 LEU 81 1.272 6.456 8.347 628 1HD2 LEU 81 HD21 LEU 81 1.493 3.625 6.052 629 2HD2 LEU 81 HD23 LEU 81 0.263 2.794 6.996 630 3HD2 LEU 81 HD22 LEU 81 -0.031 4.429 6.419 631 HA PRO 82 HA PRO 82 0.272 -1.329 7.855 632 1HB PRO 82 HB2 PRO 82 -2.137 -0.301 6.693 633 2HB PRO 82 HB1 PRO 82 -1.970 -1.441 8.028 634 1HG PRO 82 HG2 PRO 82 -2.759 1.335 8.160 635 2HG PRO 82 HG1 PRO 82 -2.623 0.179 9.490 636 1HD PRO 82 HD2 PRO 82 -0.902 2.391 8.941 637 2HD PRO 82 HD1 PRO 82 -0.704 1.157 10.202 638 H VAL 83 HN VAL 83 1.459 -1.728 6.099 639 HA VAL 83 HA VAL 83 1.122 -0.008 3.671 640 HB VAL 83 HB VAL 83 3.457 -1.572 4.759 641 1HG1 VAL 83 HG12 VAL 83 2.753 -1.105 1.834 642 2HG1 VAL 83 HG11 VAL 83 4.424 -1.270 2.360 643 3HG1 VAL 83 HG13 VAL 83 3.297 -2.598 2.596 644 1HG2 VAL 83 HG21 VAL 83 2.928 1.045 4.729 645 2HG2 VAL 83 HG23 VAL 83 4.566 0.444 4.475 646 3HG2 VAL 83 HG22 VAL 83 3.577 0.916 3.094 647 H LEU 84 HN LEU 84 -0.139 -0.997 2.179 648 HA LEU 84 HA LEU 84 -0.270 -3.941 2.296 649 1HB LEU 84 HB2 LEU 84 -2.386 -2.612 2.263 650 2HB LEU 84 HB1 LEU 84 -1.950 -2.049 0.651 651 HG LEU 84 HG LEU 84 -1.866 -4.410 -0.123 652 1HD1 LEU 84 HD11 LEU 84 -2.434 -4.878 2.769 653 2HD1 LEU 84 HD13 LEU 84 -3.251 -5.925 1.612 654 3HD1 LEU 84 HD12 LEU 84 -1.490 -5.846 1.640 655 1HD2 LEU 84 HD22 LEU 84 -4.234 -2.982 0.865 656 2HD2 LEU 84 HD21 LEU 84 -3.930 -3.706 -0.713 657 3HD2 LEU 84 HD23 LEU 84 -4.487 -4.710 0.625 658 H MET 85 HN MET 85 1.919 -4.126 1.393 659 HA MET 85 HA MET 85 2.595 -3.095 -1.185 660 1HB MET 85 HB2 MET 85 3.609 -5.508 0.351 661 2HB MET 85 HB1 MET 85 4.289 -5.009 -1.193 662 1HG MET 85 HG2 MET 85 4.242 -2.662 0.356 663 2HG MET 85 HG1 MET 85 4.771 -3.934 1.456 664 1HE MET 85 HE2 MET 85 4.771 -2.860 -1.994 665 2HE MET 85 HE1 MET 85 6.307 -2.009 -2.101 666 3HE MET 85 HE3 MET 85 6.157 -3.655 -2.732 667 H VAL 86 HN VAL 86 1.269 -3.623 -2.988 668 HA VAL 86 HA VAL 86 0.191 -6.373 -3.097 669 HB VAL 86 HB VAL 86 -1.367 -5.640 -4.636 670 1HG1 VAL 86 HG11 VAL 86 -1.076 -4.160 -2.309 671 2HG1 VAL 86 HG13 VAL 86 -1.303 -2.947 -3.563 672 3HG1 VAL 86 HG12 VAL 86 -2.506 -4.211 -3.331 673 1HG2 VAL 86 HG21 VAL 86 0.594 -3.462 -5.267 674 2HG2 VAL 86 HG23 VAL 86 -0.096 -4.671 -6.352 675 3HG2 VAL 86 HG22 VAL 86 -1.092 -3.341 -5.764 676 H THR 87 HN THR 87 0.932 -7.884 -4.544 677 HA THR 87 HA THR 87 2.609 -6.950 -6.806 678 HB THR 87 HB THR 87 4.127 -7.238 -4.803 679 HG1 THR 87 HG1 THR 87 4.944 -9.223 -6.504 680 1HG2 THR 87 HG23 THR 87 2.640 -9.461 -4.307 681 2HG2 THR 87 HG22 THR 87 4.026 -10.174 -5.131 682 3HG2 THR 87 HG21 THR 87 4.267 -9.211 -3.674 683 H ALA 88 HN ALA 88 3.483 -9.024 -7.992 684 HA ALA 88 HA ALA 88 1.298 -11.069 -8.071 685 1HB ALA 88 HB3 ALA 88 1.750 -9.275 -10.051 686 2HB ALA 88 HB2 ALA 88 2.872 -10.548 -10.533 687 3HB ALA 88 HB1 ALA 88 1.154 -10.908 -10.351 688 H GLU 89 HN GLU 89 1.997 -13.217 -8.214 689 HA GLU 89 HA GLU 89 3.508 -15.019 -8.167 690 1HB GLU 89 HB2 GLU 89 4.504 -13.400 -10.117 691 2HB GLU 89 HB1 GLU 89 5.848 -13.388 -8.973 692 1HG GLU 89 HG2 GLU 89 5.820 -15.869 -8.936 693 2HG GLU 89 HG1 GLU 89 4.517 -15.859 -10.125 694 H ALA 90 HN ALA 90 3.079 -13.290 -5.887 695 HA ALA 90 HA ALA 90 5.285 -12.389 -4.475 696 1HB ALA 90 HB2 ALA 90 2.664 -12.949 -3.858 697 2HB ALA 90 HB1 ALA 90 3.541 -14.087 -2.834 698 3HB ALA 90 HB3 ALA 90 3.867 -12.358 -2.711 699 H LYS 91 HN LYS 91 7.155 -13.326 -3.781 700 HA LYS 91 HA LYS 91 7.543 -16.205 -4.144 701 1HB LYS 91 HB2 LYS 91 9.387 -14.034 -3.101 702 2HB LYS 91 HB1 LYS 91 9.869 -15.687 -3.460 703 1HG LYS 91 HG2 LYS 91 9.360 -15.420 -5.797 704 2HG LYS 91 HG1 LYS 91 8.600 -13.854 -5.502 705 1HD LYS 91 HD2 LYS 91 11.417 -14.165 -4.591 706 2HD LYS 91 HD1 LYS 91 11.150 -14.079 -6.334 707 1HE LYS 91 HE2 LYS 91 9.910 -12.088 -4.429 708 2HE LYS 91 HE1 LYS 91 11.515 -11.845 -5.119 709 1HZ LYS 91 HZ1 LYS 91 10.380 -12.274 -7.340 710 2HZ LYS 91 HZ3 LYS 91 8.918 -12.018 -6.517 711 3HZ LYS 91 HZ2 LYS 91 10.080 -10.780 -6.587 712 H LYS 92 HN LYS 92 9.527 -15.833 -1.713 713 HA LYS 92 HA LYS 92 7.591 -15.989 0.515 714 1HB LYS 92 HB2 LYS 92 8.311 -18.182 1.244 715 2HB LYS 92 HB1 LYS 92 7.812 -18.311 -0.439 716 1HG LYS 92 HG2 LYS 92 9.824 -19.335 -0.721 717 2HG LYS 92 HG1 LYS 92 10.450 -17.690 -0.752 718 1HD LYS 92 HD2 LYS 92 11.815 -18.634 0.875 719 2HD LYS 92 HD1 LYS 92 10.516 -18.011 1.887 720 1HE LYS 92 HE2 LYS 92 9.398 -20.296 1.619 721 2HE LYS 92 HE1 LYS 92 10.926 -20.852 0.934 722 1HZ LYS 92 HZ3 LYS 92 11.559 -19.466 3.242 723 2HZ LYS 92 HZ2 LYS 92 10.236 -20.451 3.646 724 3HZ LYS 92 HZ1 LYS 92 11.644 -21.141 2.993 725 H GLU 93 HN GLU 93 10.877 -15.781 -0.674 726 HA GLU 93 HA GLU 93 11.964 -15.325 1.991 727 1HB GLU 93 HB2 GLU 93 14.113 -14.988 0.768 728 2HB GLU 93 HB1 GLU 93 13.348 -16.533 0.396 729 1HG GLU 93 HG2 GLU 93 12.266 -14.664 -1.430 730 2HG GLU 93 HG1 GLU 93 14.004 -14.369 -1.396 731 H ASN 94 HN ASN 94 10.942 -13.453 -0.794 732 HA ASN 94 HA ASN 94 12.165 -10.980 0.169 733 1HB ASN 94 HB2 ASN 94 10.487 -11.801 -2.138 734 2HB ASN 94 HB1 ASN 94 10.319 -10.125 -1.616 735 1HD2 ASN 94 HD22 ASN 94 13.165 -9.424 -3.597 736 2HD2 ASN 94 HD21 ASN 94 11.508 -9.148 -3.350 737 H ILE 95 HN ILE 95 8.973 -12.494 0.298 738 HA ILE 95 HA ILE 95 7.580 -10.235 1.387 739 HB ILE 95 HB ILE 95 6.998 -13.183 1.833 740 1HG1 ILE 95 HG12 ILE 95 5.782 -11.375 -0.267 741 2HG1 ILE 95 HG11 ILE 95 7.215 -12.347 -0.601 742 1HG2 ILE 95 HG23 ILE 95 5.406 -10.639 2.168 743 2HG2 ILE 95 HG22 ILE 95 4.613 -12.196 1.936 744 3HG2 ILE 95 HG21 ILE 95 5.654 -11.937 3.335 745 1HD1 ILE 95 HD13 ILE 95 5.933 -14.378 0.136 746 2HD1 ILE 95 HD12 ILE 95 4.497 -13.364 0.271 747 3HD1 ILE 95 HD11 ILE 95 5.263 -13.606 -1.299 748 H ILE 96 HN ILE 96 10.101 -12.027 2.657 749 HA ILE 96 HA ILE 96 9.217 -11.839 5.469 750 HB ILE 96 HB ILE 96 11.616 -12.998 4.072 751 1HG1 ILE 96 HG12 ILE 96 9.810 -14.155 6.210 752 2HG1 ILE 96 HG11 ILE 96 9.437 -14.263 4.489 753 1HG2 ILE 96 HG23 ILE 96 11.362 -12.147 6.949 754 2HG2 ILE 96 HG22 ILE 96 12.349 -13.542 6.518 755 3HG2 ILE 96 HG21 ILE 96 12.732 -11.953 5.857 756 1HD1 ILE 96 HD11 ILE 96 12.193 -15.042 5.085 757 2HD1 ILE 96 HD13 ILE 96 11.010 -16.052 5.918 758 3HD1 ILE 96 HD12 ILE 96 10.960 -15.900 4.162 759 H ALA 97 HN ALA 97 12.043 -10.708 3.601 760 HA ALA 97 HA ALA 97 13.162 -8.935 5.421 761 1HB ALA 97 HB2 ALA 97 13.194 -9.257 2.551 762 2HB ALA 97 HB1 ALA 97 13.172 -7.542 2.962 763 3HB ALA 97 HB3 ALA 97 14.444 -8.585 3.599 764 H ALA 98 HN ALA 98 10.749 -7.962 2.976 765 HA ALA 98 HA ALA 98 10.222 -5.395 3.949 766 1HB ALA 98 HB2 ALA 98 9.160 -6.866 1.961 767 2HB ALA 98 HB1 ALA 98 7.859 -7.024 3.141 768 3HB ALA 98 HB3 ALA 98 8.361 -5.425 2.591 769 H ALA 99 HN ALA 99 8.884 -8.498 5.067 770 HA ALA 99 HA ALA 99 6.967 -7.626 6.870 771 1HB ALA 99 HB1 ALA 99 7.972 -10.036 6.340 772 2HB ALA 99 HB3 ALA 99 8.869 -9.723 7.826 773 3HB ALA 99 HB2 ALA 99 7.105 -9.718 7.843 774 H GLN 100 HN GLN 100 10.469 -7.939 7.498 775 HA GLN 100 HA GLN 100 10.448 -7.010 10.172 776 1HB GLN 100 HB2 GLN 100 12.536 -6.724 7.990 777 2HB GLN 100 HB1 GLN 100 12.824 -6.280 9.671 778 1HG GLN 100 HG2 GLN 100 13.219 -8.429 10.211 779 2HG GLN 100 HG1 GLN 100 11.646 -8.907 9.573 780 1HE2 GLN 100 HE22 GLN 100 14.914 -9.139 7.081 781 2HE2 GLN 100 HE21 GLN 100 14.940 -8.038 8.373 782 H ALA 101 HN ALA 101 10.129 -5.270 7.148 783 HA ALA 101 HA ALA 101 10.606 -2.647 8.352 784 1HB ALA 101 HB3 ALA 101 10.999 -3.036 5.929 785 2HB ALA 101 HB2 ALA 101 9.282 -3.354 5.709 786 3HB ALA 101 HB1 ALA 101 9.821 -1.752 6.192 787 H GLY 102 HN GLY 102 7.783 -2.684 6.448 788 1HA GLY 102 HA2 GLY 102 5.964 -2.806 8.747 789 2HA GLY 102 HA1 GLY 102 6.013 -1.293 7.847 790 H ALA 103 HN ALA 103 6.700 -3.972 5.971 791 HA ALA 103 HA ALA 103 4.571 -3.714 4.145 792 1HB ALA 103 HB3 ALA 103 6.785 -5.538 4.600 793 2HB ALA 103 HB2 ALA 103 5.391 -6.337 3.889 794 3HB ALA 103 HB1 ALA 103 6.119 -4.949 3.083 795 H SER 104 HN SER 104 4.060 -4.390 7.152 796 HA SER 104 HA SER 104 2.879 -6.672 7.855 797 1HB SER 104 HB2 SER 104 1.841 -3.876 8.118 798 2HB SER 104 HB1 SER 104 0.813 -5.205 8.644 799 HG SER 104 HG SER 104 2.793 -5.930 9.803 800 H GLY 105 HN GLY 105 1.591 -4.670 5.239 801 1HA GLY 105 HA2 GLY 105 -0.554 -6.715 4.837 802 2HA GLY 105 HA1 GLY 105 -0.662 -5.049 4.286 803 OH TYR 106 OH TYR 106 1.464 -13.403 -1.908 804 H TYR 106 HN TYR 106 -0.349 -8.021 3.134 805 HA TYR 106 HA TYR 106 1.089 -7.078 0.725 806 1HB TYR 106 HB2 TYR 106 2.906 -8.332 1.262 807 2HB TYR 106 HB1 TYR 106 2.038 -9.198 2.529 808 HD1 TYR 106 HD1 TYR 106 1.934 -8.916 -1.254 809 HD2 TYR 106 HD2 TYR 106 1.740 -11.483 2.195 810 HE1 TYR 106 HE1 TYR 106 1.711 -10.900 -2.721 811 HE2 TYR 106 HE2 TYR 106 1.520 -13.449 0.724 812 HH TYR 106 HH TYR 106 0.550 -13.692 -1.870 813 H VAL 107 HN VAL 107 -0.479 -7.253 -0.754 814 HA VAL 107 HA VAL 107 -2.227 -9.695 -0.689 815 HB VAL 107 HB VAL 107 -3.468 -7.597 -0.258 816 1HG1 VAL 107 HG13 VAL 107 -1.708 -6.317 -1.751 817 2HG1 VAL 107 HG12 VAL 107 -2.833 -6.695 -3.052 818 3HG1 VAL 107 HG11 VAL 107 -3.369 -5.745 -1.671 819 1HG2 VAL 107 HG22 VAL 107 -4.274 -9.572 -1.811 820 2HG2 VAL 107 HG21 VAL 107 -5.216 -8.084 -1.729 821 3HG2 VAL 107 HG23 VAL 107 -4.127 -8.363 -3.085 822 H VAL 108 HN VAL 108 -1.831 -11.042 -2.394 823 HA VAL 108 HA VAL 108 -0.015 -10.434 -4.453 824 HB VAL 108 HB VAL 108 -2.310 -12.191 -5.193 825 1HG1 VAL 108 HG11 VAL 108 0.041 -11.893 -6.298 826 2HG1 VAL 108 HG13 VAL 108 0.597 -12.941 -4.994 827 3HG1 VAL 108 HG12 VAL 108 -0.621 -13.518 -6.132 828 1HG2 VAL 108 HG21 VAL 108 -0.606 -12.576 -2.733 829 2HG2 VAL 108 HG23 VAL 108 -2.351 -12.775 -2.905 830 3HG2 VAL 108 HG22 VAL 108 -1.254 -13.963 -3.611 831 H LYS 109 HN LYS 109 -0.828 -10.243 -6.922 832 HA LYS 109 HA LYS 109 -3.329 -8.664 -7.109 833 1HB LYS 109 HB2 LYS 109 -2.364 -6.652 -7.510 834 2HB LYS 109 HB1 LYS 109 -0.934 -7.354 -6.767 835 1HG LYS 109 HG2 LYS 109 -0.215 -8.138 -9.060 836 2HG LYS 109 HG1 LYS 109 -1.561 -7.211 -9.733 837 1HD LYS 109 HD2 LYS 109 -0.643 -5.180 -8.572 838 2HD LYS 109 HD1 LYS 109 0.774 -6.137 -8.136 839 1HE LYS 109 HE2 LYS 109 1.263 -6.548 -10.497 840 2HE LYS 109 HE1 LYS 109 -0.200 -5.686 -10.973 841 1HZ LYS 109 HZ2 LYS 109 1.783 -4.339 -9.274 842 2HZ LYS 109 HZ1 LYS 109 2.072 -4.466 -10.943 843 3HZ LYS 109 HZ3 LYS 109 0.683 -3.671 -10.383 844 HA PRO 110 HA PRO 110 -4.059 -7.239 -8.978 845 1HB PRO 110 HB2 PRO 110 -6.225 -8.166 -10.617 846 2HB PRO 110 HB1 PRO 110 -5.098 -6.847 -10.964 847 1HG PRO 110 HG2 PRO 110 -5.229 -9.368 -12.288 848 2HG PRO 110 HG1 PRO 110 -3.995 -8.119 -12.502 849 1HD PRO 110 HD2 PRO 110 -3.796 -10.675 -11.073 850 2HD PRO 110 HD1 PRO 110 -2.500 -9.564 -11.562 851 H PHE 111 HN PHE 111 -6.319 -7.039 -8.000 852 HA PHE 111 HA PHE 111 -7.333 -9.627 -6.890 853 1HB PHE 111 HB2 PHE 111 -7.789 -8.186 -4.759 854 2HB PHE 111 HB1 PHE 111 -6.166 -8.808 -5.021 855 HD1 PHE 111 HD2 PHE 111 -8.352 -5.835 -5.640 856 HD2 PHE 111 HD1 PHE 111 -4.358 -7.319 -5.156 857 HE1 PHE 111 HE2 PHE 111 -7.469 -3.528 -5.781 858 HE2 PHE 111 HE1 PHE 111 -3.482 -5.014 -5.283 859 HZ PHE 111 HZ PHE 111 -5.035 -3.110 -5.584 860 H THR 112 HN THR 112 -9.511 -9.565 -6.232 861 HA THR 112 HA THR 112 -11.143 -7.550 -7.677 862 HB THR 112 HB THR 112 -12.586 -9.607 -6.161 863 HG1 THR 112 HG1 THR 112 -10.629 -10.722 -6.691 864 1HG2 THR 112 HG21 THR 112 -13.559 -8.212 -7.952 865 2HG2 THR 112 HG23 THR 112 -12.437 -8.925 -9.111 866 3HG2 THR 112 HG22 THR 112 -13.669 -9.928 -8.345 867 H ALA 113 HN ALA 113 -12.730 -6.300 -6.443 868 HA ALA 113 HA ALA 113 -11.832 -5.196 -4.055 869 1HB ALA 113 HB1 ALA 113 -13.838 -4.476 -5.526 870 2HB ALA 113 HB3 ALA 113 -14.787 -5.589 -4.542 871 3HB ALA 113 HB2 ALA 113 -13.977 -4.215 -3.788 872 H ALA 114 HN ALA 114 -13.840 -8.098 -4.426 873 HA ALA 114 HA ALA 114 -14.247 -8.436 -1.592 874 1HB ALA 114 HB2 ALA 114 -14.790 -9.954 -4.030 875 2HB ALA 114 HB1 ALA 114 -14.253 -10.999 -2.715 876 3HB ALA 114 HB3 ALA 114 -15.662 -9.961 -2.498 877 H THR 115 HN THR 115 -11.756 -9.485 -3.879 878 HA THR 115 HA THR 115 -10.322 -11.109 -1.979 879 HB THR 115 HB THR 115 -9.452 -9.693 -4.495 880 HG1 THR 115 HG1 THR 115 -10.679 -11.379 -5.029 881 1HG2 THR 115 HG23 THR 115 -7.914 -11.496 -2.624 882 2HG2 THR 115 HG22 THR 115 -7.435 -11.242 -4.304 883 3HG2 THR 115 HG21 THR 115 -7.462 -9.883 -3.179 884 H LEU 116 HN LEU 116 -9.409 -7.821 -3.285 885 HA LEU 116 HA LEU 116 -7.501 -7.151 -1.407 886 1HB LEU 116 HB2 LEU 116 -9.065 -5.722 -3.227 887 2HB LEU 116 HB1 LEU 116 -9.482 -5.003 -1.678 888 HG LEU 116 HG LEU 116 -6.780 -5.119 -3.041 889 1HD1 LEU 116 HD12 LEU 116 -8.713 -3.011 -2.271 890 2HD1 LEU 116 HD11 LEU 116 -7.037 -2.652 -1.882 891 3HD1 LEU 116 HD13 LEU 116 -7.493 -3.016 -3.536 892 1HD2 LEU 116 HD23 LEU 116 -7.330 -5.121 -0.138 893 2HD2 LEU 116 HD22 LEU 116 -5.865 -5.559 -1.014 894 3HD2 LEU 116 HD21 LEU 116 -6.237 -3.867 -0.695 895 H GLU 117 HN GLU 117 -11.049 -6.810 -0.975 896 HA GLU 117 HA GLU 117 -10.955 -5.830 1.678 897 1HB GLU 117 HB2 GLU 117 -12.981 -5.811 0.233 898 2HB GLU 117 HB1 GLU 117 -13.100 -7.561 0.428 899 1HG GLU 117 HG2 GLU 117 -12.805 -6.375 3.022 900 2HG GLU 117 HG1 GLU 117 -14.104 -5.543 2.167 901 H GLU 118 HN GLU 118 -10.927 -9.128 0.423 902 HA GLU 118 HA GLU 118 -11.354 -10.532 2.843 903 1HB GLU 118 HB2 GLU 118 -11.195 -11.494 0.488 904 2HB GLU 118 HB1 GLU 118 -9.443 -11.408 0.669 905 1HG GLU 118 HG2 GLU 118 -9.813 -13.559 1.441 906 2HG GLU 118 HG1 GLU 118 -9.965 -12.665 2.955 907 H LYS 119 HN LYS 119 -8.426 -9.012 1.570 908 HA LYS 119 HA LYS 119 -6.817 -10.111 3.790 909 1HB LYS 119 HB2 LYS 119 -6.195 -9.387 1.207 910 2HB LYS 119 HB1 LYS 119 -5.616 -8.001 2.129 911 1HG LYS 119 HG2 LYS 119 -3.778 -9.495 2.105 912 2HG LYS 119 HG1 LYS 119 -4.510 -9.726 3.693 913 1HD LYS 119 HD2 LYS 119 -4.531 -11.929 3.152 914 2HD LYS 119 HD1 LYS 119 -5.917 -11.518 2.142 915 1HE LYS 119 HE2 LYS 119 -4.395 -11.101 0.235 916 2HE LYS 119 HE1 LYS 119 -3.020 -11.547 1.245 917 1HZ LYS 119 HZ1 LYS 119 -5.164 -13.478 1.228 918 2HZ LYS 119 HZ3 LYS 119 -4.421 -13.260 -0.281 919 3HZ LYS 119 HZ2 LYS 119 -3.488 -13.709 1.066 920 H LEU 120 HN LEU 120 -8.194 -7.008 2.761 921 HA LEU 120 HA LEU 120 -6.891 -5.337 4.638 922 1HB LEU 120 HB2 LEU 120 -8.498 -4.714 2.696 923 2HB LEU 120 HB1 LEU 120 -9.783 -4.943 3.884 924 HG LEU 120 HG LEU 120 -8.058 -3.427 5.328 925 1HD1 LEU 120 HD12 LEU 120 -6.562 -3.228 3.317 926 2HD1 LEU 120 HD11 LEU 120 -7.870 -2.383 2.488 927 3HD1 LEU 120 HD13 LEU 120 -7.135 -1.675 3.926 928 1HD2 LEU 120 HD21 LEU 120 -10.201 -2.493 3.397 929 2HD2 LEU 120 HD23 LEU 120 -10.429 -2.952 5.084 930 3HD2 LEU 120 HD22 LEU 120 -9.524 -1.494 4.681 931 H ASN 121 HN ASN 121 -10.267 -6.487 4.990 932 HA ASN 121 HA ASN 121 -10.651 -5.839 7.659 933 1HB ASN 121 HB2 ASN 121 -12.006 -7.381 5.781 934 2HB ASN 121 HB1 ASN 121 -11.680 -8.513 7.093 935 1HD2 ASN 121 HD22 ASN 121 -13.871 -6.917 9.386 936 2HD2 ASN 121 HD21 ASN 121 -12.642 -8.073 9.197 937 H LYS 122 HN LYS 122 -8.701 -8.457 6.377 938 HA LYS 122 HA LYS 122 -8.448 -9.885 8.877 939 1HB LYS 122 HB2 LYS 122 -7.240 -10.010 6.186 940 2HB LYS 122 HB1 LYS 122 -6.193 -10.563 7.493 941 1HG LYS 122 HG2 LYS 122 -7.592 -12.401 6.544 942 2HG LYS 122 HG1 LYS 122 -7.902 -12.126 8.258 943 1HD LYS 122 HD2 LYS 122 -10.013 -11.314 7.887 944 2HD LYS 122 HD1 LYS 122 -9.565 -10.556 6.360 945 1HE LYS 122 HE2 LYS 122 -11.099 -12.456 5.990 946 2HE LYS 122 HE1 LYS 122 -9.521 -12.769 5.270 947 1HZ LYS 122 HZ2 LYS 122 -9.820 -13.605 8.028 948 2HZ LYS 122 HZ1 LYS 122 -10.771 -14.461 6.910 949 3HZ LYS 122 HZ3 LYS 122 -9.085 -14.405 6.722 950 H ILE 123 HN ILE 123 -6.662 -7.237 7.376 951 HA ILE 123 HA ILE 123 -4.504 -7.348 9.350 952 HB ILE 123 HB ILE 123 -5.285 -5.425 7.170 953 1HG1 ILE 123 HG12 ILE 123 -2.728 -6.962 7.747 954 2HG1 ILE 123 HG11 ILE 123 -4.008 -7.535 6.678 955 1HG2 ILE 123 HG21 ILE 123 -3.397 -4.999 9.481 956 2HG2 ILE 123 HG23 ILE 123 -3.055 -4.251 7.923 957 3HG2 ILE 123 HG22 ILE 123 -4.548 -3.868 8.770 958 1HD1 ILE 123 HD11 ILE 123 -3.562 -4.999 5.708 959 2HD1 ILE 123 HD13 ILE 123 -1.946 -5.484 6.210 960 3HD1 ILE 123 HD12 ILE 123 -2.843 -6.464 5.049 961 H PHE 124 HN PHE 124 -7.375 -5.307 8.808 962 HA PHE 124 HA PHE 124 -6.843 -3.494 10.928 963 1HB PHE 124 HB2 PHE 124 -9.301 -4.287 9.411 964 2HB PHE 124 HB1 PHE 124 -9.433 -3.215 10.808 965 HD1 PHE 124 HD1 PHE 124 -7.576 -3.692 7.610 966 HD2 PHE 124 HD2 PHE 124 -8.852 -0.926 10.638 967 HE1 PHE 124 HE1 PHE 124 -6.684 -1.809 6.267 968 HE2 PHE 124 HE2 PHE 124 -7.966 0.959 9.288 969 HZ PHE 124 HZ PHE 124 -6.882 0.505 7.102 970 H GLU 125 HN GLU 125 -7.124 -6.695 11.286 971 HA GLU 125 HA GLU 125 -8.868 -6.709 13.651 972 1HB GLU 125 HB2 GLU 125 -7.307 -8.734 12.106 973 2HB GLU 125 HB1 GLU 125 -7.573 -9.072 13.817 974 1HG GLU 125 HG2 GLU 125 -9.818 -8.267 11.957 975 2HG GLU 125 HG1 GLU 125 -9.363 -9.952 12.219 976 H LYS 126 HN LYS 126 -5.507 -6.387 12.815 977 HA LYS 126 HA LYS 126 -4.613 -6.602 15.618 978 1HB LYS 126 HB2 LYS 126 -3.166 -5.912 13.039 979 2HB LYS 126 HB1 LYS 126 -2.381 -5.970 14.617 980 1HG LYS 126 HG2 LYS 126 -3.093 -8.337 14.863 981 2HG LYS 126 HG1 LYS 126 -3.806 -8.271 13.250 982 1HD LYS 126 HD2 LYS 126 -1.226 -7.284 12.880 983 2HD LYS 126 HD1 LYS 126 -1.012 -8.612 14.020 984 1HE LYS 126 HE2 LYS 126 -2.270 -10.111 12.517 985 2HE LYS 126 HE1 LYS 126 -2.487 -8.784 11.375 986 1HZ LYS 126 HZ1 LYS 126 0.186 -8.794 11.842 987 2HZ LYS 126 HZ3 LYS 126 -0.194 -10.447 11.830 988 3HZ LYS 126 HZ2 LYS 126 -0.582 -9.479 10.490 989 H LEU 127 HN LEU 127 -5.270 -4.184 13.139 990 HA LEU 127 HA LEU 127 -4.219 -1.918 14.541 991 1HB LEU 127 HB2 LEU 127 -5.229 -2.252 12.052 992 2HB LEU 127 HB1 LEU 127 -6.656 -1.586 12.838 993 HG LEU 127 HG LEU 127 -5.367 0.234 11.876 994 1HD1 LEU 127 HD12 LEU 127 -6.418 0.390 14.235 995 2HD1 LEU 127 HD11 LEU 127 -4.756 0.339 14.824 996 3HD1 LEU 127 HD13 LEU 127 -5.273 1.642 13.757 997 1HD2 LEU 127 HD21 LEU 127 -3.146 -1.338 12.530 998 2HD2 LEU 127 HD23 LEU 127 -3.110 0.293 11.860 999 3HD2 LEU 127 HD22 LEU 127 -3.024 0.054 13.604 1000 H GLY 128 HN GLY 128 -7.218 -3.728 14.769 1001 1HA GLY 128 HA2 GLY 128 -8.891 -3.650 16.417 1002 2HA GLY 128 HA1 GLY 128 -7.800 -2.642 17.369 1003 H MET 129 HN MET 129 -10.084 -2.508 14.643 1004 HA MET 129 HA MET 129 -10.289 0.424 14.928 1005 1HB MET 129 HB2 MET 129 -12.159 -0.121 13.099 1006 2HB MET 129 HB1 MET 129 -10.448 -0.057 12.675 1007 1HG MET 129 HG2 MET 129 -11.629 -2.109 11.822 1008 2HG MET 129 HG1 MET 129 -10.247 -2.461 12.859 1009 1HE MET 129 HE1 MET 129 -13.882 -2.803 12.139 1010 2HE MET 129 HE3 MET 129 -12.897 -4.268 12.022 1011 3HE MET 129 HE2 MET 129 -14.230 -4.188 13.171 Start of MODEL 24 Raw file had 1011 H/Q atoms Start of MODEL 24 1 H ALA 2 HN ALA 2 -15.475 -0.179 8.052 2 HA ALA 2 HA ALA 2 -13.660 0.710 10.208 3 1HB ALA 2 HB3 ALA 2 -12.468 -0.921 8.564 4 2HB ALA 2 HB2 ALA 2 -12.541 0.421 7.423 5 3HB ALA 2 HB1 ALA 2 -11.672 0.606 8.946 6 H ASP 3 HN ASP 3 -12.714 2.904 9.628 7 HA ASP 3 HA ASP 3 -14.626 4.817 9.060 8 1HB ASP 3 HB2 ASP 3 -11.656 4.748 8.810 9 2HB ASP 3 HB1 ASP 3 -12.493 6.103 8.051 10 H LYS 4 HN LYS 4 -15.392 5.875 7.184 11 HA LYS 4 HA LYS 4 -15.086 4.328 4.685 12 1HB LYS 4 HB2 LYS 4 -16.805 6.775 5.072 13 2HB LYS 4 HB1 LYS 4 -16.983 5.499 3.873 14 1HG LYS 4 HG2 LYS 4 -17.052 4.120 6.286 15 2HG LYS 4 HG1 LYS 4 -17.945 5.598 6.638 16 1HD LYS 4 HD2 LYS 4 -18.500 3.814 4.243 17 2HD LYS 4 HD1 LYS 4 -19.388 3.738 5.763 18 1HE LYS 4 HE2 LYS 4 -19.126 6.344 4.264 19 2HE LYS 4 HE1 LYS 4 -20.387 5.183 3.859 20 1HZ LYS 4 HZ1 LYS 4 -20.525 5.310 6.552 21 2HZ LYS 4 HZ3 LYS 4 -20.150 6.912 6.143 22 3HZ LYS 4 HZ2 LYS 4 -21.526 6.168 5.480 23 H GLU 5 HN GLU 5 -13.225 6.630 6.020 24 HA GLU 5 HA GLU 5 -12.488 7.727 3.356 25 1HB GLU 5 HB2 GLU 5 -13.049 9.416 5.813 26 2HB GLU 5 HB1 GLU 5 -12.297 10.016 4.336 27 1HG GLU 5 HG2 GLU 5 -14.520 10.563 3.940 28 2HG GLU 5 HG1 GLU 5 -14.440 8.972 3.187 29 H LEU 6 HN LEU 6 -11.035 5.793 4.581 30 HA LEU 6 HA LEU 6 -8.976 6.949 6.265 31 1HB LEU 6 HB2 LEU 6 -9.700 4.598 6.487 32 2HB LEU 6 HB1 LEU 6 -9.121 4.274 4.856 33 HG LEU 6 HG LEU 6 -6.834 4.904 5.565 34 1HD1 LEU 6 HD13 LEU 6 -8.288 5.449 8.127 35 2HD1 LEU 6 HD12 LEU 6 -6.628 4.859 8.194 36 3HD1 LEU 6 HD11 LEU 6 -6.992 6.369 7.362 37 1HD2 LEU 6 HD23 LEU 6 -8.408 2.701 6.757 38 2HD2 LEU 6 HD22 LEU 6 -6.970 2.636 5.742 39 3HD2 LEU 6 HD21 LEU 6 -6.821 2.989 7.466 40 H LYS 7 HN LYS 7 -7.452 8.274 5.346 41 HA LYS 7 HA LYS 7 -7.056 8.691 2.606 42 1HB LYS 7 HB2 LYS 7 -5.710 9.445 5.065 43 2HB LYS 7 HB1 LYS 7 -4.559 9.208 3.751 44 1HG LYS 7 HG2 LYS 7 -5.902 10.704 2.309 45 2HG LYS 7 HG1 LYS 7 -7.030 10.962 3.643 46 1HD LYS 7 HD2 LYS 7 -4.406 11.432 4.645 47 2HD LYS 7 HD1 LYS 7 -4.553 12.311 3.124 48 1HE LYS 7 HE2 LYS 7 -5.330 13.747 4.923 49 2HE LYS 7 HE1 LYS 7 -6.718 13.267 3.947 50 1HZ LYS 7 HZ3 LYS 7 -7.159 11.496 5.559 51 2HZ LYS 7 HZ2 LYS 7 -5.865 12.042 6.515 52 3HZ LYS 7 HZ1 LYS 7 -7.224 13.032 6.275 53 H PHE 8 HN PHE 8 -6.245 7.427 1.026 54 HA PHE 8 HA PHE 8 -4.223 5.341 1.736 55 1HB PHE 8 HB2 PHE 8 -6.260 5.484 -0.512 56 2HB PHE 8 HB1 PHE 8 -4.935 4.341 -0.501 57 HD1 PHE 8 HD1 PHE 8 -8.071 5.336 1.121 58 HD2 PHE 8 HD2 PHE 8 -4.931 2.422 0.998 59 HE1 PHE 8 HE1 PHE 8 -9.418 3.817 2.539 60 HE2 PHE 8 HE2 PHE 8 -6.298 0.894 2.409 61 HZ PHE 8 HZ PHE 8 -8.538 1.597 3.180 62 H LEU 9 HN LEU 9 -2.399 5.176 0.358 63 HA LEU 9 HA LEU 9 -2.069 7.419 -1.598 64 1HB LEU 9 HB2 LEU 9 -0.595 7.875 0.258 65 2HB LEU 9 HB1 LEU 9 -0.004 6.220 0.271 66 HG LEU 9 HG LEU 9 1.029 6.526 -1.920 67 1HD1 LEU 9 HD12 LEU 9 -0.471 9.121 -1.800 68 2HD1 LEU 9 HD11 LEU 9 0.996 9.004 -2.767 69 3HD1 LEU 9 HD13 LEU 9 -0.380 7.960 -3.123 70 1HD2 LEU 9 HD22 LEU 9 1.608 8.473 0.264 71 2HD2 LEU 9 HD21 LEU 9 2.617 7.187 -0.403 72 3HD2 LEU 9 HD23 LEU 9 2.423 8.700 -1.282 73 H VAL 10 HN VAL 10 -2.265 6.461 -3.557 74 HA VAL 10 HA VAL 10 -1.317 3.675 -3.903 75 HB VAL 10 HB VAL 10 -2.454 5.143 -6.208 76 1HG1 VAL 10 HG12 VAL 10 -2.049 2.686 -6.144 77 2HG1 VAL 10 HG11 VAL 10 -3.196 2.554 -4.812 78 3HG1 VAL 10 HG13 VAL 10 -3.749 3.078 -6.403 79 1HG2 VAL 10 HG23 VAL 10 -3.968 4.702 -3.621 80 2HG2 VAL 10 HG22 VAL 10 -3.786 6.208 -4.514 81 3HG2 VAL 10 HG21 VAL 10 -4.775 4.908 -5.175 82 H VAL 11 HN VAL 11 0.931 3.746 -4.108 83 HA VAL 11 HA VAL 11 2.134 5.718 -5.909 84 HB VAL 11 HB VAL 11 3.434 3.569 -4.214 85 1HG1 VAL 11 HG12 VAL 11 4.444 5.503 -6.209 86 2HG1 VAL 11 HG11 VAL 11 5.319 5.498 -4.678 87 3HG1 VAL 11 HG13 VAL 11 5.175 4.012 -5.615 88 1HG2 VAL 11 HG21 VAL 11 2.500 6.317 -3.689 89 2HG2 VAL 11 HG23 VAL 11 2.826 5.007 -2.557 90 3HG2 VAL 11 HG22 VAL 11 4.150 5.994 -3.172 91 H ASP 12 HN ASP 12 0.497 3.099 -6.573 92 HA ASP 12 HA ASP 12 2.264 1.369 -8.003 93 1HB ASP 12 HB2 ASP 12 -0.583 1.683 -7.667 94 2HB ASP 12 HB1 ASP 12 -0.214 1.417 -9.371 95 H ASP 13 HN ASP 13 2.585 1.251 -10.339 96 HA ASP 13 HA ASP 13 2.771 3.956 -11.543 97 1HB ASP 13 HB2 ASP 13 4.274 2.931 -13.156 98 2HB ASP 13 HB1 ASP 13 4.757 2.424 -11.536 99 H PHE 14 HN PHE 14 2.832 2.550 -14.249 100 HA PHE 14 HA PHE 14 1.315 2.147 -15.990 101 1HB PHE 14 HB2 PHE 14 0.503 0.526 -13.819 102 2HB PHE 14 HB1 PHE 14 -0.966 1.262 -14.459 103 HD1 PHE 14 HD2 PHE 14 -0.880 1.431 -17.195 104 HD2 PHE 14 HD1 PHE 14 1.073 -1.528 -14.768 105 HE1 PHE 14 HE2 PHE 14 -0.825 -0.120 -19.128 106 HE2 PHE 14 HE1 PHE 14 1.127 -3.078 -16.702 107 HZ PHE 14 HZ PHE 14 0.178 -2.374 -18.883 108 H SER 15 HN SER 15 -0.377 3.269 -17.032 109 HA SER 15 HA SER 15 -1.345 5.648 -15.559 110 1HB SER 15 HB2 SER 15 -0.341 5.568 -17.998 111 2HB SER 15 HB1 SER 15 -1.979 5.096 -18.442 112 HG SER 15 HG SER 15 -2.593 7.005 -17.101 113 H THR 16 HN THR 16 -2.397 2.713 -15.418 114 HA THR 16 HA THR 16 -5.258 3.509 -15.485 115 HB THR 16 HB THR 16 -5.948 1.808 -16.899 116 HG1 THR 16 HG1 THR 16 -3.950 0.483 -15.632 117 1HG2 THR 16 HG23 THR 16 -4.387 3.344 -18.125 118 2HG2 THR 16 HG22 THR 16 -3.096 2.173 -17.853 119 3HG2 THR 16 HG21 THR 16 -4.493 1.733 -18.835 120 H MET 17 HN MET 17 -2.647 1.865 -14.041 121 HA MET 17 HA MET 17 -4.154 -0.082 -12.521 122 1HB MET 17 HB2 MET 17 -1.718 -0.297 -12.874 123 2HB MET 17 HB1 MET 17 -1.454 1.170 -11.930 124 1HG MET 17 HG2 MET 17 -2.104 0.151 -9.924 125 2HG MET 17 HG1 MET 17 -3.017 -1.111 -10.747 126 1HE MET 17 HE2 MET 17 -2.227 -3.048 -11.825 127 2HE MET 17 HE1 MET 17 -0.833 -3.936 -11.214 128 3HE MET 17 HE3 MET 17 -2.107 -3.411 -10.105 129 NH1 ARG 18 NH1 ARG 18 0.078 6.602 -13.595 130 NH2 ARG 18 NH2 ARG 18 1.980 6.225 -12.434 131 H ARG 18 HN ARG 18 -2.623 3.008 -11.512 132 HA ARG 18 HA ARG 18 -3.647 3.174 -8.927 133 1HB ARG 18 HB2 ARG 18 -3.637 5.569 -10.771 134 2HB ARG 18 HB1 ARG 18 -3.332 5.528 -9.035 135 1HG ARG 18 HG2 ARG 18 -1.135 5.413 -9.530 136 2HG ARG 18 HG1 ARG 18 -1.434 3.775 -10.105 137 1HD ARG 18 HD2 ARG 18 -1.916 4.637 -12.358 138 2HD ARG 18 HD1 ARG 18 -1.659 6.287 -11.791 139 HE ARG 18 HE ARG 18 0.581 4.364 -11.496 140 1HH1 ARG 18 HH11 ARG 18 -0.890 6.414 -13.755 141 2HH1 ARG 18 HH12 ARG 18 0.559 7.269 -14.165 142 1HH2 ARG 18 HH21 ARG 18 2.469 5.747 -11.704 143 2HH2 ARG 18 HH22 ARG 18 2.461 6.891 -13.004 144 NH1 ARG 19 NH1 ARG 19 -10.066 4.238 -16.635 145 NH2 ARG 19 NH2 ARG 19 -8.046 4.581 -17.589 146 H ARG 19 HN ARG 19 -5.333 3.578 -11.969 147 HA ARG 19 HA ARG 19 -7.726 4.764 -10.838 148 1HB ARG 19 HB2 ARG 19 -6.924 3.579 -13.456 149 2HB ARG 19 HB1 ARG 19 -8.649 3.653 -13.096 150 1HG ARG 19 HG2 ARG 19 -8.535 6.044 -12.734 151 2HG ARG 19 HG1 ARG 19 -6.776 6.024 -12.877 152 1HD ARG 19 HD2 ARG 19 -8.551 6.491 -14.955 153 2HD ARG 19 HD1 ARG 19 -6.856 6.038 -15.137 154 HE ARG 19 HE ARG 19 -8.077 3.602 -14.855 155 1HH1 ARG 19 HH11 ARG 19 -10.626 4.114 -15.816 156 2HH1 ARG 19 HH12 ARG 19 -10.491 4.223 -17.540 157 1HH2 ARG 19 HH21 ARG 19 -7.060 4.719 -17.503 158 2HH2 ARG 19 HH22 ARG 19 -8.471 4.564 -18.494 159 H ILE 20 HN ILE 20 -6.906 1.469 -11.944 160 HA ILE 20 HA ILE 20 -9.264 0.128 -11.324 161 HB ILE 20 HB ILE 20 -6.381 -0.622 -11.364 162 1HG1 ILE 20 HG12 ILE 20 -8.752 -2.071 -12.542 163 2HG1 ILE 20 HG11 ILE 20 -8.095 -0.621 -13.301 164 1HG2 ILE 20 HG23 ILE 20 -8.530 -2.259 -9.997 165 2HG2 ILE 20 HG22 ILE 20 -7.102 -3.002 -10.714 166 3HG2 ILE 20 HG21 ILE 20 -6.920 -1.849 -9.395 167 1HD1 ILE 20 HD13 ILE 20 -6.124 -2.708 -12.527 168 2HD1 ILE 20 HD12 ILE 20 -7.192 -3.100 -13.875 169 3HD1 ILE 20 HD11 ILE 20 -6.163 -1.669 -13.952 170 H VAL 21 HN VAL 21 -6.520 0.631 -9.080 171 HA VAL 21 HA VAL 21 -7.865 -0.491 -6.828 172 HB VAL 21 HB VAL 21 -6.039 1.472 -5.892 173 1HG1 VAL 21 HG11 VAL 21 -5.784 -1.508 -6.404 174 2HG1 VAL 21 HG13 VAL 21 -4.689 -0.566 -5.392 175 3HG1 VAL 21 HG12 VAL 21 -6.381 -0.751 -4.927 176 1HG2 VAL 21 HG21 VAL 21 -5.300 1.681 -8.250 177 2HG2 VAL 21 HG23 VAL 21 -4.053 0.934 -7.251 178 3HG2 VAL 21 HG22 VAL 21 -5.044 -0.062 -8.317 179 NH1 ARG 22 NH1 ARG 22 -8.368 8.355 -10.820 180 NH2 ARG 22 NH2 ARG 22 -10.041 9.455 -9.773 181 H ARG 22 HN ARG 22 -7.549 2.906 -7.893 182 HA ARG 22 HA ARG 22 -8.769 4.233 -5.771 183 1HB ARG 22 HB2 ARG 22 -8.499 4.690 -8.651 184 2HB ARG 22 HB1 ARG 22 -9.940 5.440 -7.971 185 1HG ARG 22 HG2 ARG 22 -8.604 6.585 -6.286 186 2HG ARG 22 HG1 ARG 22 -7.147 5.754 -6.833 187 1HD ARG 22 HD2 ARG 22 -7.463 8.134 -7.708 188 2HD ARG 22 HD1 ARG 22 -7.167 6.898 -8.931 189 HE ARG 22 HE ARG 22 -9.987 7.161 -8.550 190 1HH1 ARG 22 HH11 ARG 22 -7.715 7.597 -10.851 191 2HH1 ARG 22 HH12 ARG 22 -8.390 9.025 -11.562 192 1HH2 ARG 22 HH21 ARG 22 -10.671 9.541 -9.002 193 2HH2 ARG 22 HH22 ARG 22 -10.064 10.126 -10.515 194 H ASN 23 HN ASN 23 -10.502 2.846 -8.583 195 HA ASN 23 HA ASN 23 -13.134 3.264 -7.624 196 1HB ASN 23 HB2 ASN 23 -11.910 2.198 -9.846 197 2HB ASN 23 HB1 ASN 23 -12.633 0.793 -9.115 198 1HD2 ASN 23 HD22 ASN 23 -15.057 3.712 -10.658 199 2HD2 ASN 23 HD21 ASN 23 -13.403 4.015 -10.427 200 H LEU 24 HN LEU 24 -11.179 0.334 -7.660 201 HA LEU 24 HA LEU 24 -12.645 -1.482 -6.226 202 1HB LEU 24 HB2 LEU 24 -10.246 -1.639 -7.113 203 2HB LEU 24 HB1 LEU 24 -9.755 -0.902 -5.602 204 HG LEU 24 HG LEU 24 -11.545 -3.180 -5.160 205 1HD1 LEU 24 HD12 LEU 24 -10.509 -3.952 -7.274 206 2HD1 LEU 24 HD11 LEU 24 -8.911 -3.691 -6.573 207 3HD1 LEU 24 HD13 LEU 24 -9.980 -4.920 -5.901 208 1HD2 LEU 24 HD22 LEU 24 -8.797 -2.321 -4.248 209 2HD2 LEU 24 HD21 LEU 24 -10.264 -2.515 -3.296 210 3HD2 LEU 24 HD23 LEU 24 -9.396 -3.933 -3.879 211 H LEU 25 HN LEU 25 -10.750 1.180 -4.822 212 HA LEU 25 HA LEU 25 -11.418 0.544 -2.072 213 1HB LEU 25 HB2 LEU 25 -10.117 2.798 -3.540 214 2HB LEU 25 HB1 LEU 25 -10.735 3.141 -1.933 215 HG LEU 25 HG LEU 25 -8.933 0.787 -2.538 216 1HD1 LEU 25 HD13 LEU 25 -8.311 3.654 -1.944 217 2HD1 LEU 25 HD12 LEU 25 -7.278 2.408 -1.243 218 3HD1 LEU 25 HD11 LEU 25 -7.465 2.518 -2.994 219 1HD2 LEU 25 HD23 LEU 25 -10.437 1.607 -0.245 220 2HD2 LEU 25 HD22 LEU 25 -9.322 0.251 -0.384 221 3HD2 LEU 25 HD21 LEU 25 -8.728 1.831 0.119 222 H LYS 26 HN LYS 26 -12.722 2.794 -4.497 223 HA LYS 26 HA LYS 26 -14.644 4.005 -2.792 224 1HB LYS 26 HB2 LYS 26 -14.203 5.075 -4.880 225 2HB LYS 26 HB1 LYS 26 -14.542 3.598 -5.783 226 1HG LYS 26 HG2 LYS 26 -16.842 3.797 -5.517 227 2HG LYS 26 HG1 LYS 26 -16.691 4.753 -4.042 228 1HD LYS 26 HD2 LYS 26 -15.947 6.689 -5.309 229 2HD LYS 26 HD1 LYS 26 -15.914 5.746 -6.799 230 1HE LYS 26 HE2 LYS 26 -18.297 5.488 -6.795 231 2HE LYS 26 HE1 LYS 26 -18.425 6.120 -5.153 232 1HZ LYS 26 HZ1 LYS 26 -17.385 7.689 -7.445 233 2HZ LYS 26 HZ3 LYS 26 -18.999 7.740 -6.926 234 3HZ LYS 26 HZ2 LYS 26 -17.759 8.262 -5.889 235 H GLU 27 HN GLU 27 -14.618 0.980 -4.578 236 HA GLU 27 HA GLU 27 -17.358 0.376 -4.581 237 1HB GLU 27 HB2 GLU 27 -15.711 -1.033 -5.725 238 2HB GLU 27 HB1 GLU 27 -15.025 -1.510 -4.172 239 1HG GLU 27 HG2 GLU 27 -17.958 -1.909 -4.588 240 2HG GLU 27 HG1 GLU 27 -16.848 -3.022 -5.388 241 H LEU 28 HN LEU 28 -14.958 -0.035 -1.997 242 HA LEU 28 HA LEU 28 -16.881 -1.307 -0.211 243 1HB LEU 28 HB2 LEU 28 -14.216 -1.336 -0.223 244 2HB LEU 28 HB1 LEU 28 -14.439 0.050 0.846 245 HG LEU 28 HG LEU 28 -15.642 -2.707 1.228 246 1HD1 LEU 28 HD12 LEU 28 -13.125 -2.228 1.713 247 2HD1 LEU 28 HD11 LEU 28 -13.733 -1.292 3.078 248 3HD1 LEU 28 HD13 LEU 28 -14.086 -3.016 2.963 249 1HD2 LEU 28 HD21 LEU 28 -15.967 -0.085 2.690 250 2HD2 LEU 28 HD23 LEU 28 -17.223 -1.179 2.109 251 3HD2 LEU 28 HD22 LEU 28 -16.240 -1.625 3.502 252 H GLY 29 HN GLY 29 -15.230 1.852 -0.078 253 1HA GLY 29 HA2 GLY 29 -17.333 3.563 0.260 254 2HA GLY 29 HA1 GLY 29 -17.131 2.852 1.857 255 H PHE 30 HN PHE 30 -14.638 3.647 -0.532 256 HA PHE 30 HA PHE 30 -13.497 5.616 1.417 257 1HB PHE 30 HB2 PHE 30 -12.127 3.452 -0.178 258 2HB PHE 30 HB1 PHE 30 -11.244 4.833 0.459 259 HD1 PHE 30 HD2 PHE 30 -11.742 5.371 2.989 260 HD2 PHE 30 HD1 PHE 30 -12.322 1.542 1.139 261 HE1 PHE 30 HE2 PHE 30 -11.596 4.277 5.205 262 HE2 PHE 30 HE1 PHE 30 -12.186 0.446 3.361 263 HZ PHE 30 HZ PHE 30 -11.825 1.815 5.397 264 H ASN 31 HN ASN 31 -13.269 7.608 0.515 265 HA ASN 31 HA ASN 31 -12.767 7.814 -2.409 266 1HB ASN 31 HB2 ASN 31 -14.367 9.923 -2.087 267 2HB ASN 31 HB1 ASN 31 -15.017 8.333 -2.468 268 1HD2 ASN 31 HD22 ASN 31 -16.318 7.806 0.843 269 2HD2 ASN 31 HD21 ASN 31 -15.724 6.990 -0.522 270 H ASN 32 HN ASN 32 -10.577 8.116 -1.120 271 HA ASN 32 HA ASN 32 -9.901 10.914 -1.244 272 1HB ASN 32 HB2 ASN 32 -11.166 10.551 1.040 273 2HB ASN 32 HB1 ASN 32 -9.633 9.848 1.554 274 1HD2 ASN 32 HD22 ASN 32 -7.857 13.009 1.098 275 2HD2 ASN 32 HD21 ASN 32 -7.647 11.357 0.773 276 H VAL 33 HN VAL 33 -8.167 10.115 -2.524 277 HA VAL 33 HA VAL 33 -5.940 8.957 -0.942 278 HB VAL 33 HB VAL 33 -5.656 7.049 -2.220 279 1HG1 VAL 33 HG12 VAL 33 -7.915 6.976 -1.157 280 2HG1 VAL 33 HG11 VAL 33 -8.605 7.552 -2.674 281 3HG1 VAL 33 HG13 VAL 33 -7.798 5.986 -2.610 282 1HG2 VAL 33 HG22 VAL 33 -6.964 8.625 -4.444 283 2HG2 VAL 33 HG21 VAL 33 -5.329 7.963 -4.386 284 3HG2 VAL 33 HG23 VAL 33 -6.711 6.887 -4.569 285 H GLU 34 HN GLU 34 -3.949 8.781 -2.587 286 HA GLU 34 HA GLU 34 -3.989 11.067 -4.494 287 1HB GLU 34 HB2 GLU 34 -2.086 10.714 -2.174 288 2HB GLU 34 HB1 GLU 34 -1.660 11.680 -3.581 289 1HG GLU 34 HG2 GLU 34 -4.040 12.802 -3.069 290 2HG GLU 34 HG1 GLU 34 -3.685 12.219 -1.446 291 H GLU 35 HN GLU 35 -1.285 10.924 -5.210 292 HA GLU 35 HA GLU 35 -0.816 8.071 -5.854 293 1HB GLU 35 HB2 GLU 35 -2.267 9.515 -7.616 294 2HB GLU 35 HB1 GLU 35 -0.641 9.903 -8.178 295 1HG GLU 35 HG2 GLU 35 -0.233 7.326 -7.996 296 2HG GLU 35 HG1 GLU 35 -1.995 7.222 -8.030 297 H ALA 36 HN ALA 36 1.291 7.597 -6.491 298 HA ALA 36 HA ALA 36 3.259 9.820 -6.604 299 1HB ALA 36 HB2 ALA 36 2.885 8.539 -4.239 300 2HB ALA 36 HB1 ALA 36 4.079 7.475 -4.982 301 3HB ALA 36 HB3 ALA 36 4.439 9.184 -4.749 302 H GLU 37 HN GLU 37 5.568 8.309 -6.801 303 HA GLU 37 HA GLU 37 5.013 6.163 -8.775 304 1HB GLU 37 HB2 GLU 37 6.306 7.154 -10.527 305 2HB GLU 37 HB1 GLU 37 5.169 8.390 -9.986 306 1HG GLU 37 HG2 GLU 37 7.252 8.885 -8.312 307 2HG GLU 37 HG1 GLU 37 8.118 8.297 -9.732 308 H ASP 38 HN ASP 38 6.679 7.086 -6.108 309 HA ASP 38 HA ASP 38 8.409 4.858 -6.080 310 1HB ASP 38 HB2 ASP 38 10.617 6.260 -6.283 311 2HB ASP 38 HB1 ASP 38 9.837 5.675 -7.751 312 H GLY 39 HN GLY 39 10.457 5.586 -4.470 313 1HA GLY 39 HA2 GLY 39 9.104 6.320 -2.033 314 2HA GLY 39 HA1 GLY 39 10.841 6.087 -2.201 315 H VAL 40 HN VAL 40 11.361 8.048 -4.182 316 HA VAL 40 HA VAL 40 11.665 10.380 -2.600 317 HB VAL 40 HB VAL 40 11.767 9.845 -5.559 318 1HG1 VAL 40 HG12 VAL 40 11.709 12.513 -4.161 319 2HG1 VAL 40 HG11 VAL 40 12.633 12.302 -5.648 320 3HG1 VAL 40 HG13 VAL 40 10.892 12.026 -5.646 321 1HG2 VAL 40 HG21 VAL 40 13.631 9.291 -3.892 322 2HG2 VAL 40 HG23 VAL 40 14.099 10.290 -5.268 323 3HG2 VAL 40 HG22 VAL 40 13.833 11.031 -3.690 324 H ASP 41 HN ASP 41 9.063 9.351 -4.741 325 HA ASP 41 HA ASP 41 7.660 11.919 -4.490 326 1HB ASP 41 HB2 ASP 41 7.553 10.428 -6.532 327 2HB ASP 41 HB1 ASP 41 6.601 9.300 -5.576 328 H ALA 42 HN ALA 42 6.908 8.536 -3.557 329 HA ALA 42 HA ALA 42 4.649 8.996 -1.996 330 1HB ALA 42 HB3 ALA 42 6.204 6.815 -2.427 331 2HB ALA 42 HB2 ALA 42 6.651 7.191 -0.763 332 3HB ALA 42 HB1 ALA 42 4.965 6.882 -1.174 333 H LEU 43 HN LEU 43 8.046 9.506 -1.106 334 HA LEU 43 HA LEU 43 7.500 10.172 1.648 335 1HB LEU 43 HB2 LEU 43 9.751 9.509 0.844 336 2HB LEU 43 HB1 LEU 43 9.840 10.998 -0.097 337 HG LEU 43 HG LEU 43 9.093 11.584 2.636 338 1HD1 LEU 43 HD13 LEU 43 10.327 9.492 3.124 339 2HD1 LEU 43 HD12 LEU 43 11.718 10.116 2.237 340 3HD1 LEU 43 HD11 LEU 43 11.191 10.908 3.722 341 1HD2 LEU 43 HD21 LEU 43 10.058 13.171 0.993 342 2HD2 LEU 43 HD23 LEU 43 11.040 13.082 2.455 343 3HD2 LEU 43 HD22 LEU 43 11.559 12.245 0.992 344 H ASN 44 HN ASN 44 8.402 12.288 -1.107 345 HA ASN 44 HA ASN 44 7.854 14.738 0.211 346 1HB ASN 44 HB2 ASN 44 8.303 13.840 -2.540 347 2HB ASN 44 HB1 ASN 44 7.221 15.228 -2.440 348 1HD2 ASN 44 HD22 ASN 44 11.132 15.847 -1.978 349 2HD2 ASN 44 HD21 ASN 44 10.466 14.443 -2.660 350 H LYS 45 HN LYS 45 5.689 12.362 -1.090 351 HA LYS 45 HA LYS 45 3.423 14.255 -1.185 352 1HB LYS 45 HB2 LYS 45 3.973 12.037 -2.655 353 2HB LYS 45 HB1 LYS 45 2.910 11.348 -1.428 354 1HG LYS 45 HG2 LYS 45 1.406 12.061 -3.092 355 2HG LYS 45 HG1 LYS 45 1.375 13.386 -1.929 356 1HD LYS 45 HD2 LYS 45 3.461 14.146 -3.525 357 2HD LYS 45 HD1 LYS 45 2.421 13.330 -4.693 358 1HE LYS 45 HE2 LYS 45 1.834 15.710 -4.555 359 2HE LYS 45 HE1 LYS 45 0.510 14.719 -3.942 360 1HZ LYS 45 HZ1 LYS 45 2.558 15.671 -2.068 361 2HZ LYS 45 HZ3 LYS 45 1.367 16.759 -2.596 362 3HZ LYS 45 HZ2 LYS 45 0.916 15.331 -1.794 363 H LEU 46 HN LEU 46 4.415 11.411 0.762 364 HA LEU 46 HA LEU 46 2.067 11.413 2.370 365 1HB LEU 46 HB2 LEU 46 4.708 10.135 2.492 366 2HB LEU 46 HB1 LEU 46 4.087 10.533 4.084 367 HG LEU 46 HG LEU 46 1.905 9.349 2.671 368 1HD1 LEU 46 HD13 LEU 46 3.745 8.504 1.141 369 2HD1 LEU 46 HD12 LEU 46 4.348 7.601 2.527 370 3HD1 LEU 46 HD11 LEU 46 2.735 7.273 1.899 371 1HD2 LEU 46 HD23 LEU 46 3.785 8.288 4.789 372 2HD2 LEU 46 HD22 LEU 46 2.290 9.181 5.068 373 3HD2 LEU 46 HD21 LEU 46 2.234 7.563 4.366 374 H GLN 47 HN GLN 47 4.710 13.589 2.275 375 HA GLN 47 HA GLN 47 4.625 14.528 4.987 376 1HB GLN 47 HB2 GLN 47 5.263 16.049 2.434 377 2HB GLN 47 HB1 GLN 47 5.609 16.616 4.068 378 1HG GLN 47 HG2 GLN 47 6.710 14.063 4.023 379 2HG GLN 47 HG1 GLN 47 7.079 14.702 2.422 380 1HE2 GLN 47 HE22 GLN 47 9.038 16.161 5.647 381 2HE2 GLN 47 HE21 GLN 47 7.911 14.900 5.785 382 H ALA 48 HN ALA 48 2.262 14.443 2.656 383 HA ALA 48 HA ALA 48 0.967 16.919 2.756 384 1HB ALA 48 HB2 ALA 48 0.340 14.864 1.374 385 2HB ALA 48 HB1 ALA 48 -0.498 14.280 2.811 386 3HB ALA 48 HB3 ALA 48 -1.005 15.784 2.045 387 H GLY 49 HN GLY 49 -0.301 14.135 4.644 388 1HA GLY 49 HA2 GLY 49 -0.360 15.878 7.051 389 2HA GLY 49 HA1 GLY 49 -1.914 15.324 6.435 390 H GLY 50 HN GLY 50 0.537 13.034 5.878 391 1HA GLY 50 HA2 GLY 50 1.245 11.159 7.189 392 2HA GLY 50 HA1 GLY 50 0.193 11.709 8.497 393 OH TYR 51 OH TYR 51 -1.653 12.012 -0.282 394 H TYR 51 HN TYR 51 0.199 10.161 5.332 395 HA TYR 51 HA TYR 51 -2.535 9.598 5.061 396 1HB TYR 51 HB2 TYR 51 -0.041 8.157 4.193 397 2HB TYR 51 HB1 TYR 51 -1.635 7.491 3.848 398 HD1 TYR 51 HD2 TYR 51 0.265 10.701 3.630 399 HD2 TYR 51 HD1 TYR 51 -2.762 8.184 1.925 400 HE1 TYR 51 HE2 TYR 51 0.015 12.281 1.735 401 HE2 TYR 51 HE1 TYR 51 -3.019 9.768 0.035 402 HH TYR 51 HH TYR 51 -1.518 12.900 0.059 403 H GLY 52 HN GLY 52 -3.856 7.929 5.781 404 1HA GLY 52 HA2 GLY 52 -2.933 6.549 8.225 405 2HA GLY 52 HA1 GLY 52 -4.593 6.601 7.630 406 H PHE 53 HN PHE 53 -2.900 6.017 4.934 407 HA PHE 53 HA PHE 53 -2.313 3.176 5.299 408 1HB PHE 53 HB2 PHE 53 -4.940 3.852 4.857 409 2HB PHE 53 HB1 PHE 53 -4.355 3.516 3.237 410 HD1 PHE 53 HD2 PHE 53 -4.881 2.125 6.611 411 HD2 PHE 53 HD1 PHE 53 -3.677 1.285 2.587 412 HE1 PHE 53 HE2 PHE 53 -5.127 -0.288 7.048 413 HE2 PHE 53 HE1 PHE 53 -3.914 -1.132 3.015 414 HZ PHE 53 HZ PHE 53 -4.627 -1.932 5.257 415 H VAL 54 HN VAL 54 -1.106 2.364 3.545 416 HA VAL 54 HA VAL 54 -0.829 4.125 1.153 417 HB VAL 54 HB VAL 54 1.538 3.010 2.670 418 1HG1 VAL 54 HG12 VAL 54 1.219 3.935 0.017 419 2HG1 VAL 54 HG11 VAL 54 2.056 5.219 0.890 420 3HG1 VAL 54 HG13 VAL 54 2.733 3.591 0.854 421 1HG2 VAL 54 HG21 VAL 54 0.370 5.807 2.583 422 2HG2 VAL 54 HG23 VAL 54 0.507 4.768 4.001 423 3HG2 VAL 54 HG22 VAL 54 1.959 5.417 3.242 424 H ILE 55 HN ILE 55 -0.980 2.937 -0.646 425 HA ILE 55 HA ILE 55 -0.493 -0.011 -0.475 426 HB ILE 55 HB ILE 55 -2.050 1.522 -2.580 427 1HG1 ILE 55 HG12 ILE 55 -3.115 -0.057 -0.216 428 2HG1 ILE 55 HG11 ILE 55 -3.060 1.704 -0.288 429 1HG2 ILE 55 HG22 ILE 55 -1.139 -0.706 -3.227 430 2HG2 ILE 55 HG21 ILE 55 -1.988 -1.423 -1.857 431 3HG2 ILE 55 HG23 ILE 55 -2.901 -0.689 -3.175 432 1HD1 ILE 55 HD11 ILE 55 -4.530 -0.075 -2.258 433 2HD1 ILE 55 HD13 ILE 55 -5.285 0.839 -0.954 434 3HD1 ILE 55 HD12 ILE 55 -4.496 1.688 -2.283 435 H SER 56 HN SER 56 1.651 -0.269 -1.084 436 HA SER 56 HA SER 56 2.630 1.255 -3.461 437 1HB SER 56 HB2 SER 56 4.867 0.696 -2.687 438 2HB SER 56 HB1 SER 56 3.955 1.393 -1.352 439 HG SER 56 HG SER 56 3.578 -1.275 -1.497 440 H ASP 57 HN ASP 57 4.398 -0.172 -4.674 441 HA ASP 57 HA ASP 57 2.992 -2.677 -5.460 442 1HB ASP 57 HB2 ASP 57 4.482 -2.548 -7.478 443 2HB ASP 57 HB1 ASP 57 3.433 -1.142 -7.294 444 CH2 TRP 58 CH2 TRP 58 8.670 -8.096 -1.328 445 H TRP 58 HN TRP 58 6.169 -2.734 -6.521 446 HA TRP 58 HA TRP 58 7.165 -4.153 -4.103 447 1HB TRP 58 HB2 TRP 58 6.123 -5.806 -5.706 448 2HB TRP 58 HB1 TRP 58 7.352 -5.343 -6.881 449 HD1 TRP 58 HD1 TRP 58 9.440 -6.780 -6.829 450 HE1 TRP 58 HE1 TRP 58 10.635 -8.252 -5.083 451 HE3 TRP 58 HE3 TRP 58 6.434 -5.968 -2.780 452 HZ2 TRP 58 HZ2 TRP 58 10.355 -8.987 -2.331 453 HZ3 TRP 58 HZ3 TRP 58 6.925 -7.061 -0.611 454 HH2 TRP 58 HH2 TRP 58 8.877 -8.572 -0.378 455 H ASN 59 HN ASN 59 8.512 -4.074 -7.398 456 HA ASN 59 HA ASN 59 10.353 -1.920 -6.826 457 1HB ASN 59 HB2 ASN 59 11.230 -3.776 -5.344 458 2HB ASN 59 HB1 ASN 59 11.556 -4.699 -6.811 459 1HD2 ASN 59 HD22 ASN 59 14.299 -2.094 -5.642 460 2HD2 ASN 59 HD21 ASN 59 13.118 -2.780 -4.636 461 H MET 60 HN MET 60 9.096 -1.764 -9.005 462 HA MET 60 HA MET 60 10.312 -3.389 -11.140 463 1HB MET 60 HB2 MET 60 7.844 -1.976 -10.819 464 2HB MET 60 HB1 MET 60 8.678 -1.331 -12.235 465 1HG MET 60 HG2 MET 60 7.272 -3.254 -12.863 466 2HG MET 60 HG1 MET 60 8.979 -3.638 -13.091 467 1HE MET 60 HE2 MET 60 8.659 -5.955 -13.257 468 2HE MET 60 HE1 MET 60 8.122 -7.090 -12.022 469 3HE MET 60 HE3 MET 60 6.939 -6.124 -12.914 470 HA PRO 61 HA PRO 61 11.848 1.025 -12.351 471 1HB PRO 61 HB2 PRO 61 11.979 2.639 -9.970 472 2HB PRO 61 HB1 PRO 61 11.028 2.938 -11.433 473 1HG PRO 61 HG2 PRO 61 10.039 2.170 -8.863 474 2HG PRO 61 HG1 PRO 61 9.111 2.344 -10.358 475 1HD PRO 61 HD2 PRO 61 9.904 -0.091 -8.986 476 2HD PRO 61 HD1 PRO 61 8.812 0.091 -10.373 477 H ASN 62 HN ASN 62 13.798 2.496 -10.916 478 HA ASN 62 HA ASN 62 15.745 0.359 -10.365 479 1HB ASN 62 HB2 ASN 62 17.232 2.477 -9.948 480 2HB ASN 62 HB1 ASN 62 16.722 2.102 -11.595 481 1HD2 ASN 62 HD22 ASN 62 14.142 4.820 -10.037 482 2HD2 ASN 62 HD21 ASN 62 14.262 3.252 -9.399 483 H MET 63 HN MET 63 15.559 -0.532 -8.339 484 HA MET 63 HA MET 63 15.327 -0.654 -5.999 485 1HB MET 63 HB2 MET 63 16.773 2.002 -6.258 486 2HB MET 63 HB1 MET 63 16.610 1.083 -4.761 487 1HG MET 63 HG2 MET 63 17.586 -0.629 -6.879 488 2HG MET 63 HG1 MET 63 18.619 0.793 -6.718 489 1HE MET 63 HE1 MET 63 20.266 1.187 -5.025 490 2HE MET 63 HE3 MET 63 18.906 1.744 -4.040 491 3HE MET 63 HE2 MET 63 20.140 0.703 -3.335 492 H ASP 64 HN ASP 64 13.045 -0.462 -5.808 493 HA ASP 64 HA ASP 64 12.151 2.119 -4.696 494 1HB ASP 64 HB2 ASP 64 11.786 2.093 -7.252 495 2HB ASP 64 HB1 ASP 64 10.538 0.888 -6.929 496 H GLY 65 HN GLY 65 9.591 1.785 -4.274 497 1HA GLY 65 HA2 GLY 65 8.058 0.686 -2.885 498 2HA GLY 65 HA1 GLY 65 8.502 -0.745 -3.757 499 H LEU 66 HN LEU 66 10.405 -1.980 -2.936 500 HA LEU 66 HA LEU 66 10.304 -2.605 -0.241 501 1HB LEU 66 HB2 LEU 66 12.739 -2.648 -2.048 502 2HB LEU 66 HB1 LEU 66 12.658 -3.451 -0.481 503 HG LEU 66 HG LEU 66 10.765 -3.989 -2.795 504 1HD1 LEU 66 HD12 LEU 66 13.446 -4.901 -2.298 505 2HD1 LEU 66 HD11 LEU 66 12.334 -6.259 -2.128 506 3HD1 LEU 66 HD13 LEU 66 12.368 -5.327 -3.626 507 1HD2 LEU 66 HD21 LEU 66 10.990 -4.979 0.022 508 2HD2 LEU 66 HD23 LEU 66 9.550 -4.701 -0.957 509 3HD2 LEU 66 HD22 LEU 66 10.533 -6.141 -1.220 510 H GLU 67 HN GLU 67 13.023 -0.637 -1.518 511 HA GLU 67 HA GLU 67 13.776 0.371 1.040 512 1HB GLU 67 HB2 GLU 67 15.152 0.458 -1.090 513 2HB GLU 67 HB1 GLU 67 14.142 1.811 -1.600 514 1HG GLU 67 HG2 GLU 67 14.752 2.984 0.539 515 2HG GLU 67 HG1 GLU 67 15.895 1.681 0.867 516 H LEU 68 HN LEU 68 11.480 1.541 -1.363 517 HA LEU 68 HA LEU 68 10.958 4.114 -0.304 518 1HB LEU 68 HB2 LEU 68 9.751 4.004 -2.218 519 2HB LEU 68 HB1 LEU 68 9.792 2.267 -2.188 520 HG LEU 68 HG LEU 68 7.822 2.208 -0.718 521 1HD1 LEU 68 HD11 LEU 68 8.546 4.935 -0.271 522 2HD1 LEU 68 HD13 LEU 68 6.944 4.911 -1.006 523 3HD1 LEU 68 HD12 LEU 68 7.241 4.021 0.484 524 1HD2 LEU 68 HD23 LEU 68 7.911 2.939 -3.412 525 2HD2 LEU 68 HD22 LEU 68 6.489 2.360 -2.541 526 3HD2 LEU 68 HD21 LEU 68 6.783 4.090 -2.696 527 H LEU 69 HN LEU 69 9.820 0.934 0.687 528 HA LEU 69 HA LEU 69 7.983 2.079 2.688 529 1HB LEU 69 HB2 LEU 69 7.919 -0.222 1.288 530 2HB LEU 69 HB1 LEU 69 8.745 -0.796 2.731 531 HG LEU 69 HG LEU 69 6.132 0.734 2.797 532 1HD1 LEU 69 HD11 LEU 69 6.771 -2.082 2.241 533 2HD1 LEU 69 HD13 LEU 69 5.585 -1.847 3.527 534 3HD1 LEU 69 HD12 LEU 69 5.301 -1.175 1.927 535 1HD2 LEU 69 HD22 LEU 69 7.707 -0.876 4.834 536 2HD2 LEU 69 HD21 LEU 69 7.337 0.845 4.900 537 3HD2 LEU 69 HD23 LEU 69 6.046 -0.338 5.084 538 H LYS 70 HN LYS 70 10.750 -0.176 2.817 539 HA LYS 70 HA LYS 70 11.290 -0.272 5.513 540 1HB LYS 70 HB2 LYS 70 12.668 -1.323 3.674 541 2HB LYS 70 HB1 LYS 70 13.439 0.243 3.435 542 1HG LYS 70 HG2 LYS 70 13.865 0.077 6.047 543 2HG LYS 70 HG1 LYS 70 13.667 -1.649 5.750 544 1HD LYS 70 HD2 LYS 70 15.939 -1.441 5.360 545 2HD LYS 70 HD1 LYS 70 15.324 -1.140 3.736 546 1HE LYS 70 HE2 LYS 70 15.292 1.333 4.325 547 2HE LYS 70 HE1 LYS 70 16.183 0.913 5.788 548 1HZ LYS 70 HZ2 LYS 70 17.186 -0.120 3.245 549 2HZ LYS 70 HZ1 LYS 70 17.396 1.538 3.549 550 3HZ LYS 70 HZ3 LYS 70 18.040 0.393 4.622 551 H THR 71 HN THR 71 11.816 2.472 3.369 552 HA THR 71 HA THR 71 13.340 4.064 5.216 553 HB THR 71 HB THR 71 11.466 5.032 3.036 554 HG1 THR 71 HG1 THR 71 14.230 4.416 2.911 555 1HG2 THR 71 HG23 THR 71 13.018 6.399 4.956 556 2HG2 THR 71 HG22 THR 71 13.895 6.538 3.432 557 3HG2 THR 71 HG21 THR 71 12.222 7.087 3.542 558 H ILE 72 HN ILE 72 9.853 3.824 4.513 559 HA ILE 72 HA ILE 72 8.928 5.843 6.261 560 HB ILE 72 HB ILE 72 7.589 3.158 5.810 561 1HG1 ILE 72 HG12 ILE 72 7.335 5.686 4.150 562 2HG1 ILE 72 HG11 ILE 72 8.314 4.299 3.681 563 1HG2 ILE 72 HG22 ILE 72 6.882 5.425 7.336 564 2HG2 ILE 72 HG21 ILE 72 5.881 5.488 5.886 565 3HG2 ILE 72 HG23 ILE 72 5.849 4.059 6.918 566 1HD1 ILE 72 HD11 ILE 72 6.192 2.889 3.957 567 2HD1 ILE 72 HD13 ILE 72 5.316 4.416 4.035 568 3HD1 ILE 72 HD12 ILE 72 6.220 3.992 2.583 569 NH1 ARG 73 NH1 ARG 73 11.570 -2.824 9.143 570 NH2 ARG 73 NH2 ARG 73 11.730 -1.722 11.111 571 H ARG 73 HN ARG 73 9.939 2.519 6.908 572 HA ARG 73 HA ARG 73 9.142 2.588 9.708 573 1HB ARG 73 HB2 ARG 73 10.741 0.729 7.975 574 2HB ARG 73 HB1 ARG 73 10.845 0.569 9.727 575 1HG ARG 73 HG2 ARG 73 8.385 0.372 9.856 576 2HG ARG 73 HG1 ARG 73 8.286 0.516 8.101 577 1HD ARG 73 HD2 ARG 73 8.211 -1.830 8.589 578 2HD ARG 73 HD1 ARG 73 9.826 -1.504 7.965 579 HE ARG 73 HE ARG 73 9.175 -1.988 10.835 580 1HH1 ARG 73 HH11 ARG 73 11.022 -3.140 8.369 581 2HH1 ARG 73 HH12 ARG 73 12.546 -3.040 9.184 582 1HH2 ARG 73 HH21 ARG 73 11.303 -1.193 11.843 583 2HH2 ARG 73 HH22 ARG 73 12.706 -1.938 11.151 584 H ALA 74 HN ALA 74 11.796 3.820 7.917 585 HA ALA 74 HA ALA 74 13.937 3.649 9.740 586 1HB ALA 74 HB3 ALA 74 13.970 4.641 7.395 587 2HB ALA 74 HB2 ALA 74 13.305 6.113 8.102 588 3HB ALA 74 HB1 ALA 74 14.891 5.531 8.607 589 H ASP 75 HN ASP 75 11.062 5.652 9.846 590 HA ASP 75 HA ASP 75 11.958 7.589 11.738 591 1HB ASP 75 HB2 ASP 75 9.821 7.760 10.476 592 2HB ASP 75 HB1 ASP 75 9.170 6.431 11.436 593 H GLY 76 HN GLY 76 9.393 6.338 13.358 594 1HA GLY 76 HA2 GLY 76 9.997 4.128 14.810 595 2HA GLY 76 HA1 GLY 76 11.128 5.296 15.496 596 H ALA 77 HN ALA 77 9.304 7.569 15.131 597 HA ALA 77 HA ALA 77 7.730 7.178 17.576 598 1HB ALA 77 HB3 ALA 77 9.037 9.323 16.705 599 2HB ALA 77 HB2 ALA 77 7.503 9.645 15.895 600 3HB ALA 77 HB1 ALA 77 7.557 9.488 17.651 601 H MET 78 HN MET 78 7.229 6.797 14.239 602 HA MET 78 HA MET 78 4.276 6.670 14.679 603 1HB MET 78 HB2 MET 78 5.715 7.897 12.308 604 2HB MET 78 HB1 MET 78 3.984 7.563 12.354 605 1HG MET 78 HG2 MET 78 4.658 8.975 14.742 606 2HG MET 78 HG1 MET 78 5.371 9.843 13.383 607 1HE MET 78 HE3 MET 78 3.093 10.654 15.459 608 2HE MET 78 HE2 MET 78 1.431 10.565 14.881 609 3HE MET 78 HE1 MET 78 2.252 9.099 15.410 610 H SER 79 HN SER 79 6.056 4.483 14.809 611 HA SER 79 HA SER 79 6.140 3.141 12.218 612 1HB SER 79 HB2 SER 79 7.218 1.381 13.351 613 2HB SER 79 HB1 SER 79 7.700 2.798 14.280 614 HG SER 79 HG SER 79 6.914 1.598 15.851 615 H ALA 80 HN ALA 80 3.558 3.901 12.513 616 HA ALA 80 HA ALA 80 2.146 1.328 13.103 617 1HB ALA 80 HB3 ALA 80 1.813 3.834 14.431 618 2HB ALA 80 HB2 ALA 80 0.363 3.533 13.473 619 3HB ALA 80 HB1 ALA 80 0.893 2.348 14.667 620 H LEU 81 HN LEU 81 2.495 4.167 11.101 621 HA LEU 81 HA LEU 81 0.289 4.348 9.522 622 1HB LEU 81 HB2 LEU 81 2.952 5.056 9.245 623 2HB LEU 81 HB1 LEU 81 2.667 4.030 7.844 624 HG LEU 81 HG LEU 81 2.148 6.330 7.250 625 1HD1 LEU 81 HD13 LEU 81 0.523 4.202 6.803 626 2HD1 LEU 81 HD12 LEU 81 -0.608 5.303 7.584 627 3HD1 LEU 81 HD11 LEU 81 0.237 5.804 6.122 628 1HD2 LEU 81 HD22 LEU 81 1.356 6.615 9.883 629 2HD2 LEU 81 HD21 LEU 81 1.048 7.789 8.605 630 3HD2 LEU 81 HD23 LEU 81 -0.185 6.603 9.027 631 HA PRO 82 HA PRO 82 0.008 -0.106 8.455 632 1HB PRO 82 HB2 PRO 82 -2.541 0.400 7.238 633 2HB PRO 82 HB1 PRO 82 -2.212 -0.465 8.737 634 1HG PRO 82 HG2 PRO 82 -3.417 2.106 8.464 635 2HG PRO 82 HG1 PRO 82 -2.956 1.301 9.966 636 1HD PRO 82 HD2 PRO 82 -1.681 3.557 8.667 637 2HD PRO 82 HD1 PRO 82 -1.320 2.849 10.254 638 H VAL 83 HN VAL 83 1.339 -0.441 6.706 639 HA VAL 83 HA VAL 83 0.565 0.773 4.077 640 HB VAL 83 HB VAL 83 3.185 -0.357 5.094 641 1HG1 VAL 83 HG11 VAL 83 2.116 0.016 2.309 642 2HG1 VAL 83 HG13 VAL 83 3.809 0.393 2.610 643 3HG1 VAL 83 HG12 VAL 83 3.198 -1.229 2.940 644 1HG2 VAL 83 HG21 VAL 83 2.091 2.284 4.826 645 2HG2 VAL 83 HG23 VAL 83 3.690 1.809 5.388 646 3HG2 VAL 83 HG22 VAL 83 3.414 2.100 3.674 647 H LEU 84 HN LEU 84 -0.673 -0.684 2.949 648 HA LEU 84 HA LEU 84 0.013 -3.516 3.301 649 1HB LEU 84 HB2 LEU 84 -2.412 -2.933 3.211 650 2HB LEU 84 HB1 LEU 84 -2.175 -2.252 1.613 651 HG LEU 84 HG LEU 84 -2.011 -4.331 0.592 652 1HD1 LEU 84 HD12 LEU 84 -1.117 -5.476 3.256 653 2HD1 LEU 84 HD11 LEU 84 -1.428 -6.444 1.822 654 3HD1 LEU 84 HD13 LEU 84 -0.125 -5.264 1.813 655 1HD2 LEU 84 HD22 LEU 84 -4.203 -4.057 1.839 656 2HD2 LEU 84 HD21 LEU 84 -3.775 -5.717 1.424 657 3HD2 LEU 84 HD23 LEU 84 -3.541 -5.131 3.070 658 H MET 85 HN MET 85 1.723 -4.131 2.131 659 HA MET 85 HA MET 85 2.400 -2.598 -0.277 660 1HB MET 85 HB2 MET 85 4.096 -3.061 1.411 661 2HB MET 85 HB1 MET 85 3.841 -4.797 1.244 662 1HG MET 85 HG2 MET 85 5.400 -4.808 -0.398 663 2HG MET 85 HG1 MET 85 4.318 -3.824 -1.382 664 1HE MET 85 HE2 MET 85 7.104 -3.973 -1.775 665 2HE MET 85 HE1 MET 85 6.664 -2.466 -2.574 666 3HE MET 85 HE3 MET 85 8.047 -2.518 -1.473 667 H VAL 86 HN VAL 86 1.543 -3.322 -2.227 668 HA VAL 86 HA VAL 86 0.852 -6.195 -2.466 669 HB VAL 86 HB VAL 86 -0.865 -5.583 -3.807 670 1HG1 VAL 86 HG12 VAL 86 -0.959 -4.160 -1.726 671 2HG1 VAL 86 HG11 VAL 86 -0.303 -2.841 -2.693 672 3HG1 VAL 86 HG13 VAL 86 -1.875 -3.530 -3.093 673 1HG2 VAL 86 HG21 VAL 86 0.924 -3.411 -4.858 674 2HG2 VAL 86 HG23 VAL 86 0.343 -4.834 -5.718 675 3HG2 VAL 86 HG22 VAL 86 -0.771 -3.535 -5.306 676 H THR 87 HN THR 87 1.464 -7.416 -4.263 677 HA THR 87 HA THR 87 3.430 -6.258 -6.147 678 HB THR 87 HB THR 87 4.784 -6.995 -4.196 679 HG1 THR 87 HG1 THR 87 5.153 -7.557 -6.673 680 1HG2 THR 87 HG21 THR 87 2.966 -8.905 -3.814 681 2HG2 THR 87 HG23 THR 87 4.110 -9.842 -4.776 682 3HG2 THR 87 HG22 THR 87 4.632 -9.095 -3.265 683 H ALA 88 HN ALA 88 4.262 -9.151 -6.705 684 HA ALA 88 HA ALA 88 1.797 -10.466 -7.549 685 1HB ALA 88 HB3 ALA 88 2.955 -8.548 -9.290 686 2HB ALA 88 HB2 ALA 88 3.333 -10.134 -9.961 687 3HB ALA 88 HB1 ALA 88 1.656 -9.684 -9.654 688 H GLU 89 HN GLU 89 5.214 -10.337 -7.127 689 HA GLU 89 HA GLU 89 5.743 -12.939 -8.351 690 1HB GLU 89 HB2 GLU 89 7.304 -10.764 -7.346 691 2HB GLU 89 HB1 GLU 89 7.795 -12.225 -6.490 692 1HG GLU 89 HG2 GLU 89 7.560 -11.999 -9.504 693 2HG GLU 89 HG1 GLU 89 9.073 -11.884 -8.604 694 H ALA 90 HN ALA 90 6.439 -11.972 -4.983 695 HA ALA 90 HA ALA 90 6.138 -13.156 -2.982 696 1HB ALA 90 HB2 ALA 90 3.697 -12.991 -4.065 697 2HB ALA 90 HB1 ALA 90 3.900 -14.739 -4.163 698 3HB ALA 90 HB3 ALA 90 4.000 -13.928 -2.602 699 H LYS 91 HN LYS 91 7.685 -14.645 -2.553 700 HA LYS 91 HA LYS 91 7.384 -17.361 -3.681 701 1HB LYS 91 HB2 LYS 91 8.935 -15.987 -5.185 702 2HB LYS 91 HB1 LYS 91 10.056 -15.950 -3.824 703 1HG LYS 91 HG2 LYS 91 10.835 -17.911 -4.655 704 2HG LYS 91 HG1 LYS 91 9.385 -18.617 -3.941 705 1HD LYS 91 HD2 LYS 91 8.167 -18.244 -6.066 706 2HD LYS 91 HD1 LYS 91 9.637 -17.577 -6.779 707 1HE LYS 91 HE2 LYS 91 9.556 -19.871 -7.458 708 2HE LYS 91 HE1 LYS 91 10.774 -19.780 -6.187 709 1HZ LYS 91 HZ2 LYS 91 8.366 -20.185 -4.906 710 2HZ LYS 91 HZ1 LYS 91 8.349 -21.245 -6.233 711 3HZ LYS 91 HZ3 LYS 91 9.619 -21.315 -5.111 712 H LYS 92 HN LYS 92 6.766 -16.989 -1.166 713 HA LYS 92 HA LYS 92 7.313 -17.482 1.063 714 1HB LYS 92 HB2 LYS 92 7.885 -19.644 -0.001 715 2HB LYS 92 HB1 LYS 92 9.518 -19.057 -0.306 716 1HG LYS 92 HG2 LYS 92 9.912 -18.808 2.096 717 2HG LYS 92 HG1 LYS 92 8.253 -19.302 2.439 718 1HD LYS 92 HD2 LYS 92 8.680 -21.502 1.433 719 2HD LYS 92 HD1 LYS 92 10.329 -21.014 1.041 720 1HE LYS 92 HE2 LYS 92 10.556 -20.515 3.578 721 2HE LYS 92 HE1 LYS 92 9.112 -21.514 3.751 722 1HZ LYS 92 HZ1 LYS 92 10.643 -22.998 2.114 723 2HZ LYS 92 HZ3 LYS 92 11.817 -22.282 3.106 724 3HZ LYS 92 HZ2 LYS 92 10.563 -23.194 3.800 725 H GLU 93 HN GLU 93 10.676 -17.734 0.040 726 HA GLU 93 HA GLU 93 11.772 -16.165 2.040 727 1HB GLU 93 HB2 GLU 93 13.749 -16.037 0.732 728 2HB GLU 93 HB1 GLU 93 12.968 -17.535 0.221 729 1HG GLU 93 HG2 GLU 93 11.796 -15.901 -1.531 730 2HG GLU 93 HG1 GLU 93 13.255 -14.949 -1.250 731 H ASN 94 HN ASN 94 9.893 -15.098 -0.649 732 HA ASN 94 HA ASN 94 10.880 -12.324 -0.458 733 1HB ASN 94 HB2 ASN 94 9.304 -13.893 -2.360 734 2HB ASN 94 HB1 ASN 94 8.632 -12.288 -2.078 735 1HD2 ASN 94 HD22 ASN 94 11.719 -12.545 -4.527 736 2HD2 ASN 94 HD21 ASN 94 10.631 -13.800 -4.176 737 H ILE 95 HN ILE 95 8.027 -14.219 0.424 738 HA ILE 95 HA ILE 95 6.401 -11.990 1.206 739 HB ILE 95 HB ILE 95 6.306 -14.777 2.394 740 1HG1 ILE 95 HG12 ILE 95 5.358 -13.684 -0.258 741 2HG1 ILE 95 HG11 ILE 95 6.296 -15.145 0.047 742 1HG2 ILE 95 HG22 ILE 95 4.879 -12.788 3.287 743 2HG2 ILE 95 HG21 ILE 95 4.001 -12.934 1.767 744 3HG2 ILE 95 HG23 ILE 95 4.048 -14.289 2.894 745 1HD1 ILE 95 HD11 ILE 95 4.222 -15.925 1.406 746 2HD1 ILE 95 HD13 ILE 95 3.367 -14.654 0.534 747 3HD1 ILE 95 HD12 ILE 95 4.129 -15.972 -0.355 748 H ILE 96 HN ILE 96 9.178 -13.440 2.646 749 HA ILE 96 HA ILE 96 8.561 -12.432 5.347 750 HB ILE 96 HB ILE 96 10.890 -13.865 4.091 751 1HG1 ILE 96 HG12 ILE 96 10.509 -15.397 5.970 752 2HG1 ILE 96 HG11 ILE 96 9.306 -14.299 6.646 753 1HG2 ILE 96 HG23 ILE 96 10.907 -12.140 6.568 754 2HG2 ILE 96 HG22 ILE 96 11.958 -13.550 6.452 755 3HG2 ILE 96 HG21 ILE 96 12.114 -12.238 5.284 756 1HD1 ILE 96 HD13 ILE 96 9.072 -15.495 3.875 757 2HD1 ILE 96 HD12 ILE 96 8.361 -16.241 5.307 758 3HD1 ILE 96 HD11 ILE 96 7.826 -14.642 4.788 759 H ALA 97 HN ALA 97 10.692 -11.636 2.626 760 HA ALA 97 HA ALA 97 12.088 -9.457 3.691 761 1HB ALA 97 HB2 ALA 97 12.409 -10.284 1.369 762 2HB ALA 97 HB1 ALA 97 10.835 -9.626 0.927 763 3HB ALA 97 HB3 ALA 97 12.143 -8.541 1.397 764 H ALA 98 HN ALA 98 8.723 -9.814 2.941 765 HA ALA 98 HA ALA 98 7.891 -7.183 2.645 766 1HB ALA 98 HB2 ALA 98 6.581 -9.564 3.020 767 2HB ALA 98 HB1 ALA 98 6.173 -8.683 4.490 768 3HB ALA 98 HB3 ALA 98 5.788 -8.004 2.912 769 H ALA 99 HN ALA 99 8.199 -8.920 5.784 770 HA ALA 99 HA ALA 99 7.580 -6.690 7.372 771 1HB ALA 99 HB3 ALA 99 8.380 -9.245 7.927 772 2HB ALA 99 HB2 ALA 99 9.838 -8.350 8.356 773 3HB ALA 99 HB1 ALA 99 8.306 -7.968 9.142 774 H GLN 100 HN GLN 100 10.671 -7.638 5.894 775 HA GLN 100 HA GLN 100 12.227 -5.496 6.991 776 1HB GLN 100 HB2 GLN 100 12.547 -7.528 4.963 777 2HB GLN 100 HB1 GLN 100 13.121 -5.980 4.341 778 1HG GLN 100 HG2 GLN 100 14.937 -7.177 5.497 779 2HG GLN 100 HG1 GLN 100 14.524 -5.693 6.356 780 1HE2 GLN 100 HE22 GLN 100 13.295 -9.257 8.027 781 2HE2 GLN 100 HE21 GLN 100 13.395 -9.135 6.337 782 H ALA 101 HN ALA 101 9.869 -5.681 4.428 783 HA ALA 101 HA ALA 101 9.930 -2.733 4.192 784 1HB ALA 101 HB1 ALA 101 11.156 -4.319 2.253 785 2HB ALA 101 HB3 ALA 101 9.577 -3.927 1.571 786 3HB ALA 101 HB2 ALA 101 10.664 -2.636 2.075 787 H GLY 102 HN GLY 102 8.387 -5.423 2.429 788 1HA GLY 102 HA2 GLY 102 5.845 -4.239 2.268 789 2HA GLY 102 HA1 GLY 102 6.117 -5.958 2.077 790 H ALA 103 HN ALA 103 5.772 -3.443 4.213 791 HA ALA 103 HA ALA 103 5.827 -4.547 6.741 792 1HB ALA 103 HB2 ALA 103 4.505 -2.151 5.583 793 2HB ALA 103 HB1 ALA 103 4.593 -2.447 7.319 794 3HB ALA 103 HB3 ALA 103 6.071 -2.255 6.379 795 H SER 104 HN SER 104 2.994 -2.872 6.607 796 HA SER 104 HA SER 104 1.364 -4.314 8.149 797 1HB SER 104 HB2 SER 104 0.826 -2.253 6.575 798 2HB SER 104 HB1 SER 104 -0.008 -3.487 5.638 799 HG SER 104 HG SER 104 -0.331 -3.265 8.432 800 H GLY 105 HN GLY 105 1.284 -5.040 4.633 801 1HA GLY 105 HA2 GLY 105 1.048 -7.882 5.263 802 2HA GLY 105 HA1 GLY 105 -0.429 -7.184 4.635 803 OH TYR 106 OH TYR 106 1.680 -13.562 -2.747 804 H TYR 106 HN TYR 106 0.513 -9.090 3.107 805 HA TYR 106 HA TYR 106 1.756 -7.626 0.832 806 1HB TYR 106 HB2 TYR 106 3.543 -9.017 0.969 807 2HB TYR 106 HB1 TYR 106 2.743 -10.031 2.169 808 HD1 TYR 106 HD1 TYR 106 2.992 -9.374 -1.522 809 HD2 TYR 106 HD2 TYR 106 1.717 -12.098 1.552 810 HE1 TYR 106 HE1 TYR 106 2.571 -11.121 -3.224 811 HE2 TYR 106 HE2 TYR 106 1.299 -13.832 -0.154 812 HH TYR 106 HH TYR 106 1.625 -14.408 -2.296 813 H VAL 107 HN VAL 107 0.207 -7.535 -0.705 814 HA VAL 107 HA VAL 107 -1.519 -9.966 -1.068 815 HB VAL 107 HB VAL 107 -2.812 -8.033 -0.146 816 1HG1 VAL 107 HG12 VAL 107 -1.243 -6.469 -1.672 817 2HG1 VAL 107 HG11 VAL 107 -2.631 -6.619 -2.746 818 3HG1 VAL 107 HG13 VAL 107 -2.834 -5.965 -1.121 819 1HG2 VAL 107 HG23 VAL 107 -3.343 -9.597 -2.496 820 2HG2 VAL 107 HG22 VAL 107 -4.490 -8.998 -1.298 821 3HG2 VAL 107 HG21 VAL 107 -4.077 -8.006 -2.695 822 H VAL 108 HN VAL 108 -1.188 -10.890 -2.995 823 HA VAL 108 HA VAL 108 0.627 -9.924 -4.903 824 HB VAL 108 HB VAL 108 -0.362 -11.575 -6.452 825 1HG1 VAL 108 HG11 VAL 108 -0.210 -12.428 -3.549 826 2HG1 VAL 108 HG13 VAL 108 -0.279 -13.561 -4.899 827 3HG1 VAL 108 HG12 VAL 108 1.092 -12.463 -4.739 828 1HG2 VAL 108 HG22 VAL 108 -2.647 -11.304 -4.534 829 2HG2 VAL 108 HG21 VAL 108 -2.673 -11.447 -6.290 830 3HG2 VAL 108 HG23 VAL 108 -2.377 -12.872 -5.294 831 H LYS 109 HN LYS 109 -0.573 -9.785 -7.406 832 HA LYS 109 HA LYS 109 -2.867 -7.991 -7.347 833 1HB LYS 109 HB2 LYS 109 -1.851 -5.945 -7.723 834 2HB LYS 109 HB1 LYS 109 -0.631 -6.706 -6.711 835 1HG LYS 109 HG2 LYS 109 0.414 -7.563 -8.911 836 2HG LYS 109 HG1 LYS 109 -0.621 -6.378 -9.714 837 1HD LYS 109 HD2 LYS 109 0.355 -4.595 -8.284 838 2HD LYS 109 HD1 LYS 109 1.432 -5.792 -7.562 839 1HE LYS 109 HE2 LYS 109 2.865 -5.578 -9.282 840 2HE LYS 109 HE1 LYS 109 1.590 -6.011 -10.420 841 1HZ LYS 109 HZ2 LYS 109 1.383 -3.335 -9.369 842 2HZ LYS 109 HZ1 LYS 109 2.783 -3.603 -10.293 843 3HZ LYS 109 HZ3 LYS 109 1.255 -3.887 -10.971 844 HA PRO 110 HA PRO 110 -3.724 -6.420 -8.962 845 1HB PRO 110 HB2 PRO 110 -5.859 -7.191 -10.713 846 2HB PRO 110 HB1 PRO 110 -4.795 -5.785 -10.864 847 1HG PRO 110 HG2 PRO 110 -4.830 -8.081 -12.551 848 2HG PRO 110 HG1 PRO 110 -3.651 -6.763 -12.578 849 1HD PRO 110 HD2 PRO 110 -3.337 -9.492 -11.544 850 2HD PRO 110 HD1 PRO 110 -2.091 -8.272 -11.877 851 H PHE 111 HN PHE 111 -5.645 -6.482 -7.619 852 HA PHE 111 HA PHE 111 -6.683 -9.237 -7.035 853 1HB PHE 111 HB2 PHE 111 -7.275 -8.083 -4.751 854 2HB PHE 111 HB1 PHE 111 -5.630 -8.638 -5.030 855 HD1 PHE 111 HD2 PHE 111 -7.825 -5.614 -5.398 856 HD2 PHE 111 HD1 PHE 111 -3.858 -7.124 -4.856 857 HE1 PHE 111 HE2 PHE 111 -6.964 -3.305 -5.222 858 HE2 PHE 111 HE1 PHE 111 -2.994 -4.822 -4.671 859 HZ PHE 111 HZ PHE 111 -4.549 -2.901 -4.846 860 H THR 112 HN THR 112 -8.891 -9.355 -6.447 861 HA THR 112 HA THR 112 -10.560 -7.260 -7.707 862 HB THR 112 HB THR 112 -11.769 -9.635 -6.351 863 HG1 THR 112 HG1 THR 112 -10.844 -11.030 -7.608 864 1HG2 THR 112 HG21 THR 112 -12.972 -7.802 -7.683 865 2HG2 THR 112 HG23 THR 112 -12.248 -8.528 -9.118 866 3HG2 THR 112 HG22 THR 112 -13.352 -9.469 -8.114 867 H ALA 113 HN ALA 113 -12.178 -6.144 -6.396 868 HA ALA 113 HA ALA 113 -11.292 -5.313 -3.868 869 1HB ALA 113 HB1 ALA 113 -13.392 -4.597 -5.456 870 2HB ALA 113 HB3 ALA 113 -14.247 -5.454 -4.173 871 3HB ALA 113 HB2 ALA 113 -13.223 -4.072 -3.780 872 H ALA 114 HN ALA 114 -12.662 -8.318 -4.718 873 HA ALA 114 HA ALA 114 -13.632 -8.901 -2.012 874 1HB ALA 114 HB2 ALA 114 -13.406 -10.438 -4.585 875 2HB ALA 114 HB1 ALA 114 -13.596 -11.326 -3.073 876 3HB ALA 114 HB3 ALA 114 -14.826 -10.166 -3.575 877 H THR 115 HN THR 115 -10.755 -9.462 -3.968 878 HA THR 115 HA THR 115 -9.522 -11.212 -2.002 879 HB THR 115 HB THR 115 -7.467 -10.051 -3.503 880 HG1 THR 115 HG1 THR 115 -8.247 -9.765 -5.475 881 1HG2 THR 115 HG22 THR 115 -9.128 -12.548 -3.908 882 2HG2 THR 115 HG21 THR 115 -7.634 -12.222 -4.786 883 3HG2 THR 115 HG23 THR 115 -7.604 -12.408 -3.033 884 H LEU 116 HN LEU 116 -8.690 -7.798 -3.023 885 HA LEU 116 HA LEU 116 -6.987 -7.338 -0.850 886 1HB LEU 116 HB2 LEU 116 -8.303 -5.709 -2.799 887 2HB LEU 116 HB1 LEU 116 -8.579 -4.967 -1.227 888 HG LEU 116 HG LEU 116 -5.920 -5.571 -2.554 889 1HD1 LEU 116 HD12 LEU 116 -7.334 -3.410 -2.889 890 2HD1 LEU 116 HD11 LEU 116 -6.818 -3.009 -1.258 891 3HD1 LEU 116 HD13 LEU 116 -5.620 -3.243 -2.527 892 1HD2 LEU 116 HD23 LEU 116 -6.577 -5.367 0.316 893 2HD2 LEU 116 HD22 LEU 116 -5.127 -6.005 -0.465 894 3HD2 LEU 116 HD21 LEU 116 -5.306 -4.269 -0.217 895 H GLU 117 HN GLU 117 -10.552 -7.274 -0.942 896 HA GLU 117 HA GLU 117 -11.042 -6.113 1.568 897 1HB GLU 117 HB2 GLU 117 -12.449 -8.056 -0.177 898 2HB GLU 117 HB1 GLU 117 -12.968 -7.994 1.503 899 1HG GLU 117 HG2 GLU 117 -13.565 -5.711 1.366 900 2HG GLU 117 HG1 GLU 117 -12.642 -5.471 -0.117 901 H GLU 118 HN GLU 118 -11.041 -9.617 0.956 902 HA GLU 118 HA GLU 118 -10.982 -10.571 3.549 903 1HB GLU 118 HB2 GLU 118 -9.795 -11.551 0.986 904 2HB GLU 118 HB1 GLU 118 -9.321 -12.366 2.477 905 1HG GLU 118 HG2 GLU 118 -11.675 -12.775 3.031 906 2HG GLU 118 HG1 GLU 118 -12.182 -11.910 1.580 907 H LYS 119 HN LYS 119 -8.388 -8.954 1.838 908 HA LYS 119 HA LYS 119 -6.382 -9.725 3.834 909 1HB LYS 119 HB2 LYS 119 -6.413 -8.170 1.302 910 2HB LYS 119 HB1 LYS 119 -5.192 -7.706 2.486 911 1HG LYS 119 HG2 LYS 119 -4.287 -9.421 0.994 912 2HG LYS 119 HG1 LYS 119 -4.447 -10.079 2.619 913 1HD LYS 119 HD2 LYS 119 -6.327 -11.370 2.050 914 2HD LYS 119 HD1 LYS 119 -6.684 -10.394 0.626 915 1HE LYS 119 HE2 LYS 119 -5.740 -12.508 -0.105 916 2HE LYS 119 HE1 LYS 119 -4.562 -11.236 -0.417 917 1HZ LYS 119 HZ1 LYS 119 -4.221 -12.234 2.198 918 2HZ LYS 119 HZ3 LYS 119 -4.215 -13.531 1.104 919 3HZ LYS 119 HZ2 LYS 119 -3.121 -12.245 0.903 920 H LEU 120 HN LEU 120 -8.182 -6.730 3.010 921 HA LEU 120 HA LEU 120 -6.914 -5.184 5.076 922 1HB LEU 120 HB2 LEU 120 -9.468 -4.843 3.506 923 2HB LEU 120 HB1 LEU 120 -9.096 -3.759 4.840 924 HG LEU 120 HG LEU 120 -7.377 -4.211 2.375 925 1HD1 LEU 120 HD11 LEU 120 -9.606 -2.773 2.407 926 2HD1 LEU 120 HD13 LEU 120 -8.572 -1.591 3.211 927 3HD1 LEU 120 HD12 LEU 120 -8.162 -2.166 1.595 928 1HD2 LEU 120 HD23 LEU 120 -6.878 -2.864 4.985 929 2HD2 LEU 120 HD22 LEU 120 -5.731 -3.580 3.853 930 3HD2 LEU 120 HD21 LEU 120 -6.391 -1.975 3.543 931 H ASN 121 HN ASN 121 -10.202 -6.610 4.983 932 HA ASN 121 HA ASN 121 -10.934 -6.034 7.620 933 1HB ASN 121 HB2 ASN 121 -11.684 -8.081 5.627 934 2HB ASN 121 HB1 ASN 121 -12.015 -8.525 7.301 935 1HD2 ASN 121 HD22 ASN 121 -13.780 -5.020 6.054 936 2HD2 ASN 121 HD21 ASN 121 -12.165 -5.326 5.632 937 H LYS 122 HN LYS 122 -8.630 -8.404 6.472 938 HA LYS 122 HA LYS 122 -8.503 -9.766 9.074 939 1HB LYS 122 HB2 LYS 122 -8.092 -11.020 6.977 940 2HB LYS 122 HB1 LYS 122 -6.697 -9.994 6.645 941 1HG LYS 122 HG2 LYS 122 -5.422 -10.940 8.331 942 2HG LYS 122 HG1 LYS 122 -6.831 -11.382 9.294 943 1HD LYS 122 HD2 LYS 122 -5.766 -13.382 8.309 944 2HD LYS 122 HD1 LYS 122 -7.394 -13.151 7.672 945 1HE LYS 122 HE2 LYS 122 -5.104 -11.896 6.209 946 2HE LYS 122 HE1 LYS 122 -5.360 -13.631 6.037 947 1HZ LYS 122 HZ1 LYS 122 -7.803 -12.914 5.642 948 2HZ LYS 122 HZ3 LYS 122 -7.120 -11.409 5.258 949 3HZ LYS 122 HZ2 LYS 122 -6.675 -12.792 4.376 950 H ILE 123 HN ILE 123 -6.976 -7.105 7.465 951 HA ILE 123 HA ILE 123 -4.662 -7.077 9.294 952 HB ILE 123 HB ILE 123 -5.568 -5.416 6.962 953 1HG1 ILE 123 HG12 ILE 123 -2.813 -6.494 7.518 954 2HG1 ILE 123 HG11 ILE 123 -4.081 -7.569 6.928 955 1HG2 ILE 123 HG23 ILE 123 -3.650 -4.627 9.146 956 2HG2 ILE 123 HG22 ILE 123 -3.408 -4.053 7.497 957 3HG2 ILE 123 HG21 ILE 123 -4.891 -3.652 8.360 958 1HD1 ILE 123 HD11 ILE 123 -3.191 -5.001 5.583 959 2HD1 ILE 123 HD13 ILE 123 -2.776 -6.631 5.053 960 3HD1 ILE 123 HD12 ILE 123 -4.451 -6.086 4.997 961 H PHE 124 HN PHE 124 -7.661 -5.240 8.740 962 HA PHE 124 HA PHE 124 -7.096 -3.227 10.683 963 1HB PHE 124 HB2 PHE 124 -9.600 -4.190 9.336 964 2HB PHE 124 HB1 PHE 124 -9.702 -3.042 10.668 965 HD1 PHE 124 HD1 PHE 124 -7.939 -1.050 10.540 966 HD2 PHE 124 HD2 PHE 124 -9.317 -3.336 7.178 967 HE1 PHE 124 HE1 PHE 124 -7.247 0.779 9.025 968 HE2 PHE 124 HE2 PHE 124 -8.638 -1.502 5.662 969 HZ PHE 124 HZ PHE 124 -7.602 0.550 6.571 970 H GLU 125 HN GLU 125 -7.593 -6.494 11.129 971 HA GLU 125 HA GLU 125 -9.141 -6.381 13.586 972 1HB GLU 125 HB2 GLU 125 -8.665 -8.437 12.024 973 2HB GLU 125 HB1 GLU 125 -7.173 -8.575 12.955 974 1HG GLU 125 HG2 GLU 125 -8.550 -8.580 15.052 975 2HG GLU 125 HG1 GLU 125 -10.000 -8.613 14.049 976 H LYS 126 HN LYS 126 -5.822 -5.958 12.672 977 HA LYS 126 HA LYS 126 -4.883 -6.050 15.475 978 1HB LYS 126 HB2 LYS 126 -3.610 -5.938 12.782 979 2HB LYS 126 HB1 LYS 126 -2.736 -5.162 14.104 980 1HG LYS 126 HG2 LYS 126 -2.864 -7.241 15.421 981 2HG LYS 126 HG1 LYS 126 -3.752 -8.021 14.111 982 1HD LYS 126 HD2 LYS 126 -1.500 -6.959 12.854 983 2HD LYS 126 HD1 LYS 126 -0.882 -7.576 14.387 984 1HE LYS 126 HE2 LYS 126 -2.559 -9.134 12.396 985 2HE LYS 126 HE1 LYS 126 -0.829 -9.338 12.673 986 1HZ LYS 126 HZ2 LYS 126 -2.336 -9.466 15.096 987 2HZ LYS 126 HZ1 LYS 126 -2.833 -10.647 13.981 988 3HZ LYS 126 HZ3 LYS 126 -1.209 -10.569 14.465 989 H LEU 127 HN LEU 127 -5.586 -3.761 12.885 990 HA LEU 127 HA LEU 127 -4.586 -1.459 14.371 991 1HB LEU 127 HB2 LEU 127 -5.455 -1.964 11.703 992 2HB LEU 127 HB1 LEU 127 -6.533 -0.734 12.357 993 HG LEU 127 HG LEU 127 -4.589 0.310 11.300 994 1HD1 LEU 127 HD12 LEU 127 -5.584 0.915 13.770 995 2HD1 LEU 127 HD11 LEU 127 -3.865 0.750 14.127 996 3HD1 LEU 127 HD13 LEU 127 -4.407 1.903 12.909 997 1HD2 LEU 127 HD22 LEU 127 -3.215 -1.873 12.493 998 2HD2 LEU 127 HD21 LEU 127 -2.546 -0.621 11.447 999 3HD2 LEU 127 HD23 LEU 127 -2.549 -0.399 13.196 1000 H GLY 128 HN GLY 128 -7.419 -3.377 14.418 1001 1HA GLY 128 HA2 GLY 128 -9.430 -3.152 15.603 1002 2HA GLY 128 HA1 GLY 128 -8.563 -2.004 16.625 1003 H MET 129 HN MET 129 -10.512 -2.323 13.708 1004 HA MET 129 HA MET 129 -11.163 0.588 13.910 1005 1HB MET 129 HB2 MET 129 -10.068 -0.936 11.642 1006 2HB MET 129 HB1 MET 129 -11.505 0.003 11.242 1007 1HG MET 129 HG2 MET 129 -9.454 1.341 10.914 1008 2HG MET 129 HG1 MET 129 -10.458 2.024 12.193 1009 1HE MET 129 HE3 MET 129 -8.823 3.368 13.417 1010 2HE MET 129 HE2 MET 129 -9.798 2.397 14.518 1011 3HE MET 129 HE1 MET 129 -8.077 2.607 14.830 Start of MODEL 25 Raw file had 1011 H/Q atoms Start of MODEL 25 1 H ALA 2 HN ALA 2 -15.011 0.241 6.627 2 HA ALA 2 HA ALA 2 -14.252 0.474 9.474 3 1HB ALA 2 HB3 ALA 2 -12.872 -0.891 7.915 4 2HB ALA 2 HB2 ALA 2 -12.523 0.564 6.982 5 3HB ALA 2 HB1 ALA 2 -11.948 0.422 8.643 6 H ASP 3 HN ASP 3 -14.562 2.472 6.596 7 HA ASP 3 HA ASP 3 -14.833 4.903 7.990 8 1HB ASP 3 HB2 ASP 3 -12.058 4.007 7.695 9 2HB ASP 3 HB1 ASP 3 -12.336 5.607 7.007 10 H LYS 4 HN LYS 4 -15.599 6.381 6.522 11 HA LYS 4 HA LYS 4 -15.487 5.642 3.668 12 1HB LYS 4 HB2 LYS 4 -17.592 6.430 4.945 13 2HB LYS 4 HB1 LYS 4 -16.903 8.044 4.786 14 1HG LYS 4 HG2 LYS 4 -18.107 7.983 2.822 15 2HG LYS 4 HG1 LYS 4 -16.610 7.252 2.247 16 1HD LYS 4 HD2 LYS 4 -18.141 5.681 1.503 17 2HD LYS 4 HD1 LYS 4 -17.765 5.017 3.093 18 1HE LYS 4 HE2 LYS 4 -20.145 5.027 2.964 19 2HE LYS 4 HE1 LYS 4 -19.728 6.413 3.972 20 1HZ LYS 4 HZ2 LYS 4 -19.782 7.750 1.858 21 2HZ LYS 4 HZ1 LYS 4 -20.513 6.407 1.117 22 3HZ LYS 4 HZ3 LYS 4 -21.285 7.185 2.412 23 H GLU 5 HN GLU 5 -13.091 6.715 5.104 24 HA GLU 5 HA GLU 5 -12.258 8.572 3.058 25 1HB GLU 5 HB2 GLU 5 -13.795 9.900 4.736 26 2HB GLU 5 HB1 GLU 5 -12.364 9.863 5.765 27 1HG GLU 5 HG2 GLU 5 -11.056 10.767 3.782 28 2HG GLU 5 HG1 GLU 5 -12.609 11.038 2.988 29 H LEU 6 HN LEU 6 -11.119 6.148 4.169 30 HA LEU 6 HA LEU 6 -9.012 7.017 5.984 31 1HB LEU 6 HB2 LEU 6 -9.923 4.719 6.101 32 2HB LEU 6 HB1 LEU 6 -9.331 4.413 4.476 33 HG LEU 6 HG LEU 6 -7.017 4.842 5.238 34 1HD1 LEU 6 HD13 LEU 6 -8.479 5.469 7.772 35 2HD1 LEU 6 HD12 LEU 6 -6.895 4.705 7.891 36 3HD1 LEU 6 HD11 LEU 6 -7.066 6.257 7.070 37 1HD2 LEU 6 HD21 LEU 6 -8.761 2.701 6.272 38 2HD2 LEU 6 HD23 LEU 6 -7.246 2.589 5.380 39 3HD2 LEU 6 HD22 LEU 6 -7.227 2.880 7.121 40 H LYS 7 HN LYS 7 -7.383 8.253 5.170 41 HA LYS 7 HA LYS 7 -6.871 8.737 2.468 42 1HB LYS 7 HB2 LYS 7 -5.088 8.952 4.893 43 2HB LYS 7 HB1 LYS 7 -4.604 9.524 3.300 44 1HG LYS 7 HG2 LYS 7 -5.936 11.346 3.421 45 2HG LYS 7 HG1 LYS 7 -7.289 10.411 4.058 46 1HD LYS 7 HD2 LYS 7 -6.258 10.427 6.296 47 2HD LYS 7 HD1 LYS 7 -4.896 11.354 5.666 48 1HE LYS 7 HE2 LYS 7 -6.770 13.010 4.846 49 2HE LYS 7 HE1 LYS 7 -7.740 12.222 6.091 50 1HZ LYS 7 HZ3 LYS 7 -5.097 12.916 6.974 51 2HZ LYS 7 HZ2 LYS 7 -6.014 14.267 6.502 52 3HZ LYS 7 HZ1 LYS 7 -6.597 13.218 7.705 53 H PHE 8 HN PHE 8 -6.254 7.328 0.917 54 HA PHE 8 HA PHE 8 -4.269 5.206 1.586 55 1HB PHE 8 HB2 PHE 8 -6.283 5.437 -0.678 56 2HB PHE 8 HB1 PHE 8 -5.025 4.224 -0.635 57 HD1 PHE 8 HD2 PHE 8 -8.151 5.387 0.863 58 HD2 PHE 8 HD1 PHE 8 -5.140 2.342 0.923 59 HE1 PHE 8 HE2 PHE 8 -9.610 3.968 2.266 60 HE2 PHE 8 HE1 PHE 8 -6.614 0.905 2.320 61 HZ PHE 8 HZ PHE 8 -8.851 1.727 2.994 62 H LEU 9 HN LEU 9 -2.466 4.970 0.139 63 HA LEU 9 HA LEU 9 -2.052 7.304 -1.697 64 1HB LEU 9 HB2 LEU 9 -0.490 7.502 0.144 65 2HB LEU 9 HB1 LEU 9 -0.015 5.814 -0.015 66 HG LEU 9 HG LEU 9 0.997 6.223 -2.181 67 1HD1 LEU 9 HD13 LEU 9 -0.345 8.895 -1.888 68 2HD1 LEU 9 HD12 LEU 9 1.063 8.717 -2.926 69 3HD1 LEU 9 HD11 LEU 9 -0.397 7.786 -3.255 70 1HD2 LEU 9 HD22 LEU 9 1.703 8.159 0.013 71 2HD2 LEU 9 HD21 LEU 9 2.575 6.724 -0.532 72 3HD2 LEU 9 HD23 LEU 9 2.576 8.184 -1.516 73 H VAL 10 HN VAL 10 -2.403 6.490 -3.720 74 HA VAL 10 HA VAL 10 -1.635 3.680 -4.284 75 HB VAL 10 HB VAL 10 -2.766 5.351 -6.450 76 1HG1 VAL 10 HG12 VAL 10 -2.434 2.831 -6.436 77 2HG1 VAL 10 HG11 VAL 10 -3.720 2.749 -5.232 78 3HG1 VAL 10 HG13 VAL 10 -4.062 3.371 -6.845 79 1HG2 VAL 10 HG23 VAL 10 -4.279 4.763 -3.886 80 2HG2 VAL 10 HG22 VAL 10 -3.971 6.346 -4.594 81 3HG2 VAL 10 HG21 VAL 10 -5.056 5.219 -5.402 82 H VAL 11 HN VAL 11 0.310 3.232 -5.209 83 HA VAL 11 HA VAL 11 1.561 5.308 -6.911 84 HB VAL 11 HB VAL 11 3.040 3.429 -5.062 85 1HG1 VAL 11 HG13 VAL 11 3.856 5.583 -7.001 86 2HG1 VAL 11 HG12 VAL 11 4.860 5.232 -5.596 87 3HG1 VAL 11 HG11 VAL 11 4.533 3.971 -6.785 88 1HG2 VAL 11 HG22 VAL 11 1.755 6.007 -4.595 89 2HG2 VAL 11 HG21 VAL 11 2.474 4.891 -3.433 90 3HG2 VAL 11 HG23 VAL 11 3.485 6.065 -4.270 91 H ASP 12 HN ASP 12 1.295 4.479 -8.934 92 HA ASP 12 HA ASP 12 2.509 1.835 -9.479 93 1HB ASP 12 HB2 ASP 12 0.046 2.088 -10.983 94 2HB ASP 12 HB1 ASP 12 0.578 0.769 -9.940 95 H ASP 13 HN ASP 13 3.619 1.894 -11.400 96 HA ASP 13 HA ASP 13 3.680 4.405 -12.890 97 1HB ASP 13 HB2 ASP 13 5.116 1.763 -13.141 98 2HB ASP 13 HB1 ASP 13 5.277 3.012 -14.375 99 H PHE 14 HN PHE 14 1.120 3.608 -13.138 100 HA PHE 14 HA PHE 14 0.959 2.889 -16.008 101 1HB PHE 14 HB2 PHE 14 0.257 1.087 -13.866 102 2HB PHE 14 HB1 PHE 14 -1.190 1.523 -14.776 103 HD1 PHE 14 HD2 PHE 14 -0.980 1.467 -17.384 104 HD2 PHE 14 HD1 PHE 14 1.697 -0.562 -14.706 105 HE1 PHE 14 HE2 PHE 14 -0.283 -0.043 -19.225 106 HE2 PHE 14 HE1 PHE 14 2.393 -2.072 -16.546 107 HZ PHE 14 HZ PHE 14 1.404 -1.812 -18.806 108 H SER 15 HN SER 15 -0.628 4.063 -17.022 109 HA SER 15 HA SER 15 -2.112 6.009 -15.392 110 1HB SER 15 HB2 SER 15 -1.124 6.789 -17.478 111 2HB SER 15 HB1 SER 15 -1.977 5.544 -18.386 112 HG SER 15 HG SER 15 -3.213 7.575 -16.828 113 H THR 16 HN THR 16 -2.689 2.939 -15.649 114 HA THR 16 HA THR 16 -5.634 3.302 -15.826 115 HB THR 16 HB THR 16 -5.971 1.716 -17.466 116 HG1 THR 16 HG1 THR 16 -3.592 0.598 -16.460 117 1HG2 THR 16 HG22 THR 16 -4.516 3.528 -18.405 118 2HG2 THR 16 HG21 THR 16 -3.115 2.496 -18.111 119 3HG2 THR 16 HG23 THR 16 -4.358 1.991 -19.256 120 H MET 17 HN MET 17 -3.005 2.220 -14.128 121 HA MET 17 HA MET 17 -4.355 -0.124 -12.933 122 1HB MET 17 HB2 MET 17 -2.001 -0.424 -13.169 123 2HB MET 17 HB1 MET 17 -1.657 1.174 -12.506 124 1HG MET 17 HG2 MET 17 -2.168 0.518 -10.313 125 2HG MET 17 HG1 MET 17 -3.126 -0.863 -10.849 126 1HE MET 17 HE2 MET 17 -1.747 -1.153 -8.722 127 2HE MET 17 HE1 MET 17 -0.837 -2.649 -8.898 128 3HE MET 17 HE3 MET 17 0.013 -1.117 -8.656 129 NH1 ARG 18 NH1 ARG 18 -0.825 8.753 -11.502 130 NH2 ARG 18 NH2 ARG 18 0.515 7.451 -10.232 131 H ARG 18 HN ARG 18 -3.926 3.260 -12.370 132 HA ARG 18 HA ARG 18 -4.474 3.177 -9.513 133 1HB ARG 18 HB2 ARG 18 -5.188 5.678 -10.842 134 2HB ARG 18 HB1 ARG 18 -4.000 5.378 -9.578 135 1HG ARG 18 HG2 ARG 18 -2.452 4.465 -11.346 136 2HG ARG 18 HG1 ARG 18 -3.624 4.975 -12.560 137 1HD ARG 18 HD2 ARG 18 -2.897 7.100 -12.475 138 2HD ARG 18 HD1 ARG 18 -3.061 7.146 -10.722 139 HE ARG 18 HE ARG 18 -0.701 5.678 -11.598 140 1HH1 ARG 18 HH11 ARG 18 -1.599 8.847 -12.129 141 2HH1 ARG 18 HH12 ARG 18 -0.307 9.561 -11.222 142 1HH2 ARG 18 HH21 ARG 18 0.770 6.548 -9.885 143 2HH2 ARG 18 HH22 ARG 18 1.034 8.258 -9.952 144 NH1 ARG 19 NH1 ARG 19 -11.079 1.590 -15.956 145 NH2 ARG 19 NH2 ARG 19 -11.231 3.091 -17.638 146 H ARG 19 HN ARG 19 -6.385 3.935 -12.428 147 HA ARG 19 HA ARG 19 -8.795 4.571 -11.092 148 1HB ARG 19 HB2 ARG 19 -9.902 4.192 -13.196 149 2HB ARG 19 HB1 ARG 19 -8.309 4.855 -13.564 150 1HG ARG 19 HG2 ARG 19 -7.516 2.418 -13.751 151 2HG ARG 19 HG1 ARG 19 -9.226 1.984 -13.778 152 1HD ARG 19 HD2 ARG 19 -7.888 3.916 -15.695 153 2HD ARG 19 HD1 ARG 19 -8.318 2.247 -16.071 154 HE ARG 19 HE ARG 19 -10.275 4.441 -15.564 155 1HH1 ARG 19 HH11 ARG 19 -10.716 1.324 -15.063 156 2HH1 ARG 19 HH12 ARG 19 -11.689 0.972 -16.453 157 1HH2 ARG 19 HH21 ARG 19 -10.985 3.976 -18.035 158 2HH2 ARG 19 HH22 ARG 19 -11.841 2.474 -18.135 159 H ILE 20 HN ILE 20 -7.209 1.538 -11.532 160 HA ILE 20 HA ILE 20 -9.551 -0.142 -11.220 161 HB ILE 20 HB ILE 20 -6.586 -0.544 -11.188 162 1HG1 ILE 20 HG12 ILE 20 -8.775 -2.116 -12.563 163 2HG1 ILE 20 HG11 ILE 20 -8.126 -0.619 -13.236 164 1HG2 ILE 20 HG22 ILE 20 -8.636 -2.408 -9.982 165 2HG2 ILE 20 HG21 ILE 20 -7.140 -3.020 -10.684 166 3HG2 ILE 20 HG23 ILE 20 -7.078 -1.910 -9.316 167 1HD1 ILE 20 HD13 ILE 20 -6.162 -2.687 -12.366 168 2HD1 ILE 20 HD12 ILE 20 -7.076 -3.009 -13.840 169 3HD1 ILE 20 HD11 ILE 20 -6.080 -1.559 -13.718 170 H VAL 21 HN VAL 21 -6.860 0.650 -8.982 171 HA VAL 21 HA VAL 21 -8.146 -0.568 -6.731 172 HB VAL 21 HB VAL 21 -6.420 1.460 -5.773 173 1HG1 VAL 21 HG12 VAL 21 -5.974 -1.485 -6.356 174 2HG1 VAL 21 HG11 VAL 21 -4.966 -0.499 -5.296 175 3HG1 VAL 21 HG13 VAL 21 -6.649 -0.814 -4.872 176 1HG2 VAL 21 HG22 VAL 21 -5.701 1.751 -8.133 177 2HG2 VAL 21 HG21 VAL 21 -4.412 1.075 -7.138 178 3HG2 VAL 21 HG23 VAL 21 -5.332 0.029 -8.219 179 NH1 ARG 22 NH1 ARG 22 -8.559 8.316 -6.060 180 NH2 ARG 22 NH2 ARG 22 -7.354 8.903 -7.878 181 H ARG 22 HN ARG 22 -8.516 2.553 -8.222 182 HA ARG 22 HA ARG 22 -9.523 4.042 -6.010 183 1HB ARG 22 HB2 ARG 22 -9.555 4.239 -8.927 184 2HB ARG 22 HB1 ARG 22 -11.038 4.852 -8.209 185 1HG ARG 22 HG2 ARG 22 -9.489 6.695 -8.350 186 2HG ARG 22 HG1 ARG 22 -9.613 6.244 -6.651 187 1HD ARG 22 HD2 ARG 22 -7.553 4.795 -6.999 188 2HD ARG 22 HD1 ARG 22 -7.392 5.542 -8.586 189 HE ARG 22 HE ARG 22 -6.203 6.748 -6.548 190 1HH1 ARG 22 HH11 ARG 22 -8.799 7.644 -5.359 191 2HH1 ARG 22 HH12 ARG 22 -9.003 9.212 -6.065 192 1HH2 ARG 22 HH21 ARG 22 -6.670 8.683 -8.572 193 2HH2 ARG 22 HH22 ARG 22 -7.800 9.799 -7.882 194 H ASN 23 HN ASN 23 -11.292 2.157 -8.469 195 HA ASN 23 HA ASN 23 -13.866 2.403 -7.251 196 1HB ASN 23 HB2 ASN 23 -12.765 1.365 -9.564 197 2HB ASN 23 HB1 ASN 23 -13.307 -0.057 -8.714 198 1HD2 ASN 23 HD22 ASN 23 -16.607 0.504 -9.814 199 2HD2 ASN 23 HD21 ASN 23 -15.347 -0.602 -9.546 200 H LEU 24 HN LEU 24 -11.584 -0.286 -7.408 201 HA LEU 24 HA LEU 24 -12.740 -2.190 -5.810 202 1HB LEU 24 HB2 LEU 24 -10.420 -2.152 -6.918 203 2HB LEU 24 HB1 LEU 24 -9.865 -1.366 -5.453 204 HG LEU 24 HG LEU 24 -11.422 -3.797 -4.899 205 1HD1 LEU 24 HD13 LEU 24 -10.405 -4.484 -7.047 206 2HD1 LEU 24 HD12 LEU 24 -8.815 -4.037 -6.430 207 3HD1 LEU 24 HD11 LEU 24 -9.704 -5.370 -5.693 208 1HD2 LEU 24 HD23 LEU 24 -8.674 -2.754 -4.162 209 2HD2 LEU 24 HD22 LEU 24 -10.106 -2.833 -3.142 210 3HD2 LEU 24 HD21 LEU 24 -9.277 -4.313 -3.618 211 H LEU 25 HN LEU 25 -10.899 0.625 -4.572 212 HA LEU 25 HA LEU 25 -11.386 -0.043 -1.792 213 1HB LEU 25 HB2 LEU 25 -10.368 2.362 -3.271 214 2HB LEU 25 HB1 LEU 25 -10.873 2.551 -1.597 215 HG LEU 25 HG LEU 25 -9.039 0.288 -2.343 216 1HD1 LEU 25 HD11 LEU 25 -8.337 3.208 -2.073 217 2HD1 LEU 25 HD13 LEU 25 -7.168 1.952 -1.661 218 3HD1 LEU 25 HD12 LEU 25 -7.811 2.057 -3.300 219 1HD2 LEU 25 HD23 LEU 25 -9.484 1.985 0.137 220 2HD2 LEU 25 HD22 LEU 25 -9.881 0.282 -0.068 221 3HD2 LEU 25 HD21 LEU 25 -8.197 0.793 -0.010 222 H LYS 26 HN LYS 26 -12.900 2.198 -4.104 223 HA LYS 26 HA LYS 26 -14.813 3.306 -2.366 224 1HB LYS 26 HB2 LYS 26 -14.285 3.967 -4.791 225 2HB LYS 26 HB1 LYS 26 -15.360 2.653 -5.267 226 1HG LYS 26 HG2 LYS 26 -17.230 3.669 -4.145 227 2HG LYS 26 HG1 LYS 26 -16.193 4.871 -3.377 228 1HD LYS 26 HD2 LYS 26 -17.370 5.848 -5.307 229 2HD LYS 26 HD1 LYS 26 -15.629 5.802 -5.594 230 1HE LYS 26 HE2 LYS 26 -15.794 4.032 -7.118 231 2HE LYS 26 HE1 LYS 26 -17.357 3.509 -6.490 232 1HZ LYS 26 HZ1 LYS 26 -18.155 5.790 -7.300 233 2HZ LYS 26 HZ3 LYS 26 -16.742 5.802 -8.239 234 3HZ LYS 26 HZ2 LYS 26 -17.894 4.572 -8.456 235 H GLU 27 HN GLU 27 -14.719 0.186 -3.993 236 HA GLU 27 HA GLU 27 -17.419 -0.566 -3.773 237 1HB GLU 27 HB2 GLU 27 -15.720 -1.924 -4.951 238 2HB GLU 27 HB1 GLU 27 -14.979 -2.324 -3.401 239 1HG GLU 27 HG2 GLU 27 -17.835 -2.843 -3.350 240 2HG GLU 27 HG1 GLU 27 -17.053 -3.723 -4.664 241 H LEU 28 HN LEU 28 -14.806 -0.743 -1.385 242 HA LEU 28 HA LEU 28 -16.515 -1.958 0.635 243 1HB LEU 28 HB2 LEU 28 -13.917 -2.057 0.461 244 2HB LEU 28 HB1 LEU 28 -13.961 -0.467 1.216 245 HG LEU 28 HG LEU 28 -15.349 -1.440 3.069 246 1HD1 LEU 28 HD12 LEU 28 -15.157 -3.804 1.317 247 2HD1 LEU 28 HD11 LEU 28 -14.774 -4.130 3.006 248 3HD1 LEU 28 HD13 LEU 28 -16.330 -3.427 2.576 249 1HD2 LEU 28 HD21 LEU 28 -12.543 -2.202 2.437 250 2HD2 LEU 28 HD23 LEU 28 -13.178 -1.278 3.798 251 3HD2 LEU 28 HD22 LEU 28 -13.303 -3.037 3.791 252 H GLY 29 HN GLY 29 -14.990 1.262 0.378 253 1HA GLY 29 HA2 GLY 29 -17.038 2.959 0.759 254 2HA GLY 29 HA1 GLY 29 -16.841 2.292 2.375 255 H PHE 30 HN PHE 30 -15.042 3.959 -0.196 256 HA PHE 30 HA PHE 30 -13.651 5.528 1.886 257 1HB PHE 30 HB2 PHE 30 -12.180 3.840 -0.163 258 2HB PHE 30 HB1 PHE 30 -11.418 5.072 0.836 259 HD1 PHE 30 HD1 PHE 30 -12.086 4.846 3.465 260 HD2 PHE 30 HD2 PHE 30 -12.019 1.648 0.597 261 HE1 PHE 30 HE1 PHE 30 -11.833 3.201 5.301 262 HE2 PHE 30 HE2 PHE 30 -11.769 0.006 2.434 263 HZ PHE 30 HZ PHE 30 -11.675 0.781 4.787 264 H ASN 31 HN ASN 31 -12.889 7.557 1.055 265 HA ASN 31 HA ASN 31 -13.169 8.037 -1.847 266 1HB ASN 31 HB2 ASN 31 -15.416 8.431 -0.579 267 2HB ASN 31 HB1 ASN 31 -14.626 9.892 0.018 268 1HD2 ASN 31 HD22 ASN 31 -14.138 10.573 -3.777 269 2HD2 ASN 31 HD21 ASN 31 -13.044 9.861 -2.691 270 H ASN 32 HN ASN 32 -10.725 8.125 -0.693 271 HA ASN 32 HA ASN 32 -9.913 10.862 -1.058 272 1HB ASN 32 HB2 ASN 32 -10.943 10.416 1.470 273 2HB ASN 32 HB1 ASN 32 -9.211 10.211 1.713 274 1HD2 ASN 32 HD22 ASN 32 -8.446 13.632 1.127 275 2HD2 ASN 32 HD21 ASN 32 -7.811 12.066 1.293 276 H VAL 33 HN VAL 33 -8.136 10.230 -2.247 277 HA VAL 33 HA VAL 33 -5.982 8.820 -0.780 278 HB VAL 33 HB VAL 33 -5.743 7.045 -2.252 279 1HG1 VAL 33 HG12 VAL 33 -7.992 6.925 -1.163 280 2HG1 VAL 33 HG11 VAL 33 -8.684 7.660 -2.608 281 3HG1 VAL 33 HG13 VAL 33 -7.918 6.076 -2.705 282 1HG2 VAL 33 HG21 VAL 33 -7.037 8.869 -4.282 283 2HG2 VAL 33 HG23 VAL 33 -5.427 8.147 -4.325 284 3HG2 VAL 33 HG22 VAL 33 -6.850 7.144 -4.584 285 H GLU 34 HN GLU 34 -3.984 8.719 -2.470 286 HA GLU 34 HA GLU 34 -3.955 11.239 -4.070 287 1HB GLU 34 HB2 GLU 34 -2.037 10.422 -1.907 288 2HB GLU 34 HB1 GLU 34 -1.540 11.510 -3.200 289 1HG GLU 34 HG2 GLU 34 -4.127 12.155 -1.907 290 2HG GLU 34 HG1 GLU 34 -2.703 12.363 -0.891 291 H GLU 35 HN GLU 35 -1.352 11.041 -5.017 292 HA GLU 35 HA GLU 35 -1.058 8.282 -6.026 293 1HB GLU 35 HB2 GLU 35 -1.617 10.652 -7.819 294 2HB GLU 35 HB1 GLU 35 -1.060 9.082 -8.396 295 1HG GLU 35 HG2 GLU 35 -3.075 8.068 -7.209 296 2HG GLU 35 HG1 GLU 35 -3.667 9.717 -6.998 297 H ALA 36 HN ALA 36 0.965 7.841 -6.953 298 HA ALA 36 HA ALA 36 2.969 10.038 -7.010 299 1HB ALA 36 HB3 ALA 36 2.805 8.209 -4.883 300 2HB ALA 36 HB2 ALA 36 4.127 7.624 -5.893 301 3HB ALA 36 HB1 ALA 36 4.162 9.269 -5.259 302 H GLU 37 HN GLU 37 5.198 8.554 -7.654 303 HA GLU 37 HA GLU 37 4.373 6.769 -9.894 304 1HB GLU 37 HB2 GLU 37 6.526 8.804 -10.369 305 2HB GLU 37 HB1 GLU 37 5.495 7.978 -11.537 306 1HG GLU 37 HG2 GLU 37 3.535 9.250 -10.522 307 2HG GLU 37 HG1 GLU 37 4.729 10.222 -9.660 308 H ASP 38 HN ASP 38 6.068 6.909 -7.159 309 HA ASP 38 HA ASP 38 7.638 4.631 -7.592 310 1HB ASP 38 HB2 ASP 38 8.868 7.091 -8.642 311 2HB ASP 38 HB1 ASP 38 9.891 6.246 -7.486 312 H GLY 39 HN GLY 39 9.474 4.509 -5.835 313 1HA GLY 39 HA2 GLY 39 8.257 5.253 -3.345 314 2HA GLY 39 HA1 GLY 39 9.876 4.582 -3.504 315 H VAL 40 HN VAL 40 10.548 6.842 -5.441 316 HA VAL 40 HA VAL 40 11.510 8.696 -3.416 317 HB VAL 40 HB VAL 40 12.958 8.536 -5.265 318 1HG1 VAL 40 HG13 VAL 40 10.402 8.432 -6.808 319 2HG1 VAL 40 HG12 VAL 40 11.829 9.063 -7.626 320 3HG1 VAL 40 HG11 VAL 40 11.845 7.432 -6.960 321 1HG2 VAL 40 HG22 VAL 40 12.196 10.934 -4.602 322 2HG2 VAL 40 HG21 VAL 40 13.080 10.735 -6.115 323 3HG2 VAL 40 HG23 VAL 40 11.326 10.921 -6.136 324 H ASP 41 HN ASP 41 8.912 8.640 -5.808 325 HA ASP 41 HA ASP 41 8.062 11.375 -5.315 326 1HB ASP 41 HB2 ASP 41 7.610 9.777 -7.354 327 2HB ASP 41 HB1 ASP 41 6.266 9.214 -6.370 328 H ALA 42 HN ALA 42 7.116 8.151 -4.200 329 HA ALA 42 HA ALA 42 4.921 9.143 -2.570 330 1HB ALA 42 HB3 ALA 42 5.768 6.633 -3.457 331 2HB ALA 42 HB2 ALA 42 6.024 6.591 -1.714 332 3HB ALA 42 HB1 ALA 42 4.429 6.954 -2.355 333 H LEU 43 HN LEU 43 8.335 8.364 -2.016 334 HA LEU 43 HA LEU 43 8.313 8.450 0.822 335 1HB LEU 43 HB2 LEU 43 10.303 7.712 -0.358 336 2HB LEU 43 HB1 LEU 43 10.479 9.288 -1.129 337 HG LEU 43 HG LEU 43 10.312 9.435 1.802 338 1HD1 LEU 43 HD13 LEU 43 12.508 7.861 0.445 339 2HD1 LEU 43 HD12 LEU 43 12.730 8.635 2.014 340 3HD1 LEU 43 HD11 LEU 43 11.513 7.374 1.818 341 1HD2 LEU 43 HD21 LEU 43 10.961 11.299 0.267 342 2HD2 LEU 43 HD23 LEU 43 12.209 10.946 1.461 343 3HD2 LEU 43 HD22 LEU 43 12.392 10.380 -0.199 344 H ASN 44 HN ASN 44 8.993 11.084 -1.502 345 HA ASN 44 HA ASN 44 9.184 13.142 0.465 346 1HB ASN 44 HB2 ASN 44 8.674 13.059 -2.484 347 2HB ASN 44 HB1 ASN 44 8.391 14.571 -1.623 348 1HD2 ASN 44 HD22 ASN 44 12.164 13.493 -2.472 349 2HD2 ASN 44 HD21 ASN 44 10.809 12.709 -3.130 350 H LYS 45 HN LYS 45 6.417 11.675 -1.131 351 HA LYS 45 HA LYS 45 4.584 13.703 -0.022 352 1HB LYS 45 HB2 LYS 45 4.515 11.943 -2.239 353 2HB LYS 45 HB1 LYS 45 3.246 11.396 -1.148 354 1HG LYS 45 HG2 LYS 45 2.192 13.014 -2.522 355 2HG LYS 45 HG1 LYS 45 2.522 13.871 -1.020 356 1HD LYS 45 HD2 LYS 45 4.504 14.905 -1.992 357 2HD LYS 45 HD1 LYS 45 4.335 13.936 -3.454 358 1HE LYS 45 HE2 LYS 45 3.452 16.331 -3.590 359 2HE LYS 45 HE1 LYS 45 2.330 15.063 -4.087 360 1HZ LYS 45 HZ1 LYS 45 2.401 16.097 -1.316 361 2HZ LYS 45 HZ3 LYS 45 1.449 16.822 -2.519 362 3HZ LYS 45 HZ2 LYS 45 1.171 15.205 -2.079 363 H LEU 46 HN LEU 46 5.830 10.605 0.876 364 HA LEU 46 HA LEU 46 3.639 9.635 2.429 365 1HB LEU 46 HB2 LEU 46 6.357 8.898 1.985 366 2HB LEU 46 HB1 LEU 46 6.131 9.006 3.724 367 HG LEU 46 HG LEU 46 5.649 6.727 2.857 368 1HD1 LEU 46 HD13 LEU 46 4.216 8.118 4.707 369 2HD1 LEU 46 HD12 LEU 46 2.937 7.630 3.597 370 3HD1 LEU 46 HD11 LEU 46 3.965 6.411 4.345 371 1HD2 LEU 46 HD22 LEU 46 4.333 8.135 0.789 372 2HD2 LEU 46 HD21 LEU 46 4.423 6.388 0.998 373 3HD2 LEU 46 HD23 LEU 46 3.072 7.288 1.683 374 H GLN 47 HN GLN 47 6.133 12.021 3.071 375 HA GLN 47 HA GLN 47 5.315 12.318 5.881 376 1HB GLN 47 HB2 GLN 47 7.236 13.866 4.116 377 2HB GLN 47 HB1 GLN 47 6.925 14.270 5.805 378 1HG GLN 47 HG2 GLN 47 7.469 11.436 5.517 379 2HG GLN 47 HG1 GLN 47 8.786 12.397 4.842 380 1HE2 GLN 47 HE22 GLN 47 9.692 13.840 7.999 381 2HE2 GLN 47 HE21 GLN 47 9.739 14.099 6.322 382 H ALA 48 HN ALA 48 3.975 13.144 2.998 383 HA ALA 48 HA ALA 48 3.278 15.816 3.010 384 1HB ALA 48 HB3 ALA 48 1.493 13.436 2.441 385 2HB ALA 48 HB2 ALA 48 1.076 15.101 2.037 386 3HB ALA 48 HB1 ALA 48 2.466 14.331 1.274 387 H GLY 49 HN GLY 49 1.002 13.417 4.383 388 1HA GLY 49 HA2 GLY 49 0.592 15.281 6.697 389 2HA GLY 49 HA1 GLY 49 -0.791 14.640 5.811 390 H GLY 50 HN GLY 50 -1.226 12.373 5.941 391 1HA GLY 50 HA2 GLY 50 0.397 10.629 7.602 392 2HA GLY 50 HA1 GLY 50 -1.070 11.162 8.424 393 OH TYR 51 OH TYR 51 -0.538 11.561 -0.536 394 H TYR 51 HN TYR 51 0.004 9.704 5.357 395 HA TYR 51 HA TYR 51 -2.510 8.856 4.425 396 1HB TYR 51 HB2 TYR 51 0.259 7.695 4.148 397 2HB TYR 51 HB1 TYR 51 -1.133 6.909 3.415 398 HD1 TYR 51 HD1 TYR 51 -2.784 8.633 2.141 399 HD2 TYR 51 HD2 TYR 51 1.408 9.215 2.833 400 HE1 TYR 51 HE1 TYR 51 -2.704 10.265 0.284 401 HE2 TYR 51 HE2 TYR 51 1.497 10.831 0.962 402 HH TYR 51 HH TYR 51 -0.291 12.414 -0.171 403 H GLY 52 HN GLY 52 -3.875 8.013 5.991 404 1HA GLY 52 HA2 GLY 52 -3.113 6.192 8.037 405 2HA GLY 52 HA1 GLY 52 -4.749 6.370 7.423 406 H PHE 53 HN PHE 53 -2.848 5.747 4.790 407 HA PHE 53 HA PHE 53 -2.493 2.882 5.075 408 1HB PHE 53 HB2 PHE 53 -5.082 3.730 4.615 409 2HB PHE 53 HB1 PHE 53 -4.484 3.345 3.012 410 HD1 PHE 53 HD2 PHE 53 -5.213 2.003 6.368 411 HD2 PHE 53 HD1 PHE 53 -3.889 1.072 2.399 412 HE1 PHE 53 HE2 PHE 53 -5.575 -0.384 6.813 413 HE2 PHE 53 HE1 PHE 53 -4.265 -1.325 2.831 414 HZ PHE 53 HZ PHE 53 -5.100 -2.071 5.050 415 H VAL 54 HN VAL 54 -1.222 2.098 3.347 416 HA VAL 54 HA VAL 54 -0.883 3.911 0.990 417 HB VAL 54 HB VAL 54 1.426 2.485 2.296 418 1HG1 VAL 54 HG11 VAL 54 1.106 3.703 -0.204 419 2HG1 VAL 54 HG13 VAL 54 1.999 4.875 0.764 420 3HG1 VAL 54 HG12 VAL 54 2.630 3.243 0.555 421 1HG2 VAL 54 HG22 VAL 54 0.434 4.232 3.820 422 2HG2 VAL 54 HG21 VAL 54 2.077 4.604 3.303 423 3HG2 VAL 54 HG23 VAL 54 0.709 5.420 2.548 424 H ILE 55 HN ILE 55 -0.487 2.867 -0.946 425 HA ILE 55 HA ILE 55 -0.432 -0.130 -0.906 426 HB ILE 55 HB ILE 55 -2.113 1.672 -2.697 427 1HG1 ILE 55 HG12 ILE 55 -3.044 -0.435 -0.734 428 2HG1 ILE 55 HG11 ILE 55 -2.891 1.267 -0.297 429 1HG2 ILE 55 HG23 ILE 55 -1.692 -1.326 -2.645 430 2HG2 ILE 55 HG22 ILE 55 -3.021 -0.544 -3.502 431 3HG2 ILE 55 HG21 ILE 55 -1.355 -0.218 -3.975 432 1HD1 ILE 55 HD13 ILE 55 -4.421 0.514 -2.770 433 2HD1 ILE 55 HD12 ILE 55 -5.194 0.357 -1.192 434 3HD1 ILE 55 HD11 ILE 55 -4.607 1.930 -1.733 435 H SER 56 HN SER 56 1.892 0.151 -1.355 436 HA SER 56 HA SER 56 2.547 1.431 -3.969 437 1HB SER 56 HB2 SER 56 4.951 1.050 -3.070 438 2HB SER 56 HB1 SER 56 3.970 2.309 -2.325 439 HG SER 56 HG SER 56 3.763 -0.277 -1.305 440 H ASP 57 HN ASP 57 3.545 0.288 -5.612 441 HA ASP 57 HA ASP 57 3.011 -2.491 -5.872 442 1HB ASP 57 HB2 ASP 57 4.592 -2.345 -7.838 443 2HB ASP 57 HB1 ASP 57 3.305 -1.141 -7.844 444 CH2 TRP 58 CH2 TRP 58 10.025 -6.166 -1.035 445 H TRP 58 HN TRP 58 6.110 -2.462 -6.916 446 HA TRP 58 HA TRP 58 7.462 -3.108 -4.391 447 1HB TRP 58 HB2 TRP 58 6.187 -5.175 -4.863 448 2HB TRP 58 HB1 TRP 58 6.916 -5.257 -6.464 449 HD1 TRP 58 HD1 TRP 58 9.056 -6.613 -6.639 450 HE1 TRP 58 HE1 TRP 58 10.799 -7.531 -4.974 451 HE3 TRP 58 HE3 TRP 58 7.351 -4.494 -2.326 452 HZ2 TRP 58 HZ2 TRP 58 11.387 -7.385 -2.174 453 HZ3 TRP 58 HZ3 TRP 58 8.515 -4.901 -0.176 454 HH2 TRP 58 HH2 TRP 58 10.525 -6.338 -0.094 455 H ASN 59 HN ASN 59 7.984 -4.362 -7.679 456 HA ASN 59 HA ASN 59 10.681 -3.159 -7.664 457 1HB ASN 59 HB2 ASN 59 11.080 -4.498 -9.650 458 2HB ASN 59 HB1 ASN 59 10.287 -5.516 -8.448 459 1HD2 ASN 59 HD22 ASN 59 7.187 -5.668 -10.275 460 2HD2 ASN 59 HD21 ASN 59 7.823 -5.703 -8.703 461 H MET 60 HN MET 60 11.028 -1.198 -8.568 462 HA MET 60 HA MET 60 10.044 -0.366 -11.082 463 1HB MET 60 HB2 MET 60 8.105 -0.068 -8.989 464 2HB MET 60 HB1 MET 60 8.620 1.535 -9.518 465 1HG MET 60 HG2 MET 60 7.750 -0.668 -11.409 466 2HG MET 60 HG1 MET 60 6.692 0.619 -10.836 467 1HE MET 60 HE1 MET 60 6.738 0.079 -13.448 468 2HE MET 60 HE3 MET 60 7.410 1.299 -14.537 469 3HE MET 60 HE2 MET 60 8.346 -0.138 -14.134 470 HA PRO 61 HA PRO 61 11.961 3.426 -8.801 471 1HB PRO 61 HB2 PRO 61 13.108 2.538 -6.317 472 2HB PRO 61 HB1 PRO 61 11.847 3.754 -6.559 473 1HG PRO 61 HG2 PRO 61 11.533 1.132 -5.449 474 2HG PRO 61 HG1 PRO 61 10.263 2.317 -5.780 475 1HD PRO 61 HD2 PRO 61 10.863 -0.127 -7.207 476 2HD PRO 61 HD1 PRO 61 9.508 0.986 -7.454 477 H ASN 62 HN ASN 62 14.466 3.686 -7.908 478 HA ASN 62 HA ASN 62 16.124 2.477 -9.826 479 1HB ASN 62 HB2 ASN 62 18.014 3.184 -8.431 480 2HB ASN 62 HB1 ASN 62 16.779 4.442 -8.452 481 1HD2 ASN 62 HD22 ASN 62 15.779 2.784 -5.075 482 2HD2 ASN 62 HD21 ASN 62 15.135 2.477 -6.614 483 H MET 63 HN MET 63 14.707 1.047 -7.073 484 HA MET 63 HA MET 63 16.270 -1.422 -7.564 485 1HB MET 63 HB2 MET 63 16.386 0.227 -5.100 486 2HB MET 63 HB1 MET 63 16.177 -1.507 -4.850 487 1HG MET 63 HG2 MET 63 18.310 -0.335 -6.652 488 2HG MET 63 HG1 MET 63 18.588 -0.742 -4.959 489 1HE MET 63 HE2 MET 63 20.350 -1.551 -6.610 490 2HE MET 63 HE1 MET 63 20.582 -3.094 -5.792 491 3HE MET 63 HE3 MET 63 20.295 -3.049 -7.537 492 H ASP 64 HN ASP 64 14.283 -0.738 -4.736 493 HA ASP 64 HA ASP 64 11.921 -2.016 -5.949 494 1HB ASP 64 HB2 ASP 64 12.491 -3.342 -3.432 495 2HB ASP 64 HB1 ASP 64 12.158 -4.054 -5.012 496 H GLY 65 HN GLY 65 10.211 -2.268 -4.014 497 1HA GLY 65 HA2 GLY 65 10.101 0.400 -2.780 498 2HA GLY 65 HA1 GLY 65 8.804 -0.792 -2.764 499 H LEU 66 HN LEU 66 11.291 -2.653 -1.881 500 HA LEU 66 HA LEU 66 10.553 -2.904 0.814 501 1HB LEU 66 HB2 LEU 66 12.008 -4.554 -0.296 502 2HB LEU 66 HB1 LEU 66 13.301 -3.364 -0.400 503 HG LEU 66 HG LEU 66 13.460 -3.259 2.037 504 1HD1 LEU 66 HD12 LEU 66 10.986 -4.954 1.865 505 2HD1 LEU 66 HD11 LEU 66 12.065 -5.147 3.245 506 3HD1 LEU 66 HD13 LEU 66 11.324 -3.580 2.918 507 1HD2 LEU 66 HD23 LEU 66 13.982 -5.576 0.449 508 2HD2 LEU 66 HD22 LEU 66 14.843 -5.024 1.886 509 3HD2 LEU 66 HD21 LEU 66 13.469 -6.117 2.048 510 H GLU 67 HN GLU 67 12.545 -0.528 -0.744 511 HA GLU 67 HA GLU 67 13.809 0.493 1.649 512 1HB GLU 67 HB2 GLU 67 14.612 2.233 0.252 513 2HB GLU 67 HB1 GLU 67 14.529 0.827 -0.805 514 1HG GLU 67 HG2 GLU 67 12.143 1.647 -1.378 515 2HG GLU 67 HG1 GLU 67 12.648 3.180 -0.665 516 H LEU 68 HN LEU 68 10.809 1.152 -0.106 517 HA LEU 68 HA LEU 68 10.093 3.553 1.271 518 1HB LEU 68 HB2 LEU 68 8.537 1.388 -0.136 519 2HB LEU 68 HB1 LEU 68 7.691 2.670 0.701 520 HG LEU 68 HG LEU 68 9.800 3.204 -1.398 521 1HD1 LEU 68 HD13 LEU 68 7.316 2.032 -1.896 522 2HD1 LEU 68 HD12 LEU 68 7.007 3.746 -2.126 523 3HD1 LEU 68 HD11 LEU 68 8.270 2.945 -3.059 524 1HD2 LEU 68 HD21 LEU 68 8.419 4.852 0.479 525 2HD2 LEU 68 HD23 LEU 68 9.481 5.365 -0.831 526 3HD2 LEU 68 HD22 LEU 68 7.751 5.200 -1.103 527 H LEU 69 HN LEU 69 9.055 0.194 1.768 528 HA LEU 69 HA LEU 69 7.654 0.545 4.204 529 1HB LEU 69 HB2 LEU 69 8.087 -1.516 2.558 530 2HB LEU 69 HB1 LEU 69 9.282 -1.909 3.789 531 HG LEU 69 HG LEU 69 6.316 -1.479 4.236 532 1HD1 LEU 69 HD12 LEU 69 8.000 -3.825 3.712 533 2HD1 LEU 69 HD11 LEU 69 7.040 -3.981 5.180 534 3HD1 LEU 69 HD13 LEU 69 6.248 -3.665 3.638 535 1HD2 LEU 69 HD22 LEU 69 8.635 -1.800 6.105 536 2HD2 LEU 69 HD21 LEU 69 7.240 -0.749 6.256 537 3HD2 LEU 69 HD23 LEU 69 7.079 -2.481 6.558 538 H LYS 70 HN LYS 70 10.999 -0.676 3.784 539 HA LYS 70 HA LYS 70 11.733 -0.642 6.504 540 1HB LYS 70 HB2 LYS 70 13.157 -1.644 4.776 541 2HB LYS 70 HB1 LYS 70 13.461 -0.054 4.080 542 1HG LYS 70 HG2 LYS 70 14.917 0.552 5.732 543 2HG LYS 70 HG1 LYS 70 14.030 -0.320 6.982 544 1HD LYS 70 HD2 LYS 70 14.897 -2.470 6.056 545 2HD LYS 70 HD1 LYS 70 15.847 -1.553 4.887 546 1HE LYS 70 HE2 LYS 70 16.218 -1.818 7.846 547 2HE LYS 70 HE1 LYS 70 17.424 -1.842 6.560 548 1HZ LYS 70 HZ2 LYS 70 17.035 0.536 6.231 549 2HZ LYS 70 HZ1 LYS 70 15.937 0.540 7.527 550 3HZ LYS 70 HZ3 LYS 70 17.575 0.198 7.806 551 H THR 71 HN THR 71 11.744 1.991 4.125 552 HA THR 71 HA THR 71 13.000 3.899 5.917 553 HB THR 71 HB THR 71 11.316 4.329 3.428 554 HG1 THR 71 HG1 THR 71 13.131 4.082 2.391 555 1HG2 THR 71 HG21 THR 71 12.725 6.173 5.304 556 2HG2 THR 71 HG23 THR 71 12.814 6.533 3.580 557 3HG2 THR 71 HG22 THR 71 11.245 6.428 4.379 558 H ILE 72 HN ILE 72 9.713 2.854 5.271 559 HA ILE 72 HA ILE 72 8.383 5.044 6.592 560 HB ILE 72 HB ILE 72 7.625 2.246 5.797 561 1HG1 ILE 72 HG12 ILE 72 6.000 4.688 5.247 562 2HG1 ILE 72 HG11 ILE 72 7.562 4.558 4.440 563 1HG2 ILE 72 HG23 ILE 72 6.188 4.019 7.752 564 2HG2 ILE 72 HG22 ILE 72 5.291 2.907 6.722 565 3HG2 ILE 72 HG21 ILE 72 6.493 2.287 7.852 566 1HD1 ILE 72 HD12 ILE 72 5.710 2.192 4.415 567 2HD1 ILE 72 HD11 ILE 72 5.414 3.531 3.306 568 3HD1 ILE 72 HD13 ILE 72 6.940 2.654 3.244 569 NH1 ARG 73 NH2 ARG 73 6.771 -0.950 12.687 570 NH2 ARG 73 NH1 ARG 73 5.383 -0.076 11.131 571 H ARG 73 HN ARG 73 10.053 2.201 7.689 572 HA ARG 73 HA ARG 73 8.925 2.331 10.399 573 1HB ARG 73 HB2 ARG 73 10.492 0.454 8.859 574 2HB ARG 73 HB1 ARG 73 11.324 0.801 10.372 575 1HG ARG 73 HG2 ARG 73 9.877 -1.044 10.826 576 2HG ARG 73 HG1 ARG 73 9.094 0.359 11.549 577 1HD ARG 73 HD2 ARG 73 7.663 0.584 9.536 578 2HD ARG 73 HD1 ARG 73 8.448 -0.828 8.831 579 HE ARG 73 HE ARG 73 7.157 -2.196 10.261 580 1HH1 ARG 73 HH21 ARG 73 7.593 -1.471 12.920 581 2HH1 ARG 73 HH22 ARG 73 6.194 -0.576 13.413 582 1HH2 ARG 73 HH11 ARG 73 5.141 0.073 10.173 583 2HH2 ARG 73 HH12 ARG 73 4.806 0.297 11.856 584 H ALA 74 HN ALA 74 11.498 3.778 8.629 585 HA ALA 74 HA ALA 74 13.483 4.250 10.529 586 1HB ALA 74 HB1 ALA 74 13.179 5.123 8.052 587 2HB ALA 74 HB3 ALA 74 12.536 6.552 8.859 588 3HB ALA 74 HB2 ALA 74 14.184 6.021 9.190 589 H ASP 75 HN ASP 75 10.559 6.218 10.007 590 HA ASP 75 HA ASP 75 11.008 7.910 12.290 591 1HB ASP 75 HB2 ASP 75 9.519 8.731 10.620 592 2HB ASP 75 HB1 ASP 75 8.557 7.255 10.642 593 H GLY 76 HN GLY 76 11.544 6.326 13.948 594 1HA GLY 76 HA2 GLY 76 9.954 4.162 14.776 595 2HA GLY 76 HA1 GLY 76 10.986 5.091 15.862 596 H ALA 77 HN ALA 77 9.478 7.604 15.332 597 HA ALA 77 HA ALA 77 7.730 7.647 17.493 598 1HB ALA 77 HB1 ALA 77 7.570 9.185 14.887 599 2HB ALA 77 HB3 ALA 77 6.568 9.550 16.291 600 3HB ALA 77 HB2 ALA 77 8.322 9.710 16.393 601 H MET 78 HN MET 78 6.092 8.088 14.425 602 HA MET 78 HA MET 78 4.213 5.862 15.142 603 1HB MET 78 HB2 MET 78 3.678 8.529 13.809 604 2HB MET 78 HB1 MET 78 2.496 7.223 13.902 605 1HG MET 78 HG2 MET 78 2.157 7.501 16.156 606 2HG MET 78 HG1 MET 78 3.819 8.016 16.449 607 1HE MET 78 HE2 MET 78 1.877 8.999 17.931 608 2HE MET 78 HE1 MET 78 1.860 10.760 17.899 609 3HE MET 78 HE3 MET 78 0.518 9.846 17.198 610 H SER 79 HN SER 79 6.706 6.058 13.340 611 HA SER 79 HA SER 79 7.324 5.360 11.172 612 1HB SER 79 HB2 SER 79 6.576 3.219 11.986 613 2HB SER 79 HB1 SER 79 4.886 3.666 11.780 614 HG SER 79 HG SER 79 6.430 3.915 9.519 615 H ALA 80 HN ALA 80 4.480 4.364 9.824 616 HA ALA 80 HA ALA 80 3.554 7.018 8.952 617 1HB ALA 80 HB3 ALA 80 5.480 6.203 7.409 618 2HB ALA 80 HB2 ALA 80 4.301 5.030 6.815 619 3HB ALA 80 HB1 ALA 80 3.986 6.756 6.655 620 H LEU 81 HN LEU 81 2.106 5.381 10.507 621 HA LEU 81 HA LEU 81 0.217 4.047 10.667 622 1HB LEU 81 HB2 LEU 81 -0.730 5.308 8.138 623 2HB LEU 81 HB1 LEU 81 -1.521 5.185 9.704 624 HG LEU 81 HG LEU 81 0.699 7.100 8.979 625 1HD1 LEU 81 HD13 LEU 81 -2.201 7.439 9.778 626 2HD1 LEU 81 HD12 LEU 81 -1.045 8.764 9.651 627 3HD1 LEU 81 HD11 LEU 81 -1.478 7.837 8.223 628 1HD2 LEU 81 HD22 LEU 81 -0.325 6.096 11.583 629 2HD2 LEU 81 HD21 LEU 81 1.243 6.802 11.194 630 3HD2 LEU 81 HD23 LEU 81 -0.155 7.843 11.445 631 HA PRO 82 HA PRO 82 0.188 0.405 8.262 632 1HB PRO 82 HB2 PRO 82 -2.303 0.474 6.819 633 2HB PRO 82 HB1 PRO 82 -1.899 -0.437 8.274 634 1HG PRO 82 HG2 PRO 82 -3.619 1.819 8.104 635 2HG PRO 82 HG1 PRO 82 -3.060 1.023 9.581 636 1HD PRO 82 HD2 PRO 82 -2.249 3.572 8.459 637 2HD PRO 82 HD1 PRO 82 -1.875 2.913 10.064 638 H VAL 83 HN VAL 83 0.913 -0.486 6.407 639 HA VAL 83 HA VAL 83 0.593 0.942 3.811 640 HB VAL 83 HB VAL 83 3.186 0.117 5.136 641 1HG1 VAL 83 HG13 VAL 83 2.476 0.169 2.210 642 2HG1 VAL 83 HG12 VAL 83 4.100 0.630 2.707 643 3HG1 VAL 83 HG11 VAL 83 3.492 -0.977 3.090 644 1HG2 VAL 83 HG23 VAL 83 1.951 2.607 4.547 645 2HG2 VAL 83 HG22 VAL 83 3.536 2.313 5.246 646 3HG2 VAL 83 HG21 VAL 83 3.361 2.445 3.500 647 H LEU 84 HN LEU 84 -0.427 -0.696 2.617 648 HA LEU 84 HA LEU 84 0.523 -3.418 3.198 649 1HB LEU 84 HB2 LEU 84 -1.962 -2.998 3.048 650 2HB LEU 84 HB1 LEU 84 -1.741 -2.589 1.361 651 HG LEU 84 HG LEU 84 -1.570 -4.777 0.711 652 1HD1 LEU 84 HD11 LEU 84 -0.282 -5.500 3.370 653 2HD1 LEU 84 HD13 LEU 84 -0.546 -6.607 2.029 654 3HD1 LEU 84 HD12 LEU 84 0.574 -5.270 1.841 655 1HD2 LEU 84 HD21 LEU 84 -3.628 -4.620 2.111 656 2HD2 LEU 84 HD23 LEU 84 -2.964 -6.253 2.044 657 3HD2 LEU 84 HD22 LEU 84 -2.707 -5.254 3.475 658 H MET 85 HN MET 85 2.358 -3.829 2.149 659 HA MET 85 HA MET 85 2.996 -2.488 -0.334 660 1HB MET 85 HB2 MET 85 4.728 -3.167 1.305 661 2HB MET 85 HB1 MET 85 4.335 -4.862 1.017 662 1HG MET 85 HG2 MET 85 5.622 -4.909 -0.823 663 2HG MET 85 HG1 MET 85 4.800 -3.498 -1.492 664 1HE MET 85 HE2 MET 85 5.614 -1.258 -1.608 665 2HE MET 85 HE1 MET 85 5.205 -1.089 0.097 666 3HE MET 85 HE3 MET 85 6.756 -0.491 -0.509 667 H VAL 86 HN VAL 86 1.858 -3.036 -2.103 668 HA VAL 86 HA VAL 86 1.036 -5.838 -2.523 669 HB VAL 86 HB VAL 86 -0.725 -4.364 -3.001 670 1HG1 VAL 86 HG13 VAL 86 1.296 -2.607 -4.346 671 2HG1 VAL 86 HG12 VAL 86 -0.438 -2.320 -4.371 672 3HG1 VAL 86 HG11 VAL 86 0.438 -2.289 -2.843 673 1HG2 VAL 86 HG23 VAL 86 -0.328 -5.944 -4.874 674 2HG2 VAL 86 HG22 VAL 86 -1.078 -4.437 -5.398 675 3HG2 VAL 86 HG21 VAL 86 0.629 -4.704 -5.686 676 H THR 87 HN THR 87 1.811 -7.103 -4.283 677 HA THR 87 HA THR 87 3.888 -5.863 -6.021 678 HB THR 87 HB THR 87 4.922 -6.867 -3.885 679 HG1 THR 87 HG1 THR 87 5.594 -7.200 -6.522 680 1HG2 THR 87 HG21 THR 87 3.306 -8.940 -4.294 681 2HG2 THR 87 HG23 THR 87 4.674 -9.510 -5.247 682 3HG2 THR 87 HG22 THR 87 4.883 -9.143 -3.535 683 H ALA 88 HN ALA 88 4.650 -7.528 -7.695 684 HA ALA 88 HA ALA 88 2.303 -9.172 -8.564 685 1HB ALA 88 HB3 ALA 88 3.149 -7.237 -10.029 686 2HB ALA 88 HB2 ALA 88 4.574 -8.232 -10.320 687 3HB ALA 88 HB1 ALA 88 2.983 -8.807 -10.814 688 H GLU 89 HN GLU 89 5.878 -9.153 -8.867 689 HA GLU 89 HA GLU 89 5.994 -11.991 -9.404 690 1HB GLU 89 HB2 GLU 89 8.079 -9.946 -8.614 691 2HB GLU 89 HB1 GLU 89 8.476 -11.645 -8.874 692 1HG GLU 89 HG2 GLU 89 6.842 -10.446 -11.015 693 2HG GLU 89 HG1 GLU 89 8.451 -9.742 -10.850 694 H ALA 90 HN ALA 90 4.559 -11.171 -6.913 695 HA ALA 90 HA ALA 90 5.928 -11.586 -4.536 696 1HB ALA 90 HB3 ALA 90 3.220 -11.715 -5.383 697 2HB ALA 90 HB2 ALA 90 3.539 -13.177 -4.448 698 3HB ALA 90 HB1 ALA 90 3.833 -11.592 -3.735 699 H LYS 91 HN LYS 91 7.464 -13.129 -4.198 700 HA LYS 91 HA LYS 91 6.702 -15.954 -4.611 701 1HB LYS 91 HB2 LYS 91 8.121 -14.723 -6.589 702 2HB LYS 91 HB1 LYS 91 9.431 -15.328 -5.578 703 1HG LYS 91 HG2 LYS 91 8.416 -17.588 -5.631 704 2HG LYS 91 HG1 LYS 91 7.134 -16.975 -6.677 705 1HD LYS 91 HD2 LYS 91 8.565 -17.737 -8.308 706 2HD LYS 91 HD1 LYS 91 9.251 -16.126 -8.093 707 1HE LYS 91 HE2 LYS 91 11.150 -17.470 -7.906 708 2HE LYS 91 HE1 LYS 91 10.676 -17.286 -6.217 709 1HZ LYS 91 HZ1 LYS 91 9.404 -19.478 -7.607 710 2HZ LYS 91 HZ3 LYS 91 11.082 -19.641 -7.425 711 3HZ LYS 91 HZ2 LYS 91 10.097 -19.427 -6.058 712 H LYS 92 HN LYS 92 6.798 -16.258 -2.375 713 HA LYS 92 HA LYS 92 7.779 -16.457 -0.242 714 1HB LYS 92 HB2 LYS 92 9.726 -17.512 -2.248 715 2HB LYS 92 HB1 LYS 92 10.270 -17.350 -0.577 716 1HG LYS 92 HG2 LYS 92 8.456 -18.745 0.213 717 2HG LYS 92 HG1 LYS 92 7.728 -18.785 -1.393 718 1HD LYS 92 HD2 LYS 92 9.032 -20.518 -1.992 719 2HD LYS 92 HD1 LYS 92 10.485 -19.620 -1.554 720 1HE LYS 92 HE2 LYS 92 10.266 -20.306 0.771 721 2HE LYS 92 HE1 LYS 92 8.728 -21.098 0.425 722 1HZ LYS 92 HZ2 LYS 92 10.917 -21.931 -1.262 723 2HZ LYS 92 HZ1 LYS 92 11.117 -22.321 0.380 724 3HZ LYS 92 HZ3 LYS 92 9.747 -22.865 -0.459 725 H GLU 93 HN GLU 93 10.906 -15.760 -1.602 726 HA GLU 93 HA GLU 93 11.732 -13.928 0.287 727 1HB GLU 93 HB2 GLU 93 12.722 -13.115 -2.320 728 2HB GLU 93 HB1 GLU 93 13.587 -13.872 -0.985 729 1HG GLU 93 HG2 GLU 93 12.677 -16.082 -1.681 730 2HG GLU 93 HG1 GLU 93 11.904 -15.303 -3.063 731 H ASN 94 HN ASN 94 10.860 -12.737 -2.967 732 HA ASN 94 HA ASN 94 10.567 -10.063 -2.438 733 1HB ASN 94 HB2 ASN 94 8.293 -10.896 -4.023 734 2HB ASN 94 HB1 ASN 94 9.739 -10.022 -4.526 735 1HD2 ASN 94 HD22 ASN 94 11.406 -12.928 -5.725 736 2HD2 ASN 94 HD21 ASN 94 11.603 -11.308 -5.260 737 H ILE 95 HN ILE 95 8.237 -12.567 -1.541 738 HA ILE 95 HA ILE 95 6.226 -10.646 -0.666 739 HB ILE 95 HB ILE 95 6.600 -13.621 -0.341 740 1HG1 ILE 95 HG12 ILE 95 4.302 -11.999 -1.461 741 2HG1 ILE 95 HG11 ILE 95 5.666 -12.535 -2.438 742 1HG2 ILE 95 HG21 ILE 95 4.741 -11.779 1.147 743 2HG2 ILE 95 HG23 ILE 95 4.247 -13.430 0.774 744 3HG2 ILE 95 HG22 ILE 95 5.678 -13.139 1.764 745 1HD1 ILE 95 HD13 ILE 95 4.467 -14.666 -0.801 746 2HD1 ILE 95 HD12 ILE 95 3.380 -14.001 -2.020 747 3HD1 ILE 95 HD11 ILE 95 4.936 -14.681 -2.501 748 H ILE 96 HN ILE 96 8.097 -13.028 1.248 749 HA ILE 96 HA ILE 96 7.652 -11.677 3.725 750 HB ILE 96 HB ILE 96 9.924 -13.523 2.918 751 1HG1 ILE 96 HG12 ILE 96 7.452 -14.216 4.513 752 2HG1 ILE 96 HG11 ILE 96 7.467 -14.320 2.751 753 1HG2 ILE 96 HG21 ILE 96 9.179 -12.163 5.442 754 2HG2 ILE 96 HG23 ILE 96 9.541 -13.883 5.588 755 3HG2 ILE 96 HG22 ILE 96 10.744 -12.783 4.917 756 1HD1 ILE 96 HD13 ILE 96 9.775 -15.574 4.126 757 2HD1 ILE 96 HD12 ILE 96 8.219 -16.366 4.373 758 3HD1 ILE 96 HD11 ILE 96 8.846 -16.143 2.740 759 H ALA 97 HN ALA 97 9.292 -10.571 1.086 760 HA ALA 97 HA ALA 97 11.609 -9.398 2.404 761 1HB ALA 97 HB3 ALA 97 11.590 -9.859 -0.035 762 2HB ALA 97 HB2 ALA 97 10.311 -8.663 -0.238 763 3HB ALA 97 HB1 ALA 97 11.913 -8.162 0.305 764 H ALA 98 HN ALA 98 8.347 -8.316 1.543 765 HA ALA 98 HA ALA 98 8.789 -5.576 2.395 766 1HB ALA 98 HB2 ALA 98 6.768 -6.790 1.019 767 2HB ALA 98 HB1 ALA 98 6.049 -6.677 2.624 768 3HB ALA 98 HB3 ALA 98 6.607 -5.220 1.805 769 H ALA 99 HN ALA 99 6.881 -8.228 3.817 770 HA ALA 99 HA ALA 99 6.495 -6.974 6.303 771 1HB ALA 99 HB1 ALA 99 5.976 -9.544 5.140 772 2HB ALA 99 HB3 ALA 99 6.676 -9.785 6.740 773 3HB ALA 99 HB2 ALA 99 5.219 -8.809 6.553 774 H GLN 100 HN GLN 100 9.317 -8.575 4.975 775 HA GLN 100 HA GLN 100 10.686 -9.417 7.291 776 1HB GLN 100 HB2 GLN 100 11.436 -8.657 4.606 777 2HB GLN 100 HB1 GLN 100 12.573 -7.950 5.747 778 1HG GLN 100 HG2 GLN 100 11.760 -10.867 5.809 779 2HG GLN 100 HG1 GLN 100 13.187 -10.275 4.959 780 1HE2 GLN 100 HE22 GLN 100 13.245 -10.588 9.018 781 2HE2 GLN 100 HE21 GLN 100 11.831 -10.924 8.143 782 H ALA 101 HN ALA 101 9.970 -6.278 6.011 783 HA ALA 101 HA ALA 101 11.415 -4.873 8.172 784 1HB ALA 101 HB3 ALA 101 9.606 -3.888 5.936 785 2HB ALA 101 HB2 ALA 101 10.440 -2.838 7.084 786 3HB ALA 101 HB1 ALA 101 11.367 -3.819 5.952 787 H GLY 102 HN GLY 102 8.210 -5.817 7.111 788 1HA GLY 102 HA2 GLY 102 6.434 -6.433 8.523 789 2HA GLY 102 HA1 GLY 102 7.272 -5.666 9.845 790 H ALA 103 HN ALA 103 5.602 -4.626 6.765 791 HA ALA 103 HA ALA 103 4.783 -2.197 8.295 792 1HB ALA 103 HB2 ALA 103 4.960 -2.956 5.467 793 2HB ALA 103 HB1 ALA 103 3.526 -2.040 5.850 794 3HB ALA 103 HB3 ALA 103 5.082 -1.373 6.213 795 H SER 104 HN SER 104 2.467 -3.099 6.059 796 HA SER 104 HA SER 104 0.593 -3.899 8.217 797 1HB SER 104 HB2 SER 104 -1.074 -3.045 6.938 798 2HB SER 104 HB1 SER 104 0.223 -2.258 6.054 799 HG SER 104 HG SER 104 -1.224 -3.493 4.722 800 H GLY 105 HN GLY 105 1.803 -4.971 5.108 801 1HA GLY 105 HA2 GLY 105 2.183 -7.661 5.591 802 2HA GLY 105 HA1 GLY 105 0.477 -7.555 5.202 803 OH TYR 106 OH TYR 106 1.337 -12.933 -2.694 804 H TYR 106 HN TYR 106 0.977 -8.822 3.267 805 HA TYR 106 HA TYR 106 1.903 -7.065 1.056 806 1HB TYR 106 HB2 TYR 106 3.711 -8.348 0.653 807 2HB TYR 106 HB1 TYR 106 3.263 -9.436 1.969 808 HD1 TYR 106 HD1 TYR 106 2.534 -8.667 -1.643 809 HD2 TYR 106 HD2 TYR 106 2.369 -11.575 1.518 810 HE1 TYR 106 HE1 TYR 106 1.850 -10.412 -3.255 811 HE2 TYR 106 HE2 TYR 106 1.685 -13.308 -0.107 812 HH TYR 106 HH TYR 106 0.474 -12.689 -3.040 813 H VAL 107 HN VAL 107 0.827 -7.432 -0.897 814 HA VAL 107 HA VAL 107 -1.168 -9.637 -0.965 815 HB VAL 107 HB VAL 107 -2.327 -7.592 -0.097 816 1HG1 VAL 107 HG12 VAL 107 -0.907 -5.949 -1.309 817 2HG1 VAL 107 HG11 VAL 107 -1.668 -6.446 -2.823 818 3HG1 VAL 107 HG13 VAL 107 -2.627 -5.671 -1.563 819 1HG2 VAL 107 HG21 VAL 107 -3.042 -8.748 -2.790 820 2HG2 VAL 107 HG23 VAL 107 -3.771 -9.071 -1.219 821 3HG2 VAL 107 HG22 VAL 107 -4.063 -7.532 -2.027 822 H VAL 108 HN VAL 108 -1.311 -10.525 -3.017 823 HA VAL 108 HA VAL 108 0.612 -9.520 -4.963 824 HB VAL 108 HB VAL 108 0.381 -11.918 -4.788 825 1HG1 VAL 108 HG13 VAL 108 -2.558 -11.380 -5.291 826 2HG1 VAL 108 HG12 VAL 108 -1.837 -12.987 -5.390 827 3HG1 VAL 108 HG11 VAL 108 -1.831 -12.111 -3.860 828 1HG2 VAL 108 HG23 VAL 108 0.545 -10.762 -7.116 829 2HG2 VAL 108 HG22 VAL 108 0.132 -12.476 -7.065 830 3HG2 VAL 108 HG21 VAL 108 -1.132 -11.272 -7.317 831 H LYS 109 HN LYS 109 -0.051 -8.994 -7.233 832 HA LYS 109 HA LYS 109 -2.814 -7.847 -7.389 833 1HB LYS 109 HB2 LYS 109 -1.743 -5.990 -8.744 834 2HB LYS 109 HB1 LYS 109 -1.308 -6.011 -7.047 835 1HG LYS 109 HG2 LYS 109 0.869 -6.433 -7.490 836 2HG LYS 109 HG1 LYS 109 0.466 -7.672 -8.676 837 1HD LYS 109 HD2 LYS 109 0.097 -4.749 -9.330 838 2HD LYS 109 HD1 LYS 109 1.671 -5.515 -9.499 839 1HE LYS 109 HE2 LYS 109 -0.861 -6.559 -10.801 840 2HE LYS 109 HE1 LYS 109 0.329 -5.547 -11.616 841 1HZ LYS 109 HZ2 LYS 109 1.454 -7.823 -10.259 842 2HZ LYS 109 HZ1 LYS 109 0.394 -8.237 -11.520 843 3HZ LYS 109 HZ3 LYS 109 1.735 -7.247 -11.831 844 HA PRO 110 HA PRO 110 -3.856 -6.597 -9.140 845 1HB PRO 110 HB2 PRO 110 -5.952 -7.734 -10.718 846 2HB PRO 110 HB1 PRO 110 -4.998 -6.290 -11.081 847 1HG PRO 110 HG2 PRO 110 -4.901 -8.778 -12.463 848 2HG PRO 110 HG1 PRO 110 -3.821 -7.396 -12.689 849 1HD PRO 110 HD2 PRO 110 -3.293 -9.943 -11.324 850 2HD PRO 110 HD1 PRO 110 -2.143 -8.699 -11.858 851 H PHE 111 HN PHE 111 -4.988 -6.858 -7.205 852 HA PHE 111 HA PHE 111 -6.020 -9.556 -6.570 853 1HB PHE 111 HB2 PHE 111 -6.718 -8.309 -4.369 854 2HB PHE 111 HB1 PHE 111 -5.027 -8.707 -4.630 855 HD1 PHE 111 HD2 PHE 111 -7.455 -5.924 -5.403 856 HD2 PHE 111 HD1 PHE 111 -3.476 -7.004 -4.228 857 HE1 PHE 111 HE2 PHE 111 -6.838 -3.543 -5.285 858 HE2 PHE 111 HE1 PHE 111 -2.887 -4.621 -4.064 859 HZ PHE 111 HZ PHE 111 -4.556 -2.879 -4.602 860 H THR 112 HN THR 112 -8.195 -9.843 -5.859 861 HA THR 112 HA THR 112 -10.112 -8.077 -7.275 862 HB THR 112 HB THR 112 -11.088 -10.424 -5.728 863 HG1 THR 112 HG1 THR 112 -9.429 -10.643 -8.013 864 1HG2 THR 112 HG22 THR 112 -12.327 -8.847 -7.393 865 2HG2 THR 112 HG21 THR 112 -11.536 -9.813 -8.638 866 3HG2 THR 112 HG23 THR 112 -12.629 -10.582 -7.488 867 H ALA 113 HN ALA 113 -11.772 -7.000 -5.992 868 HA ALA 113 HA ALA 113 -10.925 -5.948 -3.541 869 1HB ALA 113 HB3 ALA 113 -13.116 -5.525 -5.107 870 2HB ALA 113 HB2 ALA 113 -13.859 -6.371 -3.750 871 3HB ALA 113 HB1 ALA 113 -12.956 -4.882 -3.472 872 H ALA 114 HN ALA 114 -11.900 -9.126 -4.156 873 HA ALA 114 HA ALA 114 -12.792 -9.663 -1.408 874 1HB ALA 114 HB2 ALA 114 -13.468 -10.931 -3.619 875 2HB ALA 114 HB1 ALA 114 -11.954 -11.797 -3.358 876 3HB ALA 114 HB3 ALA 114 -13.224 -11.854 -2.136 877 H THR 115 HN THR 115 -9.903 -10.077 -3.408 878 HA THR 115 HA THR 115 -8.421 -11.512 -1.378 879 HB THR 115 HB THR 115 -6.564 -10.165 -2.980 880 HG1 THR 115 HG1 THR 115 -8.581 -11.148 -4.655 881 1HG2 THR 115 HG21 THR 115 -7.883 -12.867 -3.361 882 2HG2 THR 115 HG23 THR 115 -6.354 -12.371 -4.087 883 3HG2 THR 115 HG22 THR 115 -6.488 -12.532 -2.335 884 H LEU 116 HN LEU 116 -8.091 -8.077 -2.571 885 HA LEU 116 HA LEU 116 -6.392 -7.276 -0.498 886 1HB LEU 116 HB2 LEU 116 -7.982 -5.940 -2.452 887 2HB LEU 116 HB1 LEU 116 -8.382 -5.210 -0.904 888 HG LEU 116 HG LEU 116 -5.692 -5.317 -2.291 889 1HD1 LEU 116 HD13 LEU 116 -7.679 -3.407 -2.171 890 2HD1 LEU 116 HD12 LEU 116 -6.589 -2.893 -0.894 891 3HD1 LEU 116 HD11 LEU 116 -5.991 -3.080 -2.538 892 1HD2 LEU 116 HD23 LEU 116 -6.246 -5.250 0.617 893 2HD2 LEU 116 HD22 LEU 116 -4.760 -5.673 -0.238 894 3HD2 LEU 116 HD21 LEU 116 -5.173 -3.983 0.028 895 H GLU 117 HN GLU 117 -9.958 -7.593 -0.476 896 HA GLU 117 HA GLU 117 -10.396 -6.528 2.106 897 1HB GLU 117 HB2 GLU 117 -11.836 -8.488 0.370 898 2HB GLU 117 HB1 GLU 117 -12.389 -8.213 2.017 899 1HG GLU 117 HG2 GLU 117 -11.847 -5.890 0.181 900 2HG GLU 117 HG1 GLU 117 -13.399 -6.728 0.140 901 H GLU 118 HN GLU 118 -10.068 -9.941 1.141 902 HA GLU 118 HA GLU 118 -10.224 -11.241 3.558 903 1HB GLU 118 HB2 GLU 118 -9.675 -12.273 1.307 904 2HB GLU 118 HB1 GLU 118 -7.997 -11.802 1.584 905 1HG GLU 118 HG2 GLU 118 -8.786 -13.046 3.967 906 2HG GLU 118 HG1 GLU 118 -9.474 -14.047 2.687 907 H LYS 119 HN LYS 119 -7.465 -9.359 2.387 908 HA LYS 119 HA LYS 119 -5.947 -9.922 4.854 909 1HB LYS 119 HB2 LYS 119 -5.417 -8.527 2.262 910 2HB LYS 119 HB1 LYS 119 -4.436 -8.089 3.661 911 1HG LYS 119 HG2 LYS 119 -3.763 -10.406 3.982 912 2HG LYS 119 HG1 LYS 119 -4.852 -10.935 2.701 913 1HD LYS 119 HD2 LYS 119 -3.466 -9.229 1.233 914 2HD LYS 119 HD1 LYS 119 -2.244 -9.469 2.483 915 1HE LYS 119 HE2 LYS 119 -3.553 -11.621 0.797 916 2HE LYS 119 HE1 LYS 119 -1.873 -11.095 0.716 917 1HZ LYS 119 HZ2 LYS 119 -3.109 -12.213 3.167 918 2HZ LYS 119 HZ1 LYS 119 -2.273 -13.161 2.031 919 3HZ LYS 119 HZ3 LYS 119 -1.460 -11.933 2.872 920 H LEU 120 HN LEU 120 -7.913 -7.396 3.439 921 HA LEU 120 HA LEU 120 -7.144 -5.262 5.197 922 1HB LEU 120 HB2 LEU 120 -8.627 -5.265 3.008 923 2HB LEU 120 HB1 LEU 120 -9.947 -5.501 4.153 924 HG LEU 120 HG LEU 120 -8.715 -3.515 5.424 925 1HD1 LEU 120 HD13 LEU 120 -6.870 -3.398 3.777 926 2HD1 LEU 120 HD12 LEU 120 -8.040 -3.037 2.508 927 3HD1 LEU 120 HD11 LEU 120 -7.788 -1.893 3.827 928 1HD2 LEU 120 HD22 LEU 120 -10.576 -3.319 3.049 929 2HD2 LEU 120 HD21 LEU 120 -11.008 -3.337 4.759 930 3HD2 LEU 120 HD23 LEU 120 -10.191 -1.933 4.070 931 H ASN 121 HN ASN 121 -10.209 -7.121 5.271 932 HA ASN 121 HA ASN 121 -11.093 -6.339 7.789 933 1HB ASN 121 HB2 ASN 121 -11.602 -8.560 5.990 934 2HB ASN 121 HB1 ASN 121 -11.706 -9.072 7.675 935 1HD2 ASN 121 HD22 ASN 121 -14.995 -7.790 7.710 936 2HD2 ASN 121 HD21 ASN 121 -13.993 -9.145 7.912 937 H LYS 122 HN LYS 122 -8.654 -8.786 7.030 938 HA LYS 122 HA LYS 122 -8.398 -9.703 9.773 939 1HB LYS 122 HB2 LYS 122 -6.851 -10.077 7.230 940 2HB LYS 122 HB1 LYS 122 -6.089 -10.509 8.760 941 1HG LYS 122 HG2 LYS 122 -8.883 -11.454 8.300 942 2HG LYS 122 HG1 LYS 122 -7.609 -12.257 7.393 943 1HD LYS 122 HD2 LYS 122 -7.588 -11.878 10.404 944 2HD LYS 122 HD1 LYS 122 -8.122 -13.350 9.600 945 1HE LYS 122 HE2 LYS 122 -5.415 -12.451 10.193 946 2HE LYS 122 HE1 LYS 122 -5.979 -14.046 9.705 947 1HZ LYS 122 HZ1 LYS 122 -5.864 -11.944 7.673 948 2HZ LYS 122 HZ3 LYS 122 -4.403 -12.629 8.187 949 3HZ LYS 122 HZ2 LYS 122 -5.613 -13.615 7.519 950 H ILE 123 HN ILE 123 -7.054 -7.084 7.904 951 HA ILE 123 HA ILE 123 -4.889 -6.574 9.822 952 HB ILE 123 HB ILE 123 -5.887 -5.235 7.319 953 1HG1 ILE 123 HG12 ILE 123 -3.075 -6.020 8.102 954 2HG1 ILE 123 HG11 ILE 123 -4.207 -7.196 7.432 955 1HG2 ILE 123 HG22 ILE 123 -4.161 -4.070 9.495 956 2HG2 ILE 123 HG21 ILE 123 -3.908 -3.604 7.813 957 3HG2 ILE 123 HG23 ILE 123 -5.463 -3.303 8.587 958 1HD1 ILE 123 HD12 ILE 123 -4.014 -4.628 5.964 959 2HD1 ILE 123 HD11 ILE 123 -2.581 -5.654 5.898 960 3HD1 ILE 123 HD13 ILE 123 -4.136 -6.274 5.343 961 H PHE 124 HN PHE 124 -8.033 -5.122 8.972 962 HA PHE 124 HA PHE 124 -7.771 -2.964 10.858 963 1HB PHE 124 HB2 PHE 124 -10.044 -4.124 9.279 964 2HB PHE 124 HB1 PHE 124 -10.350 -2.907 10.520 965 HD1 PHE 124 HD1 PHE 124 -8.050 -3.591 7.658 966 HD2 PHE 124 HD2 PHE 124 -10.150 -0.637 9.954 967 HE1 PHE 124 HE1 PHE 124 -7.249 -1.829 6.114 968 HE2 PHE 124 HE2 PHE 124 -9.347 1.132 8.412 969 HZ PHE 124 HZ PHE 124 -7.900 0.532 6.489 970 H GLU 125 HN GLU 125 -8.625 -6.297 11.204 971 HA GLU 125 HA GLU 125 -10.268 -6.083 13.539 972 1HB GLU 125 HB2 GLU 125 -9.033 -8.184 12.054 973 2HB GLU 125 HB1 GLU 125 -8.542 -8.376 13.738 974 1HG GLU 125 HG2 GLU 125 -10.634 -9.579 13.371 975 2HG GLU 125 HG1 GLU 125 -10.937 -8.192 14.418 976 H LYS 126 HN LYS 126 -6.931 -5.542 12.949 977 HA LYS 126 HA LYS 126 -6.251 -5.630 15.834 978 1HB LYS 126 HB2 LYS 126 -4.781 -6.260 13.587 979 2HB LYS 126 HB1 LYS 126 -4.239 -4.616 13.919 980 1HG LYS 126 HG2 LYS 126 -2.763 -5.872 15.220 981 2HG LYS 126 HG1 LYS 126 -4.018 -5.479 16.394 982 1HD LYS 126 HD2 LYS 126 -5.104 -7.662 15.950 983 2HD LYS 126 HD1 LYS 126 -3.833 -8.051 14.792 984 1HE LYS 126 HE2 LYS 126 -3.039 -7.252 17.567 985 2HE LYS 126 HE1 LYS 126 -3.664 -8.879 17.304 986 1HZ LYS 126 HZ2 LYS 126 -1.884 -8.400 15.251 987 2HZ LYS 126 HZ1 LYS 126 -1.120 -7.823 16.653 988 3HZ LYS 126 HZ3 LYS 126 -1.659 -9.429 16.583 989 H LEU 127 HN LEU 127 -6.806 -3.431 13.161 990 HA LEU 127 HA LEU 127 -5.898 -1.047 14.545 991 1HB LEU 127 HB2 LEU 127 -6.329 -1.517 11.961 992 2HB LEU 127 HB1 LEU 127 -7.953 -0.952 12.345 993 HG LEU 127 HG LEU 127 -5.400 0.579 12.959 994 1HD1 LEU 127 HD13 LEU 127 -7.001 0.319 10.531 995 2HD1 LEU 127 HD12 LEU 127 -6.890 1.991 11.083 996 3HD1 LEU 127 HD11 LEU 127 -5.421 1.070 10.759 997 1HD2 LEU 127 HD22 LEU 127 -8.306 1.027 13.486 998 2HD2 LEU 127 HD21 LEU 127 -6.900 1.539 14.420 999 3HD2 LEU 127 HD23 LEU 127 -7.363 2.421 12.967 1000 H GLY 128 HN GLY 128 -8.847 -2.922 14.447 1001 1HA GLY 128 HA2 GLY 128 -10.888 -2.649 15.575 1002 2HA GLY 128 HA1 GLY 128 -9.938 -1.783 16.784 1003 H MET 129 HN MET 129 -11.595 -1.349 13.670 1004 HA MET 129 HA MET 129 -11.586 1.582 14.035 1005 1HB MET 129 HB2 MET 129 -13.104 1.238 11.848 1006 2HB MET 129 HB1 MET 129 -11.342 1.191 11.777 1007 1HG MET 129 HG2 MET 129 -12.469 -0.751 10.626 1008 2HG MET 129 HG1 MET 129 -11.335 -1.223 11.890 1009 1HE MET 129 HE1 MET 129 -12.726 -3.482 11.338 1010 2HE MET 129 HE3 MET 129 -14.401 -3.757 11.839 1011 3HE MET 129 HE2 MET 129 -14.049 -2.708 10.469 Start of MODEL 26 Raw file had 1011 H/Q atoms Start of MODEL 26 1 H ALA 2 HN ALA 2 -14.509 -0.356 7.028 2 HA ALA 2 HA ALA 2 -14.087 1.007 9.529 3 1HB ALA 2 HB1 ALA 2 -12.304 -0.261 8.369 4 2HB ALA 2 HB3 ALA 2 -12.327 0.918 7.058 5 3HB ALA 2 HB2 ALA 2 -11.810 1.404 8.672 6 H ASP 3 HN ASP 3 -12.602 3.228 9.088 7 HA ASP 3 HA ASP 3 -14.402 5.323 8.758 8 1HB ASP 3 HB2 ASP 3 -11.780 5.234 9.346 9 2HB ASP 3 HB1 ASP 3 -11.662 5.776 7.671 10 H LYS 4 HN LYS 4 -15.314 6.370 7.004 11 HA LYS 4 HA LYS 4 -14.892 5.120 4.379 12 1HB LYS 4 HB2 LYS 4 -17.192 5.722 5.393 13 2HB LYS 4 HB1 LYS 4 -16.807 7.375 4.914 14 1HG LYS 4 HG2 LYS 4 -16.512 6.664 2.592 15 2HG LYS 4 HG1 LYS 4 -16.796 4.984 3.046 16 1HD LYS 4 HD2 LYS 4 -18.872 7.003 3.784 17 2HD LYS 4 HD1 LYS 4 -18.766 6.501 2.097 18 1HE LYS 4 HE2 LYS 4 -18.977 4.146 2.763 19 2HE LYS 4 HE1 LYS 4 -19.039 4.621 4.461 20 1HZ LYS 4 HZ3 LYS 4 -21.020 5.982 3.883 21 2HZ LYS 4 HZ2 LYS 4 -21.004 5.275 2.338 22 3HZ LYS 4 HZ1 LYS 4 -21.255 4.311 3.714 23 H GLU 5 HN GLU 5 -12.645 6.434 5.119 24 HA GLU 5 HA GLU 5 -12.204 8.248 2.970 25 1HB GLU 5 HB2 GLU 5 -13.455 9.419 5.277 26 2HB GLU 5 HB1 GLU 5 -11.817 10.046 5.167 27 1HG GLU 5 HG2 GLU 5 -12.179 10.783 2.892 28 2HG GLU 5 HG1 GLU 5 -13.755 9.992 2.840 29 H LEU 6 HN LEU 6 -10.940 5.955 4.354 30 HA LEU 6 HA LEU 6 -8.699 6.970 5.851 31 1HB LEU 6 HB2 LEU 6 -9.561 4.641 6.032 32 2HB LEU 6 HB1 LEU 6 -8.999 4.334 4.396 33 HG LEU 6 HG LEU 6 -6.679 4.855 5.107 34 1HD1 LEU 6 HD12 LEU 6 -8.104 5.423 7.676 35 2HD1 LEU 6 HD11 LEU 6 -6.484 4.730 7.745 36 3HD1 LEU 6 HD13 LEU 6 -6.748 6.274 6.936 37 1HD2 LEU 6 HD21 LEU 6 -8.344 2.666 6.134 38 2HD2 LEU 6 HD23 LEU 6 -6.810 2.603 5.271 39 3HD2 LEU 6 HD22 LEU 6 -6.833 2.893 7.012 40 H LYS 7 HN LYS 7 -7.229 8.299 4.858 41 HA LYS 7 HA LYS 7 -6.920 8.578 2.075 42 1HB LYS 7 HB2 LYS 7 -5.257 9.330 4.439 43 2HB LYS 7 HB1 LYS 7 -4.585 9.524 2.821 44 1HG LYS 7 HG2 LYS 7 -6.519 10.888 2.160 45 2HG LYS 7 HG1 LYS 7 -7.228 10.673 3.761 46 1HD LYS 7 HD2 LYS 7 -6.046 12.431 4.513 47 2HD LYS 7 HD1 LYS 7 -4.548 11.589 4.114 48 1HE LYS 7 HE2 LYS 7 -4.716 12.420 1.785 49 2HE LYS 7 HE1 LYS 7 -6.187 13.291 2.212 50 1HZ LYS 7 HZ1 LYS 7 -3.553 13.700 3.517 51 2HZ LYS 7 HZ3 LYS 7 -4.178 14.685 2.286 52 3HZ LYS 7 HZ2 LYS 7 -4.969 14.598 3.787 53 H PHE 8 HN PHE 8 -6.113 7.209 0.606 54 HA PHE 8 HA PHE 8 -4.046 5.217 1.430 55 1HB PHE 8 HB2 PHE 8 -6.077 5.248 -0.834 56 2HB PHE 8 HB1 PHE 8 -4.780 4.083 -0.746 57 HD1 PHE 8 HD2 PHE 8 -7.942 5.210 0.726 58 HD2 PHE 8 HD1 PHE 8 -4.832 2.264 0.901 59 HE1 PHE 8 HE2 PHE 8 -9.357 3.801 2.199 60 HE2 PHE 8 HE1 PHE 8 -6.258 0.846 2.366 61 HZ PHE 8 HZ PHE 8 -8.514 1.615 3.012 62 H LEU 9 HN LEU 9 -2.188 5.016 0.075 63 HA LEU 9 HA LEU 9 -1.882 7.187 -1.982 64 1HB LEU 9 HB2 LEU 9 -0.400 7.583 -0.040 65 2HB LEU 9 HB1 LEU 9 0.280 5.971 -0.237 66 HG LEU 9 HG LEU 9 1.066 6.591 -2.519 67 1HD1 LEU 9 HD13 LEU 9 -0.352 9.124 -1.797 68 2HD1 LEU 9 HD12 LEU 9 1.069 9.210 -2.831 69 3HD1 LEU 9 HD11 LEU 9 -0.331 8.265 -3.336 70 1HD2 LEU 9 HD23 LEU 9 1.875 8.309 -0.182 71 2HD2 LEU 9 HD22 LEU 9 2.680 6.871 -0.818 72 3HD2 LEU 9 HD21 LEU 9 2.716 8.379 -1.731 73 H VAL 10 HN VAL 10 -2.046 6.187 -3.949 74 HA VAL 10 HA VAL 10 -1.007 3.420 -4.226 75 HB VAL 10 HB VAL 10 -2.071 3.753 -6.585 76 1HG1 VAL 10 HG13 VAL 10 -3.516 3.491 -3.954 77 2HG1 VAL 10 HG12 VAL 10 -4.392 3.385 -5.480 78 3HG1 VAL 10 HG11 VAL 10 -3.111 2.229 -5.117 79 1HG2 VAL 10 HG23 VAL 10 -2.327 6.224 -6.317 80 2HG2 VAL 10 HG22 VAL 10 -3.856 5.417 -6.652 81 3HG2 VAL 10 HG21 VAL 10 -3.472 5.931 -5.012 82 H VAL 11 HN VAL 11 1.166 3.461 -4.602 83 HA VAL 11 HA VAL 11 2.290 5.535 -6.352 84 HB VAL 11 HB VAL 11 3.727 3.401 -4.760 85 1HG1 VAL 11 HG13 VAL 11 4.579 5.487 -6.629 86 2HG1 VAL 11 HG12 VAL 11 5.363 5.628 -5.058 87 3HG1 VAL 11 HG11 VAL 11 5.488 4.130 -5.972 88 1HG2 VAL 11 HG22 VAL 11 3.082 6.283 -4.064 89 2HG2 VAL 11 HG21 VAL 11 2.437 4.850 -3.269 90 3HG2 VAL 11 HG23 VAL 11 4.149 5.236 -3.132 91 H ASP 12 HN ASP 12 1.619 4.778 -8.421 92 HA ASP 12 HA ASP 12 3.163 2.444 -9.391 93 1HB ASP 12 HB2 ASP 12 0.281 2.602 -10.201 94 2HB ASP 12 HB1 ASP 12 1.347 1.198 -10.132 95 H ASP 13 HN ASP 13 3.971 2.865 -11.408 96 HA ASP 13 HA ASP 13 3.564 5.442 -12.617 97 1HB ASP 13 HB2 ASP 13 4.574 3.397 -14.444 98 2HB ASP 13 HB1 ASP 13 5.368 4.854 -13.846 99 H PHE 14 HN PHE 14 1.971 2.364 -12.952 100 HA PHE 14 HA PHE 14 0.831 2.675 -15.539 101 1HB PHE 14 HB2 PHE 14 0.283 1.063 -13.132 102 2HB PHE 14 HB1 PHE 14 -1.135 1.376 -14.131 103 HD1 PHE 14 HD1 PHE 14 2.465 0.933 -15.064 104 HD2 PHE 14 HD2 PHE 14 -1.545 -0.575 -15.369 105 HE1 PHE 14 HE1 PHE 14 3.232 -0.777 -16.688 106 HE2 PHE 14 HE2 PHE 14 -0.779 -2.285 -16.993 107 HZ PHE 14 HZ PHE 14 1.610 -2.386 -17.653 108 H SER 15 HN SER 15 -0.757 4.018 -16.278 109 HA SER 15 HA SER 15 -1.900 5.986 -14.426 110 1HB SER 15 HB2 SER 15 -3.050 6.773 -16.587 111 2HB SER 15 HB1 SER 15 -1.292 6.875 -16.545 112 HG SER 15 HG SER 15 -2.958 5.009 -17.851 113 H THR 16 HN THR 16 -2.829 2.966 -15.821 114 HA THR 16 HA THR 16 -5.707 3.455 -15.306 115 HB THR 16 HB THR 16 -5.449 2.240 -17.297 116 HG1 THR 16 HG1 THR 16 -6.686 0.667 -16.708 117 1HG2 THR 16 HG21 THR 16 -3.102 1.111 -15.869 118 2HG2 THR 16 HG23 THR 16 -3.897 0.048 -17.031 119 3HG2 THR 16 HG22 THR 16 -3.263 1.607 -17.554 120 H MET 17 HN MET 17 -2.971 1.622 -14.030 121 HA MET 17 HA MET 17 -4.380 -0.100 -12.272 122 1HB MET 17 HB2 MET 17 -1.955 -0.299 -12.677 123 2HB MET 17 HB1 MET 17 -1.685 1.235 -11.847 124 1HG MET 17 HG2 MET 17 -2.345 0.348 -9.751 125 2HG MET 17 HG1 MET 17 -3.104 -1.061 -10.493 126 1HE MET 17 HE2 MET 17 -1.984 -1.790 -8.435 127 2HE MET 17 HE1 MET 17 -0.589 -2.853 -8.599 128 3HE MET 17 HE3 MET 17 -0.376 -1.190 -8.037 129 NH1 ARG 18 NH1 ARG 18 -1.650 8.782 -12.472 130 NH2 ARG 18 NH2 ARG 18 0.533 8.262 -12.737 131 H ARG 18 HN ARG 18 -3.618 3.332 -12.010 132 HA ARG 18 HA ARG 18 -4.291 3.527 -9.195 133 1HB ARG 18 HB2 ARG 18 -4.687 5.883 -10.974 134 2HB ARG 18 HB1 ARG 18 -3.868 5.777 -9.417 135 1HG ARG 18 HG2 ARG 18 -2.110 4.345 -10.708 136 2HG ARG 18 HG1 ARG 18 -2.818 5.075 -12.151 137 1HD ARG 18 HD2 ARG 18 -2.524 7.312 -10.757 138 2HD ARG 18 HD1 ARG 18 -1.283 6.369 -9.931 139 HE ARG 18 HE ARG 18 -0.486 5.938 -12.423 140 1HH1 ARG 18 HH11 ARG 18 -2.578 8.516 -12.212 141 2HH1 ARG 18 HH12 ARG 18 -1.467 9.712 -12.790 142 1HH2 ARG 18 HH21 ARG 18 1.278 7.596 -12.680 143 2HH2 ARG 18 HH22 ARG 18 0.717 9.192 -13.054 144 NH1 ARG 19 NH2 ARG 19 -13.072 6.478 -12.778 145 NH2 ARG 19 NH1 ARG 19 -12.872 7.331 -14.861 146 H ARG 19 HN ARG 19 -6.065 3.783 -12.230 147 HA ARG 19 HA ARG 19 -8.526 4.699 -10.976 148 1HB ARG 19 HB2 ARG 19 -8.061 5.160 -13.353 149 2HB ARG 19 HB1 ARG 19 -8.047 3.428 -13.689 150 1HG ARG 19 HG2 ARG 19 -10.307 3.301 -13.709 151 2HG ARG 19 HG1 ARG 19 -10.459 4.306 -12.267 152 1HD ARG 19 HD2 ARG 19 -10.128 6.328 -13.603 153 2HD ARG 19 HD1 ARG 19 -9.876 5.355 -15.052 154 HE ARG 19 HE ARG 19 -12.277 4.591 -14.753 155 1HH1 ARG 19 HH21 ARG 19 -12.865 5.761 -12.112 156 2HH1 ARG 19 HH22 ARG 19 -13.637 7.260 -12.513 157 1HH2 ARG 19 HH11 ARG 19 -12.513 7.268 -15.792 158 2HH2 ARG 19 HH12 ARG 19 -13.437 8.113 -14.596 159 H ILE 20 HN ILE 20 -6.922 1.697 -11.297 160 HA ILE 20 HA ILE 20 -9.276 -0.010 -11.237 161 HB ILE 20 HB ILE 20 -6.323 -0.413 -10.821 162 1HG1 ILE 20 HG12 ILE 20 -7.212 -0.333 -13.125 163 2HG1 ILE 20 HG11 ILE 20 -6.547 -1.915 -12.740 164 1HG2 ILE 20 HG22 ILE 20 -8.537 -2.283 -10.045 165 2HG2 ILE 20 HG21 ILE 20 -6.995 -2.922 -10.615 166 3HG2 ILE 20 HG23 ILE 20 -7.048 -1.896 -9.182 167 1HD1 ILE 20 HD13 ILE 20 -9.202 -2.203 -12.008 168 2HD1 ILE 20 HD12 ILE 20 -9.302 -1.156 -13.419 169 3HD1 ILE 20 HD11 ILE 20 -8.505 -2.722 -13.539 170 H VAL 21 HN VAL 21 -6.834 0.926 -8.806 171 HA VAL 21 HA VAL 21 -8.235 -0.380 -6.654 172 HB VAL 21 HB VAL 21 -6.615 1.606 -5.519 173 1HG1 VAL 21 HG12 VAL 21 -6.101 -1.284 -6.283 174 2HG1 VAL 21 HG11 VAL 21 -5.066 -0.357 -5.197 175 3HG1 VAL 21 HG13 VAL 21 -6.739 -0.691 -4.749 176 1HG2 VAL 21 HG23 VAL 21 -5.812 2.085 -7.844 177 2HG2 VAL 21 HG22 VAL 21 -4.537 1.456 -6.801 178 3HG2 VAL 21 HG21 VAL 21 -5.310 0.399 -7.980 179 NH1 ARG 22 NH1 ARG 22 -12.823 6.872 -8.689 180 NH2 ARG 22 NH2 ARG 22 -13.028 8.267 -6.922 181 H ARG 22 HN ARG 22 -8.310 2.876 -7.989 182 HA ARG 22 HA ARG 22 -9.547 4.340 -5.956 183 1HB ARG 22 HB2 ARG 22 -9.514 4.410 -8.892 184 2HB ARG 22 HB1 ARG 22 -10.990 5.076 -8.207 185 1HG ARG 22 HG2 ARG 22 -8.325 5.914 -7.079 186 2HG ARG 22 HG1 ARG 22 -8.914 6.642 -8.572 187 1HD ARG 22 HD2 ARG 22 -10.755 6.467 -6.207 188 2HD ARG 22 HD1 ARG 22 -9.536 7.741 -6.265 189 HE ARG 22 HE ARG 22 -10.581 8.489 -8.406 190 1HH1 ARG 22 HH11 ARG 22 -12.249 6.407 -9.364 191 2HH1 ARG 22 HH12 ARG 22 -13.813 6.733 -8.695 192 1HH2 ARG 22 HH21 ARG 22 -12.610 8.870 -6.241 193 2HH2 ARG 22 HH22 ARG 22 -14.018 8.128 -6.926 194 H ASN 23 HN ASN 23 -11.213 2.347 -8.407 195 HA ASN 23 HA ASN 23 -13.814 2.609 -7.227 196 1HB ASN 23 HB2 ASN 23 -12.671 1.613 -9.549 197 2HB ASN 23 HB1 ASN 23 -13.288 0.191 -8.751 198 1HD2 ASN 23 HD22 ASN 23 -16.052 3.125 -9.617 199 2HD2 ASN 23 HD21 ASN 23 -14.490 3.578 -9.126 200 H LEU 24 HN LEU 24 -11.586 -0.138 -7.440 201 HA LEU 24 HA LEU 24 -12.816 -2.043 -5.909 202 1HB LEU 24 HB2 LEU 24 -10.462 -2.026 -6.966 203 2HB LEU 24 HB1 LEU 24 -9.931 -1.329 -5.449 204 HG LEU 24 HG LEU 24 -11.594 -3.684 -4.987 205 1HD1 LEU 24 HD12 LEU 24 -9.171 -3.975 -6.773 206 2HD1 LEU 24 HD11 LEU 24 -9.896 -5.315 -5.887 207 3HD1 LEU 24 HD13 LEU 24 -10.826 -4.472 -7.126 208 1HD2 LEU 24 HD21 LEU 24 -8.821 -2.770 -4.230 209 2HD2 LEU 24 HD23 LEU 24 -10.202 -3.120 -3.194 210 3HD2 LEU 24 HD22 LEU 24 -9.303 -4.433 -3.946 211 H LEU 25 HN LEU 25 -10.566 0.347 -4.447 212 HA LEU 25 HA LEU 25 -11.151 -0.191 -1.746 213 1HB LEU 25 HB2 LEU 25 -10.325 2.311 -3.210 214 2HB LEU 25 HB1 LEU 25 -10.665 2.373 -1.485 215 HG LEU 25 HG LEU 25 -8.701 0.445 -2.762 216 1HD1 LEU 25 HD13 LEU 25 -8.466 3.258 -2.113 217 2HD1 LEU 25 HD12 LEU 25 -7.361 2.302 -1.124 218 3HD1 LEU 25 HD11 LEU 25 -7.289 2.194 -2.884 219 1HD2 LEU 25 HD21 LEU 25 -9.818 0.762 -0.071 220 2HD2 LEU 25 HD23 LEU 25 -8.872 -0.564 -0.739 221 3HD2 LEU 25 HD22 LEU 25 -8.061 0.854 -0.078 222 H LYS 26 HN LYS 26 -12.738 2.191 -3.896 223 HA LYS 26 HA LYS 26 -14.653 3.174 -2.133 224 1HB LYS 26 HB2 LYS 26 -14.213 3.573 -4.739 225 2HB LYS 26 HB1 LYS 26 -15.573 2.460 -4.882 226 1HG LYS 26 HG2 LYS 26 -16.709 3.989 -3.102 227 2HG LYS 26 HG1 LYS 26 -15.490 5.172 -3.580 228 1HD LYS 26 HD2 LYS 26 -16.220 4.730 -5.994 229 2HD LYS 26 HD1 LYS 26 -17.612 3.889 -5.309 230 1HE LYS 26 HE2 LYS 26 -17.557 6.249 -3.867 231 2HE LYS 26 HE1 LYS 26 -17.075 6.768 -5.483 232 1HZ LYS 26 HZ3 LYS 26 -19.331 4.919 -5.237 233 2HZ LYS 26 HZ2 LYS 26 -19.586 6.546 -4.819 234 3HZ LYS 26 HZ1 LYS 26 -19.055 6.139 -6.380 235 H GLU 27 HN GLU 27 -14.547 0.068 -3.782 236 HA GLU 27 HA GLU 27 -17.145 -0.858 -3.451 237 1HB GLU 27 HB2 GLU 27 -15.082 -2.064 -4.451 238 2HB GLU 27 HB1 GLU 27 -14.787 -2.615 -2.801 239 1HG GLU 27 HG2 GLU 27 -16.171 -4.328 -3.395 240 2HG GLU 27 HG1 GLU 27 -17.444 -3.160 -3.036 241 H LEU 28 HN LEU 28 -14.500 -1.082 -1.061 242 HA LEU 28 HA LEU 28 -16.232 -2.143 0.994 243 1HB LEU 28 HB2 LEU 28 -13.709 -2.376 0.975 244 2HB LEU 28 HB1 LEU 28 -13.613 -0.665 1.386 245 HG LEU 28 HG LEU 28 -14.972 -1.096 3.426 246 1HD1 LEU 28 HD12 LEU 28 -15.092 -3.795 2.200 247 2HD1 LEU 28 HD11 LEU 28 -14.820 -3.760 3.941 248 3HD1 LEU 28 HD13 LEU 28 -16.247 -2.984 3.255 249 1HD2 LEU 28 HD22 LEU 28 -12.311 -2.292 2.896 250 2HD2 LEU 28 HD21 LEU 28 -12.798 -1.124 4.127 251 3HD2 LEU 28 HD23 LEU 28 -13.113 -2.842 4.366 252 H GLY 29 HN GLY 29 -14.885 1.089 0.378 253 1HA GLY 29 HA2 GLY 29 -16.834 2.802 0.724 254 2HA GLY 29 HA1 GLY 29 -16.724 2.208 2.374 255 H PHE 30 HN PHE 30 -14.878 3.830 -0.162 256 HA PHE 30 HA PHE 30 -13.482 5.380 1.934 257 1HB PHE 30 HB2 PHE 30 -12.001 3.727 -0.138 258 2HB PHE 30 HB1 PHE 30 -11.253 4.962 0.865 259 HD1 PHE 30 HD2 PHE 30 -11.782 4.704 3.486 260 HD2 PHE 30 HD1 PHE 30 -11.907 1.528 0.602 261 HE1 PHE 30 HE2 PHE 30 -11.453 3.038 5.297 262 HE2 PHE 30 HE1 PHE 30 -11.575 -0.129 2.407 263 HZ PHE 30 HZ PHE 30 -11.352 0.623 4.758 264 H ASN 31 HN ASN 31 -12.691 7.410 1.092 265 HA ASN 31 HA ASN 31 -13.029 7.908 -1.802 266 1HB ASN 31 HB2 ASN 31 -15.269 8.324 -0.755 267 2HB ASN 31 HB1 ASN 31 -14.522 9.566 0.251 268 1HD2 ASN 31 HD22 ASN 31 -14.384 10.338 -3.789 269 2HD2 ASN 31 HD21 ASN 31 -13.980 8.789 -3.226 270 H ASN 32 HN ASN 32 -10.577 7.994 -0.976 271 HA ASN 32 HA ASN 32 -9.734 10.721 -1.168 272 1HB ASN 32 HB2 ASN 32 -10.521 10.037 1.430 273 2HB ASN 32 HB1 ASN 32 -8.768 9.885 1.450 274 1HD2 ASN 32 HD22 ASN 32 -8.514 13.372 1.849 275 2HD2 ASN 32 HD21 ASN 32 -8.056 11.828 2.386 276 H VAL 33 HN VAL 33 -8.110 10.073 -2.579 277 HA VAL 33 HA VAL 33 -5.901 8.509 -1.392 278 HB VAL 33 HB VAL 33 -7.052 6.692 -2.346 279 1HG1 VAL 33 HG13 VAL 33 -7.869 8.734 -4.356 280 2HG1 VAL 33 HG12 VAL 33 -7.783 7.052 -4.884 281 3HG1 VAL 33 HG11 VAL 33 -8.837 7.503 -3.543 282 1HG2 VAL 33 HG23 VAL 33 -4.639 7.129 -3.218 283 2HG2 VAL 33 HG22 VAL 33 -5.621 5.933 -4.056 284 3HG2 VAL 33 HG21 VAL 33 -5.429 7.548 -4.735 285 H GLU 34 HN GLU 34 -3.875 8.818 -2.519 286 HA GLU 34 HA GLU 34 -3.945 10.967 -4.610 287 1HB GLU 34 HB2 GLU 34 -2.045 10.558 -2.302 288 2HB GLU 34 HB1 GLU 34 -1.612 11.534 -3.700 289 1HG GLU 34 HG2 GLU 34 -4.125 11.988 -2.074 290 2HG GLU 34 HG1 GLU 34 -2.608 12.829 -1.759 291 H GLU 35 HN GLU 35 -1.348 10.811 -5.483 292 HA GLU 35 HA GLU 35 -0.803 7.950 -6.035 293 1HB GLU 35 HB2 GLU 35 -0.960 9.873 -8.349 294 2HB GLU 35 HB1 GLU 35 -0.958 8.113 -8.382 295 1HG GLU 35 HG2 GLU 35 -3.202 8.755 -8.840 296 2HG GLU 35 HG1 GLU 35 -3.206 8.231 -7.162 297 H ALA 36 HN ALA 36 1.268 7.573 -6.948 298 HA ALA 36 HA ALA 36 3.130 9.870 -7.126 299 1HB ALA 36 HB3 ALA 36 3.005 8.501 -4.763 300 2HB ALA 36 HB2 ALA 36 4.222 7.571 -5.635 301 3HB ALA 36 HB1 ALA 36 4.458 9.296 -5.368 302 H GLU 37 HN GLU 37 5.459 8.303 -7.395 303 HA GLU 37 HA GLU 37 4.777 6.423 -9.616 304 1HB GLU 37 HB2 GLU 37 6.938 8.532 -9.813 305 2HB GLU 37 HB1 GLU 37 6.393 7.439 -11.086 306 1HG GLU 37 HG2 GLU 37 4.111 8.487 -10.911 307 2HG GLU 37 HG1 GLU 37 4.797 9.672 -9.800 308 H ASP 38 HN ASP 38 6.583 7.013 -6.806 309 HA ASP 38 HA ASP 38 7.871 4.461 -6.914 310 1HB ASP 38 HB2 ASP 38 9.238 6.066 -8.587 311 2HB ASP 38 HB1 ASP 38 9.992 6.556 -7.073 312 H GLY 39 HN GLY 39 10.096 4.897 -5.306 313 1HA GLY 39 HA2 GLY 39 8.813 5.589 -2.780 314 2HA GLY 39 HA1 GLY 39 10.466 5.010 -2.971 315 H VAL 40 HN VAL 40 10.962 7.138 -5.062 316 HA VAL 40 HA VAL 40 11.809 9.216 -3.199 317 HB VAL 40 HB VAL 40 13.033 8.505 -5.351 318 1HG1 VAL 40 HG12 VAL 40 10.855 8.700 -6.703 319 2HG1 VAL 40 HG11 VAL 40 11.114 10.443 -6.652 320 3HG1 VAL 40 HG13 VAL 40 12.302 9.396 -7.428 321 1HG2 VAL 40 HG22 VAL 40 12.405 11.440 -4.895 322 2HG2 VAL 40 HG21 VAL 40 13.641 10.508 -4.050 323 3HG2 VAL 40 HG23 VAL 40 13.799 10.820 -5.779 324 H ASP 41 HN ASP 41 9.362 8.866 -5.735 325 HA ASP 41 HA ASP 41 8.296 11.534 -5.467 326 1HB ASP 41 HB2 ASP 41 7.977 9.735 -7.358 327 2HB ASP 41 HB1 ASP 41 6.661 9.168 -6.337 328 H ALA 42 HN ALA 42 7.449 8.345 -4.126 329 HA ALA 42 HA ALA 42 5.193 9.256 -2.593 330 1HB ALA 42 HB1 ALA 42 5.830 6.843 -3.121 331 2HB ALA 42 HB3 ALA 42 7.056 6.982 -1.865 332 3HB ALA 42 HB2 ALA 42 5.349 7.149 -1.453 333 H LEU 43 HN LEU 43 8.599 8.624 -1.661 334 HA LEU 43 HA LEU 43 8.581 9.403 0.993 335 1HB LEU 43 HB2 LEU 43 10.638 8.682 -0.103 336 2HB LEU 43 HB1 LEU 43 10.646 10.134 -1.107 337 HG LEU 43 HG LEU 43 10.442 10.724 1.758 338 1HD1 LEU 43 HD13 LEU 43 12.836 9.223 0.666 339 2HD1 LEU 43 HD12 LEU 43 12.899 10.207 2.128 340 3HD1 LEU 43 HD11 LEU 43 11.846 8.795 2.061 341 1HD2 LEU 43 HD23 LEU 43 10.908 12.373 -0.047 342 2HD2 LEU 43 HD22 LEU 43 12.194 12.335 1.160 343 3HD2 LEU 43 HD21 LEU 43 12.422 11.536 -0.395 344 H ASN 44 HN ASN 44 8.440 11.509 -1.852 345 HA ASN 44 HA ASN 44 8.609 13.973 -0.333 346 1HB ASN 44 HB2 ASN 44 7.836 13.235 -3.139 347 2HB ASN 44 HB1 ASN 44 7.448 14.847 -2.537 348 1HD2 ASN 44 HD22 ASN 44 11.069 14.397 -3.930 349 2HD2 ASN 44 HD21 ASN 44 9.660 13.609 -4.455 350 H LYS 45 HN LYS 45 5.987 11.871 -1.406 351 HA LYS 45 HA LYS 45 3.926 13.731 -0.417 352 1HB LYS 45 HB2 LYS 45 3.697 10.896 -1.480 353 2HB LYS 45 HB1 LYS 45 2.342 11.969 -1.132 354 1HG LYS 45 HG2 LYS 45 4.505 12.952 -2.956 355 2HG LYS 45 HG1 LYS 45 3.331 11.798 -3.587 356 1HD LYS 45 HD2 LYS 45 2.291 14.132 -2.035 357 2HD LYS 45 HD1 LYS 45 2.871 14.423 -3.674 358 1HE LYS 45 HE2 LYS 45 1.265 13.012 -4.632 359 2HE LYS 45 HE1 LYS 45 0.995 12.138 -3.124 360 1HZ LYS 45 HZ3 LYS 45 0.039 14.202 -2.207 361 2HZ LYS 45 HZ2 LYS 45 0.182 14.927 -3.736 362 3HZ LYS 45 HZ1 LYS 45 -0.844 13.590 -3.519 363 H LEU 46 HN LEU 46 4.971 10.403 0.373 364 HA LEU 46 HA LEU 46 3.474 9.806 2.582 365 1HB LEU 46 HB2 LEU 46 6.118 9.091 1.626 366 2HB LEU 46 HB1 LEU 46 6.124 9.193 3.383 367 HG LEU 46 HG LEU 46 5.568 6.918 2.655 368 1HD1 LEU 46 HD13 LEU 46 4.201 8.381 4.531 369 2HD1 LEU 46 HD12 LEU 46 2.887 7.748 3.541 370 3HD1 LEU 46 HD11 LEU 46 4.034 6.642 4.297 371 1HD2 LEU 46 HD21 LEU 46 4.030 8.327 0.700 372 2HD2 LEU 46 HD23 LEU 46 4.335 6.595 0.813 373 3HD2 LEU 46 HD22 LEU 46 2.938 7.298 1.628 374 H GLN 47 HN GLN 47 5.799 12.377 2.300 375 HA GLN 47 HA GLN 47 6.534 12.848 4.971 376 1HB GLN 47 HB2 GLN 47 7.359 14.158 3.000 377 2HB GLN 47 HB1 GLN 47 5.794 14.968 2.930 378 1HG GLN 47 HG2 GLN 47 6.534 16.449 4.452 379 2HG GLN 47 HG1 GLN 47 6.659 15.135 5.622 380 1HE2 GLN 47 HE22 GLN 47 10.067 16.008 3.473 381 2HE2 GLN 47 HE21 GLN 47 8.560 16.110 2.699 382 H ALA 48 HN ALA 48 3.606 13.822 3.237 383 HA ALA 48 HA ALA 48 2.326 15.361 5.165 384 1HB ALA 48 HB1 ALA 48 1.557 14.045 2.808 385 2HB ALA 48 HB3 ALA 48 0.473 13.417 4.049 386 3HB ALA 48 HB2 ALA 48 0.569 15.154 3.758 387 H GLY 49 HN GLY 49 2.055 11.804 4.832 388 1HA GLY 49 HA2 GLY 49 2.120 10.226 6.627 389 2HA GLY 49 HA1 GLY 49 2.064 11.564 7.775 390 H GLY 50 HN GLY 50 -0.249 12.659 6.044 391 1HA GLY 50 HA2 GLY 50 -2.378 11.713 7.680 392 2HA GLY 50 HA1 GLY 50 -2.592 12.572 6.150 393 OH TYR 51 OH TYR 51 -0.562 11.868 -0.561 394 H TYR 51 HN TYR 51 -0.677 10.107 5.292 395 HA TYR 51 HA TYR 51 -2.848 8.626 4.076 396 1HB TYR 51 HB2 TYR 51 0.127 8.103 4.220 397 2HB TYR 51 HB1 TYR 51 -1.003 7.125 3.293 398 HD1 TYR 51 HD1 TYR 51 -2.676 8.553 1.757 399 HD2 TYR 51 HD2 TYR 51 1.196 9.825 3.109 400 HE1 TYR 51 HE1 TYR 51 -2.568 10.209 -0.081 401 HE2 TYR 51 HE2 TYR 51 1.312 11.475 1.266 402 HH TYR 51 HH TYR 51 0.295 12.300 -0.524 403 H GLY 52 HN GLY 52 -3.996 7.890 6.009 404 1HA GLY 52 HA2 GLY 52 -2.808 6.266 8.019 405 2HA GLY 52 HA1 GLY 52 -4.491 6.180 7.544 406 H PHE 53 HN PHE 53 -2.931 5.794 4.728 407 HA PHE 53 HA PHE 53 -2.188 2.959 5.013 408 1HB PHE 53 HB2 PHE 53 -4.815 3.698 4.408 409 2HB PHE 53 HB1 PHE 53 -4.086 3.258 2.876 410 HD1 PHE 53 HD2 PHE 53 -4.776 2.087 6.313 411 HD2 PHE 53 HD1 PHE 53 -3.543 0.980 2.359 412 HE1 PHE 53 HE2 PHE 53 -5.082 -0.283 6.890 413 HE2 PHE 53 HE1 PHE 53 -3.847 -1.395 2.927 414 HZ PHE 53 HZ PHE 53 -4.597 -2.046 5.207 415 H VAL 54 HN VAL 54 -0.885 2.285 3.293 416 HA VAL 54 HA VAL 54 -0.602 4.088 0.947 417 HB VAL 54 HB VAL 54 1.667 3.164 2.720 418 1HG1 VAL 54 HG12 VAL 54 1.588 3.923 -0.085 419 2HG1 VAL 54 HG11 VAL 54 2.609 5.015 0.847 420 3HG1 VAL 54 HG13 VAL 54 2.937 3.285 0.851 421 1HG2 VAL 54 HG21 VAL 54 0.600 5.918 2.075 422 2HG2 VAL 54 HG23 VAL 54 0.484 5.093 3.628 423 3HG2 VAL 54 HG22 VAL 54 2.057 5.595 3.011 424 H ILE 55 HN ILE 55 -0.919 2.773 -0.764 425 HA ILE 55 HA ILE 55 -0.137 -0.105 -0.553 426 HB ILE 55 HB ILE 55 -1.595 0.541 -2.958 427 1HG1 ILE 55 HG12 ILE 55 -2.835 1.464 -0.342 428 2HG1 ILE 55 HG11 ILE 55 -2.423 2.493 -1.715 429 1HG2 ILE 55 HG21 ILE 55 -1.435 -1.654 -1.727 430 2HG2 ILE 55 HG23 ILE 55 -2.474 -0.970 -0.479 431 3HG2 ILE 55 HG22 ILE 55 -3.085 -1.177 -2.120 432 1HD1 ILE 55 HD12 ILE 55 -3.969 0.922 -3.084 433 2HD1 ILE 55 HD11 ILE 55 -4.587 0.404 -1.516 434 3HD1 ILE 55 HD13 ILE 55 -4.727 2.093 -2.006 435 H SER 56 HN SER 56 1.796 -0.570 -1.483 436 HA SER 56 HA SER 56 2.649 1.015 -3.880 437 1HB SER 56 HB2 SER 56 4.938 0.760 -3.162 438 2HB SER 56 HB1 SER 56 4.018 1.373 -1.790 439 HG SER 56 HG SER 56 3.767 -1.112 -1.476 440 H ASP 57 HN ASP 57 4.184 -0.260 -5.306 441 HA ASP 57 HA ASP 57 3.097 -3.001 -5.642 442 1HB ASP 57 HB2 ASP 57 4.711 -1.176 -7.442 443 2HB ASP 57 HB1 ASP 57 4.348 -2.851 -7.856 444 CH2 TRP 58 CH2 TRP 58 10.116 -6.115 -1.291 445 H TRP 58 HN TRP 58 6.164 -2.489 -7.050 446 HA TRP 58 HA TRP 58 7.813 -3.328 -4.826 447 1HB TRP 58 HB2 TRP 58 6.467 -5.426 -5.388 448 2HB TRP 58 HB1 TRP 58 7.324 -5.452 -6.927 449 HD1 TRP 58 HD1 TRP 58 9.495 -6.765 -6.925 450 HE1 TRP 58 HE1 TRP 58 11.171 -7.563 -5.134 451 HE3 TRP 58 HE3 TRP 58 7.458 -4.587 -2.784 452 HZ2 TRP 58 HZ2 TRP 58 11.588 -7.309 -2.311 453 HZ3 TRP 58 HZ3 TRP 58 8.510 -4.882 -0.559 454 HH2 TRP 58 HH2 TRP 58 10.567 -6.242 -0.319 455 H ASN 59 HN ASN 59 8.002 -4.414 -8.226 456 HA ASN 59 HA ASN 59 10.675 -3.294 -8.464 457 1HB ASN 59 HB2 ASN 59 8.839 -4.896 -10.149 458 2HB ASN 59 HB1 ASN 59 9.939 -3.843 -11.038 459 1HD2 ASN 59 HD22 ASN 59 11.930 -6.324 -8.457 460 2HD2 ASN 59 HD21 ASN 59 10.676 -5.337 -7.882 461 H MET 60 HN MET 60 10.782 -1.088 -8.431 462 HA MET 60 HA MET 60 9.131 0.403 -10.427 463 1HB MET 60 HB2 MET 60 9.827 1.976 -8.079 464 2HB MET 60 HB1 MET 60 8.247 1.724 -8.816 465 1HG MET 60 HG2 MET 60 8.209 -0.549 -7.684 466 2HG MET 60 HG1 MET 60 9.631 -0.025 -6.778 467 1HE MET 60 HE3 MET 60 8.310 -0.541 -4.631 468 2HE MET 60 HE2 MET 60 9.413 0.831 -4.544 469 3HE MET 60 HE1 MET 60 7.831 0.932 -3.774 470 HA PRO 61 HA PRO 61 12.784 2.378 -11.820 471 1HB PRO 61 HB2 PRO 61 12.252 5.124 -11.123 472 2HB PRO 61 HB1 PRO 61 12.108 4.343 -12.703 473 1HG PRO 61 HG2 PRO 61 9.979 5.202 -10.994 474 2HG PRO 61 HG1 PRO 61 9.842 4.344 -12.534 475 1HD PRO 61 HD2 PRO 61 9.385 3.342 -9.878 476 2HD PRO 61 HD1 PRO 61 9.147 2.491 -11.414 477 H ASN 62 HN ASN 62 12.103 2.465 -8.529 478 HA ASN 62 HA ASN 62 14.874 3.452 -7.938 479 1HB ASN 62 HB2 ASN 62 12.432 3.808 -6.178 480 2HB ASN 62 HB1 ASN 62 14.065 4.356 -5.815 481 1HD2 ASN 62 HD22 ASN 62 13.541 6.505 -9.001 482 2HD2 ASN 62 HD21 ASN 62 14.318 5.004 -8.860 483 H MET 63 HN MET 63 15.519 1.196 -8.070 484 HA MET 63 HA MET 63 15.867 -0.957 -7.195 485 1HB MET 63 HB2 MET 63 15.395 0.511 -4.581 486 2HB MET 63 HB1 MET 63 16.301 -0.986 -4.798 487 1HG MET 63 HG2 MET 63 17.018 1.681 -6.050 488 2HG MET 63 HG1 MET 63 17.802 0.985 -4.632 489 1HE MET 63 HE2 MET 63 19.083 1.960 -7.404 490 2HE MET 63 HE1 MET 63 19.353 0.718 -8.624 491 3HE MET 63 HE3 MET 63 17.724 1.346 -8.342 492 H ASP 64 HN ASP 64 13.759 -0.131 -4.486 493 HA ASP 64 HA ASP 64 11.399 -1.356 -5.648 494 1HB ASP 64 HB2 ASP 64 13.344 -3.014 -4.198 495 2HB ASP 64 HB1 ASP 64 11.705 -3.130 -3.557 496 H GLY 65 HN GLY 65 9.814 -1.871 -3.638 497 1HA GLY 65 HA2 GLY 65 9.557 0.640 -2.230 498 2HA GLY 65 HA1 GLY 65 8.543 -0.776 -1.979 499 H LEU 66 HN LEU 66 11.898 -1.402 -1.720 500 HA LEU 66 HA LEU 66 11.656 -2.125 1.061 501 1HB LEU 66 HB2 LEU 66 13.593 -2.429 -1.027 502 2HB LEU 66 HB1 LEU 66 14.405 -1.709 0.361 503 HG LEU 66 HG LEU 66 14.495 -4.161 0.490 504 1HD1 LEU 66 HD12 LEU 66 13.635 -2.428 2.502 505 2HD1 LEU 66 HD11 LEU 66 12.526 -3.795 2.608 506 3HD1 LEU 66 HD13 LEU 66 14.266 -4.060 2.731 507 1HD2 LEU 66 HD23 LEU 66 11.796 -3.927 -0.440 508 2HD2 LEU 66 HD22 LEU 66 12.751 -5.388 -0.216 509 3HD2 LEU 66 HD21 LEU 66 11.775 -4.764 1.111 510 H GLU 67 HN GLU 67 13.412 0.520 -0.581 511 HA GLU 67 HA GLU 67 14.228 1.838 1.823 512 1HB GLU 67 HB2 GLU 67 14.387 2.305 -1.007 513 2HB GLU 67 HB1 GLU 67 13.830 3.781 -0.219 514 1HG GLU 67 HG2 GLU 67 15.729 3.759 1.291 515 2HG GLU 67 HG1 GLU 67 16.244 2.185 0.683 516 H LEU 68 HN LEU 68 11.169 1.549 0.314 517 HA LEU 68 HA LEU 68 10.061 4.050 1.355 518 1HB LEU 68 HB2 LEU 68 9.079 1.697 -0.182 519 2HB LEU 68 HB1 LEU 68 7.881 2.559 0.775 520 HG LEU 68 HG LEU 68 9.770 4.027 -1.041 521 1HD1 LEU 68 HD12 LEU 68 7.574 2.271 -1.810 522 2HD1 LEU 68 HD11 LEU 68 7.265 3.931 -2.301 523 3HD1 LEU 68 HD13 LEU 68 8.733 3.115 -2.834 524 1HD2 LEU 68 HD21 LEU 68 7.942 4.876 0.858 525 2HD2 LEU 68 HD23 LEU 68 8.557 5.855 -0.471 526 3HD2 LEU 68 HD22 LEU 68 7.029 4.993 -0.645 527 H LEU 69 HN LEU 69 9.158 0.654 1.972 528 HA LEU 69 HA LEU 69 7.777 0.963 4.384 529 1HB LEU 69 HB2 LEU 69 8.906 -1.137 2.911 530 2HB LEU 69 HB1 LEU 69 9.595 -1.283 4.521 531 HG LEU 69 HG LEU 69 6.636 -1.087 3.912 532 1HD1 LEU 69 HD12 LEU 69 8.465 -3.304 3.763 533 2HD1 LEU 69 HD11 LEU 69 7.360 -3.567 5.110 534 3HD1 LEU 69 HD13 LEU 69 6.723 -3.300 3.486 535 1HD2 LEU 69 HD22 LEU 69 8.139 -0.779 6.356 536 2HD2 LEU 69 HD21 LEU 69 6.391 -0.716 6.127 537 3HD2 LEU 69 HD23 LEU 69 7.184 -2.258 6.449 538 H LYS 70 HN LYS 70 11.223 0.071 4.150 539 HA LYS 70 HA LYS 70 11.992 0.358 6.791 540 1HB LYS 70 HB2 LYS 70 13.505 -0.339 4.940 541 2HB LYS 70 HB1 LYS 70 13.591 1.340 4.408 542 1HG LYS 70 HG2 LYS 70 14.136 1.172 7.243 543 2HG LYS 70 HG1 LYS 70 15.206 0.088 6.353 544 1HD LYS 70 HD2 LYS 70 14.757 2.988 5.599 545 2HD LYS 70 HD1 LYS 70 16.095 2.437 6.606 546 1HE LYS 70 HE2 LYS 70 17.253 1.729 4.806 547 2HE LYS 70 HE1 LYS 70 15.867 0.817 4.206 548 1HZ LYS 70 HZ2 LYS 70 14.999 3.152 3.563 549 2HZ LYS 70 HZ1 LYS 70 16.635 3.603 3.661 550 3HZ LYS 70 HZ3 LYS 70 16.154 2.391 2.577 551 H THR 71 HN THR 71 12.181 3.044 4.397 552 HA THR 71 HA THR 71 12.850 5.073 6.228 553 HB THR 71 HB THR 71 11.616 6.615 4.608 554 HG1 THR 71 HG1 THR 71 10.620 5.727 2.927 555 1HG2 THR 71 HG21 THR 71 13.760 4.664 3.812 556 2HG2 THR 71 HG23 THR 71 13.187 5.873 2.663 557 3HG2 THR 71 HG22 THR 71 13.910 6.380 4.190 558 H ILE 72 HN ILE 72 9.630 3.807 5.378 559 HA ILE 72 HA ILE 72 8.149 5.688 6.956 560 HB ILE 72 HB ILE 72 7.469 2.830 6.202 561 1HG1 ILE 72 HG12 ILE 72 6.336 5.313 4.932 562 2HG1 ILE 72 HG11 ILE 72 7.914 4.721 4.415 563 1HG2 ILE 72 HG22 ILE 72 6.013 4.969 7.669 564 2HG2 ILE 72 HG21 ILE 72 5.090 4.072 6.463 565 3HG2 ILE 72 HG23 ILE 72 5.865 3.216 7.796 566 1HD1 ILE 72 HD11 ILE 72 5.821 2.641 4.619 567 2HD1 ILE 72 HD13 ILE 72 5.539 3.850 3.368 568 3HD1 ILE 72 HD12 ILE 72 7.024 2.903 3.356 569 NH1 ARG 73 NH1 ARG 73 13.428 -1.771 7.525 570 NH2 ARG 73 NH2 ARG 73 13.254 -3.528 8.936 571 H ARG 73 HN ARG 73 9.512 2.480 7.729 572 HA ARG 73 HA ARG 73 8.550 2.677 10.495 573 1HB ARG 73 HB2 ARG 73 9.072 0.454 10.683 574 2HB ARG 73 HB1 ARG 73 9.012 0.534 8.924 575 1HG ARG 73 HG2 ARG 73 11.519 1.084 9.015 576 2HG ARG 73 HG1 ARG 73 11.457 0.585 10.706 577 1HD ARG 73 HD2 ARG 73 10.386 -1.582 9.881 578 2HD ARG 73 HD1 ARG 73 10.857 -1.081 8.257 579 HE ARG 73 HE ARG 73 12.941 -1.257 10.377 580 1HH1 ARG 73 HH11 ARG 73 13.274 -0.805 7.323 581 2HH1 ARG 73 HH12 ARG 73 13.873 -2.358 6.849 582 1HH2 ARG 73 HH21 ARG 73 12.963 -3.907 9.815 583 2HH2 ARG 73 HH22 ARG 73 13.698 -4.115 8.260 584 H ALA 74 HN ALA 74 11.117 3.993 8.818 585 HA ALA 74 HA ALA 74 13.088 3.745 10.993 586 1HB ALA 74 HB1 ALA 74 13.689 3.833 8.517 587 2HB ALA 74 HB3 ALA 74 13.250 5.541 8.563 588 3HB ALA 74 HB2 ALA 74 14.581 4.944 9.556 589 H ASP 75 HN ASP 75 10.722 6.047 9.815 590 HA ASP 75 HA ASP 75 11.601 8.431 11.001 591 1HB ASP 75 HB2 ASP 75 8.920 7.268 10.384 592 2HB ASP 75 HB1 ASP 75 8.973 8.685 11.433 593 H GLY 76 HN GLY 76 8.819 7.051 12.617 594 1HA GLY 76 HA2 GLY 76 9.823 5.974 14.952 595 2HA GLY 76 HA1 GLY 76 9.952 7.714 15.219 596 H ALA 77 HN ALA 77 8.014 8.958 15.372 597 HA ALA 77 HA ALA 77 5.783 7.661 16.572 598 1HB ALA 77 HB2 ALA 77 6.576 10.265 16.307 599 2HB ALA 77 HB1 ALA 77 5.215 10.211 15.185 600 3HB ALA 77 HB3 ALA 77 4.981 9.775 16.878 601 H MET 78 HN MET 78 6.498 8.481 13.224 602 HA MET 78 HA MET 78 3.803 7.607 12.361 603 1HB MET 78 HB2 MET 78 6.156 8.506 10.669 604 2HB MET 78 HB1 MET 78 4.478 8.352 10.150 605 1HG MET 78 HG2 MET 78 4.027 10.017 12.149 606 2HG MET 78 HG1 MET 78 5.729 10.421 11.924 607 1HE MET 78 HE3 MET 78 6.799 11.032 9.769 608 2HE MET 78 HE2 MET 78 6.032 9.832 8.733 609 3HE MET 78 HE1 MET 78 5.989 11.533 8.278 610 H SER 79 HN SER 79 6.343 5.974 13.391 611 HA SER 79 HA SER 79 6.860 4.161 11.173 612 1HB SER 79 HB2 SER 79 8.147 2.882 12.790 613 2HB SER 79 HB1 SER 79 8.484 4.592 13.041 614 HG SER 79 HG SER 79 6.693 2.934 14.495 615 H ALA 80 HN ALA 80 4.084 4.366 11.526 616 HA ALA 80 HA ALA 80 3.469 1.551 12.180 617 1HB ALA 80 HB2 ALA 80 3.094 3.380 14.155 618 2HB ALA 80 HB1 ALA 80 1.535 3.471 13.336 619 3HB ALA 80 HB3 ALA 80 2.109 1.929 13.970 620 H LEU 81 HN LEU 81 3.252 3.926 9.973 621 HA LEU 81 HA LEU 81 0.456 3.849 9.339 622 1HB LEU 81 HB2 LEU 81 2.910 4.810 7.946 623 2HB LEU 81 HB1 LEU 81 1.460 4.566 6.980 624 HG LEU 81 HG LEU 81 1.608 6.276 9.487 625 1HD1 LEU 81 HD12 LEU 81 2.415 6.821 6.808 626 2HD1 LEU 81 HD11 LEU 81 0.927 7.719 7.109 627 3HD1 LEU 81 HD13 LEU 81 2.322 7.946 8.163 628 1HD2 LEU 81 HD22 LEU 81 -0.609 5.329 7.761 629 2HD2 LEU 81 HD21 LEU 81 -0.649 5.903 9.428 630 3HD2 LEU 81 HD23 LEU 81 -0.617 7.061 8.099 631 HA PRO 82 HA PRO 82 0.672 -0.392 7.779 632 1HB PRO 82 HB2 PRO 82 -1.841 -0.101 6.416 633 2HB PRO 82 HB1 PRO 82 -1.509 -0.970 7.913 634 1HG PRO 82 HG2 PRO 82 -2.901 1.525 7.599 635 2HG PRO 82 HG1 PRO 82 -2.572 0.649 9.100 636 1HD PRO 82 HD2 PRO 82 -1.363 3.087 8.194 637 2HD PRO 82 HD1 PRO 82 -1.010 2.174 9.678 638 H VAL 83 HN VAL 83 2.042 -0.706 6.055 639 HA VAL 83 HA VAL 83 1.322 0.529 3.429 640 HB VAL 83 HB VAL 83 3.914 -0.150 4.674 641 1HG1 VAL 83 HG13 VAL 83 3.293 -1.104 1.848 642 2HG1 VAL 83 HG12 VAL 83 4.909 -0.615 2.323 643 3HG1 VAL 83 HG11 VAL 83 4.152 -1.972 3.124 644 1HG2 VAL 83 HG21 VAL 83 3.094 1.486 2.284 645 2HG2 VAL 83 HG23 VAL 83 3.305 2.094 3.926 646 3HG2 VAL 83 HG22 VAL 83 4.690 1.494 3.012 647 H LEU 84 HN LEU 84 -0.128 -0.948 2.458 648 HA LEU 84 HA LEU 84 0.538 -3.785 2.912 649 1HB LEU 84 HB2 LEU 84 -1.861 -3.154 3.051 650 2HB LEU 84 HB1 LEU 84 -1.804 -2.618 1.378 651 HG LEU 84 HG LEU 84 -1.784 -4.777 0.537 652 1HD1 LEU 84 HD13 LEU 84 -0.564 -5.737 3.157 653 2HD1 LEU 84 HD12 LEU 84 -1.054 -6.799 1.845 654 3HD1 LEU 84 HD11 LEU 84 0.246 -5.645 1.591 655 1HD2 LEU 84 HD22 LEU 84 -3.817 -4.415 1.965 656 2HD2 LEU 84 HD21 LEU 84 -3.393 -6.113 1.750 657 3HD2 LEU 84 HD23 LEU 84 -3.000 -5.292 3.259 658 H MET 85 HN MET 85 2.184 -4.439 1.714 659 HA MET 85 HA MET 85 2.714 -3.196 -0.861 660 1HB MET 85 HB2 MET 85 4.783 -4.280 -0.758 661 2HB MET 85 HB1 MET 85 4.376 -4.096 0.943 662 1HG MET 85 HG2 MET 85 5.076 -6.329 0.775 663 2HG MET 85 HG1 MET 85 3.330 -6.448 0.756 664 1HE MET 85 HE3 MET 85 6.423 -5.921 -1.126 665 2HE MET 85 HE2 MET 85 6.555 -7.677 -1.179 666 3HE MET 85 HE1 MET 85 6.297 -6.775 -2.670 667 H VAL 86 HN VAL 86 1.882 -3.872 -2.781 668 HA VAL 86 HA VAL 86 0.743 -6.615 -2.934 669 HB VAL 86 HB VAL 86 -0.957 -5.785 -4.217 670 1HG1 VAL 86 HG13 VAL 86 -0.869 -4.561 -2.014 671 2HG1 VAL 86 HG12 VAL 86 -0.125 -3.219 -2.877 672 3HG1 VAL 86 HG11 VAL 86 -1.764 -3.722 -3.279 673 1HG2 VAL 86 HG22 VAL 86 0.980 -3.689 -5.143 674 2HG2 VAL 86 HG21 VAL 86 0.240 -4.969 -6.102 675 3HG2 VAL 86 HG23 VAL 86 -0.735 -3.618 -5.529 676 H THR 87 HN THR 87 1.401 -7.967 -4.617 677 HA THR 87 HA THR 87 3.168 -6.810 -6.707 678 HB THR 87 HB THR 87 4.734 -7.307 -4.905 679 HG1 THR 87 HG1 THR 87 5.875 -7.903 -6.553 680 1HG2 THR 87 HG22 THR 87 3.226 -8.996 -3.800 681 2HG2 THR 87 HG21 THR 87 3.712 -10.154 -5.038 682 3HG2 THR 87 HG23 THR 87 4.911 -9.503 -3.920 683 H ALA 88 HN ALA 88 3.967 -8.694 -8.184 684 HA ALA 88 HA ALA 88 1.629 -10.491 -8.681 685 1HB ALA 88 HB2 ALA 88 3.310 -8.864 -10.397 686 2HB ALA 88 HB1 ALA 88 3.359 -10.553 -10.900 687 3HB ALA 88 HB3 ALA 88 1.814 -9.711 -10.789 688 H GLU 89 HN GLU 89 5.154 -10.559 -9.331 689 HA GLU 89 HA GLU 89 5.221 -13.462 -9.092 690 1HB GLU 89 HB2 GLU 89 7.553 -11.522 -9.096 691 2HB GLU 89 HB1 GLU 89 7.603 -13.242 -9.483 692 1HG GLU 89 HG2 GLU 89 7.469 -12.402 -11.625 693 2HG GLU 89 HG1 GLU 89 5.746 -12.502 -11.261 694 H ALA 90 HN ALA 90 4.118 -13.051 -6.828 695 HA ALA 90 HA ALA 90 5.756 -12.180 -4.637 696 1HB ALA 90 HB3 ALA 90 3.183 -12.514 -4.764 697 2HB ALA 90 HB2 ALA 90 3.534 -14.198 -4.369 698 3HB ALA 90 HB1 ALA 90 4.000 -12.914 -3.255 699 H LYS 91 HN LYS 91 7.775 -13.257 -4.780 700 HA LYS 91 HA LYS 91 7.772 -16.219 -4.660 701 1HB LYS 91 HB2 LYS 91 9.538 -14.280 -5.727 702 2HB LYS 91 HB1 LYS 91 10.388 -15.031 -4.376 703 1HG LYS 91 HG2 LYS 91 9.778 -17.276 -5.320 704 2HG LYS 91 HG1 LYS 91 9.115 -16.451 -6.731 705 1HD LYS 91 HD2 LYS 91 11.321 -15.415 -7.156 706 2HD LYS 91 HD1 LYS 91 11.983 -16.267 -5.761 707 1HE LYS 91 HE2 LYS 91 10.585 -18.088 -7.552 708 2HE LYS 91 HE1 LYS 91 11.877 -17.226 -8.386 709 1HZ LYS 91 HZ1 LYS 91 13.053 -17.855 -6.065 710 2HZ LYS 91 HZ3 LYS 91 12.034 -19.194 -6.275 711 3HZ LYS 91 HZ2 LYS 91 13.166 -18.793 -7.477 712 H LYS 92 HN LYS 92 8.506 -17.350 -2.825 713 HA LYS 92 HA LYS 92 7.976 -16.368 -0.274 714 1HB LYS 92 HB2 LYS 92 8.677 -18.774 -1.116 715 2HB LYS 92 HB1 LYS 92 10.288 -18.252 -0.619 716 1HG LYS 92 HG2 LYS 92 9.546 -19.129 1.385 717 2HG LYS 92 HG1 LYS 92 8.960 -17.474 1.562 718 1HD LYS 92 HD2 LYS 92 6.838 -18.429 0.303 719 2HD LYS 92 HD1 LYS 92 7.425 -19.970 0.930 720 1HE LYS 92 HE2 LYS 92 6.439 -17.568 2.430 721 2HE LYS 92 HE1 LYS 92 6.072 -19.273 2.689 722 1HZ LYS 92 HZ2 LYS 92 8.449 -19.535 3.364 723 2HZ LYS 92 HZ1 LYS 92 8.581 -17.841 3.352 724 3HZ LYS 92 HZ3 LYS 92 7.506 -18.600 4.423 725 H GLU 93 HN GLU 93 10.762 -15.749 -2.264 726 HA GLU 93 HA GLU 93 12.438 -14.815 -0.105 727 1HB GLU 93 HB2 GLU 93 12.744 -14.182 -3.041 728 2HB GLU 93 HB1 GLU 93 14.005 -14.207 -1.807 729 1HG GLU 93 HG2 GLU 93 13.199 -16.713 -1.501 730 2HG GLU 93 HG1 GLU 93 12.630 -16.499 -3.158 731 H ASN 94 HN ASN 94 10.743 -13.143 -2.787 732 HA ASN 94 HA ASN 94 11.277 -10.522 -1.724 733 1HB ASN 94 HB2 ASN 94 10.756 -10.377 -3.965 734 2HB ASN 94 HB1 ASN 94 9.534 -11.643 -3.868 735 1HD2 ASN 94 HD22 ASN 94 7.109 -9.076 -3.960 736 2HD2 ASN 94 HD21 ASN 94 7.743 -10.458 -4.714 737 H ILE 95 HN ILE 95 8.410 -12.634 -1.572 738 HA ILE 95 HA ILE 95 6.637 -10.935 -0.237 739 HB ILE 95 HB ILE 95 7.126 -13.903 0.087 740 1HG1 ILE 95 HG12 ILE 95 4.805 -12.380 -1.129 741 2HG1 ILE 95 HG11 ILE 95 6.197 -12.923 -2.065 742 1HG2 ILE 95 HG23 ILE 95 5.140 -12.086 1.454 743 2HG2 ILE 95 HG22 ILE 95 4.766 -13.786 1.168 744 3HG2 ILE 95 HG21 ILE 95 6.150 -13.344 2.166 745 1HD1 ILE 95 HD12 ILE 95 5.164 -15.078 -0.421 746 2HD1 ILE 95 HD11 ILE 95 3.900 -14.421 -1.460 747 3HD1 ILE 95 HD13 ILE 95 5.397 -15.025 -2.170 748 H ILE 96 HN ILE 96 9.502 -12.537 0.995 749 HA ILE 96 HA ILE 96 8.903 -11.700 3.763 750 HB ILE 96 HB ILE 96 11.166 -13.244 2.483 751 1HG1 ILE 96 HG12 ILE 96 9.275 -14.007 4.723 752 2HG1 ILE 96 HG11 ILE 96 8.918 -14.321 3.024 753 1HG2 ILE 96 HG21 ILE 96 10.933 -12.060 5.248 754 2HG2 ILE 96 HG23 ILE 96 11.891 -13.512 4.957 755 3HG2 ILE 96 HG22 ILE 96 12.305 -12.004 4.141 756 1HD1 ILE 96 HD13 ILE 96 11.616 -15.167 3.785 757 2HD1 ILE 96 HD12 ILE 96 10.359 -15.994 4.705 758 3HD1 ILE 96 HD11 ILE 96 10.355 -16.067 2.943 759 H ALA 97 HN ALA 97 10.612 -10.580 0.978 760 HA ALA 97 HA ALA 97 12.606 -8.968 2.226 761 1HB ALA 97 HB1 ALA 97 11.123 -8.543 -0.381 762 2HB ALA 97 HB3 ALA 97 12.583 -7.680 0.099 763 3HB ALA 97 HB2 ALA 97 12.642 -9.418 -0.177 764 H ALA 98 HN ALA 98 9.262 -8.189 1.263 765 HA ALA 98 HA ALA 98 9.420 -5.479 2.322 766 1HB ALA 98 HB2 ALA 98 7.620 -6.765 0.699 767 2HB ALA 98 HB1 ALA 98 6.772 -6.764 2.246 768 3HB ALA 98 HB3 ALA 98 7.294 -5.241 1.527 769 H ALA 99 HN ALA 99 7.756 -8.444 3.370 770 HA ALA 99 HA ALA 99 6.860 -7.478 5.833 771 1HB ALA 99 HB2 ALA 99 7.247 -10.097 4.586 772 2HB ALA 99 HB1 ALA 99 7.495 -10.147 6.332 773 3HB ALA 99 HB3 ALA 99 5.970 -9.555 5.676 774 H GLN 100 HN GLN 100 10.083 -8.505 4.828 775 HA GLN 100 HA GLN 100 11.262 -8.991 7.366 776 1HB GLN 100 HB2 GLN 100 12.229 -8.217 4.704 777 2HB GLN 100 HB1 GLN 100 13.182 -7.496 5.998 778 1HG GLN 100 HG2 GLN 100 12.474 -10.436 5.946 779 2HG GLN 100 HG1 GLN 100 13.948 -9.801 5.214 780 1HE2 GLN 100 HE21 GLN 100 14.182 -11.590 7.378 781 2HE2 GLN 100 HE22 GLN 100 14.740 -10.752 8.745 782 H ALA 101 HN ALA 101 10.292 -6.119 5.677 783 HA ALA 101 HA ALA 101 11.266 -4.292 7.778 784 1HB ALA 101 HB3 ALA 101 10.276 -4.057 5.051 785 2HB ALA 101 HB2 ALA 101 9.391 -2.972 6.123 786 3HB ALA 101 HB1 ALA 101 11.147 -2.863 6.013 787 H GLY 102 HN GLY 102 8.525 -6.126 6.830 788 1HA GLY 102 HA2 GLY 102 6.557 -6.661 7.929 789 2HA GLY 102 HA1 GLY 102 7.256 -5.911 9.344 790 H ALA 103 HN ALA 103 5.543 -5.077 6.279 791 HA ALA 103 HA ALA 103 4.839 -2.476 7.518 792 1HB ALA 103 HB3 ALA 103 4.096 -3.824 4.925 793 2HB ALA 103 HB2 ALA 103 3.601 -2.202 5.390 794 3HB ALA 103 HB1 ALA 103 5.267 -2.554 5.142 795 H SER 104 HN SER 104 2.452 -3.468 5.572 796 HA SER 104 HA SER 104 0.580 -3.986 7.837 797 1HB SER 104 HB2 SER 104 -0.380 -3.961 5.013 798 2HB SER 104 HB1 SER 104 -1.175 -3.386 6.470 799 HG SER 104 HG SER 104 1.148 -2.080 5.945 800 H GLY 105 HN GLY 105 1.396 -5.323 4.711 801 1HA GLY 105 HA2 GLY 105 1.639 -8.026 5.444 802 2HA GLY 105 HA1 GLY 105 -0.041 -7.781 5.016 803 OH TYR 106 OH TYR 106 1.481 -13.534 -2.925 804 H TYR 106 HN TYR 106 0.439 -9.284 3.215 805 HA TYR 106 HA TYR 106 1.463 -7.775 0.875 806 1HB TYR 106 HB2 TYR 106 3.323 -9.055 0.845 807 2HB TYR 106 HB1 TYR 106 2.669 -10.158 2.055 808 HD1 TYR 106 HD2 TYR 106 2.517 -9.302 -1.590 809 HD2 TYR 106 HD1 TYR 106 1.809 -12.271 1.433 810 HE1 TYR 106 HE2 TYR 106 2.092 -10.997 -3.346 811 HE2 TYR 106 HE1 TYR 106 1.388 -13.962 -0.322 812 HH TYR 106 HH TYR 106 1.889 -13.227 -3.736 813 H VAL 107 HN VAL 107 0.272 -8.060 -0.923 814 HA VAL 107 HA VAL 107 -1.697 -10.297 -1.011 815 HB VAL 107 HB VAL 107 -2.896 -8.288 -0.213 816 1HG1 VAL 107 HG12 VAL 107 -1.122 -6.827 -1.596 817 2HG1 VAL 107 HG11 VAL 107 -2.407 -6.883 -2.799 818 3HG1 VAL 107 HG13 VAL 107 -2.723 -6.208 -1.204 819 1HG2 VAL 107 HG22 VAL 107 -3.983 -9.883 -1.818 820 2HG2 VAL 107 HG21 VAL 107 -4.622 -8.245 -1.928 821 3HG2 VAL 107 HG23 VAL 107 -3.486 -8.832 -3.136 822 H VAL 108 HN VAL 108 -1.387 -11.362 -2.923 823 HA VAL 108 HA VAL 108 0.409 -10.528 -4.914 824 HB VAL 108 HB VAL 108 -1.790 -12.012 -6.107 825 1HG1 VAL 108 HG11 VAL 108 0.679 -12.012 -6.703 826 2HG1 VAL 108 HG13 VAL 108 0.946 -12.983 -5.255 827 3HG1 VAL 108 HG12 VAL 108 -0.058 -13.608 -6.563 828 1HG2 VAL 108 HG22 VAL 108 -0.739 -12.968 -3.427 829 2HG2 VAL 108 HG21 VAL 108 -2.415 -12.604 -3.836 830 3HG2 VAL 108 HG23 VAL 108 -1.609 -13.992 -4.569 831 H LYS 109 HN LYS 109 -0.486 -10.093 -7.347 832 HA LYS 109 HA LYS 109 -2.878 -8.368 -7.310 833 1HB LYS 109 HB2 LYS 109 -1.741 -6.387 -8.118 834 2HB LYS 109 HB1 LYS 109 -0.953 -6.911 -6.634 835 1HG LYS 109 HG2 LYS 109 0.970 -6.794 -7.822 836 2HG LYS 109 HG1 LYS 109 0.446 -8.301 -8.567 837 1HD LYS 109 HD2 LYS 109 -0.702 -7.021 -10.345 838 2HD LYS 109 HD1 LYS 109 -0.156 -5.517 -9.607 839 1HE LYS 109 HE2 LYS 109 2.202 -6.884 -9.814 840 2HE LYS 109 HE1 LYS 109 1.346 -7.463 -11.242 841 1HZ LYS 109 HZ3 LYS 109 0.896 -4.729 -11.074 842 2HZ LYS 109 HZ2 LYS 109 2.559 -4.957 -10.809 843 3HZ LYS 109 HZ1 LYS 109 1.831 -5.556 -12.223 844 HA PRO 110 HA PRO 110 -3.835 -6.912 -8.951 845 1HB PRO 110 HB2 PRO 110 -5.988 -7.841 -10.603 846 2HB PRO 110 HB1 PRO 110 -4.998 -6.393 -10.836 847 1HG PRO 110 HG2 PRO 110 -4.975 -8.751 -12.439 848 2HG PRO 110 HG1 PRO 110 -3.868 -7.376 -12.554 849 1HD PRO 110 HD2 PRO 110 -3.370 -10.045 -11.448 850 2HD PRO 110 HD1 PRO 110 -2.206 -8.767 -11.848 851 H PHE 111 HN PHE 111 -5.318 -7.100 -7.266 852 HA PHE 111 HA PHE 111 -6.239 -9.845 -6.570 853 1HB PHE 111 HB2 PHE 111 -6.954 -8.500 -4.426 854 2HB PHE 111 HB1 PHE 111 -5.257 -8.899 -4.666 855 HD1 PHE 111 HD1 PHE 111 -7.805 -6.247 -5.367 856 HD2 PHE 111 HD2 PHE 111 -3.677 -7.188 -4.740 857 HE1 PHE 111 HE1 PHE 111 -7.221 -3.845 -5.478 858 HE2 PHE 111 HE2 PHE 111 -3.089 -4.802 -4.837 859 HZ PHE 111 HZ PHE 111 -4.870 -3.108 -5.204 860 H THR 112 HN THR 112 -8.461 -10.021 -5.697 861 HA THR 112 HA THR 112 -10.347 -8.408 -7.327 862 HB THR 112 HB THR 112 -11.388 -10.494 -5.497 863 HG1 THR 112 HG1 THR 112 -9.252 -11.175 -6.475 864 1HG2 THR 112 HG22 THR 112 -12.680 -9.251 -7.278 865 2HG2 THR 112 HG21 THR 112 -11.718 -10.111 -8.481 866 3HG2 THR 112 HG23 THR 112 -12.776 -11.008 -7.393 867 H ALA 113 HN ALA 113 -11.946 -7.099 -6.273 868 HA ALA 113 HA ALA 113 -11.219 -5.742 -3.958 869 1HB ALA 113 HB1 ALA 113 -13.214 -5.326 -5.616 870 2HB ALA 113 HB3 ALA 113 -14.133 -6.303 -4.472 871 3HB ALA 113 HB2 ALA 113 -13.374 -4.802 -3.940 872 H ALA 114 HN ALA 114 -12.941 -8.809 -4.217 873 HA ALA 114 HA ALA 114 -13.588 -8.966 -1.409 874 1HB ALA 114 HB3 ALA 114 -13.271 -11.092 -3.551 875 2HB ALA 114 HB2 ALA 114 -13.776 -11.457 -1.901 876 3HB ALA 114 HB1 ALA 114 -14.779 -10.427 -2.924 877 H THR 115 HN THR 115 -10.789 -9.822 -3.368 878 HA THR 115 HA THR 115 -9.422 -11.208 -1.225 879 HB THR 115 HB THR 115 -8.526 -10.022 -3.848 880 HG1 THR 115 HG1 THR 115 -9.651 -12.095 -3.594 881 1HG2 THR 115 HG21 THR 115 -6.851 -11.197 -1.621 882 2HG2 THR 115 HG23 THR 115 -6.302 -11.164 -3.296 883 3HG2 THR 115 HG22 THR 115 -6.620 -9.655 -2.442 884 H LEU 116 HN LEU 116 -8.595 -7.979 -2.729 885 HA LEU 116 HA LEU 116 -6.984 -7.078 -0.619 886 1HB LEU 116 HB2 LEU 116 -7.845 -5.909 -2.867 887 2HB LEU 116 HB1 LEU 116 -8.949 -5.133 -1.737 888 HG LEU 116 HG LEU 116 -6.911 -4.599 -0.296 889 1HD1 LEU 116 HD13 LEU 116 -5.634 -6.176 -2.299 890 2HD1 LEU 116 HD12 LEU 116 -5.033 -4.528 -2.460 891 3HD1 LEU 116 HD11 LEU 116 -4.896 -5.370 -0.917 892 1HD2 LEU 116 HD21 LEU 116 -8.093 -2.968 -1.826 893 2HD2 LEU 116 HD23 LEU 116 -6.392 -2.601 -1.545 894 3HD2 LEU 116 HD22 LEU 116 -6.892 -3.354 -3.057 895 H GLU 117 HN GLU 117 -10.554 -7.029 -0.810 896 HA GLU 117 HA GLU 117 -10.913 -5.601 1.643 897 1HB GLU 117 HB2 GLU 117 -12.713 -5.787 -0.020 898 2HB GLU 117 HB1 GLU 117 -12.787 -7.528 0.254 899 1HG GLU 117 HG2 GLU 117 -13.073 -5.657 2.585 900 2HG GLU 117 HG1 GLU 117 -14.456 -5.942 1.527 901 H GLU 118 HN GLU 118 -11.699 -9.012 1.034 902 HA GLU 118 HA GLU 118 -11.970 -9.945 3.609 903 1HB GLU 118 HB2 GLU 118 -12.224 -11.377 1.617 904 2HB GLU 118 HB1 GLU 118 -10.476 -11.354 1.376 905 1HG GLU 118 HG2 GLU 118 -10.101 -12.508 3.460 906 2HG GLU 118 HG1 GLU 118 -11.800 -12.355 3.909 907 H LYS 119 HN LYS 119 -9.065 -8.773 2.143 908 HA LYS 119 HA LYS 119 -7.347 -9.957 4.237 909 1HB LYS 119 HB2 LYS 119 -6.806 -8.204 1.829 910 2HB LYS 119 HB1 LYS 119 -5.559 -8.582 3.019 911 1HG LYS 119 HG2 LYS 119 -7.121 -10.888 1.988 912 2HG LYS 119 HG1 LYS 119 -6.024 -10.123 0.839 913 1HD LYS 119 HD2 LYS 119 -5.121 -10.866 3.624 914 2HD LYS 119 HD1 LYS 119 -5.071 -12.031 2.302 915 1HE LYS 119 HE2 LYS 119 -3.265 -11.044 1.360 916 2HE LYS 119 HE1 LYS 119 -3.931 -9.426 1.572 917 1HZ LYS 119 HZ1 LYS 119 -3.164 -10.699 4.035 918 2HZ LYS 119 HZ3 LYS 119 -1.865 -10.453 2.973 919 3HZ LYS 119 HZ2 LYS 119 -2.818 -9.136 3.466 920 H LEU 120 HN LEU 120 -8.369 -6.711 3.129 921 HA LEU 120 HA LEU 120 -7.050 -5.216 5.132 922 1HB LEU 120 HB2 LEU 120 -9.582 -4.773 3.558 923 2HB LEU 120 HB1 LEU 120 -9.149 -3.653 4.842 924 HG LEU 120 HG LEU 120 -7.395 -4.354 2.464 925 1HD1 LEU 120 HD11 LEU 120 -9.604 -2.577 2.718 926 2HD1 LEU 120 HD13 LEU 120 -8.145 -1.587 2.671 927 3HD1 LEU 120 HD12 LEU 120 -8.485 -2.718 1.362 928 1HD2 LEU 120 HD21 LEU 120 -6.920 -2.912 4.994 929 2HD2 LEU 120 HD23 LEU 120 -5.760 -3.574 3.844 930 3HD2 LEU 120 HD22 LEU 120 -6.482 -1.992 3.558 931 H ASN 121 HN ASN 121 -10.423 -6.420 5.162 932 HA ASN 121 HA ASN 121 -11.187 -5.627 7.708 933 1HB ASN 121 HB2 ASN 121 -11.910 -7.835 5.906 934 2HB ASN 121 HB1 ASN 121 -12.217 -8.177 7.609 935 1HD2 ASN 121 HD22 ASN 121 -15.276 -6.441 7.150 936 2HD2 ASN 121 HD21 ASN 121 -14.541 -7.942 7.451 937 H LYS 122 HN LYS 122 -9.433 -8.628 6.914 938 HA LYS 122 HA LYS 122 -9.138 -9.582 9.564 939 1HB LYS 122 HB2 LYS 122 -7.955 -10.125 6.961 940 2HB LYS 122 HB1 LYS 122 -6.757 -10.255 8.248 941 1HG LYS 122 HG2 LYS 122 -8.241 -11.779 9.489 942 2HG LYS 122 HG1 LYS 122 -9.452 -11.645 8.213 943 1HD LYS 122 HD2 LYS 122 -7.641 -12.462 6.602 944 2HD LYS 122 HD1 LYS 122 -6.698 -12.880 8.032 945 1HE LYS 122 HE2 LYS 122 -9.480 -13.904 7.392 946 2HE LYS 122 HE1 LYS 122 -7.984 -14.826 7.243 947 1HZ LYS 122 HZ1 LYS 122 -8.568 -13.552 9.811 948 2HZ LYS 122 HZ3 LYS 122 -9.452 -14.939 9.398 949 3HZ LYS 122 HZ2 LYS 122 -7.756 -15.008 9.482 950 H ILE 123 HN ILE 123 -7.452 -7.043 7.841 951 HA ILE 123 HA ILE 123 -5.341 -6.848 9.878 952 HB ILE 123 HB ILE 123 -6.010 -5.343 7.358 953 1HG1 ILE 123 HG12 ILE 123 -3.425 -6.632 8.265 954 2HG1 ILE 123 HG11 ILE 123 -4.690 -7.535 7.432 955 1HG2 ILE 123 HG22 ILE 123 -4.220 -4.512 9.631 956 2HG2 ILE 123 HG21 ILE 123 -3.819 -4.062 7.974 957 3HG2 ILE 123 HG23 ILE 123 -5.341 -3.529 8.689 958 1HD1 ILE 123 HD12 ILE 123 -3.573 -4.967 6.302 959 2HD1 ILE 123 HD11 ILE 123 -2.824 -6.529 5.969 960 3HD1 ILE 123 HD13 ILE 123 -4.487 -6.223 5.465 961 H PHE 124 HN PHE 124 -8.223 -4.967 8.912 962 HA PHE 124 HA PHE 124 -7.745 -2.867 10.800 963 1HB PHE 124 HB2 PHE 124 -10.151 -3.755 9.231 964 2HB PHE 124 HB1 PHE 124 -10.289 -2.485 10.445 965 HD1 PHE 124 HD1 PHE 124 -8.298 -0.676 10.338 966 HD2 PHE 124 HD2 PHE 124 -9.647 -3.088 7.055 967 HE1 PHE 124 HE1 PHE 124 -7.288 0.931 8.755 968 HE2 PHE 124 HE2 PHE 124 -8.653 -1.466 5.470 969 HZ PHE 124 HZ PHE 124 -7.470 0.525 6.304 970 H GLU 125 HN GLU 125 -8.575 -6.066 11.334 971 HA GLU 125 HA GLU 125 -10.402 -5.661 13.553 972 1HB GLU 125 HB2 GLU 125 -9.471 -7.875 12.125 973 2HB GLU 125 HB1 GLU 125 -8.757 -8.076 13.727 974 1HG GLU 125 HG2 GLU 125 -10.898 -9.141 13.820 975 2HG GLU 125 HG1 GLU 125 -11.078 -7.611 14.678 976 H LYS 126 HN LYS 126 -7.025 -5.372 13.056 977 HA LYS 126 HA LYS 126 -6.462 -5.404 15.975 978 1HB LYS 126 HB2 LYS 126 -4.981 -6.250 13.750 979 2HB LYS 126 HB1 LYS 126 -4.220 -4.732 14.222 980 1HG LYS 126 HG2 LYS 126 -3.078 -6.323 15.520 981 2HG LYS 126 HG1 LYS 126 -4.291 -5.711 16.641 982 1HD LYS 126 HD2 LYS 126 -5.759 -7.622 16.105 983 2HD LYS 126 HD1 LYS 126 -4.561 -8.224 14.960 984 1HE LYS 126 HE2 LYS 126 -3.399 -9.217 16.611 985 2HE LYS 126 HE1 LYS 126 -3.317 -7.705 17.516 986 1HZ LYS 126 HZ2 LYS 126 -5.935 -8.744 17.631 987 2HZ LYS 126 HZ1 LYS 126 -4.835 -9.949 18.107 988 3HZ LYS 126 HZ3 LYS 126 -4.850 -8.453 18.905 989 H LEU 127 HN LEU 127 -6.720 -3.312 13.177 990 HA LEU 127 HA LEU 127 -5.653 -0.985 14.627 991 1HB LEU 127 HB2 LEU 127 -6.092 -1.647 11.880 992 2HB LEU 127 HB1 LEU 127 -7.071 -0.227 12.244 993 HG LEU 127 HG LEU 127 -4.118 -0.514 12.877 994 1HD1 LEU 127 HD11 LEU 127 -5.574 1.047 10.721 995 2HD1 LEU 127 HD13 LEU 127 -3.855 1.199 11.085 996 3HD1 LEU 127 HD12 LEU 127 -4.495 -0.325 10.469 997 1HD2 LEU 127 HD22 LEU 127 -6.203 1.352 13.721 998 2HD2 LEU 127 HD21 LEU 127 -4.552 1.177 14.316 999 3HD2 LEU 127 HD23 LEU 127 -4.877 2.175 12.900 1000 H GLY 128 HN GLY 128 -8.700 -2.542 14.078 1001 1HA GLY 128 HA2 GLY 128 -10.908 -1.878 14.572 1002 2HA GLY 128 HA1 GLY 128 -10.154 -1.230 16.029 1003 H MET 129 HN MET 129 -10.834 -0.393 12.625 1004 HA MET 129 HA MET 129 -10.554 2.481 13.297 1005 1HB MET 129 HB2 MET 129 -10.617 0.864 10.806 1006 2HB MET 129 HB1 MET 129 -11.333 2.472 10.703 1007 1HG MET 129 HG2 MET 129 -8.617 2.040 11.946 1008 2HG MET 129 HG1 MET 129 -8.808 2.277 10.209 1009 1HE MET 129 HE1 MET 129 -7.842 3.840 13.238 1010 2HE MET 129 HE3 MET 129 -6.987 4.181 11.727 1011 3HE MET 129 HE2 MET 129 -7.710 5.496 12.651 Start of MODEL 27 Raw file had 1011 H/Q atoms Start of MODEL 27 1 H ALA 2 HN ALA 2 -13.132 0.139 6.397 2 HA ALA 2 HA ALA 2 -13.961 1.185 9.025 3 1HB ALA 2 HB1 ALA 2 -11.467 0.128 7.809 4 2HB ALA 2 HB3 ALA 2 -11.249 1.385 9.029 5 3HB ALA 2 HB2 ALA 2 -12.112 -0.100 9.434 6 H ASP 3 HN ASP 3 -14.776 3.265 8.655 7 HA ASP 3 HA ASP 3 -14.530 5.608 8.512 8 1HB ASP 3 HB2 ASP 3 -11.986 4.852 9.053 9 2HB ASP 3 HB1 ASP 3 -11.767 5.488 7.424 10 H LYS 4 HN LYS 4 -15.299 6.796 6.808 11 HA LYS 4 HA LYS 4 -15.057 5.627 4.115 12 1HB LYS 4 HB2 LYS 4 -17.010 7.195 5.495 13 2HB LYS 4 HB1 LYS 4 -16.546 8.033 4.021 14 1HG LYS 4 HG2 LYS 4 -18.405 6.495 3.569 15 2HG LYS 4 HG1 LYS 4 -16.951 5.950 2.734 16 1HD LYS 4 HD2 LYS 4 -16.897 4.020 3.902 17 2HD LYS 4 HD1 LYS 4 -17.120 4.862 5.436 18 1HE LYS 4 HE2 LYS 4 -19.373 4.330 3.483 19 2HE LYS 4 HE1 LYS 4 -18.991 3.271 4.842 20 1HZ LYS 4 HZ3 LYS 4 -19.182 5.340 6.258 21 2HZ LYS 4 HZ2 LYS 4 -19.905 6.086 4.912 22 3HZ LYS 4 HZ1 LYS 4 -20.631 4.724 5.624 23 H GLU 5 HN GLU 5 -12.866 7.270 5.622 24 HA GLU 5 HA GLU 5 -12.134 8.815 3.215 25 1HB GLU 5 HB2 GLU 5 -13.501 10.365 4.601 26 2HB GLU 5 HB1 GLU 5 -12.364 10.142 5.930 27 1HG GLU 5 HG2 GLU 5 -10.890 10.780 3.553 28 2HG GLU 5 HG1 GLU 5 -12.169 11.974 3.765 29 H LEU 6 HN LEU 6 -10.856 6.492 4.351 30 HA LEU 6 HA LEU 6 -8.605 7.510 5.880 31 1HB LEU 6 HB2 LEU 6 -9.487 5.211 6.258 32 2HB LEU 6 HB1 LEU 6 -9.003 4.777 4.624 33 HG LEU 6 HG LEU 6 -6.653 5.118 5.169 34 1HD1 LEU 6 HD13 LEU 6 -7.807 6.277 7.693 35 2HD1 LEU 6 HD12 LEU 6 -6.207 5.541 7.726 36 3HD1 LEU 6 HD11 LEU 6 -6.522 6.914 6.665 37 1HD2 LEU 6 HD21 LEU 6 -8.218 3.498 7.182 38 2HD2 LEU 6 HD23 LEU 6 -7.387 2.929 5.732 39 3HD2 LEU 6 HD22 LEU 6 -6.457 3.496 7.122 40 H LYS 7 HN LYS 7 -6.937 8.548 4.878 41 HA LYS 7 HA LYS 7 -6.759 8.790 2.047 42 1HB LYS 7 HB2 LYS 7 -5.136 9.627 4.370 43 2HB LYS 7 HB1 LYS 7 -4.266 9.503 2.841 44 1HG LYS 7 HG2 LYS 7 -5.924 10.958 1.757 45 2HG LYS 7 HG1 LYS 7 -6.831 11.063 3.268 46 1HD LYS 7 HD2 LYS 7 -4.979 12.174 4.370 47 2HD LYS 7 HD1 LYS 7 -3.944 11.934 2.961 48 1HE LYS 7 HE2 LYS 7 -5.630 13.285 1.628 49 2HE LYS 7 HE1 LYS 7 -6.402 13.689 3.161 50 1HZ LYS 7 HZ2 LYS 7 -4.090 14.422 3.879 51 2HZ LYS 7 HZ1 LYS 7 -3.688 14.387 2.228 52 3HZ LYS 7 HZ3 LYS 7 -4.915 15.420 2.778 53 H PHE 8 HN PHE 8 -5.988 7.425 0.558 54 HA PHE 8 HA PHE 8 -4.005 5.348 1.365 55 1HB PHE 8 HB2 PHE 8 -6.089 5.367 -0.838 56 2HB PHE 8 HB1 PHE 8 -4.854 4.138 -0.677 57 HD1 PHE 8 HD2 PHE 8 -7.888 5.576 0.771 58 HD2 PHE 8 HD1 PHE 8 -4.987 2.437 1.071 59 HE1 PHE 8 HE2 PHE 8 -9.355 4.371 2.349 60 HE2 PHE 8 HE1 PHE 8 -6.467 1.216 2.649 61 HZ PHE 8 HZ PHE 8 -8.655 2.188 3.291 62 H LEU 9 HN LEU 9 -2.168 5.121 0.034 63 HA LEU 9 HA LEU 9 -1.956 7.093 -2.213 64 1HB LEU 9 HB2 LEU 9 -0.390 7.601 -0.302 65 2HB LEU 9 HB1 LEU 9 0.359 6.042 -0.585 66 HG LEU 9 HG LEU 9 0.774 6.736 -2.971 67 1HD1 LEU 9 HD13 LEU 9 -0.579 9.187 -1.951 68 2HD1 LEU 9 HD12 LEU 9 0.752 9.399 -3.084 69 3HD1 LEU 9 HD11 LEU 9 -0.653 8.447 -3.550 70 1HD2 LEU 9 HD23 LEU 9 2.315 7.209 -0.811 71 2HD2 LEU 9 HD22 LEU 9 2.784 7.676 -2.442 72 3HD2 LEU 9 HD21 LEU 9 2.064 8.866 -1.361 73 H VAL 10 HN VAL 10 -2.143 5.919 -4.080 74 HA VAL 10 HA VAL 10 -1.085 3.145 -4.124 75 HB VAL 10 HB VAL 10 -2.153 3.319 -6.524 76 1HG1 VAL 10 HG12 VAL 10 -3.573 3.118 -3.873 77 2HG1 VAL 10 HG11 VAL 10 -4.449 2.907 -5.390 78 3HG1 VAL 10 HG13 VAL 10 -3.121 1.821 -4.980 79 1HG2 VAL 10 HG21 VAL 10 -2.499 5.781 -6.375 80 2HG2 VAL 10 HG23 VAL 10 -4.006 4.907 -6.638 81 3HG2 VAL 10 HG22 VAL 10 -3.615 5.518 -5.033 82 H VAL 11 HN VAL 11 1.133 3.320 -4.400 83 HA VAL 11 HA VAL 11 2.166 5.196 -6.409 84 HB VAL 11 HB VAL 11 3.654 3.396 -4.478 85 1HG1 VAL 11 HG13 VAL 11 4.484 5.229 -6.656 86 2HG1 VAL 11 HG12 VAL 11 5.351 5.422 -5.133 87 3HG1 VAL 11 HG11 VAL 11 5.340 3.858 -5.950 88 1HG2 VAL 11 HG23 VAL 11 2.551 6.160 -4.318 89 2HG2 VAL 11 HG22 VAL 11 2.732 4.953 -3.048 90 3HG2 VAL 11 HG21 VAL 11 4.130 5.879 -3.592 91 H ASP 12 HN ASP 12 1.771 4.279 -8.415 92 HA ASP 12 HA ASP 12 3.378 1.922 -9.108 93 1HB ASP 12 HB2 ASP 12 0.866 1.352 -8.268 94 2HB ASP 12 HB1 ASP 12 0.545 1.673 -9.973 95 H ASP 13 HN ASP 13 3.894 1.929 -11.313 96 HA ASP 13 HA ASP 13 3.047 4.354 -12.794 97 1HB ASP 13 HB2 ASP 13 5.309 2.399 -13.022 98 2HB ASP 13 HB1 ASP 13 4.836 3.324 -14.447 99 H PHE 14 HN PHE 14 0.954 3.789 -13.511 100 HA PHE 14 HA PHE 14 0.880 2.063 -15.861 101 1HB PHE 14 HB2 PHE 14 0.427 0.781 -13.455 102 2HB PHE 14 HB1 PHE 14 -1.204 1.184 -13.990 103 HD1 PHE 14 HD2 PHE 14 -2.115 0.282 -16.074 104 HD2 PHE 14 HD1 PHE 14 1.852 -0.715 -14.762 105 HE1 PHE 14 HE2 PHE 14 -2.037 -1.571 -17.719 106 HE2 PHE 14 HE1 PHE 14 1.931 -2.568 -16.409 107 HZ PHE 14 HZ PHE 14 -0.014 -2.995 -17.888 108 H SER 15 HN SER 15 -1.022 2.445 -17.108 109 HA SER 15 HA SER 15 -2.469 4.908 -16.313 110 1HB SER 15 HB2 SER 15 -1.405 4.198 -18.699 111 2HB SER 15 HB1 SER 15 -3.044 3.588 -18.913 112 HG SER 15 HG SER 15 -2.521 6.177 -17.905 113 H THR 16 HN THR 16 -2.945 1.969 -15.362 114 HA THR 16 HA THR 16 -5.899 2.166 -15.561 115 HB THR 16 HB THR 16 -6.224 -0.003 -16.396 116 HG1 THR 16 HG1 THR 16 -4.408 -1.473 -16.508 117 1HG2 THR 16 HG22 THR 16 -5.253 1.549 -18.101 118 2HG2 THR 16 HG21 THR 16 -3.660 0.884 -17.743 119 3HG2 THR 16 HG23 THR 16 -4.910 -0.149 -18.436 120 H MET 17 HN MET 17 -3.013 1.132 -13.937 121 HA MET 17 HA MET 17 -4.148 -0.522 -11.914 122 1HB MET 17 HB2 MET 17 -1.716 -0.317 -12.256 123 2HB MET 17 HB1 MET 17 -1.778 1.363 -11.722 124 1HG MET 17 HG2 MET 17 -1.761 0.754 -9.552 125 2HG MET 17 HG1 MET 17 -3.076 -0.394 -9.805 126 1HE MET 17 HE2 MET 17 -1.397 -1.055 -7.730 127 2HE MET 17 HE1 MET 17 -2.259 -2.466 -8.337 128 3HE MET 17 HE3 MET 17 -0.531 -2.569 -7.975 129 NH1 ARG 18 NH1 ARG 18 -5.956 9.135 -9.843 130 NH2 ARG 18 NH2 ARG 18 -4.942 7.952 -8.206 131 H ARG 18 HN ARG 18 -3.144 2.897 -11.506 132 HA ARG 18 HA ARG 18 -4.428 3.401 -9.085 133 1HB ARG 18 HB2 ARG 18 -3.771 5.519 -9.484 134 2HB ARG 18 HB1 ARG 18 -3.175 4.946 -11.030 135 1HG ARG 18 HG2 ARG 18 -5.406 5.464 -12.041 136 2HG ARG 18 HG1 ARG 18 -5.901 6.160 -10.491 137 1HD ARG 18 HD2 ARG 18 -3.484 7.062 -12.075 138 2HD ARG 18 HD1 ARG 18 -5.057 7.859 -12.119 139 HE ARG 18 HE ARG 18 -3.105 8.250 -10.088 140 1HH1 ARG 18 HH11 ARG 18 -5.984 9.455 -10.790 141 2HH1 ARG 18 HH12 ARG 18 -6.676 9.403 -9.203 142 1HH2 ARG 18 HH21 ARG 18 -4.195 7.364 -7.898 143 2HH2 ARG 18 HH22 ARG 18 -5.664 8.221 -7.567 144 NH1 ARG 19 NH1 ARG 19 -8.611 7.898 -16.833 145 NH2 ARG 19 NH2 ARG 19 -8.369 6.061 -18.129 146 H ARG 19 HN ARG 19 -5.824 3.226 -12.305 147 HA ARG 19 HA ARG 19 -8.337 4.312 -11.485 148 1HB ARG 19 HB2 ARG 19 -7.179 3.255 -13.924 149 2HB ARG 19 HB1 ARG 19 -8.836 2.684 -13.716 150 1HG ARG 19 HG2 ARG 19 -9.616 4.985 -13.394 151 2HG ARG 19 HG1 ARG 19 -7.962 5.582 -13.530 152 1HD ARG 19 HD2 ARG 19 -8.498 3.921 -15.797 153 2HD ARG 19 HD1 ARG 19 -9.822 5.075 -15.633 154 HE ARG 19 HE ARG 19 -7.061 6.146 -15.489 155 1HH1 ARG 19 HH11 ARG 19 -8.558 8.338 -15.937 156 2HH1 ARG 19 HH12 ARG 19 -8.901 8.423 -17.633 157 1HH2 ARG 19 HH21 ARG 19 -8.131 5.096 -18.227 158 2HH2 ARG 19 HH22 ARG 19 -8.660 6.587 -18.928 159 H ILE 20 HN ILE 20 -7.066 1.024 -11.769 160 HA ILE 20 HA ILE 20 -9.529 -0.351 -11.277 161 HB ILE 20 HB ILE 20 -6.619 -1.040 -11.071 162 1HG1 ILE 20 HG12 ILE 20 -8.913 -2.465 -12.440 163 2HG1 ILE 20 HG11 ILE 20 -8.032 -1.135 -13.194 164 1HG2 ILE 20 HG21 ILE 20 -8.906 -2.567 -9.825 165 2HG2 ILE 20 HG23 ILE 20 -7.462 -3.396 -10.404 166 3HG2 ILE 20 HG22 ILE 20 -7.329 -2.187 -9.129 167 1HD1 ILE 20 HD11 ILE 20 -6.244 -3.143 -12.048 168 2HD1 ILE 20 HD13 ILE 20 -7.307 -3.817 -13.284 169 3HD1 ILE 20 HD12 ILE 20 -6.259 -2.452 -13.671 170 H VAL 21 HN VAL 21 -6.838 0.370 -9.021 171 HA VAL 21 HA VAL 21 -8.229 -0.502 -6.693 172 HB VAL 21 HB VAL 21 -6.506 1.497 -5.812 173 1HG1 VAL 21 HG12 VAL 21 -5.998 -1.429 -6.430 174 2HG1 VAL 21 HG11 VAL 21 -4.965 -0.431 -5.406 175 3HG1 VAL 21 HG13 VAL 21 -6.626 -0.769 -4.919 176 1HG2 VAL 21 HG22 VAL 21 -5.870 1.766 -8.254 177 2HG2 VAL 21 HG21 VAL 21 -4.531 1.357 -7.184 178 3HG2 VAL 21 HG23 VAL 21 -5.257 0.112 -8.201 179 NH1 ARG 22 NH1 ARG 22 -10.249 9.755 -8.205 180 NH2 ARG 22 NH2 ARG 22 -9.346 10.068 -6.157 181 H ARG 22 HN ARG 22 -8.248 2.573 -8.413 182 HA ARG 22 HA ARG 22 -9.342 4.283 -6.468 183 1HB ARG 22 HB2 ARG 22 -9.334 4.123 -9.401 184 2HB ARG 22 HB1 ARG 22 -10.755 4.938 -8.759 185 1HG ARG 22 HG2 ARG 22 -8.009 5.660 -7.743 186 2HG ARG 22 HG1 ARG 22 -8.607 6.343 -9.252 187 1HD ARG 22 HD2 ARG 22 -10.612 7.186 -8.084 188 2HD ARG 22 HD1 ARG 22 -10.009 6.519 -6.568 189 HE ARG 22 HE ARG 22 -7.940 8.106 -7.219 190 1HH1 ARG 22 HH11 ARG 22 -10.369 9.190 -9.021 191 2HH1 ARG 22 HH12 ARG 22 -10.700 10.645 -8.142 192 1HH2 ARG 22 HH21 ARG 22 -8.774 9.744 -5.403 193 2HH2 ARG 22 HH22 ARG 22 -9.797 10.959 -6.094 194 H ASN 23 HN ASN 23 -11.154 2.228 -8.768 195 HA ASN 23 HA ASN 23 -13.727 2.713 -7.638 196 1HB ASN 23 HB2 ASN 23 -12.640 1.393 -9.808 197 2HB ASN 23 HB1 ASN 23 -13.270 0.094 -8.832 198 1HD2 ASN 23 HD22 ASN 23 -16.668 0.890 -9.452 199 2HD2 ASN 23 HD21 ASN 23 -15.580 -0.110 -8.618 200 H LEU 24 HN LEU 24 -11.610 -0.113 -7.474 201 HA LEU 24 HA LEU 24 -12.869 -1.801 -5.750 202 1HB LEU 24 HB2 LEU 24 -10.491 -1.914 -6.723 203 2HB LEU 24 HB1 LEU 24 -9.999 -1.021 -5.295 204 HG LEU 24 HG LEU 24 -11.658 -3.244 -4.485 205 1HD1 LEU 24 HD12 LEU 24 -9.342 -3.912 -6.320 206 2HD1 LEU 24 HD11 LEU 24 -10.130 -5.073 -5.253 207 3HD1 LEU 24 HD13 LEU 24 -11.037 -4.325 -6.566 208 1HD2 LEU 24 HD23 LEU 24 -8.779 -2.428 -4.076 209 2HD2 LEU 24 HD22 LEU 24 -10.101 -2.423 -2.912 210 3HD2 LEU 24 HD21 LEU 24 -9.395 -3.950 -3.438 211 H LEU 25 HN LEU 25 -10.697 0.785 -4.519 212 HA LEU 25 HA LEU 25 -11.361 0.532 -1.784 213 1HB LEU 25 HB2 LEU 25 -10.379 2.789 -3.498 214 2HB LEU 25 HB1 LEU 25 -10.890 3.139 -1.851 215 HG LEU 25 HG LEU 25 -9.047 0.824 -2.320 216 1HD1 LEU 25 HD13 LEU 25 -8.377 3.739 -2.580 217 2HD1 LEU 25 HD12 LEU 25 -7.199 2.644 -1.857 218 3HD1 LEU 25 HD11 LEU 25 -7.764 2.369 -3.505 219 1HD2 LEU 25 HD21 LEU 25 -9.354 2.899 -0.120 220 2HD2 LEU 25 HD23 LEU 25 -9.948 1.239 -0.069 221 3HD2 LEU 25 HD22 LEU 25 -8.215 1.555 -0.091 222 H LYS 26 HN LYS 26 -12.847 2.670 -4.237 223 HA LYS 26 HA LYS 26 -14.807 3.817 -2.587 224 1HB LYS 26 HB2 LYS 26 -14.163 3.934 -5.276 225 2HB LYS 26 HB1 LYS 26 -15.771 3.210 -5.285 226 1HG LYS 26 HG2 LYS 26 -16.621 5.053 -3.890 227 2HG LYS 26 HG1 LYS 26 -15.012 5.775 -3.853 228 1HD LYS 26 HD2 LYS 26 -16.095 5.156 -6.548 229 2HD LYS 26 HD1 LYS 26 -16.895 6.462 -5.675 230 1HE LYS 26 HE2 LYS 26 -14.948 7.760 -5.568 231 2HE LYS 26 HE1 LYS 26 -13.891 6.371 -5.820 232 1HZ LYS 26 HZ3 LYS 26 -15.218 6.283 -8.074 233 2HZ LYS 26 HZ2 LYS 26 -15.396 7.944 -7.769 234 3HZ LYS 26 HZ1 LYS 26 -13.846 7.261 -7.890 235 H GLU 27 HN GLU 27 -14.835 0.746 -4.342 236 HA GLU 27 HA GLU 27 -17.516 0.023 -3.968 237 1HB GLU 27 HB2 GLU 27 -15.248 -1.220 -4.967 238 2HB GLU 27 HB1 GLU 27 -15.668 -2.211 -3.569 239 1HG GLU 27 HG2 GLU 27 -16.883 -3.119 -5.426 240 2HG GLU 27 HG1 GLU 27 -18.055 -2.232 -4.450 241 H LEU 28 HN LEU 28 -14.734 -0.434 -1.807 242 HA LEU 28 HA LEU 28 -16.266 -1.733 0.264 243 1HB LEU 28 HB2 LEU 28 -13.534 -0.637 -0.040 244 2HB LEU 28 HB1 LEU 28 -14.164 -0.624 1.607 245 HG LEU 28 HG LEU 28 -14.343 -3.085 -0.133 246 1HD1 LEU 28 HD11 LEU 28 -11.986 -1.902 1.182 247 2HD1 LEU 28 HD13 LEU 28 -12.289 -3.583 1.626 248 3HD1 LEU 28 HD12 LEU 28 -12.073 -3.143 -0.069 249 1HD2 LEU 28 HD23 LEU 28 -15.435 -2.441 2.325 250 2HD2 LEU 28 HD22 LEU 28 -15.159 -4.078 1.735 251 3HD2 LEU 28 HD21 LEU 28 -13.964 -3.303 2.775 252 H GLY 29 HN GLY 29 -14.896 1.557 0.099 253 1HA GLY 29 HA2 GLY 29 -16.961 3.180 0.604 254 2HA GLY 29 HA1 GLY 29 -16.755 2.422 2.177 255 H PHE 30 HN PHE 30 -14.921 4.224 -0.293 256 HA PHE 30 HA PHE 30 -13.624 5.754 1.883 257 1HB PHE 30 HB2 PHE 30 -12.129 4.001 -0.086 258 2HB PHE 30 HB1 PHE 30 -11.362 5.374 0.696 259 HD1 PHE 30 HD2 PHE 30 -11.776 5.472 3.342 260 HD2 PHE 30 HD1 PHE 30 -11.938 1.925 0.938 261 HE1 PHE 30 HE2 PHE 30 -11.307 4.086 5.347 262 HE2 PHE 30 HE1 PHE 30 -11.484 0.539 2.940 263 HZ PHE 30 HZ PHE 30 -11.171 1.621 5.149 264 H ASN 31 HN ASN 31 -12.745 7.798 1.056 265 HA ASN 31 HA ASN 31 -13.137 8.345 -1.816 266 1HB ASN 31 HB2 ASN 31 -14.297 10.546 -0.879 267 2HB ASN 31 HB1 ASN 31 -15.225 9.088 -1.191 268 1HD2 ASN 31 HD22 ASN 31 -16.097 8.651 2.187 269 2HD2 ASN 31 HD21 ASN 31 -16.330 8.187 0.571 270 H ASN 32 HN ASN 32 -10.636 8.230 -1.049 271 HA ASN 32 HA ASN 32 -9.605 10.889 -1.278 272 1HB ASN 32 HB2 ASN 32 -10.410 10.468 1.297 273 2HB ASN 32 HB1 ASN 32 -8.747 9.902 1.381 274 1HD2 ASN 32 HD22 ASN 32 -9.350 13.810 1.478 275 2HD2 ASN 32 HD21 ASN 32 -10.501 12.634 1.891 276 H VAL 33 HN VAL 33 -8.191 9.997 -2.806 277 HA VAL 33 HA VAL 33 -5.936 8.456 -1.678 278 HB VAL 33 HB VAL 33 -7.292 6.630 -2.381 279 1HG1 VAL 33 HG13 VAL 33 -7.787 8.255 -4.889 280 2HG1 VAL 33 HG12 VAL 33 -8.325 6.591 -4.657 281 3HG1 VAL 33 HG11 VAL 33 -8.964 7.876 -3.631 282 1HG2 VAL 33 HG22 VAL 33 -4.851 6.906 -3.362 283 2HG2 VAL 33 HG21 VAL 33 -5.883 5.593 -3.924 284 3HG2 VAL 33 HG23 VAL 33 -5.706 7.053 -4.895 285 H GLU 34 HN GLU 34 -4.006 8.643 -2.950 286 HA GLU 34 HA GLU 34 -4.189 10.502 -5.296 287 1HB GLU 34 HB2 GLU 34 -2.040 10.462 -3.164 288 2HB GLU 34 HB1 GLU 34 -2.059 11.504 -4.582 289 1HG GLU 34 HG2 GLU 34 -4.447 12.174 -3.655 290 2HG GLU 34 HG1 GLU 34 -3.770 11.615 -2.125 291 H GLU 35 HN GLU 35 -1.522 10.340 -6.070 292 HA GLU 35 HA GLU 35 -0.880 7.453 -6.239 293 1HB GLU 35 HB2 GLU 35 -2.508 8.155 -8.116 294 2HB GLU 35 HB1 GLU 35 -1.141 9.047 -8.784 295 1HG GLU 35 HG2 GLU 35 0.058 6.670 -8.296 296 2HG GLU 35 HG1 GLU 35 -1.586 6.118 -8.614 297 H ALA 36 HN ALA 36 1.260 7.030 -6.846 298 HA ALA 36 HA ALA 36 3.029 9.355 -7.408 299 1HB ALA 36 HB1 ALA 36 2.814 8.403 -4.848 300 2HB ALA 36 HB3 ALA 36 4.144 7.426 -5.473 301 3HB ALA 36 HB2 ALA 36 4.251 9.185 -5.497 302 H GLU 37 HN GLU 37 5.459 8.046 -7.436 303 HA GLU 37 HA GLU 37 5.052 5.592 -9.064 304 1HB GLU 37 HB2 GLU 37 6.891 6.771 -10.611 305 2HB GLU 37 HB1 GLU 37 5.161 6.973 -10.889 306 1HG GLU 37 HG2 GLU 37 5.140 9.074 -9.710 307 2HG GLU 37 HG1 GLU 37 6.797 8.837 -9.152 308 H ASP 38 HN ASP 38 6.687 6.958 -6.541 309 HA ASP 38 HA ASP 38 8.611 4.839 -6.418 310 1HB ASP 38 HB2 ASP 38 10.444 5.648 -7.457 311 2HB ASP 38 HB1 ASP 38 9.411 6.897 -8.151 312 H GLY 39 HN GLY 39 9.976 5.025 -4.484 313 1HA GLY 39 HA2 GLY 39 8.683 6.036 -2.221 314 2HA GLY 39 HA1 GLY 39 10.421 5.736 -2.283 315 H VAL 40 HN VAL 40 11.381 7.649 -3.966 316 HA VAL 40 HA VAL 40 11.443 9.993 -2.420 317 HB VAL 40 HB VAL 40 11.965 9.449 -5.334 318 1HG1 VAL 40 HG13 VAL 40 11.717 12.126 -3.973 319 2HG1 VAL 40 HG12 VAL 40 12.839 11.901 -5.316 320 3HG1 VAL 40 HG11 VAL 40 11.113 11.631 -5.555 321 1HG2 VAL 40 HG21 VAL 40 13.568 8.909 -3.403 322 2HG2 VAL 40 HG23 VAL 40 14.231 9.876 -4.721 323 3HG2 VAL 40 HG22 VAL 40 13.752 10.653 -3.212 324 H ASP 41 HN ASP 41 9.129 8.915 -4.825 325 HA ASP 41 HA ASP 41 7.726 11.471 -4.962 326 1HB ASP 41 HB2 ASP 41 7.833 9.523 -6.708 327 2HB ASP 41 HB1 ASP 41 6.536 8.826 -5.744 328 H ALA 42 HN ALA 42 7.126 8.292 -3.428 329 HA ALA 42 HA ALA 42 4.650 9.056 -2.208 330 1HB ALA 42 HB1 ALA 42 5.995 6.708 -2.436 331 2HB ALA 42 HB3 ALA 42 6.369 7.117 -0.761 332 3HB ALA 42 HB2 ALA 42 4.690 6.963 -1.278 333 H LEU 43 HN LEU 43 7.916 8.781 -0.765 334 HA LEU 43 HA LEU 43 7.375 9.832 1.757 335 1HB LEU 43 HB2 LEU 43 9.800 10.112 -0.023 336 2HB LEU 43 HB1 LEU 43 9.766 10.774 1.612 337 HG LEU 43 HG LEU 43 8.883 7.945 1.253 338 1HD1 LEU 43 HD11 LEU 43 11.756 8.895 1.099 339 2HD1 LEU 43 HD13 LEU 43 11.298 7.235 1.481 340 3HD1 LEU 43 HD12 LEU 43 10.889 7.924 -0.090 341 1HD2 LEU 43 HD21 LEU 43 8.849 9.126 3.449 342 2HD2 LEU 43 HD23 LEU 43 9.927 7.731 3.458 343 3HD2 LEU 43 HD22 LEU 43 10.592 9.359 3.325 344 H ASN 44 HN ASN 44 8.351 11.746 -1.131 345 HA ASN 44 HA ASN 44 7.943 14.271 0.205 346 1HB ASN 44 HB2 ASN 44 8.284 13.420 -2.656 347 2HB ASN 44 HB1 ASN 44 7.811 15.074 -2.283 348 1HD2 ASN 44 HD22 ASN 44 11.657 14.205 -2.055 349 2HD2 ASN 44 HD21 ASN 44 10.513 13.368 -2.987 350 H LYS 45 HN LYS 45 5.866 12.179 -1.721 351 HA LYS 45 HA LYS 45 3.723 14.170 -1.848 352 1HB LYS 45 HB2 LYS 45 4.061 12.497 -3.657 353 2HB LYS 45 HB1 LYS 45 3.663 11.213 -2.518 354 1HG LYS 45 HG2 LYS 45 1.446 11.600 -2.697 355 2HG LYS 45 HG1 LYS 45 1.654 13.341 -2.526 356 1HD LYS 45 HD2 LYS 45 2.228 11.809 -5.079 357 2HD LYS 45 HD1 LYS 45 0.712 12.646 -4.755 358 1HE LYS 45 HE2 LYS 45 1.649 14.534 -5.549 359 2HE LYS 45 HE1 LYS 45 2.761 14.510 -4.181 360 1HZ LYS 45 HZ2 LYS 45 3.420 12.693 -6.334 361 2HZ LYS 45 HZ1 LYS 45 3.524 14.341 -6.735 362 3HZ LYS 45 HZ3 LYS 45 4.425 13.727 -5.435 363 H LEU 46 HN LEU 46 4.792 11.956 0.523 364 HA LEU 46 HA LEU 46 2.111 11.431 1.577 365 1HB LEU 46 HB2 LEU 46 4.759 10.398 2.074 366 2HB LEU 46 HB1 LEU 46 4.053 10.932 3.598 367 HG LEU 46 HG LEU 46 1.961 9.644 2.952 368 1HD1 LEU 46 HD13 LEU 46 3.338 9.414 0.512 369 2HD1 LEU 46 HD12 LEU 46 3.340 7.798 1.218 370 3HD1 LEU 46 HD11 LEU 46 1.814 8.645 0.954 371 1HD2 LEU 46 HD21 LEU 46 3.660 8.791 4.550 372 2HD2 LEU 46 HD23 LEU 46 2.843 7.507 3.660 373 3HD2 LEU 46 HD22 LEU 46 4.475 7.995 3.204 374 H GLN 47 HN GLN 47 4.544 13.864 1.919 375 HA GLN 47 HA GLN 47 3.814 14.875 4.501 376 1HB GLN 47 HB2 GLN 47 5.835 15.500 2.976 377 2HB GLN 47 HB1 GLN 47 4.714 16.638 2.227 378 1HG GLN 47 HG2 GLN 47 4.224 17.543 4.530 379 2HG GLN 47 HG1 GLN 47 5.532 16.530 5.142 380 1HE2 GLN 47 HE22 GLN 47 6.795 19.289 2.377 381 2HE2 GLN 47 HE21 GLN 47 5.473 18.289 2.015 382 H ALA 48 HN ALA 48 2.039 14.631 1.678 383 HA ALA 48 HA ALA 48 0.623 16.969 1.323 384 1HB ALA 48 HB3 ALA 48 0.315 14.540 0.311 385 2HB ALA 48 HB2 ALA 48 -0.960 14.438 1.526 386 3HB ALA 48 HB1 ALA 48 -1.017 15.696 0.292 387 H GLY 49 HN GLY 49 -0.700 14.389 3.453 388 1HA GLY 49 HA2 GLY 49 -1.306 16.462 5.483 389 2HA GLY 49 HA1 GLY 49 -2.687 15.635 4.766 390 H GLY 50 HN GLY 50 0.018 13.600 4.907 391 1HA GLY 50 HA2 GLY 50 0.723 12.038 6.583 392 2HA GLY 50 HA1 GLY 50 -0.559 12.634 7.641 393 OH TYR 51 OH TYR 51 -1.616 11.582 -1.158 394 H TYR 51 HN TYR 51 0.118 10.571 4.871 395 HA TYR 51 HA TYR 51 -2.548 9.669 4.421 396 1HB TYR 51 HB2 TYR 51 0.168 8.525 3.846 397 2HB TYR 51 HB1 TYR 51 -1.287 7.607 3.491 398 HD1 TYR 51 HD1 TYR 51 0.153 11.032 2.999 399 HD2 TYR 51 HD2 TYR 51 -2.347 7.909 1.438 400 HE1 TYR 51 HE1 TYR 51 -0.163 12.325 0.913 401 HE2 TYR 51 HE2 TYR 51 -2.672 9.208 -0.646 402 HH TYR 51 HH TYR 51 -0.862 11.416 -1.729 403 H GLY 52 HN GLY 52 -3.722 8.039 5.331 404 1HA GLY 52 HA2 GLY 52 -2.621 6.819 7.803 405 2HA GLY 52 HA1 GLY 52 -4.321 6.877 7.367 406 H PHE 53 HN PHE 53 -2.642 6.163 4.606 407 HA PHE 53 HA PHE 53 -2.203 3.312 5.022 408 1HB PHE 53 HB2 PHE 53 -4.779 3.906 4.845 409 2HB PHE 53 HB1 PHE 53 -4.424 3.928 3.131 410 HD1 PHE 53 HD2 PHE 53 -3.063 1.847 2.240 411 HD2 PHE 53 HD1 PHE 53 -5.304 1.902 5.883 412 HE1 PHE 53 HE2 PHE 53 -3.238 -0.604 2.167 413 HE2 PHE 53 HE1 PHE 53 -5.498 -0.544 5.812 414 HZ PHE 53 HZ PHE 53 -4.446 -1.823 3.959 415 H VAL 54 HN VAL 54 -1.107 2.421 3.200 416 HA VAL 54 HA VAL 54 -0.907 4.078 0.759 417 HB VAL 54 HB VAL 54 1.473 3.357 2.473 418 1HG1 VAL 54 HG11 VAL 54 1.227 3.877 -0.389 419 2HG1 VAL 54 HG13 VAL 54 2.318 5.012 0.405 420 3HG1 VAL 54 HG12 VAL 54 2.611 3.277 0.523 421 1HG2 VAL 54 HG23 VAL 54 0.121 5.948 1.731 422 2HG2 VAL 54 HG22 VAL 54 0.499 5.334 3.338 423 3HG2 VAL 54 HG21 VAL 54 1.793 5.902 2.285 424 H ILE 55 HN ILE 55 -1.049 2.747 -0.925 425 HA ILE 55 HA ILE 55 -0.302 -0.123 -0.566 426 HB ILE 55 HB ILE 55 -1.722 0.439 -3.028 427 1HG1 ILE 55 HG12 ILE 55 -3.008 1.409 -0.455 428 2HG1 ILE 55 HG11 ILE 55 -2.592 2.407 -1.848 429 1HG2 ILE 55 HG23 ILE 55 -1.545 -1.723 -1.733 430 2HG2 ILE 55 HG22 ILE 55 -2.633 -1.022 -0.535 431 3HG2 ILE 55 HG21 ILE 55 -3.190 -1.284 -2.188 432 1HD1 ILE 55 HD12 ILE 55 -4.091 0.676 -3.156 433 2HD1 ILE 55 HD11 ILE 55 -4.778 0.373 -1.561 434 3HD1 ILE 55 HD13 ILE 55 -4.845 1.992 -2.257 435 H SER 56 HN SER 56 1.920 0.059 -1.020 436 HA SER 56 HA SER 56 2.724 1.329 -3.582 437 1HB SER 56 HB2 SER 56 5.056 0.793 -2.714 438 2HB SER 56 HB1 SER 56 4.135 1.934 -1.740 439 HG SER 56 HG SER 56 3.436 -0.233 -0.697 440 H ASP 57 HN ASP 57 4.090 0.088 -5.078 441 HA ASP 57 HA ASP 57 3.543 -2.851 -4.947 442 1HB ASP 57 HB2 ASP 57 3.253 -2.889 -7.304 443 2HB ASP 57 HB1 ASP 57 2.345 -1.479 -6.755 444 CH2 TRP 58 CH2 TRP 58 8.952 -7.417 -2.041 445 H TRP 58 HN TRP 58 5.191 -4.191 -6.071 446 HA TRP 58 HA TRP 58 7.802 -3.786 -5.182 447 1HB TRP 58 HB2 TRP 58 6.490 -5.679 -6.768 448 2HB TRP 58 HB1 TRP 58 7.776 -5.075 -7.807 449 HD1 TRP 58 HD1 TRP 58 9.876 -6.455 -7.587 450 HE1 TRP 58 HE1 TRP 58 11.077 -7.726 -5.694 451 HE3 TRP 58 HE3 TRP 58 6.665 -5.529 -3.721 452 HZ2 TRP 58 HZ2 TRP 58 10.722 -8.280 -2.908 453 HZ3 TRP 58 HZ3 TRP 58 7.131 -6.441 -1.462 454 HH2 TRP 58 HH2 TRP 58 9.143 -7.809 -1.053 455 H ASN 59 HN ASN 59 8.496 -1.639 -5.483 456 HA ASN 59 HA ASN 59 8.825 -0.711 -8.307 457 1HB ASN 59 HB2 ASN 59 8.422 0.681 -5.691 458 2HB ASN 59 HB1 ASN 59 9.353 1.504 -6.943 459 1HD2 ASN 59 HD22 ASN 59 5.745 0.411 -8.466 460 2HD2 ASN 59 HD21 ASN 59 6.856 -0.755 -7.929 461 H MET 60 HN MET 60 10.851 -0.874 -9.114 462 HA MET 60 HA MET 60 13.143 -0.466 -7.259 463 1HB MET 60 HB2 MET 60 14.332 -2.359 -8.340 464 2HB MET 60 HB1 MET 60 12.886 -2.879 -7.475 465 1HG MET 60 HG2 MET 60 12.173 -3.840 -9.383 466 2HG MET 60 HG1 MET 60 12.014 -2.225 -10.072 467 1HE MET 60 HE1 MET 60 14.283 -4.759 -8.883 468 2HE MET 60 HE3 MET 60 14.526 -5.602 -10.419 469 3HE MET 60 HE2 MET 60 15.803 -4.584 -9.757 470 HA PRO 61 HA PRO 61 13.410 1.460 -11.706 471 1HB PRO 61 HB2 PRO 61 13.252 4.081 -10.522 472 2HB PRO 61 HB1 PRO 61 12.146 3.360 -11.700 473 1HG PRO 61 HG2 PRO 61 11.718 3.792 -8.852 474 2HG PRO 61 HG1 PRO 61 10.562 3.232 -10.067 475 1HD PRO 61 HD2 PRO 61 11.712 1.661 -8.013 476 2HD PRO 61 HD1 PRO 61 10.787 1.079 -9.413 477 H ASN 62 HN ASN 62 14.505 1.987 -8.450 478 HA ASN 62 HA ASN 62 17.273 1.789 -9.044 479 1HB ASN 62 HB2 ASN 62 17.835 4.234 -8.426 480 2HB ASN 62 HB1 ASN 62 17.253 3.937 -10.064 481 1HD2 ASN 62 HD22 ASN 62 14.666 6.269 -9.598 482 2HD2 ASN 62 HD21 ASN 62 15.865 5.627 -10.615 483 H MET 63 HN MET 63 15.977 0.491 -7.176 484 HA MET 63 HA MET 63 16.196 -0.040 -4.889 485 1HB MET 63 HB2 MET 63 18.250 1.690 -5.187 486 2HB MET 63 HB1 MET 63 17.218 2.646 -4.123 487 1HG MET 63 HG2 MET 63 17.034 0.567 -2.653 488 2HG MET 63 HG1 MET 63 18.339 -0.117 -3.622 489 1HE MET 63 HE3 MET 63 20.686 0.447 -3.556 490 2HE MET 63 HE2 MET 63 21.364 0.972 -2.018 491 3HE MET 63 HE1 MET 63 20.235 -0.380 -2.059 492 H ASP 64 HN ASP 64 13.997 -0.076 -4.458 493 HA ASP 64 HA ASP 64 12.899 2.098 -2.890 494 1HB ASP 64 HB2 ASP 64 12.282 1.910 -5.782 495 2HB ASP 64 HB1 ASP 64 10.891 2.133 -4.723 496 H GLY 65 HN GLY 65 10.254 1.562 -2.905 497 1HA GLY 65 HA2 GLY 65 8.613 -0.022 -2.320 498 2HA GLY 65 HA1 GLY 65 9.604 -1.242 -3.097 499 H LEU 66 HN LEU 66 11.676 -1.817 -1.787 500 HA LEU 66 HA LEU 66 10.863 -2.645 0.852 501 1HB LEU 66 HB2 LEU 66 13.208 -2.955 -0.885 502 2HB LEU 66 HB1 LEU 66 13.638 -2.824 0.818 503 HG LEU 66 HG LEU 66 13.210 -5.185 0.076 504 1HD1 LEU 66 HD12 LEU 66 12.476 -3.983 2.433 505 2HD1 LEU 66 HD11 LEU 66 10.958 -4.717 1.928 506 3HD1 LEU 66 HD13 LEU 66 12.393 -5.717 2.134 507 1HD2 LEU 66 HD23 LEU 66 11.120 -4.078 -1.320 508 2HD2 LEU 66 HD22 LEU 66 11.286 -5.798 -0.973 509 3HD2 LEU 66 HD21 LEU 66 10.288 -4.782 0.064 510 H GLU 67 HN GLU 67 13.504 -0.410 -0.112 511 HA GLU 67 HA GLU 67 13.863 0.678 2.502 512 1HB GLU 67 HB2 GLU 67 15.354 0.931 0.388 513 2HB GLU 67 HB1 GLU 67 14.293 2.280 -0.018 514 1HG GLU 67 HG2 GLU 67 14.778 2.928 2.533 515 2HG GLU 67 HG1 GLU 67 16.255 2.019 2.215 516 H LEU 68 HN LEU 68 11.319 0.976 0.304 517 HA LEU 68 HA LEU 68 10.441 3.660 0.942 518 1HB LEU 68 HB2 LEU 68 9.745 1.629 -0.862 519 2HB LEU 68 HB1 LEU 68 8.335 1.783 0.157 520 HG LEU 68 HG LEU 68 9.354 4.384 -0.747 521 1HD1 LEU 68 HD12 LEU 68 8.591 2.248 -2.746 522 2HD1 LEU 68 HD11 LEU 68 8.365 3.952 -3.091 523 3HD1 LEU 68 HD13 LEU 68 9.985 3.329 -2.786 524 1HD2 LEU 68 HD23 LEU 68 7.120 3.784 0.331 525 2HD2 LEU 68 HD22 LEU 68 7.026 4.772 -1.129 526 3HD2 LEU 68 HD21 LEU 68 6.687 3.043 -1.210 527 H LEU 69 HN LEU 69 9.489 0.400 2.031 528 HA LEU 69 HA LEU 69 7.701 1.538 4.062 529 1HB LEU 69 HB2 LEU 69 6.724 -0.486 3.974 530 2HB LEU 69 HB1 LEU 69 7.837 -0.873 2.676 531 HG LEU 69 HG LEU 69 9.497 -1.620 4.486 532 1HD1 LEU 69 HD13 LEU 69 7.236 -0.774 6.163 533 2HD1 LEU 69 HD12 LEU 69 7.677 -2.454 6.459 534 3HD1 LEU 69 HD11 LEU 69 8.878 -1.184 6.641 535 1HD2 LEU 69 HD22 LEU 69 7.132 -2.959 3.421 536 2HD2 LEU 69 HD21 LEU 69 8.773 -3.566 3.612 537 3HD2 LEU 69 HD23 LEU 69 7.643 -3.653 4.961 538 H LYS 70 HN LYS 70 10.938 0.218 3.862 539 HA LYS 70 HA LYS 70 11.397 -0.219 6.647 540 1HB LYS 70 HB2 LYS 70 12.887 -0.792 4.568 541 2HB LYS 70 HB1 LYS 70 13.542 0.827 4.813 542 1HG LYS 70 HG2 LYS 70 13.814 0.096 7.296 543 2HG LYS 70 HG1 LYS 70 13.653 -1.544 6.665 544 1HD LYS 70 HD2 LYS 70 15.493 -0.997 5.020 545 2HD LYS 70 HD1 LYS 70 15.734 0.517 5.892 546 1HE LYS 70 HE2 LYS 70 16.297 -0.657 7.923 547 2HE LYS 70 HE1 LYS 70 15.838 -2.206 7.215 548 1HZ LYS 70 HZ3 LYS 70 17.997 -0.483 6.137 549 2HZ LYS 70 HZ2 LYS 70 18.267 -1.755 7.230 550 3HZ LYS 70 HZ1 LYS 70 17.632 -2.077 5.687 551 H THR 71 HN THR 71 11.727 2.678 4.612 552 HA THR 71 HA THR 71 12.816 4.342 6.701 553 HB THR 71 HB THR 71 11.254 5.123 4.218 554 HG1 THR 71 HG1 THR 71 13.016 4.548 3.268 555 1HG2 THR 71 HG23 THR 71 12.842 6.666 6.257 556 2HG2 THR 71 HG22 THR 71 12.700 7.253 4.600 557 3HG2 THR 71 HG21 THR 71 11.253 7.033 5.584 558 H ILE 72 HN ILE 72 9.522 3.729 5.510 559 HA ILE 72 HA ILE 72 8.237 5.622 7.256 560 HB ILE 72 HB ILE 72 7.160 3.080 5.985 561 1HG1 ILE 72 HG12 ILE 72 6.839 5.967 5.114 562 2HG1 ILE 72 HG11 ILE 72 8.056 4.882 4.443 563 1HG2 ILE 72 HG22 ILE 72 5.788 5.420 7.335 564 2HG2 ILE 72 HG21 ILE 72 4.946 4.252 6.317 565 3HG2 ILE 72 HG23 ILE 72 5.720 3.724 7.812 566 1HD1 ILE 72 HD12 ILE 72 5.063 4.380 4.412 567 2HD1 ILE 72 HD11 ILE 72 6.012 4.939 3.036 568 3HD1 ILE 72 HD13 ILE 72 6.292 3.333 3.706 569 NH1 ARG 73 NH1 ARG 73 7.597 -3.986 12.020 570 NH2 ARG 73 NH2 ARG 73 9.639 -4.915 11.743 571 H ARG 73 HN ARG 73 9.368 2.329 7.641 572 HA ARG 73 HA ARG 73 8.022 2.046 10.254 573 1HB ARG 73 HB2 ARG 73 8.252 0.113 8.658 574 2HB ARG 73 HB1 ARG 73 9.997 0.175 8.919 575 1HG ARG 73 HG2 ARG 73 9.624 -0.150 11.353 576 2HG ARG 73 HG1 ARG 73 7.892 -0.280 11.054 577 1HD ARG 73 HD2 ARG 73 8.115 -2.319 9.907 578 2HD ARG 73 HD1 ARG 73 9.830 -2.061 9.591 579 HE ARG 73 HE ARG 73 9.988 -2.278 12.217 580 1HH1 ARG 73 HH11 ARG 73 7.010 -3.177 12.044 581 2HH1 ARG 73 HH12 ARG 73 7.208 -4.893 12.185 582 1HH2 ARG 73 HH21 ARG 73 10.616 -4.818 11.554 583 2HH2 ARG 73 HH22 ARG 73 9.248 -5.821 11.907 584 H ALA 74 HN ALA 74 11.124 2.935 8.949 585 HA ALA 74 HA ALA 74 12.907 2.355 11.006 586 1HB ALA 74 HB2 ALA 74 12.644 4.734 9.182 587 2HB ALA 74 HB1 ALA 74 13.899 4.705 10.419 588 3HB ALA 74 HB3 ALA 74 13.862 3.460 9.171 589 H ASP 75 HN ASP 75 10.293 4.688 11.011 590 HA ASP 75 HA ASP 75 11.201 5.888 13.547 591 1HB ASP 75 HB2 ASP 75 9.590 6.755 11.426 592 2HB ASP 75 HB1 ASP 75 8.470 6.519 12.767 593 H GLY 76 HN GLY 76 10.492 5.226 15.533 594 1HA GLY 76 HA2 GLY 76 8.946 2.793 15.768 595 2HA GLY 76 HA1 GLY 76 9.469 3.811 17.111 596 H ALA 77 HN ALA 77 8.151 6.181 15.726 597 HA ALA 77 HA ALA 77 5.469 5.698 16.876 598 1HB ALA 77 HB1 ALA 77 7.095 7.854 17.039 599 2HB ALA 77 HB3 ALA 77 6.131 8.317 15.637 600 3HB ALA 77 HB2 ALA 77 5.340 7.967 17.174 601 H MET 78 HN MET 78 7.021 6.179 13.771 602 HA MET 78 HA MET 78 4.408 6.446 12.408 603 1HB MET 78 HB2 MET 78 6.666 7.665 11.800 604 2HB MET 78 HB1 MET 78 7.020 6.156 10.957 605 1HG MET 78 HG2 MET 78 5.950 7.587 9.358 606 2HG MET 78 HG1 MET 78 4.748 6.387 9.837 607 1HE MET 78 HE2 MET 78 6.269 9.807 10.918 608 2HE MET 78 HE1 MET 78 5.557 9.968 9.315 609 3HE MET 78 HE3 MET 78 4.878 10.861 10.682 610 H SER 79 HN SER 79 5.997 3.932 13.699 611 HA SER 79 HA SER 79 6.051 2.048 11.500 612 1HB SER 79 HB2 SER 79 7.283 1.874 13.759 613 2HB SER 79 HB1 SER 79 5.746 1.320 14.416 614 HG SER 79 HG SER 79 7.293 -0.311 13.552 615 H ALA 80 HN ALA 80 3.508 3.655 12.439 616 HA ALA 80 HA ALA 80 1.647 1.352 12.712 617 1HB ALA 80 HB2 ALA 80 1.384 4.318 13.181 618 2HB ALA 80 HB1 ALA 80 -0.038 3.284 13.048 619 3HB ALA 80 HB3 ALA 80 1.142 3.000 14.328 620 H LEU 81 HN LEU 81 2.393 4.108 10.625 621 HA LEU 81 HA LEU 81 0.355 4.278 8.841 622 1HB LEU 81 HB2 LEU 81 3.098 4.855 8.776 623 2HB LEU 81 HB1 LEU 81 2.787 3.929 7.311 624 HG LEU 81 HG LEU 81 2.450 6.301 6.854 625 1HD1 LEU 81 HD12 LEU 81 0.659 4.303 6.268 626 2HD1 LEU 81 HD11 LEU 81 -0.387 5.523 6.995 627 3HD1 LEU 81 HD13 LEU 81 0.602 5.931 5.593 628 1HD2 LEU 81 HD23 LEU 81 1.390 6.308 9.490 629 2HD2 LEU 81 HD22 LEU 81 1.601 7.688 8.410 630 3HD2 LEU 81 HD21 LEU 81 0.082 6.792 8.412 631 HA PRO 82 HA PRO 82 0.119 -0.197 7.854 632 1HB PRO 82 HB2 PRO 82 -2.337 0.272 6.429 633 2HB PRO 82 HB1 PRO 82 -2.119 -0.515 7.992 634 1HG PRO 82 HG2 PRO 82 -3.258 2.065 7.495 635 2HG PRO 82 HG1 PRO 82 -2.966 1.300 9.064 636 1HD PRO 82 HD2 PRO 82 -1.523 3.492 7.830 637 2HD PRO 82 HD1 PRO 82 -1.321 2.815 9.457 638 H VAL 83 HN VAL 83 1.810 -0.217 6.280 639 HA VAL 83 HA VAL 83 1.121 0.742 3.535 640 HB VAL 83 HB VAL 83 3.690 0.108 4.945 641 1HG1 VAL 83 HG11 VAL 83 3.135 -0.421 2.009 642 2HG1 VAL 83 HG13 VAL 83 4.722 0.128 2.529 643 3HG1 VAL 83 HG12 VAL 83 4.085 -1.388 3.141 644 1HG2 VAL 83 HG22 VAL 83 2.571 2.408 4.267 645 2HG2 VAL 83 HG21 VAL 83 4.315 2.181 4.182 646 3HG2 VAL 83 HG23 VAL 83 3.346 2.053 2.718 647 H LEU 84 HN LEU 84 -0.098 -0.864 2.548 648 HA LEU 84 HA LEU 84 0.824 -3.623 3.046 649 1HB LEU 84 HB2 LEU 84 -1.630 -3.174 3.218 650 2HB LEU 84 HB1 LEU 84 -1.631 -2.666 1.538 651 HG LEU 84 HG LEU 84 -1.486 -4.831 0.735 652 1HD1 LEU 84 HD13 LEU 84 -0.141 -5.645 3.336 653 2HD1 LEU 84 HD12 LEU 84 -0.565 -6.762 2.043 654 3HD1 LEU 84 HD11 LEU 84 0.629 -5.505 1.751 655 1HD2 LEU 84 HD21 LEU 84 -3.439 -4.490 2.420 656 2HD2 LEU 84 HD23 LEU 84 -3.087 -6.124 1.861 657 3HD2 LEU 84 HD22 LEU 84 -2.531 -5.599 3.447 658 H MET 85 HN MET 85 2.562 -4.042 1.804 659 HA MET 85 HA MET 85 3.054 -2.722 -0.669 660 1HB MET 85 HB2 MET 85 4.799 -3.866 0.724 661 2HB MET 85 HB1 MET 85 4.135 -5.420 0.222 662 1HG MET 85 HG2 MET 85 5.126 -5.305 -1.817 663 2HG MET 85 HG1 MET 85 4.684 -3.615 -2.035 664 1HE MET 85 HE1 MET 85 5.512 -1.903 -0.381 665 2HE MET 85 HE3 MET 85 7.242 -1.617 -0.153 666 3HE MET 85 HE2 MET 85 6.549 -1.598 -1.773 667 H VAL 86 HN VAL 86 3.105 -3.809 -2.842 668 HA VAL 86 HA VAL 86 0.990 -5.898 -3.131 669 HB VAL 86 HB VAL 86 1.263 -3.403 -4.828 670 1HG1 VAL 86 HG12 VAL 86 -0.603 -5.759 -4.804 671 2HG1 VAL 86 HG11 VAL 86 -1.150 -4.197 -5.411 672 3HG1 VAL 86 HG13 VAL 86 0.224 -5.002 -6.167 673 1HG2 VAL 86 HG23 VAL 86 -0.254 -3.995 -2.334 674 2HG2 VAL 86 HG22 VAL 86 0.376 -2.460 -2.931 675 3HG2 VAL 86 HG21 VAL 86 -1.119 -3.118 -3.597 676 H THR 87 HN THR 87 1.463 -7.466 -4.688 677 HA THR 87 HA THR 87 3.538 -6.837 -6.710 678 HB THR 87 HB THR 87 4.941 -7.627 -4.914 679 HG1 THR 87 HG1 THR 87 5.640 -8.514 -6.759 680 1HG2 THR 87 HG21 THR 87 2.647 -9.210 -4.299 681 2HG2 THR 87 HG23 THR 87 4.015 -10.296 -4.534 682 3HG2 THR 87 HG22 THR 87 4.113 -8.997 -3.345 683 H ALA 88 HN ALA 88 3.618 -8.439 -8.424 684 HA ALA 88 HA ALA 88 1.054 -9.941 -8.655 685 1HB ALA 88 HB3 ALA 88 2.620 -8.347 -10.469 686 2HB ALA 88 HB2 ALA 88 2.487 -9.987 -11.103 687 3HB ALA 88 HB1 ALA 88 1.030 -9.065 -10.728 688 H GLU 89 HN GLU 89 4.552 -10.312 -8.708 689 HA GLU 89 HA GLU 89 4.434 -13.108 -9.560 690 1HB GLU 89 HB2 GLU 89 6.397 -11.278 -9.697 691 2HB GLU 89 HB1 GLU 89 6.838 -12.033 -8.165 692 1HG GLU 89 HG2 GLU 89 7.991 -13.309 -9.792 693 2HG GLU 89 HG1 GLU 89 6.570 -14.279 -9.404 694 H ALA 90 HN ALA 90 5.567 -11.563 -6.525 695 HA ALA 90 HA ALA 90 5.683 -12.468 -4.357 696 1HB ALA 90 HB1 ALA 90 3.035 -12.313 -5.196 697 2HB ALA 90 HB3 ALA 90 3.167 -13.957 -4.576 698 3HB ALA 90 HB2 ALA 90 3.572 -12.590 -3.540 699 H LYS 91 HN LYS 91 6.867 -14.074 -6.486 700 HA LYS 91 HA LYS 91 6.295 -16.782 -6.556 701 1HB LYS 91 HB2 LYS 91 8.490 -15.196 -7.227 702 2HB LYS 91 HB1 LYS 91 9.145 -16.368 -6.084 703 1HG LYS 91 HG2 LYS 91 8.131 -18.204 -7.411 704 2HG LYS 91 HG1 LYS 91 7.543 -17.017 -8.577 705 1HD LYS 91 HD2 LYS 91 9.841 -16.319 -9.066 706 2HD LYS 91 HD1 LYS 91 10.458 -17.440 -7.853 707 1HE LYS 91 HE2 LYS 91 9.898 -19.329 -9.126 708 2HE LYS 91 HE1 LYS 91 8.717 -18.445 -10.093 709 1HZ LYS 91 HZ3 LYS 91 11.618 -17.847 -10.162 710 2HZ LYS 91 HZ2 LYS 91 10.885 -18.963 -11.214 711 3HZ LYS 91 HZ1 LYS 91 10.421 -17.329 -11.247 712 H LYS 92 HN LYS 92 8.703 -15.485 -4.240 713 HA LYS 92 HA LYS 92 7.483 -16.837 -1.985 714 1HB LYS 92 HB2 LYS 92 8.450 -18.796 -3.139 715 2HB LYS 92 HB1 LYS 92 10.032 -18.016 -3.134 716 1HG LYS 92 HG2 LYS 92 10.168 -18.092 -0.747 717 2HG LYS 92 HG1 LYS 92 8.468 -18.541 -0.599 718 1HD LYS 92 HD2 LYS 92 8.852 -20.736 -1.167 719 2HD LYS 92 HD1 LYS 92 10.196 -20.331 -2.236 720 1HE LYS 92 HE2 LYS 92 11.688 -20.014 -0.386 721 2HE LYS 92 HE1 LYS 92 10.361 -20.078 0.775 722 1HZ LYS 92 HZ2 LYS 92 10.002 -22.405 -0.351 723 2HZ LYS 92 HZ1 LYS 92 11.659 -22.251 -0.692 724 3HZ LYS 92 HZ3 LYS 92 11.118 -22.203 0.914 725 H GLU 93 HN GLU 93 10.956 -16.496 -2.644 726 HA GLU 93 HA GLU 93 11.530 -15.136 -0.255 727 1HB GLU 93 HB2 GLU 93 13.669 -14.556 -1.273 728 2HB GLU 93 HB1 GLU 93 13.231 -16.199 -1.740 729 1HG GLU 93 HG2 GLU 93 13.565 -15.519 -3.871 730 2HG GLU 93 HG1 GLU 93 12.038 -14.651 -3.707 731 H ASN 94 HN ASN 94 9.899 -13.985 -3.020 732 HA ASN 94 HA ASN 94 10.677 -11.179 -2.672 733 1HB ASN 94 HB2 ASN 94 8.806 -12.681 -4.471 734 2HB ASN 94 HB1 ASN 94 8.616 -10.940 -4.297 735 1HD2 ASN 94 HD22 ASN 94 12.032 -12.394 -6.069 736 2HD2 ASN 94 HD21 ASN 94 11.130 -13.407 -5.047 737 H ILE 95 HN ILE 95 8.250 -13.331 -1.427 738 HA ILE 95 HA ILE 95 6.418 -11.192 -0.632 739 HB ILE 95 HB ILE 95 6.607 -14.130 0.089 740 1HG1 ILE 95 HG12 ILE 95 4.456 -12.581 -1.380 741 2HG1 ILE 95 HG11 ILE 95 5.797 -13.378 -2.203 742 1HG2 ILE 95 HG23 ILE 95 4.787 -11.950 1.117 743 2HG2 ILE 95 HG22 ILE 95 4.274 -13.636 1.097 744 3HG2 ILE 95 HG21 ILE 95 5.681 -13.152 2.042 745 1HD1 ILE 95 HD11 ILE 95 5.126 -15.534 -1.169 746 2HD1 ILE 95 HD13 ILE 95 3.753 -14.724 -0.413 747 3HD1 ILE 95 HD12 ILE 95 3.842 -14.857 -2.169 748 H ILE 96 HN ILE 96 8.723 -13.339 1.059 749 HA ILE 96 HA ILE 96 8.424 -12.087 3.617 750 HB ILE 96 HB ILE 96 10.649 -13.705 2.359 751 1HG1 ILE 96 HG12 ILE 96 9.930 -15.327 4.135 752 2HG1 ILE 96 HG11 ILE 96 8.642 -14.210 4.582 753 1HG2 ILE 96 HG23 ILE 96 10.559 -12.269 5.003 754 2HG2 ILE 96 HG22 ILE 96 11.462 -13.775 4.836 755 3HG2 ILE 96 HG21 ILE 96 11.886 -12.378 3.846 756 1HD1 ILE 96 HD11 ILE 96 8.932 -15.144 1.732 757 2HD1 ILE 96 HD13 ILE 96 8.084 -16.133 2.920 758 3HD1 ILE 96 HD12 ILE 96 7.505 -14.511 2.548 759 H ALA 97 HN ALA 97 10.014 -11.102 0.715 760 HA ALA 97 HA ALA 97 12.055 -9.439 1.791 761 1HB ALA 97 HB2 ALA 97 10.596 -9.615 -0.782 762 2HB ALA 97 HB1 ALA 97 11.375 -8.073 -0.434 763 3HB ALA 97 HB3 ALA 97 12.329 -9.553 -0.475 764 H ALA 98 HN ALA 98 8.805 -8.421 0.659 765 HA ALA 98 HA ALA 98 8.911 -5.784 1.663 766 1HB ALA 98 HB3 ALA 98 6.878 -7.464 0.632 767 2HB ALA 98 HB2 ALA 98 6.302 -6.885 2.195 768 3HB ALA 98 HB1 ALA 98 6.775 -5.732 0.949 769 H ALA 99 HN ALA 99 7.604 -8.683 3.258 770 HA ALA 99 HA ALA 99 7.172 -7.366 5.726 771 1HB ALA 99 HB1 ALA 99 7.500 -10.298 5.043 772 2HB ALA 99 HB3 ALA 99 7.064 -9.726 6.653 773 3HB ALA 99 HB2 ALA 99 5.993 -9.416 5.287 774 H GLN 100 HN GLN 100 10.073 -8.632 4.260 775 HA GLN 100 HA GLN 100 11.629 -9.336 6.510 776 1HB GLN 100 HB2 GLN 100 12.431 -9.355 4.090 777 2HB GLN 100 HB1 GLN 100 12.645 -7.610 4.225 778 1HG GLN 100 HG2 GLN 100 14.682 -7.999 5.098 779 2HG GLN 100 HG1 GLN 100 13.882 -8.693 6.508 780 1HE2 GLN 100 HE22 GLN 100 14.181 -12.094 5.162 781 2HE2 GLN 100 HE21 GLN 100 12.999 -11.110 5.881 782 H ALA 101 HN ALA 101 10.468 -6.308 5.328 783 HA ALA 101 HA ALA 101 11.878 -4.773 7.435 784 1HB ALA 101 HB3 ALA 101 10.658 -4.181 4.847 785 2HB ALA 101 HB2 ALA 101 10.059 -3.114 6.111 786 3HB ALA 101 HB1 ALA 101 11.786 -3.205 5.789 787 H GLY 102 HN GLY 102 8.855 -6.198 6.544 788 1HA GLY 102 HA2 GLY 102 6.994 -6.692 7.865 789 2HA GLY 102 HA1 GLY 102 7.834 -5.948 9.205 790 H ALA 103 HN ALA 103 6.032 -4.997 6.185 791 HA ALA 103 HA ALA 103 5.501 -2.388 7.520 792 1HB ALA 103 HB3 ALA 103 4.750 -3.627 4.866 793 2HB ALA 103 HB2 ALA 103 4.097 -2.082 5.396 794 3HB ALA 103 HB1 ALA 103 5.795 -2.258 5.149 795 H SER 104 HN SER 104 2.960 -3.296 5.664 796 HA SER 104 HA SER 104 1.248 -3.887 8.027 797 1HB SER 104 HB2 SER 104 -0.520 -3.039 6.884 798 2HB SER 104 HB1 SER 104 0.717 -2.283 5.896 799 HG SER 104 HG SER 104 -0.430 -4.839 5.428 800 H GLY 105 HN GLY 105 2.010 -5.095 4.833 801 1HA GLY 105 HA2 GLY 105 2.304 -7.812 5.432 802 2HA GLY 105 HA1 GLY 105 0.602 -7.591 5.073 803 OH TYR 106 OH TYR 106 1.231 -13.495 -2.470 804 H TYR 106 HN TYR 106 1.025 -8.983 3.186 805 HA TYR 106 HA TYR 106 1.961 -7.362 0.868 806 1HB TYR 106 HB2 TYR 106 3.719 -8.720 0.499 807 2HB TYR 106 HB1 TYR 106 3.285 -9.701 1.899 808 HD1 TYR 106 HD2 TYR 106 2.434 -9.166 -1.725 809 HD2 TYR 106 HD1 TYR 106 2.410 -11.874 1.612 810 HE1 TYR 106 HE2 TYR 106 1.704 -11.005 -3.204 811 HE2 TYR 106 HE1 TYR 106 1.674 -13.706 0.123 812 HH TYR 106 HH TYR 106 1.630 -13.354 -3.332 813 H VAL 107 HN VAL 107 0.386 -7.334 -0.632 814 HA VAL 107 HA VAL 107 -1.602 -9.575 -0.661 815 HB VAL 107 HB VAL 107 -2.479 -7.277 -0.078 816 1HG1 VAL 107 HG13 VAL 107 -0.833 -6.180 -1.723 817 2HG1 VAL 107 HG12 VAL 107 -1.977 -6.633 -2.985 818 3HG1 VAL 107 HG11 VAL 107 -2.475 -5.541 -1.693 819 1HG2 VAL 107 HG23 VAL 107 -3.398 -8.682 -2.599 820 2HG2 VAL 107 HG22 VAL 107 -4.039 -8.864 -0.968 821 3HG2 VAL 107 HG21 VAL 107 -4.306 -7.365 -1.858 822 H VAL 108 HN VAL 108 -1.676 -10.758 -2.528 823 HA VAL 108 HA VAL 108 0.176 -10.005 -4.673 824 HB VAL 108 HB VAL 108 0.193 -12.334 -4.326 825 1HG1 VAL 108 HG13 VAL 108 -2.783 -12.018 -3.950 826 2HG1 VAL 108 HG12 VAL 108 -2.057 -13.602 -4.223 827 3HG1 VAL 108 HG11 VAL 108 -1.594 -12.651 -2.812 828 1HG2 VAL 108 HG22 VAL 108 -0.412 -11.554 -6.744 829 2HG2 VAL 108 HG21 VAL 108 -0.561 -13.266 -6.346 830 3HG2 VAL 108 HG23 VAL 108 -1.997 -12.244 -6.391 831 H LYS 109 HN LYS 109 -0.473 -8.813 -6.421 832 HA LYS 109 HA LYS 109 -3.373 -8.386 -6.846 833 1HB LYS 109 HB2 LYS 109 -2.772 -6.276 -7.421 834 2HB LYS 109 HB1 LYS 109 -1.168 -6.700 -6.857 835 1HG LYS 109 HG2 LYS 109 -0.600 -7.506 -9.157 836 2HG LYS 109 HG1 LYS 109 -2.175 -6.924 -9.709 837 1HD LYS 109 HD2 LYS 109 -1.421 -4.677 -8.580 838 2HD LYS 109 HD1 LYS 109 0.198 -5.354 -8.759 839 1HE LYS 109 HE2 LYS 109 -0.072 -4.209 -10.782 840 2HE LYS 109 HE1 LYS 109 -0.567 -5.844 -11.218 841 1HZ LYS 109 HZ2 LYS 109 -2.477 -3.776 -10.291 842 2HZ LYS 109 HZ1 LYS 109 -2.106 -4.019 -11.932 843 3HZ LYS 109 HZ3 LYS 109 -2.830 -5.263 -11.034 844 HA PRO 110 HA PRO 110 -4.316 -7.204 -8.828 845 1HB PRO 110 HB2 PRO 110 -6.392 -8.502 -10.313 846 2HB PRO 110 HB1 PRO 110 -5.415 -7.114 -10.813 847 1HG PRO 110 HG2 PRO 110 -5.306 -9.749 -11.893 848 2HG PRO 110 HG1 PRO 110 -4.210 -8.409 -12.253 849 1HD PRO 110 HD2 PRO 110 -3.730 -10.782 -10.593 850 2HD PRO 110 HD1 PRO 110 -2.561 -9.606 -11.227 851 H PHE 111 HN PHE 111 -5.562 -7.171 -6.959 852 HA PHE 111 HA PHE 111 -6.703 -9.744 -5.991 853 1HB PHE 111 HB2 PHE 111 -7.248 -8.215 -3.941 854 2HB PHE 111 HB1 PHE 111 -5.582 -8.726 -4.193 855 HD1 PHE 111 HD2 PHE 111 -7.972 -5.962 -5.105 856 HD2 PHE 111 HD1 PHE 111 -3.922 -7.102 -4.246 857 HE1 PHE 111 HE2 PHE 111 -7.254 -3.605 -5.321 858 HE2 PHE 111 HE1 PHE 111 -3.213 -4.738 -4.444 859 HZ PHE 111 HZ PHE 111 -4.879 -2.986 -4.985 860 H THR 112 HN THR 112 -8.874 -9.650 -5.038 861 HA THR 112 HA THR 112 -10.701 -7.949 -6.666 862 HB THR 112 HB THR 112 -11.792 -10.039 -4.855 863 HG1 THR 112 HG1 THR 112 -9.992 -10.540 -6.934 864 1HG2 THR 112 HG23 THR 112 -13.159 -8.696 -6.444 865 2HG2 THR 112 HG22 THR 112 -12.249 -9.399 -7.781 866 3HG2 THR 112 HG21 THR 112 -13.261 -10.426 -6.766 867 H ALA 113 HN ALA 113 -12.207 -6.592 -5.499 868 HA ALA 113 HA ALA 113 -11.263 -5.362 -3.177 869 1HB ALA 113 HB3 ALA 113 -13.360 -4.838 -4.754 870 2HB ALA 113 HB2 ALA 113 -14.235 -5.655 -3.458 871 3HB ALA 113 HB1 ALA 113 -13.284 -4.212 -3.106 872 H ALA 114 HN ALA 114 -12.774 -8.442 -3.493 873 HA ALA 114 HA ALA 114 -13.467 -8.604 -0.646 874 1HB ALA 114 HB3 ALA 114 -14.011 -10.157 -3.026 875 2HB ALA 114 HB2 ALA 114 -13.358 -11.204 -1.766 876 3HB ALA 114 HB1 ALA 114 -14.803 -10.242 -1.453 877 H THR 115 HN THR 115 -10.863 -9.560 -2.810 878 HA THR 115 HA THR 115 -9.494 -11.107 -0.762 879 HB THR 115 HB THR 115 -7.722 -10.149 -2.831 880 HG1 THR 115 HG1 THR 115 -10.308 -10.974 -3.529 881 1HG2 THR 115 HG23 THR 115 -7.511 -12.245 -1.515 882 2HG2 THR 115 HG22 THR 115 -8.953 -12.866 -2.318 883 3HG2 THR 115 HG21 THR 115 -7.493 -12.543 -3.254 884 H LEU 116 HN LEU 116 -8.692 -7.876 -2.325 885 HA LEU 116 HA LEU 116 -6.686 -7.239 -0.451 886 1HB LEU 116 HB2 LEU 116 -8.063 -5.842 -2.468 887 2HB LEU 116 HB1 LEU 116 -8.390 -4.925 -1.003 888 HG LEU 116 HG LEU 116 -5.709 -5.541 -2.263 889 1HD1 LEU 116 HD13 LEU 116 -7.217 -3.476 -2.761 890 2HD1 LEU 116 HD12 LEU 116 -6.692 -2.915 -1.182 891 3HD1 LEU 116 HD11 LEU 116 -5.506 -3.215 -2.450 892 1HD2 LEU 116 HD23 LEU 116 -6.348 -5.080 0.587 893 2HD2 LEU 116 HD22 LEU 116 -4.906 -5.790 -0.140 894 3HD2 LEU 116 HD21 LEU 116 -5.092 -4.039 -0.071 895 H GLU 117 HN GLU 117 -10.231 -6.958 -0.185 896 HA GLU 117 HA GLU 117 -10.359 -5.554 2.253 897 1HB GLU 117 HB2 GLU 117 -12.412 -5.874 1.134 898 2HB GLU 117 HB1 GLU 117 -12.150 -7.611 0.989 899 1HG GLU 117 HG2 GLU 117 -12.657 -8.013 3.239 900 2HG GLU 117 HG1 GLU 117 -12.338 -6.344 3.707 901 H GLU 118 HN GLU 118 -10.502 -9.090 1.799 902 HA GLU 118 HA GLU 118 -10.491 -9.925 4.443 903 1HB GLU 118 HB2 GLU 118 -9.840 -11.097 1.919 904 2HB GLU 118 HB1 GLU 118 -8.587 -11.560 3.071 905 1HG GLU 118 HG2 GLU 118 -10.344 -12.293 4.664 906 2HG GLU 118 HG1 GLU 118 -11.577 -11.881 3.472 907 H LYS 119 HN LYS 119 -7.713 -8.791 2.548 908 HA LYS 119 HA LYS 119 -5.782 -9.307 4.646 909 1HB LYS 119 HB2 LYS 119 -5.786 -8.217 1.953 910 2HB LYS 119 HB1 LYS 119 -4.789 -7.236 3.028 911 1HG LYS 119 HG2 LYS 119 -3.458 -9.050 2.023 912 2HG LYS 119 HG1 LYS 119 -3.591 -9.266 3.769 913 1HD LYS 119 HD2 LYS 119 -4.648 -11.240 3.518 914 2HD LYS 119 HD1 LYS 119 -5.813 -10.534 2.396 915 1HE LYS 119 HE2 LYS 119 -4.311 -10.842 0.531 916 2HE LYS 119 HE1 LYS 119 -2.999 -11.329 1.605 917 1HZ LYS 119 HZ3 LYS 119 -5.566 -12.797 1.470 918 2HZ LYS 119 HZ2 LYS 119 -4.251 -13.172 0.461 919 3HZ LYS 119 HZ1 LYS 119 -4.099 -13.313 2.147 920 H LEU 120 HN LEU 120 -7.921 -6.648 3.830 921 HA LEU 120 HA LEU 120 -6.607 -4.702 5.529 922 1HB LEU 120 HB2 LEU 120 -8.369 -4.380 3.577 923 2HB LEU 120 HB1 LEU 120 -9.539 -4.560 4.881 924 HG LEU 120 HG LEU 120 -7.749 -2.782 5.985 925 1HD1 LEU 120 HD13 LEU 120 -6.605 -2.678 3.739 926 2HD1 LEU 120 HD12 LEU 120 -8.097 -2.014 3.075 927 3HD1 LEU 120 HD11 LEU 120 -7.210 -1.123 4.311 928 1HD2 LEU 120 HD22 LEU 120 -10.212 -2.204 4.311 929 2HD2 LEU 120 HD21 LEU 120 -10.187 -2.576 6.036 930 3HD2 LEU 120 HD23 LEU 120 -9.477 -1.072 5.448 931 H ASN 121 HN ASN 121 -9.456 -6.808 5.909 932 HA ASN 121 HA ASN 121 -10.222 -5.947 8.493 933 1HB ASN 121 HB2 ASN 121 -10.620 -8.394 6.861 934 2HB ASN 121 HB1 ASN 121 -10.877 -8.568 8.597 935 1HD2 ASN 121 HD22 ASN 121 -13.591 -6.127 8.606 936 2HD2 ASN 121 HD21 ASN 121 -12.229 -6.550 9.528 937 H LYS 122 HN LYS 122 -7.922 -8.493 7.550 938 HA LYS 122 HA LYS 122 -7.290 -9.370 10.183 939 1HB LYS 122 HB2 LYS 122 -6.165 -9.668 7.495 940 2HB LYS 122 HB1 LYS 122 -4.934 -9.672 8.758 941 1HG LYS 122 HG2 LYS 122 -6.132 -11.438 9.961 942 2HG LYS 122 HG1 LYS 122 -7.421 -11.407 8.757 943 1HD LYS 122 HD2 LYS 122 -4.670 -11.772 7.704 944 2HD LYS 122 HD1 LYS 122 -5.332 -13.122 8.627 945 1HE LYS 122 HE2 LYS 122 -6.914 -11.781 6.433 946 2HE LYS 122 HE1 LYS 122 -5.797 -13.104 6.094 947 1HZ LYS 122 HZ3 LYS 122 -7.354 -13.829 8.294 948 2HZ LYS 122 HZ2 LYS 122 -8.410 -13.247 7.096 949 3HZ LYS 122 HZ1 LYS 122 -7.344 -14.523 6.747 950 H ILE 123 HN ILE 123 -5.748 -6.896 8.143 951 HA ILE 123 HA ILE 123 -3.768 -6.156 10.111 952 HB ILE 123 HB ILE 123 -4.906 -4.681 7.719 953 1HG1 ILE 123 HG12 ILE 123 -2.220 -6.034 8.072 954 2HG1 ILE 123 HG11 ILE 123 -3.624 -6.853 7.387 955 1HG2 ILE 123 HG23 ILE 123 -3.158 -3.737 9.847 956 2HG2 ILE 123 HG22 ILE 123 -2.330 -3.723 8.295 957 3HG2 ILE 123 HG21 ILE 123 -3.841 -2.846 8.488 958 1HD1 ILE 123 HD13 ILE 123 -2.639 -4.214 6.297 959 2HD1 ILE 123 HD12 ILE 123 -1.998 -5.754 5.725 960 3HD1 ILE 123 HD11 ILE 123 -3.711 -5.383 5.525 961 H PHE 124 HN PHE 124 -7.044 -5.067 9.393 962 HA PHE 124 HA PHE 124 -6.845 -2.893 11.364 963 1HB PHE 124 HB2 PHE 124 -8.903 -3.810 9.385 964 2HB PHE 124 HB1 PHE 124 -9.391 -2.776 10.720 965 HD1 PHE 124 HD1 PHE 124 -5.959 -2.522 9.286 966 HD2 PHE 124 HD2 PHE 124 -9.955 -0.951 9.255 967 HE1 PHE 124 HE1 PHE 124 -5.161 -0.512 8.092 968 HE2 PHE 124 HE2 PHE 124 -9.149 1.056 8.042 969 HZ PHE 124 HZ PHE 124 -6.776 1.260 7.475 970 H GLU 125 HN GLU 125 -7.452 -6.195 11.482 971 HA GLU 125 HA GLU 125 -9.515 -6.169 13.528 972 1HB GLU 125 HB2 GLU 125 -7.818 -8.171 12.199 973 2HB GLU 125 HB1 GLU 125 -8.079 -8.513 13.910 974 1HG GLU 125 HG2 GLU 125 -10.498 -8.367 13.610 975 2HG GLU 125 HG1 GLU 125 -10.285 -7.911 11.919 976 H LYS 126 HN LYS 126 -6.057 -5.855 13.400 977 HA LYS 126 HA LYS 126 -5.824 -5.970 16.355 978 1HB LYS 126 HB2 LYS 126 -3.701 -5.503 14.232 979 2HB LYS 126 HB1 LYS 126 -3.407 -5.777 15.949 980 1HG LYS 126 HG2 LYS 126 -4.185 -8.024 15.832 981 2HG LYS 126 HG1 LYS 126 -4.908 -7.769 14.243 982 1HD LYS 126 HD2 LYS 126 -2.945 -8.123 13.166 983 2HD LYS 126 HD1 LYS 126 -2.035 -7.157 14.329 984 1HE LYS 126 HE2 LYS 126 -2.072 -9.037 15.927 985 2HE LYS 126 HE1 LYS 126 -2.983 -10.005 14.767 986 1HZ LYS 126 HZ2 LYS 126 -0.669 -8.893 13.563 987 2HZ LYS 126 HZ1 LYS 126 -0.246 -9.780 14.949 988 3HZ LYS 126 HZ3 LYS 126 -1.128 -10.523 13.705 989 H LEU 127 HN LEU 127 -5.992 -3.758 13.681 990 HA LEU 127 HA LEU 127 -5.036 -1.462 15.249 991 1HB LEU 127 HB2 LEU 127 -5.064 -1.963 12.563 992 2HB LEU 127 HB1 LEU 127 -6.524 -0.986 12.722 993 HG LEU 127 HG LEU 127 -3.771 -0.206 13.738 994 1HD1 LEU 127 HD12 LEU 127 -4.141 -0.203 11.220 995 2HD1 LEU 127 HD11 LEU 127 -5.382 1.021 11.486 996 3HD1 LEU 127 HD13 LEU 127 -3.706 1.356 11.919 997 1HD2 LEU 127 HD23 LEU 127 -6.502 1.068 13.872 998 2HD2 LEU 127 HD22 LEU 127 -5.318 0.861 15.163 999 3HD2 LEU 127 HD21 LEU 127 -5.045 2.061 13.901 1000 H GLY 128 HN GLY 128 -8.030 -3.078 14.551 1001 1HA GLY 128 HA2 GLY 128 -10.262 -2.511 15.052 1002 2HA GLY 128 HA1 GLY 128 -9.552 -1.885 16.540 1003 H MET 129 HN MET 129 -10.354 -0.988 13.194 1004 HA MET 129 HA MET 129 -10.045 1.876 13.878 1005 1HB MET 129 HB2 MET 129 -10.233 0.280 11.394 1006 2HB MET 129 HB1 MET 129 -11.040 1.848 11.336 1007 1HG MET 129 HG2 MET 129 -8.192 1.475 12.297 1008 2HG MET 129 HG1 MET 129 -8.610 1.897 10.637 1009 1HE MET 129 HE2 MET 129 -7.870 3.011 14.102 1010 2HE MET 129 HE1 MET 129 -6.780 3.485 12.801 1011 3HE MET 129 HE3 MET 129 -7.617 4.720 13.752 Start of MODEL 28 Raw file had 1011 H/Q atoms Start of MODEL 28 1 H ALA 2 HN ALA 2 -14.479 -0.416 6.972 2 HA ALA 2 HA ALA 2 -13.468 0.210 9.698 3 1HB ALA 2 HB3 ALA 2 -11.629 -0.906 8.405 4 2HB ALA 2 HB2 ALA 2 -11.748 0.378 7.203 5 3HB ALA 2 HB1 ALA 2 -11.251 0.758 8.852 6 H ASP 3 HN ASP 3 -12.223 2.567 9.247 7 HA ASP 3 HA ASP 3 -14.205 4.493 8.986 8 1HB ASP 3 HB2 ASP 3 -11.251 4.574 8.368 9 2HB ASP 3 HB1 ASP 3 -12.255 6.006 8.144 10 H LYS 4 HN LYS 4 -15.064 5.721 7.222 11 HA LYS 4 HA LYS 4 -14.862 4.339 4.624 12 1HB LYS 4 HB2 LYS 4 -17.087 4.935 5.407 13 2HB LYS 4 HB1 LYS 4 -16.628 6.632 5.497 14 1HG LYS 4 HG2 LYS 4 -16.753 6.915 3.232 15 2HG LYS 4 HG1 LYS 4 -16.159 5.289 2.895 16 1HD LYS 4 HD2 LYS 4 -18.326 4.331 3.458 17 2HD LYS 4 HD1 LYS 4 -18.935 5.916 3.939 18 1HE LYS 4 HE2 LYS 4 -19.039 4.771 1.366 19 2HE LYS 4 HE1 LYS 4 -19.451 6.428 1.809 20 1HZ LYS 4 HZ3 LYS 4 -16.717 5.484 1.135 21 2HZ LYS 4 HZ2 LYS 4 -17.751 6.304 0.063 22 3HZ LYS 4 HZ1 LYS 4 -17.179 7.083 1.461 23 H GLU 5 HN GLU 5 -12.841 6.389 5.953 24 HA GLU 5 HA GLU 5 -12.213 7.654 3.363 25 1HB GLU 5 HB2 GLU 5 -13.734 9.270 4.446 26 2HB GLU 5 HB1 GLU 5 -12.686 9.301 5.864 27 1HG GLU 5 HG2 GLU 5 -11.256 10.741 4.879 28 2HG GLU 5 HG1 GLU 5 -11.181 9.761 3.415 29 H LEU 6 HN LEU 6 -10.749 5.659 4.688 30 HA LEU 6 HA LEU 6 -8.692 6.875 6.301 31 1HB LEU 6 HB2 LEU 6 -9.285 4.481 6.504 32 2HB LEU 6 HB1 LEU 6 -8.751 4.208 4.856 33 HG LEU 6 HG LEU 6 -6.454 4.678 5.450 34 1HD1 LEU 6 HD12 LEU 6 -7.712 5.647 8.000 35 2HD1 LEU 6 HD11 LEU 6 -6.057 5.048 8.002 36 3HD1 LEU 6 HD13 LEU 6 -6.487 6.433 6.999 37 1HD2 LEU 6 HD23 LEU 6 -7.686 2.478 6.170 38 2HD2 LEU 6 HD22 LEU 6 -6.050 2.804 6.760 39 3HD2 LEU 6 HD21 LEU 6 -7.440 3.105 7.799 40 H LYS 7 HN LYS 7 -6.741 7.759 5.557 41 HA LYS 7 HA LYS 7 -6.668 8.543 2.779 42 1HB LYS 7 HB2 LYS 7 -4.982 8.997 5.188 43 2HB LYS 7 HB1 LYS 7 -4.242 9.279 3.614 44 1HG LYS 7 HG2 LYS 7 -6.024 10.828 2.999 45 2HG LYS 7 HG1 LYS 7 -6.886 10.474 4.493 46 1HD LYS 7 HD2 LYS 7 -5.786 12.459 5.045 47 2HD LYS 7 HD1 LYS 7 -4.660 11.248 5.653 48 1HE LYS 7 HE2 LYS 7 -3.130 12.401 4.421 49 2HE LYS 7 HE1 LYS 7 -3.802 11.498 3.067 50 1HZ LYS 7 HZ3 LYS 7 -5.355 13.807 3.711 51 2HZ LYS 7 HZ2 LYS 7 -3.750 14.211 3.328 52 3HZ LYS 7 HZ1 LYS 7 -4.694 13.333 2.223 53 H PHE 8 HN PHE 8 -6.022 7.253 1.140 54 HA PHE 8 HA PHE 8 -3.897 5.234 1.646 55 1HB PHE 8 HB2 PHE 8 -5.946 5.458 -0.570 56 2HB PHE 8 HB1 PHE 8 -4.651 4.284 -0.554 57 HD1 PHE 8 HD2 PHE 8 -7.669 5.439 1.200 58 HD2 PHE 8 HD1 PHE 8 -4.799 2.286 0.778 59 HE1 PHE 8 HE2 PHE 8 -9.072 3.974 2.600 60 HE2 PHE 8 HE1 PHE 8 -6.223 0.805 2.175 61 HZ PHE 8 HZ PHE 8 -8.353 1.663 3.114 62 H LEU 9 HN LEU 9 -2.169 5.111 0.120 63 HA LEU 9 HA LEU 9 -1.927 7.403 -1.772 64 1HB LEU 9 HB2 LEU 9 -0.647 8.265 -0.017 65 2HB LEU 9 HB1 LEU 9 -0.120 6.687 0.520 66 HG LEU 9 HG LEU 9 1.723 6.705 -0.836 67 1HD1 LEU 9 HD13 LEU 9 -0.051 7.891 -2.919 68 2HD1 LEU 9 HD12 LEU 9 1.637 8.313 -2.983 69 3HD1 LEU 9 HD11 LEU 9 1.165 6.635 -3.057 70 1HD2 LEU 9 HD22 LEU 9 1.562 8.894 0.465 71 2HD2 LEU 9 HD21 LEU 9 2.698 8.868 -0.885 72 3HD2 LEU 9 HD23 LEU 9 1.131 9.650 -1.059 73 H VAL 10 HN VAL 10 -2.004 6.212 -3.625 74 HA VAL 10 HA VAL 10 -0.629 3.607 -3.761 75 HB VAL 10 HB VAL 10 -1.623 3.803 -6.192 76 1HG1 VAL 10 HG11 VAL 10 -2.967 3.270 -3.572 77 2HG1 VAL 10 HG13 VAL 10 -3.959 3.284 -5.030 78 3HG1 VAL 10 HG12 VAL 10 -2.610 2.157 -4.893 79 1HG2 VAL 10 HG22 VAL 10 -2.135 6.304 -5.618 80 2HG2 VAL 10 HG21 VAL 10 -3.351 5.365 -6.485 81 3HG2 VAL 10 HG23 VAL 10 -3.521 5.643 -4.751 82 H VAL 11 HN VAL 11 1.433 3.438 -4.511 83 HA VAL 11 HA VAL 11 2.495 5.595 -6.245 84 HB VAL 11 HB VAL 11 4.031 3.683 -4.469 85 1HG1 VAL 11 HG12 VAL 11 4.792 5.455 -6.659 86 2HG1 VAL 11 HG11 VAL 11 5.618 5.878 -5.159 87 3HG1 VAL 11 HG13 VAL 11 5.759 4.246 -5.813 88 1HG2 VAL 11 HG23 VAL 11 3.173 6.557 -4.164 89 2HG2 VAL 11 HG22 VAL 11 3.005 5.235 -3.008 90 3HG2 VAL 11 HG21 VAL 11 4.589 5.937 -3.323 91 H ASP 12 HN ASP 12 1.869 4.685 -8.243 92 HA ASP 12 HA ASP 12 3.236 2.109 -8.940 93 1HB ASP 12 HB2 ASP 12 1.155 2.166 -10.680 94 2HB ASP 12 HB1 ASP 12 1.094 1.334 -9.126 95 H ASP 13 HN ASP 13 3.096 1.991 -11.555 96 HA ASP 13 HA ASP 13 3.639 4.655 -12.733 97 1HB ASP 13 HB2 ASP 13 5.648 2.391 -12.913 98 2HB ASP 13 HB1 ASP 13 5.824 4.020 -13.567 99 H PHE 14 HN PHE 14 1.616 2.462 -13.049 100 HA PHE 14 HA PHE 14 2.232 1.395 -15.736 101 1HB PHE 14 HB2 PHE 14 0.749 0.433 -13.592 102 2HB PHE 14 HB1 PHE 14 -0.484 0.955 -14.740 103 HD1 PHE 14 HD2 PHE 14 -0.161 0.220 -17.219 104 HD2 PHE 14 HD1 PHE 14 1.832 -1.627 -13.893 105 HE1 PHE 14 HE2 PHE 14 0.267 -1.798 -18.596 106 HE2 PHE 14 HE1 PHE 14 2.259 -3.645 -15.270 107 HZ PHE 14 HZ PHE 14 1.477 -3.731 -17.621 108 H SER 15 HN SER 15 0.898 4.186 -14.427 109 HA SER 15 HA SER 15 -0.112 6.014 -15.511 110 1HB SER 15 HB2 SER 15 -0.515 4.552 -18.065 111 2HB SER 15 HB1 SER 15 0.107 6.175 -17.785 112 HG SER 15 HG SER 15 1.786 4.425 -16.699 113 H THR 16 HN THR 16 -1.432 2.908 -15.217 114 HA THR 16 HA THR 16 -4.162 4.065 -15.284 115 HB THR 16 HB THR 16 -4.689 3.037 -17.218 116 HG1 THR 16 HG1 THR 16 -3.910 0.522 -16.316 117 1HG2 THR 16 HG21 THR 16 -2.010 1.645 -16.962 118 2HG2 THR 16 HG23 THR 16 -3.042 1.565 -18.390 119 3HG2 THR 16 HG22 THR 16 -2.352 3.108 -17.886 120 H MET 17 HN MET 17 -1.836 2.073 -13.857 121 HA MET 17 HA MET 17 -3.497 0.080 -12.634 122 1HB MET 17 HB2 MET 17 -1.183 -0.350 -12.519 123 2HB MET 17 HB1 MET 17 -0.817 1.277 -11.943 124 1HG MET 17 HG2 MET 17 -1.614 0.822 -9.775 125 2HG MET 17 HG1 MET 17 -2.537 -0.582 -10.311 126 1HE MET 17 HE3 MET 17 -1.661 -1.118 -8.163 127 2HE MET 17 HE2 MET 17 -0.657 -2.564 -8.227 128 3HE MET 17 HE1 MET 17 0.041 -1.039 -7.687 129 NH1 ARG 18 NH2 ARG 18 -0.151 7.452 -12.664 130 NH2 ARG 18 NH1 ARG 18 -0.871 8.472 -10.780 131 H ARG 18 HN ARG 18 -3.017 3.451 -12.003 132 HA ARG 18 HA ARG 18 -3.903 3.435 -9.246 133 1HB ARG 18 HB2 ARG 18 -4.602 5.927 -10.217 134 2HB ARG 18 HB1 ARG 18 -3.065 5.517 -9.487 135 1HG ARG 18 HG2 ARG 18 -3.522 5.071 -12.436 136 2HG ARG 18 HG1 ARG 18 -3.067 6.656 -11.828 137 1HD ARG 18 HD2 ARG 18 -1.484 4.238 -10.997 138 2HD ARG 18 HD1 ARG 18 -1.175 5.006 -12.554 139 HE ARG 18 HE ARG 18 -0.362 6.038 -9.994 140 1HH1 ARG 18 HH21 ARG 18 0.062 6.616 -13.169 141 2HH1 ARG 18 HH22 ARG 18 -0.023 8.345 -13.097 142 1HH2 ARG 18 HH11 ARG 18 -1.211 8.416 -9.840 143 2HH2 ARG 18 HH12 ARG 18 -0.745 9.364 -11.213 144 NH1 ARG 19 NH1 ARG 19 -12.118 5.731 -13.890 145 NH2 ARG 19 NH2 ARG 19 -12.078 7.971 -13.589 146 H ARG 19 HN ARG 19 -5.524 4.701 -12.148 147 HA ARG 19 HA ARG 19 -8.024 5.093 -11.084 148 1HB ARG 19 HB2 ARG 19 -7.012 5.222 -13.597 149 2HB ARG 19 HB1 ARG 19 -8.059 3.811 -13.755 150 1HG ARG 19 HG2 ARG 19 -9.933 5.144 -12.778 151 2HG ARG 19 HG1 ARG 19 -8.879 6.559 -12.774 152 1HD ARG 19 HD2 ARG 19 -8.551 6.197 -15.261 153 2HD ARG 19 HD1 ARG 19 -9.831 4.987 -15.179 154 HE ARG 19 HE ARG 19 -10.323 7.735 -15.406 155 1HH1 ARG 19 HH11 ARG 19 -11.717 4.903 -14.281 156 2HH1 ARG 19 HH12 ARG 19 -12.952 5.672 -13.341 157 1HH2 ARG 19 HH21 ARG 19 -11.646 8.859 -13.748 158 2HH2 ARG 19 HH22 ARG 19 -12.912 7.913 -13.040 159 H ILE 20 HN ILE 20 -6.445 2.086 -11.375 160 HA ILE 20 HA ILE 20 -8.890 0.478 -11.515 161 HB ILE 20 HB ILE 20 -5.957 -0.064 -11.324 162 1HG1 ILE 20 HG12 ILE 20 -8.135 -1.440 -12.913 163 2HG1 ILE 20 HG11 ILE 20 -7.360 0.049 -13.456 164 1HG2 ILE 20 HG22 ILE 20 -8.136 -1.930 -10.368 165 2HG2 ILE 20 HG21 ILE 20 -6.610 -2.538 -11.005 166 3HG2 ILE 20 HG23 ILE 20 -6.616 -1.519 -9.567 167 1HD1 ILE 20 HD12 ILE 20 -5.541 -2.136 -12.594 168 2HD1 ILE 20 HD11 ILE 20 -6.425 -2.404 -14.097 169 3HD1 ILE 20 HD13 ILE 20 -5.377 -0.995 -13.929 170 H VAL 21 HN VAL 21 -6.423 1.148 -8.997 171 HA VAL 21 HA VAL 21 -7.968 -0.223 -6.962 172 HB VAL 21 HB VAL 21 -6.212 1.585 -5.695 173 1HG1 VAL 21 HG12 VAL 21 -5.869 -1.317 -6.512 174 2HG1 VAL 21 HG11 VAL 21 -4.914 -0.492 -5.281 175 3HG1 VAL 21 HG13 VAL 21 -6.642 -0.740 -5.036 176 1HG2 VAL 21 HG21 VAL 21 -5.266 2.053 -7.940 177 2HG2 VAL 21 HG23 VAL 21 -4.109 1.208 -6.913 178 3HG2 VAL 21 HG22 VAL 21 -4.980 0.328 -8.169 179 NH1 ARG 22 NH2 ARG 22 -9.643 10.094 -7.386 180 NH2 ARG 22 NH1 ARG 22 -7.985 10.822 -8.739 181 H ARG 22 HN ARG 22 -7.846 3.064 -8.182 182 HA ARG 22 HA ARG 22 -9.009 4.463 -6.011 183 1HB ARG 22 HB2 ARG 22 -8.718 4.847 -8.891 184 2HB ARG 22 HB1 ARG 22 -10.216 5.539 -8.277 185 1HG ARG 22 HG2 ARG 22 -8.937 6.749 -6.538 186 2HG ARG 22 HG1 ARG 22 -7.439 6.077 -7.181 187 1HD ARG 22 HD2 ARG 22 -7.710 7.238 -9.264 188 2HD ARG 22 HD1 ARG 22 -9.362 7.704 -8.860 189 HE ARG 22 HE ARG 22 -7.058 8.731 -7.258 190 1HH1 ARG 22 HH21 ARG 22 -10.037 9.383 -6.804 191 2HH1 ARG 22 HH22 ARG 22 -10.127 10.960 -7.515 192 1HH2 ARG 22 HH11 ARG 22 -7.107 10.667 -9.193 193 2HH2 ARG 22 HH12 ARG 22 -8.469 11.687 -8.867 194 H ASN 23 HN ASN 23 -10.634 2.886 -8.770 195 HA ASN 23 HA ASN 23 -13.300 3.248 -7.859 196 1HB ASN 23 HB2 ASN 23 -11.980 2.173 -10.042 197 2HB ASN 23 HB1 ASN 23 -12.739 0.785 -9.312 198 1HD2 ASN 23 HD22 ASN 23 -15.018 3.431 -11.323 199 2HD2 ASN 23 HD21 ASN 23 -13.323 3.518 -11.300 200 H LEU 24 HN LEU 24 -11.266 0.353 -7.848 201 HA LEU 24 HA LEU 24 -12.751 -1.436 -6.391 202 1HB LEU 24 HB2 LEU 24 -10.358 -1.636 -7.298 203 2HB LEU 24 HB1 LEU 24 -9.845 -0.924 -5.778 204 HG LEU 24 HG LEU 24 -11.679 -3.063 -5.193 205 1HD1 LEU 24 HD11 LEU 24 -9.450 -3.771 -7.123 206 2HD1 LEU 24 HD13 LEU 24 -10.306 -4.951 -6.134 207 3HD1 LEU 24 HD12 LEU 24 -11.177 -4.027 -7.356 208 1HD2 LEU 24 HD23 LEU 24 -8.746 -2.531 -4.725 209 2HD2 LEU 24 HD22 LEU 24 -10.066 -2.561 -3.562 210 3HD2 LEU 24 HD21 LEU 24 -9.466 -4.065 -4.253 211 H LEU 25 HN LEU 25 -10.509 0.913 -4.842 212 HA LEU 25 HA LEU 25 -11.286 0.417 -2.152 213 1HB LEU 25 HB2 LEU 25 -10.053 2.716 -3.618 214 2HB LEU 25 HB1 LEU 25 -10.664 3.010 -1.994 215 HG LEU 25 HG LEU 25 -8.973 0.584 -2.448 216 1HD1 LEU 25 HD13 LEU 25 -7.916 3.413 -2.171 217 2HD1 LEU 25 HD12 LEU 25 -6.938 1.951 -2.034 218 3HD1 LEU 25 HD11 LEU 25 -7.708 2.358 -3.569 219 1HD2 LEU 25 HD22 LEU 25 -10.063 1.064 -0.261 220 2HD2 LEU 25 HD21 LEU 25 -8.304 1.077 -0.139 221 3HD2 LEU 25 HD23 LEU 25 -9.196 2.598 -0.187 222 H LYS 26 HN LYS 26 -12.686 2.581 -4.600 223 HA LYS 26 HA LYS 26 -14.589 3.825 -2.904 224 1HB LYS 26 HB2 LYS 26 -13.898 4.023 -5.574 225 2HB LYS 26 HB1 LYS 26 -15.528 3.352 -5.637 226 1HG LYS 26 HG2 LYS 26 -16.191 5.178 -3.973 227 2HG LYS 26 HG1 LYS 26 -14.630 5.921 -4.320 228 1HD LYS 26 HD2 LYS 26 -15.193 6.033 -6.709 229 2HD LYS 26 HD1 LYS 26 -16.743 5.252 -6.391 230 1HE LYS 26 HE2 LYS 26 -16.466 7.474 -4.604 231 2HE LYS 26 HE1 LYS 26 -16.124 8.030 -6.242 232 1HZ LYS 26 HZ3 LYS 26 -18.228 6.610 -6.783 233 2HZ LYS 26 HZ2 LYS 26 -18.585 6.875 -5.143 234 3HZ LYS 26 HZ1 LYS 26 -18.386 8.193 -6.196 235 H GLU 27 HN GLU 27 -14.916 1.002 -5.054 236 HA GLU 27 HA GLU 27 -17.564 0.325 -4.537 237 1HB GLU 27 HB2 GLU 27 -15.112 -1.230 -5.230 238 2HB GLU 27 HB1 GLU 27 -16.535 -2.132 -4.714 239 1HG GLU 27 HG2 GLU 27 -17.803 -1.449 -6.536 240 2HG GLU 27 HG1 GLU 27 -16.868 0.031 -6.760 241 H LEU 28 HN LEU 28 -14.694 -0.268 -2.574 242 HA LEU 28 HA LEU 28 -16.052 -1.895 -0.605 243 1HB LEU 28 HB2 LEU 28 -13.383 -0.862 -1.050 244 2HB LEU 28 HB1 LEU 28 -13.857 -0.598 0.626 245 HG LEU 28 HG LEU 28 -12.753 -2.799 0.314 246 1HD1 LEU 28 HD12 LEU 28 -15.030 -2.263 1.754 247 2HD1 LEU 28 HD11 LEU 28 -15.522 -3.675 0.820 248 3HD1 LEU 28 HD13 LEU 28 -14.104 -3.760 1.866 249 1HD2 LEU 28 HD22 LEU 28 -14.293 -2.850 -2.037 250 2HD2 LEU 28 HD21 LEU 28 -13.258 -4.139 -1.428 251 3HD2 LEU 28 HD23 LEU 28 -14.973 -4.115 -1.015 252 H GLY 29 HN GLY 29 -14.764 1.416 -0.370 253 1HA GLY 29 HA2 GLY 29 -16.885 2.891 0.395 254 2HA GLY 29 HA1 GLY 29 -16.557 1.967 1.855 255 H PHE 30 HN PHE 30 -14.702 3.874 -0.548 256 HA PHE 30 HA PHE 30 -13.506 5.387 1.696 257 1HB PHE 30 HB2 PHE 30 -11.947 3.596 -0.184 258 2HB PHE 30 HB1 PHE 30 -11.193 4.987 0.579 259 HD1 PHE 30 HD2 PHE 30 -11.487 5.185 3.144 260 HD2 PHE 30 HD1 PHE 30 -12.026 1.547 0.937 261 HE1 PHE 30 HE2 PHE 30 -11.110 3.879 5.212 262 HE2 PHE 30 HE1 PHE 30 -11.663 0.233 3.010 263 HZ PHE 30 HZ PHE 30 -11.206 1.400 5.152 264 H ASN 31 HN ASN 31 -12.677 7.462 0.955 265 HA ASN 31 HA ASN 31 -12.748 7.989 -1.955 266 1HB ASN 31 HB2 ASN 31 -15.085 8.345 -0.965 267 2HB ASN 31 HB1 ASN 31 -14.390 9.721 -0.107 268 1HD2 ASN 31 HD22 ASN 31 -13.458 10.735 -3.777 269 2HD2 ASN 31 HD21 ASN 31 -12.513 9.820 -2.704 270 H ASN 32 HN ASN 32 -10.367 8.108 -0.748 271 HA ASN 32 HA ASN 32 -9.630 10.892 -0.944 272 1HB ASN 32 HB2 ASN 32 -10.711 10.806 1.357 273 2HB ASN 32 HB1 ASN 32 -9.392 9.744 1.846 274 1HD2 ASN 32 HD22 ASN 32 -7.441 12.949 0.559 275 2HD2 ASN 32 HD21 ASN 32 -8.031 11.711 -0.441 276 H VAL 33 HN VAL 33 -7.894 10.213 -2.259 277 HA VAL 33 HA VAL 33 -5.650 8.972 -0.791 278 HB VAL 33 HB VAL 33 -5.390 7.095 -2.094 279 1HG1 VAL 33 HG11 VAL 33 -7.637 6.956 -1.044 280 2HG1 VAL 33 HG13 VAL 33 -8.341 7.620 -2.515 281 3HG1 VAL 33 HG12 VAL 33 -7.543 6.047 -2.549 282 1HG2 VAL 33 HG23 VAL 33 -6.687 8.707 -4.298 283 2HG2 VAL 33 HG22 VAL 33 -5.057 8.026 -4.246 284 3HG2 VAL 33 HG21 VAL 33 -6.449 6.968 -4.445 285 H GLU 34 HN GLU 34 -3.705 8.807 -2.457 286 HA GLU 34 HA GLU 34 -3.757 11.068 -4.361 287 1HB GLU 34 HB2 GLU 34 -2.122 12.329 -3.348 288 2HB GLU 34 HB1 GLU 34 -2.902 11.676 -1.928 289 1HG GLU 34 HG2 GLU 34 -0.713 11.212 -1.408 290 2HG GLU 34 HG1 GLU 34 -1.123 9.737 -2.254 291 H GLU 35 HN GLU 35 -1.250 11.013 -5.363 292 HA GLU 35 HA GLU 35 -0.558 8.146 -5.764 293 1HB GLU 35 HB2 GLU 35 -1.429 10.125 -7.851 294 2HB GLU 35 HB1 GLU 35 -0.351 8.797 -8.275 295 1HG GLU 35 HG2 GLU 35 -1.955 7.165 -7.791 296 2HG GLU 35 HG1 GLU 35 -2.877 8.243 -6.743 297 H ALA 36 HN ALA 36 1.529 7.783 -6.673 298 HA ALA 36 HA ALA 36 3.351 10.080 -7.014 299 1HB ALA 36 HB3 ALA 36 3.211 8.861 -4.520 300 2HB ALA 36 HB2 ALA 36 4.577 8.061 -5.286 301 3HB ALA 36 HB1 ALA 36 4.559 9.814 -5.117 302 H GLU 37 HN GLU 37 5.738 8.783 -7.309 303 HA GLU 37 HA GLU 37 5.269 6.309 -8.853 304 1HB GLU 37 HB2 GLU 37 6.253 7.210 -10.905 305 2HB GLU 37 HB1 GLU 37 4.824 8.143 -10.456 306 1HG GLU 37 HG2 GLU 37 6.384 9.760 -9.276 307 2HG GLU 37 HG1 GLU 37 7.724 8.905 -10.041 308 H ASP 38 HN ASP 38 6.974 7.455 -6.503 309 HA ASP 38 HA ASP 38 9.268 5.787 -6.973 310 1HB ASP 38 HB2 ASP 38 9.949 7.623 -8.484 311 2HB ASP 38 HB1 ASP 38 9.767 8.775 -7.163 312 H GLY 39 HN GLY 39 10.441 5.506 -5.035 313 1HA GLY 39 HA2 GLY 39 9.192 5.994 -2.594 314 2HA GLY 39 HA1 GLY 39 10.937 5.776 -2.742 315 H VAL 40 HN VAL 40 11.550 8.062 -4.278 316 HA VAL 40 HA VAL 40 11.695 10.076 -2.246 317 HB VAL 40 HB VAL 40 12.167 10.093 -5.230 318 1HG1 VAL 40 HG11 VAL 40 12.101 12.398 -3.292 319 2HG1 VAL 40 HG13 VAL 40 13.192 12.427 -4.677 320 3HG1 VAL 40 HG12 VAL 40 11.450 12.311 -4.929 321 1HG2 VAL 40 HG23 VAL 40 13.728 9.128 -3.301 322 2HG2 VAL 40 HG22 VAL 40 14.415 10.010 -4.664 323 3HG2 VAL 40 HG21 VAL 40 14.165 10.827 -3.122 324 H ASP 41 HN ASP 41 9.431 9.440 -4.866 325 HA ASP 41 HA ASP 41 8.011 11.957 -4.608 326 1HB ASP 41 HB2 ASP 41 8.047 10.249 -6.585 327 2HB ASP 41 HB1 ASP 41 6.795 9.419 -5.669 328 H ALA 42 HN ALA 42 7.420 8.615 -3.491 329 HA ALA 42 HA ALA 42 5.003 9.129 -2.101 330 1HB ALA 42 HB3 ALA 42 6.545 6.913 -2.507 331 2HB ALA 42 HB2 ALA 42 6.888 7.250 -0.811 332 3HB ALA 42 HB1 ALA 42 5.226 6.987 -1.337 333 H LEU 43 HN LEU 43 8.382 9.213 -0.952 334 HA LEU 43 HA LEU 43 7.955 9.871 1.719 335 1HB LEU 43 HB2 LEU 43 10.181 9.455 0.820 336 2HB LEU 43 HB1 LEU 43 10.095 10.893 -0.179 337 HG LEU 43 HG LEU 43 11.460 11.080 1.982 338 1HD1 LEU 43 HD11 LEU 43 10.004 12.995 0.657 339 2HD1 LEU 43 HD13 LEU 43 9.395 13.154 2.304 340 3HD1 LEU 43 HD12 LEU 43 11.119 13.316 1.981 341 1HD2 LEU 43 HD23 LEU 43 9.656 9.825 3.310 342 2HD2 LEU 43 HD22 LEU 43 10.359 11.250 4.071 343 3HD2 LEU 43 HD21 LEU 43 8.768 11.349 3.321 344 H ASN 44 HN ASN 44 8.226 12.161 -1.013 345 HA ASN 44 HA ASN 44 7.839 14.544 0.431 346 1HB ASN 44 HB2 ASN 44 7.453 13.679 -2.376 347 2HB ASN 44 HB1 ASN 44 6.605 15.150 -1.897 348 1HD2 ASN 44 HD22 ASN 44 10.477 15.437 -2.718 349 2HD2 ASN 44 HD21 ASN 44 9.466 14.181 -3.248 350 H LYS 45 HN LYS 45 5.374 12.335 -0.871 351 HA LYS 45 HA LYS 45 3.230 14.090 0.141 352 1HB LYS 45 HB2 LYS 45 3.393 11.691 -1.613 353 2HB LYS 45 HB1 LYS 45 1.891 11.932 -0.720 354 1HG LYS 45 HG2 LYS 45 1.827 13.036 -2.945 355 2HG LYS 45 HG1 LYS 45 1.687 14.202 -1.629 356 1HD LYS 45 HD2 LYS 45 3.769 15.101 -2.015 357 2HD LYS 45 HD1 LYS 45 4.436 13.573 -2.593 358 1HE LYS 45 HE2 LYS 45 4.070 15.435 -4.342 359 2HE LYS 45 HE1 LYS 45 3.464 13.826 -4.736 360 1HZ LYS 45 HZ3 LYS 45 1.600 15.469 -3.275 361 2HZ LYS 45 HZ2 LYS 45 1.999 16.080 -4.809 362 3HZ LYS 45 HZ1 LYS 45 1.355 14.515 -4.656 363 H LEU 46 HN LEU 46 4.866 11.156 1.113 364 HA LEU 46 HA LEU 46 2.908 10.058 2.836 365 1HB LEU 46 HB2 LEU 46 5.717 9.681 2.337 366 2HB LEU 46 HB1 LEU 46 5.462 9.742 4.074 367 HG LEU 46 HG LEU 46 5.277 7.431 3.204 368 1HD1 LEU 46 HD12 LEU 46 3.306 8.827 4.768 369 2HD1 LEU 46 HD11 LEU 46 2.526 7.549 3.838 370 3HD1 LEU 46 HD13 LEU 46 3.861 7.161 4.917 371 1HD2 LEU 46 HD23 LEU 46 3.797 8.713 1.134 372 2HD2 LEU 46 HD22 LEU 46 4.213 7.007 1.269 373 3HD2 LEU 46 HD21 LEU 46 2.706 7.601 1.959 374 H GLN 47 HN GLN 47 4.779 12.948 3.105 375 HA GLN 47 HA GLN 47 4.308 13.155 6.026 376 1HB GLN 47 HB2 GLN 47 6.523 13.804 5.199 377 2HB GLN 47 HB1 GLN 47 5.787 14.980 4.109 378 1HG GLN 47 HG2 GLN 47 5.337 16.465 5.794 379 2HG GLN 47 HG1 GLN 47 5.027 15.191 6.974 380 1HE2 GLN 47 HE22 GLN 47 8.899 16.448 6.383 381 2HE2 GLN 47 HE21 GLN 47 7.743 16.722 5.170 382 H ALA 48 HN ALA 48 2.669 13.925 3.192 383 HA ALA 48 HA ALA 48 1.674 16.494 3.484 384 1HB ALA 48 HB1 ALA 48 1.020 14.522 1.827 385 2HB ALA 48 HB3 ALA 48 -0.314 14.318 2.962 386 3HB ALA 48 HB2 ALA 48 -0.095 15.855 2.126 387 H GLY 49 HN GLY 49 0.048 13.623 4.877 388 1HA GLY 49 HA2 GLY 49 -0.512 15.187 7.331 389 2HA GLY 49 HA1 GLY 49 -1.902 14.573 6.435 390 H GLY 50 HN GLY 50 0.734 12.503 6.073 391 1HA GLY 50 HA2 GLY 50 1.394 10.537 7.242 392 2HA GLY 50 HA1 GLY 50 0.250 10.945 8.521 393 OH TYR 51 OH TYR 51 -2.047 12.414 0.103 394 H TYR 51 HN TYR 51 0.421 9.762 5.182 395 HA TYR 51 HA TYR 51 -2.288 9.065 4.876 396 1HB TYR 51 HB2 TYR 51 0.264 8.003 3.699 397 2HB TYR 51 HB1 TYR 51 -1.279 7.243 3.313 398 HD1 TYR 51 HD2 TYR 51 0.564 10.469 3.286 399 HD2 TYR 51 HD1 TYR 51 -2.842 8.282 1.857 400 HE1 TYR 51 HE2 TYR 51 0.003 12.338 1.754 401 HE2 TYR 51 HE1 TYR 51 -3.402 10.153 0.325 402 HH TYR 51 HH TYR 51 -1.995 13.228 0.607 403 H GLY 52 HN GLY 52 -3.452 7.828 6.189 404 1HA GLY 52 HA2 GLY 52 -2.339 5.993 8.074 405 2HA GLY 52 HA1 GLY 52 -4.036 6.104 7.653 406 H PHE 53 HN PHE 53 -2.384 5.706 4.804 407 HA PHE 53 HA PHE 53 -1.940 2.840 4.981 408 1HB PHE 53 HB2 PHE 53 -4.564 3.612 4.618 409 2HB PHE 53 HB1 PHE 53 -4.019 3.366 2.972 410 HD1 PHE 53 HD1 PHE 53 -1.977 1.057 3.664 411 HD2 PHE 53 HD2 PHE 53 -6.074 1.802 4.703 412 HE1 PHE 53 HE1 PHE 53 -2.355 -1.353 3.955 413 HE2 PHE 53 HE2 PHE 53 -6.453 -0.610 4.988 414 HZ PHE 53 HZ PHE 53 -4.585 -2.206 4.616 415 H VAL 54 HN VAL 54 -0.627 2.171 3.254 416 HA VAL 54 HA VAL 54 -0.398 4.011 0.908 417 HB VAL 54 HB VAL 54 1.963 2.865 2.423 418 1HG1 VAL 54 HG11 VAL 54 1.648 3.871 -0.243 419 2HG1 VAL 54 HG13 VAL 54 2.625 5.018 0.675 420 3HG1 VAL 54 HG12 VAL 54 3.127 3.330 0.553 421 1HG2 VAL 54 HG22 VAL 54 0.628 5.563 2.426 422 2HG2 VAL 54 HG21 VAL 54 1.192 4.610 3.796 423 3HG2 VAL 54 HG23 VAL 54 2.355 5.426 2.752 424 H ILE 55 HN ILE 55 -0.839 2.794 -0.845 425 HA ILE 55 HA ILE 55 -0.173 -0.118 -0.795 426 HB ILE 55 HB ILE 55 -1.899 1.330 -2.812 427 1HG1 ILE 55 HG12 ILE 55 -2.639 0.107 -0.138 428 2HG1 ILE 55 HG11 ILE 55 -2.909 1.769 -0.665 429 1HG2 ILE 55 HG21 ILE 55 -0.883 -1.137 -2.969 430 2HG2 ILE 55 HG23 ILE 55 -2.274 -1.503 -1.949 431 3HG2 ILE 55 HG22 ILE 55 -2.511 -0.772 -3.537 432 1HD1 ILE 55 HD11 ILE 55 -4.296 0.721 -2.585 433 2HD1 ILE 55 HD13 ILE 55 -4.291 -0.742 -1.601 434 3HD1 ILE 55 HD12 ILE 55 -5.011 0.741 -0.974 435 H SER 56 HN SER 56 1.968 -0.196 -1.486 436 HA SER 56 HA SER 56 2.636 1.209 -4.045 437 1HB SER 56 HB2 SER 56 5.022 0.774 -3.298 438 2HB SER 56 HB1 SER 56 4.111 1.899 -2.294 439 HG SER 56 HG SER 56 3.964 0.416 -0.737 440 H ASP 57 HN ASP 57 3.908 -0.009 -5.618 441 HA ASP 57 HA ASP 57 3.157 -2.877 -5.632 442 1HB ASP 57 HB2 ASP 57 2.749 -1.632 -7.690 443 2HB ASP 57 HB1 ASP 57 4.429 -1.095 -7.738 444 CH2 TRP 58 CH2 TRP 58 9.837 -6.424 -0.642 445 H TRP 58 HN TRP 58 4.875 -4.470 -6.272 446 HA TRP 58 HA TRP 58 7.399 -3.856 -4.824 447 1HB TRP 58 HB2 TRP 58 5.988 -5.952 -4.382 448 2HB TRP 58 HB1 TRP 58 6.525 -6.523 -5.960 449 HD1 TRP 58 HD1 TRP 58 9.067 -7.188 -6.245 450 HE1 TRP 58 HE1 TRP 58 10.920 -7.717 -4.533 451 HE3 TRP 58 HE3 TRP 58 6.915 -5.319 -2.010 452 HZ2 TRP 58 HZ2 TRP 58 11.423 -7.394 -1.733 453 HZ3 TRP 58 HZ3 TRP 58 8.100 -5.438 0.158 454 HH2 TRP 58 HH2 TRP 58 10.347 -6.477 0.310 455 H ASN 59 HN ASN 59 8.971 -3.025 -6.117 456 HA ASN 59 HA ASN 59 10.545 -2.965 -7.863 457 1HB ASN 59 HB2 ASN 59 9.984 -5.595 -7.714 458 2HB ASN 59 HB1 ASN 59 9.324 -5.260 -9.314 459 1HD2 ASN 59 HD22 ASN 59 13.234 -5.744 -9.043 460 2HD2 ASN 59 HD21 ASN 59 12.086 -6.365 -7.957 461 H MET 60 HN MET 60 9.776 -1.061 -8.778 462 HA MET 60 HA MET 60 8.783 -1.114 -11.407 463 1HB MET 60 HB2 MET 60 6.681 -1.470 -9.490 464 2HB MET 60 HB1 MET 60 6.492 0.112 -10.248 465 1HG MET 60 HG2 MET 60 6.685 -0.947 -12.479 466 2HG MET 60 HG1 MET 60 6.809 -2.526 -11.707 467 1HE MET 60 HE1 MET 60 5.018 -3.556 -12.888 468 2HE MET 60 HE3 MET 60 4.801 -3.993 -11.188 469 3HE MET 60 HE2 MET 60 3.403 -3.603 -12.187 470 HA PRO 61 HA PRO 61 8.567 3.399 -9.732 471 1HB PRO 61 HB2 PRO 61 9.636 3.471 -7.065 472 2HB PRO 61 HB1 PRO 61 8.008 3.922 -7.593 473 1HG PRO 61 HG2 PRO 61 8.749 1.632 -6.046 474 2HG PRO 61 HG1 PRO 61 7.142 2.035 -6.666 475 1HD PRO 61 HD2 PRO 61 8.980 -0.011 -7.590 476 2HD PRO 61 HD1 PRO 61 7.306 0.281 -8.092 477 H ASN 62 HN ASN 62 11.029 1.956 -7.590 478 HA ASN 62 HA ASN 62 13.164 2.481 -9.541 479 1HB ASN 62 HB2 ASN 62 14.369 4.074 -8.259 480 2HB ASN 62 HB1 ASN 62 12.703 4.650 -8.210 481 1HD2 ASN 62 HD22 ASN 62 12.316 4.062 -4.728 482 2HD2 ASN 62 HD21 ASN 62 11.524 4.437 -6.181 483 H MET 63 HN MET 63 14.570 0.798 -9.342 484 HA MET 63 HA MET 63 15.602 -1.109 -8.444 485 1HB MET 63 HB2 MET 63 15.587 0.887 -6.213 486 2HB MET 63 HB1 MET 63 16.035 -0.776 -5.834 487 1HG MET 63 HG2 MET 63 17.773 -0.736 -7.549 488 2HG MET 63 HG1 MET 63 17.290 0.888 -8.035 489 1HE MET 63 HE2 MET 63 19.272 -1.338 -5.754 490 2HE MET 63 HE1 MET 63 20.150 -0.416 -6.971 491 3HE MET 63 HE3 MET 63 20.478 -0.157 -5.253 492 H ASP 64 HN ASP 64 13.901 -0.366 -5.440 493 HA ASP 64 HA ASP 64 11.850 -2.417 -6.007 494 1HB ASP 64 HB2 ASP 64 14.218 -2.941 -4.439 495 2HB ASP 64 HB1 ASP 64 12.783 -3.051 -3.420 496 H GLY 65 HN GLY 65 9.971 -2.082 -4.747 497 1HA GLY 65 HA2 GLY 65 9.642 0.536 -3.639 498 2HA GLY 65 HA1 GLY 65 8.473 -0.763 -3.480 499 H LEU 66 HN LEU 66 11.384 -1.949 -2.376 500 HA LEU 66 HA LEU 66 10.491 -2.007 0.361 501 1HB LEU 66 HB2 LEU 66 12.436 -3.343 -1.125 502 2HB LEU 66 HB1 LEU 66 13.363 -2.411 0.052 503 HG LEU 66 HG LEU 66 11.055 -4.273 0.687 504 1HD1 LEU 66 HD11 LEU 66 14.051 -4.489 1.090 505 2HD1 LEU 66 HD13 LEU 66 12.882 -5.545 1.883 506 3HD1 LEU 66 HD12 LEU 66 13.024 -5.551 0.126 507 1HD2 LEU 66 HD21 LEU 66 12.469 -2.175 2.211 508 2HD2 LEU 66 HD23 LEU 66 10.889 -2.903 2.499 509 3HD2 LEU 66 HD22 LEU 66 12.351 -3.726 3.041 510 H GLU 67 HN GLU 67 13.450 -0.446 -0.963 511 HA GLU 67 HA GLU 67 14.121 1.104 1.252 512 1HB GLU 67 HB2 GLU 67 14.890 1.040 -1.435 513 2HB GLU 67 HB1 GLU 67 14.308 2.688 -1.192 514 1HG GLU 67 HG2 GLU 67 15.752 2.831 0.857 515 2HG GLU 67 HG1 GLU 67 16.423 1.254 0.435 516 H LEU 68 HN LEU 68 11.551 1.584 -1.069 517 HA LEU 68 HA LEU 68 10.792 4.240 -0.261 518 1HB LEU 68 HB2 LEU 68 9.778 3.766 -2.255 519 2HB LEU 68 HB1 LEU 68 9.735 2.045 -1.923 520 HG LEU 68 HG LEU 68 7.748 2.297 -0.547 521 1HD1 LEU 68 HD12 LEU 68 8.611 5.079 -0.523 522 2HD1 LEU 68 HD11 LEU 68 6.918 4.932 -0.991 523 3HD1 LEU 68 HD13 LEU 68 7.468 4.258 0.540 524 1HD2 LEU 68 HD22 LEU 68 7.868 2.625 -3.267 525 2HD2 LEU 68 HD21 LEU 68 6.378 2.426 -2.350 526 3HD2 LEU 68 HD23 LEU 68 6.935 4.041 -2.779 527 H LEU 69 HN LEU 69 9.508 1.012 0.549 528 HA LEU 69 HA LEU 69 7.638 1.819 2.545 529 1HB LEU 69 HB2 LEU 69 8.577 -0.560 1.449 530 2HB LEU 69 HB1 LEU 69 9.057 -0.667 3.139 531 HG LEU 69 HG LEU 69 6.236 0.004 2.243 532 1HD1 LEU 69 HD12 LEU 69 7.381 -2.429 1.848 533 2HD1 LEU 69 HD11 LEU 69 6.867 -2.590 3.521 534 3HD1 LEU 69 HD13 LEU 69 5.687 -2.213 2.273 535 1HD2 LEU 69 HD21 LEU 69 7.446 -0.822 4.903 536 2HD2 LEU 69 HD23 LEU 69 6.791 0.769 4.509 537 3HD2 LEU 69 HD22 LEU 69 5.721 -0.630 4.600 538 H LYS 70 HN LYS 70 10.886 0.442 2.976 539 HA LYS 70 HA LYS 70 11.305 0.820 5.674 540 1HB LYS 70 HB2 LYS 70 12.962 0.476 3.372 541 2HB LYS 70 HB1 LYS 70 13.678 1.740 4.372 542 1HG LYS 70 HG2 LYS 70 13.640 0.283 6.323 543 2HG LYS 70 HG1 LYS 70 12.797 -0.969 5.410 544 1HD LYS 70 HD2 LYS 70 14.683 -1.392 4.033 545 2HD LYS 70 HD1 LYS 70 15.481 0.101 4.533 546 1HE LYS 70 HE2 LYS 70 15.717 -0.782 6.822 547 2HE LYS 70 HE1 LYS 70 14.910 -2.272 6.333 548 1HZ LYS 70 HZ3 LYS 70 17.414 -1.243 5.115 549 2HZ LYS 70 HZ2 LYS 70 17.353 -2.437 6.323 550 3HZ LYS 70 HZ1 LYS 70 16.668 -2.733 4.796 551 H THR 71 HN THR 71 11.353 3.320 3.160 552 HA THR 71 HA THR 71 12.474 5.456 4.605 553 HB THR 71 HB THR 71 10.019 5.820 2.885 554 HG1 THR 71 HG1 THR 71 11.125 4.717 1.469 555 1HG2 THR 71 HG21 THR 71 11.160 7.739 4.099 556 2HG2 THR 71 HG23 THR 71 12.561 7.443 3.071 557 3HG2 THR 71 HG22 THR 71 11.025 7.920 2.352 558 H ILE 72 HN ILE 72 9.117 4.265 4.609 559 HA ILE 72 HA ILE 72 8.176 6.212 6.525 560 HB ILE 72 HB ILE 72 7.107 3.454 5.843 561 1HG1 ILE 72 HG12 ILE 72 5.416 5.412 4.807 562 2HG1 ILE 72 HG11 ILE 72 7.028 6.051 4.490 563 1HG2 ILE 72 HG21 ILE 72 6.216 5.608 7.680 564 2HG2 ILE 72 HG23 ILE 72 4.964 4.889 6.667 565 3HG2 ILE 72 HG22 ILE 72 5.914 3.872 7.749 566 1HD1 ILE 72 HD13 ILE 72 6.105 3.252 3.758 567 2HD1 ILE 72 HD12 ILE 72 6.209 4.606 2.634 568 3HD1 ILE 72 HD11 ILE 72 7.672 3.971 3.382 569 NH1 ARG 73 NH2 ARG 73 10.190 -0.914 12.603 570 NH2 ARG 73 NH1 ARG 73 12.215 -0.001 13.025 571 H ARG 73 HN ARG 73 9.742 3.073 6.741 572 HA ARG 73 HA ARG 73 9.314 2.957 9.665 573 1HB ARG 73 HB2 ARG 73 9.267 0.906 8.160 574 2HB ARG 73 HB1 ARG 73 11.006 1.112 7.964 575 1HG ARG 73 HG2 ARG 73 10.475 1.273 10.751 576 2HG ARG 73 HG1 ARG 73 9.586 -0.121 10.137 577 1HD ARG 73 HD2 ARG 73 11.695 -0.872 8.988 578 2HD ARG 73 HD1 ARG 73 12.548 0.438 9.808 579 HE ARG 73 HE ARG 73 12.268 -1.981 11.012 580 1HH1 ARG 73 HH21 ARG 73 9.580 -1.428 12.001 581 2HH1 ARG 73 HH22 ARG 73 9.859 -0.587 13.489 582 1HH2 ARG 73 HH11 ARG 73 13.157 0.184 12.745 583 2HH2 ARG 73 HH12 ARG 73 11.884 0.325 13.910 584 H ALA 74 HN ALA 74 11.507 4.443 7.586 585 HA ALA 74 HA ALA 74 13.988 4.006 8.946 586 1HB ALA 74 HB1 ALA 74 12.985 5.753 6.862 587 2HB ALA 74 HB3 ALA 74 14.055 6.631 7.954 588 3HB ALA 74 HB2 ALA 74 14.629 5.180 7.132 589 H ASP 75 HN ASP 75 11.636 6.669 9.244 590 HA ASP 75 HA ASP 75 12.861 8.190 11.221 591 1HB ASP 75 HB2 ASP 75 10.698 8.791 10.201 592 2HB ASP 75 HB1 ASP 75 9.917 7.471 11.071 593 H GLY 76 HN GLY 76 10.171 6.166 12.309 594 1HA GLY 76 HA2 GLY 76 11.275 4.223 13.856 595 2HA GLY 76 HA1 GLY 76 11.598 5.659 14.828 596 H ALA 77 HN ALA 77 9.480 7.155 14.891 597 HA ALA 77 HA ALA 77 7.417 5.475 16.126 598 1HB ALA 77 HB1 ALA 77 8.264 8.222 16.297 599 2HB ALA 77 HB3 ALA 77 6.535 8.166 15.957 600 3HB ALA 77 HB2 ALA 77 7.183 7.336 17.371 601 H MET 78 HN MET 78 8.054 6.579 13.014 602 HA MET 78 HA MET 78 5.215 6.865 12.240 603 1HB MET 78 HB2 MET 78 7.646 6.851 10.432 604 2HB MET 78 HB1 MET 78 6.048 7.512 10.080 605 1HG MET 78 HG2 MET 78 6.358 9.154 11.933 606 2HG MET 78 HG1 MET 78 7.993 8.538 12.168 607 1HE MET 78 HE1 MET 78 5.454 10.241 10.023 608 2HE MET 78 HE3 MET 78 6.333 11.508 10.889 609 3HE MET 78 HE2 MET 78 6.390 11.437 9.130 610 H SER 79 HN SER 79 7.402 4.365 12.697 611 HA SER 79 HA SER 79 6.640 2.670 10.462 612 1HB SER 79 HB2 SER 79 7.711 1.624 13.074 613 2HB SER 79 HB1 SER 79 8.019 1.041 11.440 614 HG SER 79 HG SER 79 9.206 3.079 12.875 615 H ALA 80 HN ALA 80 4.232 3.299 11.022 616 HA ALA 80 HA ALA 80 3.113 0.977 12.469 617 1HB ALA 80 HB2 ALA 80 3.402 2.969 14.074 618 2HB ALA 80 HB1 ALA 80 2.117 3.743 13.146 619 3HB ALA 80 HB3 ALA 80 1.804 2.228 13.995 620 H LEU 81 HN LEU 81 2.676 3.707 10.288 621 HA LEU 81 HA LEU 81 -0.055 3.369 9.727 622 1HB LEU 81 HB2 LEU 81 2.080 4.171 7.745 623 2HB LEU 81 HB1 LEU 81 0.368 4.565 7.665 624 HG LEU 81 HG LEU 81 2.356 5.530 9.738 625 1HD1 LEU 81 HD13 LEU 81 1.911 6.526 7.265 626 2HD1 LEU 81 HD12 LEU 81 0.623 7.349 8.146 627 3HD1 LEU 81 HD11 LEU 81 2.302 7.548 8.649 628 1HD2 LEU 81 HD21 LEU 81 -0.653 5.622 9.631 629 2HD2 LEU 81 HD23 LEU 81 0.392 5.280 11.007 630 3HD2 LEU 81 HD22 LEU 81 0.238 6.930 10.404 631 HA PRO 82 HA PRO 82 0.186 -0.764 7.908 632 1HB PRO 82 HB2 PRO 82 -2.329 -0.414 6.570 633 2HB PRO 82 HB1 PRO 82 -1.990 -1.372 8.007 634 1HG PRO 82 HG2 PRO 82 -3.398 1.138 7.851 635 2HG PRO 82 HG1 PRO 82 -3.078 0.160 9.290 636 1HD PRO 82 HD2 PRO 82 -1.877 2.658 8.583 637 2HD PRO 82 HD1 PRO 82 -1.501 1.629 9.981 638 H VAL 83 HN VAL 83 0.563 -1.658 5.877 639 HA VAL 83 HA VAL 83 0.365 0.109 3.477 640 HB VAL 83 HB VAL 83 2.773 -1.425 4.472 641 1HG1 VAL 83 HG11 VAL 83 1.905 -0.974 1.617 642 2HG1 VAL 83 HG13 VAL 83 3.616 -1.045 2.027 643 3HG1 VAL 83 HG12 VAL 83 2.578 -2.431 2.345 644 1HG2 VAL 83 HG23 VAL 83 2.149 1.297 4.224 645 2HG2 VAL 83 HG22 VAL 83 3.749 0.612 4.484 646 3HG2 VAL 83 HG21 VAL 83 3.196 0.952 2.848 647 H LEU 84 HN LEU 84 -0.405 -1.011 1.714 648 HA LEU 84 HA LEU 84 -0.699 -3.945 2.090 649 1HB LEU 84 HB2 LEU 84 -2.867 -2.646 2.112 650 2HB LEU 84 HB1 LEU 84 -2.518 -2.171 0.452 651 HG LEU 84 HG LEU 84 -2.430 -4.562 -0.200 652 1HD1 LEU 84 HD13 LEU 84 -2.791 -4.896 2.744 653 2HD1 LEU 84 HD12 LEU 84 -3.649 -6.027 1.699 654 3HD1 LEU 84 HD11 LEU 84 -1.894 -5.896 1.603 655 1HD2 LEU 84 HD22 LEU 84 -4.837 -3.297 1.031 656 2HD2 LEU 84 HD21 LEU 84 -4.536 -3.747 -0.646 657 3HD2 LEU 84 HD23 LEU 84 -4.959 -4.985 0.537 658 H MET 85 HN MET 85 1.578 -3.643 1.122 659 HA MET 85 HA MET 85 2.078 -2.809 -1.481 660 1HB MET 85 HB2 MET 85 3.235 -4.901 0.290 661 2HB MET 85 HB1 MET 85 3.623 -5.025 -1.426 662 1HG MET 85 HG2 MET 85 3.867 -2.373 -0.033 663 2HG MET 85 HG1 MET 85 5.151 -3.568 0.132 664 1HE MET 85 HE2 MET 85 6.262 -1.550 -0.519 665 2HE MET 85 HE1 MET 85 7.292 -2.440 -1.638 666 3HE MET 85 HE3 MET 85 6.509 -0.941 -2.154 667 H VAL 86 HN VAL 86 2.196 -4.095 -3.502 668 HA VAL 86 HA VAL 86 0.407 -6.448 -3.585 669 HB VAL 86 HB VAL 86 -1.209 -4.795 -4.001 670 1HG1 VAL 86 HG12 VAL 86 0.862 -3.346 -5.632 671 2HG1 VAL 86 HG11 VAL 86 -0.821 -2.847 -5.468 672 3HG1 VAL 86 HG13 VAL 86 0.231 -2.876 -4.055 673 1HG2 VAL 86 HG22 VAL 86 -0.099 -5.644 -6.689 674 2HG2 VAL 86 HG21 VAL 86 -1.438 -6.351 -5.789 675 3HG2 VAL 86 HG23 VAL 86 -1.592 -4.754 -6.508 676 H THR 87 HN THR 87 1.163 -7.962 -5.009 677 HA THR 87 HA THR 87 2.867 -7.102 -7.268 678 HB THR 87 HB THR 87 4.329 -7.484 -5.185 679 HG1 THR 87 HG1 THR 87 4.768 -7.845 -7.628 680 1HG2 THR 87 HG23 THR 87 2.849 -9.667 -4.772 681 2HG2 THR 87 HG22 THR 87 4.097 -10.398 -5.781 682 3HG2 THR 87 HG21 THR 87 4.540 -9.590 -4.277 683 H ALA 88 HN ALA 88 3.386 -9.057 -8.680 684 HA ALA 88 HA ALA 88 0.980 -10.755 -8.832 685 1HB ALA 88 HB3 ALA 88 2.697 -9.636 -10.731 686 2HB ALA 88 HB2 ALA 88 3.083 -11.355 -10.763 687 3HB ALA 88 HB1 ALA 88 1.428 -10.819 -11.046 688 H GLU 89 HN GLU 89 4.459 -11.528 -9.210 689 HA GLU 89 HA GLU 89 3.941 -14.206 -8.084 690 1HB GLU 89 HB2 GLU 89 6.268 -12.876 -9.450 691 2HB GLU 89 HB1 GLU 89 6.524 -14.356 -8.526 692 1HG GLU 89 HG2 GLU 89 4.341 -14.156 -10.601 693 2HG GLU 89 HG1 GLU 89 5.987 -14.617 -11.037 694 H ALA 90 HN ALA 90 3.698 -14.053 -5.867 695 HA ALA 90 HA ALA 90 5.500 -12.315 -4.310 696 1HB ALA 90 HB1 ALA 90 2.935 -13.653 -3.884 697 2HB ALA 90 HB3 ALA 90 4.021 -13.817 -2.505 698 3HB ALA 90 HB2 ALA 90 3.591 -12.214 -3.104 699 H LYS 91 HN LYS 91 7.548 -13.249 -4.319 700 HA LYS 91 HA LYS 91 8.058 -16.059 -4.110 701 1HB LYS 91 HB2 LYS 91 9.604 -13.865 -4.611 702 2HB LYS 91 HB1 LYS 91 10.073 -14.215 -2.949 703 1HG LYS 91 HG2 LYS 91 11.574 -15.546 -4.131 704 2HG LYS 91 HG1 LYS 91 10.270 -16.693 -3.832 705 1HD LYS 91 HD2 LYS 91 9.331 -16.222 -6.063 706 2HD LYS 91 HD1 LYS 91 10.614 -15.049 -6.360 707 1HE LYS 91 HE2 LYS 91 12.306 -16.813 -6.170 708 2HE LYS 91 HE1 LYS 91 11.052 -17.998 -5.806 709 1HZ LYS 91 HZ1 LYS 91 11.037 -16.387 -8.288 710 2HZ LYS 91 HZ3 LYS 91 11.832 -17.881 -8.185 711 3HZ LYS 91 HZ2 LYS 91 10.151 -17.796 -7.945 712 H LYS 92 HN LYS 92 9.991 -15.902 -1.865 713 HA LYS 92 HA LYS 92 8.045 -15.918 0.419 714 1HB LYS 92 HB2 LYS 92 10.053 -17.539 1.271 715 2HB LYS 92 HB1 LYS 92 8.613 -18.130 0.441 716 1HG LYS 92 HG2 LYS 92 9.728 -18.270 -1.640 717 2HG LYS 92 HG1 LYS 92 11.051 -17.238 -1.096 718 1HD LYS 92 HD2 LYS 92 11.845 -18.959 0.419 719 2HD LYS 92 HD1 LYS 92 10.449 -19.976 0.056 720 1HE LYS 92 HE2 LYS 92 11.167 -20.202 -2.265 721 2HE LYS 92 HE1 LYS 92 12.512 -19.097 -1.984 722 1HZ LYS 92 HZ3 LYS 92 12.615 -21.099 -0.041 723 2HZ LYS 92 HZ2 LYS 92 12.414 -21.861 -1.547 724 3HZ LYS 92 HZ1 LYS 92 13.717 -20.800 -1.295 725 H GLU 93 HN GLU 93 11.606 -16.039 0.152 726 HA GLU 93 HA GLU 93 12.197 -14.604 2.455 727 1HB GLU 93 HB2 GLU 93 13.927 -15.701 1.121 728 2HB GLU 93 HB1 GLU 93 13.680 -14.545 -0.188 729 1HG GLU 93 HG2 GLU 93 14.233 -13.395 2.496 730 2HG GLU 93 HG1 GLU 93 15.578 -14.218 1.705 731 H ASN 94 HN ASN 94 10.520 -13.420 -0.235 732 HA ASN 94 HA ASN 94 11.421 -10.632 0.104 733 1HB ASN 94 HB2 ASN 94 10.915 -10.776 -2.111 734 2HB ASN 94 HB1 ASN 94 9.828 -12.144 -1.867 735 1HD2 ASN 94 HD22 ASN 94 7.034 -10.048 -2.237 736 2HD2 ASN 94 HD21 ASN 94 7.771 -11.543 -2.555 737 H ILE 95 HN ILE 95 8.390 -12.476 0.482 738 HA ILE 95 HA ILE 95 6.861 -10.319 1.553 739 HB ILE 95 HB ILE 95 6.537 -13.254 2.239 740 1HG1 ILE 95 HG12 ILE 95 5.486 -11.686 -0.140 741 2HG1 ILE 95 HG11 ILE 95 6.722 -12.944 -0.205 742 1HG2 ILE 95 HG22 ILE 95 5.156 -10.968 3.077 743 2HG2 ILE 95 HG21 ILE 95 4.150 -11.644 1.796 744 3HG2 ILE 95 HG23 ILE 95 4.584 -12.632 3.190 745 1HD1 ILE 95 HD11 ILE 95 4.576 -14.092 1.202 746 2HD1 ILE 95 HD13 ILE 95 3.840 -13.225 -0.144 747 3HD1 ILE 95 HD12 ILE 95 5.067 -14.452 -0.453 748 H ILE 96 HN ILE 96 9.130 -12.560 3.063 749 HA ILE 96 HA ILE 96 8.408 -11.927 5.779 750 HB ILE 96 HB ILE 96 10.932 -13.052 4.553 751 1HG1 ILE 96 HG12 ILE 96 8.991 -14.429 6.403 752 2HG1 ILE 96 HG11 ILE 96 8.648 -14.315 4.677 753 1HG2 ILE 96 HG23 ILE 96 10.320 -12.153 7.321 754 2HG2 ILE 96 HG22 ILE 96 11.114 -13.720 7.165 755 3HG2 ILE 96 HG21 ILE 96 11.874 -12.275 6.495 756 1HD1 ILE 96 HD12 ILE 96 11.174 -15.485 5.883 757 2HD1 ILE 96 HD11 ILE 96 9.830 -16.420 5.228 758 3HD1 ILE 96 HD13 ILE 96 10.794 -15.397 4.162 759 H ALA 97 HN ALA 97 11.343 -10.967 3.978 760 HA ALA 97 HA ALA 97 12.289 -9.012 5.717 761 1HB ALA 97 HB2 ALA 97 12.548 -9.563 2.856 762 2HB ALA 97 HB1 ALA 97 12.677 -7.843 3.222 763 3HB ALA 97 HB3 ALA 97 13.765 -8.994 3.998 764 H ALA 98 HN ALA 98 9.880 -8.583 3.139 765 HA ALA 98 HA ALA 98 9.325 -5.866 3.408 766 1HB ALA 98 HB3 ALA 98 8.182 -7.902 2.025 767 2HB ALA 98 HB2 ALA 98 6.946 -7.636 3.255 768 3HB ALA 98 HB1 ALA 98 7.435 -6.316 2.195 769 H ALA 99 HN ALA 99 7.744 -8.509 5.245 770 HA ALA 99 HA ALA 99 6.177 -6.927 6.934 771 1HB ALA 99 HB2 ALA 99 7.237 -9.658 6.972 772 2HB ALA 99 HB1 ALA 99 6.997 -8.991 8.587 773 3HB ALA 99 HB3 ALA 99 5.648 -9.065 7.456 774 H GLN 100 HN GLN 100 9.565 -7.952 7.421 775 HA GLN 100 HA GLN 100 10.003 -6.907 9.978 776 1HB GLN 100 HB2 GLN 100 11.647 -7.618 7.693 777 2HB GLN 100 HB1 GLN 100 12.303 -6.207 8.523 778 1HG GLN 100 HG2 GLN 100 13.198 -8.286 9.499 779 2HG GLN 100 HG1 GLN 100 12.196 -7.428 10.671 780 1HE2 GLN 100 HE22 GLN 100 10.846 -10.768 11.009 781 2HE2 GLN 100 HE21 GLN 100 12.086 -9.771 11.600 782 H ALA 101 HN ALA 101 9.275 -5.233 7.068 783 HA ALA 101 HA ALA 101 10.175 -2.627 8.199 784 1HB ALA 101 HB3 ALA 101 10.730 -3.164 5.828 785 2HB ALA 101 HB2 ALA 101 9.006 -3.255 5.470 786 3HB ALA 101 HB1 ALA 101 9.723 -1.723 5.971 787 H GLY 102 HN GLY 102 7.642 -2.206 6.055 788 1HA GLY 102 HA2 GLY 102 5.619 -2.058 8.211 789 2HA GLY 102 HA1 GLY 102 5.822 -0.734 7.072 790 H ALA 103 HN ALA 103 6.498 -3.376 5.353 791 HA ALA 103 HA ALA 103 4.248 -3.347 3.659 792 1HB ALA 103 HB1 ALA 103 6.677 -4.869 3.934 793 2HB ALA 103 HB3 ALA 103 5.340 -5.928 3.494 794 3HB ALA 103 HB2 ALA 103 5.734 -4.539 2.483 795 H SER 104 HN SER 104 3.968 -4.054 6.701 796 HA SER 104 HA SER 104 2.994 -6.427 7.442 797 1HB SER 104 HB2 SER 104 1.648 -3.751 7.761 798 2HB SER 104 HB1 SER 104 0.964 -5.203 8.486 799 HG SER 104 HG SER 104 3.692 -4.738 8.827 800 H GLY 105 HN GLY 105 1.332 -4.471 4.973 801 1HA GLY 105 HA2 GLY 105 -0.667 -6.683 4.671 802 2HA GLY 105 HA1 GLY 105 -0.916 -5.030 4.131 803 OH TYR 106 OH TYR 106 1.437 -13.218 -2.128 804 H TYR 106 HN TYR 106 -0.549 -7.935 2.857 805 HA TYR 106 HA TYR 106 0.770 -6.846 0.439 806 1HB TYR 106 HB2 TYR 106 2.682 -7.979 0.840 807 2HB TYR 106 HB1 TYR 106 1.959 -8.874 2.177 808 HD1 TYR 106 HD1 TYR 106 1.929 -8.718 -1.598 809 HD2 TYR 106 HD2 TYR 106 1.482 -11.153 1.919 810 HE1 TYR 106 HE1 TYR 106 1.762 -10.748 -3.007 811 HE2 TYR 106 HE2 TYR 106 1.316 -13.171 0.504 812 HH TYR 106 HH TYR 106 0.563 -13.596 -2.005 813 H VAL 107 HN VAL 107 -0.531 -7.274 -1.199 814 HA VAL 107 HA VAL 107 -2.288 -9.696 -1.085 815 HB VAL 107 HB VAL 107 -3.472 -7.493 -1.052 816 1HG1 VAL 107 HG11 VAL 107 -1.604 -6.405 -2.408 817 2HG1 VAL 107 HG13 VAL 107 -2.344 -7.126 -3.831 818 3HG1 VAL 107 HG12 VAL 107 -3.241 -5.958 -2.872 819 1HG2 VAL 107 HG21 VAL 107 -3.738 -9.138 -3.594 820 2HG2 VAL 107 HG23 VAL 107 -4.593 -9.403 -2.077 821 3HG2 VAL 107 HG22 VAL 107 -4.927 -7.965 -3.036 822 H VAL 108 HN VAL 108 -2.217 -11.053 -2.908 823 HA VAL 108 HA VAL 108 0.018 -10.505 -4.766 824 HB VAL 108 HB VAL 108 -0.167 -12.756 -3.764 825 1HG1 VAL 108 HG11 VAL 108 -2.871 -12.418 -4.040 826 2HG1 VAL 108 HG13 VAL 108 -2.519 -13.514 -5.375 827 3HG1 VAL 108 HG12 VAL 108 -2.091 -13.967 -3.725 828 1HG2 VAL 108 HG21 VAL 108 0.182 -12.138 -6.474 829 2HG2 VAL 108 HG23 VAL 108 0.671 -13.630 -5.671 830 3HG2 VAL 108 HG22 VAL 108 -0.897 -13.533 -6.471 831 H LYS 109 HN LYS 109 -0.751 -9.026 -6.325 832 HA LYS 109 HA LYS 109 -3.415 -8.941 -7.324 833 1HB LYS 109 HB2 LYS 109 -2.620 -7.074 -8.314 834 2HB LYS 109 HB1 LYS 109 -1.038 -7.495 -7.683 835 1HG LYS 109 HG2 LYS 109 -0.561 -8.818 -9.727 836 2HG LYS 109 HG1 LYS 109 -2.124 -8.331 -10.390 837 1HD LYS 109 HD2 LYS 109 -1.468 -5.982 -10.295 838 2HD LYS 109 HD1 LYS 109 0.070 -6.421 -9.550 839 1HE LYS 109 HE2 LYS 109 -0.756 -7.575 -12.212 840 2HE LYS 109 HE1 LYS 109 0.053 -6.011 -12.107 841 1HZ LYS 109 HZ2 LYS 109 1.767 -7.205 -10.710 842 2HZ LYS 109 HZ1 LYS 109 1.067 -8.656 -11.253 843 3HZ LYS 109 HZ3 LYS 109 1.753 -7.577 -12.368 844 HA PRO 110 HA PRO 110 -4.232 -8.273 -9.479 845 1HB PRO 110 HB2 PRO 110 -6.295 -9.765 -10.791 846 2HB PRO 110 HB1 PRO 110 -5.215 -8.564 -11.515 847 1HG PRO 110 HG2 PRO 110 -5.207 -11.366 -12.015 848 2HG PRO 110 HG1 PRO 110 -4.005 -10.190 -12.564 849 1HD PRO 110 HD2 PRO 110 -3.796 -12.174 -10.398 850 2HD PRO 110 HD1 PRO 110 -2.507 -11.256 -11.205 851 H PHE 111 HN PHE 111 -6.061 -7.772 -8.135 852 HA PHE 111 HA PHE 111 -7.314 -10.103 -6.735 853 1HB PHE 111 HB2 PHE 111 -7.552 -8.565 -4.737 854 2HB PHE 111 HB1 PHE 111 -5.923 -9.128 -5.067 855 HD1 PHE 111 HD1 PHE 111 -8.237 -6.230 -5.820 856 HD2 PHE 111 HD2 PHE 111 -4.194 -7.555 -5.209 857 HE1 PHE 111 HE1 PHE 111 -7.431 -3.912 -5.988 858 HE2 PHE 111 HE2 PHE 111 -3.425 -5.230 -5.344 859 HZ PHE 111 HZ PHE 111 -5.031 -3.397 -5.740 860 H THR 112 HN THR 112 -9.400 -9.703 -5.901 861 HA THR 112 HA THR 112 -10.947 -7.714 -7.497 862 HB THR 112 HB THR 112 -12.414 -9.712 -5.883 863 HG1 THR 112 HG1 THR 112 -10.320 -10.481 -7.353 864 1HG2 THR 112 HG21 THR 112 -13.312 -8.109 -7.659 865 2HG2 THR 112 HG23 THR 112 -12.534 -9.152 -8.850 866 3HG2 THR 112 HG22 THR 112 -13.808 -9.794 -7.815 867 H ALA 113 HN ALA 113 -12.474 -6.374 -6.241 868 HA ALA 113 HA ALA 113 -11.426 -5.294 -3.886 869 1HB ALA 113 HB1 ALA 113 -13.599 -4.710 -5.415 870 2HB ALA 113 HB3 ALA 113 -14.395 -5.396 -3.999 871 3HB ALA 113 HB2 ALA 113 -13.327 -4.005 -3.822 872 H ALA 114 HN ALA 114 -12.822 -8.365 -4.269 873 HA ALA 114 HA ALA 114 -13.727 -8.611 -1.496 874 1HB ALA 114 HB1 ALA 114 -14.721 -9.971 -3.356 875 2HB ALA 114 HB3 ALA 114 -13.172 -10.796 -3.532 876 3HB ALA 114 HB2 ALA 114 -14.098 -10.965 -2.040 877 H THR 115 HN THR 115 -10.909 -9.624 -3.429 878 HA THR 115 HA THR 115 -9.593 -10.910 -1.203 879 HB THR 115 HB THR 115 -7.585 -10.018 -2.935 880 HG1 THR 115 HG1 THR 115 -9.743 -10.946 -4.481 881 1HG2 THR 115 HG22 THR 115 -9.217 -12.566 -2.875 882 2HG2 THR 115 HG21 THR 115 -7.716 -12.381 -3.781 883 3HG2 THR 115 HG23 THR 115 -7.706 -12.252 -2.022 884 H LEU 116 HN LEU 116 -8.869 -7.727 -2.836 885 HA LEU 116 HA LEU 116 -7.104 -6.791 -0.867 886 1HB LEU 116 HB2 LEU 116 -8.280 -5.668 -3.070 887 2HB LEU 116 HB1 LEU 116 -9.066 -4.779 -1.769 888 HG LEU 116 HG LEU 116 -6.780 -4.358 -0.778 889 1HD1 LEU 116 HD13 LEU 116 -6.025 -5.923 -3.185 890 2HD1 LEU 116 HD12 LEU 116 -5.046 -4.499 -2.853 891 3HD1 LEU 116 HD11 LEU 116 -5.195 -5.766 -1.639 892 1HD2 LEU 116 HD21 LEU 116 -8.076 -2.782 -2.387 893 2HD2 LEU 116 HD23 LEU 116 -6.366 -2.466 -2.113 894 3HD2 LEU 116 HD22 LEU 116 -6.883 -3.281 -3.585 895 H GLU 117 HN GLU 117 -10.663 -6.850 -0.778 896 HA GLU 117 HA GLU 117 -10.926 -5.344 1.628 897 1HB GLU 117 HB2 GLU 117 -12.890 -5.649 0.318 898 2HB GLU 117 HB1 GLU 117 -12.691 -7.401 0.299 899 1HG GLU 117 HG2 GLU 117 -13.283 -7.591 2.604 900 2HG GLU 117 HG1 GLU 117 -13.126 -5.852 2.861 901 H GLU 118 HN GLU 118 -10.821 -8.856 1.073 902 HA GLU 118 HA GLU 118 -11.107 -9.731 3.725 903 1HB GLU 118 HB2 GLU 118 -10.837 -11.072 1.490 904 2HB GLU 118 HB1 GLU 118 -9.122 -11.061 1.901 905 1HG GLU 118 HG2 GLU 118 -9.663 -12.030 4.122 906 2HG GLU 118 HG1 GLU 118 -11.365 -12.091 3.664 907 H LYS 119 HN LYS 119 -7.918 -9.569 2.105 908 HA LYS 119 HA LYS 119 -6.288 -9.827 4.317 909 1HB LYS 119 HB2 LYS 119 -6.022 -8.666 1.662 910 2HB LYS 119 HB1 LYS 119 -5.039 -7.796 2.837 911 1HG LYS 119 HG2 LYS 119 -3.692 -9.590 1.944 912 2HG LYS 119 HG1 LYS 119 -4.116 -10.026 3.597 913 1HD LYS 119 HD2 LYS 119 -4.646 -12.006 2.518 914 2HD LYS 119 HD1 LYS 119 -6.195 -11.177 2.381 915 1HE LYS 119 HE2 LYS 119 -5.086 -10.209 0.164 916 2HE LYS 119 HE1 LYS 119 -4.127 -11.684 0.284 917 1HZ LYS 119 HZ2 LYS 119 -6.874 -12.201 0.788 918 2HZ LYS 119 HZ1 LYS 119 -6.674 -11.451 -0.723 919 3HZ LYS 119 HZ3 LYS 119 -5.848 -12.891 -0.377 920 H LEU 120 HN LEU 120 -7.685 -6.750 3.155 921 HA LEU 120 HA LEU 120 -6.543 -5.102 5.169 922 1HB LEU 120 HB2 LEU 120 -7.941 -4.531 2.996 923 2HB LEU 120 HB1 LEU 120 -9.310 -4.589 4.096 924 HG LEU 120 HG LEU 120 -6.920 -2.929 4.874 925 1HD1 LEU 120 HD11 LEU 120 -8.834 -2.390 2.642 926 2HD1 LEU 120 HD13 LEU 120 -8.353 -1.047 3.678 927 3HD1 LEU 120 HD12 LEU 120 -7.131 -1.956 2.789 928 1HD2 LEU 120 HD23 LEU 120 -9.923 -2.628 5.209 929 2HD2 LEU 120 HD22 LEU 120 -8.814 -3.238 6.437 930 3HD2 LEU 120 HD21 LEU 120 -8.703 -1.562 5.903 931 H ASN 121 HN ASN 121 -9.642 -6.845 5.084 932 HA ASN 121 HA ASN 121 -10.557 -5.932 7.642 933 1HB ASN 121 HB2 ASN 121 -11.518 -7.626 5.593 934 2HB ASN 121 HB1 ASN 121 -11.500 -8.598 7.064 935 1HD2 ASN 121 HD22 ASN 121 -14.212 -6.882 8.526 936 2HD2 ASN 121 HD21 ASN 121 -13.092 -8.152 8.646 937 H LYS 122 HN LYS 122 -8.521 -8.660 6.686 938 HA LYS 122 HA LYS 122 -8.554 -9.917 9.290 939 1HB LYS 122 HB2 LYS 122 -7.873 -10.977 7.049 940 2HB LYS 122 HB1 LYS 122 -6.323 -10.163 7.272 941 1HG LYS 122 HG2 LYS 122 -6.712 -11.304 9.740 942 2HG LYS 122 HG1 LYS 122 -7.430 -12.509 8.673 943 1HD LYS 122 HD2 LYS 122 -5.163 -13.145 8.773 944 2HD LYS 122 HD1 LYS 122 -5.268 -12.243 7.262 945 1HE LYS 122 HE2 LYS 122 -4.743 -10.218 8.998 946 2HE LYS 122 HE1 LYS 122 -3.891 -11.541 9.791 947 1HZ LYS 122 HZ1 LYS 122 -2.883 -12.022 7.563 948 2HZ LYS 122 HZ3 LYS 122 -3.521 -10.545 7.025 949 3HZ LYS 122 HZ2 LYS 122 -2.382 -10.568 8.286 950 H ILE 123 HN ILE 123 -6.522 -7.472 7.759 951 HA ILE 123 HA ILE 123 -4.587 -7.465 9.952 952 HB ILE 123 HB ILE 123 -5.030 -5.815 7.482 953 1HG1 ILE 123 HG12 ILE 123 -2.565 -7.186 8.599 954 2HG1 ILE 123 HG11 ILE 123 -3.715 -7.979 7.524 955 1HG2 ILE 123 HG21 ILE 123 -3.434 -5.059 9.932 956 2HG2 ILE 123 HG23 ILE 123 -2.933 -4.516 8.332 957 3HG2 ILE 123 HG22 ILE 123 -4.508 -4.049 8.963 958 1HD1 ILE 123 HD11 ILE 123 -3.005 -5.435 6.397 959 2HD1 ILE 123 HD13 ILE 123 -1.531 -6.310 6.805 960 3HD1 ILE 123 HD12 ILE 123 -2.725 -7.045 5.736 961 H PHE 124 HN PHE 124 -7.308 -5.423 8.911 962 HA PHE 124 HA PHE 124 -6.926 -3.422 10.903 963 1HB PHE 124 HB2 PHE 124 -9.177 -4.251 9.127 964 2HB PHE 124 HB1 PHE 124 -9.542 -3.188 10.489 965 HD1 PHE 124 HD2 PHE 124 -6.630 -3.532 8.146 966 HD2 PHE 124 HD1 PHE 124 -9.617 -0.943 9.829 967 HE1 PHE 124 HE2 PHE 124 -5.646 -1.612 6.935 968 HE2 PHE 124 HE1 PHE 124 -8.628 0.980 8.611 969 HZ PHE 124 HZ PHE 124 -6.649 0.633 7.168 970 H GLU 125 HN GLU 125 -8.294 -6.623 11.078 971 HA GLU 125 HA GLU 125 -9.887 -6.308 13.422 972 1HB GLU 125 HB2 GLU 125 -9.081 -8.457 11.828 973 2HB GLU 125 HB1 GLU 125 -8.343 -8.796 13.393 974 1HG GLU 125 HG2 GLU 125 -10.540 -9.777 13.430 975 2HG GLU 125 HG1 GLU 125 -10.602 -8.336 14.445 976 H LYS 126 HN LYS 126 -6.445 -6.475 12.885 977 HA LYS 126 HA LYS 126 -5.801 -6.702 15.741 978 1HB LYS 126 HB2 LYS 126 -4.408 -7.101 13.305 979 2HB LYS 126 HB1 LYS 126 -3.624 -5.736 14.090 980 1HG LYS 126 HG2 LYS 126 -2.492 -7.649 14.928 981 2HG LYS 126 HG1 LYS 126 -3.584 -7.168 16.223 982 1HD LYS 126 HD2 LYS 126 -5.128 -8.921 15.702 983 2HD LYS 126 HD1 LYS 126 -4.350 -9.245 14.153 984 1HE LYS 126 HE2 LYS 126 -2.658 -9.467 16.596 985 2HE LYS 126 HE1 LYS 126 -3.853 -10.734 16.323 986 1HZ LYS 126 HZ3 LYS 126 -2.668 -10.273 13.879 987 2HZ LYS 126 HZ2 LYS 126 -1.388 -10.285 14.996 988 3HZ LYS 126 HZ1 LYS 126 -2.437 -11.618 14.887 989 H LEU 127 HN LEU 127 -6.210 -4.235 13.297 990 HA LEU 127 HA LEU 127 -4.967 -2.081 14.761 991 1HB LEU 127 HB2 LEU 127 -5.454 -2.021 12.291 992 2HB LEU 127 HB1 LEU 127 -7.171 -1.922 12.675 993 HG LEU 127 HG LEU 127 -6.742 0.165 13.965 994 1HD1 LEU 127 HD13 LEU 127 -3.935 -0.512 13.192 995 2HD1 LEU 127 HD12 LEU 127 -4.391 1.191 13.205 996 3HD1 LEU 127 HD11 LEU 127 -4.547 0.226 14.672 997 1HD2 LEU 127 HD21 LEU 127 -6.269 -0.164 11.059 998 2HD2 LEU 127 HD23 LEU 127 -7.440 0.850 11.903 999 3HD2 LEU 127 HD22 LEU 127 -5.768 1.385 11.737 1000 H GLY 128 HN GLY 128 -8.016 -3.714 14.976 1001 1HA GLY 128 HA2 GLY 128 -9.418 -3.524 16.930 1002 2HA GLY 128 HA1 GLY 128 -8.789 -1.898 17.194 1003 H MET 129 HN MET 129 -9.420 -2.285 13.938 1004 HA MET 129 HA MET 129 -11.932 -0.726 14.202 1005 1HB MET 129 HB2 MET 129 -9.799 -1.007 12.161 1006 2HB MET 129 HB1 MET 129 -11.434 -0.787 11.533 1007 1HG MET 129 HG2 MET 129 -10.230 0.989 13.669 1008 2HG MET 129 HG1 MET 129 -10.154 1.363 11.948 1009 1HE MET 129 HE1 MET 129 -11.462 2.905 14.524 1010 2HE MET 129 HE3 MET 129 -13.211 2.715 14.709 1011 3HE MET 129 HE2 MET 129 -12.125 1.405 15.168 Start of MODEL 29 Raw file had 1011 H/Q atoms Start of MODEL 29 1 H ALA 2 HN ALA 2 -14.762 -0.094 8.266 2 HA ALA 2 HA ALA 2 -13.318 1.066 9.721 3 1HB ALA 2 HB2 ALA 2 -11.918 -0.795 8.462 4 2HB ALA 2 HB1 ALA 2 -11.119 0.595 7.732 5 3HB ALA 2 HB3 ALA 2 -11.104 0.390 9.483 6 H ASP 3 HN ASP 3 -14.162 3.201 9.427 7 HA ASP 3 HA ASP 3 -13.961 5.481 8.906 8 1HB ASP 3 HB2 ASP 3 -11.351 4.508 9.126 9 2HB ASP 3 HB1 ASP 3 -11.365 5.362 7.583 10 H LYS 4 HN LYS 4 -14.806 6.561 7.167 11 HA LYS 4 HA LYS 4 -14.837 5.157 4.570 12 1HB LYS 4 HB2 LYS 4 -16.273 7.621 5.584 13 2HB LYS 4 HB1 LYS 4 -16.447 6.998 3.946 14 1HG LYS 4 HG2 LYS 4 -16.780 4.841 5.832 15 2HG LYS 4 HG1 LYS 4 -17.856 6.169 6.264 16 1HD LYS 4 HD2 LYS 4 -18.848 6.187 4.072 17 2HD LYS 4 HD1 LYS 4 -17.637 5.066 3.450 18 1HE LYS 4 HE2 LYS 4 -18.616 3.239 4.438 19 2HE LYS 4 HE1 LYS 4 -19.210 4.169 5.813 20 1HZ LYS 4 HZ1 LYS 4 -20.463 5.137 3.517 21 2HZ LYS 4 HZ3 LYS 4 -20.581 3.445 3.475 22 3HZ LYS 4 HZ2 LYS 4 -21.166 4.302 4.820 23 H GLU 5 HN GLU 5 -12.591 7.022 5.924 24 HA GLU 5 HA GLU 5 -11.820 8.191 3.310 25 1HB GLU 5 HB2 GLU 5 -11.689 9.910 5.786 26 2HB GLU 5 HB1 GLU 5 -11.569 10.404 4.098 27 1HG GLU 5 HG2 GLU 5 -13.953 9.745 3.773 28 2HG GLU 5 HG1 GLU 5 -14.056 9.370 5.495 29 H LEU 6 HN LEU 6 -10.545 5.986 4.495 30 HA LEU 6 HA LEU 6 -8.314 6.905 6.102 31 1HB LEU 6 HB2 LEU 6 -9.196 4.583 6.239 32 2HB LEU 6 HB1 LEU 6 -8.671 4.309 4.582 33 HG LEU 6 HG LEU 6 -6.327 4.771 5.258 34 1HD1 LEU 6 HD11 LEU 6 -7.685 5.346 7.854 35 2HD1 LEU 6 HD13 LEU 6 -6.085 4.604 7.892 36 3HD1 LEU 6 HD12 LEU 6 -6.315 6.160 7.097 37 1HD2 LEU 6 HD21 LEU 6 -8.000 2.597 6.375 38 2HD2 LEU 6 HD23 LEU 6 -6.576 2.503 5.342 39 3HD2 LEU 6 HD22 LEU 6 -6.391 2.764 7.078 40 H LYS 7 HN LYS 7 -6.702 8.120 5.178 41 HA LYS 7 HA LYS 7 -6.433 8.576 2.409 42 1HB LYS 7 HB2 LYS 7 -4.890 9.180 4.820 43 2HB LYS 7 HB1 LYS 7 -3.885 9.003 3.382 44 1HG LYS 7 HG2 LYS 7 -5.315 10.614 2.176 45 2HG LYS 7 HG1 LYS 7 -6.318 10.801 3.614 46 1HD LYS 7 HD2 LYS 7 -3.360 11.236 3.850 47 2HD LYS 7 HD1 LYS 7 -4.348 12.501 3.122 48 1HE LYS 7 HE2 LYS 7 -5.444 12.971 5.089 49 2HE LYS 7 HE1 LYS 7 -5.337 11.310 5.671 50 1HZ LYS 7 HZ1 LYS 7 -2.742 12.167 5.494 51 2HZ LYS 7 HZ3 LYS 7 -3.575 13.500 6.130 52 3HZ LYS 7 HZ2 LYS 7 -3.655 11.996 6.916 53 H PHE 8 HN PHE 8 -5.780 7.247 0.805 54 HA PHE 8 HA PHE 8 -3.862 5.049 1.436 55 1HB PHE 8 HB2 PHE 8 -5.889 5.376 -0.806 56 2HB PHE 8 HB1 PHE 8 -4.665 4.126 -0.796 57 HD1 PHE 8 HD2 PHE 8 -7.649 5.419 0.922 58 HD2 PHE 8 HD1 PHE 8 -4.904 2.159 0.560 59 HE1 PHE 8 HE2 PHE 8 -9.130 4.015 2.326 60 HE2 PHE 8 HE1 PHE 8 -6.411 0.733 1.946 61 HZ PHE 8 HZ PHE 8 -8.518 1.670 2.835 62 H LEU 9 HN LEU 9 -1.972 4.926 0.156 63 HA LEU 9 HA LEU 9 -1.637 7.143 -1.826 64 1HB LEU 9 HB2 LEU 9 -0.106 7.368 0.132 65 2HB LEU 9 HB1 LEU 9 0.561 5.796 -0.250 66 HG LEU 9 HG LEU 9 1.198 6.639 -2.509 67 1HD1 LEU 9 HD11 LEU 9 -0.270 9.020 -1.487 68 2HD1 LEU 9 HD13 LEU 9 1.179 9.326 -2.443 69 3HD1 LEU 9 HD12 LEU 9 -0.149 8.392 -3.130 70 1HD2 LEU 9 HD21 LEU 9 2.543 6.972 -0.216 71 2HD2 LEU 9 HD23 LEU 9 3.152 7.557 -1.761 72 3HD2 LEU 9 HD22 LEU 9 2.330 8.664 -0.665 73 H VAL 10 HN VAL 10 -1.782 6.269 -3.831 74 HA VAL 10 HA VAL 10 -0.870 3.466 -4.232 75 HB VAL 10 HB VAL 10 -2.071 4.953 -6.495 76 1HG1 VAL 10 HG11 VAL 10 -1.542 2.424 -6.222 77 2HG1 VAL 10 HG13 VAL 10 -2.986 2.382 -5.210 78 3HG1 VAL 10 HG12 VAL 10 -3.107 2.873 -6.900 79 1HG2 VAL 10 HG21 VAL 10 -3.547 4.418 -3.900 80 2HG2 VAL 10 HG23 VAL 10 -3.410 5.944 -4.765 81 3HG2 VAL 10 HG22 VAL 10 -4.373 4.636 -5.443 82 H VAL 11 HN VAL 11 1.366 3.632 -4.418 83 HA VAL 11 HA VAL 11 2.524 5.671 -6.158 84 HB VAL 11 HB VAL 11 3.943 3.436 -4.688 85 1HG1 VAL 11 HG13 VAL 11 4.804 5.692 -6.356 86 2HG1 VAL 11 HG12 VAL 11 5.576 5.675 -4.772 87 3HG1 VAL 11 HG11 VAL 11 5.705 4.273 -5.830 88 1HG2 VAL 11 HG23 VAL 11 2.556 4.860 -3.162 89 2HG2 VAL 11 HG22 VAL 11 4.284 4.994 -2.857 90 3HG2 VAL 11 HG21 VAL 11 3.445 6.270 -3.734 91 H ASP 12 HN ASP 12 1.762 4.952 -8.237 92 HA ASP 12 HA ASP 12 3.333 2.698 -9.324 93 1HB ASP 12 HB2 ASP 12 0.877 2.061 -8.460 94 2HB ASP 12 HB1 ASP 12 0.440 2.697 -10.047 95 H ASP 13 HN ASP 13 3.958 3.126 -11.408 96 HA ASP 13 HA ASP 13 3.075 5.679 -12.588 97 1HB ASP 13 HB2 ASP 13 5.062 3.675 -13.696 98 2HB ASP 13 HB1 ASP 13 4.891 5.370 -14.152 99 H PHE 14 HN PHE 14 1.846 2.636 -12.588 100 HA PHE 14 HA PHE 14 1.352 2.136 -15.374 101 1HB PHE 14 HB2 PHE 14 0.711 0.901 -12.897 102 2HB PHE 14 HB1 PHE 14 -0.812 1.172 -13.742 103 HD1 PHE 14 HD1 PHE 14 2.691 0.066 -14.518 104 HD2 PHE 14 HD2 PHE 14 -1.509 -0.477 -15.244 105 HE1 PHE 14 HE1 PHE 14 3.198 -1.833 -16.028 106 HE2 PHE 14 HE2 PHE 14 -1.001 -2.377 -16.754 107 HZ PHE 14 HZ PHE 14 1.352 -3.055 -17.146 108 H SER 15 HN SER 15 -0.326 2.836 -16.694 109 HA SER 15 HA SER 15 -1.859 5.161 -15.699 110 1HB SER 15 HB2 SER 15 -2.151 4.115 -18.485 111 2HB SER 15 HB1 SER 15 -2.107 5.781 -17.915 112 HG SER 15 HG SER 15 0.107 5.568 -17.600 113 H THR 16 HN THR 16 -2.402 2.183 -15.072 114 HA THR 16 HA THR 16 -5.329 2.360 -15.566 115 HB THR 16 HB THR 16 -5.507 0.344 -16.667 116 HG1 THR 16 HG1 THR 16 -4.674 -1.235 -15.586 117 1HG2 THR 16 HG21 THR 16 -3.990 1.820 -18.007 118 2HG2 THR 16 HG23 THR 16 -2.610 0.986 -17.292 119 3HG2 THR 16 HG22 THR 16 -3.740 0.104 -18.317 120 H MET 17 HN MET 17 -2.613 1.145 -13.729 121 HA MET 17 HA MET 17 -4.064 -0.496 -11.889 122 1HB MET 17 HB2 MET 17 -1.567 -0.462 -12.122 123 2HB MET 17 HB1 MET 17 -1.555 1.113 -11.330 124 1HG MET 17 HG2 MET 17 -1.473 0.018 -9.360 125 2HG MET 17 HG1 MET 17 -3.127 -0.507 -9.667 126 1HE MET 17 HE3 MET 17 -2.923 -2.371 -8.252 127 2HE MET 17 HE2 MET 17 -3.739 -3.027 -9.667 128 3HE MET 17 HE1 MET 17 -2.486 -3.971 -8.865 129 NH1 ARG 18 NH2 ARG 18 -3.199 9.452 -12.794 130 NH2 ARG 18 NH1 ARG 18 -5.161 9.636 -13.903 131 H ARG 18 HN ARG 18 -2.861 2.858 -11.423 132 HA ARG 18 HA ARG 18 -4.088 3.423 -8.993 133 1HB ARG 18 HB2 ARG 18 -3.345 5.498 -9.432 134 2HB ARG 18 HB1 ARG 18 -2.871 4.924 -11.020 135 1HG ARG 18 HG2 ARG 18 -5.124 5.547 -11.890 136 2HG ARG 18 HG1 ARG 18 -5.529 6.198 -10.295 137 1HD ARG 18 HD2 ARG 18 -3.862 7.886 -10.457 138 2HD ARG 18 HD1 ARG 18 -3.104 7.107 -11.847 139 HE ARG 18 HE ARG 18 -5.878 7.872 -12.335 140 1HH1 ARG 18 HH21 ARG 18 -2.639 9.011 -12.095 141 2HH1 ARG 18 HH22 ARG 18 -2.819 10.195 -13.345 142 1HH2 ARG 18 HH11 ARG 18 -6.103 9.334 -14.052 143 2HH2 ARG 18 HH12 ARG 18 -4.781 10.379 -14.453 144 NH1 ARG 19 NH1 ARG 19 -10.447 3.465 -16.131 145 NH2 ARG 19 NH2 ARG 19 -9.107 4.486 -17.639 146 H ARG 19 HN ARG 19 -5.564 3.325 -12.193 147 HA ARG 19 HA ARG 19 -8.036 4.436 -11.303 148 1HB ARG 19 HB2 ARG 19 -7.743 2.549 -13.645 149 2HB ARG 19 HB1 ARG 19 -8.904 3.862 -13.450 150 1HG ARG 19 HG2 ARG 19 -6.989 5.481 -13.449 151 2HG ARG 19 HG1 ARG 19 -5.908 4.137 -13.816 152 1HD ARG 19 HD2 ARG 19 -7.712 5.598 -15.590 153 2HD ARG 19 HD1 ARG 19 -6.360 4.542 -15.994 154 HE ARG 19 HE ARG 19 -8.063 2.637 -15.478 155 1HH1 ARG 19 HH11 ARG 19 -10.561 2.967 -15.271 156 2HH1 ARG 19 HH12 ARG 19 -11.245 3.679 -16.694 157 1HH2 ARG 19 HH21 ARG 19 -8.195 4.770 -17.934 158 2HH2 ARG 19 HH22 ARG 19 -9.905 4.700 -18.203 159 H ILE 20 HN ILE 20 -6.832 1.128 -11.639 160 HA ILE 20 HA ILE 20 -9.256 -0.253 -11.101 161 HB ILE 20 HB ILE 20 -6.346 -0.876 -10.928 162 1HG1 ILE 20 HG12 ILE 20 -8.655 -2.480 -12.046 163 2HG1 ILE 20 HG11 ILE 20 -7.874 -1.179 -12.947 164 1HG2 ILE 20 HG23 ILE 20 -8.496 -2.429 -9.469 165 2HG2 ILE 20 HG22 ILE 20 -7.008 -3.190 -10.027 166 3HG2 ILE 20 HG21 ILE 20 -6.934 -1.882 -8.850 167 1HD1 ILE 20 HD13 ILE 20 -6.464 -3.616 -11.818 168 2HD1 ILE 20 HD12 ILE 20 -6.897 -3.383 -13.512 169 3HD1 ILE 20 HD11 ILE 20 -5.707 -2.325 -12.751 170 H VAL 21 HN VAL 21 -6.622 0.577 -8.816 171 HA VAL 21 HA VAL 21 -8.095 -0.280 -6.522 172 HB VAL 21 HB VAL 21 -6.235 1.762 -5.775 173 1HG1 VAL 21 HG11 VAL 21 -6.111 -1.270 -5.760 174 2HG1 VAL 21 HG13 VAL 21 -5.041 -0.210 -4.842 175 3HG1 VAL 21 HG12 VAL 21 -6.767 -0.252 -4.478 176 1HG2 VAL 21 HG22 VAL 21 -5.251 -0.187 -7.889 177 2HG2 VAL 21 HG21 VAL 21 -5.309 1.569 -8.041 178 3HG2 VAL 21 HG23 VAL 21 -4.211 0.819 -6.883 179 NH1 ARG 22 NH1 ARG 22 -8.404 9.311 -10.719 180 NH2 ARG 22 NH2 ARG 22 -10.638 9.046 -10.935 181 H ARG 22 HN ARG 22 -7.908 2.850 -8.163 182 HA ARG 22 HA ARG 22 -9.042 4.510 -6.188 183 1HB ARG 22 HB2 ARG 22 -8.819 4.527 -9.107 184 2HB ARG 22 HB1 ARG 22 -10.275 5.336 -8.534 185 1HG ARG 22 HG2 ARG 22 -8.972 6.780 -7.082 186 2HG ARG 22 HG1 ARG 22 -7.493 5.899 -7.467 187 1HD ARG 22 HD2 ARG 22 -7.467 7.867 -8.831 188 2HD ARG 22 HD1 ARG 22 -7.895 6.534 -9.903 189 HE ARG 22 HE ARG 22 -10.322 7.600 -8.934 190 1HH1 ARG 22 HH11 ARG 22 -7.542 9.067 -10.276 191 2HH1 ARG 22 HH12 ARG 22 -8.417 10.003 -11.441 192 1HH2 ARG 22 HH21 ARG 22 -11.488 8.597 -10.656 193 2HH2 ARG 22 HH22 ARG 22 -10.650 9.737 -11.656 194 H ASN 23 HN ASN 23 -10.763 2.647 -8.700 195 HA ASN 23 HA ASN 23 -13.393 3.188 -7.697 196 1HB ASN 23 HB2 ASN 23 -12.200 2.001 -9.906 197 2HB ASN 23 HB1 ASN 23 -13.015 0.682 -9.111 198 1HD2 ASN 23 HD22 ASN 23 -16.230 1.746 -10.099 199 2HD2 ASN 23 HD21 ASN 23 -15.276 0.531 -9.396 200 H LEU 24 HN LEU 24 -11.398 0.260 -7.665 201 HA LEU 24 HA LEU 24 -12.895 -1.492 -6.181 202 1HB LEU 24 HB2 LEU 24 -10.464 -1.634 -7.087 203 2HB LEU 24 HB1 LEU 24 -10.010 -1.019 -5.511 204 HG LEU 24 HG LEU 24 -11.845 -3.175 -5.077 205 1HD1 LEU 24 HD13 LEU 24 -9.641 -3.793 -7.069 206 2HD1 LEU 24 HD12 LEU 24 -10.501 -5.021 -6.145 207 3HD1 LEU 24 HD11 LEU 24 -11.374 -4.015 -7.298 208 1HD2 LEU 24 HD22 LEU 24 -8.915 -2.687 -4.573 209 2HD2 LEU 24 HD21 LEU 24 -10.230 -2.864 -3.418 210 3HD2 LEU 24 HD23 LEU 24 -9.604 -4.271 -4.266 211 H LEU 25 HN LEU 25 -10.618 0.845 -4.664 212 HA LEU 25 HA LEU 25 -11.459 0.381 -1.978 213 1HB LEU 25 HB2 LEU 25 -10.131 2.677 -3.397 214 2HB LEU 25 HB1 LEU 25 -10.647 2.868 -1.724 215 HG LEU 25 HG LEU 25 -9.079 0.425 -2.472 216 1HD1 LEU 25 HD13 LEU 25 -8.037 3.243 -2.279 217 2HD1 LEU 25 HD12 LEU 25 -7.024 1.885 -1.789 218 3HD1 LEU 25 HD11 LEU 25 -7.621 1.988 -3.445 219 1HD2 LEU 25 HD21 LEU 25 -9.216 2.213 -0.019 220 2HD2 LEU 25 HD23 LEU 25 -9.974 0.632 -0.198 221 3HD2 LEU 25 HD22 LEU 25 -8.219 0.768 -0.155 222 H LYS 26 HN LYS 26 -12.514 2.861 -4.321 223 HA LYS 26 HA LYS 26 -14.420 4.113 -2.675 224 1HB LYS 26 HB2 LYS 26 -13.569 4.731 -5.062 225 2HB LYS 26 HB1 LYS 26 -14.895 3.713 -5.619 226 1HG LYS 26 HG2 LYS 26 -16.505 5.065 -4.369 227 2HG LYS 26 HG1 LYS 26 -15.203 6.054 -3.711 228 1HD LYS 26 HD2 LYS 26 -15.836 5.778 -6.666 229 2HD LYS 26 HD1 LYS 26 -16.337 7.133 -5.657 230 1HE LYS 26 HE2 LYS 26 -13.702 7.145 -5.090 231 2HE LYS 26 HE1 LYS 26 -13.634 6.449 -6.709 232 1HZ LYS 26 HZ3 LYS 26 -15.202 8.883 -6.115 233 2HZ LYS 26 HZ2 LYS 26 -13.558 8.956 -6.535 234 3HZ LYS 26 HZ1 LYS 26 -14.688 8.305 -7.625 235 H GLU 27 HN GLU 27 -14.572 1.079 -4.430 236 HA GLU 27 HA GLU 27 -17.373 0.714 -4.447 237 1HB GLU 27 HB2 GLU 27 -15.132 -0.825 -5.128 238 2HB GLU 27 HB1 GLU 27 -15.958 -1.760 -3.881 239 1HG GLU 27 HG2 GLU 27 -18.070 -1.586 -5.132 240 2HG GLU 27 HG1 GLU 27 -17.265 -0.625 -6.372 241 H LEU 28 HN LEU 28 -14.983 0.380 -1.904 242 HA LEU 28 HA LEU 28 -16.828 -0.935 -0.055 243 1HB LEU 28 HB2 LEU 28 -14.008 -0.153 -0.082 244 2HB LEU 28 HB1 LEU 28 -14.785 0.170 1.469 245 HG LEU 28 HG LEU 28 -15.614 -2.156 1.539 246 1HD1 LEU 28 HD12 LEU 28 -14.784 -2.066 -1.238 247 2HD1 LEU 28 HD11 LEU 28 -14.022 -3.422 -0.406 248 3HD1 LEU 28 HD13 LEU 28 -15.779 -3.267 -0.415 249 1HD2 LEU 28 HD21 LEU 28 -12.635 -1.937 0.998 250 2HD2 LEU 28 HD23 LEU 28 -13.423 -1.623 2.544 251 3HD2 LEU 28 HD22 LEU 28 -13.422 -3.253 1.870 252 H GLY 29 HN GLY 29 -15.135 2.197 0.196 253 1HA GLY 29 HA2 GLY 29 -17.272 3.920 0.391 254 2HA GLY 29 HA1 GLY 29 -17.128 3.226 1.999 255 H PHE 30 HN PHE 30 -14.308 3.740 -0.034 256 HA PHE 30 HA PHE 30 -13.309 5.670 1.994 257 1HB PHE 30 HB2 PHE 30 -11.936 4.044 -0.157 258 2HB PHE 30 HB1 PHE 30 -11.107 5.298 0.760 259 HD1 PHE 30 HD1 PHE 30 -11.555 5.139 3.420 260 HD2 PHE 30 HD2 PHE 30 -11.774 1.866 0.652 261 HE1 PHE 30 HE1 PHE 30 -11.146 3.541 5.275 262 HE2 PHE 30 HE2 PHE 30 -11.379 0.269 2.507 263 HZ PHE 30 HZ PHE 30 -11.061 1.109 4.817 264 H ASN 31 HN ASN 31 -12.392 7.706 1.315 265 HA ASN 31 HA ASN 31 -12.803 8.523 -1.495 266 1HB ASN 31 HB2 ASN 31 -14.970 8.962 -0.310 267 2HB ASN 31 HB1 ASN 31 -14.104 10.031 0.790 268 1HD2 ASN 31 HD22 ASN 31 -14.532 12.718 -1.432 269 2HD2 ASN 31 HD21 ASN 31 -14.534 12.152 0.168 270 H ASN 32 HN ASN 32 -10.337 8.303 -0.650 271 HA ASN 32 HA ASN 32 -9.269 10.965 -0.653 272 1HB ASN 32 HB2 ASN 32 -10.114 10.254 1.872 273 2HB ASN 32 HB1 ASN 32 -8.424 9.758 1.900 274 1HD2 ASN 32 HD22 ASN 32 -7.357 13.214 1.075 275 2HD2 ASN 32 HD21 ASN 32 -7.118 11.666 0.420 276 H VAL 33 HN VAL 33 -7.797 10.249 -2.195 277 HA VAL 33 HA VAL 33 -5.658 8.459 -1.213 278 HB VAL 33 HB VAL 33 -7.051 6.816 -2.205 279 1HG1 VAL 33 HG11 VAL 33 -7.745 9.058 -3.998 280 2HG1 VAL 33 HG13 VAL 33 -7.672 7.477 -4.777 281 3HG1 VAL 33 HG12 VAL 33 -8.751 7.736 -3.406 282 1HG2 VAL 33 HG23 VAL 33 -4.610 7.046 -3.078 283 2HG2 VAL 33 HG22 VAL 33 -5.712 5.994 -3.961 284 3HG2 VAL 33 HG21 VAL 33 -5.360 7.611 -4.569 285 H GLU 34 HN GLU 34 -3.675 8.651 -2.485 286 HA GLU 34 HA GLU 34 -3.695 10.918 -4.449 287 1HB GLU 34 HB2 GLU 34 -2.040 10.445 -2.029 288 2HB GLU 34 HB1 GLU 34 -1.216 11.112 -3.434 289 1HG GLU 34 HG2 GLU 34 -3.795 12.268 -2.354 290 2HG GLU 34 HG1 GLU 34 -2.206 12.833 -1.836 291 H GLU 35 HN GLU 35 -1.073 10.730 -5.282 292 HA GLU 35 HA GLU 35 -0.564 7.903 -5.970 293 1HB GLU 35 HB2 GLU 35 -2.190 9.130 -7.663 294 2HB GLU 35 HB1 GLU 35 -0.685 9.828 -8.262 295 1HG GLU 35 HG2 GLU 35 0.127 7.295 -8.135 296 2HG GLU 35 HG1 GLU 35 -1.602 6.983 -8.301 297 H ALA 36 HN ALA 36 1.581 7.531 -6.559 298 HA ALA 36 HA ALA 36 3.387 9.885 -6.814 299 1HB ALA 36 HB1 ALA 36 3.155 8.476 -4.436 300 2HB ALA 36 HB3 ALA 36 4.547 7.725 -5.216 301 3HB ALA 36 HB2 ALA 36 4.535 9.462 -4.913 302 H GLU 37 HN GLU 37 5.791 8.553 -7.029 303 HA GLU 37 HA GLU 37 5.338 6.402 -9.038 304 1HB GLU 37 HB2 GLU 37 7.264 7.713 -10.330 305 2HB GLU 37 HB1 GLU 37 5.559 8.093 -10.582 306 1HG GLU 37 HG2 GLU 37 5.662 9.955 -9.073 307 2HG GLU 37 HG1 GLU 37 7.264 9.483 -8.506 308 H ASP 38 HN ASP 38 6.886 7.162 -6.249 309 HA ASP 38 HA ASP 38 8.691 4.980 -6.405 310 1HB ASP 38 HB2 ASP 38 10.821 6.573 -6.332 311 2HB ASP 38 HB1 ASP 38 10.177 5.986 -7.864 312 H GLY 39 HN GLY 39 10.617 5.475 -4.657 313 1HA GLY 39 HA2 GLY 39 9.211 5.937 -2.177 314 2HA GLY 39 HA1 GLY 39 10.950 5.697 -2.343 315 H VAL 40 HN VAL 40 11.521 7.825 -4.105 316 HA VAL 40 HA VAL 40 11.822 9.989 -2.278 317 HB VAL 40 HB VAL 40 11.857 10.113 -5.307 318 1HG1 VAL 40 HG12 VAL 40 12.961 11.874 -3.109 319 2HG1 VAL 40 HG11 VAL 40 13.554 11.951 -4.768 320 3HG1 VAL 40 HG13 VAL 40 11.867 12.328 -4.416 321 1HG2 VAL 40 HG22 VAL 40 13.335 8.334 -4.314 322 2HG2 VAL 40 HG21 VAL 40 14.228 9.607 -5.148 323 3HG2 VAL 40 HG23 VAL 40 14.147 9.595 -3.387 324 H ASP 41 HN ASP 41 9.375 9.303 -4.745 325 HA ASP 41 HA ASP 41 8.042 11.877 -4.381 326 1HB ASP 41 HB2 ASP 41 8.037 10.289 -6.450 327 2HB ASP 41 HB1 ASP 41 6.769 9.432 -5.583 328 H ALA 42 HN ALA 42 7.413 8.505 -3.422 329 HA ALA 42 HA ALA 42 4.967 8.993 -2.055 330 1HB ALA 42 HB3 ALA 42 5.793 6.745 -2.654 331 2HB ALA 42 HB2 ALA 42 7.088 6.912 -1.473 332 3HB ALA 42 HB1 ALA 42 5.410 6.846 -0.936 333 H LEU 43 HN LEU 43 8.329 9.015 -0.861 334 HA LEU 43 HA LEU 43 7.638 9.537 1.873 335 1HB LEU 43 HB2 LEU 43 10.119 9.795 0.215 336 2HB LEU 43 HB1 LEU 43 10.076 10.581 1.793 337 HG LEU 43 HG LEU 43 9.132 7.749 1.610 338 1HD1 LEU 43 HD11 LEU 43 12.019 8.656 1.487 339 2HD1 LEU 43 HD13 LEU 43 11.541 7.050 2.037 340 3HD1 LEU 43 HD12 LEU 43 11.188 7.558 0.386 341 1HD2 LEU 43 HD21 LEU 43 9.222 9.400 3.664 342 2HD2 LEU 43 HD23 LEU 43 9.689 7.712 3.878 343 3HD2 LEU 43 HD22 LEU 43 10.928 8.954 3.696 344 H ASN 44 HN ASN 44 8.331 11.674 -0.883 345 HA ASN 44 HA ASN 44 8.202 14.096 0.711 346 1HB ASN 44 HB2 ASN 44 8.500 13.390 -2.138 347 2HB ASN 44 HB1 ASN 44 7.674 14.918 -1.841 348 1HD2 ASN 44 HD22 ASN 44 11.647 14.794 -1.443 349 2HD2 ASN 44 HD21 ASN 44 10.740 13.595 -2.230 350 H LYS 45 HN LYS 45 5.823 12.077 -0.858 351 HA LYS 45 HA LYS 45 3.779 14.201 -0.744 352 1HB LYS 45 HB2 LYS 45 4.062 11.623 -2.082 353 2HB LYS 45 HB1 LYS 45 2.472 11.828 -1.351 354 1HG LYS 45 HG2 LYS 45 2.219 14.001 -2.482 355 2HG LYS 45 HG1 LYS 45 3.813 13.811 -3.212 356 1HD LYS 45 HD2 LYS 45 3.043 11.755 -4.351 357 2HD LYS 45 HD1 LYS 45 1.445 11.964 -3.635 358 1HE LYS 45 HE2 LYS 45 1.149 12.966 -5.721 359 2HE LYS 45 HE1 LYS 45 1.579 14.354 -4.722 360 1HZ LYS 45 HZ1 LYS 45 3.904 13.063 -5.702 361 2HZ LYS 45 HZ3 LYS 45 2.876 13.470 -6.989 362 3HZ LYS 45 HZ2 LYS 45 3.403 14.672 -5.911 363 H LEU 46 HN LEU 46 4.712 11.344 1.126 364 HA LEU 46 HA LEU 46 2.252 11.043 2.521 365 1HB LEU 46 HB2 LEU 46 4.972 10.064 2.845 366 2HB LEU 46 HB1 LEU 46 4.251 10.458 4.406 367 HG LEU 46 HG LEU 46 2.217 9.123 3.706 368 1HD1 LEU 46 HD11 LEU 46 3.530 9.203 1.224 369 2HD1 LEU 46 HD13 LEU 46 3.622 7.526 1.763 370 3HD1 LEU 46 HD12 LEU 46 2.054 8.322 1.622 371 1HD2 LEU 46 HD21 LEU 46 4.809 8.181 4.513 372 2HD2 LEU 46 HD23 LEU 46 3.215 7.598 4.987 373 3HD2 LEU 46 HD22 LEU 46 3.993 6.958 3.540 374 H GLN 47 HN GLN 47 4.461 13.611 2.555 375 HA GLN 47 HA GLN 47 4.011 14.492 5.288 376 1HB GLN 47 HB2 GLN 47 5.907 15.177 3.616 377 2HB GLN 47 HB1 GLN 47 4.726 16.347 3.025 378 1HG GLN 47 HG2 GLN 47 5.799 17.581 4.685 379 2HG GLN 47 HG1 GLN 47 4.434 16.909 5.579 380 1HE2 GLN 47 HE22 GLN 47 8.016 16.141 7.007 381 2HE2 GLN 47 HE21 GLN 47 7.575 17.495 6.083 382 H ALA 48 HN ALA 48 2.041 14.305 2.592 383 HA ALA 48 HA ALA 48 0.584 16.664 2.466 384 1HB ALA 48 HB3 ALA 48 0.264 14.402 1.203 385 2HB ALA 48 HB2 ALA 48 -0.855 14.025 2.513 386 3HB ALA 48 HB1 ALA 48 -1.143 15.426 1.482 387 H GLY 49 HN GLY 49 -0.636 13.882 4.392 388 1HA GLY 49 HA2 GLY 49 -1.152 15.743 6.643 389 2HA GLY 49 HA1 GLY 49 -2.565 14.995 5.902 390 H GLY 50 HN GLY 50 0.188 12.986 5.788 391 1HA GLY 50 HA2 GLY 50 0.923 11.264 7.276 392 2HA GLY 50 HA1 GLY 50 -0.338 11.744 8.415 393 OH TYR 51 OH TYR 51 -1.120 11.518 -0.232 394 H TYR 51 HN TYR 51 0.408 9.753 5.659 395 HA TYR 51 HA TYR 51 -2.310 8.939 5.106 396 1HB TYR 51 HB2 TYR 51 0.400 7.820 4.394 397 2HB TYR 51 HB1 TYR 51 -1.092 7.016 3.926 398 HD1 TYR 51 HD2 TYR 51 0.388 10.460 3.908 399 HD2 TYR 51 HD1 TYR 51 -1.983 7.542 1.833 400 HE1 TYR 51 HE2 TYR 51 0.186 11.995 1.990 401 HE2 TYR 51 HE1 TYR 51 -2.190 9.090 -0.091 402 HH TYR 51 HH TYR 51 -1.108 12.413 0.114 403 H GLY 52 HN GLY 52 -3.317 6.996 5.693 404 1HA GLY 52 HA2 GLY 52 -2.184 5.666 8.116 405 2HA GLY 52 HA1 GLY 52 -3.890 5.715 7.707 406 H PHE 53 HN PHE 53 -2.661 5.357 4.814 407 HA PHE 53 HA PHE 53 -2.066 2.455 4.936 408 1HB PHE 53 HB2 PHE 53 -4.630 3.484 4.426 409 2HB PHE 53 HB1 PHE 53 -3.989 3.047 2.850 410 HD1 PHE 53 HD2 PHE 53 -4.439 1.727 6.327 411 HD2 PHE 53 HD1 PHE 53 -3.996 0.816 2.168 412 HE1 PHE 53 HE2 PHE 53 -4.959 -0.636 6.780 413 HE2 PHE 53 HE1 PHE 53 -4.549 -1.525 2.603 414 HZ PHE 53 HZ PHE 53 -5.005 -2.289 4.917 415 H VAL 54 HN VAL 54 -0.444 2.050 3.426 416 HA VAL 54 HA VAL 54 -0.244 3.959 1.116 417 HB VAL 54 HB VAL 54 1.994 2.943 2.876 418 1HG1 VAL 54 HG11 VAL 54 1.975 3.932 0.045 419 2HG1 VAL 54 HG13 VAL 54 3.305 4.423 1.094 420 3HG1 VAL 54 HG12 VAL 54 3.005 2.712 0.793 421 1HG2 VAL 54 HG21 VAL 54 0.640 5.077 3.401 422 2HG2 VAL 54 HG23 VAL 54 2.392 5.256 3.299 423 3HG2 VAL 54 HG22 VAL 54 1.375 5.756 1.949 424 H ILE 55 HN ILE 55 -0.386 2.958 -0.753 425 HA ILE 55 HA ILE 55 0.236 0.038 -0.908 426 HB ILE 55 HB ILE 55 -1.710 1.852 -2.290 427 1HG1 ILE 55 HG12 ILE 55 -1.966 -1.078 -1.617 428 2HG1 ILE 55 HG11 ILE 55 -2.175 0.166 -0.383 429 1HG2 ILE 55 HG23 ILE 55 -0.320 -0.520 -3.537 430 2HG2 ILE 55 HG22 ILE 55 -1.961 -0.077 -4.002 431 3HG2 ILE 55 HG21 ILE 55 -0.639 1.064 -4.245 432 1HD1 ILE 55 HD12 ILE 55 -3.641 0.600 -2.928 433 2HD1 ILE 55 HD11 ILE 55 -4.210 -0.734 -1.926 434 3HD1 ILE 55 HD13 ILE 55 -4.153 0.901 -1.267 435 H SER 56 HN SER 56 1.949 -0.568 -2.215 436 HA SER 56 HA SER 56 2.875 1.282 -4.328 437 1HB SER 56 HB2 SER 56 4.972 1.715 -3.449 438 2HB SER 56 HB1 SER 56 4.035 1.645 -1.959 439 HG SER 56 HG SER 56 4.585 -0.743 -2.157 440 H ASP 57 HN ASP 57 3.903 0.193 -6.006 441 HA ASP 57 HA ASP 57 3.571 -2.693 -6.081 442 1HB ASP 57 HB2 ASP 57 3.497 -0.913 -8.029 443 2HB ASP 57 HB1 ASP 57 5.237 -1.198 -8.081 444 CH2 TRP 58 CH2 TRP 58 10.619 -6.222 -0.424 445 H TRP 58 HN TRP 58 5.020 -4.134 -5.319 446 HA TRP 58 HA TRP 58 7.519 -3.408 -4.147 447 1HB TRP 58 HB2 TRP 58 6.307 -5.457 -3.542 448 2HB TRP 58 HB1 TRP 58 6.543 -6.094 -5.168 449 HD1 TRP 58 HD1 TRP 58 8.967 -6.923 -5.840 450 HE1 TRP 58 HE1 TRP 58 11.012 -7.591 -4.418 451 HE3 TRP 58 HE3 TRP 58 7.616 -4.900 -1.355 452 HZ2 TRP 58 HZ2 TRP 58 11.946 -7.309 -1.727 453 HZ3 TRP 58 HZ3 TRP 58 9.099 -5.107 0.616 454 HH2 TRP 58 HH2 TRP 58 11.259 -6.313 0.443 455 H ASN 59 HN ASN 59 8.910 -2.328 -5.553 456 HA ASN 59 HA ASN 59 10.542 -2.130 -7.222 457 1HB ASN 59 HB2 ASN 59 10.949 -4.560 -6.277 458 2HB ASN 59 HB1 ASN 59 10.297 -5.054 -7.840 459 1HD2 ASN 59 HD22 ASN 59 13.039 -2.963 -9.424 460 2HD2 ASN 59 HD21 ASN 59 11.355 -2.765 -9.341 461 H MET 60 HN MET 60 10.081 -1.232 -9.151 462 HA MET 60 HA MET 60 9.186 -2.512 -11.426 463 1HB MET 60 HB2 MET 60 7.055 -3.067 -10.946 464 2HB MET 60 HB1 MET 60 6.950 -1.963 -9.590 465 1HG MET 60 HG2 MET 60 5.367 -1.376 -11.411 466 2HG MET 60 HG1 MET 60 6.523 -0.082 -11.132 467 1HE MET 60 HE1 MET 60 5.257 0.502 -13.061 468 2HE MET 60 HE3 MET 60 6.550 0.951 -14.182 469 3HE MET 60 HE2 MET 60 5.315 -0.203 -14.674 470 HA PRO 61 HA PRO 61 8.533 2.236 -11.977 471 1HB PRO 61 HB2 PRO 61 9.618 3.585 -9.681 472 2HB PRO 61 HB1 PRO 61 7.957 3.640 -10.288 473 1HG PRO 61 HG2 PRO 61 8.878 2.358 -7.902 474 2HG PRO 61 HG1 PRO 61 7.245 2.317 -8.578 475 1HD PRO 61 HD2 PRO 61 9.249 0.217 -8.547 476 2HD PRO 61 HD1 PRO 61 7.554 0.121 -9.054 477 H ASN 62 HN ASN 62 11.180 1.678 -9.622 478 HA ASN 62 HA ASN 62 13.215 1.506 -11.647 479 1HB ASN 62 HB2 ASN 62 14.278 3.762 -10.594 480 2HB ASN 62 HB1 ASN 62 13.308 3.757 -12.067 481 1HD2 ASN 62 HD22 ASN 62 11.561 5.068 -8.577 482 2HD2 ASN 62 HD21 ASN 62 12.866 3.987 -8.491 483 H MET 63 HN MET 63 12.220 1.940 -8.338 484 HA MET 63 HA MET 63 14.742 0.599 -7.439 485 1HB MET 63 HB2 MET 63 13.214 2.807 -6.027 486 2HB MET 63 HB1 MET 63 14.566 1.913 -5.331 487 1HG MET 63 HG2 MET 63 15.300 2.880 -7.943 488 2HG MET 63 HG1 MET 63 14.692 4.218 -6.971 489 1HE MET 63 HE1 MET 63 16.735 5.400 -7.082 490 2HE MET 63 HE3 MET 63 16.270 5.534 -5.381 491 3HE MET 63 HE2 MET 63 17.955 5.268 -5.818 492 H ASP 64 HN ASP 64 14.205 -0.135 -4.961 493 HA ASP 64 HA ASP 64 11.820 -1.873 -5.252 494 1HB ASP 64 HB2 ASP 64 12.901 -2.651 -2.907 495 2HB ASP 64 HB1 ASP 64 13.488 -3.245 -4.461 496 H GLY 65 HN GLY 65 9.958 -1.503 -4.092 497 1HA GLY 65 HA2 GLY 65 9.636 0.943 -2.657 498 2HA GLY 65 HA1 GLY 65 8.470 -0.365 -2.653 499 H LEU 66 HN LEU 66 11.389 -1.677 -1.739 500 HA LEU 66 HA LEU 66 10.515 -2.001 1.008 501 1HB LEU 66 HB2 LEU 66 11.790 -3.769 -0.154 502 2HB LEU 66 HB1 LEU 66 13.175 -2.688 -0.287 503 HG LEU 66 HG LEU 66 13.326 -2.569 2.180 504 1HD1 LEU 66 HD13 LEU 66 10.792 -4.137 1.948 505 2HD1 LEU 66 HD12 LEU 66 11.873 -4.515 3.289 506 3HD1 LEU 66 HD11 LEU 66 11.232 -2.882 3.106 507 1HD2 LEU 66 HD21 LEU 66 13.330 -5.257 0.823 508 2HD2 LEU 66 HD23 LEU 66 14.703 -4.265 1.314 509 3HD2 LEU 66 HD22 LEU 66 13.750 -5.115 2.531 510 H GLU 67 HN GLU 67 13.653 -0.706 -0.167 511 HA GLU 67 HA GLU 67 14.485 0.592 2.140 512 1HB GLU 67 HB2 GLU 67 15.025 0.838 -0.697 513 2HB GLU 67 HB1 GLU 67 15.026 2.431 0.061 514 1HG GLU 67 HG2 GLU 67 17.272 1.465 0.177 515 2HG GLU 67 HG1 GLU 67 16.588 1.571 1.800 516 H LEU 68 HN LEU 68 11.987 1.501 -0.098 517 HA LEU 68 HA LEU 68 11.484 4.170 0.841 518 1HB LEU 68 HB2 LEU 68 10.474 3.746 -1.202 519 2HB LEU 68 HB1 LEU 68 10.107 2.089 -0.778 520 HG LEU 68 HG LEU 68 8.222 2.806 0.606 521 1HD1 LEU 68 HD13 LEU 68 9.467 5.473 0.118 522 2HD1 LEU 68 HD12 LEU 68 7.706 5.404 0.174 523 3HD1 LEU 68 HD11 LEU 68 8.649 4.866 1.558 524 1HD2 LEU 68 HD23 LEU 68 8.451 3.116 -2.205 525 2HD2 LEU 68 HD22 LEU 68 6.989 2.804 -1.272 526 3HD2 LEU 68 HD21 LEU 68 7.473 4.463 -1.622 527 H LEU 69 HN LEU 69 9.797 1.092 1.452 528 HA LEU 69 HA LEU 69 8.130 2.081 3.545 529 1HB LEU 69 HB2 LEU 69 7.777 -0.035 2.277 530 2HB LEU 69 HB1 LEU 69 9.149 -0.739 3.115 531 HG LEU 69 HG LEU 69 7.264 0.492 4.978 532 1HD1 LEU 69 HD12 LEU 69 6.258 -1.659 3.110 533 2HD1 LEU 69 HD11 LEU 69 5.448 -1.163 4.598 534 3HD1 LEU 69 HD13 LEU 69 5.632 -0.018 3.267 535 1HD2 LEU 69 HD21 LEU 69 9.008 -1.722 4.966 536 2HD2 LEU 69 HD23 LEU 69 7.927 -1.228 6.258 537 3HD2 LEU 69 HD22 LEU 69 7.392 -2.403 5.059 538 H LYS 70 HN LYS 70 10.870 -0.168 3.888 539 HA LYS 70 HA LYS 70 11.270 -0.148 6.602 540 1HB LYS 70 HB2 LYS 70 12.738 -1.125 4.618 541 2HB LYS 70 HB1 LYS 70 13.710 0.313 4.927 542 1HG LYS 70 HG2 LYS 70 13.498 -0.440 7.442 543 2HG LYS 70 HG1 LYS 70 13.156 -2.018 6.733 544 1HD LYS 70 HD2 LYS 70 15.271 -1.634 5.308 545 2HD LYS 70 HD1 LYS 70 15.649 -0.343 6.447 546 1HE LYS 70 HE2 LYS 70 15.612 -3.294 6.870 547 2HE LYS 70 HE1 LYS 70 16.704 -2.078 7.532 548 1HZ LYS 70 HZ1 LYS 70 13.870 -2.444 8.342 549 2HZ LYS 70 HZ3 LYS 70 15.212 -3.007 9.213 550 3HZ LYS 70 HZ2 LYS 70 14.972 -1.337 9.011 551 H THR 71 HN THR 71 12.013 2.518 4.404 552 HA THR 71 HA THR 71 13.437 4.088 6.383 553 HB THR 71 HB THR 71 12.025 4.880 3.816 554 HG1 THR 71 HG1 THR 71 14.005 3.514 3.883 555 1HG2 THR 71 HG22 THR 71 13.240 6.477 5.965 556 2HG2 THR 71 HG21 THR 71 13.879 6.834 4.361 557 3HG2 THR 71 HG23 THR 71 12.148 6.974 4.673 558 H ILE 72 HN ILE 72 10.071 3.900 5.283 559 HA ILE 72 HA ILE 72 8.992 6.089 6.705 560 HB ILE 72 HB ILE 72 7.785 3.377 6.102 561 1HG1 ILE 72 HG12 ILE 72 7.327 6.050 4.743 562 2HG1 ILE 72 HG11 ILE 72 8.551 4.909 4.197 563 1HG2 ILE 72 HG23 ILE 72 6.594 5.920 7.215 564 2HG2 ILE 72 HG22 ILE 72 5.609 4.739 6.352 565 3HG2 ILE 72 HG21 ILE 72 6.440 4.276 7.836 566 1HD1 ILE 72 HD12 ILE 72 6.263 3.329 4.428 567 2HD1 ILE 72 HD11 ILE 72 5.654 4.855 3.796 568 3HD1 ILE 72 HD13 ILE 72 6.918 3.986 2.931 569 NH1 ARG 73 NH1 ARG 73 10.603 -2.652 11.235 570 NH2 ARG 73 NH2 ARG 73 12.714 -2.135 10.615 571 H ARG 73 HN ARG 73 9.614 2.745 7.811 572 HA ARG 73 HA ARG 73 8.676 3.473 10.522 573 1HB ARG 73 HB2 ARG 73 9.007 1.133 11.072 574 2HB ARG 73 HB1 ARG 73 8.174 1.224 9.521 575 1HG ARG 73 HG2 ARG 73 10.459 1.065 8.419 576 2HG ARG 73 HG1 ARG 73 11.106 0.660 10.009 577 1HD ARG 73 HD2 ARG 73 9.118 -1.100 9.992 578 2HD ARG 73 HD1 ARG 73 9.284 -0.925 8.245 579 HE ARG 73 HE ARG 73 11.439 -1.945 8.383 580 1HH1 ARG 73 HH11 ARG 73 9.623 -2.674 11.038 581 2HH1 ARG 73 HH12 ARG 73 10.944 -3.004 12.106 582 1HH2 ARG 73 HH21 ARG 73 13.352 -1.761 9.941 583 2HH2 ARG 73 HH22 ARG 73 13.056 -2.488 11.486 584 H ALA 74 HN ALA 74 11.459 4.008 8.866 585 HA ALA 74 HA ALA 74 13.397 3.187 10.890 586 1HB ALA 74 HB2 ALA 74 13.657 5.103 8.552 587 2HB ALA 74 HB1 ALA 74 14.997 4.506 9.529 588 3HB ALA 74 HB3 ALA 74 14.065 3.389 8.534 589 H ASP 75 HN ASP 75 11.480 6.036 10.213 590 HA ASP 75 HA ASP 75 13.014 7.785 11.971 591 1HB ASP 75 HB2 ASP 75 10.907 8.079 10.079 592 2HB ASP 75 HB1 ASP 75 10.317 8.701 11.621 593 H GLY 76 HN GLY 76 10.112 5.775 12.264 594 1HA GLY 76 HA2 GLY 76 9.326 4.819 14.310 595 2HA GLY 76 HA1 GLY 76 10.380 5.917 15.201 596 H ALA 77 HN ALA 77 9.334 8.200 13.485 597 HA ALA 77 HA ALA 77 7.369 9.188 15.271 598 1HB ALA 77 HB2 ALA 77 8.588 10.028 12.781 599 2HB ALA 77 HB1 ALA 77 6.866 10.406 12.782 600 3HB ALA 77 HB3 ALA 77 7.904 11.018 14.070 601 H MET 78 HN MET 78 6.901 7.806 11.997 602 HA MET 78 HA MET 78 3.996 7.625 12.508 603 1HB MET 78 HB2 MET 78 5.427 6.573 10.068 604 2HB MET 78 HB1 MET 78 3.765 7.146 10.204 605 1HG MET 78 HG2 MET 78 6.295 8.804 10.302 606 2HG MET 78 HG1 MET 78 5.004 8.885 9.104 607 1HE MET 78 HE3 MET 78 5.615 11.459 9.812 608 2HE MET 78 HE2 MET 78 4.009 11.175 9.148 609 3HE MET 78 HE1 MET 78 4.203 12.236 10.539 610 H SER 79 HN SER 79 6.283 5.911 13.766 611 HA SER 79 HA SER 79 6.627 3.651 14.322 612 1HB SER 79 HB2 SER 79 4.479 2.435 14.781 613 2HB SER 79 HB1 SER 79 4.550 4.034 15.516 614 HG SER 79 HG SER 79 3.417 3.532 12.966 615 H ALA 80 HN ALA 80 3.888 2.347 12.784 616 HA ALA 80 HA ALA 80 5.287 1.783 10.248 617 1HB ALA 80 HB1 ALA 80 4.624 -0.316 12.322 618 2HB ALA 80 HB3 ALA 80 4.833 -0.716 10.617 619 3HB ALA 80 HB2 ALA 80 6.172 -0.022 11.531 620 H LEU 81 HN LEU 81 3.117 3.296 10.290 621 HA LEU 81 HA LEU 81 0.565 2.335 10.497 622 1HB LEU 81 HB2 LEU 81 -0.099 4.066 9.046 623 2HB LEU 81 HB1 LEU 81 1.463 4.611 9.626 624 HG LEU 81 HG LEU 81 2.296 3.242 7.460 625 1HD1 LEU 81 HD11 LEU 81 -0.330 2.889 7.063 626 2HD1 LEU 81 HD13 LEU 81 -0.185 4.501 6.363 627 3HD1 LEU 81 HD12 LEU 81 0.770 3.171 5.714 628 1HD2 LEU 81 HD21 LEU 81 1.313 6.063 7.809 629 2HD2 LEU 81 HD23 LEU 81 2.970 5.475 7.677 630 3HD2 LEU 81 HD22 LEU 81 1.940 5.542 6.247 631 HA PRO 82 HA PRO 82 0.086 -1.227 7.950 632 1HB PRO 82 HB2 PRO 82 -2.358 -0.417 6.697 633 2HB PRO 82 HB1 PRO 82 -2.135 -1.582 7.996 634 1HG PRO 82 HG2 PRO 82 -3.192 1.108 8.179 635 2HG PRO 82 HG1 PRO 82 -3.042 -0.093 9.466 636 1HD PRO 82 HD2 PRO 82 -1.513 2.280 9.171 637 2HD PRO 82 HD1 PRO 82 -1.236 0.966 10.331 638 H VAL 83 HN VAL 83 0.591 -1.932 5.944 639 HA VAL 83 HA VAL 83 0.493 -0.028 3.649 640 HB VAL 83 HB VAL 83 2.858 -1.531 4.751 641 1HG1 VAL 83 HG11 VAL 83 2.206 -1.116 1.814 642 2HG1 VAL 83 HG13 VAL 83 3.869 -1.207 2.375 643 3HG1 VAL 83 HG12 VAL 83 2.798 -2.577 2.612 644 1HG2 VAL 83 HG22 VAL 83 2.208 1.127 4.576 645 2HG2 VAL 83 HG21 VAL 83 3.856 0.526 4.649 646 3HG2 VAL 83 HG23 VAL 83 3.133 0.910 3.091 647 H LEU 84 HN LEU 84 -0.447 -0.973 1.924 648 HA LEU 84 HA LEU 84 -0.605 -3.935 1.936 649 1HB LEU 84 HB2 LEU 84 -2.780 -2.762 2.025 650 2HB LEU 84 HB1 LEU 84 -2.407 -1.993 0.490 651 HG LEU 84 HG LEU 84 -2.235 -4.234 -0.568 652 1HD1 LEU 84 HD11 LEU 84 -2.669 -5.081 2.266 653 2HD1 LEU 84 HD13 LEU 84 -3.412 -6.056 0.997 654 3HD1 LEU 84 HD12 LEU 84 -1.665 -5.816 1.015 655 1HD2 LEU 84 HD22 LEU 84 -4.671 -3.136 0.683 656 2HD2 LEU 84 HD21 LEU 84 -4.377 -3.599 -0.993 657 3HD2 LEU 84 HD23 LEU 84 -4.799 -4.828 0.200 658 H MET 85 HN MET 85 1.637 -3.756 1.061 659 HA MET 85 HA MET 85 2.259 -2.589 -1.416 660 1HB MET 85 HB2 MET 85 3.334 -4.834 0.196 661 2HB MET 85 HB1 MET 85 3.722 -4.890 -1.524 662 1HG MET 85 HG2 MET 85 4.853 -2.828 -1.465 663 2HG MET 85 HG1 MET 85 4.077 -2.341 0.041 664 1HE MET 85 HE1 MET 85 6.455 -1.556 0.732 665 2HE MET 85 HE3 MET 85 7.866 -2.606 0.912 666 3HE MET 85 HE2 MET 85 7.238 -2.237 -0.692 667 H VAL 86 HN VAL 86 2.615 -3.916 -3.499 668 HA VAL 86 HA VAL 86 0.476 -5.948 -3.883 669 HB VAL 86 HB VAL 86 0.862 -3.509 -5.643 670 1HG1 VAL 86 HG11 VAL 86 -0.970 -5.899 -5.712 671 2HG1 VAL 86 HG13 VAL 86 -1.422 -4.381 -6.486 672 3HG1 VAL 86 HG12 VAL 86 0.030 -5.235 -7.007 673 1HG2 VAL 86 HG21 VAL 86 -1.252 -4.205 -3.581 674 2HG2 VAL 86 HG23 VAL 86 -0.132 -2.845 -3.529 675 3HG2 VAL 86 HG22 VAL 86 -1.408 -2.888 -4.745 676 H THR 87 HN THR 87 1.232 -7.642 -5.063 677 HA THR 87 HA THR 87 3.449 -7.170 -6.994 678 HB THR 87 HB THR 87 3.454 -9.178 -4.724 679 HG1 THR 87 HG1 THR 87 5.664 -7.674 -5.220 680 1HG2 THR 87 HG23 THR 87 5.109 -9.007 -7.239 681 2HG2 THR 87 HG22 THR 87 5.731 -9.774 -5.780 682 3HG2 THR 87 HG21 THR 87 4.284 -10.410 -6.559 683 H ALA 88 HN ALA 88 3.753 -9.169 -8.390 684 HA ALA 88 HA ALA 88 1.111 -10.500 -8.829 685 1HB ALA 88 HB3 ALA 88 2.880 -9.108 -10.599 686 2HB ALA 88 HB2 ALA 88 2.826 -10.802 -11.087 687 3HB ALA 88 HB1 ALA 88 1.333 -9.868 -10.976 688 H GLU 89 HN GLU 89 4.546 -10.973 -8.357 689 HA GLU 89 HA GLU 89 4.250 -13.908 -8.767 690 1HB GLU 89 HB2 GLU 89 6.694 -12.157 -8.363 691 2HB GLU 89 HB1 GLU 89 6.746 -13.912 -8.536 692 1HG GLU 89 HG2 GLU 89 6.632 -13.733 -10.773 693 2HG GLU 89 HG1 GLU 89 5.141 -12.799 -10.649 694 H ALA 90 HN ALA 90 6.170 -11.995 -6.430 695 HA ALA 90 HA ALA 90 6.399 -12.240 -4.104 696 1HB ALA 90 HB2 ALA 90 3.657 -12.347 -4.623 697 2HB ALA 90 HB1 ALA 90 3.965 -13.772 -3.631 698 3HB ALA 90 HB3 ALA 90 4.408 -12.171 -3.037 699 H LYS 91 HN LYS 91 7.853 -13.711 -3.375 700 HA LYS 91 HA LYS 91 7.268 -16.621 -3.786 701 1HB LYS 91 HB2 LYS 91 9.687 -14.998 -4.313 702 2HB LYS 91 HB1 LYS 91 9.974 -16.539 -3.510 703 1HG LYS 91 HG2 LYS 91 8.180 -16.396 -5.924 704 2HG LYS 91 HG1 LYS 91 9.931 -16.487 -6.115 705 1HD LYS 91 HD2 LYS 91 10.044 -18.643 -5.343 706 2HD LYS 91 HD1 LYS 91 8.713 -18.415 -4.208 707 1HE LYS 91 HE2 LYS 91 7.080 -18.781 -5.846 708 2HE LYS 91 HE1 LYS 91 8.179 -18.386 -7.167 709 1HZ LYS 91 HZ2 LYS 91 9.334 -20.515 -5.876 710 2HZ LYS 91 HZ1 LYS 91 7.680 -20.899 -5.936 711 3HZ LYS 91 HZ3 LYS 91 8.522 -20.553 -7.367 712 H LYS 92 HN LYS 92 9.957 -15.261 -1.961 713 HA LYS 92 HA LYS 92 8.584 -15.722 0.606 714 1HB LYS 92 HB2 LYS 92 10.337 -17.691 -0.613 715 2HB LYS 92 HB1 LYS 92 10.987 -17.136 0.929 716 1HG LYS 92 HG2 LYS 92 8.838 -17.617 2.028 717 2HG LYS 92 HG1 LYS 92 8.160 -18.142 0.487 718 1HD LYS 92 HD2 LYS 92 8.804 -20.187 1.377 719 2HD LYS 92 HD1 LYS 92 10.258 -19.758 0.476 720 1HE LYS 92 HE2 LYS 92 11.245 -20.225 2.499 721 2HE LYS 92 HE1 LYS 92 10.844 -18.536 2.799 722 1HZ LYS 92 HZ3 LYS 92 8.680 -19.371 3.708 723 2HZ LYS 92 HZ2 LYS 92 9.329 -20.939 3.642 724 3HZ LYS 92 HZ1 LYS 92 10.048 -19.761 4.632 725 H GLU 93 HN GLU 93 12.053 -15.747 -0.216 726 HA GLU 93 HA GLU 93 12.938 -14.051 1.780 727 1HB GLU 93 HB2 GLU 93 13.933 -14.191 -1.081 728 2HB GLU 93 HB1 GLU 93 14.818 -13.450 0.253 729 1HG GLU 93 HG2 GLU 93 15.340 -15.469 1.211 730 2HG GLU 93 HG1 GLU 93 13.835 -16.226 0.687 731 H ASN 94 HN ASN 94 10.928 -13.227 -0.871 732 HA ASN 94 HA ASN 94 11.591 -10.353 -0.749 733 1HB ASN 94 HB2 ASN 94 10.926 -11.705 -2.873 734 2HB ASN 94 HB1 ASN 94 9.280 -11.550 -2.264 735 1HD2 ASN 94 HD22 ASN 94 8.958 -8.227 -3.345 736 2HD2 ASN 94 HD21 ASN 94 8.205 -9.631 -2.763 737 H ILE 95 HN ILE 95 9.071 -12.581 0.299 738 HA ILE 95 HA ILE 95 7.407 -10.356 1.301 739 HB ILE 95 HB ILE 95 6.995 -13.343 1.634 740 1HG1 ILE 95 HG12 ILE 95 5.835 -11.495 -0.475 741 2HG1 ILE 95 HG11 ILE 95 7.162 -12.619 -0.768 742 1HG2 ILE 95 HG21 ILE 95 5.645 -11.048 2.663 743 2HG2 ILE 95 HG23 ILE 95 4.596 -11.791 1.455 744 3HG2 ILE 95 HG22 ILE 95 5.181 -12.742 2.819 745 1HD1 ILE 95 HD11 ILE 95 5.647 -14.471 0.068 746 2HD1 ILE 95 HD13 ILE 95 4.328 -13.300 0.049 747 3HD1 ILE 95 HD12 ILE 95 5.143 -13.733 -1.454 748 H ILE 96 HN ILE 96 9.835 -12.538 2.452 749 HA ILE 96 HA ILE 96 9.083 -12.442 5.251 750 HB ILE 96 HB ILE 96 11.680 -13.149 3.865 751 1HG1 ILE 96 HG12 ILE 96 9.820 -14.977 5.382 752 2HG1 ILE 96 HG11 ILE 96 9.519 -14.590 3.687 753 1HG2 ILE 96 HG21 ILE 96 10.964 -12.867 6.746 754 2HG2 ILE 96 HG23 ILE 96 11.931 -14.269 6.292 755 3HG2 ILE 96 HG22 ILE 96 12.521 -12.643 5.947 756 1HD1 ILE 96 HD11 ILE 96 12.256 -15.492 4.534 757 2HD1 ILE 96 HD13 ILE 96 10.981 -16.687 4.290 758 3HD1 ILE 96 HD12 ILE 96 11.474 -15.638 2.960 759 H ALA 97 HN ALA 97 12.085 -11.161 3.823 760 HA ALA 97 HA ALA 97 12.769 -9.357 5.809 761 1HB ALA 97 HB3 ALA 97 13.623 -9.828 3.209 762 2HB ALA 97 HB2 ALA 97 13.080 -8.150 3.159 763 3HB ALA 97 HB1 ALA 97 14.317 -8.643 4.315 764 H ALA 98 HN ALA 98 10.655 -8.671 3.034 765 HA ALA 98 HA ALA 98 9.947 -6.026 3.718 766 1HB ALA 98 HB1 ALA 98 9.352 -7.296 1.598 767 2HB ALA 98 HB3 ALA 98 8.066 -8.071 2.520 768 3HB ALA 98 HB2 ALA 98 8.048 -6.328 2.281 769 H ALA 99 HN ALA 99 8.242 -9.065 4.561 770 HA ALA 99 HA ALA 99 6.210 -7.935 6.125 771 1HB ALA 99 HB2 ALA 99 7.640 -10.587 6.299 772 2HB ALA 99 HB1 ALA 99 6.304 -10.181 7.376 773 3HB ALA 99 HB3 ALA 99 6.041 -10.253 5.634 774 H GLN 100 HN GLN 100 9.501 -8.874 7.080 775 HA GLN 100 HA GLN 100 9.216 -8.354 9.866 776 1HB GLN 100 HB2 GLN 100 11.465 -8.626 7.949 777 2HB GLN 100 HB1 GLN 100 11.822 -7.749 9.438 778 1HG GLN 100 HG2 GLN 100 12.203 -10.256 9.555 779 2HG GLN 100 HG1 GLN 100 11.132 -9.606 10.796 780 1HE2 GLN 100 HE22 GLN 100 8.898 -12.188 9.813 781 2HE2 GLN 100 HE21 GLN 100 9.948 -11.631 11.026 782 H ALA 101 HN ALA 101 9.134 -6.201 7.233 783 HA ALA 101 HA ALA 101 10.073 -3.908 8.872 784 1HB ALA 101 HB2 ALA 101 10.857 -4.145 6.503 785 2HB ALA 101 HB1 ALA 101 9.194 -3.935 5.964 786 3HB ALA 101 HB3 ALA 101 10.020 -2.626 6.810 787 H GLY 102 HN GLY 102 7.746 -3.162 6.504 788 1HA GLY 102 HA2 GLY 102 5.571 -2.959 8.481 789 2HA GLY 102 HA1 GLY 102 6.004 -1.550 7.526 790 H ALA 103 HN ALA 103 6.560 -4.171 5.641 791 HA ALA 103 HA ALA 103 4.483 -3.728 3.761 792 1HB ALA 103 HB2 ALA 103 6.287 -6.097 4.248 793 2HB ALA 103 HB1 ALA 103 5.152 -6.027 2.902 794 3HB ALA 103 HB3 ALA 103 6.451 -4.842 3.020 795 H SER 104 HN SER 104 3.909 -4.548 6.728 796 HA SER 104 HA SER 104 2.699 -6.843 7.315 797 1HB SER 104 HB2 SER 104 1.567 -4.074 7.649 798 2HB SER 104 HB1 SER 104 0.678 -5.477 8.239 799 HG SER 104 HG SER 104 2.192 -4.466 9.752 800 H GLY 105 HN GLY 105 1.362 -4.701 4.813 801 1HA GLY 105 HA2 GLY 105 -0.737 -6.780 4.302 802 2HA GLY 105 HA1 GLY 105 -0.890 -5.089 3.850 803 OH TYR 106 OH TYR 106 2.041 -13.042 -2.547 804 H TYR 106 HN TYR 106 -0.444 -7.993 2.497 805 HA TYR 106 HA TYR 106 0.933 -6.813 0.160 806 1HB TYR 106 HB2 TYR 106 2.879 -7.863 0.652 807 2HB TYR 106 HB1 TYR 106 2.126 -8.833 1.916 808 HD1 TYR 106 HD2 TYR 106 2.119 -8.541 -1.853 809 HD2 TYR 106 HD1 TYR 106 1.964 -11.137 1.573 810 HE1 TYR 106 HE2 TYR 106 2.122 -10.521 -3.338 811 HE2 TYR 106 HE1 TYR 106 1.968 -13.106 0.084 812 HH TYR 106 HH TYR 106 2.679 -13.673 -2.203 813 H VAL 107 HN VAL 107 -0.563 -7.131 -1.374 814 HA VAL 107 HA VAL 107 -2.084 -9.707 -1.387 815 HB VAL 107 HB VAL 107 -3.449 -7.639 -1.243 816 1HG1 VAL 107 HG12 VAL 107 -1.533 -6.538 -2.840 817 2HG1 VAL 107 HG11 VAL 107 -2.797 -6.864 -4.026 818 3HG1 VAL 107 HG13 VAL 107 -3.136 -5.851 -2.626 819 1HG2 VAL 107 HG22 VAL 107 -4.275 -9.665 -2.447 820 2HG2 VAL 107 HG21 VAL 107 -4.934 -8.177 -3.118 821 3HG2 VAL 107 HG23 VAL 107 -3.625 -9.011 -3.948 822 H VAL 108 HN VAL 108 -1.664 -11.099 -3.053 823 HA VAL 108 HA VAL 108 0.355 -10.309 -5.009 824 HB VAL 108 HB VAL 108 0.345 -12.596 -4.089 825 1HG1 VAL 108 HG11 VAL 108 -2.396 -12.412 -4.327 826 2HG1 VAL 108 HG13 VAL 108 -1.975 -13.497 -5.651 827 3HG1 VAL 108 HG12 VAL 108 -1.509 -13.899 -3.998 828 1HG2 VAL 108 HG23 VAL 108 0.856 -11.927 -6.637 829 2HG2 VAL 108 HG22 VAL 108 0.966 -13.594 -6.072 830 3HG2 VAL 108 HG21 VAL 108 -0.479 -13.044 -6.921 831 H LYS 109 HN LYS 109 -0.650 -8.735 -6.342 832 HA LYS 109 HA LYS 109 -3.264 -8.811 -7.377 833 1HB LYS 109 HB2 LYS 109 -2.586 -6.874 -8.336 834 2HB LYS 109 HB1 LYS 109 -1.011 -7.196 -7.637 835 1HG LYS 109 HG2 LYS 109 -0.374 -8.465 -9.693 836 2HG LYS 109 HG1 LYS 109 -1.922 -8.011 -10.415 837 1HD LYS 109 HD2 LYS 109 -0.911 -5.602 -9.474 838 2HD LYS 109 HD1 LYS 109 0.512 -6.433 -10.104 839 1HE LYS 109 HE2 LYS 109 -0.434 -5.231 -11.949 840 2HE LYS 109 HE1 LYS 109 -0.847 -6.927 -12.197 841 1HZ LYS 109 HZ3 LYS 109 -2.623 -4.922 -10.916 842 2HZ LYS 109 HZ2 LYS 109 -2.740 -5.424 -12.536 843 3HZ LYS 109 HZ1 LYS 109 -3.016 -6.532 -11.276 844 HA PRO 110 HA PRO 110 -4.086 -8.072 -9.578 845 1HB PRO 110 HB2 PRO 110 -6.094 -9.619 -10.910 846 2HB PRO 110 HB1 PRO 110 -5.059 -8.369 -11.613 847 1HG PRO 110 HG2 PRO 110 -4.946 -11.161 -12.151 848 2HG PRO 110 HG1 PRO 110 -3.787 -9.935 -12.682 849 1HD PRO 110 HD2 PRO 110 -3.506 -11.939 -10.547 850 2HD PRO 110 HD1 PRO 110 -2.252 -10.957 -11.333 851 H PHE 111 HN PHE 111 -6.279 -7.736 -8.591 852 HA PHE 111 HA PHE 111 -7.378 -10.076 -7.133 853 1HB PHE 111 HB2 PHE 111 -7.635 -8.646 -5.060 854 2HB PHE 111 HB1 PHE 111 -5.997 -9.170 -5.408 855 HD1 PHE 111 HD1 PHE 111 -8.373 -6.290 -5.858 856 HD2 PHE 111 HD2 PHE 111 -4.284 -7.590 -5.672 857 HE1 PHE 111 HE1 PHE 111 -7.600 -3.941 -5.964 858 HE2 PHE 111 HE2 PHE 111 -3.522 -5.240 -5.769 859 HZ PHE 111 HZ PHE 111 -5.184 -3.412 -5.911 860 H THR 112 HN THR 112 -9.483 -9.776 -6.406 861 HA THR 112 HA THR 112 -10.993 -7.663 -7.868 862 HB THR 112 HB THR 112 -12.477 -9.783 -6.421 863 HG1 THR 112 HG1 THR 112 -10.401 -10.618 -7.547 864 1HG2 THR 112 HG21 THR 112 -13.520 -8.141 -7.959 865 2HG2 THR 112 HG23 THR 112 -12.547 -8.783 -9.281 866 3HG2 THR 112 HG22 THR 112 -13.762 -9.800 -8.507 867 H ALA 113 HN ALA 113 -12.577 -6.429 -6.556 868 HA ALA 113 HA ALA 113 -11.577 -5.496 -4.119 869 1HB ALA 113 HB3 ALA 113 -13.642 -4.707 -5.604 870 2HB ALA 113 HB2 ALA 113 -14.557 -5.650 -4.426 871 3HB ALA 113 HB1 ALA 113 -13.557 -4.299 -3.890 872 H ALA 114 HN ALA 114 -12.914 -8.553 -4.721 873 HA ALA 114 HA ALA 114 -13.855 -8.973 -1.976 874 1HB ALA 114 HB2 ALA 114 -14.725 -10.186 -4.090 875 2HB ALA 114 HB1 ALA 114 -13.248 -11.144 -3.990 876 3HB ALA 114 HB3 ALA 114 -14.412 -11.180 -2.666 877 H THR 115 HN THR 115 -11.003 -9.786 -3.940 878 HA THR 115 HA THR 115 -9.726 -11.261 -1.796 879 HB THR 115 HB THR 115 -7.687 -10.305 -3.442 880 HG1 THR 115 HG1 THR 115 -10.146 -10.570 -4.789 881 1HG2 THR 115 HG22 THR 115 -9.397 -12.794 -3.692 882 2HG2 THR 115 HG21 THR 115 -7.813 -12.577 -4.435 883 3HG2 THR 115 HG23 THR 115 -7.965 -12.613 -2.678 884 H LEU 116 HN LEU 116 -8.992 -7.969 -3.202 885 HA LEU 116 HA LEU 116 -7.222 -7.197 -1.150 886 1HB LEU 116 HB2 LEU 116 -8.322 -5.910 -3.287 887 2HB LEU 116 HB1 LEU 116 -9.169 -5.121 -1.959 888 HG LEU 116 HG LEU 116 -6.919 -4.764 -0.847 889 1HD1 LEU 116 HD11 LEU 116 -6.069 -6.163 -3.314 890 2HD1 LEU 116 HD13 LEU 116 -5.134 -4.731 -2.899 891 3HD1 LEU 116 HD12 LEU 116 -5.275 -6.056 -1.744 892 1HD2 LEU 116 HD21 LEU 116 -8.172 -3.065 -2.339 893 2HD2 LEU 116 HD23 LEU 116 -6.458 -2.777 -2.046 894 3HD2 LEU 116 HD22 LEU 116 -6.982 -3.478 -3.574 895 H GLU 117 HN GLU 117 -10.788 -7.219 -1.142 896 HA GLU 117 HA GLU 117 -11.153 -5.883 1.328 897 1HB GLU 117 HB2 GLU 117 -13.104 -6.229 0.043 898 2HB GLU 117 HB1 GLU 117 -12.777 -7.953 -0.139 899 1HG GLU 117 HG2 GLU 117 -13.135 -6.861 2.626 900 2HG GLU 117 HG1 GLU 117 -14.567 -7.081 1.621 901 H GLU 118 HN GLU 118 -10.917 -9.372 0.653 902 HA GLU 118 HA GLU 118 -11.150 -10.415 3.216 903 1HB GLU 118 HB2 GLU 118 -9.457 -11.201 0.862 904 2HB GLU 118 HB1 GLU 118 -9.264 -12.061 2.389 905 1HG GLU 118 HG2 GLU 118 -11.685 -12.556 2.414 906 2HG GLU 118 HG1 GLU 118 -11.869 -11.711 0.876 907 H LYS 119 HN LYS 119 -8.008 -9.491 1.744 908 HA LYS 119 HA LYS 119 -6.472 -9.709 4.111 909 1HB LYS 119 HB2 LYS 119 -6.116 -7.739 1.828 910 2HB LYS 119 HB1 LYS 119 -4.880 -8.181 3.005 911 1HG LYS 119 HG2 LYS 119 -5.886 -10.617 1.993 912 2HG LYS 119 HG1 LYS 119 -5.657 -9.567 0.593 913 1HD LYS 119 HD2 LYS 119 -3.346 -9.101 1.308 914 2HD LYS 119 HD1 LYS 119 -3.570 -10.135 2.720 915 1HE LYS 119 HE2 LYS 119 -3.813 -11.050 -0.161 916 2HE LYS 119 HE1 LYS 119 -2.417 -11.334 0.878 917 1HZ LYS 119 HZ2 LYS 119 -3.958 -12.462 2.443 918 2HZ LYS 119 HZ1 LYS 119 -5.180 -12.337 1.270 919 3HZ LYS 119 HZ3 LYS 119 -3.789 -13.255 0.951 920 H LEU 120 HN LEU 120 -8.134 -6.858 2.763 921 HA LEU 120 HA LEU 120 -7.476 -4.913 4.633 922 1HB LEU 120 HB2 LEU 120 -9.344 -5.150 2.610 923 2HB LEU 120 HB1 LEU 120 -10.370 -5.025 4.027 924 HG LEU 120 HG LEU 120 -9.919 -2.820 2.989 925 1HD1 LEU 120 HD11 LEU 120 -8.873 -3.367 5.755 926 2HD1 LEU 120 HD13 LEU 120 -8.956 -1.732 5.108 927 3HD1 LEU 120 HD12 LEU 120 -10.426 -2.687 5.283 928 1HD2 LEU 120 HD23 LEU 120 -7.369 -3.748 2.588 929 2HD2 LEU 120 HD22 LEU 120 -7.843 -2.052 2.486 930 3HD2 LEU 120 HD21 LEU 120 -7.145 -2.684 3.977 931 H ASN 121 HN ASN 121 -10.498 -6.810 4.945 932 HA ASN 121 HA ASN 121 -10.928 -6.169 7.666 933 1HB ASN 121 HB2 ASN 121 -11.954 -8.140 5.742 934 2HB ASN 121 HB1 ASN 121 -12.003 -8.700 7.413 935 1HD2 ASN 121 HD22 ASN 121 -14.428 -5.627 6.235 936 2HD2 ASN 121 HD21 ASN 121 -13.210 -6.199 5.200 937 H LYS 122 HN LYS 122 -8.687 -8.431 6.259 938 HA LYS 122 HA LYS 122 -8.368 -9.972 8.727 939 1HB LYS 122 HB2 LYS 122 -7.928 -10.779 6.306 940 2HB LYS 122 HB1 LYS 122 -6.393 -9.921 6.450 941 1HG LYS 122 HG2 LYS 122 -6.447 -11.304 8.812 942 2HG LYS 122 HG1 LYS 122 -7.275 -12.431 7.736 943 1HD LYS 122 HD2 LYS 122 -5.000 -13.004 7.489 944 2HD LYS 122 HD1 LYS 122 -5.319 -11.973 6.093 945 1HE LYS 122 HE2 LYS 122 -4.615 -10.111 7.966 946 2HE LYS 122 HE1 LYS 122 -3.610 -11.475 8.452 947 1HZ LYS 122 HZ1 LYS 122 -3.768 -10.705 5.617 948 2HZ LYS 122 HZ3 LYS 122 -2.755 -9.841 6.667 949 3HZ LYS 122 HZ2 LYS 122 -2.520 -11.508 6.444 950 H ILE 123 HN ILE 123 -6.948 -7.098 7.339 951 HA ILE 123 HA ILE 123 -4.636 -7.213 9.172 952 HB ILE 123 HB ILE 123 -5.521 -5.336 6.995 953 1HG1 ILE 123 HG12 ILE 123 -2.908 -6.801 7.501 954 2HG1 ILE 123 HG11 ILE 123 -4.222 -7.451 6.522 955 1HG2 ILE 123 HG22 ILE 123 -3.560 -4.853 9.232 956 2HG2 ILE 123 HG21 ILE 123 -3.280 -4.130 7.651 957 3HG2 ILE 123 HG23 ILE 123 -4.748 -3.747 8.545 958 1HD1 ILE 123 HD11 ILE 123 -3.722 -4.793 5.619 959 2HD1 ILE 123 HD13 ILE 123 -2.168 -5.615 5.741 960 3HD1 ILE 123 HD12 ILE 123 -3.453 -6.303 4.748 961 H PHE 124 HN PHE 124 -7.629 -5.324 8.781 962 HA PHE 124 HA PHE 124 -6.995 -3.444 10.847 963 1HB PHE 124 HB2 PHE 124 -9.517 -4.257 9.451 964 2HB PHE 124 HB1 PHE 124 -9.576 -3.156 10.826 965 HD1 PHE 124 HD2 PHE 124 -7.588 -3.718 7.722 966 HD2 PHE 124 HD1 PHE 124 -9.312 -0.853 10.406 967 HE1 PHE 124 HE2 PHE 124 -6.819 -1.895 6.256 968 HE2 PHE 124 HE1 PHE 124 -8.518 0.989 8.936 969 HZ PHE 124 HZ PHE 124 -7.272 0.456 6.855 970 H GLU 125 HN GLU 125 -8.005 -6.736 11.062 971 HA GLU 125 HA GLU 125 -9.398 -6.585 13.564 972 1HB GLU 125 HB2 GLU 125 -8.238 -8.999 13.766 973 2HB GLU 125 HB1 GLU 125 -9.600 -8.718 12.682 974 1HG GLU 125 HG2 GLU 125 -8.210 -8.558 10.783 975 2HG GLU 125 HG1 GLU 125 -6.761 -8.302 11.758 976 H LYS 126 HN LYS 126 -6.045 -6.418 12.655 977 HA LYS 126 HA LYS 126 -5.117 -6.642 15.449 978 1HB LYS 126 HB2 LYS 126 -3.713 -7.576 13.642 979 2HB LYS 126 HB1 LYS 126 -3.613 -5.983 12.891 980 1HG LYS 126 HG2 LYS 126 -2.181 -5.159 14.500 981 2HG LYS 126 HG1 LYS 126 -2.832 -6.202 15.764 982 1HD LYS 126 HD2 LYS 126 -1.681 -8.128 14.863 983 2HD LYS 126 HD1 LYS 126 -1.172 -7.216 13.441 984 1HE LYS 126 HE2 LYS 126 0.100 -5.673 14.954 985 2HE LYS 126 HE1 LYS 126 -0.313 -6.727 16.307 986 1HZ LYS 126 HZ3 LYS 126 0.935 -7.871 13.904 987 2HZ LYS 126 HZ2 LYS 126 1.904 -7.063 15.042 988 3HZ LYS 126 HZ1 LYS 126 0.992 -8.419 15.508 989 H LEU 127 HN LEU 127 -5.911 -4.237 13.041 990 HA LEU 127 HA LEU 127 -4.613 -2.004 14.339 991 1HB LEU 127 HB2 LEU 127 -5.443 -2.063 11.923 992 2HB LEU 127 HB1 LEU 127 -7.075 -1.874 12.570 993 HG LEU 127 HG LEU 127 -5.582 0.083 13.893 994 1HD1 LEU 127 HD13 LEU 127 -4.873 -0.001 10.943 995 2HD1 LEU 127 HD12 LEU 127 -4.494 1.317 12.052 996 3HD1 LEU 127 HD11 LEU 127 -3.749 -0.267 12.276 997 1HD2 LEU 127 HD21 LEU 127 -7.369 0.225 11.446 998 2HD2 LEU 127 HD23 LEU 127 -7.875 0.353 13.130 999 3HD2 LEU 127 HD22 LEU 127 -6.893 1.626 12.405 1000 H GLY 128 HN GLY 128 -7.619 -3.725 14.805 1001 1HA GLY 128 HA2 GLY 128 -9.243 -3.508 16.484 1002 2HA GLY 128 HA1 GLY 128 -8.067 -2.536 17.371 1003 H MET 129 HN MET 129 -10.240 -2.262 14.541 1004 HA MET 129 HA MET 129 -10.432 0.652 14.982 1005 1HB MET 129 HB2 MET 129 -12.128 0.283 12.978 1006 2HB MET 129 HB1 MET 129 -10.388 0.240 12.694 1007 1HG MET 129 HG2 MET 129 -10.358 -2.162 12.760 1008 2HG MET 129 HG1 MET 129 -12.026 -2.225 13.326 1009 1HE MET 129 HE1 MET 129 -11.836 -3.979 11.739 1010 2HE MET 129 HE3 MET 129 -13.356 -3.611 10.914 1011 3HE MET 129 HE2 MET 129 -11.887 -3.877 9.980 Start of MODEL 30 Raw file had 1011 H/Q atoms Start of MODEL 30 1 H ALA 2 HN ALA 2 -14.731 1.587 7.652 2 HA ALA 2 HA ALA 2 -13.319 2.087 10.154 3 1HB ALA 2 HB1 ALA 2 -12.060 0.129 9.309 4 2HB ALA 2 HB3 ALA 2 -11.772 0.977 7.789 5 3HB ALA 2 HB2 ALA 2 -11.065 1.584 9.286 6 H ASP 3 HN ASP 3 -14.399 4.146 9.557 7 HA ASP 3 HA ASP 3 -14.301 6.337 8.725 8 1HB ASP 3 HB2 ASP 3 -11.600 5.448 8.946 9 2HB ASP 3 HB1 ASP 3 -11.745 6.325 7.423 10 H LYS 4 HN LYS 4 -15.181 7.145 6.862 11 HA LYS 4 HA LYS 4 -15.141 5.415 4.477 12 1HB LYS 4 HB2 LYS 4 -16.679 7.924 5.147 13 2HB LYS 4 HB1 LYS 4 -16.815 7.083 3.607 14 1HG LYS 4 HG2 LYS 4 -17.081 5.331 5.961 15 2HG LYS 4 HG1 LYS 4 -18.361 6.536 5.807 16 1HD LYS 4 HD2 LYS 4 -18.827 5.807 3.524 17 2HD LYS 4 HD1 LYS 4 -17.481 4.670 3.585 18 1HE LYS 4 HE2 LYS 4 -18.604 3.195 4.957 19 2HE LYS 4 HE1 LYS 4 -19.555 4.468 5.723 20 1HZ LYS 4 HZ1 LYS 4 -20.375 4.589 3.161 21 2HZ LYS 4 HZ3 LYS 4 -20.117 2.924 3.355 22 3HZ LYS 4 HZ2 LYS 4 -21.180 3.744 4.396 23 H GLU 5 HN GLU 5 -12.982 7.484 5.569 24 HA GLU 5 HA GLU 5 -12.222 8.355 2.840 25 1HB GLU 5 HB2 GLU 5 -12.270 10.293 5.170 26 2HB GLU 5 HB1 GLU 5 -11.870 10.654 3.490 27 1HG GLU 5 HG2 GLU 5 -14.201 9.918 2.863 28 2HG GLU 5 HG1 GLU 5 -14.567 9.817 4.586 29 H LEU 6 HN LEU 6 -10.986 6.301 4.182 30 HA LEU 6 HA LEU 6 -8.774 7.329 5.738 31 1HB LEU 6 HB2 LEU 6 -9.786 5.082 6.129 32 2HB LEU 6 HB1 LEU 6 -9.224 4.575 4.550 33 HG LEU 6 HG LEU 6 -6.917 4.729 5.234 34 1HD1 LEU 6 HD13 LEU 6 -8.079 6.177 7.595 35 2HD1 LEU 6 HD12 LEU 6 -6.574 5.282 7.771 36 3HD1 LEU 6 HD11 LEU 6 -6.679 6.605 6.607 37 1HD2 LEU 6 HD21 LEU 6 -8.319 2.764 6.010 38 2HD2 LEU 6 HD23 LEU 6 -6.866 3.083 6.958 39 3HD2 LEU 6 HD22 LEU 6 -8.441 3.573 7.571 40 H LYS 7 HN LYS 7 -6.806 7.957 4.912 41 HA LYS 7 HA LYS 7 -6.619 8.333 2.051 42 1HB LYS 7 HB2 LYS 7 -5.230 9.247 4.434 43 2HB LYS 7 HB1 LYS 7 -4.117 8.920 3.105 44 1HG LYS 7 HG2 LYS 7 -5.391 10.361 1.616 45 2HG LYS 7 HG1 LYS 7 -6.626 10.602 2.851 46 1HD LYS 7 HD2 LYS 7 -5.357 12.095 4.022 47 2HD LYS 7 HD1 LYS 7 -3.853 11.239 3.678 48 1HE LYS 7 HE2 LYS 7 -5.317 12.706 1.493 49 2HE LYS 7 HE1 LYS 7 -4.218 13.564 2.573 50 1HZ LYS 7 HZ1 LYS 7 -3.294 11.074 1.344 51 2HZ LYS 7 HZ3 LYS 7 -3.369 12.461 0.371 52 3HZ LYS 7 HZ2 LYS 7 -2.413 12.460 1.777 53 H PHE 8 HN PHE 8 -5.932 6.874 0.606 54 HA PHE 8 HA PHE 8 -3.881 4.885 1.421 55 1HB PHE 8 HB2 PHE 8 -5.794 4.792 -0.936 56 2HB PHE 8 HB1 PHE 8 -4.626 3.563 -0.519 57 HD1 PHE 8 HD2 PHE 8 -7.607 5.355 0.799 58 HD2 PHE 8 HD1 PHE 8 -5.188 1.817 0.973 59 HE1 PHE 8 HE2 PHE 8 -9.272 4.290 2.294 60 HE2 PHE 8 HE1 PHE 8 -6.854 0.744 2.469 61 HZ PHE 8 HZ PHE 8 -8.897 1.981 3.135 62 H LEU 9 HN LEU 9 -2.009 4.741 0.142 63 HA LEU 9 HA LEU 9 -1.739 6.880 -1.941 64 1HB LEU 9 HB2 LEU 9 -0.240 7.138 0.057 65 2HB LEU 9 HB1 LEU 9 0.479 5.591 -0.341 66 HG LEU 9 HG LEU 9 1.069 6.486 -2.602 67 1HD1 LEU 9 HD11 LEU 9 -0.355 8.852 -1.473 68 2HD1 LEU 9 HD13 LEU 9 1.079 9.161 -2.450 69 3HD1 LEU 9 HD12 LEU 9 -0.279 8.269 -3.134 70 1HD2 LEU 9 HD23 LEU 9 2.075 7.896 -0.136 71 2HD2 LEU 9 HD22 LEU 9 2.783 6.497 -0.941 72 3HD2 LEU 9 HD21 LEU 9 2.832 8.080 -1.715 73 H VAL 10 HN VAL 10 -2.035 5.880 -3.874 74 HA VAL 10 HA VAL 10 -1.045 3.121 -4.244 75 HB VAL 10 HB VAL 10 -2.134 4.555 -6.584 76 1HG1 VAL 10 HG12 VAL 10 -1.753 2.005 -6.136 77 2HG1 VAL 10 HG11 VAL 10 -3.274 2.110 -5.250 78 3HG1 VAL 10 HG13 VAL 10 -3.221 2.515 -6.964 79 1HG2 VAL 10 HG22 VAL 10 -3.711 4.266 -4.016 80 2HG2 VAL 10 HG21 VAL 10 -3.518 5.704 -5.017 81 3HG2 VAL 10 HG23 VAL 10 -4.496 4.356 -5.592 82 H VAL 11 HN VAL 11 1.185 3.190 -4.456 83 HA VAL 11 HA VAL 11 2.380 5.251 -6.173 84 HB VAL 11 HB VAL 11 3.691 3.184 -4.398 85 1HG1 VAL 11 HG13 VAL 11 4.708 5.041 -6.418 86 2HG1 VAL 11 HG12 VAL 11 5.439 5.302 -4.834 87 3HG1 VAL 11 HG11 VAL 11 5.534 3.716 -5.597 88 1HG2 VAL 11 HG23 VAL 11 2.872 6.058 -4.029 89 2HG2 VAL 11 HG22 VAL 11 2.623 4.693 -2.942 90 3HG2 VAL 11 HG21 VAL 11 4.229 5.393 -3.124 91 H ASP 12 HN ASP 12 2.756 4.801 -8.264 92 HA ASP 12 HA ASP 12 4.095 2.442 -9.165 93 1HB ASP 12 HB2 ASP 12 1.490 1.825 -8.694 94 2HB ASP 12 HB1 ASP 12 1.386 2.409 -10.362 95 H ASP 13 HN ASP 13 3.657 2.282 -11.711 96 HA ASP 13 HA ASP 13 3.681 5.088 -12.748 97 1HB ASP 13 HB2 ASP 13 5.330 4.466 -14.310 98 2HB ASP 13 HB1 ASP 13 5.827 3.613 -12.849 99 H PHE 14 HN PHE 14 1.605 2.628 -12.481 100 HA PHE 14 HA PHE 14 0.905 2.134 -15.236 101 1HB PHE 14 HB2 PHE 14 -1.428 1.537 -14.128 102 2HB PHE 14 HB1 PHE 14 -0.051 0.474 -13.905 103 HD1 PHE 14 HD2 PHE 14 -1.284 3.643 -12.299 104 HD2 PHE 14 HD1 PHE 14 0.055 -0.401 -11.782 105 HE1 PHE 14 HE2 PHE 14 -1.561 3.867 -9.836 106 HE2 PHE 14 HE1 PHE 14 -0.237 -0.180 -9.319 107 HZ PHE 14 HZ PHE 14 -1.055 1.952 -8.359 108 H SER 15 HN SER 15 -1.181 2.817 -16.171 109 HA SER 15 HA SER 15 -2.089 5.521 -15.304 110 1HB SER 15 HB2 SER 15 -2.135 6.255 -17.653 111 2HB SER 15 HB1 SER 15 -0.494 5.772 -17.232 112 HG SER 15 HG SER 15 -2.089 3.726 -18.140 113 H THR 16 HN THR 16 -2.942 2.785 -14.962 114 HA THR 16 HA THR 16 -5.689 2.965 -16.036 115 HB THR 16 HB THR 16 -5.046 1.586 -17.765 116 HG1 THR 16 HG1 THR 16 -4.903 -0.166 -15.533 117 1HG2 THR 16 HG22 THR 16 -2.662 0.938 -16.001 118 2HG2 THR 16 HG21 THR 16 -2.923 0.169 -17.560 119 3HG2 THR 16 HG23 THR 16 -2.675 1.911 -17.466 120 H MET 17 HN MET 17 -3.496 0.595 -14.530 121 HA MET 17 HA MET 17 -5.302 -0.746 -12.933 122 1HB MET 17 HB2 MET 17 -3.207 -1.667 -12.774 123 2HB MET 17 HB1 MET 17 -2.409 -0.103 -12.721 124 1HG MET 17 HG2 MET 17 -2.922 0.195 -10.422 125 2HG MET 17 HG1 MET 17 -4.113 -1.084 -10.466 126 1HE MET 17 HE2 MET 17 -2.915 -1.169 -8.356 127 2HE MET 17 HE1 MET 17 -2.690 -2.916 -8.312 128 3HE MET 17 HE3 MET 17 -1.313 -1.838 -8.054 129 NH1 ARG 18 NH2 ARG 18 -5.147 8.928 -13.229 130 NH2 ARG 18 NH1 ARG 18 -4.586 10.077 -11.365 131 H ARG 18 HN ARG 18 -3.393 2.139 -11.830 132 HA ARG 18 HA ARG 18 -4.448 2.687 -9.383 133 1HB ARG 18 HB2 ARG 18 -3.702 4.790 -9.721 134 2HB ARG 18 HB1 ARG 18 -3.258 4.228 -11.317 135 1HG ARG 18 HG2 ARG 18 -5.512 4.947 -12.157 136 2HG ARG 18 HG1 ARG 18 -5.796 5.688 -10.576 137 1HD ARG 18 HD2 ARG 18 -3.263 6.585 -11.328 138 2HD ARG 18 HD1 ARG 18 -4.207 6.645 -12.816 139 HE ARG 18 HE ARG 18 -5.451 7.832 -10.407 140 1HH1 ARG 18 HH21 ARG 18 -5.385 8.066 -13.676 141 2HH1 ARG 18 HH22 ARG 18 -5.103 9.773 -13.763 142 1HH2 ARG 18 HH11 ARG 18 -4.393 10.095 -10.384 143 2HH2 ARG 18 HH12 ARG 18 -4.542 10.921 -11.899 144 NH1 ARG 19 NH2 ARG 19 -12.194 0.673 -15.542 145 NH2 ARG 19 NH1 ARG 19 -12.964 0.467 -13.427 146 H ARG 19 HN ARG 19 -6.241 2.908 -12.419 147 HA ARG 19 HA ARG 19 -8.509 4.186 -11.243 148 1HB ARG 19 HB2 ARG 19 -7.979 4.091 -13.715 149 2HB ARG 19 HB1 ARG 19 -8.513 2.409 -13.695 150 1HG ARG 19 HG2 ARG 19 -10.573 3.726 -12.396 151 2HG ARG 19 HG1 ARG 19 -10.108 4.869 -13.657 152 1HD ARG 19 HD2 ARG 19 -11.736 3.445 -14.662 153 2HD ARG 19 HD1 ARG 19 -10.180 2.886 -15.276 154 HE ARG 19 HE ARG 19 -10.480 1.262 -13.132 155 1HH1 ARG 19 HH21 ARG 19 -11.512 1.020 -16.186 156 2HH1 ARG 19 HH22 ARG 19 -12.968 0.134 -15.876 157 1HH2 ARG 19 HH11 ARG 19 -12.871 0.658 -12.450 158 2HH2 ARG 19 HH12 ARG 19 -13.738 -0.071 -13.761 159 H ILE 20 HN ILE 20 -7.789 0.781 -12.005 160 HA ILE 20 HA ILE 20 -10.224 -0.375 -11.179 161 HB ILE 20 HB ILE 20 -7.388 -1.291 -11.354 162 1HG1 ILE 20 HG12 ILE 20 -8.437 -3.011 -12.781 163 2HG1 ILE 20 HG11 ILE 20 -10.033 -2.390 -12.359 164 1HG2 ILE 20 HG21 ILE 20 -9.536 -2.688 -9.745 165 2HG2 ILE 20 HG23 ILE 20 -8.213 -3.575 -10.498 166 3HG2 ILE 20 HG22 ILE 20 -7.865 -2.351 -9.280 167 1HD1 ILE 20 HD12 ILE 20 -7.885 -0.671 -13.623 168 2HD1 ILE 20 HD11 ILE 20 -9.090 -1.547 -14.568 169 3HD1 ILE 20 HD13 ILE 20 -9.598 -0.292 -13.438 170 H VAL 21 HN VAL 21 -7.262 -0.014 -9.215 171 HA VAL 21 HA VAL 21 -8.373 -0.820 -6.763 172 HB VAL 21 HB VAL 21 -6.534 1.202 -6.120 173 1HG1 VAL 21 HG11 VAL 21 -6.223 -1.769 -6.632 174 2HG1 VAL 21 HG13 VAL 21 -5.016 -0.776 -5.815 175 3HG1 VAL 21 HG12 VAL 21 -6.611 -0.996 -5.095 176 1HG2 VAL 21 HG22 VAL 21 -6.145 1.342 -8.613 177 2HG2 VAL 21 HG21 VAL 21 -4.719 0.888 -7.687 178 3HG2 VAL 21 HG23 VAL 21 -5.623 -0.341 -8.567 179 NH1 ARG 22 NH2 ARG 22 -6.667 8.696 -7.360 180 NH2 ARG 22 NH1 ARG 22 -6.773 9.054 -9.589 181 H ARG 22 HN ARG 22 -8.271 2.448 -8.193 182 HA ARG 22 HA ARG 22 -9.285 3.985 -6.105 183 1HB ARG 22 HB2 ARG 22 -9.354 4.115 -9.031 184 2HB ARG 22 HB1 ARG 22 -10.745 4.895 -8.280 185 1HG ARG 22 HG2 ARG 22 -9.325 6.316 -6.947 186 2HG ARG 22 HG1 ARG 22 -7.885 5.420 -7.433 187 1HD ARG 22 HD2 ARG 22 -7.832 6.370 -9.540 188 2HD ARG 22 HD1 ARG 22 -9.579 6.613 -9.587 189 HE ARG 22 HE ARG 22 -9.287 8.617 -8.237 190 1HH1 ARG 22 HH21 ARG 22 -7.084 8.358 -6.516 191 2HH1 ARG 22 HH22 ARG 22 -5.752 9.100 -7.339 192 1HH2 ARG 22 HH11 ARG 22 -7.271 8.989 -10.454 193 2HH2 ARG 22 HH12 ARG 22 -5.859 9.457 -9.567 194 H ASN 23 HN ASN 23 -11.232 2.200 -8.504 195 HA ASN 23 HA ASN 23 -13.766 2.669 -7.285 196 1HB ASN 23 HB2 ASN 23 -12.747 1.462 -9.557 197 2HB ASN 23 HB1 ASN 23 -13.407 0.123 -8.659 198 1HD2 ASN 23 HD22 ASN 23 -16.789 1.082 -9.152 199 2HD2 ASN 23 HD21 ASN 23 -15.728 0.014 -8.368 200 H LEU 24 HN LEU 24 -11.725 -0.218 -7.353 201 HA LEU 24 HA LEU 24 -13.001 -1.976 -5.700 202 1HB LEU 24 HB2 LEU 24 -10.676 -2.152 -6.751 203 2HB LEU 24 HB1 LEU 24 -10.086 -1.311 -5.332 204 HG LEU 24 HG LEU 24 -11.802 -3.562 -4.596 205 1HD1 LEU 24 HD11 LEU 24 -9.418 -4.093 -6.379 206 2HD1 LEU 24 HD13 LEU 24 -10.139 -5.317 -5.335 207 3HD1 LEU 24 HD12 LEU 24 -11.088 -4.601 -6.637 208 1HD2 LEU 24 HD21 LEU 24 -9.084 -2.533 -3.871 209 2HD2 LEU 24 HD23 LEU 24 -10.411 -3.048 -2.837 210 3HD2 LEU 24 HD22 LEU 24 -9.383 -4.244 -3.616 211 H LEU 25 HN LEU 25 -10.770 0.537 -4.422 212 HA LEU 25 HA LEU 25 -11.322 0.081 -1.682 213 1HB LEU 25 HB2 LEU 25 -10.413 2.498 -3.231 214 2HB LEU 25 HB1 LEU 25 -10.772 2.635 -1.514 215 HG LEU 25 HG LEU 25 -9.032 0.374 -2.404 216 1HD1 LEU 25 HD11 LEU 25 -8.115 3.251 -2.105 217 2HD1 LEU 25 HD13 LEU 25 -7.044 1.857 -2.242 218 3HD1 LEU 25 HD12 LEU 25 -8.088 2.302 -3.592 219 1HD2 LEU 25 HD21 LEU 25 -9.746 0.620 -0.044 220 2HD2 LEU 25 HD23 LEU 25 -8.001 0.817 -0.203 221 3HD2 LEU 25 HD22 LEU 25 -9.033 2.232 -0.001 222 H LYS 26 HN LYS 26 -12.839 2.464 -3.892 223 HA LYS 26 HA LYS 26 -14.717 3.504 -2.104 224 1HB LYS 26 HB2 LYS 26 -14.279 4.207 -4.529 225 2HB LYS 26 HB1 LYS 26 -15.370 2.901 -4.991 226 1HG LYS 26 HG2 LYS 26 -16.786 4.176 -2.992 227 2HG LYS 26 HG1 LYS 26 -15.985 5.519 -3.803 228 1HD LYS 26 HD2 LYS 26 -17.638 3.385 -5.192 229 2HD LYS 26 HD1 LYS 26 -18.192 5.017 -4.818 230 1HE LYS 26 HE2 LYS 26 -15.680 5.254 -6.144 231 2HE LYS 26 HE1 LYS 26 -16.677 4.142 -7.084 232 1HZ LYS 26 HZ1 LYS 26 -17.710 6.727 -6.082 233 2HZ LYS 26 HZ3 LYS 26 -16.931 6.590 -7.582 234 3HZ LYS 26 HZ2 LYS 26 -18.366 5.729 -7.291 235 H GLU 27 HN GLU 27 -14.863 0.523 -4.017 236 HA GLU 27 HA GLU 27 -17.512 -0.234 -3.559 237 1HB GLU 27 HB2 GLU 27 -15.268 -1.450 -4.635 238 2HB GLU 27 HB1 GLU 27 -15.633 -2.460 -3.235 239 1HG GLU 27 HG2 GLU 27 -17.992 -2.634 -4.010 240 2HG GLU 27 HG1 GLU 27 -17.566 -1.702 -5.445 241 H LEU 28 HN LEU 28 -14.765 -0.277 -1.381 242 HA LEU 28 HA LEU 28 -16.244 -1.759 0.683 243 1HB LEU 28 HB2 LEU 28 -13.600 -1.595 0.158 244 2HB LEU 28 HB1 LEU 28 -13.737 -0.315 1.365 245 HG LEU 28 HG LEU 28 -14.695 -3.173 1.714 246 1HD1 LEU 28 HD11 LEU 28 -12.177 -2.719 1.724 247 2HD1 LEU 28 HD13 LEU 28 -12.460 -1.750 3.169 248 3HD1 LEU 28 HD12 LEU 28 -12.835 -3.473 3.176 249 1HD2 LEU 28 HD21 LEU 28 -14.816 -0.696 3.439 250 2HD2 LEU 28 HD23 LEU 28 -16.121 -1.807 3.025 251 3HD2 LEU 28 HD22 LEU 28 -14.859 -2.309 4.149 252 H GLY 29 HN GLY 29 -14.653 1.444 0.635 253 1HA GLY 29 HA2 GLY 29 -16.727 3.097 1.267 254 2HA GLY 29 HA1 GLY 29 -16.328 2.352 2.811 255 H PHE 30 HN PHE 30 -14.799 4.122 0.115 256 HA PHE 30 HA PHE 30 -13.275 5.677 2.106 257 1HB PHE 30 HB2 PHE 30 -11.924 4.058 -0.072 258 2HB PHE 30 HB1 PHE 30 -11.112 5.244 0.941 259 HD1 PHE 30 HD2 PHE 30 -11.729 4.879 3.607 260 HD2 PHE 30 HD1 PHE 30 -11.649 1.843 0.572 261 HE1 PHE 30 HE2 PHE 30 -11.402 3.148 5.346 262 HE2 PHE 30 HE1 PHE 30 -11.320 0.112 2.313 263 HZ PHE 30 HZ PHE 30 -11.196 0.764 4.701 264 H ASN 31 HN ASN 31 -12.374 7.657 1.167 265 HA ASN 31 HA ASN 31 -13.083 8.221 -1.644 266 1HB ASN 31 HB2 ASN 31 -14.890 8.851 0.370 267 2HB ASN 31 HB1 ASN 31 -14.046 10.372 0.096 268 1HD2 ASN 31 HD22 ASN 31 -16.139 10.942 -2.682 269 2HD2 ASN 31 HD21 ASN 31 -15.502 11.530 -1.223 270 H ASN 32 HN ASN 32 -10.524 8.046 -0.376 271 HA ASN 32 HA ASN 32 -9.502 10.716 -1.048 272 1HB ASN 32 HB2 ASN 32 -10.150 10.293 1.602 273 2HB ASN 32 HB1 ASN 32 -8.440 9.864 1.558 274 1HD2 ASN 32 HD22 ASN 32 -9.226 13.687 1.787 275 2HD2 ASN 32 HD21 ASN 32 -10.148 12.413 2.426 276 H VAL 33 HN VAL 33 -7.974 10.016 -2.490 277 HA VAL 33 HA VAL 33 -5.878 8.155 -1.495 278 HB VAL 33 HB VAL 33 -7.453 7.779 -4.062 279 1HG1 VAL 33 HG13 VAL 33 -4.784 6.897 -3.232 280 2HG1 VAL 33 HG12 VAL 33 -5.833 5.570 -3.719 281 3HG1 VAL 33 HG11 VAL 33 -5.521 6.901 -4.832 282 1HG2 VAL 33 HG23 VAL 33 -7.387 6.384 -1.410 283 2HG2 VAL 33 HG22 VAL 33 -8.765 6.772 -2.432 284 3HG2 VAL 33 HG21 VAL 33 -7.697 5.437 -2.860 285 H GLU 34 HN GLU 34 -3.836 8.488 -2.512 286 HA GLU 34 HA GLU 34 -3.756 10.704 -4.533 287 1HB GLU 34 HB2 GLU 34 -2.157 10.259 -2.056 288 2HB GLU 34 HB1 GLU 34 -1.328 10.930 -3.457 289 1HG GLU 34 HG2 GLU 34 -3.977 12.088 -2.657 290 2HG GLU 34 HG1 GLU 34 -2.542 12.544 -1.742 291 H GLU 35 HN GLU 35 -1.182 10.479 -5.388 292 HA GLU 35 HA GLU 35 -0.656 7.615 -5.908 293 1HB GLU 35 HB2 GLU 35 -1.221 9.598 -8.133 294 2HB GLU 35 HB1 GLU 35 -0.684 7.933 -8.354 295 1HG GLU 35 HG2 GLU 35 -2.747 7.216 -7.053 296 2HG GLU 35 HG1 GLU 35 -3.307 8.883 -7.181 297 H ALA 36 HN ALA 36 1.426 7.235 -6.802 298 HA ALA 36 HA ALA 36 3.234 9.589 -7.018 299 1HB ALA 36 HB3 ALA 36 3.199 8.263 -4.691 300 2HB ALA 36 HB2 ALA 36 4.269 7.184 -5.583 301 3HB ALA 36 HB1 ALA 36 4.696 8.882 -5.380 302 H GLU 37 HN GLU 37 5.573 8.386 -7.618 303 HA GLU 37 HA GLU 37 4.887 6.578 -9.906 304 1HB GLU 37 HB2 GLU 37 7.137 8.593 -9.708 305 2HB GLU 37 HB1 GLU 37 6.796 7.558 -11.094 306 1HG GLU 37 HG2 GLU 37 4.592 9.294 -10.045 307 2HG GLU 37 HG1 GLU 37 5.868 10.043 -11.003 308 H ASP 38 HN ASP 38 6.383 6.601 -6.924 309 HA ASP 38 HA ASP 38 7.423 4.035 -6.997 310 1HB ASP 38 HB2 ASP 38 9.053 4.315 -8.621 311 2HB ASP 38 HB1 ASP 38 9.291 6.021 -8.240 312 H GLY 39 HN GLY 39 9.059 3.662 -5.187 313 1HA GLY 39 HA2 GLY 39 8.275 4.717 -2.771 314 2HA GLY 39 HA1 GLY 39 9.916 4.137 -3.043 315 H VAL 40 HN VAL 40 11.057 6.001 -4.667 316 HA VAL 40 HA VAL 40 11.595 8.166 -2.907 317 HB VAL 40 HB VAL 40 12.965 7.305 -4.946 318 1HG1 VAL 40 HG11 VAL 40 11.010 7.809 -6.529 319 2HG1 VAL 40 HG13 VAL 40 11.440 9.509 -6.349 320 3HG1 VAL 40 HG12 VAL 40 12.598 8.374 -7.039 321 1HG2 VAL 40 HG23 VAL 40 12.622 10.245 -4.292 322 2HG2 VAL 40 HG22 VAL 40 13.753 9.116 -3.546 323 3HG2 VAL 40 HG21 VAL 40 13.971 9.599 -5.228 324 H ASP 41 HN ASP 41 9.416 7.937 -5.695 325 HA ASP 41 HA ASP 41 8.560 10.651 -5.732 326 1HB ASP 41 HB2 ASP 41 8.039 8.744 -7.390 327 2HB ASP 41 HB1 ASP 41 6.757 8.293 -6.275 328 H ALA 42 HN ALA 42 7.331 7.815 -4.002 329 HA ALA 42 HA ALA 42 5.194 9.101 -2.618 330 1HB ALA 42 HB2 ALA 42 6.253 6.538 -2.719 331 2HB ALA 42 HB1 ALA 42 6.598 7.046 -1.066 332 3HB ALA 42 HB3 ALA 42 4.941 7.058 -1.664 333 H LEU 43 HN LEU 43 8.646 8.703 -1.813 334 HA LEU 43 HA LEU 43 8.668 9.728 0.793 335 1HB LEU 43 HB2 LEU 43 10.621 8.991 -0.901 336 2HB LEU 43 HB1 LEU 43 10.753 10.734 -1.104 337 HG LEU 43 HG LEU 43 12.266 10.057 0.663 338 1HD1 LEU 43 HD13 LEU 43 10.754 12.146 0.896 339 2HD1 LEU 43 HD12 LEU 43 9.895 11.210 2.120 340 3HD1 LEU 43 HD11 LEU 43 11.606 11.578 2.331 341 1HD2 LEU 43 HD22 LEU 43 10.315 8.119 1.225 342 2HD2 LEU 43 HD21 LEU 43 11.807 8.398 2.122 343 3HD2 LEU 43 HD23 LEU 43 10.312 9.181 2.631 344 H ASN 44 HN ASN 44 8.504 11.476 -2.292 345 HA ASN 44 HA ASN 44 8.408 14.072 -0.890 346 1HB ASN 44 HB2 ASN 44 8.520 13.175 -3.743 347 2HB ASN 44 HB1 ASN 44 7.907 14.791 -3.391 348 1HD2 ASN 44 HD22 ASN 44 11.878 14.055 -3.104 349 2HD2 ASN 44 HD21 ASN 44 10.787 12.862 -3.621 350 H LYS 45 HN LYS 45 6.186 11.866 -2.518 351 HA LYS 45 HA LYS 45 3.962 13.793 -2.270 352 1HB LYS 45 HB2 LYS 45 4.537 11.521 -3.912 353 2HB LYS 45 HB1 LYS 45 3.065 11.173 -3.012 354 1HG LYS 45 HG2 LYS 45 3.483 13.773 -4.518 355 2HG LYS 45 HG1 LYS 45 2.744 12.353 -5.250 356 1HD LYS 45 HD2 LYS 45 1.078 12.346 -3.339 357 2HD LYS 45 HD1 LYS 45 1.725 13.916 -2.864 358 1HE LYS 45 HE2 LYS 45 0.092 13.181 -5.249 359 2HE LYS 45 HE1 LYS 45 0.041 14.639 -4.257 360 1HZ LYS 45 HZ3 LYS 45 2.301 13.986 -6.059 361 2HZ LYS 45 HZ2 LYS 45 0.975 14.932 -6.541 362 3HZ LYS 45 HZ1 LYS 45 1.987 15.461 -5.283 363 H LEU 46 HN LEU 46 4.590 10.447 -1.160 364 HA LEU 46 HA LEU 46 2.435 10.098 0.528 365 1HB LEU 46 HB2 LEU 46 4.338 8.482 0.068 366 2HB LEU 46 HB1 LEU 46 5.256 9.318 1.312 367 HG LEU 46 HG LEU 46 2.505 8.447 2.086 368 1HD1 LEU 46 HD11 LEU 46 4.557 6.545 1.130 369 2HD1 LEU 46 HD13 LEU 46 3.926 6.210 2.737 370 3HD1 LEU 46 HD12 LEU 46 2.828 6.323 1.370 371 1HD2 LEU 46 HD21 LEU 46 4.472 9.548 3.488 372 2HD2 LEU 46 HD23 LEU 46 3.412 8.337 4.204 373 3HD2 LEU 46 HD22 LEU 46 5.006 7.877 3.613 374 H GLN 47 HN GLN 47 5.162 12.226 1.008 375 HA GLN 47 HA GLN 47 4.704 12.678 3.836 376 1HB GLN 47 HB2 GLN 47 6.824 13.196 2.368 377 2HB GLN 47 HB1 GLN 47 5.989 14.715 2.034 378 1HG GLN 47 HG2 GLN 47 5.767 15.099 4.484 379 2HG GLN 47 HG1 GLN 47 6.691 13.623 4.776 380 1HE2 GLN 47 HE22 GLN 47 9.578 15.672 4.772 381 2HE2 GLN 47 HE21 GLN 47 8.577 14.639 5.672 382 H ALA 48 HN ALA 48 2.604 13.099 1.531 383 HA ALA 48 HA ALA 48 1.799 15.753 1.362 384 1HB ALA 48 HB3 ALA 48 0.757 13.577 0.352 385 2HB ALA 48 HB2 ALA 48 -0.246 13.596 1.803 386 3HB ALA 48 HB1 ALA 48 -0.293 14.955 0.680 387 H GLY 49 HN GLY 49 0.688 13.406 3.857 388 1HA GLY 49 HA2 GLY 49 0.918 15.283 5.998 389 2HA GLY 49 HA1 GLY 49 -0.743 15.313 5.406 390 H GLY 50 HN GLY 50 1.295 12.421 5.424 391 1HA GLY 50 HA2 GLY 50 1.225 10.598 6.984 392 2HA GLY 50 HA1 GLY 50 -0.124 11.388 7.806 393 OH TYR 51 OH TYR 51 -1.033 11.410 -0.383 394 H TYR 51 HN TYR 51 0.550 8.730 6.062 395 HA TYR 51 HA TYR 51 -2.081 8.727 4.648 396 1HB TYR 51 HB2 TYR 51 0.582 7.518 4.055 397 2HB TYR 51 HB1 TYR 51 -0.868 6.679 3.503 398 HD1 TYR 51 HD2 TYR 51 1.064 9.810 3.320 399 HD2 TYR 51 HD1 TYR 51 -2.310 7.625 1.819 400 HE1 TYR 51 HE2 TYR 51 0.809 11.464 1.494 401 HE2 TYR 51 HE1 TYR 51 -2.574 9.280 -0.004 402 HH TYR 51 HH TYR 51 -0.581 12.212 -0.112 403 H GLY 52 HN GLY 52 -3.520 7.793 5.995 404 1HA GLY 52 HA2 GLY 52 -2.892 5.874 8.006 405 2HA GLY 52 HA1 GLY 52 -4.500 6.169 7.364 406 H PHE 53 HN PHE 53 -2.606 5.532 4.739 407 HA PHE 53 HA PHE 53 -2.389 2.653 4.961 408 1HB PHE 53 HB2 PHE 53 -4.940 3.642 4.470 409 2HB PHE 53 HB1 PHE 53 -4.338 3.220 2.880 410 HD1 PHE 53 HD1 PHE 53 -2.600 0.868 3.473 411 HD2 PHE 53 HD2 PHE 53 -6.448 1.954 4.999 412 HE1 PHE 53 HE1 PHE 53 -3.103 -1.507 3.919 413 HE2 PHE 53 HE2 PHE 53 -6.953 -0.407 5.455 414 HZ PHE 53 HZ PHE 53 -5.276 -2.158 4.917 415 H VAL 54 HN VAL 54 -1.160 1.836 3.198 416 HA VAL 54 HA VAL 54 -0.720 3.655 0.875 417 HB VAL 54 HB VAL 54 1.477 2.451 2.548 418 1HG1 VAL 54 HG12 VAL 54 1.379 3.444 -0.220 419 2HG1 VAL 54 HG11 VAL 54 2.688 4.111 0.752 420 3HG1 VAL 54 HG13 VAL 54 2.544 2.369 0.549 421 1HG2 VAL 54 HG21 VAL 54 0.470 4.521 3.486 422 2HG2 VAL 54 HG23 VAL 54 2.129 4.774 2.962 423 3HG2 VAL 54 HG22 VAL 54 0.795 5.343 1.962 424 H ILE 55 HN ILE 55 -0.827 2.507 -0.969 425 HA ILE 55 HA ILE 55 -0.425 -0.463 -0.830 426 HB ILE 55 HB ILE 55 -1.967 1.205 -2.855 427 1HG1 ILE 55 HG12 ILE 55 -3.041 -0.735 -0.789 428 2HG1 ILE 55 HG11 ILE 55 -2.955 1.006 -0.515 429 1HG2 ILE 55 HG21 ILE 55 -1.515 -1.768 -2.527 430 2HG2 ILE 55 HG23 ILE 55 -2.810 -1.099 -3.520 431 3HG2 ILE 55 HG22 ILE 55 -1.125 -0.766 -3.925 432 1HD1 ILE 55 HD11 ILE 55 -4.174 0.232 -3.089 433 2HD1 ILE 55 HD13 ILE 55 -5.091 -0.262 -1.666 434 3HD1 ILE 55 HD12 ILE 55 -4.696 1.439 -1.915 435 H SER 56 HN SER 56 1.861 -0.427 -1.229 436 HA SER 56 HA SER 56 2.843 1.066 -3.586 437 1HB SER 56 HB2 SER 56 5.068 0.361 -2.846 438 2HB SER 56 HB1 SER 56 4.175 1.038 -1.488 439 HG SER 56 HG SER 56 4.354 -0.820 -0.547 440 H ASP 57 HN ASP 57 3.554 0.083 -5.481 441 HA ASP 57 HA ASP 57 2.857 -2.806 -5.772 442 1HB ASP 57 HB2 ASP 57 2.165 -0.577 -7.304 443 2HB ASP 57 HB1 ASP 57 3.413 -1.392 -8.248 444 CH2 TRP 58 CH2 TRP 58 10.045 -6.342 -2.146 445 H TRP 58 HN TRP 58 5.495 -1.626 -4.756 446 HA TRP 58 HA TRP 58 7.773 -2.178 -5.022 447 1HB TRP 58 HB2 TRP 58 6.427 -4.430 -5.625 448 2HB TRP 58 HB1 TRP 58 7.135 -4.111 -7.207 449 HD1 TRP 58 HD1 TRP 58 9.795 -4.136 -7.402 450 HE1 TRP 58 HE1 TRP 58 11.601 -5.247 -5.935 451 HE3 TRP 58 HE3 TRP 58 7.060 -5.066 -3.189 452 HZ2 TRP 58 HZ2 TRP 58 11.849 -6.385 -3.319 453 HZ3 TRP 58 HZ3 TRP 58 8.109 -6.159 -1.226 454 HH2 TRP 58 HH2 TRP 58 10.496 -6.817 -1.288 455 H ASN 59 HN ASN 59 9.466 -1.413 -6.356 456 HA ASN 59 HA ASN 59 8.897 -0.844 -9.186 457 1HB ASN 59 HB2 ASN 59 9.935 1.472 -7.619 458 2HB ASN 59 HB1 ASN 59 8.958 1.467 -9.087 459 1HD2 ASN 59 HD22 ASN 59 5.854 1.106 -7.282 460 2HD2 ASN 59 HD21 ASN 59 6.601 0.713 -8.754 461 H MET 60 HN MET 60 10.930 0.077 -10.277 462 HA MET 60 HA MET 60 13.397 -0.581 -8.776 463 1HB MET 60 HB2 MET 60 14.220 -1.980 -10.653 464 2HB MET 60 HB1 MET 60 12.794 -2.660 -9.868 465 1HG MET 60 HG2 MET 60 11.797 -2.714 -11.885 466 2HG MET 60 HG1 MET 60 11.795 -0.951 -11.867 467 1HE MET 60 HE2 MET 60 12.587 -3.904 -13.759 468 2HE MET 60 HE1 MET 60 11.759 -2.541 -14.509 469 3HE MET 60 HE3 MET 60 13.301 -3.114 -15.162 470 HA PRO 61 HA PRO 61 13.820 2.692 -12.381 471 1HB PRO 61 HB2 PRO 61 13.434 4.926 -10.617 472 2HB PRO 61 HB1 PRO 61 12.486 4.513 -12.053 473 1HG PRO 61 HG2 PRO 61 11.727 4.244 -9.263 474 2HG PRO 61 HG1 PRO 61 10.740 3.959 -10.703 475 1HD PRO 61 HD2 PRO 61 11.770 1.980 -8.935 476 2HD PRO 61 HD1 PRO 61 10.958 1.728 -10.496 477 H ASN 62 HN ASN 62 14.287 3.391 -8.917 478 HA ASN 62 HA ASN 62 17.186 2.979 -9.129 479 1HB ASN 62 HB2 ASN 62 16.875 5.504 -7.821 480 2HB ASN 62 HB1 ASN 62 17.763 5.153 -9.305 481 1HD2 ASN 62 HD22 ASN 62 15.083 6.207 -11.453 482 2HD2 ASN 62 HD21 ASN 62 16.437 5.185 -11.373 483 H MET 63 HN MET 63 14.251 3.443 -7.368 484 HA MET 63 HA MET 63 15.455 2.163 -4.993 485 1HB MET 63 HB2 MET 63 14.045 4.850 -4.872 486 2HB MET 63 HB1 MET 63 14.488 3.881 -3.468 487 1HG MET 63 HG2 MET 63 16.888 3.958 -4.322 488 2HG MET 63 HG1 MET 63 16.344 5.164 -5.484 489 1HE MET 63 HE2 MET 63 16.493 3.962 -2.031 490 2HE MET 63 HE1 MET 63 16.775 5.356 -0.994 491 3HE MET 63 HE3 MET 63 15.128 4.921 -1.466 492 H ASP 64 HN ASP 64 14.066 0.398 -5.070 493 HA ASP 64 HA ASP 64 11.365 0.446 -5.941 494 1HB ASP 64 HB2 ASP 64 11.131 -1.717 -4.775 495 2HB ASP 64 HB1 ASP 64 12.641 -1.647 -5.677 496 H GLY 65 HN GLY 65 9.636 -0.469 -4.158 497 1HA GLY 65 HA2 GLY 65 9.277 1.822 -2.349 498 2HA GLY 65 HA1 GLY 65 8.082 0.572 -2.671 499 H LEU 66 HN LEU 66 10.795 -1.170 -2.123 500 HA LEU 66 HA LEU 66 9.942 -1.992 0.491 501 1HB LEU 66 HB2 LEU 66 11.225 -3.526 -0.917 502 2HB LEU 66 HB1 LEU 66 12.598 -2.420 -0.923 503 HG LEU 66 HG LEU 66 12.896 -2.707 1.491 504 1HD1 LEU 66 HD12 LEU 66 10.300 -4.190 1.218 505 2HD1 LEU 66 HD11 LEU 66 11.425 -4.645 2.497 506 3HD1 LEU 66 HD13 LEU 66 10.784 -3.004 2.431 507 1HD2 LEU 66 HD23 LEU 66 12.768 -5.123 -0.274 508 2HD2 LEU 66 HD22 LEU 66 14.164 -4.360 0.484 509 3HD2 LEU 66 HD21 LEU 66 13.077 -5.362 1.445 510 H GLU 67 HN GLU 67 12.725 -0.026 -0.602 511 HA GLU 67 HA GLU 67 13.809 0.644 1.900 512 1HB GLU 67 HB2 GLU 67 14.497 1.396 -0.526 513 2HB GLU 67 HB1 GLU 67 13.439 2.770 -0.202 514 1HG GLU 67 HG2 GLU 67 15.383 3.638 0.662 515 2HG GLU 67 HG1 GLU 67 14.829 2.773 2.096 516 H LEU 68 HN LEU 68 10.815 1.534 0.424 517 HA LEU 68 HA LEU 68 10.189 3.814 2.089 518 1HB LEU 68 HB2 LEU 68 9.070 2.689 -0.144 519 2HB LEU 68 HB1 LEU 68 7.963 2.126 1.104 520 HG LEU 68 HG LEU 68 7.843 4.536 1.916 521 1HD1 LEU 68 HD13 LEU 68 9.910 4.840 0.006 522 2HD1 LEU 68 HD12 LEU 68 8.504 5.675 -0.651 523 3HD1 LEU 68 HD11 LEU 68 9.121 6.110 0.941 524 1HD2 LEU 68 HD23 LEU 68 6.103 3.404 0.500 525 2HD2 LEU 68 HD22 LEU 68 6.196 5.143 0.230 526 3HD2 LEU 68 HD21 LEU 68 6.921 4.032 -0.930 527 H LEU 69 HN LEU 69 9.011 0.439 2.116 528 HA LEU 69 HA LEU 69 7.605 0.434 4.536 529 1HB LEU 69 HB2 LEU 69 8.249 -1.427 2.719 530 2HB LEU 69 HB1 LEU 69 9.373 -1.877 3.998 531 HG LEU 69 HG LEU 69 6.370 -1.603 4.253 532 1HD1 LEU 69 HD12 LEU 69 8.154 -3.805 3.602 533 2HD1 LEU 69 HD11 LEU 69 7.206 -4.152 5.044 534 3HD1 LEU 69 HD13 LEU 69 6.397 -3.735 3.534 535 1HD2 LEU 69 HD22 LEU 69 8.555 -1.956 6.274 536 2HD2 LEU 69 HD21 LEU 69 7.066 -1.036 6.407 537 3HD2 LEU 69 HD23 LEU 69 7.033 -2.795 6.540 538 H LYS 70 HN LYS 70 11.035 -0.445 4.077 539 HA LYS 70 HA LYS 70 11.685 -0.667 6.839 540 1HB LYS 70 HB2 LYS 70 13.137 -0.511 4.299 541 2HB LYS 70 HB1 LYS 70 14.015 0.244 5.630 542 1HG LYS 70 HG2 LYS 70 13.937 -1.763 6.938 543 2HG LYS 70 HG1 LYS 70 12.784 -2.513 5.834 544 1HD LYS 70 HD2 LYS 70 14.389 -2.971 4.239 545 2HD LYS 70 HD1 LYS 70 15.388 -1.593 4.697 546 1HE LYS 70 HE2 LYS 70 16.036 -2.770 6.782 547 2HE LYS 70 HE1 LYS 70 15.068 -4.158 6.284 548 1HZ LYS 70 HZ1 LYS 70 17.034 -3.140 4.381 549 2HZ LYS 70 HZ3 LYS 70 17.630 -3.967 5.737 550 3HZ LYS 70 HZ2 LYS 70 16.541 -4.737 4.686 551 H THR 71 HN THR 71 12.103 2.117 4.619 552 HA THR 71 HA THR 71 13.032 3.895 6.696 553 HB THR 71 HB THR 71 11.752 4.536 4.019 554 HG1 THR 71 HG1 THR 71 14.362 3.966 4.883 555 1HG2 THR 71 HG21 THR 71 12.889 6.183 6.202 556 2HG2 THR 71 HG23 THR 71 13.435 6.593 4.577 557 3HG2 THR 71 HG22 THR 71 11.714 6.613 4.961 558 H ILE 72 HN ILE 72 9.947 2.672 5.896 559 HA ILE 72 HA ILE 72 8.403 4.947 6.888 560 HB ILE 72 HB ILE 72 7.853 2.223 5.869 561 1HG1 ILE 72 HG12 ILE 72 6.104 4.634 5.553 562 2HG1 ILE 72 HG11 ILE 72 7.644 4.552 4.700 563 1HG2 ILE 72 HG22 ILE 72 6.090 3.560 7.904 564 2HG2 ILE 72 HG21 ILE 72 5.442 2.444 6.710 565 3HG2 ILE 72 HG23 ILE 72 6.649 1.891 7.867 566 1HD1 ILE 72 HD13 ILE 72 5.959 2.111 4.529 567 2HD1 ILE 72 HD12 ILE 72 5.333 3.529 3.691 568 3HD1 ILE 72 HD11 ILE 72 6.926 2.896 3.285 569 NH1 ARG 73 NH1 ARG 73 11.447 -2.640 12.912 570 NH2 ARG 73 NH2 ARG 73 10.783 -4.107 11.327 571 H ARG 73 HN ARG 73 9.827 2.012 8.172 572 HA ARG 73 HA ARG 73 8.385 2.114 10.703 573 1HB ARG 73 HB2 ARG 73 10.423 0.419 9.436 574 2HB ARG 73 HB1 ARG 73 10.651 0.615 11.173 575 1HG ARG 73 HG2 ARG 73 8.463 -0.215 11.651 576 2HG ARG 73 HG1 ARG 73 7.976 -0.103 9.960 577 1HD ARG 73 HD2 ARG 73 8.637 -2.439 10.889 578 2HD ARG 73 HD1 ARG 73 9.295 -1.948 9.329 579 HE ARG 73 HE ARG 73 11.366 -1.234 10.680 580 1HH1 ARG 73 HH11 ARG 73 11.589 -1.697 13.215 581 2HH1 ARG 73 HH12 ARG 73 11.670 -3.400 13.521 582 1HH2 ARG 73 HH21 ARG 73 10.417 -4.289 10.414 583 2HH2 ARG 73 HH22 ARG 73 11.006 -4.867 11.936 584 H ALA 74 HN ALA 74 11.502 3.266 9.507 585 HA ALA 74 HA ALA 74 12.877 3.884 11.827 586 1HB ALA 74 HB3 ALA 74 13.183 4.549 9.200 587 2HB ALA 74 HB2 ALA 74 12.778 6.119 9.893 588 3HB ALA 74 HB1 ALA 74 14.166 5.217 10.503 589 H ASP 75 HN ASP 75 9.950 5.412 10.651 590 HA ASP 75 HA ASP 75 10.082 7.779 12.263 591 1HB ASP 75 HB2 ASP 75 7.993 6.332 10.733 592 2HB ASP 75 HB1 ASP 75 7.414 7.384 12.026 593 H GLY 76 HN GLY 76 10.903 6.794 14.288 594 1HA GLY 76 HA2 GLY 76 10.630 5.837 16.427 595 2HA GLY 76 HA1 GLY 76 9.108 6.726 16.383 596 H ALA 77 HN ALA 77 8.192 4.961 17.664 597 HA ALA 77 HA ALA 77 8.004 2.303 16.436 598 1HB ALA 77 HB3 ALA 77 8.061 2.871 18.972 599 2HB ALA 77 HB2 ALA 77 6.351 3.256 18.770 600 3HB ALA 77 HB1 ALA 77 6.936 1.628 18.424 601 H MET 78 HN MET 78 6.463 5.205 15.896 602 HA MET 78 HA MET 78 3.790 4.039 15.412 603 1HB MET 78 HB2 MET 78 4.345 6.457 16.289 604 2HB MET 78 HB1 MET 78 4.595 6.814 14.579 605 1HG MET 78 HG2 MET 78 2.321 7.277 14.816 606 2HG MET 78 HG1 MET 78 2.281 5.597 14.283 607 1HE MET 78 HE1 MET 78 -0.028 5.606 15.000 608 2HE MET 78 HE3 MET 78 0.565 4.019 15.508 609 3HE MET 78 HE2 MET 78 -0.502 4.943 16.563 610 H SER 79 HN SER 79 6.721 4.323 13.803 611 HA SER 79 HA SER 79 7.341 4.184 11.542 612 1HB SER 79 HB2 SER 79 4.817 2.506 11.513 613 2HB SER 79 HB1 SER 79 6.100 2.449 10.307 614 HG SER 79 HG SER 79 5.956 1.079 12.520 615 H ALA 80 HN ALA 80 4.525 3.578 9.937 616 HA ALA 80 HA ALA 80 3.652 6.371 9.648 617 1HB ALA 80 HB3 ALA 80 5.632 5.825 8.008 618 2HB ALA 80 HB2 ALA 80 4.398 4.929 7.119 619 3HB ALA 80 HB1 ALA 80 4.204 6.657 7.396 620 H LEU 81 HN LEU 81 2.064 4.713 10.751 621 HA LEU 81 HA LEU 81 0.128 3.462 10.662 622 1HB LEU 81 HB2 LEU 81 -0.602 4.908 8.169 623 2HB LEU 81 HB1 LEU 81 -1.483 4.744 9.682 624 HG LEU 81 HG LEU 81 0.844 6.603 9.168 625 1HD1 LEU 81 HD11 LEU 81 -2.072 7.023 9.845 626 2HD1 LEU 81 HD13 LEU 81 -0.860 8.300 9.866 627 3HD1 LEU 81 HD12 LEU 81 -1.249 7.486 8.357 628 1HD2 LEU 81 HD23 LEU 81 -0.294 5.488 11.668 629 2HD2 LEU 81 HD22 LEU 81 1.284 6.222 11.388 630 3HD2 LEU 81 HD21 LEU 81 -0.129 7.240 11.637 631 HA PRO 82 HA PRO 82 0.159 -0.049 8.116 632 1HB PRO 82 HB2 PRO 82 -2.285 0.148 6.611 633 2HB PRO 82 HB1 PRO 82 -1.946 -0.825 8.041 634 1HG PRO 82 HG2 PRO 82 -3.593 1.489 7.909 635 2HG PRO 82 HG1 PRO 82 -3.100 0.621 9.369 636 1HD PRO 82 HD2 PRO 82 -2.180 3.181 8.364 637 2HD PRO 82 HD1 PRO 82 -1.873 2.455 9.954 638 H VAL 83 HN VAL 83 0.953 -0.893 6.301 639 HA VAL 83 HA VAL 83 0.741 0.565 3.704 640 HB VAL 83 HB VAL 83 3.264 -0.444 5.043 641 1HG1 VAL 83 HG12 VAL 83 2.562 -0.223 2.128 642 2HG1 VAL 83 HG11 VAL 83 4.197 0.195 2.629 643 3HG1 VAL 83 HG13 VAL 83 3.568 -1.418 2.945 644 1HG2 VAL 83 HG21 VAL 83 2.157 2.109 4.686 645 2HG2 VAL 83 HG23 VAL 83 3.779 1.712 5.232 646 3HG2 VAL 83 HG22 VAL 83 3.481 1.986 3.519 647 H LEU 84 HN LEU 84 -0.482 -1.086 2.648 648 HA LEU 84 HA LEU 84 0.469 -3.814 3.152 649 1HB LEU 84 HB2 LEU 84 -2.006 -3.376 3.070 650 2HB LEU 84 HB1 LEU 84 -1.832 -2.915 1.391 651 HG LEU 84 HG LEU 84 -1.638 -5.091 0.669 652 1HD1 LEU 84 HD13 LEU 84 -0.440 -5.862 3.353 653 2HD1 LEU 84 HD12 LEU 84 -0.731 -6.975 2.022 654 3HD1 LEU 84 HD11 LEU 84 0.439 -5.679 1.830 655 1HD2 LEU 84 HD23 LEU 84 -3.716 -4.815 2.129 656 2HD2 LEU 84 HD22 LEU 84 -3.208 -6.472 1.798 657 3HD2 LEU 84 HD21 LEU 84 -2.845 -5.733 3.359 658 H MET 85 HN MET 85 2.313 -4.222 2.041 659 HA MET 85 HA MET 85 2.774 -2.872 -0.497 660 1HB MET 85 HB2 MET 85 4.637 -3.428 1.064 661 2HB MET 85 HB1 MET 85 4.339 -5.145 0.789 662 1HG MET 85 HG2 MET 85 5.089 -5.058 -1.425 663 2HG MET 85 HG1 MET 85 4.801 -3.324 -1.559 664 1HE MET 85 HE3 MET 85 5.922 -1.676 0.172 665 2HE MET 85 HE2 MET 85 7.674 -1.578 0.010 666 3HE MET 85 HE1 MET 85 6.664 -1.615 -1.433 667 H VAL 86 HN VAL 86 1.938 -3.559 -2.361 668 HA VAL 86 HA VAL 86 1.108 -6.410 -2.596 669 HB VAL 86 HB VAL 86 -0.747 -4.943 -2.813 670 1HG1 VAL 86 HG11 VAL 86 0.888 -3.354 -4.771 671 2HG1 VAL 86 HG13 VAL 86 -0.791 -3.043 -4.356 672 3HG1 VAL 86 HG12 VAL 86 0.467 -2.859 -3.135 673 1HG2 VAL 86 HG23 VAL 86 0.040 -6.585 -4.935 674 2HG2 VAL 86 HG22 VAL 86 -1.556 -5.974 -4.625 675 3HG2 VAL 86 HG21 VAL 86 -0.480 -5.087 -5.690 676 H THR 87 HN THR 87 1.718 -7.615 -4.422 677 HA THR 87 HA THR 87 3.424 -6.305 -6.459 678 HB THR 87 HB THR 87 5.091 -6.872 -4.800 679 HG1 THR 87 HG1 THR 87 5.157 -7.676 -7.183 680 1HG2 THR 87 HG21 THR 87 3.698 -8.508 -3.558 681 2HG2 THR 87 HG23 THR 87 3.929 -9.669 -4.865 682 3HG2 THR 87 HG22 THR 87 5.309 -9.138 -3.903 683 H ALA 88 HN ALA 88 4.342 -8.405 -7.847 684 HA ALA 88 HA ALA 88 1.996 -10.204 -8.306 685 1HB ALA 88 HB3 ALA 88 2.060 -8.386 -10.008 686 2HB ALA 88 HB2 ALA 88 3.692 -8.886 -10.449 687 3HB ALA 88 HB1 ALA 88 2.331 -9.976 -10.720 688 H GLU 89 HN GLU 89 5.461 -9.657 -8.958 689 HA GLU 89 HA GLU 89 5.947 -12.450 -9.605 690 1HB GLU 89 HB2 GLU 89 8.380 -11.733 -9.333 691 2HB GLU 89 HB1 GLU 89 7.459 -10.843 -10.546 692 1HG GLU 89 HG2 GLU 89 7.231 -8.947 -9.157 693 2HG GLU 89 HG1 GLU 89 7.646 -9.855 -7.703 694 H ALA 90 HN ALA 90 4.672 -11.736 -6.972 695 HA ALA 90 HA ALA 90 6.401 -12.033 -4.782 696 1HB ALA 90 HB1 ALA 90 3.584 -12.241 -5.275 697 2HB ALA 90 HB3 ALA 90 4.073 -13.586 -4.246 698 3HB ALA 90 HB2 ALA 90 4.404 -11.927 -3.748 699 H LYS 91 HN LYS 91 8.086 -13.499 -5.169 700 HA LYS 91 HA LYS 91 7.354 -16.322 -5.766 701 1HB LYS 91 HB2 LYS 91 9.388 -14.723 -6.727 702 2HB LYS 91 HB1 LYS 91 10.207 -15.676 -5.489 703 1HG LYS 91 HG2 LYS 91 9.247 -17.746 -6.500 704 2HG LYS 91 HG1 LYS 91 8.548 -16.762 -7.784 705 1HD LYS 91 HD2 LYS 91 11.506 -16.963 -7.138 706 2HD LYS 91 HD1 LYS 91 10.699 -17.755 -8.491 707 1HE LYS 91 HE2 LYS 91 9.880 -15.287 -9.017 708 2HE LYS 91 HE1 LYS 91 11.314 -14.853 -8.087 709 1HZ LYS 91 HZ3 LYS 91 12.346 -16.707 -9.645 710 2HZ LYS 91 HZ2 LYS 91 11.105 -16.174 -10.676 711 3HZ LYS 91 HZ1 LYS 91 12.269 -15.077 -10.106 712 H LYS 92 HN LYS 92 9.857 -14.813 -3.693 713 HA LYS 92 HA LYS 92 8.800 -15.958 -1.262 714 1HB LYS 92 HB2 LYS 92 10.909 -17.485 -0.989 715 2HB LYS 92 HB1 LYS 92 9.539 -18.085 -1.923 716 1HG LYS 92 HG2 LYS 92 10.617 -17.449 -4.008 717 2HG LYS 92 HG1 LYS 92 11.946 -16.692 -3.129 718 1HD LYS 92 HD2 LYS 92 11.592 -19.401 -2.205 719 2HD LYS 92 HD1 LYS 92 11.761 -19.389 -3.961 720 1HE LYS 92 HE2 LYS 92 13.817 -18.055 -3.771 721 2HE LYS 92 HE1 LYS 92 13.644 -18.018 -2.017 722 1HZ LYS 92 HZ2 LYS 92 13.736 -20.577 -3.486 723 2HZ LYS 92 HZ1 LYS 92 15.166 -19.775 -3.038 724 3HZ LYS 92 HZ3 LYS 92 14.068 -20.278 -1.846 725 H GLU 93 HN GLU 93 11.771 -14.910 -2.932 726 HA GLU 93 HA GLU 93 12.905 -13.839 -0.493 727 1HB GLU 93 HB2 GLU 93 14.529 -12.780 -2.247 728 2HB GLU 93 HB1 GLU 93 14.559 -14.526 -2.000 729 1HG GLU 93 HG2 GLU 93 13.271 -14.931 -3.961 730 2HG GLU 93 HG1 GLU 93 12.808 -13.235 -4.098 731 H ASN 94 HN ASN 94 10.879 -12.669 -3.066 732 HA ASN 94 HA ASN 94 11.376 -9.845 -2.384 733 1HB ASN 94 HB2 ASN 94 10.635 -11.066 -4.709 734 2HB ASN 94 HB1 ASN 94 9.073 -10.510 -4.108 735 1HD2 ASN 94 HD22 ASN 94 9.737 -7.276 -5.303 736 2HD2 ASN 94 HD21 ASN 94 8.626 -8.543 -5.110 737 H ILE 95 HN ILE 95 9.018 -12.355 -1.693 738 HA ILE 95 HA ILE 95 6.983 -10.543 -0.688 739 HB ILE 95 HB ILE 95 7.471 -13.508 -0.462 740 1HG1 ILE 95 HG12 ILE 95 5.044 -11.949 -1.392 741 2HG1 ILE 95 HG11 ILE 95 6.367 -12.396 -2.470 742 1HG2 ILE 95 HG21 ILE 95 5.645 -11.783 1.199 743 2HG2 ILE 95 HG23 ILE 95 5.164 -13.426 0.782 744 3HG2 ILE 95 HG22 ILE 95 6.641 -13.149 1.702 745 1HD1 ILE 95 HD12 ILE 95 5.383 -14.629 -0.833 746 2HD1 ILE 95 HD11 ILE 95 4.173 -13.977 -1.936 747 3HD1 ILE 95 HD13 ILE 95 5.711 -14.567 -2.564 748 H ILE 96 HN ILE 96 9.218 -12.783 0.990 749 HA ILE 96 HA ILE 96 8.715 -11.756 3.595 750 HB ILE 96 HB ILE 96 11.125 -13.154 2.407 751 1HG1 ILE 96 HG12 ILE 96 9.257 -14.226 4.507 752 2HG1 ILE 96 HG11 ILE 96 8.762 -14.243 2.813 753 1HG2 ILE 96 HG22 ILE 96 10.602 -12.156 5.206 754 2HG2 ILE 96 HG21 ILE 96 11.653 -13.542 4.911 755 3HG2 ILE 96 HG23 ILE 96 12.057 -11.968 4.227 756 1HD1 ILE 96 HD11 ILE 96 11.394 -15.382 3.787 757 2HD1 ILE 96 HD13 ILE 96 9.934 -16.351 3.586 758 3HD1 ILE 96 HD12 ILE 96 10.674 -15.569 2.189 759 H ALA 97 HN ALA 97 10.792 -10.633 1.000 760 HA ALA 97 HA ALA 97 12.583 -8.987 2.369 761 1HB ALA 97 HB1 ALA 97 11.241 -8.804 -0.292 762 2HB ALA 97 HB3 ALA 97 12.132 -7.398 0.287 763 3HB ALA 97 HB2 ALA 97 12.956 -8.944 0.088 764 H ALA 98 HN ALA 98 9.181 -8.314 1.583 765 HA ALA 98 HA ALA 98 9.314 -5.637 2.760 766 1HB ALA 98 HB3 ALA 98 7.051 -7.350 1.739 767 2HB ALA 98 HB2 ALA 98 6.757 -5.822 2.566 768 3HB ALA 98 HB1 ALA 98 7.675 -5.846 1.063 769 H ALA 99 HN ALA 99 7.368 -8.509 3.593 770 HA ALA 99 HA ALA 99 6.502 -7.592 6.074 771 1HB ALA 99 HB1 ALA 99 6.449 -10.039 4.651 772 2HB ALA 99 HB3 ALA 99 7.083 -10.415 6.252 773 3HB ALA 99 HB2 ALA 99 5.519 -9.617 6.090 774 H GLN 100 HN GLN 100 9.669 -8.906 5.190 775 HA GLN 100 HA GLN 100 10.618 -9.536 7.805 776 1HB GLN 100 HB2 GLN 100 11.930 -9.966 5.695 777 2HB GLN 100 HB1 GLN 100 12.224 -8.231 5.572 778 1HG GLN 100 HG2 GLN 100 14.118 -8.792 6.744 779 2HG GLN 100 HG1 GLN 100 13.030 -8.640 8.122 780 1HE2 GLN 100 HE22 GLN 100 12.734 -12.210 8.573 781 2HE2 GLN 100 HE21 GLN 100 11.853 -10.767 8.737 782 H ALA 101 HN ALA 101 10.168 -6.592 6.011 783 HA ALA 101 HA ALA 101 11.260 -4.851 8.104 784 1HB ALA 101 HB2 ALA 101 11.119 -4.299 5.585 785 2HB ALA 101 HB1 ALA 101 9.392 -4.066 5.845 786 3HB ALA 101 HB3 ALA 101 10.556 -3.043 6.687 787 H GLY 102 HN GLY 102 8.386 -6.428 7.159 788 1HA GLY 102 HA2 GLY 102 6.400 -6.858 8.246 789 2HA GLY 102 HA1 GLY 102 7.156 -6.207 9.680 790 H ALA 103 HN ALA 103 5.536 -5.091 6.644 791 HA ALA 103 HA ALA 103 4.798 -2.628 8.138 792 1HB ALA 103 HB1 ALA 103 5.040 -3.437 5.378 793 2HB ALA 103 HB3 ALA 103 3.522 -2.642 5.649 794 3HB ALA 103 HB2 ALA 103 4.976 -1.822 6.054 795 H SER 104 HN SER 104 2.435 -3.502 5.973 796 HA SER 104 HA SER 104 0.554 -4.201 8.160 797 1HB SER 104 HB2 SER 104 -1.088 -3.295 6.890 798 2HB SER 104 HB1 SER 104 0.228 -2.586 5.965 799 HG SER 104 HG SER 104 0.160 -4.702 4.797 800 H GLY 105 HN GLY 105 1.646 -5.351 5.035 801 1HA GLY 105 HA2 GLY 105 1.915 -8.062 5.585 802 2HA GLY 105 HA1 GLY 105 0.226 -7.869 5.157 803 OH TYR 106 OH TYR 106 1.975 -12.898 -3.241 804 H TYR 106 HN TYR 106 0.728 -9.212 3.260 805 HA TYR 106 HA TYR 106 1.696 -7.524 1.030 806 1HB TYR 106 HB2 TYR 106 3.630 -8.695 0.925 807 2HB TYR 106 HB1 TYR 106 3.028 -9.932 2.029 808 HD1 TYR 106 HD1 TYR 106 2.557 -8.723 -1.518 809 HD2 TYR 106 HD2 TYR 106 2.536 -12.064 1.190 810 HE1 TYR 106 HE1 TYR 106 2.205 -10.277 -3.410 811 HE2 TYR 106 HE2 TYR 106 2.182 -13.605 -0.710 812 HH TYR 106 HH TYR 106 2.345 -13.751 -3.002 813 H VAL 107 HN VAL 107 0.487 -7.781 -0.802 814 HA VAL 107 HA VAL 107 -1.293 -10.180 -0.978 815 HB VAL 107 HB VAL 107 -2.732 -8.384 -0.149 816 1HG1 VAL 107 HG12 VAL 107 -1.077 -6.618 -1.250 817 2HG1 VAL 107 HG11 VAL 107 -2.201 -6.753 -2.597 818 3HG1 VAL 107 HG13 VAL 107 -2.781 -6.227 -1.024 819 1HG2 VAL 107 HG22 VAL 107 -3.146 -9.860 -2.472 820 2HG2 VAL 107 HG21 VAL 107 -4.384 -8.963 -1.604 821 3HG2 VAL 107 HG23 VAL 107 -3.548 -8.214 -2.964 822 H VAL 108 HN VAL 108 -1.327 -11.049 -2.998 823 HA VAL 108 HA VAL 108 0.515 -10.097 -4.979 824 HB VAL 108 HB VAL 108 -1.616 -11.752 -6.088 825 1HG1 VAL 108 HG13 VAL 108 0.749 -11.571 -6.886 826 2HG1 VAL 108 HG12 VAL 108 1.265 -12.396 -5.419 827 3HG1 VAL 108 HG11 VAL 108 0.245 -13.232 -6.585 828 1HG2 VAL 108 HG21 VAL 108 -0.352 -12.615 -3.470 829 2HG2 VAL 108 HG23 VAL 108 -2.072 -12.447 -3.818 830 3HG2 VAL 108 HG22 VAL 108 -1.138 -13.727 -4.588 831 H LYS 109 HN LYS 109 -1.016 -10.258 -7.365 832 HA LYS 109 HA LYS 109 -3.267 -8.431 -7.249 833 1HB LYS 109 HB2 LYS 109 -2.300 -6.455 -8.114 834 2HB LYS 109 HB1 LYS 109 -1.150 -6.999 -6.913 835 1HG LYS 109 HG2 LYS 109 0.356 -6.681 -8.582 836 2HG LYS 109 HG1 LYS 109 -0.166 -8.274 -9.109 837 1HD LYS 109 HD2 LYS 109 -1.971 -7.073 -10.480 838 2HD LYS 109 HD1 LYS 109 -1.113 -5.580 -10.113 839 1HE LYS 109 HE2 LYS 109 -0.324 -6.382 -12.254 840 2HE LYS 109 HE1 LYS 109 0.966 -6.617 -11.076 841 1HZ LYS 109 HZ3 LYS 109 -0.409 -8.913 -10.867 842 2HZ LYS 109 HZ2 LYS 109 -0.592 -8.570 -12.521 843 3HZ LYS 109 HZ1 LYS 109 0.961 -8.702 -11.845 844 HA PRO 110 HA PRO 110 -4.340 -7.090 -8.916 845 1HB PRO 110 HB2 PRO 110 -6.616 -8.074 -10.352 846 2HB PRO 110 HB1 PRO 110 -5.608 -6.679 -10.759 847 1HG PRO 110 HG2 PRO 110 -5.756 -9.138 -12.184 848 2HG PRO 110 HG1 PRO 110 -4.610 -7.820 -12.463 849 1HD PRO 110 HD2 PRO 110 -4.150 -10.422 -11.175 850 2HD PRO 110 HD1 PRO 110 -2.965 -9.242 -11.770 851 H PHE 111 HN PHE 111 -5.664 -7.149 -7.083 852 HA PHE 111 HA PHE 111 -6.648 -9.819 -6.207 853 1HB PHE 111 HB2 PHE 111 -7.174 -8.390 -4.074 854 2HB PHE 111 HB1 PHE 111 -5.507 -8.836 -4.411 855 HD1 PHE 111 HD1 PHE 111 -8.014 -6.097 -4.573 856 HD2 PHE 111 HD2 PHE 111 -3.905 -7.203 -5.052 857 HE1 PHE 111 HE1 PHE 111 -7.365 -3.723 -4.777 858 HE2 PHE 111 HE2 PHE 111 -3.274 -4.824 -5.262 859 HZ PHE 111 HZ PHE 111 -5.008 -3.078 -5.121 860 H THR 112 HN THR 112 -8.812 -9.933 -5.284 861 HA THR 112 HA THR 112 -10.730 -8.255 -6.809 862 HB THR 112 HB THR 112 -11.738 -10.338 -4.952 863 HG1 THR 112 HG1 THR 112 -9.666 -11.050 -6.058 864 1HG2 THR 112 HG23 THR 112 -13.131 -9.084 -6.601 865 2HG2 THR 112 HG22 THR 112 -12.198 -9.827 -7.901 866 3HG2 THR 112 HG21 THR 112 -13.188 -10.831 -6.842 867 H ALA 113 HN ALA 113 -12.268 -6.931 -5.651 868 HA ALA 113 HA ALA 113 -11.350 -5.642 -3.344 869 1HB ALA 113 HB1 ALA 113 -13.463 -5.180 -4.907 870 2HB ALA 113 HB3 ALA 113 -14.312 -6.052 -3.631 871 3HB ALA 113 HB2 ALA 113 -13.425 -4.577 -3.250 872 H ALA 114 HN ALA 114 -13.211 -8.622 -3.626 873 HA ALA 114 HA ALA 114 -13.772 -8.894 -0.826 874 1HB ALA 114 HB1 ALA 114 -13.528 -10.884 -3.091 875 2HB ALA 114 HB3 ALA 114 -13.866 -11.399 -1.437 876 3HB ALA 114 HB2 ALA 114 -14.994 -10.335 -2.278 877 H THR 115 HN THR 115 -11.010 -9.701 -2.862 878 HA THR 115 HA THR 115 -9.594 -11.144 -0.795 879 HB THR 115 HB THR 115 -8.765 -9.900 -3.413 880 HG1 THR 115 HG1 THR 115 -8.984 -11.875 -4.052 881 1HG2 THR 115 HG22 THR 115 -7.026 -11.074 -1.242 882 2HG2 THR 115 HG21 THR 115 -6.525 -11.053 -2.933 883 3HG2 THR 115 HG23 THR 115 -6.820 -9.538 -2.082 884 H LEU 116 HN LEU 116 -8.653 -7.921 -2.242 885 HA LEU 116 HA LEU 116 -7.068 -7.183 -0.027 886 1HB LEU 116 HB2 LEU 116 -8.266 -5.855 -2.305 887 2HB LEU 116 HB1 LEU 116 -8.350 -4.819 -0.892 888 HG LEU 116 HG LEU 116 -6.261 -4.575 -2.333 889 1HD1 LEU 116 HD12 LEU 116 -6.447 -4.895 0.564 890 2HD1 LEU 116 HD11 LEU 116 -4.809 -4.964 -0.090 891 3HD1 LEU 116 HD13 LEU 116 -5.823 -3.555 -0.399 892 1HD2 LEU 116 HD22 LEU 116 -6.088 -7.283 -2.269 893 2HD2 LEU 116 HD21 LEU 116 -4.702 -6.223 -2.517 894 3HD2 LEU 116 HD23 LEU 116 -5.030 -6.862 -0.919 895 H GLU 117 HN GLU 117 -10.601 -7.182 -0.256 896 HA GLU 117 HA GLU 117 -11.059 -5.454 1.958 897 1HB GLU 117 HB2 GLU 117 -12.969 -6.022 0.654 898 2HB GLU 117 HB1 GLU 117 -12.655 -7.749 0.834 899 1HG GLU 117 HG2 GLU 117 -13.368 -7.781 3.066 900 2HG GLU 117 HG1 GLU 117 -13.143 -6.043 3.260 901 H GLU 118 HN GLU 118 -11.185 -9.016 1.922 902 HA GLU 118 HA GLU 118 -11.278 -9.501 4.656 903 1HB GLU 118 HB2 GLU 118 -10.103 -10.966 2.339 904 2HB GLU 118 HB1 GLU 118 -9.642 -11.509 3.952 905 1HG GLU 118 HG2 GLU 118 -11.959 -11.828 4.578 906 2HG GLU 118 HG1 GLU 118 -12.511 -11.098 3.070 907 H LYS 119 HN LYS 119 -8.362 -8.864 2.705 908 HA LYS 119 HA LYS 119 -6.482 -9.145 4.835 909 1HB LYS 119 HB2 LYS 119 -6.498 -8.068 2.106 910 2HB LYS 119 HB1 LYS 119 -5.409 -7.193 3.181 911 1HG LYS 119 HG2 LYS 119 -4.242 -9.081 2.113 912 2HG LYS 119 HG1 LYS 119 -4.358 -9.322 3.857 913 1HD LYS 119 HD2 LYS 119 -5.721 -11.129 3.640 914 2HD LYS 119 HD1 LYS 119 -6.643 -10.393 2.328 915 1HE LYS 119 HE2 LYS 119 -5.055 -11.044 0.693 916 2HE LYS 119 HE1 LYS 119 -3.821 -11.380 1.907 917 1HZ LYS 119 HZ1 LYS 119 -6.303 -12.878 2.138 918 2HZ LYS 119 HZ3 LYS 119 -5.323 -13.264 0.809 919 3HZ LYS 119 HZ2 LYS 119 -4.700 -13.383 2.385 920 H LEU 120 HN LEU 120 -8.564 -6.483 3.854 921 HA LEU 120 HA LEU 120 -7.243 -4.572 5.627 922 1HB LEU 120 HB2 LEU 120 -8.539 -4.067 3.439 923 2HB LEU 120 HB1 LEU 120 -9.996 -4.267 4.405 924 HG LEU 120 HG LEU 120 -8.001 -2.473 5.639 925 1HD1 LEU 120 HD13 LEU 120 -9.187 -1.899 2.923 926 2HD1 LEU 120 HD12 LEU 120 -8.793 -0.598 4.043 927 3HD1 LEU 120 HD11 LEU 120 -7.523 -1.677 3.465 928 1HD2 LEU 120 HD22 LEU 120 -10.361 -2.837 6.404 929 2HD2 LEU 120 HD21 LEU 120 -9.988 -1.147 6.067 930 3HD2 LEU 120 HD23 LEU 120 -10.915 -2.095 4.904 931 H ASN 121 HN ASN 121 -10.460 -6.136 5.573 932 HA ASN 121 HA ASN 121 -11.274 -5.212 8.142 933 1HB ASN 121 HB2 ASN 121 -12.440 -6.691 6.133 934 2HB ASN 121 HB1 ASN 121 -12.240 -7.893 7.410 935 1HD2 ASN 121 HD22 ASN 121 -14.494 -6.234 9.666 936 2HD2 ASN 121 HD21 ASN 121 -13.135 -7.249 9.617 937 H LYS 122 HN LYS 122 -9.352 -8.000 7.151 938 HA LYS 122 HA LYS 122 -9.376 -9.284 9.740 939 1HB LYS 122 HB2 LYS 122 -8.809 -10.561 7.731 940 2HB LYS 122 HB1 LYS 122 -7.418 -9.516 7.436 941 1HG LYS 122 HG2 LYS 122 -6.139 -10.615 8.945 942 2HG LYS 122 HG1 LYS 122 -7.429 -10.624 10.147 943 1HD LYS 122 HD2 LYS 122 -6.876 -12.921 9.510 944 2HD LYS 122 HD1 LYS 122 -8.499 -12.525 8.948 945 1HE LYS 122 HE2 LYS 122 -6.648 -11.748 6.913 946 2HE LYS 122 HE1 LYS 122 -6.260 -13.398 7.401 947 1HZ LYS 122 HZ1 LYS 122 -9.041 -12.560 6.855 948 2HZ LYS 122 HZ3 LYS 122 -8.016 -13.087 5.610 949 3HZ LYS 122 HZ2 LYS 122 -8.395 -14.131 6.896 950 H ILE 123 HN ILE 123 -7.103 -7.090 8.108 951 HA ILE 123 HA ILE 123 -5.227 -7.042 10.315 952 HB ILE 123 HB ILE 123 -5.684 -5.336 7.877 953 1HG1 ILE 123 HG12 ILE 123 -3.210 -6.810 8.816 954 2HG1 ILE 123 HG11 ILE 123 -4.468 -7.590 7.856 955 1HG2 ILE 123 HG22 ILE 123 -3.992 -4.745 10.295 956 2HG2 ILE 123 HG21 ILE 123 -3.463 -4.214 8.698 957 3HG2 ILE 123 HG23 ILE 123 -5.000 -3.647 9.352 958 1HD1 ILE 123 HD13 ILE 123 -4.182 -5.852 6.105 959 2HD1 ILE 123 HD12 ILE 123 -2.879 -5.134 7.054 960 3HD1 ILE 123 HD11 ILE 123 -2.693 -6.755 6.384 961 H PHE 124 HN PHE 124 -7.989 -5.075 9.345 962 HA PHE 124 HA PHE 124 -7.558 -3.054 11.363 963 1HB PHE 124 HB2 PHE 124 -9.750 -3.725 9.439 964 2HB PHE 124 HB1 PHE 124 -10.096 -2.627 10.776 965 HD1 PHE 124 HD2 PHE 124 -7.149 -3.214 8.518 966 HD2 PHE 124 HD1 PHE 124 -9.934 -0.381 10.150 967 HE1 PHE 124 HE2 PHE 124 -5.974 -1.385 7.344 968 HE2 PHE 124 HE1 PHE 124 -8.751 1.452 8.972 969 HZ PHE 124 HZ PHE 124 -6.777 0.939 7.565 970 H GLU 125 HN GLU 125 -9.282 -6.119 11.269 971 HA GLU 125 HA GLU 125 -10.991 -5.808 13.484 972 1HB GLU 125 HB2 GLU 125 -10.675 -7.882 11.983 973 2HB GLU 125 HB1 GLU 125 -9.329 -8.299 13.044 974 1HG GLU 125 HG2 GLU 125 -10.810 -8.314 14.984 975 2HG GLU 125 HG1 GLU 125 -12.164 -7.785 13.986 976 H LYS 126 HN LYS 126 -7.516 -6.126 13.314 977 HA LYS 126 HA LYS 126 -7.245 -6.402 16.236 978 1HB LYS 126 HB2 LYS 126 -5.402 -6.428 13.883 979 2HB LYS 126 HB1 LYS 126 -4.729 -5.924 15.434 980 1HG LYS 126 HG2 LYS 126 -4.505 -8.375 15.072 981 2HG LYS 126 HG1 LYS 126 -5.505 -8.000 16.477 982 1HD LYS 126 HD2 LYS 126 -7.437 -8.738 15.475 983 2HD LYS 126 HD1 LYS 126 -6.904 -8.264 13.861 984 1HE LYS 126 HE2 LYS 126 -7.023 -10.771 14.268 985 2HE LYS 126 HE1 LYS 126 -5.472 -10.177 13.675 986 1HZ LYS 126 HZ1 LYS 126 -4.886 -9.991 16.145 987 2HZ LYS 126 HZ3 LYS 126 -6.202 -11.029 16.403 988 3HZ LYS 126 HZ2 LYS 126 -4.898 -11.537 15.440 989 H LEU 127 HN LEU 127 -7.075 -3.947 13.734 990 HA LEU 127 HA LEU 127 -5.961 -1.916 15.524 991 1HB LEU 127 HB2 LEU 127 -5.998 -2.125 12.813 992 2HB LEU 127 HB1 LEU 127 -7.400 -1.083 13.053 993 HG LEU 127 HG LEU 127 -5.915 0.348 14.561 994 1HD1 LEU 127 HD11 LEU 127 -4.114 -1.786 14.112 995 2HD1 LEU 127 HD13 LEU 127 -3.469 -0.411 13.218 996 3HD1 LEU 127 HD12 LEU 127 -3.784 -0.269 14.946 997 1HD2 LEU 127 HD21 LEU 127 -6.541 0.925 12.207 998 2HD2 LEU 127 HD23 LEU 127 -4.955 1.543 12.663 999 3HD2 LEU 127 HD22 LEU 127 -5.084 0.103 11.653 1000 H GLY 128 HN GLY 128 -8.997 -3.335 15.082 1001 1HA GLY 128 HA2 GLY 128 -11.172 -2.690 15.714 1002 2HA GLY 128 HA1 GLY 128 -10.339 -1.915 17.062 1003 H MET 129 HN MET 129 -10.125 -1.107 13.611 1004 HA MET 129 HA MET 129 -10.774 1.697 14.295 1005 1HB MET 129 HB2 MET 129 -9.232 0.338 12.251 1006 2HB MET 129 HB1 MET 129 -10.377 1.463 11.521 1007 1HG MET 129 HG2 MET 129 -8.216 2.557 12.046 1008 2HG MET 129 HG1 MET 129 -9.551 3.270 12.951 1009 1HE MET 129 HE1 MET 129 -7.656 4.299 13.877 1010 2HE MET 129 HE3 MET 129 -7.360 3.931 15.581 1011 3HE MET 129 HE2 MET 129 -6.191 3.446 14.354 Start of MODEL 31 Raw file had 1011 H/Q atoms Start of MODEL 31 1 H ALA 2 HN ALA 2 -15.226 -0.091 8.611 2 HA ALA 2 HA ALA 2 -13.047 0.789 10.372 3 1HB ALA 2 HB3 ALA 2 -12.093 -0.987 8.775 4 2HB ALA 2 HB2 ALA 2 -12.374 0.185 7.488 5 3HB ALA 2 HB1 ALA 2 -11.267 0.572 8.806 6 H ASP 3 HN ASP 3 -12.486 2.976 9.977 7 HA ASP 3 HA ASP 3 -14.419 4.752 9.071 8 1HB ASP 3 HB2 ASP 3 -11.590 4.877 9.708 9 2HB ASP 3 HB1 ASP 3 -11.965 5.949 8.358 10 H LYS 4 HN LYS 4 -15.419 4.379 7.069 11 HA LYS 4 HA LYS 4 -13.968 3.543 4.724 12 1HB LYS 4 HB2 LYS 4 -16.179 4.499 3.600 13 2HB LYS 4 HB1 LYS 4 -16.197 2.996 4.512 14 1HG LYS 4 HG2 LYS 4 -17.127 4.037 6.428 15 2HG LYS 4 HG1 LYS 4 -16.734 5.653 5.839 16 1HD LYS 4 HD2 LYS 4 -18.521 3.941 4.159 17 2HD LYS 4 HD1 LYS 4 -19.201 4.678 5.610 18 1HE LYS 4 HE2 LYS 4 -18.897 6.843 4.818 19 2HE LYS 4 HE1 LYS 4 -17.574 6.377 3.750 20 1HZ LYS 4 HZ1 LYS 4 -19.220 5.147 2.404 21 2HZ LYS 4 HZ3 LYS 4 -20.457 5.778 3.378 22 3HZ LYS 4 HZ2 LYS 4 -19.501 6.822 2.438 23 H GLU 5 HN GLU 5 -13.040 6.024 6.113 24 HA GLU 5 HA GLU 5 -12.917 7.755 3.695 25 1HB GLU 5 HB2 GLU 5 -13.256 8.717 6.558 26 2HB GLU 5 HB1 GLU 5 -13.036 9.749 5.146 27 1HG GLU 5 HG2 GLU 5 -15.123 8.595 4.185 28 2HG GLU 5 HG1 GLU 5 -15.395 7.986 5.819 29 H LEU 6 HN LEU 6 -11.116 5.705 4.680 30 HA LEU 6 HA LEU 6 -8.977 7.125 6.052 31 1HB LEU 6 HB2 LEU 6 -9.534 4.744 6.483 32 2HB LEU 6 HB1 LEU 6 -9.048 4.346 4.850 33 HG LEU 6 HG LEU 6 -6.743 5.042 5.323 34 1HD1 LEU 6 HD11 LEU 6 -8.019 5.985 7.866 35 2HD1 LEU 6 HD13 LEU 6 -6.345 5.433 7.905 36 3HD1 LEU 6 HD12 LEU 6 -6.803 6.781 6.866 37 1HD2 LEU 6 HD22 LEU 6 -8.123 3.087 7.126 38 2HD2 LEU 6 HD21 LEU 6 -6.955 2.795 5.840 39 3HD2 LEU 6 HD23 LEU 6 -6.419 3.441 7.391 40 H LYS 7 HN LYS 7 -7.159 8.004 5.041 41 HA LYS 7 HA LYS 7 -7.359 8.337 2.145 42 1HB LYS 7 HB2 LYS 7 -5.598 9.467 4.301 43 2HB LYS 7 HB1 LYS 7 -5.189 9.694 2.603 44 1HG LYS 7 HG2 LYS 7 -7.362 10.722 2.174 45 2HG LYS 7 HG1 LYS 7 -7.855 10.425 3.841 46 1HD LYS 7 HD2 LYS 7 -5.299 11.890 3.491 47 2HD LYS 7 HD1 LYS 7 -6.758 12.763 3.019 48 1HE LYS 7 HE2 LYS 7 -7.733 12.478 5.196 49 2HE LYS 7 HE1 LYS 7 -6.472 11.343 5.677 50 1HZ LYS 7 HZ2 LYS 7 -4.942 13.360 5.080 51 2HZ LYS 7 HZ1 LYS 7 -6.348 14.256 5.405 52 3HZ LYS 7 HZ3 LYS 7 -5.688 13.254 6.603 53 H PHE 8 HN PHE 8 -6.251 7.247 0.631 54 HA PHE 8 HA PHE 8 -4.050 5.434 1.495 55 1HB PHE 8 HB2 PHE 8 -5.948 5.277 -0.865 56 2HB PHE 8 HB1 PHE 8 -4.610 4.180 -0.591 57 HD1 PHE 8 HD1 PHE 8 -7.605 5.561 1.124 58 HD2 PHE 8 HD2 PHE 8 -4.990 2.204 0.623 59 HE1 PHE 8 HE1 PHE 8 -9.034 4.219 2.609 60 HE2 PHE 8 HE2 PHE 8 -6.434 0.854 2.136 61 HZ PHE 8 HZ PHE 8 -8.462 1.872 3.130 62 H LEU 9 HN LEU 9 -2.273 5.212 -0.012 63 HA LEU 9 HA LEU 9 -2.101 7.388 -2.042 64 1HB LEU 9 HB2 LEU 9 -0.707 8.381 -0.518 65 2HB LEU 9 HB1 LEU 9 -0.285 6.866 0.260 66 HG LEU 9 HG LEU 9 1.298 6.313 -1.460 67 1HD1 LEU 9 HD12 LEU 9 -0.304 7.921 -3.173 68 2HD1 LEU 9 HD11 LEU 9 1.278 8.668 -3.098 69 3HD1 LEU 9 HD13 LEU 9 1.114 6.992 -3.592 70 1HD2 LEU 9 HD23 LEU 9 1.446 8.731 0.026 71 2HD2 LEU 9 HD22 LEU 9 2.764 7.710 -0.527 72 3HD2 LEU 9 HD21 LEU 9 2.182 9.026 -1.539 73 H VAL 10 HN VAL 10 -2.094 6.217 -3.903 74 HA VAL 10 HA VAL 10 -0.816 3.554 -3.924 75 HB VAL 10 HB VAL 10 -1.772 3.650 -6.359 76 1HG1 VAL 10 HG12 VAL 10 -3.217 3.396 -3.750 77 2HG1 VAL 10 HG11 VAL 10 -4.158 3.338 -5.240 78 3HG1 VAL 10 HG13 VAL 10 -2.875 2.161 -4.962 79 1HG2 VAL 10 HG23 VAL 10 -2.169 6.127 -6.246 80 2HG2 VAL 10 HG22 VAL 10 -3.614 5.205 -6.648 81 3HG2 VAL 10 HG21 VAL 10 -3.396 5.830 -5.015 82 H VAL 11 HN VAL 11 1.364 3.563 -4.296 83 HA VAL 11 HA VAL 11 2.524 5.626 -6.018 84 HB VAL 11 HB VAL 11 3.867 3.376 -4.500 85 1HG1 VAL 11 HG12 VAL 11 4.803 5.234 -6.518 86 2HG1 VAL 11 HG11 VAL 11 5.640 5.506 -4.990 87 3HG1 VAL 11 HG13 VAL 11 5.671 3.911 -5.741 88 1HG2 VAL 11 HG23 VAL 11 2.648 5.272 -3.218 89 2HG2 VAL 11 HG22 VAL 11 4.325 4.934 -2.793 90 3HG2 VAL 11 HG21 VAL 11 3.936 6.307 -3.824 91 H ASP 12 HN ASP 12 1.802 5.036 -8.108 92 HA ASP 12 HA ASP 12 3.185 2.665 -9.237 93 1HB ASP 12 HB2 ASP 12 1.019 1.740 -8.778 94 2HB ASP 12 HB1 ASP 12 0.206 3.179 -9.393 95 H ASP 13 HN ASP 13 3.540 2.854 -11.520 96 HA ASP 13 HA ASP 13 3.339 5.657 -12.503 97 1HB ASP 13 HB2 ASP 13 5.162 5.178 -13.915 98 2HB ASP 13 HB1 ASP 13 5.542 4.283 -12.445 99 H PHE 14 HN PHE 14 2.394 2.345 -13.281 100 HA PHE 14 HA PHE 14 1.545 2.568 -15.919 101 1HB PHE 14 HB2 PHE 14 1.022 0.817 -13.741 102 2HB PHE 14 HB1 PHE 14 -0.537 1.247 -14.444 103 HD1 PHE 14 HD2 PHE 14 -0.586 1.271 -17.105 104 HD2 PHE 14 HD1 PHE 14 2.224 -0.936 -14.717 105 HE1 PHE 14 HE2 PHE 14 -0.153 -0.249 -19.016 106 HE2 PHE 14 HE1 PHE 14 2.655 -2.454 -16.630 107 HZ PHE 14 HZ PHE 14 1.467 -2.111 -18.779 108 H SER 15 HN SER 15 -0.013 3.726 -16.970 109 HA SER 15 HA SER 15 -1.601 5.645 -15.399 110 1HB SER 15 HB2 SER 15 -2.353 6.360 -17.743 111 2HB SER 15 HB1 SER 15 -0.642 6.562 -17.380 112 HG SER 15 HG SER 15 -0.914 5.540 -19.381 113 H THR 16 HN THR 16 -2.167 2.686 -15.351 114 HA THR 16 HA THR 16 -5.072 2.925 -15.879 115 HB THR 16 HB THR 16 -3.764 1.830 -17.864 116 HG1 THR 16 HG1 THR 16 -5.851 1.533 -18.052 117 1HG2 THR 16 HG21 THR 16 -2.538 0.345 -16.106 118 2HG2 THR 16 HG23 THR 16 -4.013 -0.621 -16.139 119 3HG2 THR 16 HG22 THR 16 -3.073 -0.397 -17.614 120 H MET 17 HN MET 17 -2.366 1.467 -14.257 121 HA MET 17 HA MET 17 -3.782 -0.580 -12.826 122 1HB MET 17 HB2 MET 17 -1.387 -0.686 -12.856 123 2HB MET 17 HB1 MET 17 -1.243 0.955 -12.225 124 1HG MET 17 HG2 MET 17 -2.000 0.317 -10.074 125 2HG MET 17 HG1 MET 17 -2.649 -1.212 -10.666 126 1HE MET 17 HE1 MET 17 -1.157 -1.252 -8.182 127 2HE MET 17 HE3 MET 17 -1.479 -2.799 -8.976 128 3HE MET 17 HE2 MET 17 0.125 -2.449 -8.338 129 NH1 ARG 18 NH2 ARG 18 -4.172 6.425 -14.006 130 NH2 ARG 18 NH1 ARG 18 -5.410 8.243 -14.529 131 H ARG 18 HN ARG 18 -2.949 2.785 -11.975 132 HA ARG 18 HA ARG 18 -4.074 2.833 -9.384 133 1HB ARG 18 HB2 ARG 18 -3.555 5.033 -9.486 134 2HB ARG 18 HB1 ARG 18 -2.915 4.674 -11.079 135 1HG ARG 18 HG2 ARG 18 -5.173 5.201 -12.052 136 2HG ARG 18 HG1 ARG 18 -5.689 5.720 -10.441 137 1HD ARG 18 HD2 ARG 18 -4.209 7.544 -10.424 138 2HD ARG 18 HD1 ARG 18 -3.209 6.871 -11.710 139 HE ARG 18 HE ARG 18 -5.673 8.400 -12.077 140 1HH1 ARG 18 HH21 ARG 18 -3.758 5.828 -13.319 141 2HH1 ARG 18 HH22 ARG 18 -4.053 6.227 -14.979 142 1HH2 ARG 18 HH11 ARG 18 -5.943 9.039 -14.244 143 2HH2 ARG 18 HH12 ARG 18 -5.289 8.044 -15.503 144 NH1 ARG 19 NH2 ARG 19 -9.918 6.644 -14.058 145 NH2 ARG 19 NH1 ARG 19 -10.611 4.813 -15.185 146 H ARG 19 HN ARG 19 -5.586 2.996 -12.536 147 HA ARG 19 HA ARG 19 -8.086 3.952 -11.568 148 1HB ARG 19 HB2 ARG 19 -7.506 2.341 -14.069 149 2HB ARG 19 HB1 ARG 19 -8.984 3.252 -13.759 150 1HG ARG 19 HG2 ARG 19 -7.589 5.326 -13.530 151 2HG ARG 19 HG1 ARG 19 -6.182 4.380 -14.019 152 1HD ARG 19 HD2 ARG 19 -6.747 4.918 -16.143 153 2HD ARG 19 HD1 ARG 19 -8.059 3.753 -15.960 154 HE ARG 19 HE ARG 19 -8.462 6.515 -16.308 155 1HH1 ARG 19 HH21 ARG 19 -9.235 7.357 -13.899 156 2HH1 ARG 19 HH22 ARG 19 -10.755 6.624 -13.510 157 1HH2 ARG 19 HH11 ARG 19 -10.459 4.121 -15.892 158 2HH2 ARG 19 HH12 ARG 19 -11.448 4.792 -14.638 159 H ILE 20 HN ILE 20 -6.632 0.798 -11.642 160 HA ILE 20 HA ILE 20 -9.093 -0.714 -11.403 161 HB ILE 20 HB ILE 20 -6.172 -1.299 -11.045 162 1HG1 ILE 20 HG12 ILE 20 -8.192 -2.934 -12.554 163 2HG1 ILE 20 HG11 ILE 20 -7.660 -1.390 -13.221 164 1HG2 ILE 20 HG21 ILE 20 -8.483 -2.927 -9.988 165 2HG2 ILE 20 HG23 ILE 20 -6.987 -3.704 -10.506 166 3HG2 ILE 20 HG22 ILE 20 -6.959 -2.530 -9.191 167 1HD1 ILE 20 HD12 ILE 20 -5.588 -3.310 -12.222 168 2HD1 ILE 20 HD11 ILE 20 -6.344 -3.619 -13.786 169 3HD1 ILE 20 HD13 ILE 20 -5.472 -2.110 -13.510 170 H VAL 21 HN VAL 21 -6.632 0.360 -9.040 171 HA VAL 21 HA VAL 21 -8.135 -0.701 -6.798 172 HB VAL 21 HB VAL 21 -6.400 1.236 -5.790 173 1HG1 VAL 21 HG13 VAL 21 -5.959 -1.706 -6.390 174 2HG1 VAL 21 HG12 VAL 21 -4.991 -0.750 -5.266 175 3HG1 VAL 21 HG11 VAL 21 -6.698 -1.040 -4.934 176 1HG2 VAL 21 HG23 VAL 21 -5.574 1.526 -8.142 177 2HG2 VAL 21 HG22 VAL 21 -4.331 0.931 -7.040 178 3HG2 VAL 21 HG21 VAL 21 -5.129 -0.180 -8.154 179 NH1 ARG 22 NH1 ARG 22 -9.658 7.927 -11.808 180 NH2 ARG 22 NH2 ARG 22 -11.611 7.114 -11.012 181 H ARG 22 HN ARG 22 -7.887 2.460 -8.366 182 HA ARG 22 HA ARG 22 -9.057 4.147 -6.478 183 1HB ARG 22 HB2 ARG 22 -8.900 4.034 -9.394 184 2HB ARG 22 HB1 ARG 22 -10.366 4.832 -8.831 185 1HG ARG 22 HG2 ARG 22 -9.013 6.320 -7.399 186 2HG ARG 22 HG1 ARG 22 -7.543 5.523 -7.963 187 1HD ARG 22 HD2 ARG 22 -7.762 7.492 -9.298 188 2HD ARG 22 HD1 ARG 22 -8.272 6.155 -10.329 189 HE ARG 22 HE ARG 22 -10.326 7.725 -8.845 190 1HH1 ARG 22 HH11 ARG 22 -8.708 8.201 -11.658 191 2HH1 ARG 22 HH12 ARG 22 -10.062 8.002 -12.720 192 1HH2 ARG 22 HH21 ARG 22 -12.158 6.766 -10.250 193 2HH2 ARG 22 HH22 ARG 22 -12.014 7.189 -11.924 194 H ASN 23 HN ASN 23 -10.774 2.107 -8.837 195 HA ASN 23 HA ASN 23 -13.402 2.647 -7.836 196 1HB ASN 23 HB2 ASN 23 -12.213 1.360 -9.985 197 2HB ASN 23 HB1 ASN 23 -12.979 0.068 -9.101 198 1HD2 ASN 23 HD22 ASN 23 -15.331 2.971 -10.804 199 2HD2 ASN 23 HD21 ASN 23 -13.678 3.266 -10.561 200 H LEU 24 HN LEU 24 -11.401 -0.279 -7.681 201 HA LEU 24 HA LEU 24 -12.864 -1.919 -6.051 202 1HB LEU 24 HB2 LEU 24 -10.490 -2.230 -7.002 203 2HB LEU 24 HB1 LEU 24 -9.932 -1.447 -5.537 204 HG LEU 24 HG LEU 24 -11.837 -3.615 -4.978 205 1HD1 LEU 24 HD11 LEU 24 -9.278 -4.255 -6.464 206 2HD1 LEU 24 HD13 LEU 24 -10.264 -5.439 -5.611 207 3HD1 LEU 24 HD12 LEU 24 -10.920 -4.589 -7.007 208 1HD2 LEU 24 HD21 LEU 24 -9.060 -2.838 -4.072 209 2HD2 LEU 24 HD23 LEU 24 -10.542 -2.968 -3.131 210 3HD2 LEU 24 HD22 LEU 24 -9.709 -4.419 -3.677 211 H LEU 25 HN LEU 25 -10.767 0.720 -4.839 212 HA LEU 25 HA LEU 25 -11.487 0.245 -2.070 213 1HB LEU 25 HB2 LEU 25 -10.041 2.391 -3.577 214 2HB LEU 25 HB1 LEU 25 -10.642 2.772 -1.976 215 HG LEU 25 HG LEU 25 -9.156 0.208 -2.340 216 1HD1 LEU 25 HD11 LEU 25 -8.019 2.972 -2.532 217 2HD1 LEU 25 HD13 LEU 25 -7.104 1.744 -1.658 218 3HD1 LEU 25 HD12 LEU 25 -7.514 1.497 -3.355 219 1HD2 LEU 25 HD21 LEU 25 -10.242 0.864 -0.183 220 2HD2 LEU 25 HD23 LEU 25 -8.494 0.685 -0.033 221 3HD2 LEU 25 HD22 LEU 25 -9.212 2.293 -0.133 222 H LYS 26 HN LYS 26 -12.639 2.490 -4.576 223 HA LYS 26 HA LYS 26 -14.448 3.908 -2.922 224 1HB LYS 26 HB2 LYS 26 -13.927 4.781 -5.109 225 2HB LYS 26 HB1 LYS 26 -14.511 3.311 -5.887 226 1HG LYS 26 HG2 LYS 26 -16.761 3.802 -5.417 227 2HG LYS 26 HG1 LYS 26 -16.339 4.946 -4.141 228 1HD LYS 26 HD2 LYS 26 -15.547 6.560 -5.737 229 2HD LYS 26 HD1 LYS 26 -15.647 5.391 -7.054 230 1HE LYS 26 HE2 LYS 26 -17.577 6.873 -7.168 231 2HE LYS 26 HE1 LYS 26 -18.118 5.263 -6.695 232 1HZ LYS 26 HZ1 LYS 26 -17.903 6.074 -4.337 233 2HZ LYS 26 HZ3 LYS 26 -17.742 7.640 -4.970 234 3HZ LYS 26 HZ2 LYS 26 -19.169 6.758 -5.242 235 H GLU 27 HN GLU 27 -14.677 0.781 -4.520 236 HA GLU 27 HA GLU 27 -17.475 0.424 -4.395 237 1HB GLU 27 HB2 GLU 27 -15.107 -1.356 -4.568 238 2HB GLU 27 HB1 GLU 27 -16.590 -2.102 -3.975 239 1HG GLU 27 HG2 GLU 27 -16.480 -0.436 -6.501 240 2HG GLU 27 HG1 GLU 27 -16.277 -2.187 -6.495 241 H LEU 28 HN LEU 28 -15.065 0.430 -1.890 242 HA LEU 28 HA LEU 28 -16.875 -0.902 0.030 243 1HB LEU 28 HB2 LEU 28 -14.025 -0.028 0.022 244 2HB LEU 28 HB1 LEU 28 -14.842 -0.125 1.582 245 HG LEU 28 HG LEU 28 -15.125 -2.410 -0.339 246 1HD1 LEU 28 HD11 LEU 28 -12.719 -1.885 1.433 247 2HD1 LEU 28 HD13 LEU 28 -13.067 -3.422 0.642 248 3HD1 LEU 28 HD12 LEU 28 -12.717 -1.990 -0.327 249 1HD2 LEU 28 HD23 LEU 28 -16.288 -2.082 1.969 250 2HD2 LEU 28 HD22 LEU 28 -15.548 -3.645 1.626 251 3HD2 LEU 28 HD21 LEU 28 -14.710 -2.477 2.647 252 H GLY 29 HN GLY 29 -15.500 2.321 -0.535 253 1HA GLY 29 HA2 GLY 29 -17.449 4.012 0.071 254 2HA GLY 29 HA1 GLY 29 -17.102 3.397 1.677 255 H PHE 30 HN PHE 30 -14.241 3.384 -0.055 256 HA PHE 30 HA PHE 30 -13.309 5.774 1.401 257 1HB PHE 30 HB2 PHE 30 -11.818 3.800 -0.334 258 2HB PHE 30 HB1 PHE 30 -11.071 5.042 0.649 259 HD1 PHE 30 HD2 PHE 30 -11.176 4.885 3.150 260 HD2 PHE 30 HD1 PHE 30 -12.693 1.796 0.600 261 HE1 PHE 30 HE2 PHE 30 -11.159 3.294 5.050 262 HE2 PHE 30 HE1 PHE 30 -12.701 0.210 2.502 263 HZ PHE 30 HZ PHE 30 -11.933 0.963 4.736 264 H ASN 31 HN ASN 31 -12.822 7.725 0.384 265 HA ASN 31 HA ASN 31 -12.584 7.781 -2.560 266 1HB ASN 31 HB2 ASN 31 -14.159 9.899 -2.294 267 2HB ASN 31 HB1 ASN 31 -14.837 8.291 -2.507 268 1HD2 ASN 31 HD22 ASN 31 -14.677 9.347 1.440 269 2HD2 ASN 31 HD21 ASN 31 -13.267 9.372 0.494 270 H ASN 32 HN ASN 32 -10.328 8.149 -1.336 271 HA ASN 32 HA ASN 32 -9.650 10.927 -1.708 272 1HB ASN 32 HB2 ASN 32 -10.838 10.834 0.607 273 2HB ASN 32 HB1 ASN 32 -9.363 10.042 1.159 274 1HD2 ASN 32 HD22 ASN 32 -7.782 13.297 -0.336 275 2HD2 ASN 32 HD21 ASN 32 -8.042 11.826 -1.143 276 H VAL 33 HN VAL 33 -7.889 10.152 -2.922 277 HA VAL 33 HA VAL 33 -5.662 9.045 -1.319 278 HB VAL 33 HB VAL 33 -5.350 7.096 -2.567 279 1HG1 VAL 33 HG12 VAL 33 -7.499 6.961 -1.339 280 2HG1 VAL 33 HG11 VAL 33 -8.337 7.512 -2.789 281 3HG1 VAL 33 HG13 VAL 33 -7.491 5.966 -2.793 282 1HG2 VAL 33 HG22 VAL 33 -6.822 8.577 -4.741 283 2HG2 VAL 33 HG21 VAL 33 -5.190 7.901 -4.775 284 3HG2 VAL 33 HG23 VAL 33 -6.590 6.832 -4.826 285 H GLU 34 HN GLU 34 -3.679 8.787 -2.902 286 HA GLU 34 HA GLU 34 -3.731 10.953 -4.949 287 1HB GLU 34 HB2 GLU 34 -1.816 12.049 -4.147 288 2HB GLU 34 HB1 GLU 34 -2.744 11.749 -2.687 289 1HG GLU 34 HG2 GLU 34 -1.367 9.751 -2.244 290 2HG GLU 34 HG1 GLU 34 -0.428 10.089 -3.692 291 H GLU 35 HN GLU 35 -1.077 10.731 -5.764 292 HA GLU 35 HA GLU 35 -0.633 7.858 -6.256 293 1HB GLU 35 HB2 GLU 35 -2.200 8.981 -8.033 294 2HB GLU 35 HB1 GLU 35 -0.693 9.665 -8.643 295 1HG GLU 35 HG2 GLU 35 0.111 7.122 -8.359 296 2HG GLU 35 HG1 GLU 35 -1.611 6.828 -8.607 297 H ALA 36 HN ALA 36 1.433 7.375 -7.120 298 HA ALA 36 HA ALA 36 3.392 9.573 -7.381 299 1HB ALA 36 HB2 ALA 36 3.083 8.137 -4.962 300 2HB ALA 36 HB1 ALA 36 4.539 7.501 -5.731 301 3HB ALA 36 HB3 ALA 36 4.400 9.226 -5.392 302 H GLU 37 HN GLU 37 5.681 8.012 -7.498 303 HA GLU 37 HA GLU 37 5.046 5.869 -9.483 304 1HB GLU 37 HB2 GLU 37 7.212 7.944 -9.895 305 2HB GLU 37 HB1 GLU 37 6.676 6.713 -11.039 306 1HG GLU 37 HG2 GLU 37 4.338 7.834 -10.799 307 2HG GLU 37 HG1 GLU 37 5.235 9.202 -10.142 308 H ASP 38 HN ASP 38 6.772 6.824 -6.741 309 HA ASP 38 HA ASP 38 8.089 4.291 -6.501 310 1HB ASP 38 HB2 ASP 38 10.425 5.796 -6.466 311 2HB ASP 38 HB1 ASP 38 9.946 4.673 -7.737 312 H GLY 39 HN GLY 39 9.952 4.636 -4.655 313 1HA GLY 39 HA2 GLY 39 8.524 5.622 -2.381 314 2HA GLY 39 HA1 GLY 39 10.223 5.167 -2.373 315 H VAL 40 HN VAL 40 11.395 6.993 -4.053 316 HA VAL 40 HA VAL 40 11.621 9.334 -2.507 317 HB VAL 40 HB VAL 40 13.310 9.129 -4.114 318 1HG1 VAL 40 HG11 VAL 40 11.055 8.230 -5.840 319 2HG1 VAL 40 HG13 VAL 40 12.427 8.985 -6.648 320 3HG1 VAL 40 HG12 VAL 40 12.670 7.548 -5.656 321 1HG2 VAL 40 HG22 VAL 40 12.089 11.433 -4.084 322 2HG2 VAL 40 HG21 VAL 40 13.222 11.105 -5.395 323 3HG2 VAL 40 HG23 VAL 40 11.486 10.958 -5.673 324 H ASP 41 HN ASP 41 9.365 8.492 -5.070 325 HA ASP 41 HA ASP 41 8.144 11.092 -5.312 326 1HB ASP 41 HB2 ASP 41 7.984 9.013 -6.878 327 2HB ASP 41 HB1 ASP 41 6.700 8.494 -5.792 328 H ALA 42 HN ALA 42 7.198 8.114 -3.543 329 HA ALA 42 HA ALA 42 4.947 9.345 -2.239 330 1HB ALA 42 HB1 ALA 42 6.354 6.793 -2.147 331 2HB ALA 42 HB3 ALA 42 5.890 7.335 -0.535 332 3HB ALA 42 HB2 ALA 42 4.665 7.147 -1.785 333 H LEU 43 HN LEU 43 8.347 9.535 -1.757 334 HA LEU 43 HA LEU 43 8.234 10.277 1.057 335 1HB LEU 43 HB2 LEU 43 10.245 9.454 -0.615 336 2HB LEU 43 HB1 LEU 43 10.552 11.189 -0.528 337 HG LEU 43 HG LEU 43 10.227 9.336 1.853 338 1HD1 LEU 43 HD13 LEU 43 12.589 10.465 0.383 339 2HD1 LEU 43 HD12 LEU 43 12.701 10.215 2.126 340 3HD1 LEU 43 HD11 LEU 43 12.363 8.851 1.059 341 1HD2 LEU 43 HD22 LEU 43 10.537 12.307 1.532 342 2HD2 LEU 43 HD21 LEU 43 9.511 11.411 2.651 343 3HD2 LEU 43 HD23 LEU 43 11.248 11.516 2.938 344 H ASN 44 HN ASN 44 8.015 11.922 -2.026 345 HA ASN 44 HA ASN 44 8.304 14.572 -0.751 346 1HB ASN 44 HB2 ASN 44 8.235 13.517 -3.521 347 2HB ASN 44 HB1 ASN 44 7.547 15.125 -3.294 348 1HD2 ASN 44 HD22 ASN 44 11.506 14.793 -3.429 349 2HD2 ASN 44 HD21 ASN 44 10.423 13.625 -4.016 350 H LYS 45 HN LYS 45 5.764 12.511 -2.085 351 HA LYS 45 HA LYS 45 3.749 14.645 -1.725 352 1HB LYS 45 HB2 LYS 45 3.949 12.193 -3.253 353 2HB LYS 45 HB1 LYS 45 2.474 12.182 -2.288 354 1HG LYS 45 HG2 LYS 45 1.947 13.222 -4.397 355 2HG LYS 45 HG1 LYS 45 1.974 14.498 -3.182 356 1HD LYS 45 HD2 LYS 45 3.290 15.498 -4.795 357 2HD LYS 45 HD1 LYS 45 4.547 14.620 -3.925 358 1HE LYS 45 HE2 LYS 45 3.932 12.667 -5.569 359 2HE LYS 45 HE1 LYS 45 3.260 13.964 -6.557 360 1HZ LYS 45 HZ3 LYS 45 5.650 14.964 -5.814 361 2HZ LYS 45 HZ2 LYS 45 6.009 13.314 -5.996 362 3HZ LYS 45 HZ1 LYS 45 5.341 14.190 -7.290 363 H LEU 46 HN LEU 46 4.081 11.266 -0.566 364 HA LEU 46 HA LEU 46 2.066 11.364 1.380 365 1HB LEU 46 HB2 LEU 46 3.749 9.468 0.575 366 2HB LEU 46 HB1 LEU 46 4.631 9.938 2.016 367 HG LEU 46 HG LEU 46 1.669 9.309 2.171 368 1HD1 LEU 46 HD11 LEU 46 3.790 7.422 1.539 369 2HD1 LEU 46 HD13 LEU 46 3.022 7.049 3.076 370 3HD1 LEU 46 HD12 LEU 46 2.047 7.165 1.616 371 1HD2 LEU 46 HD23 LEU 46 3.970 9.438 4.101 372 2HD2 LEU 46 HD22 LEU 46 2.388 10.209 4.195 373 3HD2 LEU 46 HD21 LEU 46 2.540 8.479 4.465 374 H GLN 47 HN GLN 47 5.164 12.927 1.366 375 HA GLN 47 HA GLN 47 5.666 13.300 4.110 376 1HB GLN 47 HB2 GLN 47 6.754 14.305 1.806 377 2HB GLN 47 HB1 GLN 47 5.961 15.735 2.462 378 1HG GLN 47 HG2 GLN 47 8.096 15.792 3.458 379 2HG GLN 47 HG1 GLN 47 7.078 15.071 4.706 380 1HE2 GLN 47 HE22 GLN 47 10.234 13.006 3.512 381 2HE2 GLN 47 HE21 GLN 47 10.052 14.685 3.360 382 H ALA 48 HN ALA 48 3.210 14.695 2.055 383 HA ALA 48 HA ALA 48 2.349 16.930 3.426 384 1HB ALA 48 HB1 ALA 48 1.285 15.319 1.451 385 2HB ALA 48 HB3 ALA 48 0.119 15.137 2.761 386 3HB ALA 48 HB2 ALA 48 0.497 16.741 2.132 387 H GLY 49 HN GLY 49 1.135 13.616 4.109 388 1HA GLY 49 HA2 GLY 49 1.111 12.769 6.422 389 2HA GLY 49 HA1 GLY 49 0.884 14.423 6.982 390 H GLY 50 HN GLY 50 -0.700 11.555 6.296 391 1HA GLY 50 HA2 GLY 50 -3.194 12.110 7.188 392 2HA GLY 50 HA1 GLY 50 -3.273 12.780 5.558 393 OH TYR 51 OH TYR 51 -1.715 12.838 -0.632 394 H TYR 51 HN TYR 51 -1.418 10.720 4.494 395 HA TYR 51 HA TYR 51 -3.358 8.783 3.705 396 1HB TYR 51 HB2 TYR 51 -0.337 8.588 3.572 397 2HB TYR 51 HB1 TYR 51 -1.490 7.645 2.627 398 HD1 TYR 51 HD2 TYR 51 -2.971 8.759 0.970 399 HD2 TYR 51 HD1 TYR 51 0.166 10.849 3.009 400 HE1 TYR 51 HE2 TYR 51 -3.155 10.619 -0.661 401 HE2 TYR 51 HE1 TYR 51 -0.011 12.713 1.385 402 HH TYR 51 HH TYR 51 -1.383 13.632 -0.205 403 H GLY 52 HN GLY 52 -4.207 7.993 5.719 404 1HA GLY 52 HA2 GLY 52 -2.524 6.657 7.645 405 2HA GLY 52 HA1 GLY 52 -4.274 6.512 7.546 406 H PHE 53 HN PHE 53 -2.851 5.943 4.550 407 HA PHE 53 HA PHE 53 -2.290 3.093 4.970 408 1HB PHE 53 HB2 PHE 53 -4.912 3.841 4.599 409 2HB PHE 53 HB1 PHE 53 -4.390 3.453 2.970 410 HD1 PHE 53 HD1 PHE 53 -4.801 2.148 6.396 411 HD2 PHE 53 HD2 PHE 53 -3.829 1.176 2.341 412 HE1 PHE 53 HE1 PHE 53 -5.078 -0.241 6.908 413 HE2 PHE 53 HE2 PHE 53 -4.106 -1.214 2.842 414 HZ PHE 53 HZ PHE 53 -4.721 -1.944 5.135 415 H VAL 54 HN VAL 54 -1.351 2.130 3.061 416 HA VAL 54 HA VAL 54 -0.981 3.902 0.708 417 HB VAL 54 HB VAL 54 1.357 2.642 2.141 418 1HG1 VAL 54 HG11 VAL 54 1.105 3.511 -0.476 419 2HG1 VAL 54 HG13 VAL 54 1.816 4.902 0.340 420 3HG1 VAL 54 HG12 VAL 54 2.623 3.335 0.398 421 1HG2 VAL 54 HG23 VAL 54 0.310 5.481 2.192 422 2HG2 VAL 54 HG22 VAL 54 0.513 4.397 3.568 423 3HG2 VAL 54 HG21 VAL 54 1.926 5.029 2.727 424 H ILE 55 HN ILE 55 -0.667 2.770 -1.174 425 HA ILE 55 HA ILE 55 -0.502 -0.220 -0.991 426 HB ILE 55 HB ILE 55 -2.339 1.576 -2.570 427 1HG1 ILE 55 HG12 ILE 55 -2.833 -1.133 -1.315 428 2HG1 ILE 55 HG11 ILE 55 -2.958 0.370 -0.399 429 1HG2 ILE 55 HG23 ILE 55 -1.190 -1.064 -3.407 430 2HG2 ILE 55 HG22 ILE 55 -2.841 -0.651 -3.857 431 3HG2 ILE 55 HG21 ILE 55 -1.499 0.365 -4.385 432 1HD1 ILE 55 HD11 ILE 55 -4.377 0.450 -2.969 433 2HD1 ILE 55 HD13 ILE 55 -5.007 -0.766 -1.857 434 3HD1 ILE 55 HD12 ILE 55 -4.930 0.926 -1.365 435 H SER 56 HN SER 56 1.628 -0.495 -1.662 436 HA SER 56 HA SER 56 2.509 0.962 -4.130 437 1HB SER 56 HB2 SER 56 4.623 1.143 -3.248 438 2HB SER 56 HB1 SER 56 3.712 1.109 -1.741 439 HG SER 56 HG SER 56 5.510 -0.409 -1.905 440 H ASP 57 HN ASP 57 3.633 -0.232 -5.732 441 HA ASP 57 HA ASP 57 2.819 -3.027 -5.944 442 1HB ASP 57 HB2 ASP 57 4.534 -2.684 -8.016 443 2HB ASP 57 HB1 ASP 57 2.843 -2.181 -8.070 444 CH2 TRP 58 CH2 TRP 58 9.753 -6.601 -1.672 445 H TRP 58 HN TRP 58 6.060 -1.919 -6.799 446 HA TRP 58 HA TRP 58 7.361 -3.250 -4.574 447 1HB TRP 58 HB2 TRP 58 6.573 -5.184 -6.007 448 2HB TRP 58 HB1 TRP 58 7.627 -4.581 -7.283 449 HD1 TRP 58 HD1 TRP 58 9.931 -5.629 -7.291 450 HE1 TRP 58 HE1 TRP 58 11.480 -6.717 -5.541 451 HE3 TRP 58 HE3 TRP 58 7.083 -5.030 -3.092 452 HZ2 TRP 58 HZ2 TRP 58 11.508 -7.261 -2.728 453 HZ3 TRP 58 HZ3 TRP 58 7.896 -5.838 -0.900 454 HH2 TRP 58 HH2 TRP 58 10.100 -6.953 -0.711 455 H ASN 59 HN ASN 59 9.817 -3.315 -5.005 456 HA ASN 59 HA ASN 59 10.585 -0.738 -6.121 457 1HB ASN 59 HB2 ASN 59 12.763 -1.206 -5.277 458 2HB ASN 59 HB1 ASN 59 11.649 -1.909 -4.104 459 1HD2 ASN 59 HD21 ASN 59 11.054 -4.103 -6.230 460 2HD2 ASN 59 HD22 ASN 59 12.366 -5.169 -6.071 461 H MET 60 HN MET 60 9.422 -2.281 -8.135 462 HA MET 60 HA MET 60 11.400 -3.674 -9.705 463 1HB MET 60 HB2 MET 60 8.592 -3.188 -9.843 464 2HB MET 60 HB1 MET 60 9.304 -2.696 -11.379 465 1HG MET 60 HG2 MET 60 10.405 -4.869 -11.601 466 2HG MET 60 HG1 MET 60 9.792 -5.364 -10.022 467 1HE MET 60 HE3 MET 60 9.363 -5.267 -13.679 468 2HE MET 60 HE2 MET 60 7.644 -5.094 -14.023 469 3HE MET 60 HE1 MET 60 8.549 -3.726 -13.381 470 HA PRO 61 HA PRO 61 11.461 0.428 -12.261 471 1HB PRO 61 HB2 PRO 61 10.881 2.616 -10.483 472 2HB PRO 61 HB1 PRO 61 9.996 2.129 -11.935 473 1HG PRO 61 HG2 PRO 61 9.126 1.864 -9.227 474 2HG PRO 61 HG1 PRO 61 8.313 1.255 -10.675 475 1HD PRO 61 HD2 PRO 61 9.779 -0.227 -8.650 476 2HD PRO 61 HD1 PRO 61 8.790 -0.860 -9.981 477 H ASN 62 HN ASN 62 12.065 1.052 -8.778 478 HA ASN 62 HA ASN 62 14.945 0.916 -9.182 479 1HB ASN 62 HB2 ASN 62 15.522 3.183 -8.858 480 2HB ASN 62 HB1 ASN 62 14.181 3.257 -10.001 481 1HD2 ASN 62 HD22 ASN 62 12.085 5.038 -7.798 482 2HD2 ASN 62 HD21 ASN 62 12.314 4.399 -9.354 483 H MET 63 HN MET 63 16.084 0.996 -7.136 484 HA MET 63 HA MET 63 14.877 -0.244 -4.964 485 1HB MET 63 HB2 MET 63 17.083 1.834 -4.797 486 2HB MET 63 HB1 MET 63 16.723 0.606 -3.584 487 1HG MET 63 HG2 MET 63 17.778 -1.023 -4.754 488 2HG MET 63 HG1 MET 63 17.094 -0.488 -6.289 489 1HE MET 63 HE3 MET 63 19.992 -1.563 -5.287 490 2HE MET 63 HE2 MET 63 19.759 -1.356 -7.021 491 3HE MET 63 HE1 MET 63 21.160 -0.631 -6.235 492 H ASP 64 HN ASP 64 13.306 0.391 -3.553 493 HA ASP 64 HA ASP 64 13.192 2.909 -2.261 494 1HB ASP 64 HB2 ASP 64 12.091 2.887 -4.957 495 2HB ASP 64 HB1 ASP 64 10.870 3.326 -3.761 496 H GLY 65 HN GLY 65 10.751 0.795 -3.821 497 1HA GLY 65 HA2 GLY 65 8.737 0.752 -1.995 498 2HA GLY 65 HA1 GLY 65 9.234 -0.698 -2.789 499 H LEU 66 HN LEU 66 11.821 -0.984 -1.578 500 HA LEU 66 HA LEU 66 11.029 -2.174 0.948 501 1HB LEU 66 HB2 LEU 66 13.239 -2.381 -0.824 502 2HB LEU 66 HB1 LEU 66 13.892 -1.856 0.727 503 HG LEU 66 HG LEU 66 13.835 -4.305 0.627 504 1HD1 LEU 66 HD12 LEU 66 12.792 -2.726 2.661 505 2HD1 LEU 66 HD11 LEU 66 11.573 -3.983 2.452 506 3HD1 LEU 66 HD13 LEU 66 13.244 -4.425 2.804 507 1HD2 LEU 66 HD23 LEU 66 11.356 -3.831 -0.695 508 2HD2 LEU 66 HD22 LEU 66 12.151 -5.379 -0.413 509 3HD2 LEU 66 HD21 LEU 66 11.001 -4.751 0.768 510 H GLU 67 HN GLU 67 13.294 0.496 0.147 511 HA GLU 67 HA GLU 67 13.621 1.354 2.864 512 1HB GLU 67 HB2 GLU 67 14.487 2.204 0.260 513 2HB GLU 67 HB1 GLU 67 13.854 3.604 1.128 514 1HG GLU 67 HG2 GLU 67 16.231 3.351 1.631 515 2HG GLU 67 HG1 GLU 67 15.288 2.994 3.079 516 H LEU 68 HN LEU 68 10.980 1.467 0.801 517 HA LEU 68 HA LEU 68 9.747 3.959 1.643 518 1HB LEU 68 HB2 LEU 68 9.256 1.848 -0.176 519 2HB LEU 68 HB1 LEU 68 7.840 1.966 0.832 520 HG LEU 68 HG LEU 68 9.075 4.358 -0.526 521 1HD1 LEU 68 HD13 LEU 68 7.132 2.287 -1.539 522 2HD1 LEU 68 HD12 LEU 68 7.005 3.946 -2.100 523 3HD1 LEU 68 HD11 LEU 68 8.487 3.033 -2.389 524 1HD2 LEU 68 HD23 LEU 68 6.343 3.741 0.630 525 2HD2 LEU 68 HD22 LEU 68 7.548 4.825 1.325 526 3HD2 LEU 68 HD21 LEU 68 6.770 5.232 -0.202 527 H LEU 69 HN LEU 69 8.905 0.544 2.293 528 HA LEU 69 HA LEU 69 7.250 1.305 4.567 529 1HB LEU 69 HB2 LEU 69 6.354 -0.703 4.182 530 2HB LEU 69 HB1 LEU 69 7.503 -0.917 2.879 531 HG LEU 69 HG LEU 69 9.145 -1.836 4.605 532 1HD1 LEU 69 HD12 LEU 69 6.911 -1.135 6.366 533 2HD1 LEU 69 HD11 LEU 69 7.326 -2.845 6.501 534 3HD1 LEU 69 HD13 LEU 69 8.548 -1.614 6.790 535 1HD2 LEU 69 HD23 LEU 69 6.779 -3.069 3.428 536 2HD2 LEU 69 HD22 LEU 69 8.416 -3.703 3.575 537 3HD2 LEU 69 HD21 LEU 69 7.277 -3.899 4.904 538 H LYS 70 HN LYS 70 10.539 0.154 4.123 539 HA LYS 70 HA LYS 70 11.032 -0.498 6.887 540 1HB LYS 70 HB2 LYS 70 12.452 -1.072 4.782 541 2HB LYS 70 HB1 LYS 70 13.149 0.533 5.004 542 1HG LYS 70 HG2 LYS 70 13.508 -0.201 7.470 543 2HG LYS 70 HG1 LYS 70 13.266 -1.838 6.859 544 1HD LYS 70 HD2 LYS 70 15.054 -1.359 5.134 545 2HD LYS 70 HD1 LYS 70 15.384 0.146 5.994 546 1HE LYS 70 HE2 LYS 70 15.461 -2.594 7.286 547 2HE LYS 70 HE1 LYS 70 16.884 -1.748 6.681 548 1HZ LYS 70 HZ2 LYS 70 16.347 0.098 8.171 549 2HZ LYS 70 HZ1 LYS 70 15.032 -0.780 8.790 550 3HZ LYS 70 HZ3 LYS 70 16.613 -1.346 9.027 551 H THR 71 HN THR 71 11.654 2.445 4.950 552 HA THR 71 HA THR 71 12.733 3.969 7.126 553 HB THR 71 HB THR 71 11.258 4.951 4.659 554 HG1 THR 71 HG1 THR 71 13.905 4.177 5.193 555 1HG2 THR 71 HG23 THR 71 12.574 6.291 6.919 556 2HG2 THR 71 HG22 THR 71 13.169 6.816 5.344 557 3HG2 THR 71 HG21 THR 71 11.451 6.940 5.723 558 H ILE 72 HN ILE 72 9.436 3.589 5.850 559 HA ILE 72 HA ILE 72 8.167 5.502 7.536 560 HB ILE 72 HB ILE 72 7.193 2.960 6.220 561 1HG1 ILE 72 HG12 ILE 72 6.399 5.841 5.741 562 2HG1 ILE 72 HG11 ILE 72 7.755 5.085 4.906 563 1HG2 ILE 72 HG22 ILE 72 5.795 4.802 8.137 564 2HG2 ILE 72 HG21 ILE 72 4.880 4.057 6.825 565 3HG2 ILE 72 HG23 ILE 72 5.703 3.046 8.014 566 1HD1 ILE 72 HD12 ILE 72 6.233 3.319 4.058 567 2HD1 ILE 72 HD11 ILE 72 4.881 4.112 4.862 568 3HD1 ILE 72 HD13 ILE 72 5.717 4.920 3.537 569 NH1 ARG 73 NH1 ARG 73 10.939 -2.315 13.014 570 NH2 ARG 73 NH2 ARG 73 12.084 -3.529 11.490 571 H ARG 73 HN ARG 73 9.357 2.272 8.141 572 HA ARG 73 HA ARG 73 7.947 2.094 10.726 573 1HB ARG 73 HB2 ARG 73 8.349 0.092 9.217 574 2HB ARG 73 HB1 ARG 73 10.059 0.224 9.629 575 1HG ARG 73 HG2 ARG 73 9.494 -0.003 12.027 576 2HG ARG 73 HG1 ARG 73 7.789 -0.165 11.602 577 1HD ARG 73 HD2 ARG 73 8.649 -2.392 11.892 578 2HD ARG 73 HD1 ARG 73 8.440 -2.143 10.159 579 HE ARG 73 HE ARG 73 10.866 -1.907 9.958 580 1HH1 ARG 73 HH11 ARG 73 10.228 -1.646 13.232 581 2HH1 ARG 73 HH12 ARG 73 11.482 -2.724 13.748 582 1HH2 ARG 73 HH21 ARG 73 12.250 -3.791 10.540 583 2HH2 ARG 73 HH22 ARG 73 12.627 -3.938 12.223 584 H ALA 74 HN ALA 74 11.077 2.996 9.471 585 HA ALA 74 HA ALA 74 12.633 2.669 11.838 586 1HB ALA 74 HB2 ALA 74 13.546 3.209 9.560 587 2HB ALA 74 HB1 ALA 74 12.930 4.850 9.751 588 3HB ALA 74 HB3 ALA 74 14.183 4.248 10.834 589 H ASP 75 HN ASP 75 10.296 5.093 10.886 590 HA ASP 75 HA ASP 75 11.058 6.994 12.966 591 1HB ASP 75 HB2 ASP 75 8.705 7.932 12.340 592 2HB ASP 75 HB1 ASP 75 9.989 8.011 11.133 593 H GLY 76 HN GLY 76 10.951 5.845 14.947 594 1HA GLY 76 HA2 GLY 76 8.843 4.134 15.769 595 2HA GLY 76 HA1 GLY 76 9.888 5.027 16.872 596 H ALA 77 HN ALA 77 8.977 7.609 15.540 597 HA ALA 77 HA ALA 77 6.703 8.054 17.322 598 1HB ALA 77 HB1 ALA 77 8.365 9.757 15.496 599 2HB ALA 77 HB3 ALA 77 6.804 10.365 16.044 600 3HB ALA 77 HB2 ALA 77 8.049 9.949 17.220 601 H MET 78 HN MET 78 7.053 6.923 14.150 602 HA MET 78 HA MET 78 4.145 7.220 13.714 603 1HB MET 78 HB2 MET 78 6.268 8.354 11.888 604 2HB MET 78 HB1 MET 78 4.654 7.949 11.301 605 1HG MET 78 HG2 MET 78 3.686 9.423 13.071 606 2HG MET 78 HG1 MET 78 5.323 9.894 13.529 607 1HE MET 78 HE2 MET 78 4.812 12.228 13.326 608 2HE MET 78 HE1 MET 78 4.393 13.133 11.874 609 3HE MET 78 HE3 MET 78 3.176 12.133 12.679 610 H SER 79 HN SER 79 6.324 5.077 14.122 611 HA SER 79 HA SER 79 6.377 3.595 11.618 612 1HB SER 79 HB2 SER 79 7.359 1.788 12.965 613 2HB SER 79 HB1 SER 79 8.139 3.321 13.338 614 HG SER 79 HG SER 79 6.212 3.293 14.984 615 H ALA 80 HN ALA 80 3.854 3.954 11.547 616 HA ALA 80 HA ALA 80 2.663 1.389 12.399 617 1HB ALA 80 HB3 ALA 80 2.243 3.755 13.884 618 2HB ALA 80 HB2 ALA 80 0.760 3.476 12.972 619 3HB ALA 80 HB1 ALA 80 1.384 2.223 14.045 620 H LEU 81 HN LEU 81 2.505 4.334 10.479 621 HA LEU 81 HA LEU 81 0.123 4.154 9.146 622 1HB LEU 81 HB2 LEU 81 2.548 5.420 8.650 623 2HB LEU 81 HB1 LEU 81 2.241 4.475 7.194 624 HG LEU 81 HG LEU 81 -0.092 5.416 7.143 625 1HD1 LEU 81 HD12 LEU 81 0.889 6.670 9.638 626 2HD1 LEU 81 HD11 LEU 81 0.050 7.763 8.540 627 3HD1 LEU 81 HD13 LEU 81 -0.759 6.313 9.129 628 1HD2 LEU 81 HD21 LEU 81 2.366 7.121 6.890 629 2HD2 LEU 81 HD23 LEU 81 1.319 6.480 5.625 630 3HD2 LEU 81 HD22 LEU 81 0.779 7.839 6.611 631 HA PRO 82 HA PRO 82 0.535 -0.192 7.779 632 1HB PRO 82 HB2 PRO 82 -2.049 0.009 6.522 633 2HB PRO 82 HB1 PRO 82 -1.608 -0.889 7.970 634 1HG PRO 82 HG2 PRO 82 -3.150 1.509 7.832 635 2HG PRO 82 HG1 PRO 82 -2.625 0.660 9.287 636 1HD PRO 82 HD2 PRO 82 -1.663 3.163 8.229 637 2HD PRO 82 HD1 PRO 82 -1.188 2.351 9.735 638 H VAL 83 HN VAL 83 1.773 -0.555 6.032 639 HA VAL 83 HA VAL 83 1.021 0.688 3.404 640 HB VAL 83 HB VAL 83 3.668 -0.186 4.559 641 1HG1 VAL 83 HG13 VAL 83 2.796 -0.341 1.670 642 2HG1 VAL 83 HG12 VAL 83 4.454 0.100 2.053 643 3HG1 VAL 83 HG11 VAL 83 3.823 -1.453 2.578 644 1HG2 VAL 83 HG23 VAL 83 2.548 2.267 4.097 645 2HG2 VAL 83 HG22 VAL 83 4.277 1.953 4.212 646 3HG2 VAL 83 HG21 VAL 83 3.503 2.016 2.633 647 H LEU 84 HN LEU 84 -0.304 -0.897 2.457 648 HA LEU 84 HA LEU 84 0.553 -3.667 2.900 649 1HB LEU 84 HB2 LEU 84 -1.900 -3.071 2.965 650 2HB LEU 84 HB1 LEU 84 -1.796 -2.659 1.265 651 HG LEU 84 HG LEU 84 -1.867 -4.840 0.596 652 1HD1 LEU 84 HD13 LEU 84 -0.380 -5.699 3.106 653 2HD1 LEU 84 HD12 LEU 84 -0.853 -6.759 1.787 654 3HD1 LEU 84 HD11 LEU 84 0.340 -5.503 1.505 655 1HD2 LEU 84 HD21 LEU 84 -3.766 -4.573 2.161 656 2HD2 LEU 84 HD23 LEU 84 -3.199 -6.242 2.099 657 3HD2 LEU 84 HD22 LEU 84 -2.764 -5.213 3.463 658 H MET 85 HN MET 85 2.286 -4.169 1.710 659 HA MET 85 HA MET 85 2.686 -2.882 -0.877 660 1HB MET 85 HB2 MET 85 4.345 -4.051 1.055 661 2HB MET 85 HB1 MET 85 4.453 -5.141 -0.329 662 1HG MET 85 HG2 MET 85 5.003 -3.248 -1.800 663 2HG MET 85 HG1 MET 85 4.846 -2.133 -0.443 664 1HE MET 85 HE3 MET 85 7.092 -2.399 -2.412 665 2HE MET 85 HE2 MET 85 7.568 -1.323 -1.101 666 3HE MET 85 HE1 MET 85 8.648 -2.621 -1.602 667 H VAL 86 HN VAL 86 1.755 -3.604 -2.670 668 HA VAL 86 HA VAL 86 0.827 -6.426 -2.794 669 HB VAL 86 HB VAL 86 -0.986 -5.012 -3.194 670 1HG1 VAL 86 HG11 VAL 86 0.876 -3.277 -4.774 671 2HG1 VAL 86 HG13 VAL 86 -0.857 -3.014 -4.643 672 3HG1 VAL 86 HG12 VAL 86 0.162 -2.916 -3.209 673 1HG2 VAL 86 HG22 VAL 86 -0.467 -6.676 -5.071 674 2HG2 VAL 86 HG21 VAL 86 -1.594 -5.377 -5.433 675 3HG2 VAL 86 HG23 VAL 86 0.064 -5.267 -5.996 676 H THR 87 HN THR 87 1.296 -7.701 -4.685 677 HA THR 87 HA THR 87 3.178 -6.554 -6.663 678 HB THR 87 HB THR 87 4.491 -7.493 -4.653 679 HG1 THR 87 HG1 THR 87 5.357 -8.945 -6.786 680 1HG2 THR 87 HG22 THR 87 2.869 -9.595 -4.784 681 2HG2 THR 87 HG21 THR 87 4.079 -10.164 -5.933 682 3HG2 THR 87 HG23 THR 87 4.548 -9.775 -4.278 683 H ALA 88 HN ALA 88 3.626 -8.186 -8.443 684 HA ALA 88 HA ALA 88 1.118 -9.643 -9.018 685 1HB ALA 88 HB1 ALA 88 3.557 -9.001 -10.697 686 2HB ALA 88 HB3 ALA 88 2.197 -9.957 -11.284 687 3HB ALA 88 HB2 ALA 88 1.956 -8.273 -10.820 688 H GLU 89 HN GLU 89 4.086 -10.811 -10.388 689 HA GLU 89 HA GLU 89 3.582 -13.510 -9.640 690 1HB GLU 89 HB2 GLU 89 6.119 -12.101 -10.507 691 2HB GLU 89 HB1 GLU 89 6.037 -13.842 -10.235 692 1HG GLU 89 HG2 GLU 89 5.672 -13.323 -12.614 693 2HG GLU 89 HG1 GLU 89 4.214 -14.011 -11.899 694 H ALA 90 HN ALA 90 3.105 -13.248 -7.323 695 HA ALA 90 HA ALA 90 5.132 -12.367 -5.466 696 1HB ALA 90 HB2 ALA 90 2.545 -13.885 -5.221 697 2HB ALA 90 HB1 ALA 90 3.623 -13.749 -3.833 698 3HB ALA 90 HB3 ALA 90 2.958 -12.296 -4.582 699 H LYS 91 HN LYS 91 6.860 -13.752 -6.627 700 HA LYS 91 HA LYS 91 6.972 -16.541 -6.569 701 1HB LYS 91 HB2 LYS 91 8.924 -14.348 -6.596 702 2HB LYS 91 HB1 LYS 91 9.541 -15.790 -5.796 703 1HG LYS 91 HG2 LYS 91 10.061 -15.917 -8.171 704 2HG LYS 91 HG1 LYS 91 8.852 -17.141 -7.786 705 1HD LYS 91 HD2 LYS 91 7.421 -14.777 -8.412 706 2HD LYS 91 HD1 LYS 91 8.667 -14.947 -9.647 707 1HE LYS 91 HE2 LYS 91 6.683 -17.090 -8.827 708 2HE LYS 91 HE1 LYS 91 6.634 -16.152 -10.319 709 1HZ LYS 91 HZ2 LYS 91 9.193 -17.278 -10.014 710 2HZ LYS 91 HZ1 LYS 91 8.033 -18.506 -9.831 711 3HZ LYS 91 HZ3 LYS 91 8.050 -17.560 -11.239 712 H LYS 92 HN LYS 92 8.941 -14.889 -4.148 713 HA LYS 92 HA LYS 92 7.516 -15.641 -1.817 714 1HB LYS 92 HB2 LYS 92 8.992 -17.565 -1.075 715 2HB LYS 92 HB1 LYS 92 7.864 -17.967 -2.362 716 1HG LYS 92 HG2 LYS 92 9.878 -17.315 -3.940 717 2HG LYS 92 HG1 LYS 92 10.843 -17.612 -2.497 718 1HD LYS 92 HD2 LYS 92 8.928 -19.558 -3.810 719 2HD LYS 92 HD1 LYS 92 10.688 -19.670 -3.792 720 1HE LYS 92 HE2 LYS 92 10.211 -21.053 -2.005 721 2HE LYS 92 HE1 LYS 92 10.299 -19.511 -1.155 722 1HZ LYS 92 HZ1 LYS 92 7.720 -19.768 -2.175 723 2HZ LYS 92 HZ3 LYS 92 8.101 -21.239 -1.420 724 3HZ LYS 92 HZ2 LYS 92 8.205 -19.786 -0.546 725 H GLU 93 HN GLU 93 10.921 -15.844 -2.925 726 HA GLU 93 HA GLU 93 12.092 -14.757 -0.619 727 1HB GLU 93 HB2 GLU 93 13.144 -14.117 -3.366 728 2HB GLU 93 HB1 GLU 93 14.050 -14.477 -1.896 729 1HG GLU 93 HG2 GLU 93 12.990 -16.809 -1.994 730 2HG GLU 93 HG1 GLU 93 12.491 -16.395 -3.635 731 H ASN 94 HN ASN 94 10.582 -13.139 -3.372 732 HA ASN 94 HA ASN 94 11.406 -10.478 -2.497 733 1HB ASN 94 HB2 ASN 94 10.064 -11.650 -4.784 734 2HB ASN 94 HB1 ASN 94 9.206 -10.217 -4.222 735 1HD2 ASN 94 HD22 ASN 94 12.944 -9.838 -5.841 736 2HD2 ASN 94 HD21 ASN 94 12.331 -11.376 -5.463 737 H ILE 95 HN ILE 95 8.998 -12.668 -1.519 738 HA ILE 95 HA ILE 95 7.073 -10.595 -0.705 739 HB ILE 95 HB ILE 95 7.193 -13.577 -0.157 740 1HG1 ILE 95 HG12 ILE 95 6.763 -13.089 -2.508 741 2HG1 ILE 95 HG11 ILE 95 5.278 -13.657 -1.755 742 1HG2 ILE 95 HG21 ILE 95 5.152 -11.479 0.582 743 2HG2 ILE 95 HG23 ILE 95 4.749 -13.193 0.492 744 3HG2 ILE 95 HG22 ILE 95 5.964 -12.633 1.640 745 1HD1 ILE 95 HD12 ILE 95 4.888 -11.047 -1.362 746 2HD1 ILE 95 HD11 ILE 95 5.980 -10.920 -2.739 747 3HD1 ILE 95 HD13 ILE 95 4.470 -11.808 -2.889 748 H ILE 96 HN ILE 96 8.736 -13.158 1.170 749 HA ILE 96 HA ILE 96 8.414 -12.011 3.698 750 HB ILE 96 HB ILE 96 10.810 -13.518 2.599 751 1HG1 ILE 96 HG12 ILE 96 9.273 -15.012 4.468 752 2HG1 ILE 96 HG11 ILE 96 8.133 -14.289 3.333 753 1HG2 ILE 96 HG22 ILE 96 10.114 -12.533 5.351 754 2HG2 ILE 96 HG21 ILE 96 11.004 -14.045 5.167 755 3HG2 ILE 96 HG23 ILE 96 11.677 -12.543 4.535 756 1HD1 ILE 96 HD11 ILE 96 10.601 -15.864 2.545 757 2HD1 ILE 96 HD13 ILE 96 8.954 -16.494 2.540 758 3HD1 ILE 96 HD12 ILE 96 9.403 -15.190 1.442 759 H ALA 97 HN ALA 97 10.357 -10.917 1.054 760 HA ALA 97 HA ALA 97 12.304 -9.368 2.416 761 1HB ALA 97 HB1 ALA 97 10.929 -9.100 -0.248 762 2HB ALA 97 HB3 ALA 97 12.024 -7.836 0.314 763 3HB ALA 97 HB2 ALA 97 12.616 -9.481 0.090 764 H ALA 98 HN ALA 98 9.244 -8.154 1.018 765 HA ALA 98 HA ALA 98 9.214 -5.645 2.274 766 1HB ALA 98 HB1 ALA 98 7.324 -7.229 0.882 767 2HB ALA 98 HB3 ALA 98 6.569 -6.796 2.414 768 3HB ALA 98 HB2 ALA 98 7.164 -5.535 1.340 769 H ALA 99 HN ALA 99 7.580 -8.587 3.441 770 HA ALA 99 HA ALA 99 6.866 -7.565 5.938 771 1HB ALA 99 HB1 ALA 99 6.178 -9.794 4.862 772 2HB ALA 99 HB3 ALA 99 7.687 -10.445 5.503 773 3HB ALA 99 HB2 ALA 99 6.458 -9.820 6.603 774 H GLN 100 HN GLN 100 9.993 -8.654 4.768 775 HA GLN 100 HA GLN 100 11.313 -9.284 7.190 776 1HB GLN 100 HB2 GLN 100 12.278 -9.183 4.753 777 2HB GLN 100 HB1 GLN 100 12.620 -7.496 5.136 778 1HG GLN 100 HG2 GLN 100 13.935 -8.170 7.084 779 2HG GLN 100 HG1 GLN 100 13.549 -9.865 6.784 780 1HE2 GLN 100 HE22 GLN 100 15.540 -9.804 3.655 781 2HE2 GLN 100 HE21 GLN 100 13.951 -10.206 4.094 782 H ALA 101 HN ALA 101 10.215 -6.310 5.812 783 HA ALA 101 HA ALA 101 11.333 -4.674 8.015 784 1HB ALA 101 HB3 ALA 101 11.220 -3.907 5.556 785 2HB ALA 101 HB2 ALA 101 9.479 -3.795 5.794 786 3HB ALA 101 HB1 ALA 101 10.561 -2.786 6.748 787 H GLY 102 HN GLY 102 8.512 -6.321 6.951 788 1HA GLY 102 HA2 GLY 102 6.512 -6.805 8.034 789 2HA GLY 102 HA1 GLY 102 7.216 -6.085 9.466 790 H ALA 103 HN ALA 103 5.608 -5.164 6.358 791 HA ALA 103 HA ALA 103 4.995 -2.529 7.595 792 1HB ALA 103 HB2 ALA 103 4.359 -3.846 4.947 793 2HB ALA 103 HB1 ALA 103 3.743 -2.263 5.395 794 3HB ALA 103 HB3 ALA 103 5.449 -2.518 5.234 795 H SER 104 HN SER 104 2.590 -3.470 5.602 796 HA SER 104 HA SER 104 0.700 -3.993 7.842 797 1HB SER 104 HB2 SER 104 -0.918 -3.073 6.558 798 2HB SER 104 HB1 SER 104 0.397 -2.485 5.556 799 HG SER 104 HG SER 104 -1.484 -4.013 4.766 800 H GLY 105 HN GLY 105 1.697 -5.274 4.748 801 1HA GLY 105 HA2 GLY 105 2.010 -7.956 5.334 802 2HA GLY 105 HA1 GLY 105 0.296 -7.797 5.001 803 OH TYR 106 OH TYR 106 1.486 -13.492 -2.898 804 H TYR 106 HN TYR 106 0.837 -9.218 3.102 805 HA TYR 106 HA TYR 106 1.593 -7.503 0.801 806 1HB TYR 106 HB2 TYR 106 3.465 -8.680 0.396 807 2HB TYR 106 HB1 TYR 106 3.103 -9.784 1.718 808 HD1 TYR 106 HD2 TYR 106 1.985 -9.077 -1.860 809 HD2 TYR 106 HD1 TYR 106 2.653 -12.015 1.218 810 HE1 TYR 106 HE2 TYR 106 1.461 -10.899 -3.449 811 HE2 TYR 106 HE1 TYR 106 2.136 -13.815 -0.376 812 HH TYR 106 HH TYR 106 0.747 -13.994 -2.548 813 H VAL 107 HN VAL 107 0.355 -7.811 -0.977 814 HA VAL 107 HA VAL 107 -1.557 -10.117 -0.963 815 HB VAL 107 HB VAL 107 -2.693 -8.048 -0.131 816 1HG1 VAL 107 HG11 VAL 107 -1.154 -6.566 -1.522 817 2HG1 VAL 107 HG13 VAL 107 -2.181 -6.961 -2.902 818 3HG1 VAL 107 HG12 VAL 107 -2.858 -6.109 -1.513 819 1HG2 VAL 107 HG23 VAL 107 -3.498 -9.018 -2.894 820 2HG2 VAL 107 HG22 VAL 107 -4.020 -9.692 -1.355 821 3HG2 VAL 107 HG21 VAL 107 -4.534 -8.074 -1.829 822 H VAL 108 HN VAL 108 -2.148 -10.790 -3.112 823 HA VAL 108 HA VAL 108 -0.123 -9.994 -5.093 824 HB VAL 108 HB VAL 108 -2.312 -12.097 -5.261 825 1HG1 VAL 108 HG13 VAL 108 -0.251 -11.112 -7.142 826 2HG1 VAL 108 HG12 VAL 108 -0.340 -12.865 -6.979 827 3HG1 VAL 108 HG11 VAL 108 -1.766 -11.951 -7.470 828 1HG2 VAL 108 HG23 VAL 108 -0.433 -12.318 -3.493 829 2HG2 VAL 108 HG22 VAL 108 -0.702 -13.681 -4.576 830 3HG2 VAL 108 HG21 VAL 108 0.637 -12.573 -4.871 831 H LYS 109 HN LYS 109 -0.873 -9.431 -7.371 832 HA LYS 109 HA LYS 109 -3.624 -8.247 -7.447 833 1HB LYS 109 HB2 LYS 109 -2.488 -6.533 -9.073 834 2HB LYS 109 HB1 LYS 109 -2.347 -6.294 -7.343 835 1HG LYS 109 HG2 LYS 109 -0.119 -7.168 -7.325 836 2HG LYS 109 HG1 LYS 109 -0.288 -7.787 -8.967 837 1HD LYS 109 HD2 LYS 109 -0.337 -5.589 -9.901 838 2HD LYS 109 HD1 LYS 109 -0.541 -4.846 -8.316 839 1HE LYS 109 HE2 LYS 109 1.684 -5.124 -7.746 840 2HE LYS 109 HE1 LYS 109 1.884 -6.528 -8.792 841 1HZ LYS 109 HZ1 LYS 109 1.233 -4.465 -10.475 842 2HZ LYS 109 HZ3 LYS 109 2.320 -3.777 -9.369 843 3HZ LYS 109 HZ2 LYS 109 2.773 -5.150 -10.262 844 HA PRO 110 HA PRO 110 -4.672 -6.997 -9.241 845 1HB PRO 110 HB2 PRO 110 -6.836 -8.149 -10.716 846 2HB PRO 110 HB1 PRO 110 -5.863 -6.740 -11.158 847 1HG PRO 110 HG2 PRO 110 -5.855 -9.283 -12.442 848 2HG PRO 110 HG1 PRO 110 -4.755 -7.934 -12.754 849 1HD PRO 110 HD2 PRO 110 -4.235 -10.435 -11.308 850 2HD PRO 110 HD1 PRO 110 -3.078 -9.232 -11.912 851 H PHE 111 HN PHE 111 -5.670 -7.172 -7.241 852 HA PHE 111 HA PHE 111 -6.845 -9.778 -6.479 853 1HB PHE 111 HB2 PHE 111 -7.299 -8.458 -4.282 854 2HB PHE 111 HB1 PHE 111 -5.650 -8.913 -4.650 855 HD1 PHE 111 HD2 PHE 111 -8.028 -6.060 -5.408 856 HD2 PHE 111 HD1 PHE 111 -4.062 -7.260 -4.286 857 HE1 PHE 111 HE2 PHE 111 -7.328 -3.699 -5.321 858 HE2 PHE 111 HE1 PHE 111 -3.390 -4.889 -4.161 859 HZ PHE 111 HZ PHE 111 -5.017 -3.104 -4.682 860 H THR 112 HN THR 112 -9.019 -9.713 -5.385 861 HA THR 112 HA THR 112 -10.843 -7.910 -6.910 862 HB THR 112 HB THR 112 -11.665 -10.096 -7.186 863 HG1 THR 112 HG1 THR 112 -13.068 -8.480 -5.955 864 1HG2 THR 112 HG21 THR 112 -10.103 -11.172 -5.595 865 2HG2 THR 112 HG23 THR 112 -11.087 -10.587 -4.256 866 3HG2 THR 112 HG22 THR 112 -11.751 -11.763 -5.387 867 H ALA 113 HN ALA 113 -12.719 -7.101 -5.506 868 HA ALA 113 HA ALA 113 -11.623 -5.664 -3.288 869 1HB ALA 113 HB3 ALA 113 -13.876 -5.350 -4.756 870 2HB ALA 113 HB2 ALA 113 -14.567 -6.119 -3.327 871 3HB ALA 113 HB1 ALA 113 -13.666 -4.612 -3.168 872 H ALA 114 HN ALA 114 -13.491 -8.670 -3.482 873 HA ALA 114 HA ALA 114 -13.784 -8.943 -0.634 874 1HB ALA 114 HB1 ALA 114 -15.113 -10.249 -2.325 875 2HB ALA 114 HB3 ALA 114 -13.650 -11.158 -2.704 876 3HB ALA 114 HB2 ALA 114 -14.363 -11.266 -1.095 877 H THR 115 HN THR 115 -11.183 -9.485 -2.857 878 HA THR 115 HA THR 115 -9.658 -11.160 -1.007 879 HB THR 115 HB THR 115 -8.994 -9.768 -3.599 880 HG1 THR 115 HG1 THR 115 -8.462 -12.265 -3.738 881 1HG2 THR 115 HG23 THR 115 -7.164 -11.283 -1.723 882 2HG2 THR 115 HG22 THR 115 -6.786 -11.010 -3.423 883 3HG2 THR 115 HG21 THR 115 -6.945 -9.642 -2.326 884 H LEU 116 HN LEU 116 -8.831 -7.885 -2.391 885 HA LEU 116 HA LEU 116 -7.033 -7.149 -0.384 886 1HB LEU 116 HB2 LEU 116 -8.065 -5.832 -2.475 887 2HB LEU 116 HB1 LEU 116 -9.042 -5.100 -1.210 888 HG LEU 116 HG LEU 116 -6.931 -4.585 0.053 889 1HD1 LEU 116 HD12 LEU 116 -5.797 -6.125 -2.150 890 2HD1 LEU 116 HD11 LEU 116 -5.032 -4.545 -1.992 891 3HD1 LEU 116 HD13 LEU 116 -5.061 -5.653 -0.621 892 1HD2 LEU 116 HD23 LEU 116 -7.223 -3.440 -2.740 893 2HD2 LEU 116 HD22 LEU 116 -8.012 -2.852 -1.276 894 3HD2 LEU 116 HD21 LEU 116 -6.263 -2.707 -1.454 895 H GLU 117 HN GLU 117 -10.585 -7.140 -0.234 896 HA GLU 117 HA GLU 117 -10.780 -5.750 2.247 897 1HB GLU 117 HB2 GLU 117 -12.718 -6.009 0.803 898 2HB GLU 117 HB1 GLU 117 -12.651 -7.759 0.997 899 1HG GLU 117 HG2 GLU 117 -12.704 -6.340 3.556 900 2HG GLU 117 HG1 GLU 117 -14.133 -6.029 2.569 901 H GLU 118 HN GLU 118 -11.257 -9.257 1.710 902 HA GLU 118 HA GLU 118 -11.341 -10.082 4.354 903 1HB GLU 118 HB2 GLU 118 -10.988 -12.227 3.600 904 2HB GLU 118 HB1 GLU 118 -11.340 -11.446 2.063 905 1HG GLU 118 HG2 GLU 118 -8.789 -11.033 1.912 906 2HG GLU 118 HG1 GLU 118 -8.656 -12.238 3.191 907 H LYS 119 HN LYS 119 -8.504 -9.019 2.578 908 HA LYS 119 HA LYS 119 -6.683 -9.886 4.723 909 1HB LYS 119 HB2 LYS 119 -6.405 -8.619 2.036 910 2HB LYS 119 HB1 LYS 119 -5.137 -8.282 3.217 911 1HG LYS 119 HG2 LYS 119 -4.553 -10.556 3.423 912 2HG LYS 119 HG1 LYS 119 -6.081 -11.103 2.731 913 1HD LYS 119 HD2 LYS 119 -5.433 -10.571 0.544 914 2HD LYS 119 HD1 LYS 119 -4.206 -9.425 1.083 915 1HE LYS 119 HE2 LYS 119 -3.169 -11.505 0.244 916 2HE LYS 119 HE1 LYS 119 -2.847 -11.282 1.964 917 1HZ LYS 119 HZ2 LYS 119 -5.278 -12.723 1.372 918 2HZ LYS 119 HZ1 LYS 119 -3.858 -13.520 0.884 919 3HZ LYS 119 HZ3 LYS 119 -4.059 -13.064 2.505 920 H LEU 120 HN LEU 120 -8.294 -6.966 3.617 921 HA LEU 120 HA LEU 120 -6.840 -5.106 5.257 922 1HB LEU 120 HB2 LEU 120 -8.487 -4.674 3.275 923 2HB LEU 120 HB1 LEU 120 -9.736 -4.754 4.516 924 HG LEU 120 HG LEU 120 -8.074 -3.101 5.777 925 1HD1 LEU 120 HD12 LEU 120 -6.364 -3.175 4.004 926 2HD1 LEU 120 HD11 LEU 120 -7.542 -2.571 2.840 927 3HD1 LEU 120 HD13 LEU 120 -7.020 -1.548 4.177 928 1HD2 LEU 120 HD21 LEU 120 -10.219 -2.617 3.748 929 2HD2 LEU 120 HD23 LEU 120 -10.201 -2.237 5.470 930 3HD2 LEU 120 HD22 LEU 120 -9.316 -1.222 4.332 931 H ASN 121 HN ASN 121 -10.021 -6.678 5.724 932 HA ASN 121 HA ASN 121 -10.601 -5.662 8.278 933 1HB ASN 121 HB2 ASN 121 -12.098 -7.110 6.838 934 2HB ASN 121 HB1 ASN 121 -11.166 -8.500 7.393 935 1HD2 ASN 121 HD22 ASN 121 -13.101 -6.477 10.404 936 2HD2 ASN 121 HD21 ASN 121 -12.213 -5.601 9.253 937 H LYS 122 HN LYS 122 -9.135 -8.846 7.628 938 HA LYS 122 HA LYS 122 -8.431 -9.481 10.269 939 1HB LYS 122 HB2 LYS 122 -8.214 -10.908 8.126 940 2HB LYS 122 HB1 LYS 122 -6.632 -10.149 7.941 941 1HG LYS 122 HG2 LYS 122 -5.961 -11.918 9.234 942 2HG LYS 122 HG1 LYS 122 -6.485 -10.859 10.545 943 1HD LYS 122 HD2 LYS 122 -8.786 -11.913 10.332 944 2HD LYS 122 HD1 LYS 122 -8.054 -13.102 9.254 945 1HE LYS 122 HE2 LYS 122 -7.576 -14.277 11.128 946 2HE LYS 122 HE1 LYS 122 -6.316 -13.074 11.408 947 1HZ LYS 122 HZ1 LYS 122 -9.098 -12.617 12.291 948 2HZ LYS 122 HZ3 LYS 122 -8.003 -13.484 13.255 949 3HZ LYS 122 HZ2 LYS 122 -7.673 -11.870 12.838 950 H ILE 123 HN ILE 123 -6.870 -7.243 8.057 951 HA ILE 123 HA ILE 123 -4.419 -7.058 9.623 952 HB ILE 123 HB ILE 123 -5.600 -5.529 7.322 953 1HG1 ILE 123 HG12 ILE 123 -2.859 -6.758 7.709 954 2HG1 ILE 123 HG11 ILE 123 -4.239 -7.676 7.109 955 1HG2 ILE 123 HG22 ILE 123 -3.398 -4.642 9.183 956 2HG2 ILE 123 HG21 ILE 123 -3.385 -4.171 7.484 957 3HG2 ILE 123 HG23 ILE 123 -4.730 -3.694 8.520 958 1HD1 ILE 123 HD13 ILE 123 -3.431 -5.068 5.829 959 2HD1 ILE 123 HD12 ILE 123 -2.671 -6.589 5.360 960 3HD1 ILE 123 HD11 ILE 123 -4.408 -6.368 5.149 961 H PHE 124 HN PHE 124 -7.366 -5.053 9.320 962 HA PHE 124 HA PHE 124 -6.449 -3.051 11.152 963 1HB PHE 124 HB2 PHE 124 -9.097 -3.811 9.991 964 2HB PHE 124 HB1 PHE 124 -9.075 -2.739 11.390 965 HD1 PHE 124 HD1 PHE 124 -7.157 -0.834 11.237 966 HD2 PHE 124 HD2 PHE 124 -9.010 -2.796 7.892 967 HE1 PHE 124 HE1 PHE 124 -6.499 1.052 9.765 968 HE2 PHE 124 HE2 PHE 124 -8.353 -0.900 6.431 969 HZ PHE 124 HZ PHE 124 -7.104 1.002 7.364 970 H GLU 125 HN GLU 125 -7.196 -6.258 11.714 971 HA GLU 125 HA GLU 125 -8.526 -5.996 14.276 972 1HB GLU 125 HB2 GLU 125 -8.347 -8.102 12.763 973 2HB GLU 125 HB1 GLU 125 -6.757 -8.317 13.497 974 1HG GLU 125 HG2 GLU 125 -8.226 -9.582 14.867 975 2HG GLU 125 HG1 GLU 125 -7.959 -8.084 15.760 976 H LYS 126 HN LYS 126 -5.262 -5.767 13.140 977 HA LYS 126 HA LYS 126 -4.168 -5.875 15.896 978 1HB LYS 126 HB2 LYS 126 -2.807 -5.548 13.200 979 2HB LYS 126 HB1 LYS 126 -1.968 -5.667 14.747 980 1HG LYS 126 HG2 LYS 126 -2.902 -7.900 15.116 981 2HG LYS 126 HG1 LYS 126 -3.820 -7.784 13.614 982 1HD LYS 126 HD2 LYS 126 -1.641 -7.488 12.389 983 2HD LYS 126 HD1 LYS 126 -0.805 -7.829 13.905 984 1HE LYS 126 HE2 LYS 126 -2.182 -9.991 13.998 985 2HE LYS 126 HE1 LYS 126 -2.601 -9.669 12.315 986 1HZ LYS 126 HZ2 LYS 126 0.183 -9.808 13.335 987 2HZ LYS 126 HZ1 LYS 126 -0.627 -11.113 12.611 988 3HZ LYS 126 HZ3 LYS 126 -0.312 -9.710 11.713 989 H LEU 127 HN LEU 127 -5.066 -3.651 13.381 990 HA LEU 127 HA LEU 127 -3.689 -1.398 14.729 991 1HB LEU 127 HB2 LEU 127 -4.581 -1.961 12.030 992 2HB LEU 127 HB1 LEU 127 -5.291 -0.448 12.590 993 HG LEU 127 HG LEU 127 -3.096 -0.090 11.492 994 1HD1 LEU 127 HD13 LEU 127 -3.958 0.886 13.995 995 2HD1 LEU 127 HD12 LEU 127 -2.229 0.585 14.164 996 3HD1 LEU 127 HD11 LEU 127 -2.818 1.650 12.888 997 1HD2 LEU 127 HD21 LEU 127 -2.384 -2.417 12.865 998 2HD2 LEU 127 HD23 LEU 127 -1.293 -1.372 11.954 999 3HD2 LEU 127 HD22 LEU 127 -1.491 -1.139 13.691 1000 H GLY 128 HN GLY 128 -6.719 -2.971 14.693 1001 1HA GLY 128 HA2 GLY 128 -8.838 -2.349 15.515 1002 2HA GLY 128 HA1 GLY 128 -7.893 -1.514 16.747 1003 H MET 129 HN MET 129 -9.506 -1.128 13.635 1004 HA MET 129 HA MET 129 -9.022 1.794 13.693 1005 1HB MET 129 HB2 MET 129 -9.462 -0.122 11.643 1006 2HB MET 129 HB1 MET 129 -10.838 0.980 11.616 1007 1HG MET 129 HG2 MET 129 -7.921 1.816 11.581 1008 2HG MET 129 HG1 MET 129 -9.001 1.815 10.186 1009 1HE MET 129 HE2 MET 129 -7.486 3.906 10.552 1010 2HE MET 129 HE1 MET 129 -8.383 5.412 10.729 1011 3HE MET 129 HE3 MET 129 -7.493 4.742 12.103 Start of MODEL 32 Raw file had 1011 H/Q atoms Start of MODEL 32 1 H ALA 2 HN ALA 2 -14.503 -1.072 9.564 2 HA ALA 2 HA ALA 2 -12.732 0.358 10.141 3 1HB ALA 2 HB1 ALA 2 -11.871 -1.097 8.066 4 2HB ALA 2 HB3 ALA 2 -11.849 0.487 7.290 5 3HB ALA 2 HB2 ALA 2 -10.897 0.206 8.748 6 H ASP 3 HN ASP 3 -11.729 2.568 9.542 7 HA ASP 3 HA ASP 3 -13.653 4.570 9.410 8 1HB ASP 3 HB2 ASP 3 -10.753 4.413 9.027 9 2HB ASP 3 HB1 ASP 3 -11.490 5.719 8.095 10 H LYS 4 HN LYS 4 -14.595 5.796 7.714 11 HA LYS 4 HA LYS 4 -14.669 4.402 5.110 12 1HB LYS 4 HB2 LYS 4 -16.243 6.777 6.131 13 2HB LYS 4 HB1 LYS 4 -16.506 5.977 4.586 14 1HG LYS 4 HG2 LYS 4 -16.485 4.253 7.019 15 2HG LYS 4 HG1 LYS 4 -17.889 5.294 6.781 16 1HD LYS 4 HD2 LYS 4 -18.509 4.239 4.800 17 2HD LYS 4 HD1 LYS 4 -16.871 3.675 4.468 18 1HE LYS 4 HE2 LYS 4 -18.604 1.925 5.263 19 2HE LYS 4 HE1 LYS 4 -17.023 1.928 6.044 20 1HZ LYS 4 HZ1 LYS 4 -18.202 3.592 7.643 21 2HZ LYS 4 HZ3 LYS 4 -19.613 2.834 7.083 22 3HZ LYS 4 HZ2 LYS 4 -18.403 1.917 7.846 23 H GLU 5 HN GLU 5 -12.426 6.344 6.237 24 HA GLU 5 HA GLU 5 -11.978 7.603 3.612 25 1HB GLU 5 HB2 GLU 5 -11.769 9.874 4.522 26 2HB GLU 5 HB1 GLU 5 -13.398 9.249 4.786 27 1HG GLU 5 HG2 GLU 5 -12.343 8.409 7.071 28 2HG GLU 5 HG1 GLU 5 -11.202 9.719 6.767 29 H LEU 6 HN LEU 6 -10.423 5.616 4.878 30 HA LEU 6 HA LEU 6 -8.253 6.806 6.336 31 1HB LEU 6 HB2 LEU 6 -8.844 4.421 6.532 32 2HB LEU 6 HB1 LEU 6 -8.434 4.175 4.839 33 HG LEU 6 HG LEU 6 -6.096 4.746 5.279 34 1HD1 LEU 6 HD12 LEU 6 -7.234 5.451 7.965 35 2HD1 LEU 6 HD11 LEU 6 -5.570 4.877 7.863 36 3HD1 LEU 6 HD13 LEU 6 -6.057 6.331 6.991 37 1HD2 LEU 6 HD21 LEU 6 -7.448 2.677 6.975 38 2HD2 LEU 6 HD23 LEU 6 -6.366 2.458 5.600 39 3HD2 LEU 6 HD22 LEU 6 -5.722 2.956 7.168 40 H LYS 7 HN LYS 7 -6.939 8.272 5.326 41 HA LYS 7 HA LYS 7 -6.795 8.819 2.609 42 1HB LYS 7 HB2 LYS 7 -5.026 9.342 4.918 43 2HB LYS 7 HB1 LYS 7 -4.254 9.429 3.340 44 1HG LYS 7 HG2 LYS 7 -5.676 11.138 2.582 45 2HG LYS 7 HG1 LYS 7 -6.886 10.804 3.821 46 1HD LYS 7 HD2 LYS 7 -5.765 11.990 5.434 47 2HD LYS 7 HD1 LYS 7 -4.179 11.573 4.786 48 1HE LYS 7 HE2 LYS 7 -4.440 13.170 2.974 49 2HE LYS 7 HE1 LYS 7 -6.101 13.508 3.461 50 1HZ LYS 7 HZ3 LYS 7 -4.149 13.828 5.563 51 2HZ LYS 7 HZ2 LYS 7 -3.956 14.910 4.267 52 3HZ LYS 7 HZ1 LYS 7 -5.431 14.842 5.107 53 H PHE 8 HN PHE 8 -6.232 7.588 0.920 54 HA PHE 8 HA PHE 8 -4.221 5.452 1.332 55 1HB PHE 8 HB2 PHE 8 -6.539 5.731 -0.557 56 2HB PHE 8 HB1 PHE 8 -5.211 4.650 -0.938 57 HD1 PHE 8 HD2 PHE 8 -4.721 2.690 0.520 58 HD2 PHE 8 HD1 PHE 8 -8.103 5.238 1.196 59 HE1 PHE 8 HE2 PHE 8 -5.732 0.975 2.007 60 HE2 PHE 8 HE1 PHE 8 -9.079 3.531 2.698 61 HZ PHE 8 HZ PHE 8 -7.893 1.398 3.108 62 H LEU 9 HN LEU 9 -2.654 5.095 -0.321 63 HA LEU 9 HA LEU 9 -2.304 7.327 -2.285 64 1HB LEU 9 HB2 LEU 9 -0.804 7.661 -0.262 65 2HB LEU 9 HB1 LEU 9 -0.048 6.139 -0.691 66 HG LEU 9 HG LEU 9 0.193 7.248 -3.074 67 1HD1 LEU 9 HD13 LEU 9 -1.089 9.286 -1.872 68 2HD1 LEU 9 HD12 LEU 9 0.577 9.747 -1.536 69 3HD1 LEU 9 HD11 LEU 9 0.043 9.515 -3.200 70 1HD2 LEU 9 HD22 LEU 9 2.046 6.545 -1.545 71 2HD2 LEU 9 HD21 LEU 9 2.412 8.011 -2.450 72 3HD2 LEU 9 HD23 LEU 9 1.938 8.119 -0.758 73 H VAL 10 HN VAL 10 -2.719 6.091 -4.117 74 HA VAL 10 HA VAL 10 -1.532 3.401 -4.299 75 HB VAL 10 HB VAL 10 -2.780 3.371 -6.496 76 1HG1 VAL 10 HG12 VAL 10 -3.889 3.606 -3.770 77 2HG1 VAL 10 HG11 VAL 10 -5.072 3.818 -5.060 78 3HG1 VAL 10 HG13 VAL 10 -4.123 2.334 -4.968 79 1HG2 VAL 10 HG22 VAL 10 -2.882 6.146 -6.019 80 2HG2 VAL 10 HG21 VAL 10 -3.667 5.270 -7.326 81 3HG2 VAL 10 HG23 VAL 10 -4.529 5.565 -5.817 82 H VAL 11 HN VAL 11 0.623 3.516 -4.706 83 HA VAL 11 HA VAL 11 1.645 5.449 -6.668 84 HB VAL 11 HB VAL 11 3.146 3.554 -4.851 85 1HG1 VAL 11 HG12 VAL 11 3.956 5.485 -6.921 86 2HG1 VAL 11 HG11 VAL 11 4.814 5.640 -5.387 87 3HG1 VAL 11 HG13 VAL 11 4.832 4.108 -6.256 88 1HG2 VAL 11 HG21 VAL 11 1.762 6.019 -4.301 89 2HG2 VAL 11 HG23 VAL 11 2.638 4.975 -3.185 90 3HG2 VAL 11 HG22 VAL 11 3.495 6.242 -4.061 91 H ASP 12 HN ASP 12 1.554 4.676 -8.758 92 HA ASP 12 HA ASP 12 2.995 2.269 -9.464 93 1HB ASP 12 HB2 ASP 12 0.619 1.459 -10.559 94 2HB ASP 12 HB1 ASP 12 1.282 0.824 -9.055 95 H ASP 13 HN ASP 13 3.008 1.937 -11.815 96 HA ASP 13 HA ASP 13 2.477 4.482 -13.259 97 1HB ASP 13 HB2 ASP 13 4.724 3.681 -13.548 98 2HB ASP 13 HB1 ASP 13 4.159 2.049 -13.908 99 H PHE 14 HN PHE 14 2.685 1.556 -15.079 100 HA PHE 14 HA PHE 14 1.141 0.661 -16.617 101 1HB PHE 14 HB2 PHE 14 0.288 0.260 -13.938 102 2HB PHE 14 HB1 PHE 14 -1.156 0.633 -14.875 103 HD1 PHE 14 HD2 PHE 14 -0.839 -0.496 -17.449 104 HD2 PHE 14 HD1 PHE 14 0.601 -2.041 -13.706 105 HE1 PHE 14 HE2 PHE 14 -0.815 -2.783 -18.401 106 HE2 PHE 14 HE1 PHE 14 0.625 -4.327 -14.661 107 HZ PHE 14 HZ PHE 14 -0.083 -4.700 -17.008 108 H SER 15 HN SER 15 -1.634 0.980 -16.835 109 HA SER 15 HA SER 15 -2.077 3.908 -17.104 110 1HB SER 15 HB2 SER 15 -3.042 2.282 -19.375 111 2HB SER 15 HB1 SER 15 -2.305 3.881 -19.373 112 HG SER 15 HG SER 15 -0.957 1.407 -18.987 113 H THR 16 HN THR 16 -3.077 1.276 -15.665 114 HA THR 16 HA THR 16 -5.891 2.135 -15.624 115 HB THR 16 HB THR 16 -6.227 0.593 -17.355 116 HG1 THR 16 HG1 THR 16 -6.993 -0.074 -14.976 117 1HG2 THR 16 HG21 THR 16 -4.011 -0.981 -16.038 118 2HG2 THR 16 HG23 THR 16 -5.040 -1.682 -17.288 119 3HG2 THR 16 HG22 THR 16 -4.038 -0.277 -17.656 120 H MET 17 HN MET 17 -3.142 0.898 -14.174 121 HA MET 17 HA MET 17 -4.276 -0.752 -12.108 122 1HB MET 17 HB2 MET 17 -1.860 -0.738 -12.677 123 2HB MET 17 HB1 MET 17 -1.737 0.908 -12.054 124 1HG MET 17 HG2 MET 17 -2.252 0.206 -9.829 125 2HG MET 17 HG1 MET 17 -2.767 -1.388 -10.377 126 1HE MET 17 HE3 MET 17 -1.565 -1.826 -8.373 127 2HE MET 17 HE2 MET 17 -0.025 -2.671 -8.503 128 3HE MET 17 HE1 MET 17 -0.056 -0.987 -7.990 129 NH1 ARG 18 NH2 ARG 18 -3.868 7.216 -13.881 130 NH2 ARG 18 NH1 ARG 18 -3.920 5.431 -15.267 131 H ARG 18 HN ARG 18 -2.905 2.535 -11.749 132 HA ARG 18 HA ARG 18 -3.897 3.153 -9.236 133 1HB ARG 18 HB2 ARG 18 -4.216 5.337 -11.211 134 2HB ARG 18 HB1 ARG 18 -3.316 5.308 -9.698 135 1HG ARG 18 HG2 ARG 18 -1.602 5.412 -11.291 136 2HG ARG 18 HG1 ARG 18 -1.708 3.682 -10.972 137 1HD ARG 18 HD2 ARG 18 -1.869 3.531 -13.243 138 2HD ARG 18 HD1 ARG 18 -3.558 3.939 -12.961 139 HE ARG 18 HE ARG 18 -1.491 5.983 -13.664 140 1HH1 ARG 18 HH21 ARG 18 -3.459 7.699 -13.108 141 2HH1 ARG 18 HH22 ARG 18 -4.649 7.612 -14.363 142 1HH2 ARG 18 HH11 ARG 18 -3.551 4.547 -15.556 143 2HH2 ARG 18 HH12 ARG 18 -4.701 5.828 -15.750 144 NH1 ARG 19 NH1 ARG 19 -11.864 2.971 -16.724 145 NH2 ARG 19 NH2 ARG 19 -13.590 2.853 -15.270 146 H ARG 19 HN ARG 19 -5.672 3.190 -12.300 147 HA ARG 19 HA ARG 19 -8.043 4.419 -11.202 148 1HB ARG 19 HB2 ARG 19 -7.403 4.222 -13.677 149 2HB ARG 19 HB1 ARG 19 -7.974 2.555 -13.581 150 1HG ARG 19 HG2 ARG 19 -10.027 3.951 -12.378 151 2HG ARG 19 HG1 ARG 19 -9.514 5.056 -13.654 152 1HD ARG 19 HD2 ARG 19 -9.673 3.181 -15.291 153 2HD ARG 19 HD1 ARG 19 -10.289 2.144 -14.005 154 HE ARG 19 HE ARG 19 -11.941 4.428 -14.049 155 1HH1 ARG 19 HH11 ARG 19 -10.916 3.217 -16.925 156 2HH1 ARG 19 HH12 ARG 19 -12.439 2.574 -17.438 157 1HH2 ARG 19 HH21 ARG 19 -13.964 3.006 -14.355 158 2HH2 ARG 19 HH22 ARG 19 -14.165 2.455 -15.985 159 H ILE 20 HN ILE 20 -7.025 1.054 -11.718 160 HA ILE 20 HA ILE 20 -9.428 -0.245 -11.002 161 HB ILE 20 HB ILE 20 -6.539 -0.952 -10.997 162 1HG1 ILE 20 HG12 ILE 20 -8.960 -2.540 -11.872 163 2HG1 ILE 20 HG11 ILE 20 -8.231 -1.286 -12.877 164 1HG2 ILE 20 HG22 ILE 20 -8.602 -2.422 -9.338 165 2HG2 ILE 20 HG21 ILE 20 -7.154 -3.207 -9.960 166 3HG2 ILE 20 HG23 ILE 20 -7.005 -1.860 -8.835 167 1HD1 ILE 20 HD13 ILE 20 -6.648 -3.595 -11.729 168 2HD1 ILE 20 HD12 ILE 20 -7.401 -3.649 -13.323 169 3HD1 ILE 20 HD11 ILE 20 -6.143 -2.461 -12.981 170 H VAL 21 HN VAL 21 -6.689 0.627 -8.866 171 HA VAL 21 HA VAL 21 -7.976 -0.196 -6.465 172 HB VAL 21 HB VAL 21 -6.273 1.960 -5.816 173 1HG1 VAL 21 HG13 VAL 21 -5.849 -1.039 -5.961 174 2HG1 VAL 21 HG12 VAL 21 -4.767 0.075 -5.125 175 3HG1 VAL 21 HG11 VAL 21 -6.429 -0.123 -4.570 176 1HG2 VAL 21 HG23 VAL 21 -5.587 1.905 -8.218 177 2HG2 VAL 21 HG22 VAL 21 -4.270 1.462 -7.132 178 3HG2 VAL 21 HG21 VAL 21 -5.139 0.211 -8.022 179 NH1 ARG 22 NH2 ARG 22 -10.754 7.062 -10.759 180 NH2 ARG 22 NH1 ARG 22 -9.152 7.142 -12.352 181 H ARG 22 HN ARG 22 -7.812 3.023 -8.010 182 HA ARG 22 HA ARG 22 -9.103 4.586 -6.107 183 1HB ARG 22 HB2 ARG 22 -8.845 4.627 -9.020 184 2HB ARG 22 HB1 ARG 22 -10.348 5.363 -8.472 185 1HG ARG 22 HG2 ARG 22 -9.033 6.768 -6.874 186 2HG ARG 22 HG1 ARG 22 -7.550 6.092 -7.551 187 1HD ARG 22 HD2 ARG 22 -9.529 7.966 -8.806 188 2HD ARG 22 HD1 ARG 22 -7.767 8.041 -8.806 189 HE ARG 22 HE ARG 22 -7.893 6.037 -10.401 190 1HH1 ARG 22 HH21 ARG 22 -11.022 6.926 -9.805 191 2HH1 ARG 22 HH22 ARG 22 -11.449 7.269 -11.448 192 1HH2 ARG 22 HH11 ARG 22 -8.191 7.068 -12.618 193 2HH2 ARG 22 HH12 ARG 22 -9.848 7.350 -13.039 194 H ASN 23 HN ASN 23 -10.735 2.673 -8.643 195 HA ASN 23 HA ASN 23 -13.393 3.109 -7.696 196 1HB ASN 23 HB2 ASN 23 -12.131 1.902 -9.840 197 2HB ASN 23 HB1 ASN 23 -12.846 0.557 -8.993 198 1HD2 ASN 23 HD22 ASN 23 -15.341 3.417 -10.581 199 2HD2 ASN 23 HD21 ASN 23 -13.727 3.816 -10.238 200 H LEU 24 HN LEU 24 -11.298 0.266 -7.520 201 HA LEU 24 HA LEU 24 -12.715 -1.484 -5.960 202 1HB LEU 24 HB2 LEU 24 -10.276 -1.591 -6.827 203 2HB LEU 24 HB1 LEU 24 -9.858 -0.815 -5.313 204 HG LEU 24 HG LEU 24 -11.586 -3.009 -4.692 205 1HD1 LEU 24 HD11 LEU 24 -9.316 -3.714 -6.573 206 2HD1 LEU 24 HD13 LEU 24 -10.237 -4.882 -5.626 207 3HD1 LEU 24 HD12 LEU 24 -11.037 -3.939 -6.883 208 1HD2 LEU 24 HD22 LEU 24 -8.718 -2.282 -4.176 209 2HD2 LEU 24 HD21 LEU 24 -10.021 -2.591 -3.034 210 3HD2 LEU 24 HD23 LEU 24 -9.229 -3.934 -3.852 211 H LEU 25 HN LEU 25 -10.519 0.954 -4.527 212 HA LEU 25 HA LEU 25 -11.285 0.618 -1.837 213 1HB LEU 25 HB2 LEU 25 -10.195 2.918 -3.425 214 2HB LEU 25 HB1 LEU 25 -10.705 3.190 -1.764 215 HG LEU 25 HG LEU 25 -8.961 0.829 -2.349 216 1HD1 LEU 25 HD13 LEU 25 -8.064 3.718 -2.240 217 2HD1 LEU 25 HD12 LEU 25 -6.976 2.362 -1.943 218 3HD1 LEU 25 HD11 LEU 25 -7.754 2.542 -3.516 219 1HD2 LEU 25 HD23 LEU 25 -9.208 2.797 -0.051 220 2HD2 LEU 25 HD22 LEU 25 -9.847 1.156 -0.084 221 3HD2 LEU 25 HD21 LEU 25 -8.105 1.423 -0.082 222 H LYS 26 HN LYS 26 -12.663 2.855 -4.266 223 HA LYS 26 HA LYS 26 -14.597 4.029 -2.604 224 1HB LYS 26 HB2 LYS 26 -14.190 3.714 -5.501 225 2HB LYS 26 HB1 LYS 26 -15.880 3.900 -5.031 226 1HG LYS 26 HG2 LYS 26 -15.417 5.968 -3.888 227 2HG LYS 26 HG1 LYS 26 -13.677 5.740 -4.065 228 1HD LYS 26 HD2 LYS 26 -13.896 5.903 -6.514 229 2HD LYS 26 HD1 LYS 26 -15.639 6.119 -6.348 230 1HE LYS 26 HE2 LYS 26 -15.324 8.199 -5.140 231 2HE LYS 26 HE1 LYS 26 -13.579 7.956 -5.096 232 1HZ LYS 26 HZ3 LYS 26 -15.014 8.036 -7.669 233 2HZ LYS 26 HZ2 LYS 26 -14.569 9.478 -6.890 234 3HZ LYS 26 HZ1 LYS 26 -13.380 8.355 -7.349 235 H GLU 27 HN GLU 27 -14.786 1.034 -4.520 236 HA GLU 27 HA GLU 27 -17.480 0.408 -4.061 237 1HB GLU 27 HB2 GLU 27 -15.147 -1.522 -4.175 238 2HB GLU 27 HB1 GLU 27 -16.836 -1.913 -4.477 239 1HG GLU 27 HG2 GLU 27 -16.450 0.194 -6.189 240 2HG GLU 27 HG1 GLU 27 -14.876 -0.602 -6.238 241 H LEU 28 HN LEU 28 -14.693 0.164 -1.960 242 HA LEU 28 HA LEU 28 -16.000 -1.485 0.045 243 1HB LEU 28 HB2 LEU 28 -13.393 -0.273 -0.374 244 2HB LEU 28 HB1 LEU 28 -13.939 -0.042 1.286 245 HG LEU 28 HG LEU 28 -14.406 -2.477 1.449 246 1HD1 LEU 28 HD13 LEU 28 -14.001 -2.288 -1.408 247 2HD1 LEU 28 HD12 LEU 28 -12.889 -3.470 -0.717 248 3HD1 LEU 28 HD11 LEU 28 -14.627 -3.641 -0.467 249 1HD2 LEU 28 HD22 LEU 28 -11.663 -1.465 0.724 250 2HD2 LEU 28 HD21 LEU 28 -12.291 -1.917 2.308 251 3HD2 LEU 28 HD23 LEU 28 -11.901 -3.164 1.126 252 H GLY 29 HN GLY 29 -14.895 1.899 0.187 253 1HA GLY 29 HA2 GLY 29 -17.132 3.279 0.857 254 2HA GLY 29 HA1 GLY 29 -16.740 2.453 2.359 255 H PHE 30 HN PHE 30 -14.349 3.587 0.039 256 HA PHE 30 HA PHE 30 -13.371 5.526 2.106 257 1HB PHE 30 HB2 PHE 30 -11.890 3.793 0.114 258 2HB PHE 30 HB1 PHE 30 -11.141 5.194 0.863 259 HD1 PHE 30 HD1 PHE 30 -11.426 5.338 3.463 260 HD2 PHE 30 HD2 PHE 30 -11.739 1.722 1.175 261 HE1 PHE 30 HE1 PHE 30 -10.893 4.013 5.493 262 HE2 PHE 30 HE2 PHE 30 -11.225 0.391 3.208 263 HZ PHE 30 HZ PHE 30 -10.801 1.538 5.367 264 H ASN 31 HN ASN 31 -12.999 7.639 1.440 265 HA ASN 31 HA ASN 31 -13.230 8.266 -1.459 266 1HB ASN 31 HB2 ASN 31 -14.553 10.349 -0.442 267 2HB ASN 31 HB1 ASN 31 -15.380 8.857 -0.868 268 1HD2 ASN 31 HD21 ASN 31 -16.926 8.590 0.771 269 2HD2 ASN 31 HD22 ASN 31 -16.579 8.634 2.432 270 H ASN 32 HN ASN 32 -10.770 8.280 -0.683 271 HA ASN 32 HA ASN 32 -9.877 10.995 -0.738 272 1HB ASN 32 HB2 ASN 32 -10.681 10.385 1.806 273 2HB ASN 32 HB1 ASN 32 -8.995 9.884 1.870 274 1HD2 ASN 32 HD22 ASN 32 -7.822 13.186 2.062 275 2HD2 ASN 32 HD21 ASN 32 -7.520 11.532 2.290 276 H VAL 33 HN VAL 33 -8.468 10.182 -2.339 277 HA VAL 33 HA VAL 33 -6.159 8.660 -1.289 278 HB VAL 33 HB VAL 33 -7.758 6.957 -2.095 279 1HG1 VAL 33 HG12 VAL 33 -8.834 8.549 -3.749 280 2HG1 VAL 33 HG11 VAL 33 -7.455 8.254 -4.810 281 3HG1 VAL 33 HG13 VAL 33 -8.526 6.925 -4.366 282 1HG2 VAL 33 HG23 VAL 33 -5.066 7.253 -2.887 283 2HG2 VAL 33 HG22 VAL 33 -5.998 5.759 -2.845 284 3HG2 VAL 33 HG21 VAL 33 -5.927 6.713 -4.325 285 H GLU 34 HN GLU 34 -4.222 9.004 -2.511 286 HA GLU 34 HA GLU 34 -4.487 10.938 -4.790 287 1HB GLU 34 HB2 GLU 34 -2.642 10.844 -2.461 288 2HB GLU 34 HB1 GLU 34 -1.995 11.429 -3.987 289 1HG GLU 34 HG2 GLU 34 -4.561 12.480 -2.776 290 2HG GLU 34 HG1 GLU 34 -2.988 13.214 -2.465 291 H GLU 35 HN GLU 35 -1.839 10.720 -5.676 292 HA GLU 35 HA GLU 35 -1.338 7.841 -6.079 293 1HB GLU 35 HB2 GLU 35 -1.492 9.467 -8.580 294 2HB GLU 35 HB1 GLU 35 -1.761 7.743 -8.349 295 1HG GLU 35 HG2 GLU 35 -3.918 8.216 -7.254 296 2HG GLU 35 HG1 GLU 35 -3.652 9.947 -7.463 297 H ALA 36 HN ALA 36 0.682 7.421 -7.164 298 HA ALA 36 HA ALA 36 2.511 9.736 -7.470 299 1HB ALA 36 HB1 ALA 36 2.517 8.042 -5.175 300 2HB ALA 36 HB3 ALA 36 3.958 7.674 -6.118 301 3HB ALA 36 HB2 ALA 36 3.656 9.323 -5.579 302 H GLU 37 HN GLU 37 4.842 8.392 -8.026 303 HA GLU 37 HA GLU 37 4.029 6.516 -10.222 304 1HB GLU 37 HB2 GLU 37 6.449 7.596 -11.021 305 2HB GLU 37 HB1 GLU 37 4.861 8.076 -11.614 306 1HG GLU 37 HG2 GLU 37 6.090 9.284 -9.130 307 2HG GLU 37 HG1 GLU 37 6.343 9.963 -10.736 308 H ASP 38 HN ASP 38 5.906 6.809 -7.377 309 HA ASP 38 HA ASP 38 6.874 4.132 -7.622 310 1HB ASP 38 HB2 ASP 38 9.409 5.194 -7.560 311 2HB ASP 38 HB1 ASP 38 8.654 4.474 -8.980 312 H GLY 39 HN GLY 39 8.605 3.696 -5.870 313 1HA GLY 39 HA2 GLY 39 7.613 4.554 -3.373 314 2HA GLY 39 HA1 GLY 39 9.194 3.813 -3.605 315 H VAL 40 HN VAL 40 10.460 5.754 -5.189 316 HA VAL 40 HA VAL 40 11.338 7.626 -3.250 317 HB VAL 40 HB VAL 40 12.641 7.077 -5.281 318 1HG1 VAL 40 HG12 VAL 40 10.587 7.051 -6.769 319 2HG1 VAL 40 HG11 VAL 40 10.653 8.812 -6.766 320 3HG1 VAL 40 HG13 VAL 40 11.987 7.880 -7.447 321 1HG2 VAL 40 HG21 VAL 40 12.284 9.617 -4.103 322 2HG2 VAL 40 HG23 VAL 40 13.682 9.062 -5.026 323 3HG2 VAL 40 HG22 VAL 40 12.363 9.905 -5.841 324 H ASP 41 HN ASP 41 8.849 7.885 -5.757 325 HA ASP 41 HA ASP 41 8.276 10.668 -5.359 326 1HB ASP 41 HB2 ASP 41 7.464 9.106 -7.246 327 2HB ASP 41 HB1 ASP 41 6.218 8.594 -6.115 328 H ALA 42 HN ALA 42 6.740 7.717 -4.053 329 HA ALA 42 HA ALA 42 4.863 8.957 -2.355 330 1HB ALA 42 HB2 ALA 42 6.124 6.342 -2.569 331 2HB ALA 42 HB1 ALA 42 5.879 6.790 -0.881 332 3HB ALA 42 HB3 ALA 42 4.509 6.754 -1.992 333 H LEU 43 HN LEU 43 8.264 8.087 -1.663 334 HA LEU 43 HA LEU 43 8.504 8.960 0.965 335 1HB LEU 43 HB2 LEU 43 10.331 8.016 -0.563 336 2HB LEU 43 HB1 LEU 43 10.549 9.664 -1.147 337 HG LEU 43 HG LEU 43 10.571 10.099 1.533 338 1HD1 LEU 43 HD11 LEU 43 10.398 7.665 1.996 339 2HD1 LEU 43 HD13 LEU 43 11.890 7.401 1.094 340 3HD1 LEU 43 HD12 LEU 43 11.917 8.337 2.589 341 1HD2 LEU 43 HD22 LEU 43 12.831 9.360 -0.343 342 2HD2 LEU 43 HD21 LEU 43 12.267 10.975 0.086 343 3HD2 LEU 43 HD23 LEU 43 13.112 9.991 1.280 344 H ASN 44 HN ASN 44 8.629 10.981 -1.971 345 HA ASN 44 HA ASN 44 8.932 13.435 -0.416 346 1HB ASN 44 HB2 ASN 44 8.701 12.710 -3.296 347 2HB ASN 44 HB1 ASN 44 8.241 14.350 -2.840 348 1HD2 ASN 44 HD22 ASN 44 12.113 13.539 -3.206 349 2HD2 ASN 44 HD21 ASN 44 10.866 12.614 -3.891 350 H LYS 45 HN LYS 45 6.259 11.637 -1.823 351 HA LYS 45 HA LYS 45 4.386 13.867 -1.338 352 1HB LYS 45 HB2 LYS 45 4.410 11.890 -3.211 353 2HB LYS 45 HB1 LYS 45 3.310 11.196 -2.019 354 1HG LYS 45 HG2 LYS 45 2.132 13.484 -2.023 355 2HG LYS 45 HG1 LYS 45 3.048 13.820 -3.494 356 1HD LYS 45 HD2 LYS 45 2.125 11.445 -4.221 357 2HD LYS 45 HD1 LYS 45 0.875 11.811 -3.032 358 1HE LYS 45 HE2 LYS 45 -0.052 12.758 -4.943 359 2HE LYS 45 HE1 LYS 45 0.808 14.143 -4.269 360 1HZ LYS 45 HZ2 LYS 45 2.429 12.465 -5.958 361 2HZ LYS 45 HZ1 LYS 45 1.125 13.192 -6.772 362 3HZ LYS 45 HZ3 LYS 45 2.254 14.156 -5.950 363 H LEU 46 HN LEU 46 5.669 11.294 0.466 364 HA LEU 46 HA LEU 46 3.318 10.632 2.021 365 1HB LEU 46 HB2 LEU 46 6.095 9.843 1.937 366 2HB LEU 46 HB1 LEU 46 5.647 10.221 3.597 367 HG LEU 46 HG LEU 46 5.241 7.834 3.054 368 1HD1 LEU 46 HD11 LEU 46 3.426 9.672 4.221 369 2HD1 LEU 46 HD13 LEU 46 2.465 8.534 3.279 370 3HD1 LEU 46 HD12 LEU 46 3.555 7.940 4.530 371 1HD2 LEU 46 HD21 LEU 46 4.452 8.720 0.594 372 2HD2 LEU 46 HD23 LEU 46 4.054 7.130 1.238 373 3HD2 LEU 46 HD22 LEU 46 2.892 8.450 1.362 374 H GLN 47 HN GLN 47 5.142 13.413 1.787 375 HA GLN 47 HA GLN 47 4.762 14.200 4.622 376 1HB GLN 47 HB2 GLN 47 6.899 14.846 3.758 377 2HB GLN 47 HB1 GLN 47 6.187 15.473 2.273 378 1HG GLN 47 HG2 GLN 47 6.876 17.222 4.004 379 2HG GLN 47 HG1 GLN 47 5.221 17.342 3.410 380 1HE2 GLN 47 HE22 GLN 47 4.098 17.305 6.749 381 2HE2 GLN 47 HE21 GLN 47 4.072 18.073 5.236 382 H ALA 48 HN ALA 48 3.183 14.372 1.616 383 HA ALA 48 HA ALA 48 1.942 16.835 1.484 384 1HB ALA 48 HB3 ALA 48 0.847 14.065 1.000 385 2HB ALA 48 HB2 ALA 48 -0.130 15.505 0.710 386 3HB ALA 48 HB1 ALA 48 1.367 15.258 -0.190 387 H GLY 49 HN GLY 49 0.391 14.070 3.160 388 1HA GLY 49 HA2 GLY 49 -0.382 15.914 5.360 389 2HA GLY 49 HA1 GLY 49 -1.673 15.079 4.494 390 H GLY 50 HN GLY 50 1.076 13.148 4.530 391 1HA GLY 50 HA2 GLY 50 1.736 11.321 5.871 392 2HA GLY 50 HA1 GLY 50 0.752 11.983 7.178 393 OH TYR 51 OH TYR 51 -1.371 12.105 -1.056 394 H TYR 51 HN TYR 51 0.635 10.063 4.221 395 HA TYR 51 HA TYR 51 -2.147 9.488 4.281 396 1HB TYR 51 HB2 TYR 51 0.202 7.961 3.167 397 2HB TYR 51 HB1 TYR 51 -1.472 7.459 2.942 398 HD1 TYR 51 HD2 TYR 51 1.013 10.058 2.229 399 HD2 TYR 51 HD1 TYR 51 -2.994 8.702 1.521 400 HE1 TYR 51 HE2 TYR 51 0.775 11.720 0.411 401 HE2 TYR 51 HE1 TYR 51 -3.239 10.373 -0.290 402 HH TYR 51 HH TYR 51 -1.407 12.971 -0.643 403 H GLY 52 HN GLY 52 -3.320 7.953 5.328 404 1HA GLY 52 HA2 GLY 52 -2.040 6.646 7.614 405 2HA GLY 52 HA1 GLY 52 -3.749 6.659 7.271 406 H PHE 53 HN PHE 53 -2.441 5.867 4.371 407 HA PHE 53 HA PHE 53 -1.733 3.077 4.850 408 1HB PHE 53 HB2 PHE 53 -4.279 3.390 5.269 409 2HB PHE 53 HB1 PHE 53 -4.400 3.508 3.521 410 HD1 PHE 53 HD1 PHE 53 -3.119 1.608 2.205 411 HD2 PHE 53 HD2 PHE 53 -4.429 1.308 6.274 412 HE1 PHE 53 HE1 PHE 53 -3.092 -0.840 2.036 413 HE2 PHE 53 HE2 PHE 53 -4.412 -1.133 6.115 414 HZ PHE 53 HZ PHE 53 -3.723 -2.239 3.991 415 H VAL 54 HN VAL 54 -0.020 3.512 3.275 416 HA VAL 54 HA VAL 54 -0.952 4.394 0.592 417 HB VAL 54 HB VAL 54 1.457 4.548 0.061 418 1HG1 VAL 54 HG11 VAL 54 -0.042 6.236 1.626 419 2HG1 VAL 54 HG13 VAL 54 1.399 6.004 2.609 420 3HG1 VAL 54 HG12 VAL 54 1.539 6.620 0.966 421 1HG2 VAL 54 HG22 VAL 54 1.728 2.845 2.241 422 2HG2 VAL 54 HG21 VAL 54 3.027 3.604 1.317 423 3HG2 VAL 54 HG23 VAL 54 2.411 4.380 2.775 424 H ILE 55 HN ILE 55 -0.842 3.147 -1.220 425 HA ILE 55 HA ILE 55 -0.124 0.258 -0.860 426 HB ILE 55 HB ILE 55 -2.187 1.419 -2.758 427 1HG1 ILE 55 HG12 ILE 55 -2.686 -0.071 -0.166 428 2HG1 ILE 55 HG11 ILE 55 -2.788 1.683 -0.318 429 1HG2 ILE 55 HG22 ILE 55 -1.184 -0.740 -3.426 430 2HG2 ILE 55 HG21 ILE 55 -1.623 -1.421 -1.858 431 3HG2 ILE 55 HG23 ILE 55 -2.882 -0.926 -2.990 432 1HD1 ILE 55 HD13 ILE 55 -4.393 -0.288 -1.972 433 2HD1 ILE 55 HD12 ILE 55 -5.012 0.591 -0.575 434 3HD1 ILE 55 HD11 ILE 55 -4.528 1.469 -2.025 435 H SER 56 HN SER 56 1.989 0.414 -1.736 436 HA SER 56 HA SER 56 2.178 1.505 -4.514 437 1HB SER 56 HB2 SER 56 4.423 1.027 -2.545 438 2HB SER 56 HB1 SER 56 4.549 1.826 -4.105 439 HG SER 56 HG SER 56 4.019 3.576 -3.091 440 H ASP 57 HN ASP 57 4.124 0.357 -5.704 441 HA ASP 57 HA ASP 57 3.382 -2.493 -5.789 442 1HB ASP 57 HB2 ASP 57 5.349 -1.034 -7.566 443 2HB ASP 57 HB1 ASP 57 4.497 -2.541 -7.911 444 CH2 TRP 58 CH2 TRP 58 10.176 -6.374 -1.436 445 H TRP 58 HN TRP 58 6.412 -2.346 -7.007 446 HA TRP 58 HA TRP 58 7.725 -3.087 -4.420 447 1HB TRP 58 HB2 TRP 58 7.103 -5.062 -5.878 448 2HB TRP 58 HB1 TRP 58 8.180 -4.412 -7.111 449 HD1 TRP 58 HD1 TRP 58 10.508 -5.387 -7.041 450 HE1 TRP 58 HE1 TRP 58 12.031 -6.433 -5.244 451 HE3 TRP 58 HE3 TRP 58 7.509 -4.879 -2.942 452 HZ2 TRP 58 HZ2 TRP 58 11.982 -6.983 -2.439 453 HZ3 TRP 58 HZ3 TRP 58 8.275 -5.665 -0.724 454 HH2 TRP 58 HH2 TRP 58 10.501 -6.714 -0.464 455 H ASN 59 HN ASN 59 10.274 -3.384 -5.163 456 HA ASN 59 HA ASN 59 10.988 -0.666 -6.102 457 1HB ASN 59 HB2 ASN 59 13.345 -1.575 -5.396 458 2HB ASN 59 HB1 ASN 59 12.175 -1.152 -4.148 459 1HD2 ASN 59 HD22 ASN 59 13.401 -4.989 -4.510 460 2HD2 ASN 59 HD21 ASN 59 14.046 -3.750 -5.474 461 H MET 60 HN MET 60 10.074 -1.935 -8.261 462 HA MET 60 HA MET 60 12.114 -3.506 -9.607 463 1HB MET 60 HB2 MET 60 9.379 -2.927 -10.041 464 2HB MET 60 HB1 MET 60 10.249 -2.333 -11.458 465 1HG MET 60 HG2 MET 60 9.664 -4.672 -11.812 466 2HG MET 60 HG1 MET 60 11.411 -4.535 -11.622 467 1HE MET 60 HE2 MET 60 11.616 -6.993 -11.230 468 2HE MET 60 HE1 MET 60 12.697 -6.055 -10.203 469 3HE MET 60 HE3 MET 60 11.864 -7.474 -9.552 470 HA PRO 61 HA PRO 61 12.738 0.623 -12.021 471 1HB PRO 61 HB2 PRO 61 12.042 2.817 -10.295 472 2HB PRO 61 HB1 PRO 61 11.323 2.390 -11.854 473 1HG PRO 61 HG2 PRO 61 10.096 2.155 -9.291 474 2HG PRO 61 HG1 PRO 61 9.459 1.565 -10.832 475 1HD PRO 61 HD2 PRO 61 10.636 0.052 -8.631 476 2HD PRO 61 HD1 PRO 61 9.743 -0.554 -10.040 477 H ASN 62 HN ASN 62 12.940 0.978 -8.463 478 HA ASN 62 HA ASN 62 15.846 0.842 -8.545 479 1HB ASN 62 HB2 ASN 62 15.808 3.223 -7.285 480 2HB ASN 62 HB1 ASN 62 16.050 3.080 -9.027 481 1HD2 ASN 62 HD22 ASN 62 12.206 3.991 -7.861 482 2HD2 ASN 62 HD21 ASN 62 13.072 2.813 -7.000 483 H MET 63 HN MET 63 16.756 0.903 -6.334 484 HA MET 63 HA MET 63 15.177 -0.510 -4.438 485 1HB MET 63 HB2 MET 63 17.110 0.661 -2.889 486 2HB MET 63 HB1 MET 63 17.351 -0.807 -3.836 487 1HG MET 63 HG2 MET 63 18.340 0.391 -5.639 488 2HG MET 63 HG1 MET 63 17.781 1.942 -5.014 489 1HE MET 63 HE3 MET 63 20.667 0.762 -5.960 490 2HE MET 63 HE2 MET 63 21.799 0.395 -4.661 491 3HE MET 63 HE1 MET 63 20.509 -0.742 -5.041 492 H ASP 64 HN ASP 64 13.489 0.272 -3.260 493 HA ASP 64 HA ASP 64 13.678 2.651 -1.679 494 1HB ASP 64 HB2 ASP 64 13.012 3.128 -4.392 495 2HB ASP 64 HB1 ASP 64 11.526 3.333 -3.465 496 H GLY 65 HN GLY 65 11.061 1.101 -3.566 497 1HA GLY 65 HA2 GLY 65 8.912 1.180 -1.928 498 2HA GLY 65 HA1 GLY 65 9.312 -0.294 -2.773 499 H LEU 66 HN LEU 66 11.512 -1.257 -1.439 500 HA LEU 66 HA LEU 66 10.327 -2.264 0.993 501 1HB LEU 66 HB2 LEU 66 12.444 -3.038 -0.633 502 2HB LEU 66 HB1 LEU 66 13.239 -2.525 0.856 503 HG LEU 66 HG LEU 66 10.964 -4.523 0.650 504 1HD1 LEU 66 HD11 LEU 66 13.935 -4.762 1.139 505 2HD1 LEU 66 HD13 LEU 66 12.807 -6.016 1.658 506 3HD1 LEU 66 HD12 LEU 66 12.951 -5.612 -0.053 507 1HD2 LEU 66 HD21 LEU 66 12.168 -3.016 2.901 508 2HD2 LEU 66 HD23 LEU 66 10.576 -3.764 2.773 509 3HD2 LEU 66 HD22 LEU 66 11.983 -4.748 3.172 510 H GLU 67 HN GLU 67 13.280 -0.268 0.534 511 HA GLU 67 HA GLU 67 13.600 0.440 3.252 512 1HB GLU 67 HB2 GLU 67 14.747 1.211 0.766 513 2HB GLU 67 HB1 GLU 67 14.261 2.694 1.588 514 1HG GLU 67 HG2 GLU 67 15.468 1.985 3.612 515 2HG GLU 67 HG1 GLU 67 15.939 0.483 2.813 516 H LEU 68 HN LEU 68 11.114 1.231 1.087 517 HA LEU 68 HA LEU 68 10.369 3.816 2.171 518 1HB LEU 68 HB2 LEU 68 9.548 2.194 0.036 519 2HB LEU 68 HB1 LEU 68 8.145 2.276 1.087 520 HG LEU 68 HG LEU 68 8.550 4.815 1.133 521 1HD1 LEU 68 HD12 LEU 68 10.868 4.108 -0.182 522 2HD1 LEU 68 HD11 LEU 68 9.827 4.601 -1.515 523 3HD1 LEU 68 HD13 LEU 68 10.161 5.721 -0.199 524 1HD2 LEU 68 HD22 LEU 68 7.758 3.342 -1.398 525 2HD2 LEU 68 HD21 LEU 68 6.691 3.836 -0.085 526 3HD2 LEU 68 HD23 LEU 68 7.439 5.055 -1.115 527 H LEU 69 HN LEU 69 8.986 0.533 2.537 528 HA LEU 69 HA LEU 69 7.225 1.275 4.675 529 1HB LEU 69 HB2 LEU 69 6.472 -0.786 4.255 530 2HB LEU 69 HB1 LEU 69 7.822 -1.051 3.172 531 HG LEU 69 HG LEU 69 9.194 -1.787 5.184 532 1HD1 LEU 69 HD13 LEU 69 6.734 -0.955 6.544 533 2HD1 LEU 69 HD12 LEU 69 7.150 -2.629 6.918 534 3HD1 LEU 69 HD11 LEU 69 8.308 -1.345 7.234 535 1HD2 LEU 69 HD22 LEU 69 7.013 -3.179 3.844 536 2HD2 LEU 69 HD21 LEU 69 8.618 -3.763 4.269 537 3HD2 LEU 69 HD23 LEU 69 7.315 -3.843 5.453 538 H LYS 70 HN LYS 70 10.559 0.099 4.613 539 HA LYS 70 HA LYS 70 10.831 -0.283 7.442 540 1HB LYS 70 HB2 LYS 70 12.442 -0.795 5.331 541 2HB LYS 70 HB1 LYS 70 13.185 0.699 5.909 542 1HG LYS 70 HG2 LYS 70 13.320 -0.282 8.192 543 2HG LYS 70 HG1 LYS 70 12.659 -1.791 7.560 544 1HD LYS 70 HD2 LYS 70 14.567 -2.006 6.027 545 2HD LYS 70 HD1 LYS 70 15.224 -0.478 6.615 546 1HE LYS 70 HE2 LYS 70 14.604 -2.336 8.786 547 2HE LYS 70 HE1 LYS 70 15.793 -2.987 7.658 548 1HZ LYS 70 HZ1 LYS 70 15.956 -0.295 8.896 549 2HZ LYS 70 HZ3 LYS 70 16.779 -1.662 9.470 550 3HZ LYS 70 HZ2 LYS 70 17.135 -1.044 7.928 551 H THR 71 HN THR 71 11.825 2.468 5.369 552 HA THR 71 HA THR 71 12.608 4.214 7.442 553 HB THR 71 HB THR 71 11.834 6.043 5.787 554 HG1 THR 71 HG1 THR 71 10.444 4.151 4.841 555 1HG2 THR 71 HG22 THR 71 13.807 3.856 5.143 556 2HG2 THR 71 HG21 THR 71 13.617 5.258 4.090 557 3HG2 THR 71 HG23 THR 71 14.127 5.474 5.764 558 H ILE 72 HN ILE 72 9.384 3.686 6.013 559 HA ILE 72 HA ILE 72 8.025 5.633 7.620 560 HB ILE 72 HB ILE 72 7.031 3.086 6.305 561 1HG1 ILE 72 HG12 ILE 72 6.530 5.950 5.478 562 2HG1 ILE 72 HG11 ILE 72 7.956 5.074 4.926 563 1HG2 ILE 72 HG22 ILE 72 5.584 5.305 7.760 564 2HG2 ILE 72 HG21 ILE 72 4.778 4.300 6.555 565 3HG2 ILE 72 HG23 ILE 72 5.447 3.565 8.012 566 1HD1 ILE 72 HD11 ILE 72 5.122 4.053 4.588 567 2HD1 ILE 72 HD13 ILE 72 5.999 4.939 3.342 568 3HD1 ILE 72 HD12 ILE 72 6.588 3.370 3.884 569 NH1 ARG 73 NH2 ARG 73 8.611 -0.413 15.121 570 NH2 ARG 73 NH1 ARG 73 7.449 -2.347 14.973 571 H ARG 73 HN ARG 73 9.334 2.529 8.321 572 HA ARG 73 HA ARG 73 7.659 2.139 10.724 573 1HB ARG 73 HB2 ARG 73 8.940 0.388 9.027 574 2HB ARG 73 HB1 ARG 73 10.052 0.445 10.390 575 1HG ARG 73 HG2 ARG 73 7.074 -0.114 10.589 576 2HG ARG 73 HG1 ARG 73 8.341 -1.337 10.656 577 1HD ARG 73 HD2 ARG 73 9.215 0.435 12.554 578 2HD ARG 73 HD1 ARG 73 7.466 0.577 12.724 579 HE ARG 73 HE ARG 73 8.315 -2.194 12.605 580 1HH1 ARG 73 HH21 ARG 73 9.108 0.334 14.681 581 2HH1 ARG 73 HH22 ARG 73 8.506 -0.427 16.116 582 1HH2 ARG 73 HH11 ARG 73 7.057 -3.081 14.418 583 2HH2 ARG 73 HH12 ARG 73 7.344 -2.360 15.967 584 H ALA 74 HN ALA 74 10.961 3.067 9.851 585 HA ALA 74 HA ALA 74 12.095 3.042 12.458 586 1HB ALA 74 HB1 ALA 74 12.852 3.934 9.854 587 2HB ALA 74 HB3 ALA 74 13.157 5.251 10.987 588 3HB ALA 74 HB2 ALA 74 13.888 3.669 11.256 589 H ASP 75 HN ASP 75 10.097 5.438 10.812 590 HA ASP 75 HA ASP 75 10.454 7.694 12.407 591 1HB ASP 75 HB2 ASP 75 8.789 7.263 10.444 592 2HB ASP 75 HB1 ASP 75 7.672 6.775 11.718 593 H GLY 76 HN GLY 76 9.670 8.367 14.440 594 1HA GLY 76 HA2 GLY 76 8.777 6.149 16.221 595 2HA GLY 76 HA1 GLY 76 9.528 7.649 16.762 596 H ALA 77 HN ALA 77 7.877 9.368 15.076 597 HA ALA 77 HA ALA 77 5.750 9.926 16.845 598 1HB ALA 77 HB2 ALA 77 5.937 10.539 13.880 599 2HB ALA 77 HB1 ALA 77 4.823 11.310 15.010 600 3HB ALA 77 HB3 ALA 77 6.562 11.548 15.184 601 H MET 78 HN MET 78 5.946 7.637 14.211 602 HA MET 78 HA MET 78 3.196 6.705 14.890 603 1HB MET 78 HB2 MET 78 4.273 6.973 12.070 604 2HB MET 78 HB1 MET 78 2.676 6.383 12.528 605 1HG MET 78 HG2 MET 78 3.732 9.166 13.107 606 2HG MET 78 HG1 MET 78 2.610 8.759 11.810 607 1HE MET 78 HE1 MET 78 2.404 10.865 14.026 608 2HE MET 78 HE3 MET 78 0.937 10.748 13.044 609 3HE MET 78 HE2 MET 78 0.827 10.744 14.802 610 H SER 79 HN SER 79 6.035 5.890 12.885 611 HA SER 79 HA SER 79 7.031 3.788 12.490 612 1HB SER 79 HB2 SER 79 6.604 2.716 15.149 613 2HB SER 79 HB1 SER 79 8.105 3.246 14.399 614 HG SER 79 HG SER 79 7.457 4.468 16.279 615 H ALA 80 HN ALA 80 3.989 4.015 12.301 616 HA ALA 80 HA ALA 80 3.534 1.096 12.196 617 1HB ALA 80 HB1 ALA 80 2.587 2.649 14.358 618 2HB ALA 80 HB3 ALA 80 1.187 2.318 13.338 619 3HB ALA 80 HB2 ALA 80 2.156 0.985 13.965 620 H LEU 81 HN LEU 81 3.310 4.005 10.651 621 HA LEU 81 HA LEU 81 0.735 4.090 9.575 622 1HB LEU 81 HB2 LEU 81 3.417 4.941 8.619 623 2HB LEU 81 HB1 LEU 81 2.137 4.863 7.415 624 HG LEU 81 HG LEU 81 1.975 6.400 10.032 625 1HD1 LEU 81 HD13 LEU 81 2.485 7.255 7.175 626 2HD1 LEU 81 HD12 LEU 81 1.963 8.379 8.429 627 3HD1 LEU 81 HD11 LEU 81 3.507 7.541 8.583 628 1HD2 LEU 81 HD22 LEU 81 0.017 5.678 7.944 629 2HD2 LEU 81 HD21 LEU 81 -0.258 6.201 9.605 630 3HD2 LEU 81 HD23 LEU 81 0.050 7.397 8.347 631 HA PRO 82 HA PRO 82 0.878 -0.050 7.743 632 1HB PRO 82 HB2 PRO 82 -1.594 0.397 6.350 633 2HB PRO 82 HB1 PRO 82 -1.306 -0.588 7.791 634 1HG PRO 82 HG2 PRO 82 -2.645 1.947 7.637 635 2HG PRO 82 HG1 PRO 82 -2.357 0.956 9.069 636 1HD PRO 82 HD2 PRO 82 -1.079 3.432 8.358 637 2HD PRO 82 HD1 PRO 82 -0.786 2.421 9.790 638 H VAL 83 HN VAL 83 1.749 -0.760 5.935 639 HA VAL 83 HA VAL 83 1.449 0.758 3.381 640 HB VAL 83 HB VAL 83 3.944 -0.059 4.791 641 1HG1 VAL 83 HG13 VAL 83 3.462 -0.669 1.856 642 2HG1 VAL 83 HG12 VAL 83 5.067 -0.298 2.462 643 3HG1 VAL 83 HG11 VAL 83 4.210 -1.703 3.077 644 1HG2 VAL 83 HG22 VAL 83 3.087 2.281 4.009 645 2HG2 VAL 83 HG21 VAL 83 4.793 1.871 3.864 646 3HG2 VAL 83 HG23 VAL 83 3.753 1.770 2.454 647 H LEU 84 HN LEU 84 0.251 -0.663 2.125 648 HA LEU 84 HA LEU 84 0.735 -3.533 2.613 649 1HB LEU 84 HB2 LEU 84 -1.645 -2.731 2.630 650 2HB LEU 84 HB1 LEU 84 -1.454 -2.243 0.954 651 HG LEU 84 HG LEU 84 -1.591 -4.415 0.165 652 1HD1 LEU 84 HD12 LEU 84 -0.507 -5.408 2.822 653 2HD1 LEU 84 HD11 LEU 84 -0.990 -6.444 1.486 654 3HD1 LEU 84 HD13 LEU 84 0.371 -5.349 1.289 655 1HD2 LEU 84 HD23 LEU 84 -3.616 -3.891 1.563 656 2HD2 LEU 84 HD22 LEU 84 -3.304 -5.616 1.365 657 3HD2 LEU 84 HD21 LEU 84 -2.877 -4.811 2.874 658 H MET 85 HN MET 85 2.580 -3.958 1.590 659 HA MET 85 HA MET 85 3.357 -2.823 -0.899 660 1HB MET 85 HB2 MET 85 4.844 -4.005 0.787 661 2HB MET 85 HB1 MET 85 4.188 -5.531 0.197 662 1HG MET 85 HG2 MET 85 5.762 -5.488 -1.421 663 2HG MET 85 HG1 MET 85 4.919 -4.104 -2.115 664 1HE MET 85 HE2 MET 85 5.332 -1.783 -1.748 665 2HE MET 85 HE1 MET 85 5.254 -1.783 0.012 666 3HE MET 85 HE3 MET 85 6.623 -1.030 -0.816 667 H VAL 86 HN VAL 86 3.113 -3.583 -3.010 668 HA VAL 86 HA VAL 86 1.246 -5.892 -3.371 669 HB VAL 86 HB VAL 86 1.131 -3.232 -4.813 670 1HG1 VAL 86 HG11 VAL 86 -0.604 -5.709 -4.878 671 2HG1 VAL 86 HG13 VAL 86 -1.048 -4.171 -5.616 672 3HG1 VAL 86 HG12 VAL 86 0.362 -5.054 -6.198 673 1HG2 VAL 86 HG23 VAL 86 -0.107 -4.242 -2.322 674 2HG2 VAL 86 HG22 VAL 86 0.139 -2.585 -2.865 675 3HG2 VAL 86 HG21 VAL 86 -1.235 -3.514 -3.465 676 H THR 87 HN THR 87 1.583 -7.127 -5.222 677 HA THR 87 HA THR 87 3.579 -6.213 -7.202 678 HB THR 87 HB THR 87 5.019 -7.284 -5.561 679 HG1 THR 87 HG1 THR 87 5.938 -8.100 -7.245 680 1HG2 THR 87 HG21 THR 87 2.733 -8.943 -5.189 681 2HG2 THR 87 HG23 THR 87 4.081 -9.981 -5.648 682 3HG2 THR 87 HG22 THR 87 4.222 -8.919 -4.246 683 H ALA 88 HN ALA 88 3.682 -7.807 -9.052 684 HA ALA 88 HA ALA 88 1.059 -9.226 -9.353 685 1HB ALA 88 HB2 ALA 88 1.523 -7.186 -10.838 686 2HB ALA 88 HB1 ALA 88 2.768 -8.168 -11.612 687 3HB ALA 88 HB3 ALA 88 1.079 -8.674 -11.673 688 H GLU 89 HN GLU 89 3.375 -10.417 -8.167 689 HA GLU 89 HA GLU 89 3.583 -12.772 -9.850 690 1HB GLU 89 HB2 GLU 89 5.561 -10.703 -10.149 691 2HB GLU 89 HB1 GLU 89 6.314 -12.127 -9.432 692 1HG GLU 89 HG2 GLU 89 5.481 -13.537 -11.229 693 2HG GLU 89 HG1 GLU 89 4.572 -12.188 -11.911 694 H ALA 90 HN ALA 90 5.040 -10.961 -7.143 695 HA ALA 90 HA ALA 90 5.876 -11.741 -5.087 696 1HB ALA 90 HB3 ALA 90 3.154 -12.351 -5.363 697 2HB ALA 90 HB2 ALA 90 3.871 -13.831 -4.730 698 3HB ALA 90 HB1 ALA 90 4.070 -12.315 -3.858 699 H LYS 91 HN LYS 91 7.794 -12.693 -5.988 700 HA LYS 91 HA LYS 91 7.807 -15.443 -6.916 701 1HB LYS 91 HB2 LYS 91 9.473 -13.498 -7.438 702 2HB LYS 91 HB1 LYS 91 10.254 -13.989 -5.935 703 1HG LYS 91 HG2 LYS 91 11.379 -15.443 -7.293 704 2HG LYS 91 HG1 LYS 91 9.918 -16.413 -7.125 705 1HD LYS 91 HD2 LYS 91 10.382 -16.268 -9.479 706 2HD LYS 91 HD1 LYS 91 9.001 -15.219 -9.163 707 1HE LYS 91 HE2 LYS 91 10.134 -13.474 -10.017 708 2HE LYS 91 HE1 LYS 91 11.374 -13.669 -8.780 709 1HZ LYS 91 HZ1 LYS 91 11.292 -15.280 -11.265 710 2HZ LYS 91 HZ3 LYS 91 12.174 -13.839 -11.123 711 3HZ LYS 91 HZ2 LYS 91 12.562 -15.170 -10.141 712 H LYS 92 HN LYS 92 6.945 -14.594 -4.034 713 HA LYS 92 HA LYS 92 6.913 -15.795 -2.004 714 1HB LYS 92 HB2 LYS 92 7.638 -17.719 -3.761 715 2HB LYS 92 HB1 LYS 92 9.114 -17.626 -2.801 716 1HG LYS 92 HG2 LYS 92 7.663 -17.813 -0.731 717 2HG LYS 92 HG1 LYS 92 6.309 -18.172 -1.802 718 1HD LYS 92 HD2 LYS 92 8.892 -19.749 -1.600 719 2HD LYS 92 HD1 LYS 92 7.311 -20.262 -1.010 720 1HE LYS 92 HE2 LYS 92 6.568 -19.814 -3.500 721 2HE LYS 92 HE1 LYS 92 8.288 -20.014 -3.837 722 1HZ LYS 92 HZ1 LYS 92 7.370 -22.024 -2.061 723 2HZ LYS 92 HZ3 LYS 92 6.420 -22.009 -3.466 724 3HZ LYS 92 HZ2 LYS 92 8.105 -22.192 -3.585 725 H GLU 93 HN GLU 93 10.152 -15.376 -3.443 726 HA GLU 93 HA GLU 93 11.430 -15.037 -0.889 727 1HB GLU 93 HB2 GLU 93 12.576 -15.801 -3.013 728 2HB GLU 93 HB1 GLU 93 12.463 -14.135 -3.583 729 1HG GLU 93 HG2 GLU 93 14.421 -13.775 -2.515 730 2HG GLU 93 HG1 GLU 93 13.498 -13.874 -1.015 731 H ASN 94 HN ASN 94 10.369 -12.800 -3.462 732 HA ASN 94 HA ASN 94 11.206 -10.441 -1.984 733 1HB ASN 94 HB2 ASN 94 9.762 -11.001 -4.519 734 2HB ASN 94 HB1 ASN 94 9.396 -9.460 -3.743 735 1HD2 ASN 94 HD22 ASN 94 13.178 -10.124 -5.200 736 2HD2 ASN 94 HD21 ASN 94 12.143 -11.443 -4.929 737 H ILE 95 HN ILE 95 8.726 -12.615 -1.492 738 HA ILE 95 HA ILE 95 6.674 -10.696 -0.652 739 HB ILE 95 HB ILE 95 6.987 -13.685 -0.586 740 1HG1 ILE 95 HG12 ILE 95 4.646 -11.962 -1.427 741 2HG1 ILE 95 HG11 ILE 95 5.987 -12.330 -2.512 742 1HG2 ILE 95 HG21 ILE 95 5.164 -12.014 1.139 743 2HG2 ILE 95 HG23 ILE 95 4.684 -13.627 0.616 744 3HG2 ILE 95 HG22 ILE 95 6.133 -13.414 1.596 745 1HD1 ILE 95 HD13 ILE 95 4.970 -14.716 -1.165 746 2HD1 ILE 95 HD12 ILE 95 3.729 -13.909 -2.123 747 3HD1 ILE 95 HD11 ILE 95 5.232 -14.426 -2.886 748 H ILE 96 HN ILE 96 8.678 -13.119 1.071 749 HA ILE 96 HA ILE 96 8.105 -11.984 3.663 750 HB ILE 96 HB ILE 96 10.382 -13.779 2.758 751 1HG1 ILE 96 HG12 ILE 96 7.892 -14.535 4.300 752 2HG1 ILE 96 HG11 ILE 96 7.940 -14.573 2.537 753 1HG2 ILE 96 HG23 ILE 96 9.572 -12.642 5.397 754 2HG2 ILE 96 HG22 ILE 96 10.106 -14.322 5.368 755 3HG2 ILE 96 HG21 ILE 96 11.179 -13.045 4.795 756 1HD1 ILE 96 HD11 ILE 96 10.230 -15.884 3.871 757 2HD1 ILE 96 HD13 ILE 96 8.672 -16.671 4.123 758 3HD1 ILE 96 HD12 ILE 96 9.276 -16.418 2.486 759 H ALA 97 HN ALA 97 9.701 -10.654 1.142 760 HA ALA 97 HA ALA 97 12.013 -9.557 2.565 761 1HB ALA 97 HB2 ALA 97 10.781 -9.015 -0.142 762 2HB ALA 97 HB1 ALA 97 12.147 -8.087 0.473 763 3HB ALA 97 HB3 ALA 97 12.308 -9.823 0.207 764 H ALA 98 HN ALA 98 8.891 -8.308 1.378 765 HA ALA 98 HA ALA 98 9.261 -5.697 2.592 766 1HB ALA 98 HB3 ALA 98 7.284 -6.956 0.955 767 2HB ALA 98 HB2 ALA 98 6.478 -6.369 2.410 768 3HB ALA 98 HB1 ALA 98 7.394 -5.251 1.399 769 H ALA 99 HN ALA 99 7.355 -8.577 3.423 770 HA ALA 99 HA ALA 99 6.415 -7.620 5.896 771 1HB ALA 99 HB2 ALA 99 6.676 -10.265 4.587 772 2HB ALA 99 HB1 ALA 99 6.563 -10.295 6.347 773 3HB ALA 99 HB3 ALA 99 5.285 -9.540 5.396 774 H GLN 100 HN GLN 100 9.547 -8.917 4.953 775 HA GLN 100 HA GLN 100 10.547 -9.742 7.475 776 1HB GLN 100 HB2 GLN 100 11.692 -8.978 4.931 777 2HB GLN 100 HB1 GLN 100 12.609 -8.228 6.233 778 1HG GLN 100 HG2 GLN 100 11.896 -11.172 6.120 779 2HG GLN 100 HG1 GLN 100 13.456 -10.504 5.639 780 1HE2 GLN 100 HE22 GLN 100 13.736 -11.539 9.217 781 2HE2 GLN 100 HE21 GLN 100 13.424 -12.343 7.755 782 H ALA 101 HN ALA 101 9.923 -6.629 6.066 783 HA ALA 101 HA ALA 101 10.982 -5.160 8.406 784 1HB ALA 101 HB1 ALA 101 10.343 -4.517 5.670 785 2HB ALA 101 HB3 ALA 101 9.364 -3.510 6.730 786 3HB ALA 101 HB2 ALA 101 11.119 -3.488 6.874 787 H GLY 102 HN GLY 102 8.140 -6.559 7.115 788 1HA GLY 102 HA2 GLY 102 6.049 -6.947 8.039 789 2HA GLY 102 HA1 GLY 102 6.698 -6.335 9.544 790 H ALA 103 HN ALA 103 5.371 -5.185 6.387 791 HA ALA 103 HA ALA 103 4.839 -2.574 7.700 792 1HB ALA 103 HB2 ALA 103 4.303 -3.733 4.960 793 2HB ALA 103 HB1 ALA 103 3.760 -2.137 5.445 794 3HB ALA 103 HB3 ALA 103 5.451 -2.494 5.379 795 H SER 104 HN SER 104 2.520 -3.272 5.514 796 HA SER 104 HA SER 104 0.463 -3.773 7.610 797 1HB SER 104 HB2 SER 104 0.125 -3.075 4.690 798 2HB SER 104 HB1 SER 104 -1.195 -3.337 5.810 799 HG SER 104 HG SER 104 0.849 -1.525 6.447 800 H GLY 105 HN GLY 105 1.578 -4.993 4.521 801 1HA GLY 105 HA2 GLY 105 1.634 -7.720 5.061 802 2HA GLY 105 HA1 GLY 105 -0.015 -7.403 4.560 803 OH TYR 106 OH TYR 106 1.570 -13.132 -3.157 804 H TYR 106 HN TYR 106 0.495 -8.782 2.680 805 HA TYR 106 HA TYR 106 1.598 -7.151 0.465 806 1HB TYR 106 HB2 TYR 106 3.473 -8.390 0.275 807 2HB TYR 106 HB1 TYR 106 2.941 -9.468 1.567 808 HD1 TYR 106 HD2 TYR 106 2.435 -8.780 -2.117 809 HD2 TYR 106 HD1 TYR 106 2.220 -11.649 1.080 810 HE1 TYR 106 HE2 TYR 106 1.963 -10.586 -3.742 811 HE2 TYR 106 HE1 TYR 106 1.752 -13.439 -0.551 812 HH TYR 106 HH TYR 106 0.898 -13.704 -2.782 813 H VAL 107 HN VAL 107 0.443 -7.458 -1.400 814 HA VAL 107 HA VAL 107 -1.435 -9.777 -1.528 815 HB VAL 107 HB VAL 107 -2.650 -7.679 -0.855 816 1HG1 VAL 107 HG12 VAL 107 -0.947 -6.398 -2.521 817 2HG1 VAL 107 HG11 VAL 107 -2.324 -6.598 -3.604 818 3HG1 VAL 107 HG13 VAL 107 -2.520 -5.741 -2.077 819 1HG2 VAL 107 HG22 VAL 107 -3.212 -8.833 -3.607 820 2HG2 VAL 107 HG21 VAL 107 -3.852 -9.410 -2.072 821 3HG2 VAL 107 HG23 VAL 107 -4.351 -7.840 -2.699 822 H VAL 108 HN VAL 108 -1.396 -10.772 -3.525 823 HA VAL 108 HA VAL 108 0.527 -9.674 -5.459 824 HB VAL 108 HB VAL 108 0.645 -12.062 -4.997 825 1HG1 VAL 108 HG12 VAL 108 -2.148 -11.885 -4.881 826 2HG1 VAL 108 HG11 VAL 108 -1.823 -12.861 -6.312 827 3HG1 VAL 108 HG13 VAL 108 -1.187 -13.357 -4.744 828 1HG2 VAL 108 HG23 VAL 108 0.960 -11.089 -7.372 829 2HG2 VAL 108 HG22 VAL 108 0.749 -12.834 -7.229 830 3HG2 VAL 108 HG21 VAL 108 -0.604 -11.819 -7.730 831 H LYS 109 HN LYS 109 -0.557 -7.931 -6.500 832 HA LYS 109 HA LYS 109 -3.286 -7.935 -7.313 833 1HB LYS 109 HB2 LYS 109 -2.761 -5.907 -8.406 834 2HB LYS 109 HB1 LYS 109 -1.505 -6.023 -7.202 835 1HG LYS 109 HG2 LYS 109 -0.251 -5.544 -9.095 836 2HG LYS 109 HG1 LYS 109 -0.166 -7.297 -9.046 837 1HD LYS 109 HD2 LYS 109 -1.015 -7.350 -11.130 838 2HD LYS 109 HD1 LYS 109 -2.513 -6.660 -10.520 839 1HE LYS 109 HE2 LYS 109 -1.449 -4.377 -10.729 840 2HE LYS 109 HE1 LYS 109 -0.095 -5.155 -11.545 841 1HZ LYS 109 HZ1 LYS 109 -2.522 -6.035 -12.677 842 2HZ LYS 109 HZ3 LYS 109 -2.499 -4.339 -12.659 843 3HZ LYS 109 HZ2 LYS 109 -1.243 -5.196 -13.417 844 HA PRO 110 HA PRO 110 -4.456 -7.044 -9.298 845 1HB PRO 110 HB2 PRO 110 -6.389 -8.682 -10.618 846 2HB PRO 110 HB1 PRO 110 -5.619 -7.214 -11.233 847 1HG PRO 110 HG2 PRO 110 -5.207 -9.868 -12.175 848 2HG PRO 110 HG1 PRO 110 -4.301 -8.424 -12.646 849 1HD PRO 110 HD2 PRO 110 -3.477 -10.618 -10.877 850 2HD PRO 110 HD1 PRO 110 -2.484 -9.352 -11.626 851 H PHE 111 HN PHE 111 -6.323 -7.035 -7.921 852 HA PHE 111 HA PHE 111 -7.101 -9.643 -6.704 853 1HB PHE 111 HB2 PHE 111 -7.323 -8.293 -4.497 854 2HB PHE 111 HB1 PHE 111 -5.722 -8.829 -4.972 855 HD1 PHE 111 HD1 PHE 111 -8.071 -5.910 -5.302 856 HD2 PHE 111 HD2 PHE 111 -3.996 -7.254 -5.123 857 HE1 PHE 111 HE1 PHE 111 -7.283 -3.570 -5.398 858 HE2 PHE 111 HE2 PHE 111 -3.219 -4.909 -5.198 859 HZ PHE 111 HZ PHE 111 -4.861 -3.064 -5.337 860 H THR 112 HN THR 112 -9.209 -9.580 -5.759 861 HA THR 112 HA THR 112 -10.985 -7.623 -7.103 862 HB THR 112 HB THR 112 -12.083 -9.717 -5.285 863 HG1 THR 112 HG1 THR 112 -11.255 -10.437 -7.871 864 1HG2 THR 112 HG21 THR 112 -13.408 -8.094 -6.725 865 2HG2 THR 112 HG23 THR 112 -12.806 -8.979 -8.126 866 3HG2 THR 112 HG22 THR 112 -13.815 -9.797 -6.934 867 H ALA 113 HN ALA 113 -12.408 -6.266 -5.811 868 HA ALA 113 HA ALA 113 -11.266 -5.106 -3.533 869 1HB ALA 113 HB1 ALA 113 -13.412 -4.452 -4.968 870 2HB ALA 113 HB3 ALA 113 -14.258 -5.295 -3.672 871 3HB ALA 113 HB2 ALA 113 -13.248 -3.899 -3.301 872 H ALA 114 HN ALA 114 -13.366 -7.936 -3.748 873 HA ALA 114 HA ALA 114 -13.686 -8.177 -0.883 874 1HB ALA 114 HB2 ALA 114 -15.130 -9.302 -2.692 875 2HB ALA 114 HB1 ALA 114 -13.809 -10.457 -2.869 876 3HB ALA 114 HB3 ALA 114 -14.656 -10.317 -1.330 877 H THR 115 HN THR 115 -11.281 -9.132 -3.219 878 HA THR 115 HA THR 115 -9.899 -10.935 -1.398 879 HB THR 115 HB THR 115 -9.104 -9.643 -4.004 880 HG1 THR 115 HG1 THR 115 -10.620 -11.604 -3.545 881 1HG2 THR 115 HG21 THR 115 -7.551 -11.456 -2.160 882 2HG2 THR 115 HG23 THR 115 -7.180 -11.325 -3.878 883 3HG2 THR 115 HG22 THR 115 -7.043 -9.910 -2.836 884 H LEU 116 HN LEU 116 -8.816 -7.729 -2.803 885 HA LEU 116 HA LEU 116 -6.785 -7.323 -0.919 886 1HB LEU 116 HB2 LEU 116 -8.086 -5.726 -2.851 887 2HB LEU 116 HB1 LEU 116 -8.267 -4.845 -1.341 888 HG LEU 116 HG LEU 116 -5.715 -5.633 -2.761 889 1HD1 LEU 116 HD13 LEU 116 -7.074 -3.400 -3.003 890 2HD1 LEU 116 HD12 LEU 116 -6.360 -3.011 -1.444 891 3HD1 LEU 116 HD11 LEU 116 -5.322 -3.328 -2.832 892 1HD2 LEU 116 HD22 LEU 116 -6.159 -5.318 0.151 893 2HD2 LEU 116 HD21 LEU 116 -4.831 -6.100 -0.705 894 3HD2 LEU 116 HD23 LEU 116 -4.847 -4.348 -0.512 895 H GLU 117 HN GLU 117 -10.294 -6.807 -0.566 896 HA GLU 117 HA GLU 117 -10.158 -5.527 1.984 897 1HB GLU 117 HB2 GLU 117 -12.200 -5.434 0.661 898 2HB GLU 117 HB1 GLU 117 -12.349 -7.188 0.733 899 1HG GLU 117 HG2 GLU 117 -12.084 -5.910 3.370 900 2HG GLU 117 HG1 GLU 117 -13.546 -5.454 2.494 901 H GLU 118 HN GLU 118 -10.846 -8.908 1.108 902 HA GLU 118 HA GLU 118 -11.076 -10.042 3.637 903 1HB GLU 118 HB2 GLU 118 -10.145 -10.998 0.997 904 2HB GLU 118 HB1 GLU 118 -9.582 -11.948 2.372 905 1HG GLU 118 HG2 GLU 118 -12.481 -11.156 2.078 906 2HG GLU 118 HG1 GLU 118 -11.841 -12.624 1.338 907 H LYS 119 HN LYS 119 -8.243 -8.696 2.125 908 HA LYS 119 HA LYS 119 -6.435 -9.877 4.137 909 1HB LYS 119 HB2 LYS 119 -6.124 -8.294 1.635 910 2HB LYS 119 HB1 LYS 119 -4.879 -8.080 2.867 911 1HG LYS 119 HG2 LYS 119 -4.385 -10.431 2.895 912 2HG LYS 119 HG1 LYS 119 -5.793 -10.799 1.900 913 1HD LYS 119 HD2 LYS 119 -4.768 -9.396 0.074 914 2HD LYS 119 HD1 LYS 119 -3.309 -9.285 1.060 915 1HE LYS 119 HE2 LYS 119 -3.171 -11.124 -0.611 916 2HE LYS 119 HE1 LYS 119 -3.080 -11.723 1.046 917 1HZ LYS 119 HZ1 LYS 119 -5.726 -11.518 -0.172 918 2HZ LYS 119 HZ3 LYS 119 -4.714 -12.762 -0.724 919 3HZ LYS 119 HZ2 LYS 119 -5.120 -12.666 0.923 920 H LEU 120 HN LEU 120 -7.534 -6.606 3.170 921 HA LEU 120 HA LEU 120 -6.260 -5.108 5.155 922 1HB LEU 120 HB2 LEU 120 -9.067 -4.818 4.037 923 2HB LEU 120 HB1 LEU 120 -8.350 -3.627 5.099 924 HG LEU 120 HG LEU 120 -7.491 -4.371 2.295 925 1HD1 LEU 120 HD13 LEU 120 -9.326 -2.623 2.952 926 2HD1 LEU 120 HD12 LEU 120 -7.956 -1.624 3.438 927 3HD1 LEU 120 HD11 LEU 120 -8.103 -2.166 1.766 928 1HD2 LEU 120 HD21 LEU 120 -5.954 -2.938 4.459 929 2HD2 LEU 120 HD23 LEU 120 -5.367 -4.096 3.265 930 3HD2 LEU 120 HD22 LEU 120 -5.764 -2.451 2.780 931 H ASN 121 HN ASN 121 -9.549 -6.487 5.456 932 HA ASN 121 HA ASN 121 -10.075 -5.917 8.104 933 1HB ASN 121 HB2 ASN 121 -11.082 -7.732 6.194 934 2HB ASN 121 HB1 ASN 121 -10.757 -8.683 7.644 935 1HD2 ASN 121 HD22 ASN 121 -13.384 -5.530 8.036 936 2HD2 ASN 121 HD21 ASN 121 -12.074 -5.380 6.967 937 H LYS 122 HN LYS 122 -8.536 -8.984 7.110 938 HA LYS 122 HA LYS 122 -7.854 -9.985 9.599 939 1HB LYS 122 HB2 LYS 122 -7.359 -10.941 7.240 940 2HB LYS 122 HB1 LYS 122 -5.842 -10.049 7.356 941 1HG LYS 122 HG2 LYS 122 -5.403 -11.200 9.544 942 2HG LYS 122 HG1 LYS 122 -6.842 -12.181 9.265 943 1HD LYS 122 HD2 LYS 122 -5.823 -12.902 7.070 944 2HD LYS 122 HD1 LYS 122 -4.340 -12.082 7.560 945 1HE LYS 122 HE2 LYS 122 -5.488 -14.631 8.519 946 2HE LYS 122 HE1 LYS 122 -3.807 -14.097 8.477 947 1HZ LYS 122 HZ1 LYS 122 -4.343 -12.618 10.372 948 2HZ LYS 122 HZ3 LYS 122 -5.878 -13.332 10.460 949 3HZ LYS 122 HZ2 LYS 122 -4.489 -14.270 10.738 950 H ILE 123 HN ILE 123 -6.359 -7.272 7.933 951 HA ILE 123 HA ILE 123 -4.161 -7.149 9.897 952 HB ILE 123 HB ILE 123 -4.906 -5.632 7.421 953 1HG1 ILE 123 HG12 ILE 123 -2.151 -6.480 8.236 954 2HG1 ILE 123 HG11 ILE 123 -3.307 -7.728 7.770 955 1HG2 ILE 123 HG22 ILE 123 -3.194 -4.635 9.702 956 2HG2 ILE 123 HG21 ILE 123 -2.874 -4.136 8.043 957 3HG2 ILE 123 HG23 ILE 123 -4.427 -3.763 8.787 958 1HD1 ILE 123 HD12 ILE 123 -2.563 -5.310 6.096 959 2HD1 ILE 123 HD11 ILE 123 -1.997 -6.958 5.822 960 3HD1 ILE 123 HD13 ILE 123 -3.707 -6.571 5.632 961 H PHE 124 HN PHE 124 -7.039 -5.214 9.045 962 HA PHE 124 HA PHE 124 -6.613 -3.179 10.975 963 1HB PHE 124 HB2 PHE 124 -8.992 -4.179 9.468 964 2HB PHE 124 HB1 PHE 124 -9.216 -3.005 10.763 965 HD1 PHE 124 HD1 PHE 124 -7.844 -0.848 10.720 966 HD2 PHE 124 HD2 PHE 124 -8.125 -3.520 7.384 967 HE1 PHE 124 HE1 PHE 124 -7.008 0.944 9.222 968 HE2 PHE 124 HE2 PHE 124 -7.301 -1.725 5.883 969 HZ PHE 124 HZ PHE 124 -6.745 0.489 6.788 970 H GLU 125 HN GLU 125 -6.849 -6.331 11.676 971 HA GLU 125 HA GLU 125 -8.719 -6.184 13.920 972 1HB GLU 125 HB2 GLU 125 -7.704 -8.275 12.491 973 2HB GLU 125 HB1 GLU 125 -6.640 -8.305 13.897 974 1HG GLU 125 HG2 GLU 125 -8.774 -8.161 15.316 975 2HG GLU 125 HG1 GLU 125 -9.651 -8.546 13.835 976 H LYS 126 HN LYS 126 -5.240 -5.938 13.387 977 HA LYS 126 HA LYS 126 -4.675 -5.652 16.252 978 1HB LYS 126 HB2 LYS 126 -3.139 -6.324 14.039 979 2HB LYS 126 HB1 LYS 126 -2.625 -4.674 14.394 980 1HG LYS 126 HG2 LYS 126 -2.284 -5.335 16.778 981 2HG LYS 126 HG1 LYS 126 -2.681 -6.997 16.342 982 1HD LYS 126 HD2 LYS 126 -0.766 -7.199 14.943 983 2HD LYS 126 HD1 LYS 126 -0.484 -5.458 14.950 984 1HE LYS 126 HE2 LYS 126 0.545 -5.498 16.991 985 2HE LYS 126 HE1 LYS 126 -0.517 -6.760 17.614 986 1HZ LYS 126 HZ3 LYS 126 0.984 -7.874 15.552 987 2HZ LYS 126 HZ2 LYS 126 2.068 -7.016 16.540 988 3HZ LYS 126 HZ1 LYS 126 1.075 -8.221 17.210 989 H LEU 127 HN LEU 127 -5.125 -3.606 13.412 990 HA LEU 127 HA LEU 127 -4.303 -1.130 14.551 991 1HB LEU 127 HB2 LEU 127 -5.139 -1.819 12.090 992 2HB LEU 127 HB1 LEU 127 -6.664 -1.191 12.703 993 HG LEU 127 HG LEU 127 -5.479 0.614 11.605 994 1HD1 LEU 127 HD12 LEU 127 -6.634 0.948 13.901 995 2HD1 LEU 127 HD11 LEU 127 -4.995 1.109 14.534 996 3HD1 LEU 127 HD13 LEU 127 -5.581 2.229 13.306 997 1HD2 LEU 127 HD21 LEU 127 -3.174 -0.688 12.554 998 2HD2 LEU 127 HD23 LEU 127 -3.234 0.818 11.639 999 3HD2 LEU 127 HD22 LEU 127 -3.208 0.856 13.402 1000 H GLY 128 HN GLY 128 -7.271 -3.010 14.831 1001 1HA GLY 128 HA2 GLY 128 -8.924 -2.857 16.509 1002 2HA GLY 128 HA1 GLY 128 -8.006 -1.538 17.237 1003 H MET 129 HN MET 129 -10.144 -2.265 14.485 1004 HA MET 129 HA MET 129 -10.787 0.613 14.237 1005 1HB MET 129 HB2 MET 129 -12.339 -0.437 12.373 1006 2HB MET 129 HB1 MET 129 -10.609 -0.261 12.091 1007 1HG MET 129 HG2 MET 129 -11.411 -2.517 11.456 1008 2HG MET 129 HG1 MET 129 -10.248 -2.596 12.775 1009 1HE MET 129 HE2 MET 129 -11.784 -4.918 12.097 1010 2HE MET 129 HE1 MET 129 -13.257 -5.311 12.979 1011 3HE MET 129 HE3 MET 129 -13.322 -4.229 11.582 Start of MODEL 33 Raw file had 1011 H/Q atoms Start of MODEL 33 1 H ALA 2 HN ALA 2 -14.750 0.363 9.201 2 HA ALA 2 HA ALA 2 -12.454 1.507 10.655 3 1HB ALA 2 HB1 ALA 2 -11.731 -0.395 8.973 4 2HB ALA 2 HB3 ALA 2 -12.006 0.853 7.758 5 3HB ALA 2 HB2 ALA 2 -10.820 1.114 9.039 6 H ASP 3 HN ASP 3 -11.862 3.632 9.775 7 HA ASP 3 HA ASP 3 -13.971 5.339 9.205 8 1HB ASP 3 HB2 ASP 3 -11.336 5.734 9.549 9 2HB ASP 3 HB1 ASP 3 -11.412 5.937 7.799 10 H LYS 4 HN LYS 4 -15.021 6.063 7.326 11 HA LYS 4 HA LYS 4 -14.753 4.284 4.982 12 1HB LYS 4 HB2 LYS 4 -16.681 6.586 5.375 13 2HB LYS 4 HB1 LYS 4 -16.811 5.276 4.204 14 1HG LYS 4 HG2 LYS 4 -16.536 4.074 6.767 15 2HG LYS 4 HG1 LYS 4 -17.752 5.342 6.916 16 1HD LYS 4 HD2 LYS 4 -17.760 3.218 4.749 17 2HD LYS 4 HD1 LYS 4 -18.718 3.137 6.226 18 1HE LYS 4 HE2 LYS 4 -19.061 5.712 4.938 19 2HE LYS 4 HE1 LYS 4 -19.444 4.401 3.823 20 1HZ LYS 4 HZ1 LYS 4 -20.481 4.460 6.592 21 2HZ LYS 4 HZ3 LYS 4 -21.298 5.215 5.312 22 3HZ LYS 4 HZ2 LYS 4 -21.036 3.538 5.277 23 H GLU 5 HN GLU 5 -12.748 6.432 5.762 24 HA GLU 5 HA GLU 5 -12.399 7.501 3.056 25 1HB GLU 5 HB2 GLU 5 -13.966 9.092 4.383 26 2HB GLU 5 HB1 GLU 5 -12.519 9.512 5.302 27 1HG GLU 5 HG2 GLU 5 -11.368 10.171 3.243 28 2HG GLU 5 HG1 GLU 5 -12.766 9.685 2.283 29 H LEU 6 HN LEU 6 -10.842 5.710 4.578 30 HA LEU 6 HA LEU 6 -8.736 7.035 5.989 31 1HB LEU 6 HB2 LEU 6 -9.286 4.648 6.265 32 2HB LEU 6 HB1 LEU 6 -8.770 4.334 4.621 33 HG LEU 6 HG LEU 6 -6.464 5.015 5.188 34 1HD1 LEU 6 HD11 LEU 6 -7.824 5.791 7.727 35 2HD1 LEU 6 HD13 LEU 6 -6.189 5.145 7.834 36 3HD1 LEU 6 HD12 LEU 6 -6.503 6.588 6.870 37 1HD2 LEU 6 HD22 LEU 6 -7.911 2.873 6.662 38 2HD2 LEU 6 HD21 LEU 6 -6.579 2.757 5.517 39 3HD2 LEU 6 HD23 LEU 6 -6.269 3.243 7.183 40 H LYS 7 HN LYS 7 -6.703 7.741 5.208 41 HA LYS 7 HA LYS 7 -6.679 8.485 2.388 42 1HB LYS 7 HB2 LYS 7 -5.038 9.075 4.793 43 2HB LYS 7 HB1 LYS 7 -4.228 9.216 3.232 44 1HG LYS 7 HG2 LYS 7 -5.698 10.884 2.474 45 2HG LYS 7 HG1 LYS 7 -6.937 10.461 3.658 46 1HD LYS 7 HD2 LYS 7 -5.467 11.281 5.475 47 2HD LYS 7 HD1 LYS 7 -4.256 11.739 4.277 48 1HE LYS 7 HE2 LYS 7 -5.330 13.757 4.384 49 2HE LYS 7 HE1 LYS 7 -6.422 12.983 3.235 50 1HZ LYS 7 HZ3 LYS 7 -7.118 12.278 5.884 51 2HZ LYS 7 HZ2 LYS 7 -7.048 13.970 5.739 52 3HZ LYS 7 HZ1 LYS 7 -8.054 13.067 4.710 53 H PHE 8 HN PHE 8 -5.928 7.205 0.789 54 HA PHE 8 HA PHE 8 -3.941 5.091 1.458 55 1HB PHE 8 HB2 PHE 8 -5.916 5.356 -0.821 56 2HB PHE 8 HB1 PHE 8 -4.675 4.120 -0.752 57 HD1 PHE 8 HD2 PHE 8 -7.648 5.470 0.973 58 HD2 PHE 8 HD1 PHE 8 -4.943 2.172 0.596 59 HE1 PHE 8 HE2 PHE 8 -9.119 4.100 2.403 60 HE2 PHE 8 HE1 PHE 8 -6.424 0.787 2.042 61 HZ PHE 8 HZ PHE 8 -8.512 1.765 2.955 62 H LEU 9 HN LEU 9 -2.150 4.821 0.025 63 HA LEU 9 HA LEU 9 -1.692 7.066 -1.896 64 1HB LEU 9 HB2 LEU 9 -0.333 7.670 -0.068 65 2HB LEU 9 HB1 LEU 9 0.143 6.017 0.250 66 HG LEU 9 HG LEU 9 1.511 5.975 -1.758 67 1HD1 LEU 9 HD13 LEU 9 0.054 8.551 -2.288 68 2HD1 LEU 9 HD12 LEU 9 1.649 8.282 -2.987 69 3HD1 LEU 9 HD11 LEU 9 0.324 7.190 -3.376 70 1HD2 LEU 9 HD22 LEU 9 1.925 7.673 0.429 71 2HD2 LEU 9 HD21 LEU 9 3.146 7.088 -0.701 72 3HD2 LEU 9 HD23 LEU 9 2.354 8.636 -0.981 73 H VAL 10 HN VAL 10 -1.708 6.069 -3.853 74 HA VAL 10 HA VAL 10 -0.594 3.321 -4.074 75 HB VAL 10 HB VAL 10 -1.605 3.645 -6.470 76 1HG1 VAL 10 HG11 VAL 10 -2.975 3.183 -3.851 77 2HG1 VAL 10 HG13 VAL 10 -3.974 3.303 -5.299 78 3HG1 VAL 10 HG12 VAL 10 -2.721 2.066 -5.192 79 1HG2 VAL 10 HG21 VAL 10 -1.930 6.116 -6.127 80 2HG2 VAL 10 HG23 VAL 10 -3.408 5.268 -6.578 81 3HG2 VAL 10 HG22 VAL 10 -3.140 5.739 -4.900 82 H VAL 11 HN VAL 11 1.627 3.480 -4.353 83 HA VAL 11 HA VAL 11 2.717 5.598 -6.047 84 HB VAL 11 HB VAL 11 4.086 3.395 -4.482 85 1HG1 VAL 11 HG12 VAL 11 5.136 5.660 -6.182 86 2HG1 VAL 11 HG11 VAL 11 6.106 4.942 -4.896 87 3HG1 VAL 11 HG13 VAL 11 5.564 3.951 -6.252 88 1HG2 VAL 11 HG21 VAL 11 2.920 5.848 -3.672 89 2HG2 VAL 11 HG23 VAL 11 3.952 4.786 -2.717 90 3HG2 VAL 11 HG22 VAL 11 4.667 6.094 -3.655 91 H ASP 12 HN ASP 12 2.291 5.120 -8.191 92 HA ASP 12 HA ASP 12 3.563 2.656 -9.262 93 1HB ASP 12 HB2 ASP 12 1.109 3.203 -10.693 94 2HB ASP 12 HB1 ASP 12 1.620 1.710 -9.904 95 H ASP 13 HN ASP 13 2.772 3.033 -11.943 96 HA ASP 13 HA ASP 13 3.374 5.830 -12.648 97 1HB ASP 13 HB2 ASP 13 5.498 5.547 -13.437 98 2HB ASP 13 HB1 ASP 13 5.528 4.213 -12.283 99 H PHE 14 HN PHE 14 1.710 3.048 -13.206 100 HA PHE 14 HA PHE 14 1.695 3.118 -16.135 101 1HB PHE 14 HB2 PHE 14 0.871 1.283 -14.152 102 2HB PHE 14 HB1 PHE 14 -0.598 1.773 -14.997 103 HD1 PHE 14 HD2 PHE 14 -0.630 1.675 -17.547 104 HD2 PHE 14 HD1 PHE 14 2.434 -0.180 -15.175 105 HE1 PHE 14 HE2 PHE 14 -0.001 0.248 -19.475 106 HE2 PHE 14 HE1 PHE 14 3.063 -1.607 -17.104 107 HZ PHE 14 HZ PHE 14 1.846 -1.392 -19.254 108 H SER 15 HN SER 15 -0.151 3.774 -17.410 109 HA SER 15 HA SER 15 -1.622 6.026 -16.168 110 1HB SER 15 HB2 SER 15 -2.242 6.597 -18.486 111 2HB SER 15 HB1 SER 15 -0.498 6.397 -18.336 112 HG SER 15 HG SER 15 -0.937 4.146 -19.003 113 H THR 16 HN THR 16 -2.440 3.442 -15.306 114 HA THR 16 HA THR 16 -5.265 3.604 -15.795 115 HB THR 16 HB THR 16 -4.796 2.635 -17.955 116 HG1 THR 16 HG1 THR 16 -6.038 0.858 -17.768 117 1HG2 THR 16 HG21 THR 16 -2.690 1.323 -16.478 118 2HG2 THR 16 HG23 THR 16 -3.631 0.134 -17.379 119 3HG2 THR 16 HG22 THR 16 -2.882 1.489 -18.224 120 H MET 17 HN MET 17 -2.467 2.011 -14.512 121 HA MET 17 HA MET 17 -3.737 -0.088 -13.050 122 1HB MET 17 HB2 MET 17 -1.342 -0.110 -13.254 123 2HB MET 17 HB1 MET 17 -1.209 1.491 -12.525 124 1HG MET 17 HG2 MET 17 -1.755 0.699 -10.379 125 2HG MET 17 HG1 MET 17 -2.488 -0.776 -11.010 126 1HE MET 17 HE1 MET 17 -1.027 -1.722 -8.895 127 2HE MET 17 HE3 MET 17 -1.442 -2.784 -10.248 128 3HE MET 17 HE2 MET 17 0.169 -2.844 -9.539 129 NH1 ARG 18 NH2 ARG 18 -1.626 7.399 -14.153 130 NH2 ARG 18 NH1 ARG 18 -3.074 9.127 -13.999 131 H ARG 18 HN ARG 18 -2.949 3.264 -12.110 132 HA ARG 18 HA ARG 18 -3.886 3.157 -9.448 133 1HB ARG 18 HB2 ARG 18 -4.646 5.655 -10.710 134 2HB ARG 18 HB1 ARG 18 -3.422 5.357 -9.485 135 1HG ARG 18 HG2 ARG 18 -1.850 4.610 -11.267 136 2HG ARG 18 HG1 ARG 18 -3.079 4.983 -12.476 137 1HD ARG 18 HD2 ARG 18 -2.321 7.123 -10.526 138 2HD ARG 18 HD1 ARG 18 -1.217 6.766 -11.852 139 HE ARG 18 HE ARG 18 -4.063 7.600 -12.249 140 1HH1 ARG 18 HH21 ARG 18 -1.266 6.537 -13.796 141 2HH1 ARG 18 HH22 ARG 18 -1.237 7.798 -14.983 142 1HH2 ARG 18 HH11 ARG 18 -3.824 9.589 -13.526 143 2HH2 ARG 18 HH12 ARG 18 -2.686 9.526 -14.830 144 NH1 ARG 19 NH2 ARG 19 -7.836 6.044 -16.657 145 NH2 ARG 19 NH1 ARG 19 -9.513 7.386 -17.358 146 H ARG 19 HN ARG 19 -5.685 3.913 -12.428 147 HA ARG 19 HA ARG 19 -8.153 4.523 -11.253 148 1HB ARG 19 HB2 ARG 19 -7.234 4.258 -13.829 149 2HB ARG 19 HB1 ARG 19 -8.380 2.921 -13.708 150 1HG ARG 19 HG2 ARG 19 -10.069 4.544 -12.788 151 2HG ARG 19 HG1 ARG 19 -8.931 5.846 -13.135 152 1HD ARG 19 HD2 ARG 19 -9.093 4.270 -15.486 153 2HD ARG 19 HD1 ARG 19 -10.748 4.523 -14.935 154 HE ARG 19 HE ARG 19 -10.166 7.004 -14.909 155 1HH1 ARG 19 HH21 ARG 19 -7.452 5.422 -15.974 156 2HH1 ARG 19 HH22 ARG 19 -7.317 6.259 -17.484 157 1HH2 ARG 19 HH11 ARG 19 -10.416 7.793 -17.213 158 2HH2 ARG 19 HH12 ARG 19 -8.996 7.602 -18.186 159 H ILE 20 HN ILE 20 -6.734 1.347 -11.893 160 HA ILE 20 HA ILE 20 -9.106 -0.188 -11.455 161 HB ILE 20 HB ILE 20 -6.164 -0.766 -11.329 162 1HG1 ILE 20 HG12 ILE 20 -8.317 -2.252 -12.824 163 2HG1 ILE 20 HG11 ILE 20 -7.715 -0.707 -13.426 164 1HG2 ILE 20 HG21 ILE 20 -8.396 -2.481 -10.245 165 2HG2 ILE 20 HG23 ILE 20 -6.935 -3.208 -10.911 166 3HG2 ILE 20 HG22 ILE 20 -6.825 -2.129 -9.520 167 1HD1 ILE 20 HD11 ILE 20 -5.720 -2.786 -12.620 168 2HD1 ILE 20 HD13 ILE 20 -6.566 -2.989 -14.154 169 3HD1 ILE 20 HD12 ILE 20 -5.599 -1.542 -13.864 170 H VAL 21 HN VAL 21 -6.495 0.732 -9.174 171 HA VAL 21 HA VAL 21 -7.914 -0.473 -6.935 172 HB VAL 21 HB VAL 21 -6.006 1.326 -5.920 173 1HG1 VAL 21 HG13 VAL 21 -5.897 -1.623 -6.604 174 2HG1 VAL 21 HG12 VAL 21 -4.712 -0.806 -5.585 175 3HG1 VAL 21 HG11 VAL 21 -6.396 -0.912 -5.070 176 1HG2 VAL 21 HG21 VAL 21 -5.241 1.650 -8.269 177 2HG2 VAL 21 HG23 VAL 21 -4.022 0.846 -7.280 178 3HG2 VAL 21 HG22 VAL 21 -4.999 -0.093 -8.409 179 NH1 ARG 22 NH2 ARG 22 -9.403 9.014 -8.655 180 NH2 ARG 22 NH1 ARG 22 -9.908 8.615 -10.821 181 H ARG 22 HN ARG 22 -7.533 2.827 -8.192 182 HA ARG 22 HA ARG 22 -8.576 4.317 -6.059 183 1HB ARG 22 HB2 ARG 22 -8.366 4.620 -8.956 184 2HB ARG 22 HB1 ARG 22 -9.775 5.445 -8.299 185 1HG ARG 22 HG2 ARG 22 -8.448 6.762 -6.826 186 2HG ARG 22 HG1 ARG 22 -7.028 5.743 -7.071 187 1HD ARG 22 HD2 ARG 22 -7.195 8.033 -8.342 188 2HD ARG 22 HD1 ARG 22 -6.608 6.608 -9.200 189 HE ARG 22 HE ARG 22 -8.780 6.444 -10.303 190 1HH1 ARG 22 HH21 ARG 22 -8.934 8.749 -7.811 191 2HH1 ARG 22 HH22 ARG 22 -9.952 9.850 -8.680 192 1HH2 ARG 22 HH11 ARG 22 -9.827 8.045 -11.638 193 2HH2 ARG 22 HH12 ARG 22 -10.457 9.451 -10.847 194 H ASN 23 HN ASN 23 -10.426 2.821 -8.720 195 HA ASN 23 HA ASN 23 -13.013 3.417 -7.678 196 1HB ASN 23 HB2 ASN 23 -11.886 2.276 -9.942 197 2HB ASN 23 HB1 ASN 23 -12.757 0.959 -9.207 198 1HD2 ASN 23 HD22 ASN 23 -14.829 4.058 -10.857 199 2HD2 ASN 23 HD21 ASN 23 -13.136 4.107 -10.743 200 H LEU 24 HN LEU 24 -11.192 0.385 -7.791 201 HA LEU 24 HA LEU 24 -12.736 -1.378 -6.397 202 1HB LEU 24 HB2 LEU 24 -10.342 -1.658 -7.242 203 2HB LEU 24 HB1 LEU 24 -9.831 -0.964 -5.714 204 HG LEU 24 HG LEU 24 -11.737 -3.018 -5.126 205 1HD1 LEU 24 HD12 LEU 24 -9.586 -3.849 -7.096 206 2HD1 LEU 24 HD11 LEU 24 -10.497 -4.979 -6.097 207 3HD1 LEU 24 HD13 LEU 24 -11.332 -3.998 -7.301 208 1HD2 LEU 24 HD21 LEU 24 -8.805 -2.572 -4.641 209 2HD2 LEU 24 HD23 LEU 24 -10.122 -2.744 -3.485 210 3HD2 LEU 24 HD22 LEU 24 -9.485 -4.159 -4.315 211 H LEU 25 HN LEU 25 -10.453 0.826 -4.707 212 HA LEU 25 HA LEU 25 -11.335 0.258 -2.072 213 1HB LEU 25 HB2 LEU 25 -9.967 2.572 -3.386 214 2HB LEU 25 HB1 LEU 25 -10.622 2.810 -1.773 215 HG LEU 25 HG LEU 25 -9.002 0.350 -2.287 216 1HD1 LEU 25 HD13 LEU 25 -7.895 3.146 -1.898 217 2HD1 LEU 25 HD12 LEU 25 -6.953 1.673 -1.669 218 3HD1 LEU 25 HD11 LEU 25 -7.597 2.068 -3.263 219 1HD2 LEU 25 HD21 LEU 25 -10.154 0.754 -0.117 220 2HD2 LEU 25 HD23 LEU 25 -8.401 0.711 0.070 221 3HD2 LEU 25 HD22 LEU 25 -9.249 2.258 0.064 222 H LYS 26 HN LYS 26 -12.402 2.898 -4.248 223 HA LYS 26 HA LYS 26 -14.368 3.984 -2.575 224 1HB LYS 26 HB2 LYS 26 -13.627 4.912 -4.798 225 2HB LYS 26 HB1 LYS 26 -14.616 3.675 -5.577 226 1HG LYS 26 HG2 LYS 26 -16.314 4.821 -3.673 227 2HG LYS 26 HG1 LYS 26 -15.436 6.190 -4.358 228 1HD LYS 26 HD2 LYS 26 -16.037 5.455 -6.629 229 2HD LYS 26 HD1 LYS 26 -16.896 4.067 -5.961 230 1HE LYS 26 HE2 LYS 26 -17.689 6.666 -4.809 231 2HE LYS 26 HE1 LYS 26 -18.071 6.474 -6.520 232 1HZ LYS 26 HZ1 LYS 26 -18.976 4.209 -5.814 233 2HZ LYS 26 HZ3 LYS 26 -18.959 4.830 -4.236 234 3HZ LYS 26 HZ2 LYS 26 -19.898 5.584 -5.434 235 H GLU 27 HN GLU 27 -14.499 1.122 -4.635 236 HA GLU 27 HA GLU 27 -17.264 0.635 -4.593 237 1HB GLU 27 HB2 GLU 27 -15.111 -0.699 -5.589 238 2HB GLU 27 HB1 GLU 27 -15.541 -1.744 -4.234 239 1HG GLU 27 HG2 GLU 27 -17.883 -1.818 -5.055 240 2HG GLU 27 HG1 GLU 27 -17.413 -0.828 -6.438 241 H LEU 28 HN LEU 28 -14.855 0.222 -2.082 242 HA LEU 28 HA LEU 28 -16.714 -1.289 -0.368 243 1HB LEU 28 HB2 LEU 28 -14.023 -0.126 0.375 244 2HB LEU 28 HB1 LEU 28 -14.889 -1.428 1.191 245 HG LEU 28 HG LEU 28 -13.788 -1.528 -1.633 246 1HD1 LEU 28 HD11 LEU 28 -12.897 -2.694 1.006 247 2HD1 LEU 28 HD13 LEU 28 -12.410 -3.408 -0.531 248 3HD1 LEU 28 HD12 LEU 28 -11.954 -1.748 -0.146 249 1HD2 LEU 28 HD23 LEU 28 -15.531 -3.354 -0.005 250 2HD2 LEU 28 HD22 LEU 28 -15.647 -2.938 -1.714 251 3HD2 LEU 28 HD21 LEU 28 -14.398 -4.051 -1.161 252 H GLY 29 HN GLY 29 -14.873 1.741 0.084 253 1HA GLY 29 HA2 GLY 29 -16.942 3.476 0.648 254 2HA GLY 29 HA1 GLY 29 -16.644 2.634 2.163 255 H PHE 30 HN PHE 30 -14.742 4.242 -0.412 256 HA PHE 30 HA PHE 30 -13.345 5.798 1.678 257 1HB PHE 30 HB2 PHE 30 -11.895 3.970 -0.255 258 2HB PHE 30 HB1 PHE 30 -11.114 5.120 0.822 259 HD1 PHE 30 HD2 PHE 30 -11.188 4.790 3.271 260 HD2 PHE 30 HD1 PHE 30 -12.829 1.904 0.568 261 HE1 PHE 30 HE2 PHE 30 -11.241 3.115 5.099 262 HE2 PHE 30 HE1 PHE 30 -12.890 0.222 2.391 263 HZ PHE 30 HZ PHE 30 -12.096 0.829 4.659 264 H ASN 31 HN ASN 31 -12.498 7.757 0.850 265 HA ASN 31 HA ASN 31 -12.516 8.181 -2.075 266 1HB ASN 31 HB2 ASN 31 -14.847 8.688 -1.090 267 2HB ASN 31 HB1 ASN 31 -14.079 10.073 -0.316 268 1HD2 ASN 31 HD22 ASN 31 -15.318 10.666 -3.969 269 2HD2 ASN 31 HD21 ASN 31 -16.011 9.650 -2.799 270 H ASN 32 HN ASN 32 -10.186 8.209 -1.086 271 HA ASN 32 HA ASN 32 -9.235 10.920 -1.140 272 1HB ASN 32 HB2 ASN 32 -10.229 10.644 1.252 273 2HB ASN 32 HB1 ASN 32 -8.833 9.609 1.549 274 1HD2 ASN 32 HD22 ASN 32 -8.293 13.498 1.927 275 2HD2 ASN 32 HD21 ASN 32 -9.773 12.685 2.092 276 H VAL 33 HN VAL 33 -7.671 10.152 -2.591 277 HA VAL 33 HA VAL 33 -5.529 8.521 -1.382 278 HB VAL 33 HB VAL 33 -6.911 6.802 -2.341 279 1HG1 VAL 33 HG13 VAL 33 -7.461 8.882 -4.278 280 2HG1 VAL 33 HG12 VAL 33 -7.009 7.384 -5.090 281 3HG1 VAL 33 HG11 VAL 33 -8.359 7.399 -3.955 282 1HG2 VAL 33 HG23 VAL 33 -4.320 7.057 -2.974 283 2HG2 VAL 33 HG22 VAL 33 -5.304 5.748 -3.623 284 3HG2 VAL 33 HG21 VAL 33 -4.993 7.183 -4.598 285 H GLU 34 HN GLU 34 -3.488 8.735 -2.474 286 HA GLU 34 HA GLU 34 -3.450 10.834 -4.610 287 1HB GLU 34 HB2 GLU 34 -1.928 10.596 -2.073 288 2HB GLU 34 HB1 GLU 34 -1.004 11.102 -3.487 289 1HG GLU 34 HG2 GLU 34 -3.634 12.379 -2.706 290 2HG GLU 34 HG1 GLU 34 -2.073 12.994 -2.163 291 H GLU 35 HN GLU 35 -0.784 10.618 -5.312 292 HA GLU 35 HA GLU 35 -0.271 7.760 -5.828 293 1HB GLU 35 HB2 GLU 35 -1.837 8.748 -7.628 294 2HB GLU 35 HB1 GLU 35 -0.421 9.651 -8.169 295 1HG GLU 35 HG2 GLU 35 0.637 7.149 -7.925 296 2HG GLU 35 HG1 GLU 35 -1.016 6.764 -8.404 297 H ALA 36 HN ALA 36 1.867 7.348 -6.562 298 HA ALA 36 HA ALA 36 3.703 9.665 -6.789 299 1HB ALA 36 HB2 ALA 36 3.506 7.959 -4.459 300 2HB ALA 36 HB1 ALA 36 5.093 7.792 -5.207 301 3HB ALA 36 HB3 ALA 36 4.515 9.380 -4.704 302 H GLU 37 HN GLU 37 5.936 8.821 -7.506 303 HA GLU 37 HA GLU 37 5.592 6.367 -9.197 304 1HB GLU 37 HB2 GLU 37 7.258 8.807 -9.864 305 2HB GLU 37 HB1 GLU 37 6.932 7.425 -10.911 306 1HG GLU 37 HG2 GLU 37 4.549 7.975 -10.949 307 2HG GLU 37 HG1 GLU 37 4.817 9.307 -9.826 308 H ASP 38 HN ASP 38 7.041 7.292 -6.477 309 HA ASP 38 HA ASP 38 9.023 5.262 -6.483 310 1HB ASP 38 HB2 ASP 38 11.059 6.841 -6.411 311 2HB ASP 38 HB1 ASP 38 10.388 6.494 -8.002 312 H GLY 39 HN GLY 39 10.770 5.991 -4.595 313 1HA GLY 39 HA2 GLY 39 9.061 6.531 -2.310 314 2HA GLY 39 HA1 GLY 39 10.808 6.295 -2.243 315 H VAL 40 HN VAL 40 11.496 8.365 -4.123 316 HA VAL 40 HA VAL 40 11.636 10.629 -2.431 317 HB VAL 40 HB VAL 40 11.516 10.918 -5.428 318 1HG1 VAL 40 HG13 VAL 40 12.062 12.700 -3.466 319 2HG1 VAL 40 HG12 VAL 40 13.679 12.052 -3.736 320 3HG1 VAL 40 HG11 VAL 40 12.790 12.787 -5.070 321 1HG2 VAL 40 HG22 VAL 40 13.644 9.542 -3.774 322 2HG2 VAL 40 HG21 VAL 40 12.828 8.933 -5.214 323 3HG2 VAL 40 HG23 VAL 40 13.992 10.251 -5.351 324 H ASP 41 HN ASP 41 9.207 9.610 -4.778 325 HA ASP 41 HA ASP 41 7.641 12.072 -4.479 326 1HB ASP 41 HB2 ASP 41 7.792 10.489 -6.542 327 2HB ASP 41 HB1 ASP 41 6.633 9.497 -5.667 328 H ALA 42 HN ALA 42 7.302 8.643 -3.520 329 HA ALA 42 HA ALA 42 4.841 8.842 -2.161 330 1HB ALA 42 HB3 ALA 42 6.708 6.858 -2.525 331 2HB ALA 42 HB2 ALA 42 6.855 7.173 -0.799 332 3HB ALA 42 HB1 ALA 42 5.298 6.717 -1.483 333 H LEU 43 HN LEU 43 8.119 9.159 -0.749 334 HA LEU 43 HA LEU 43 7.265 9.945 1.840 335 1HB LEU 43 HB2 LEU 43 9.748 9.783 0.386 336 2HB LEU 43 HB1 LEU 43 9.692 11.307 1.267 337 HG LEU 43 HG LEU 43 10.682 9.503 2.638 338 1HD1 LEU 43 HD11 LEU 43 8.670 11.294 3.378 339 2HD1 LEU 43 HD13 LEU 43 8.178 9.765 4.106 340 3HD1 LEU 43 HD12 LEU 43 9.764 10.446 4.470 341 1HD2 LEU 43 HD23 LEU 43 8.658 7.952 1.463 342 2HD2 LEU 43 HD22 LEU 43 9.788 7.433 2.714 343 3HD2 LEU 43 HD21 LEU 43 8.207 8.071 3.164 344 H ASN 44 HN ASN 44 8.493 12.095 -0.770 345 HA ASN 44 HA ASN 44 7.900 14.538 0.487 346 1HB ASN 44 HB2 ASN 44 7.987 13.698 -2.400 347 2HB ASN 44 HB1 ASN 44 7.527 15.341 -1.964 348 1HD2 ASN 44 HD22 ASN 44 11.388 14.562 -2.159 349 2HD2 ASN 44 HD21 ASN 44 10.165 13.730 -2.992 350 H LYS 45 HN LYS 45 5.754 12.352 -1.246 351 HA LYS 45 HA LYS 45 3.526 14.268 -1.091 352 1HB LYS 45 HB2 LYS 45 4.006 12.565 -3.010 353 2HB LYS 45 HB1 LYS 45 3.270 11.388 -1.928 354 1HG LYS 45 HG2 LYS 45 1.523 12.252 -3.358 355 2HG LYS 45 HG1 LYS 45 1.267 12.899 -1.739 356 1HD LYS 45 HD2 LYS 45 1.727 15.045 -2.380 357 2HD LYS 45 HD1 LYS 45 2.977 14.552 -3.520 358 1HE LYS 45 HE2 LYS 45 1.317 13.885 -5.150 359 2HE LYS 45 HE1 LYS 45 0.012 14.152 -3.995 360 1HZ LYS 45 HZ2 LYS 45 1.823 16.381 -4.529 361 2HZ LYS 45 HZ1 LYS 45 0.713 15.972 -5.747 362 3HZ LYS 45 HZ3 LYS 45 0.156 16.391 -4.202 363 H LEU 46 HN LEU 46 4.839 11.823 0.931 364 HA LEU 46 HA LEU 46 2.260 11.145 2.129 365 1HB LEU 46 HB2 LEU 46 4.968 10.130 2.306 366 2HB LEU 46 HB1 LEU 46 4.350 10.443 3.919 367 HG LEU 46 HG LEU 46 2.289 9.079 2.410 368 1HD1 LEU 46 HD12 LEU 46 4.984 7.741 2.406 369 2HD1 LEU 46 HD11 LEU 46 3.459 6.990 1.948 370 3HD1 LEU 46 HD13 LEU 46 4.119 8.314 0.987 371 1HD2 LEU 46 HD22 LEU 46 4.074 8.301 4.728 372 2HD2 LEU 46 HD21 LEU 46 2.442 8.968 4.820 373 3HD2 LEU 46 HD23 LEU 46 2.702 7.346 4.178 374 H GLN 47 HN GLN 47 4.857 13.407 2.706 375 HA GLN 47 HA GLN 47 4.318 14.116 5.389 376 1HB GLN 47 HB2 GLN 47 6.230 15.011 4.083 377 2HB GLN 47 HB1 GLN 47 5.107 15.958 3.108 378 1HG GLN 47 HG2 GLN 47 4.706 16.344 5.983 379 2HG GLN 47 HG1 GLN 47 6.319 16.814 5.449 380 1HE2 GLN 47 HE22 GLN 47 4.846 19.187 3.001 381 2HE2 GLN 47 HE21 GLN 47 5.922 17.875 2.940 382 H ALA 48 HN ALA 48 2.276 14.247 2.729 383 HA ALA 48 HA ALA 48 0.800 16.575 2.904 384 1HB ALA 48 HB3 ALA 48 0.436 14.361 1.505 385 2HB ALA 48 HB2 ALA 48 -0.708 13.989 2.795 386 3HB ALA 48 HB1 ALA 48 -0.916 15.447 1.824 387 H GLY 49 HN GLY 49 -0.282 13.623 4.663 388 1HA GLY 49 HA2 GLY 49 -0.652 15.240 7.099 389 2HA GLY 49 HA1 GLY 49 -2.142 14.674 6.348 390 H GLY 50 HN GLY 50 0.529 12.557 5.922 391 1HA GLY 50 HA2 GLY 50 1.187 10.629 7.173 392 2HA GLY 50 HA1 GLY 50 -0.035 11.031 8.385 393 OH TYR 51 OH TYR 51 -1.601 11.913 -0.153 394 H TYR 51 HN TYR 51 0.560 9.390 5.371 395 HA TYR 51 HA TYR 51 -2.200 8.802 4.780 396 1HB TYR 51 HB2 TYR 51 0.447 7.746 3.843 397 2HB TYR 51 HB1 TYR 51 -1.049 6.940 3.372 398 HD1 TYR 51 HD1 TYR 51 0.605 10.275 3.482 399 HD2 TYR 51 HD2 TYR 51 -2.367 7.798 1.642 400 HE1 TYR 51 HE1 TYR 51 0.160 12.053 1.803 401 HE2 TYR 51 HE2 TYR 51 -2.816 9.565 -0.039 402 HH TYR 51 HH TYR 51 -2.472 11.760 -0.526 403 H GLY 52 HN GLY 52 -3.347 7.734 6.317 404 1HA GLY 52 HA2 GLY 52 -2.333 5.842 8.155 405 2HA GLY 52 HA1 GLY 52 -4.011 5.939 7.664 406 H PHE 53 HN PHE 53 -2.688 5.609 4.788 407 HA PHE 53 HA PHE 53 -2.081 2.715 4.914 408 1HB PHE 53 HB2 PHE 53 -4.681 3.684 4.475 409 2HB PHE 53 HB1 PHE 53 -4.081 3.237 2.881 410 HD1 PHE 53 HD2 PHE 53 -4.528 1.980 6.357 411 HD2 PHE 53 HD1 PHE 53 -3.914 0.966 2.248 412 HE1 PHE 53 HE2 PHE 53 -4.987 -0.381 6.870 413 HE2 PHE 53 HE1 PHE 53 -4.404 -1.383 2.742 414 HZ PHE 53 HZ PHE 53 -4.924 -2.086 5.069 415 H VAL 54 HN VAL 54 -0.680 2.143 3.228 416 HA VAL 54 HA VAL 54 -0.626 3.881 0.827 417 HB VAL 54 HB VAL 54 1.024 4.919 2.325 418 1HG1 VAL 54 HG11 VAL 54 1.608 2.249 3.011 419 2HG1 VAL 54 HG13 VAL 54 3.049 2.892 2.225 420 3HG1 VAL 54 HG12 VAL 54 2.370 3.713 3.630 421 1HG2 VAL 54 HG21 VAL 54 1.415 4.136 -0.313 422 2HG2 VAL 54 HG23 VAL 54 2.360 5.332 0.562 423 3HG2 VAL 54 HG22 VAL 54 2.913 3.665 0.482 424 H ILE 55 HN ILE 55 -0.302 2.760 -0.967 425 HA ILE 55 HA ILE 55 0.432 -0.126 -0.733 426 HB ILE 55 HB ILE 55 -1.107 1.167 -2.991 427 1HG1 ILE 55 HG12 ILE 55 -2.181 0.023 -0.394 428 2HG1 ILE 55 HG11 ILE 55 -2.328 1.691 -0.945 429 1HG2 ILE 55 HG22 ILE 55 -0.057 -1.368 -2.642 430 2HG2 ILE 55 HG21 ILE 55 -1.741 -1.567 -2.160 431 3HG2 ILE 55 HG23 ILE 55 -1.349 -0.940 -3.760 432 1HD1 ILE 55 HD13 ILE 55 -3.398 0.478 -3.081 433 2HD1 ILE 55 HD12 ILE 55 -3.781 -0.744 -1.868 434 3HD1 ILE 55 HD11 ILE 55 -4.366 0.907 -1.672 435 H SER 56 HN SER 56 1.699 -1.010 -2.537 436 HA SER 56 HA SER 56 3.000 0.954 -4.330 437 1HB SER 56 HB2 SER 56 5.240 0.278 -3.736 438 2HB SER 56 HB1 SER 56 4.417 0.750 -2.252 439 HG SER 56 HG SER 56 5.496 -1.237 -1.999 440 H ASP 57 HN ASP 57 4.386 -0.292 -5.993 441 HA ASP 57 HA ASP 57 2.814 -2.660 -6.822 442 1HB ASP 57 HB2 ASP 57 3.615 -0.573 -8.281 443 2HB ASP 57 HB1 ASP 57 5.048 -1.580 -8.485 444 CH2 TRP 58 CH2 TRP 58 9.678 -5.452 -0.404 445 H TRP 58 HN TRP 58 5.948 -1.906 -5.510 446 HA TRP 58 HA TRP 58 7.748 -3.303 -4.938 447 1HB TRP 58 HB2 TRP 58 5.725 -4.619 -4.019 448 2HB TRP 58 HB1 TRP 58 5.913 -5.647 -5.435 449 HD1 TRP 58 HD1 TRP 58 7.926 -7.298 -5.509 450 HE1 TRP 58 HE1 TRP 58 9.687 -8.021 -3.773 451 HE3 TRP 58 HE3 TRP 58 7.183 -3.710 -1.945 452 HZ2 TRP 58 HZ2 TRP 58 10.650 -7.194 -1.211 453 HZ3 TRP 58 HZ3 TRP 58 8.532 -3.709 0.133 454 HH2 TRP 58 HH2 TRP 58 10.263 -5.448 0.504 455 H ASN 59 HN ASN 59 7.404 -2.547 -7.745 456 HA ASN 59 HA ASN 59 9.344 -4.277 -8.927 457 1HB ASN 59 HB2 ASN 59 7.708 -5.161 -10.759 458 2HB ASN 59 HB1 ASN 59 7.760 -5.991 -9.205 459 1HD2 ASN 59 HD22 ASN 59 4.263 -5.569 -9.005 460 2HD2 ASN 59 HD21 ASN 59 5.570 -6.652 -9.018 461 H MET 60 HN MET 60 9.192 -1.541 -8.766 462 HA MET 60 HA MET 60 9.675 -0.690 -11.396 463 1HB MET 60 HB2 MET 60 6.857 -0.839 -10.868 464 2HB MET 60 HB1 MET 60 7.313 0.855 -11.039 465 1HG MET 60 HG2 MET 60 8.086 -1.322 -13.000 466 2HG MET 60 HG1 MET 60 6.729 -0.219 -13.219 467 1HE MET 60 HE3 MET 60 8.826 -0.629 -15.287 468 2HE MET 60 HE2 MET 60 10.198 0.472 -15.368 469 3HE MET 60 HE1 MET 60 10.224 -0.876 -14.232 470 HA PRO 61 HA PRO 61 9.205 3.202 -8.584 471 1HB PRO 61 HB2 PRO 61 8.829 2.346 -5.864 472 2HB PRO 61 HB1 PRO 61 7.749 3.339 -6.852 473 1HG PRO 61 HG2 PRO 61 7.328 0.632 -6.022 474 2HG PRO 61 HG1 PRO 61 6.305 1.598 -7.094 475 1HD PRO 61 HD2 PRO 61 8.072 -0.594 -7.773 476 2HD PRO 61 HD1 PRO 61 6.930 0.267 -8.819 477 H ASN 62 HN ASN 62 11.310 3.814 -8.352 478 HA ASN 62 HA ASN 62 13.625 3.599 -7.942 479 1HB ASN 62 HB2 ASN 62 14.133 3.582 -5.600 480 2HB ASN 62 HB1 ASN 62 12.572 4.384 -5.764 481 1HD2 ASN 62 HD22 ASN 62 10.767 1.804 -4.103 482 2HD2 ASN 62 HD21 ASN 62 10.636 3.172 -5.099 483 H MET 63 HN MET 63 14.650 1.722 -5.816 484 HA MET 63 HA MET 63 15.545 -0.400 -7.387 485 1HB MET 63 HB2 MET 63 14.832 -0.845 -4.489 486 2HB MET 63 HB1 MET 63 16.214 -1.466 -5.391 487 1HG MET 63 HG2 MET 63 16.766 1.112 -5.677 488 2HG MET 63 HG1 MET 63 15.786 1.255 -4.218 489 1HE MET 63 HE2 MET 63 18.450 -0.882 -5.934 490 2HE MET 63 HE1 MET 63 19.249 0.654 -5.610 491 3HE MET 63 HE3 MET 63 19.808 -0.823 -4.812 492 H ASP 64 HN ASP 64 12.913 -0.748 -4.983 493 HA ASP 64 HA ASP 64 11.311 -2.254 -6.952 494 1HB ASP 64 HB2 ASP 64 11.068 -4.093 -5.074 495 2HB ASP 64 HB1 ASP 64 12.425 -4.161 -6.199 496 H GLY 65 HN GLY 65 11.715 -1.094 -3.640 497 1HA GLY 65 HA2 GLY 65 9.728 0.558 -3.163 498 2HA GLY 65 HA1 GLY 65 8.760 -0.906 -3.319 499 H LEU 66 HN LEU 66 11.610 -1.988 -2.126 500 HA LEU 66 HA LEU 66 10.523 -2.319 0.544 501 1HB LEU 66 HB2 LEU 66 11.983 -4.064 -0.268 502 2HB LEU 66 HB1 LEU 66 13.258 -2.904 -0.635 503 HG LEU 66 HG LEU 66 13.672 -2.479 1.690 504 1HD1 LEU 66 HD11 LEU 66 11.074 -3.965 2.112 505 2HD1 LEU 66 HD13 LEU 66 12.245 -3.778 3.414 506 3HD1 LEU 66 HD12 LEU 66 11.516 -2.355 2.674 507 1HD2 LEU 66 HD21 LEU 66 14.613 -4.593 0.821 508 2HD2 LEU 66 HD23 LEU 66 14.218 -4.729 2.535 509 3HD2 LEU 66 HD22 LEU 66 13.155 -5.447 1.323 510 H GLU 67 HN GLU 67 13.508 -0.688 -0.602 511 HA GLU 67 HA GLU 67 14.135 0.740 1.714 512 1HB GLU 67 HB2 GLU 67 15.451 0.758 -0.432 513 2HB GLU 67 HB1 GLU 67 14.247 1.855 -1.109 514 1HG GLU 67 HG2 GLU 67 14.792 3.580 0.434 515 2HG GLU 67 HG1 GLU 67 15.690 2.475 1.474 516 H LEU 68 HN LEU 68 11.528 1.205 -0.534 517 HA LEU 68 HA LEU 68 10.766 3.868 0.299 518 1HB LEU 68 HB2 LEU 68 10.151 2.504 -1.858 519 2HB LEU 68 HB1 LEU 68 8.888 1.808 -0.860 520 HG LEU 68 HG LEU 68 9.084 4.777 -0.869 521 1HD1 LEU 68 HD11 LEU 68 8.128 3.090 -3.200 522 2HD1 LEU 68 HD13 LEU 68 7.695 4.785 -2.988 523 3HD1 LEU 68 HD12 LEU 68 9.382 4.326 -3.233 524 1HD2 LEU 68 HD21 LEU 68 7.368 3.185 0.321 525 2HD2 LEU 68 HD23 LEU 68 6.778 4.637 -0.483 526 3HD2 LEU 68 HD22 LEU 68 6.643 3.070 -1.280 527 H LEU 69 HN LEU 69 9.884 0.590 1.257 528 HA LEU 69 HA LEU 69 7.878 1.570 3.178 529 1HB LEU 69 HB2 LEU 69 7.053 -0.360 2.277 530 2HB LEU 69 HB1 LEU 69 8.650 -1.003 1.933 531 HG LEU 69 HG LEU 69 8.894 -1.594 4.349 532 1HD1 LEU 69 HD13 LEU 69 6.790 0.191 4.703 533 2HD1 LEU 69 HD12 LEU 69 6.024 -1.383 4.869 534 3HD1 LEU 69 HD11 LEU 69 7.375 -0.949 5.912 535 1HD2 LEU 69 HD23 LEU 69 7.923 -3.132 2.593 536 2HD2 LEU 69 HD22 LEU 69 7.450 -3.489 4.251 537 3HD2 LEU 69 HD21 LEU 69 6.329 -2.653 3.178 538 H LYS 70 HN LYS 70 11.107 0.138 3.198 539 HA LYS 70 HA LYS 70 11.341 -0.356 5.981 540 1HB LYS 70 HB2 LYS 70 12.976 -1.042 4.157 541 2HB LYS 70 HB1 LYS 70 13.579 0.615 4.191 542 1HG LYS 70 HG2 LYS 70 13.933 0.318 6.689 543 2HG LYS 70 HG1 LYS 70 13.600 -1.398 6.451 544 1HD LYS 70 HD2 LYS 70 15.848 -1.532 6.094 545 2HD LYS 70 HD1 LYS 70 15.430 -0.960 4.478 546 1HE LYS 70 HE2 LYS 70 15.647 1.414 5.452 547 2HE LYS 70 HE1 LYS 70 16.450 0.648 6.822 548 1HZ LYS 70 HZ2 LYS 70 17.415 -0.238 4.259 549 2HZ LYS 70 HZ1 LYS 70 17.669 1.417 4.543 550 3HZ LYS 70 HZ3 LYS 70 18.281 0.268 5.630 551 H THR 71 HN THR 71 12.264 2.553 4.106 552 HA THR 71 HA THR 71 13.206 4.149 6.197 553 HB THR 71 HB THR 71 11.340 5.295 4.126 554 HG1 THR 71 HG1 THR 71 14.012 4.436 3.733 555 1HG2 THR 71 HG23 THR 71 12.632 6.607 5.972 556 2HG2 THR 71 HG22 THR 71 14.047 6.306 4.961 557 3HG2 THR 71 HG21 THR 71 12.678 7.212 4.316 558 H ILE 72 HN ILE 72 9.813 3.655 5.206 559 HA ILE 72 HA ILE 72 8.614 5.417 7.076 560 HB ILE 72 HB ILE 72 7.655 2.828 5.847 561 1HG1 ILE 72 HG12 ILE 72 6.554 5.590 5.382 562 2HG1 ILE 72 HG11 ILE 72 8.039 5.095 4.571 563 1HG2 ILE 72 HG22 ILE 72 6.418 4.572 7.925 564 2HG2 ILE 72 HG21 ILE 72 5.367 3.968 6.645 565 3HG2 ILE 72 HG23 ILE 72 6.247 2.835 7.670 566 1HD1 ILE 72 HD13 ILE 72 5.867 3.097 4.427 567 2HD1 ILE 72 HD12 ILE 72 5.511 4.617 3.611 568 3HD1 ILE 72 HD11 ILE 72 6.939 3.693 3.159 569 NH1 ARG 73 NH1 ARG 73 14.685 -0.769 10.140 570 NH2 ARG 73 NH2 ARG 73 14.030 -2.917 10.405 571 H ARG 73 HN ARG 73 9.708 2.061 7.431 572 HA ARG 73 HA ARG 73 8.630 1.657 10.060 573 1HB ARG 73 HB2 ARG 73 9.418 -0.203 8.637 574 2HB ARG 73 HB1 ARG 73 11.072 0.396 8.775 575 1HG ARG 73 HG2 ARG 73 9.741 0.068 11.371 576 2HG ARG 73 HG1 ARG 73 9.902 -1.441 10.475 577 1HD ARG 73 HD2 ARG 73 12.180 0.493 10.982 578 2HD ARG 73 HD1 ARG 73 11.878 -0.962 11.931 579 HE ARG 73 HE ARG 73 12.052 -1.587 9.117 580 1HH1 ARG 73 HH11 ARG 73 14.461 0.188 9.956 581 2HH1 ARG 73 HH12 ARG 73 15.633 -1.037 10.305 582 1HH2 ARG 73 HH21 ARG 73 13.304 -3.605 10.424 583 2HH2 ARG 73 HH22 ARG 73 14.978 -3.186 10.571 584 H ALA 74 HN ALA 74 11.962 2.489 9.032 585 HA ALA 74 HA ALA 74 13.166 2.788 11.513 586 1HB ALA 74 HB2 ALA 74 13.491 4.319 8.944 587 2HB ALA 74 HB1 ALA 74 14.436 4.754 10.368 588 3HB ALA 74 HB3 ALA 74 14.580 3.140 9.673 589 H ASP 75 HN ASP 75 11.194 5.232 9.836 590 HA ASP 75 HA ASP 75 11.445 7.388 11.570 591 1HB ASP 75 HB2 ASP 75 9.192 6.336 9.916 592 2HB ASP 75 HB1 ASP 75 8.827 7.605 11.086 593 H GLY 76 HN GLY 76 10.943 7.757 13.685 594 1HA GLY 76 HA2 GLY 76 9.669 5.564 15.204 595 2HA GLY 76 HA1 GLY 76 10.486 6.965 15.900 596 H ALA 77 HN ALA 77 7.918 6.945 13.443 597 HA ALA 77 HA ALA 77 5.999 8.018 15.430 598 1HB ALA 77 HB3 ALA 77 7.219 9.550 13.179 599 2HB ALA 77 HB2 ALA 77 5.495 9.776 13.467 600 3HB ALA 77 HB1 ALA 77 6.655 10.121 14.749 601 H MET 78 HN MET 78 6.746 6.328 12.554 602 HA MET 78 HA MET 78 3.861 5.669 12.197 603 1HB MET 78 HB2 MET 78 5.329 5.692 9.670 604 2HB MET 78 HB1 MET 78 3.775 6.423 10.065 605 1HG MET 78 HG2 MET 78 4.975 8.307 11.164 606 2HG MET 78 HG1 MET 78 6.508 7.590 10.668 607 1HE MET 78 HE2 MET 78 5.310 10.475 10.137 608 2HE MET 78 HE1 MET 78 4.602 10.763 8.549 609 3HE MET 78 HE3 MET 78 3.671 9.923 9.797 610 H SER 79 HN SER 79 6.114 4.273 13.485 611 HA SER 79 HA SER 79 7.053 2.185 11.716 612 1HB SER 79 HB2 SER 79 6.999 2.546 14.707 613 2HB SER 79 HB1 SER 79 7.520 1.023 13.992 614 HG SER 79 HG SER 79 8.596 3.617 13.582 615 H ALA 80 HN ALA 80 4.052 2.688 11.971 616 HA ALA 80 HA ALA 80 3.326 -0.166 12.160 617 1HB ALA 80 HB3 ALA 80 2.199 1.992 13.948 618 2HB ALA 80 HB2 ALA 80 1.304 0.513 13.599 619 3HB ALA 80 HB1 ALA 80 2.867 0.427 14.414 620 H LEU 81 HN LEU 81 3.335 2.445 10.341 621 HA LEU 81 HA LEU 81 0.604 2.852 9.626 622 1HB LEU 81 HB2 LEU 81 2.836 4.169 9.005 623 2HB LEU 81 HB1 LEU 81 2.734 3.159 7.566 624 HG LEU 81 HG LEU 81 0.351 3.928 7.271 625 1HD1 LEU 81 HD13 LEU 81 1.053 5.409 9.755 626 2HD1 LEU 81 HD12 LEU 81 0.166 6.319 8.534 627 3HD1 LEU 81 HD11 LEU 81 -0.514 4.832 9.191 628 1HD2 LEU 81 HD21 LEU 81 2.813 5.424 6.878 629 2HD2 LEU 81 HD23 LEU 81 1.435 5.241 5.794 630 3HD2 LEU 81 HD22 LEU 81 1.426 6.503 7.026 631 HA PRO 82 HA PRO 82 0.221 -1.245 7.708 632 1HB PRO 82 HB2 PRO 82 -2.249 -0.477 6.455 633 2HB PRO 82 HB1 PRO 82 -2.012 -1.560 7.823 634 1HG PRO 82 HG2 PRO 82 -3.081 1.099 7.878 635 2HG PRO 82 HG1 PRO 82 -2.798 0.028 9.250 636 1HD PRO 82 HD2 PRO 82 -1.337 2.396 8.517 637 2HD PRO 82 HD1 PRO 82 -1.062 1.322 9.908 638 H VAL 83 HN VAL 83 1.103 -1.877 5.848 639 HA VAL 83 HA VAL 83 0.915 -0.103 3.438 640 HB VAL 83 HB VAL 83 3.172 -1.792 4.519 641 1HG1 VAL 83 HG12 VAL 83 2.499 -1.200 1.620 642 2HG1 VAL 83 HG11 VAL 83 4.174 -1.378 2.132 643 3HG1 VAL 83 HG13 VAL 83 3.049 -2.718 2.326 644 1HG2 VAL 83 HG23 VAL 83 2.723 0.869 4.552 645 2HG2 VAL 83 HG22 VAL 83 4.342 0.183 4.432 646 3HG2 VAL 83 HG21 VAL 83 3.509 0.733 2.980 647 H LEU 84 HN LEU 84 -0.480 -1.072 2.008 648 HA LEU 84 HA LEU 84 -0.581 -4.022 2.084 649 1HB LEU 84 HB2 LEU 84 -2.738 -2.817 2.109 650 2HB LEU 84 HB1 LEU 84 -2.346 -2.105 0.549 651 HG LEU 84 HG LEU 84 -2.230 -4.369 -0.447 652 1HD1 LEU 84 HD11 LEU 84 -2.638 -5.139 2.414 653 2HD1 LEU 84 HD13 LEU 84 -3.392 -6.145 1.177 654 3HD1 LEU 84 HD12 LEU 84 -1.645 -5.908 1.176 655 1HD2 LEU 84 HD23 LEU 84 -4.600 -3.123 0.697 656 2HD2 LEU 84 HD22 LEU 84 -4.390 -3.882 -0.881 657 3HD2 LEU 84 HD21 LEU 84 -4.806 -4.866 0.521 658 H MET 85 HN MET 85 1.613 -4.068 1.186 659 HA MET 85 HA MET 85 2.280 -3.046 -1.367 660 1HB MET 85 HB2 MET 85 4.015 -3.944 0.066 661 2HB MET 85 HB1 MET 85 3.247 -5.532 0.076 662 1HG MET 85 HG2 MET 85 3.950 -4.335 -2.565 663 2HG MET 85 HG1 MET 85 5.260 -4.987 -1.580 664 1HE MET 85 HE3 MET 85 5.159 -7.068 -0.379 665 2HE MET 85 HE2 MET 85 4.678 -8.588 -1.128 666 3HE MET 85 HE1 MET 85 5.927 -7.601 -1.880 667 H VAL 86 HN VAL 86 2.326 -4.094 -3.420 668 HA VAL 86 HA VAL 86 0.364 -6.332 -3.716 669 HB VAL 86 HB VAL 86 0.701 -3.928 -5.531 670 1HG1 VAL 86 HG11 VAL 86 -1.104 -6.345 -5.549 671 2HG1 VAL 86 HG13 VAL 86 -1.464 -4.885 -6.473 672 3HG1 VAL 86 HG12 VAL 86 0.003 -5.803 -6.814 673 1HG2 VAL 86 HG23 VAL 86 -0.402 -3.567 -3.232 674 2HG2 VAL 86 HG22 VAL 86 -1.346 -3.100 -4.642 675 3HG2 VAL 86 HG21 VAL 86 -1.690 -4.617 -3.812 676 H THR 87 HN THR 87 1.259 -8.069 -4.746 677 HA THR 87 HA THR 87 3.259 -7.549 -6.872 678 HB THR 87 HB THR 87 4.677 -7.675 -4.903 679 HG1 THR 87 HG1 THR 87 4.871 -9.182 -6.971 680 1HG2 THR 87 HG23 THR 87 2.926 -8.982 -3.566 681 2HG2 THR 87 HG22 THR 87 3.555 -10.425 -4.362 682 3HG2 THR 87 HG21 THR 87 4.608 -9.457 -3.331 683 H ALA 88 HN ALA 88 2.842 -8.898 -8.535 684 HA ALA 88 HA ALA 88 0.962 -11.112 -8.178 685 1HB ALA 88 HB1 ALA 88 1.548 -9.465 -10.284 686 2HB ALA 88 HB3 ALA 88 2.450 -10.914 -10.726 687 3HB ALA 88 HB2 ALA 88 0.711 -11.010 -10.444 688 H GLU 89 HN GLU 89 4.418 -10.676 -8.434 689 HA GLU 89 HA GLU 89 4.826 -13.626 -8.601 690 1HB GLU 89 HB2 GLU 89 6.075 -11.669 -9.993 691 2HB GLU 89 HB1 GLU 89 7.149 -11.774 -8.599 692 1HG GLU 89 HG2 GLU 89 6.310 -14.085 -10.375 693 2HG GLU 89 HG1 GLU 89 7.898 -13.317 -10.352 694 H ALA 90 HN ALA 90 3.825 -12.523 -6.164 695 HA ALA 90 HA ALA 90 5.633 -11.793 -4.186 696 1HB ALA 90 HB2 ALA 90 3.012 -12.706 -4.223 697 2HB ALA 90 HB1 ALA 90 3.849 -13.923 -3.261 698 3HB ALA 90 HB3 ALA 90 3.910 -12.227 -2.783 699 H LYS 91 HN LYS 91 7.655 -12.678 -4.011 700 HA LYS 91 HA LYS 91 7.963 -15.625 -4.227 701 1HB LYS 91 HB2 LYS 91 9.487 -13.823 -5.376 702 2HB LYS 91 HB1 LYS 91 10.242 -13.717 -3.785 703 1HG LYS 91 HG2 LYS 91 11.520 -15.415 -4.688 704 2HG LYS 91 HG1 LYS 91 10.211 -16.378 -4.003 705 1HD LYS 91 HD2 LYS 91 9.033 -16.192 -6.238 706 2HD LYS 91 HD1 LYS 91 10.515 -15.479 -6.878 707 1HE LYS 91 HE2 LYS 91 11.779 -17.480 -6.316 708 2HE LYS 91 HE1 LYS 91 10.372 -18.186 -5.521 709 1HZ LYS 91 HZ2 LYS 91 9.209 -18.033 -7.691 710 2HZ LYS 91 HZ1 LYS 91 10.678 -17.566 -8.406 711 3HZ LYS 91 HZ3 LYS 91 10.532 -19.100 -7.696 712 H LYS 92 HN LYS 92 10.464 -15.347 -2.540 713 HA LYS 92 HA LYS 92 9.091 -15.573 0.101 714 1HB LYS 92 HB2 LYS 92 11.809 -16.581 -0.789 715 2HB LYS 92 HB1 LYS 92 11.070 -16.868 0.787 716 1HG LYS 92 HG2 LYS 92 9.092 -17.876 -0.518 717 2HG LYS 92 HG1 LYS 92 10.179 -17.896 -1.909 718 1HD LYS 92 HD2 LYS 92 10.702 -19.231 0.766 719 2HD LYS 92 HD1 LYS 92 10.250 -20.055 -0.725 720 1HE LYS 92 HE2 LYS 92 12.534 -20.277 -0.895 721 2HE LYS 92 HE1 LYS 92 12.369 -18.692 -1.650 722 1HZ LYS 92 HZ1 LYS 92 12.649 -17.771 0.671 723 2HZ LYS 92 HZ3 LYS 92 13.162 -19.321 1.130 724 3HZ LYS 92 HZ2 LYS 92 14.032 -18.452 -0.042 725 H GLU 93 HN GLU 93 12.504 -14.899 -0.592 726 HA GLU 93 HA GLU 93 13.004 -13.176 1.503 727 1HB GLU 93 HB2 GLU 93 14.117 -13.316 -1.283 728 2HB GLU 93 HB1 GLU 93 14.650 -12.037 -0.192 729 1HG GLU 93 HG2 GLU 93 16.137 -13.998 -0.036 730 2HG GLU 93 HG1 GLU 93 15.287 -13.730 1.487 731 H ASN 94 HN ASN 94 10.950 -12.561 -1.179 732 HA ASN 94 HA ASN 94 11.146 -9.645 -1.008 733 1HB ASN 94 HB2 ASN 94 9.597 -11.615 -2.620 734 2HB ASN 94 HB1 ASN 94 8.889 -10.012 -2.414 735 1HD2 ASN 94 HD22 ASN 94 12.669 -9.661 -3.891 736 2HD2 ASN 94 HD21 ASN 94 12.392 -10.377 -2.377 737 H ILE 95 HN ILE 95 8.972 -12.175 0.166 738 HA ILE 95 HA ILE 95 7.192 -10.158 1.384 739 HB ILE 95 HB ILE 95 7.069 -13.175 1.645 740 1HG1 ILE 95 HG12 ILE 95 5.711 -11.379 -0.393 741 2HG1 ILE 95 HG11 ILE 95 7.055 -12.466 -0.741 742 1HG2 ILE 95 HG21 ILE 95 5.569 -11.037 2.795 743 2HG2 ILE 95 HG23 ILE 95 4.533 -11.835 1.614 744 3HG2 ILE 95 HG22 ILE 95 5.260 -12.767 2.921 745 1HD1 ILE 95 HD13 ILE 95 5.518 -14.303 0.304 746 2HD1 ILE 95 HD12 ILE 95 4.219 -13.150 -0.002 747 3HD1 ILE 95 HD11 ILE 95 5.193 -13.759 -1.341 748 H ILE 96 HN ILE 96 10.041 -11.788 2.223 749 HA ILE 96 HA ILE 96 9.413 -11.908 5.105 750 HB ILE 96 HB ILE 96 11.878 -12.604 3.501 751 1HG1 ILE 96 HG12 ILE 96 10.250 -14.393 5.304 752 2HG1 ILE 96 HG11 ILE 96 9.739 -14.089 3.643 753 1HG2 ILE 96 HG21 ILE 96 11.473 -12.201 6.430 754 2HG2 ILE 96 HG23 ILE 96 12.435 -13.593 5.931 755 3HG2 ILE 96 HG22 ILE 96 12.923 -11.967 5.455 756 1HD1 ILE 96 HD11 ILE 96 12.582 -14.887 4.174 757 2HD1 ILE 96 HD13 ILE 96 11.326 -16.126 4.175 758 3HD1 ILE 96 HD12 ILE 96 11.602 -15.150 2.732 759 H ALA 97 HN ALA 97 12.180 -10.514 3.338 760 HA ALA 97 HA ALA 97 13.105 -8.760 5.266 761 1HB ALA 97 HB2 ALA 97 13.186 -8.845 2.332 762 2HB ALA 97 HB1 ALA 97 13.329 -7.215 2.988 763 3HB ALA 97 HB3 ALA 97 14.470 -8.466 3.478 764 H ALA 98 HN ALA 98 10.557 -8.036 2.886 765 HA ALA 98 HA ALA 98 9.955 -5.426 3.826 766 1HB ALA 98 HB3 ALA 98 9.025 -6.961 1.793 767 2HB ALA 98 HB2 ALA 98 7.678 -7.105 2.919 768 3HB ALA 98 HB1 ALA 98 8.194 -5.513 2.361 769 H ALA 99 HN ALA 99 8.568 -8.585 4.767 770 HA ALA 99 HA ALA 99 6.618 -7.755 6.552 771 1HB ALA 99 HB3 ALA 99 8.107 -10.161 6.087 772 2HB ALA 99 HB2 ALA 99 7.982 -9.901 7.826 773 3HB ALA 99 HB1 ALA 99 6.523 -9.983 6.841 774 H GLN 100 HN GLN 100 10.073 -8.265 7.329 775 HA GLN 100 HA GLN 100 9.960 -7.502 10.044 776 1HB GLN 100 HB2 GLN 100 12.126 -7.256 7.956 777 2HB GLN 100 HB1 GLN 100 12.384 -6.728 9.620 778 1HG GLN 100 HG2 GLN 100 12.410 -8.862 10.435 779 2HG GLN 100 HG1 GLN 100 11.176 -9.416 9.302 780 1HE2 GLN 100 HE22 GLN 100 13.536 -10.765 7.076 781 2HE2 GLN 100 HE21 GLN 100 11.918 -10.672 7.580 782 H ALA 101 HN ALA 101 9.733 -5.557 7.165 783 HA ALA 101 HA ALA 101 10.274 -3.049 8.598 784 1HB ALA 101 HB1 ALA 101 10.896 -3.280 6.215 785 2HB ALA 101 HB3 ALA 101 9.198 -3.499 5.797 786 3HB ALA 101 HB2 ALA 101 9.749 -1.965 6.460 787 H GLY 102 HN GLY 102 7.642 -2.834 6.420 788 1HA GLY 102 HA2 GLY 102 5.645 -2.908 8.582 789 2HA GLY 102 HA1 GLY 102 5.818 -1.415 7.669 790 H ALA 103 HN ALA 103 6.508 -4.043 5.747 791 HA ALA 103 HA ALA 103 4.378 -3.713 3.919 792 1HB ALA 103 HB3 ALA 103 6.561 -5.611 4.336 793 2HB ALA 103 HB2 ALA 103 5.169 -6.308 3.525 794 3HB ALA 103 HB1 ALA 103 5.972 -4.900 2.840 795 H SER 104 HN SER 104 3.880 -4.528 6.914 796 HA SER 104 HA SER 104 2.717 -6.842 7.512 797 1HB SER 104 HB2 SER 104 1.834 -4.062 8.003 798 2HB SER 104 HB1 SER 104 0.618 -5.302 8.289 799 HG SER 104 HG SER 104 1.771 -5.120 10.158 800 H GLY 105 HN GLY 105 1.274 -4.680 5.071 801 1HA GLY 105 HA2 GLY 105 -0.853 -6.732 4.627 802 2HA GLY 105 HA1 GLY 105 -0.924 -5.068 4.068 803 OH TYR 106 OH TYR 106 1.693 -13.434 -2.052 804 H TYR 106 HN TYR 106 -0.608 -8.080 2.907 805 HA TYR 106 HA TYR 106 0.872 -7.121 0.520 806 1HB TYR 106 HB2 TYR 106 2.708 -8.292 1.160 807 2HB TYR 106 HB1 TYR 106 1.815 -9.189 2.387 808 HD1 TYR 106 HD1 TYR 106 1.879 -8.927 -1.394 809 HD2 TYR 106 HD2 TYR 106 1.644 -11.489 2.055 810 HE1 TYR 106 HE1 TYR 106 1.832 -10.923 -2.860 811 HE2 TYR 106 HE2 TYR 106 1.597 -13.471 0.583 812 HH TYR 106 HH TYR 106 1.341 -14.170 -1.546 813 H VAL 107 HN VAL 107 -0.641 -7.354 -1.006 814 HA VAL 107 HA VAL 107 -2.351 -9.807 -0.990 815 HB VAL 107 HB VAL 107 -3.444 -7.500 -0.989 816 1HG1 VAL 107 HG11 VAL 107 -1.633 -6.649 -2.621 817 2HG1 VAL 107 HG13 VAL 107 -2.582 -7.430 -3.883 818 3HG1 VAL 107 HG12 VAL 107 -3.288 -6.139 -2.917 819 1HG2 VAL 107 HG21 VAL 107 -3.877 -9.638 -3.054 820 2HG2 VAL 107 HG23 VAL 107 -4.891 -9.187 -1.686 821 3HG2 VAL 107 HG22 VAL 107 -4.853 -8.174 -3.124 822 H VAL 108 HN VAL 108 -2.110 -11.234 -2.691 823 HA VAL 108 HA VAL 108 0.054 -10.623 -4.594 824 HB VAL 108 HB VAL 108 -0.002 -12.852 -3.548 825 1HG1 VAL 108 HG12 VAL 108 -2.726 -12.652 -3.777 826 2HG1 VAL 108 HG11 VAL 108 -2.344 -13.767 -5.088 827 3HG1 VAL 108 HG13 VAL 108 -1.864 -14.153 -3.435 828 1HG2 VAL 108 HG23 VAL 108 0.674 -12.399 -6.035 829 2HG2 VAL 108 HG22 VAL 108 0.485 -14.067 -5.495 830 3HG2 VAL 108 HG21 VAL 108 -0.801 -13.287 -6.415 831 H LYS 109 HN LYS 109 -0.932 -9.100 -6.018 832 HA LYS 109 HA LYS 109 -3.523 -9.184 -7.078 833 1HB LYS 109 HB2 LYS 109 -2.787 -7.327 -8.143 834 2HB LYS 109 HB1 LYS 109 -1.214 -7.662 -7.447 835 1HG LYS 109 HG2 LYS 109 -0.646 -9.065 -9.434 836 2HG LYS 109 HG1 LYS 109 -2.192 -8.612 -10.159 837 1HD LYS 109 HD2 LYS 109 -1.543 -6.232 -10.037 838 2HD LYS 109 HD1 LYS 109 0.011 -6.697 -9.345 839 1HE LYS 109 HE2 LYS 109 0.852 -7.210 -11.374 840 2HE LYS 109 HE1 LYS 109 -0.558 -8.188 -11.780 841 1HZ LYS 109 HZ3 LYS 109 -1.444 -5.593 -11.834 842 2HZ LYS 109 HZ2 LYS 109 0.084 -5.534 -12.577 843 3HZ LYS 109 HZ1 LYS 109 -1.116 -6.577 -13.176 844 HA PRO 110 HA PRO 110 -4.337 -8.551 -9.299 845 1HB PRO 110 HB2 PRO 110 -6.395 -10.103 -10.544 846 2HB PRO 110 HB1 PRO 110 -5.321 -8.927 -11.313 847 1HG PRO 110 HG2 PRO 110 -5.297 -11.746 -11.701 848 2HG PRO 110 HG1 PRO 110 -4.100 -10.586 -12.295 849 1HD PRO 110 HD2 PRO 110 -3.882 -12.482 -10.054 850 2HD PRO 110 HD1 PRO 110 -2.598 -11.587 -10.894 851 H PHE 111 HN PHE 111 -6.525 -8.093 -8.359 852 HA PHE 111 HA PHE 111 -7.723 -10.293 -6.781 853 1HB PHE 111 HB2 PHE 111 -7.879 -8.769 -4.769 854 2HB PHE 111 HB1 PHE 111 -6.272 -9.386 -5.106 855 HD1 PHE 111 HD1 PHE 111 -8.514 -6.415 -5.677 856 HD2 PHE 111 HD2 PHE 111 -4.490 -7.896 -5.405 857 HE1 PHE 111 HE1 PHE 111 -7.630 -4.112 -5.856 858 HE2 PHE 111 HE2 PHE 111 -3.618 -5.588 -5.577 859 HZ PHE 111 HZ PHE 111 -5.194 -3.692 -5.799 860 H THR 112 HN THR 112 -9.799 -9.776 -5.972 861 HA THR 112 HA THR 112 -11.200 -7.678 -7.569 862 HB THR 112 HB THR 112 -12.785 -9.589 -5.945 863 HG1 THR 112 HG1 THR 112 -10.801 -10.441 -7.559 864 1HG2 THR 112 HG22 THR 112 -13.576 -7.866 -7.689 865 2HG2 THR 112 HG21 THR 112 -12.963 -8.995 -8.897 866 3HG2 THR 112 HG23 THR 112 -14.252 -9.491 -7.801 867 H ALA 113 HN ALA 113 -12.671 -6.253 -6.312 868 HA ALA 113 HA ALA 113 -11.549 -5.231 -3.960 869 1HB ALA 113 HB1 ALA 113 -13.597 -4.402 -5.458 870 2HB ALA 113 HB3 ALA 113 -14.539 -5.201 -4.198 871 3HB ALA 113 HB2 ALA 113 -13.440 -3.887 -3.777 872 H ALA 114 HN ALA 114 -13.102 -8.219 -4.341 873 HA ALA 114 HA ALA 114 -14.034 -8.400 -1.568 874 1HB ALA 114 HB1 ALA 114 -15.050 -9.676 -3.545 875 2HB ALA 114 HB3 ALA 114 -13.612 -10.696 -3.500 876 3HB ALA 114 HB2 ALA 114 -14.698 -10.640 -2.111 877 H THR 115 HN THR 115 -11.259 -9.507 -3.487 878 HA THR 115 HA THR 115 -10.068 -10.934 -1.254 879 HB THR 115 HB THR 115 -8.000 -10.235 -2.998 880 HG1 THR 115 HG1 THR 115 -10.217 -10.984 -4.552 881 1HG2 THR 115 HG21 THR 115 -9.862 -12.624 -3.004 882 2HG2 THR 115 HG23 THR 115 -8.297 -12.567 -3.815 883 3HG2 THR 115 HG22 THR 115 -8.383 -12.455 -2.057 884 H LEU 116 HN LEU 116 -9.147 -7.814 -2.900 885 HA LEU 116 HA LEU 116 -7.288 -6.993 -0.949 886 1HB LEU 116 HB2 LEU 116 -8.347 -5.816 -3.160 887 2HB LEU 116 HB1 LEU 116 -9.146 -4.891 -1.893 888 HG LEU 116 HG LEU 116 -6.873 -4.566 -0.815 889 1HD1 LEU 116 HD12 LEU 116 -6.113 -6.212 -3.138 890 2HD1 LEU 116 HD11 LEU 116 -5.140 -4.758 -2.937 891 3HD1 LEU 116 HD13 LEU 116 -5.254 -5.930 -1.626 892 1HD2 LEU 116 HD22 LEU 116 -8.063 -2.912 -2.399 893 2HD2 LEU 116 HD21 LEU 116 -6.333 -2.689 -2.152 894 3HD2 LEU 116 HD23 LEU 116 -6.918 -3.462 -3.621 895 H GLU 117 HN GLU 117 -10.845 -6.822 -0.876 896 HA GLU 117 HA GLU 117 -11.083 -5.258 1.476 897 1HB GLU 117 HB2 GLU 117 -13.081 -5.573 0.264 898 2HB GLU 117 HB1 GLU 117 -12.855 -7.321 0.188 899 1HG GLU 117 HG2 GLU 117 -13.553 -7.645 2.382 900 2HG GLU 117 HG1 GLU 117 -13.122 -6.005 2.870 901 H GLU 118 HN GLU 118 -11.143 -8.802 1.109 902 HA GLU 118 HA GLU 118 -11.303 -9.467 3.847 903 1HB GLU 118 HB2 GLU 118 -11.530 -11.154 2.088 904 2HB GLU 118 HB1 GLU 118 -9.844 -10.925 1.622 905 1HG GLU 118 HG2 GLU 118 -9.045 -12.101 3.414 906 2HG GLU 118 HG1 GLU 118 -10.326 -11.536 4.486 907 H LYS 119 HN LYS 119 -8.304 -9.391 1.883 908 HA LYS 119 HA LYS 119 -6.443 -9.727 3.924 909 1HB LYS 119 HB2 LYS 119 -6.417 -8.254 1.326 910 2HB LYS 119 HB1 LYS 119 -5.098 -7.933 2.450 911 1HG LYS 119 HG2 LYS 119 -4.513 -9.779 0.927 912 2HG LYS 119 HG1 LYS 119 -4.625 -10.354 2.590 913 1HD LYS 119 HD2 LYS 119 -6.481 -11.620 2.169 914 2HD LYS 119 HD1 LYS 119 -7.141 -10.455 1.021 915 1HE LYS 119 HE2 LYS 119 -5.561 -11.186 -0.689 916 2HE LYS 119 HE1 LYS 119 -4.788 -12.282 0.455 917 1HZ LYS 119 HZ2 LYS 119 -7.662 -12.570 0.144 918 2HZ LYS 119 HZ1 LYS 119 -6.724 -13.028 -1.196 919 3HZ LYS 119 HZ3 LYS 119 -6.461 -13.761 0.310 920 H LEU 120 HN LEU 120 -8.084 -6.712 2.978 921 HA LEU 120 HA LEU 120 -6.651 -5.040 4.808 922 1HB LEU 120 HB2 LEU 120 -8.133 -4.304 2.844 923 2HB LEU 120 HB1 LEU 120 -9.505 -4.577 3.920 924 HG LEU 120 HG LEU 120 -7.684 -3.103 5.450 925 1HD1 LEU 120 HD11 LEU 120 -6.456 -2.567 3.369 926 2HD1 LEU 120 HD13 LEU 120 -7.941 -1.925 2.669 927 3HD1 LEU 120 HD12 LEU 120 -7.209 -1.129 4.060 928 1HD2 LEU 120 HD21 LEU 120 -10.202 -2.362 3.948 929 2HD2 LEU 120 HD23 LEU 120 -10.034 -2.752 5.659 930 3HD2 LEU 120 HD22 LEU 120 -9.393 -1.235 5.031 931 H ASN 121 HN ASN 121 -10.045 -6.174 5.080 932 HA ASN 121 HA ASN 121 -10.530 -5.450 7.718 933 1HB ASN 121 HB2 ASN 121 -11.734 -7.186 5.829 934 2HB ASN 121 HB1 ASN 121 -11.564 -8.110 7.322 935 1HD2 ASN 121 HD22 ASN 121 -13.443 -5.407 9.124 936 2HD2 ASN 121 HD21 ASN 121 -11.870 -6.036 9.240 937 H LYS 122 HN LYS 122 -8.516 -8.072 6.551 938 HA LYS 122 HA LYS 122 -8.285 -9.416 9.105 939 1HB LYS 122 HB2 LYS 122 -7.437 -9.892 6.456 940 2HB LYS 122 HB1 LYS 122 -5.960 -9.757 7.404 941 1HG LYS 122 HG2 LYS 122 -8.295 -11.531 8.184 942 2HG LYS 122 HG1 LYS 122 -6.903 -12.101 7.269 943 1HD LYS 122 HD2 LYS 122 -6.487 -10.658 9.879 944 2HD LYS 122 HD1 LYS 122 -6.911 -12.366 9.876 945 1HE LYS 122 HE2 LYS 122 -4.862 -12.997 9.121 946 2HE LYS 122 HE1 LYS 122 -4.752 -11.650 7.991 947 1HZ LYS 122 HZ3 LYS 122 -4.543 -11.195 10.896 948 2HZ LYS 122 HZ2 LYS 122 -3.188 -11.693 10.000 949 3HZ LYS 122 HZ1 LYS 122 -3.970 -10.233 9.622 950 H ILE 123 HN ILE 123 -6.521 -6.843 7.466 951 HA ILE 123 HA ILE 123 -4.323 -6.788 9.354 952 HB ILE 123 HB ILE 123 -5.343 -4.857 7.275 953 1HG1 ILE 123 HG12 ILE 123 -2.730 -6.383 7.548 954 2HG1 ILE 123 HG11 ILE 123 -4.110 -6.955 6.614 955 1HG2 ILE 123 HG23 ILE 123 -3.221 -4.491 9.384 956 2HG2 ILE 123 HG22 ILE 123 -3.067 -3.684 7.825 957 3HG2 ILE 123 HG21 ILE 123 -4.457 -3.352 8.853 958 1HD1 ILE 123 HD11 ILE 123 -3.863 -4.477 5.556 959 2HD1 ILE 123 HD13 ILE 123 -2.184 -4.771 6.011 960 3HD1 ILE 123 HD12 ILE 123 -3.008 -5.877 4.914 961 H PHE 124 HN PHE 124 -7.361 -4.931 9.057 962 HA PHE 124 HA PHE 124 -6.714 -3.165 11.237 963 1HB PHE 124 HB2 PHE 124 -9.228 -3.815 9.725 964 2HB PHE 124 HB1 PHE 124 -9.290 -2.807 11.171 965 HD1 PHE 124 HD1 PHE 124 -7.837 -0.736 11.302 966 HD2 PHE 124 HD2 PHE 124 -8.380 -2.971 7.676 967 HE1 PHE 124 HE1 PHE 124 -6.970 1.182 9.985 968 HE2 PHE 124 HE2 PHE 124 -7.514 -1.042 6.373 969 HZ PHE 124 HZ PHE 124 -6.822 1.003 7.515 970 H GLU 125 HN GLU 125 -7.236 -6.414 11.350 971 HA GLU 125 HA GLU 125 -8.983 -6.519 13.682 972 1HB GLU 125 HB2 GLU 125 -8.032 -8.401 11.873 973 2HB GLU 125 HB1 GLU 125 -7.134 -8.778 13.344 974 1HG GLU 125 HG2 GLU 125 -9.253 -8.857 14.614 975 2HG GLU 125 HG1 GLU 125 -10.148 -8.501 13.136 976 H LYS 126 HN LYS 126 -5.522 -6.395 13.062 977 HA LYS 126 HA LYS 126 -4.913 -6.562 15.952 978 1HB LYS 126 HB2 LYS 126 -3.452 -7.611 14.126 979 2HB LYS 126 HB1 LYS 126 -2.987 -5.967 13.689 980 1HG LYS 126 HG2 LYS 126 -1.315 -6.424 15.210 981 2HG LYS 126 HG1 LYS 126 -2.536 -5.799 16.319 982 1HD LYS 126 HD2 LYS 126 -3.323 -8.118 16.730 983 2HD LYS 126 HD1 LYS 126 -2.048 -8.721 15.671 984 1HE LYS 126 HE2 LYS 126 -0.906 -8.879 17.655 985 2HE LYS 126 HE1 LYS 126 -0.556 -7.186 17.309 986 1HZ LYS 126 HZ1 LYS 126 -3.078 -7.612 18.629 987 2HZ LYS 126 HZ3 LYS 126 -1.742 -8.097 19.554 988 3HZ LYS 126 HZ2 LYS 126 -1.842 -6.501 18.980 989 H LEU 127 HN LEU 127 -5.460 -4.249 13.445 990 HA LEU 127 HA LEU 127 -4.164 -2.036 14.877 991 1HB LEU 127 HB2 LEU 127 -4.723 -2.431 12.236 992 2HB LEU 127 HB1 LEU 127 -6.097 -1.433 12.710 993 HG LEU 127 HG LEU 127 -4.319 0.075 13.864 994 1HD1 LEU 127 HD13 LEU 127 -2.614 -1.914 13.121 995 2HD1 LEU 127 HD12 LEU 127 -2.437 -0.814 11.754 996 3HD1 LEU 127 HD11 LEU 127 -2.107 -0.246 13.391 997 1HD2 LEU 127 HD23 LEU 127 -4.783 -0.200 10.893 998 2HD2 LEU 127 HD22 LEU 127 -5.481 0.973 12.010 999 3HD2 LEU 127 HD21 LEU 127 -3.787 1.104 11.541 1000 H GLY 128 HN GLY 128 -7.380 -3.412 14.478 1001 1HA GLY 128 HA2 GLY 128 -9.451 -2.762 15.399 1002 2HA GLY 128 HA1 GLY 128 -8.479 -2.449 16.837 1003 H MET 129 HN MET 129 -9.844 -0.974 13.937 1004 HA MET 129 HA MET 129 -8.974 1.710 14.809 1005 1HB MET 129 HB2 MET 129 -9.922 0.495 12.333 1006 2HB MET 129 HB1 MET 129 -10.757 2.009 12.680 1007 1HG MET 129 HG2 MET 129 -7.744 1.680 12.726 1008 2HG MET 129 HG1 MET 129 -8.650 2.323 11.357 1009 1HE MET 129 HE1 MET 129 -6.573 3.907 12.009 1010 2HE MET 129 HE3 MET 129 -7.819 4.873 11.206 1011 3HE MET 129 HE2 MET 129 -7.002 5.496 12.638 Start of MODEL 34 Raw file had 1011 H/Q atoms Start of MODEL 34 1 H ALA 2 HN ALA 2 -14.368 -0.293 7.742 2 HA ALA 2 HA ALA 2 -13.240 0.250 10.426 3 1HB ALA 2 HB1 ALA 2 -11.569 0.085 7.898 4 2HB ALA 2 HB3 ALA 2 -11.002 0.766 9.424 5 3HB ALA 2 HB2 ALA 2 -11.423 -0.944 9.322 6 H ASP 3 HN ASP 3 -11.783 2.489 9.896 7 HA ASP 3 HA ASP 3 -13.606 4.573 9.651 8 1HB ASP 3 HB2 ASP 3 -10.692 4.482 8.811 9 2HB ASP 3 HB1 ASP 3 -11.631 5.972 8.896 10 H LYS 4 HN LYS 4 -14.685 5.539 7.940 11 HA LYS 4 HA LYS 4 -14.367 4.268 5.299 12 1HB LYS 4 HB2 LYS 4 -16.347 6.311 6.322 13 2HB LYS 4 HB1 LYS 4 -16.357 5.669 4.689 14 1HG LYS 4 HG2 LYS 4 -16.482 3.344 5.734 15 2HG LYS 4 HG1 LYS 4 -16.803 4.150 7.268 16 1HD LYS 4 HD2 LYS 4 -18.842 5.080 6.479 17 2HD LYS 4 HD1 LYS 4 -18.448 4.730 4.796 18 1HE LYS 4 HE2 LYS 4 -20.089 3.110 5.632 19 2HE LYS 4 HE1 LYS 4 -18.558 2.306 5.284 20 1HZ LYS 4 HZ3 LYS 4 -18.583 3.291 7.939 21 2HZ LYS 4 HZ2 LYS 4 -19.938 2.302 7.674 22 3HZ LYS 4 HZ1 LYS 4 -18.374 1.700 7.392 23 H GLU 5 HN GLU 5 -12.519 6.440 6.637 24 HA GLU 5 HA GLU 5 -12.236 8.001 4.123 25 1HB GLU 5 HB2 GLU 5 -12.137 9.379 6.807 26 2HB GLU 5 HB1 GLU 5 -12.251 10.110 5.205 27 1HG GLU 5 HG2 GLU 5 -14.501 9.048 4.934 28 2HG GLU 5 HG1 GLU 5 -14.389 8.475 6.599 29 H LEU 6 HN LEU 6 -10.578 5.876 5.015 30 HA LEU 6 HA LEU 6 -8.277 7.067 6.339 31 1HB LEU 6 HB2 LEU 6 -8.954 4.691 6.645 32 2HB LEU 6 HB1 LEU 6 -8.595 4.394 4.954 33 HG LEU 6 HG LEU 6 -6.247 4.942 5.310 34 1HD1 LEU 6 HD12 LEU 6 -7.279 5.744 8.000 35 2HD1 LEU 6 HD11 LEU 6 -5.648 5.083 7.887 36 3HD1 LEU 6 HD13 LEU 6 -6.075 6.535 6.982 37 1HD2 LEU 6 HD22 LEU 6 -7.639 2.861 6.914 38 2HD2 LEU 6 HD21 LEU 6 -6.403 2.689 5.675 39 3HD2 LEU 6 HD23 LEU 6 -5.952 3.161 7.311 40 H LYS 7 HN LYS 7 -6.231 7.598 5.188 41 HA LYS 7 HA LYS 7 -6.787 8.190 2.331 42 1HB LYS 7 HB2 LYS 7 -5.102 9.348 4.419 43 2HB LYS 7 HB1 LYS 7 -4.276 9.167 2.873 44 1HG LYS 7 HG2 LYS 7 -6.145 10.345 1.750 45 2HG LYS 7 HG1 LYS 7 -6.935 10.550 3.314 46 1HD LYS 7 HD2 LYS 7 -4.104 11.489 3.009 47 2HD LYS 7 HD1 LYS 7 -5.397 12.467 2.317 48 1HE LYS 7 HE2 LYS 7 -5.257 11.542 5.202 49 2HE LYS 7 HE1 LYS 7 -4.885 13.168 4.632 50 1HZ LYS 7 HZ1 LYS 7 -7.185 13.212 3.693 51 2HZ LYS 7 HZ3 LYS 7 -7.497 11.771 4.531 52 3HZ LYS 7 HZ2 LYS 7 -7.109 13.183 5.390 53 H PHE 8 HN PHE 8 -5.808 7.187 0.663 54 HA PHE 8 HA PHE 8 -3.763 5.118 1.292 55 1HB PHE 8 HB2 PHE 8 -5.822 5.277 -0.925 56 2HB PHE 8 HB1 PHE 8 -4.587 4.034 -0.801 57 HD1 PHE 8 HD2 PHE 8 -7.367 5.609 1.119 58 HD2 PHE 8 HD1 PHE 8 -4.974 2.110 0.491 59 HE1 PHE 8 HE2 PHE 8 -8.795 4.352 2.692 60 HE2 PHE 8 HE1 PHE 8 -6.400 0.842 2.090 61 HZ PHE 8 HZ PHE 8 -8.318 1.970 3.185 62 H LEU 9 HN LEU 9 -2.006 4.915 -0.150 63 HA LEU 9 HA LEU 9 -1.686 7.160 -2.103 64 1HB LEU 9 HB2 LEU 9 -0.188 7.562 -0.218 65 2HB LEU 9 HB1 LEU 9 0.423 5.913 -0.310 66 HG LEU 9 HG LEU 9 1.385 6.342 -2.513 67 1HD1 LEU 9 HD13 LEU 9 -0.135 8.908 -2.222 68 2HD1 LEU 9 HD12 LEU 9 1.320 8.874 -3.213 69 3HD1 LEU 9 HD11 LEU 9 -0.044 7.830 -3.612 70 1HD2 LEU 9 HD23 LEU 9 1.996 8.336 -0.339 71 2HD2 LEU 9 HD22 LEU 9 2.916 6.913 -0.825 72 3HD2 LEU 9 HD21 LEU 9 2.895 8.342 -1.855 73 H VAL 10 HN VAL 10 -2.018 6.129 -4.039 74 HA VAL 10 HA VAL 10 -1.081 3.352 -4.364 75 HB VAL 10 HB VAL 10 -2.187 4.746 -6.713 76 1HG1 VAL 10 HG13 VAL 10 -1.803 2.224 -6.286 77 2HG1 VAL 10 HG12 VAL 10 -3.228 2.317 -5.250 78 3HG1 VAL 10 HG11 VAL 10 -3.358 2.702 -6.966 79 1HG2 VAL 10 HG22 VAL 10 -3.696 4.495 -4.102 80 2HG2 VAL 10 HG21 VAL 10 -3.493 5.933 -5.099 81 3HG2 VAL 10 HG23 VAL 10 -4.514 4.611 -5.660 82 H VAL 11 HN VAL 11 0.937 2.957 -5.085 83 HA VAL 11 HA VAL 11 2.196 4.905 -6.921 84 HB VAL 11 HB VAL 11 3.619 3.214 -4.858 85 1HG1 VAL 11 HG12 VAL 11 4.466 5.233 -6.906 86 2HG1 VAL 11 HG11 VAL 11 5.338 5.169 -5.377 87 3HG1 VAL 11 HG13 VAL 11 5.259 3.741 -6.406 88 1HG2 VAL 11 HG21 VAL 11 2.188 5.755 -4.631 89 2HG2 VAL 11 HG23 VAL 11 2.823 4.708 -3.362 90 3HG2 VAL 11 HG22 VAL 11 3.876 5.888 -4.139 91 H ASP 12 HN ASP 12 0.841 3.063 -8.214 92 HA ASP 12 HA ASP 12 2.589 0.709 -8.689 93 1HB ASP 12 HB2 ASP 12 0.215 0.886 -10.365 94 2HB ASP 12 HB1 ASP 12 0.683 -0.375 -9.224 95 H ASP 13 HN ASP 13 3.542 0.330 -10.724 96 HA ASP 13 HA ASP 13 4.163 2.688 -12.289 97 1HB ASP 13 HB2 ASP 13 5.234 0.942 -13.836 98 2HB ASP 13 HB1 ASP 13 5.859 1.012 -12.189 99 H PHE 14 HN PHE 14 1.849 0.061 -12.554 100 HA PHE 14 HA PHE 14 1.133 0.186 -15.260 101 1HB PHE 14 HB2 PHE 14 -0.178 -0.613 -12.763 102 2HB PHE 14 HB1 PHE 14 -1.313 -0.016 -13.971 103 HD1 PHE 14 HD2 PHE 14 -0.819 -0.881 -16.452 104 HD2 PHE 14 HD1 PHE 14 0.407 -2.876 -12.849 105 HE1 PHE 14 HE2 PHE 14 -0.639 -3.019 -17.696 106 HE2 PHE 14 HE1 PHE 14 0.585 -5.013 -14.094 107 HZ PHE 14 HZ PHE 14 0.062 -5.085 -16.517 108 H SER 15 HN SER 15 0.537 1.912 -16.478 109 HA SER 15 HA SER 15 -0.305 4.406 -15.193 110 1HB SER 15 HB2 SER 15 -0.475 4.031 -18.150 111 2HB SER 15 HB1 SER 15 0.104 5.415 -17.227 112 HG SER 15 HG SER 15 1.751 4.121 -18.316 113 H THR 16 HN THR 16 -2.157 2.401 -14.618 114 HA THR 16 HA THR 16 -4.604 3.611 -15.524 115 HB THR 16 HB THR 16 -4.131 2.424 -17.606 116 HG1 THR 16 HG1 THR 16 -6.141 1.464 -15.906 117 1HG2 THR 16 HG22 THR 16 -2.592 0.742 -16.635 118 2HG2 THR 16 HG21 THR 16 -3.967 -0.058 -15.872 119 3HG2 THR 16 HG23 THR 16 -3.838 -0.011 -17.632 120 H MET 17 HN MET 17 -2.894 0.987 -13.964 121 HA MET 17 HA MET 17 -5.091 -0.333 -12.725 122 1HB MET 17 HB2 MET 17 -2.911 -1.349 -12.619 123 2HB MET 17 HB1 MET 17 -2.229 0.067 -11.818 124 1HG MET 17 HG2 MET 17 -3.086 -0.507 -9.777 125 2HG MET 17 HG1 MET 17 -4.561 -1.178 -10.472 126 1HE MET 17 HE2 MET 17 -4.138 -2.494 -8.447 127 2HE MET 17 HE1 MET 17 -4.711 -3.848 -9.418 128 3HE MET 17 HE3 MET 17 -3.271 -4.027 -8.407 129 NH1 ARG 18 NH1 ARG 18 0.135 5.396 -13.046 130 NH2 ARG 18 NH2 ARG 18 0.850 7.099 -11.745 131 H ARG 18 HN ARG 18 -3.331 2.603 -11.848 132 HA ARG 18 HA ARG 18 -4.259 2.970 -9.217 133 1HB ARG 18 HB2 ARG 18 -4.124 5.280 -11.141 134 2HB ARG 18 HB1 ARG 18 -3.644 5.221 -9.445 135 1HG ARG 18 HG2 ARG 18 -1.991 3.327 -10.456 136 2HG ARG 18 HG1 ARG 18 -2.144 4.380 -11.863 137 1HD ARG 18 HD2 ARG 18 -1.633 6.327 -10.291 138 2HD ARG 18 HD1 ARG 18 -1.172 5.116 -9.096 139 HE ARG 18 HE ARG 18 0.747 4.591 -10.421 140 1HH1 ARG 18 HH11 ARG 18 -0.246 4.475 -13.136 141 2HH1 ARG 18 HH12 ARG 18 0.346 5.931 -13.863 142 1HH2 ARG 18 HH21 ARG 18 1.017 7.484 -10.837 143 2HH2 ARG 18 HH22 ARG 18 1.061 7.635 -12.562 144 NH1 ARG 19 NH1 ARG 19 -7.107 8.675 -14.995 145 NH2 ARG 19 NH2 ARG 19 -6.207 9.912 -13.333 146 H ARG 19 HN ARG 19 -5.924 3.519 -12.286 147 HA ARG 19 HA ARG 19 -8.207 4.845 -11.075 148 1HB ARG 19 HB2 ARG 19 -7.411 3.914 -13.763 149 2HB ARG 19 HB1 ARG 19 -9.142 3.821 -13.451 150 1HG ARG 19 HG2 ARG 19 -8.680 5.994 -14.396 151 2HG ARG 19 HG1 ARG 19 -9.057 6.231 -12.692 152 1HD ARG 19 HD2 ARG 19 -6.458 6.007 -12.366 153 2HD ARG 19 HD1 ARG 19 -6.396 6.392 -14.085 154 HE ARG 19 HE ARG 19 -7.571 8.189 -12.006 155 1HH1 ARG 19 HH11 ARG 19 -7.585 7.851 -15.301 156 2HH1 ARG 19 HH12 ARG 19 -6.841 9.373 -15.660 157 1HH2 ARG 19 HH21 ARG 19 -5.995 10.038 -12.363 158 2HH2 ARG 19 HH22 ARG 19 -5.941 10.611 -13.997 159 H ILE 20 HN ILE 20 -7.362 1.519 -11.883 160 HA ILE 20 HA ILE 20 -9.966 0.381 -11.536 161 HB ILE 20 HB ILE 20 -7.165 -0.614 -11.626 162 1HG1 ILE 20 HG12 ILE 20 -9.706 -1.789 -12.769 163 2HG1 ILE 20 HG11 ILE 20 -8.856 -0.449 -13.540 164 1HG2 ILE 20 HG23 ILE 20 -9.407 -2.119 -10.252 165 2HG2 ILE 20 HG22 ILE 20 -8.032 -2.936 -10.991 166 3HG2 ILE 20 HG21 ILE 20 -7.772 -1.819 -9.653 167 1HD1 ILE 20 HD11 ILE 20 -7.135 -2.726 -12.771 168 2HD1 ILE 20 HD13 ILE 20 -8.316 -3.082 -14.032 169 3HD1 ILE 20 HD12 ILE 20 -7.152 -1.778 -14.258 170 H VAL 21 HN VAL 21 -7.227 0.653 -9.254 171 HA VAL 21 HA VAL 21 -8.657 -0.444 -7.036 172 HB VAL 21 HB VAL 21 -6.754 1.374 -6.014 173 1HG1 VAL 21 HG12 VAL 21 -7.215 -0.930 -5.238 174 2HG1 VAL 21 HG11 VAL 21 -6.504 -1.567 -6.722 175 3HG1 VAL 21 HG13 VAL 21 -5.498 -0.695 -5.564 176 1HG2 VAL 21 HG23 VAL 21 -6.019 1.681 -8.380 177 2HG2 VAL 21 HG22 VAL 21 -4.783 0.908 -7.387 178 3HG2 VAL 21 HG21 VAL 21 -5.753 -0.058 -8.496 179 NH1 ARG 22 NH2 ARG 22 -12.199 7.888 -9.164 180 NH2 ARG 22 NH1 ARG 22 -10.578 9.395 -9.626 181 H ARG 22 HN ARG 22 -8.403 2.845 -8.296 182 HA ARG 22 HA ARG 22 -9.342 4.384 -6.176 183 1HB ARG 22 HB2 ARG 22 -9.449 4.553 -9.093 184 2HB ARG 22 HB1 ARG 22 -10.824 5.340 -8.322 185 1HG ARG 22 HG2 ARG 22 -9.352 6.695 -6.944 186 2HG ARG 22 HG1 ARG 22 -7.935 5.828 -7.540 187 1HD ARG 22 HD2 ARG 22 -8.593 8.144 -8.609 188 2HD ARG 22 HD1 ARG 22 -8.039 6.827 -9.643 189 HE ARG 22 HE ARG 22 -10.340 6.470 -10.341 190 1HH1 ARG 22 HH21 ARG 22 -12.495 6.937 -9.067 191 2HH1 ARG 22 HH22 ARG 22 -12.846 8.632 -9.006 192 1HH2 ARG 22 HH11 ARG 22 -9.633 9.599 -9.882 193 2HH2 ARG 22 HH12 ARG 22 -11.225 10.139 -9.467 194 H ASN 23 HN ASN 23 -11.394 2.686 -8.558 195 HA ASN 23 HA ASN 23 -13.882 3.211 -7.270 196 1HB ASN 23 HB2 ASN 23 -12.955 2.004 -9.581 197 2HB ASN 23 HB1 ASN 23 -13.631 0.674 -8.682 198 1HD2 ASN 23 HD22 ASN 23 -16.886 1.561 -9.678 199 2HD2 ASN 23 HD21 ASN 23 -15.758 0.332 -9.364 200 H LEU 24 HN LEU 24 -11.900 0.294 -7.411 201 HA LEU 24 HA LEU 24 -13.173 -1.473 -5.769 202 1HB LEU 24 HB2 LEU 24 -10.853 -1.611 -6.873 203 2HB LEU 24 HB1 LEU 24 -10.248 -0.859 -5.411 204 HG LEU 24 HG LEU 24 -11.974 -3.099 -4.732 205 1HD1 LEU 24 HD12 LEU 24 -9.699 -3.657 -6.652 206 2HD1 LEU 24 HD11 LEU 24 -10.510 -4.890 -5.689 207 3HD1 LEU 24 HD13 LEU 24 -11.409 -3.997 -6.915 208 1HD2 LEU 24 HD22 LEU 24 -9.143 -2.260 -4.201 209 2HD2 LEU 24 HD21 LEU 24 -10.427 -2.653 -3.066 210 3HD2 LEU 24 HD23 LEU 24 -9.577 -3.941 -3.914 211 H LEU 25 HN LEU 25 -10.884 0.985 -4.474 212 HA LEU 25 HA LEU 25 -11.413 0.514 -1.726 213 1HB LEU 25 HB2 LEU 25 -10.392 2.844 -3.304 214 2HB LEU 25 HB1 LEU 25 -10.879 3.126 -1.641 215 HG LEU 25 HG LEU 25 -9.134 0.769 -2.217 216 1HD1 LEU 25 HD11 LEU 25 -8.183 3.644 -2.033 217 2HD1 LEU 25 HD13 LEU 25 -7.134 2.228 -1.967 218 3HD1 LEU 25 HD12 LEU 25 -8.038 2.587 -3.439 219 1HD2 LEU 25 HD21 LEU 25 -10.107 1.286 0.050 220 2HD2 LEU 25 HD23 LEU 25 -8.345 1.237 0.032 221 3HD2 LEU 25 HD22 LEU 25 -9.183 2.788 0.048 222 H LYS 26 HN LYS 26 -12.924 2.943 -3.892 223 HA LYS 26 HA LYS 26 -14.766 3.988 -2.072 224 1HB LYS 26 HB2 LYS 26 -14.332 4.559 -4.600 225 2HB LYS 26 HB1 LYS 26 -15.634 3.403 -4.887 226 1HG LYS 26 HG2 LYS 26 -16.811 4.816 -2.949 227 2HG LYS 26 HG1 LYS 26 -15.727 6.073 -3.549 228 1HD LYS 26 HD2 LYS 26 -16.598 5.743 -5.832 229 2HD LYS 26 HD1 LYS 26 -17.680 4.481 -5.240 230 1HE LYS 26 HE2 LYS 26 -18.980 6.007 -3.999 231 2HE LYS 26 HE1 LYS 26 -17.726 7.245 -4.040 232 1HZ LYS 26 HZ3 LYS 26 -19.002 6.268 -6.517 233 2HZ LYS 26 HZ2 LYS 26 -19.706 7.509 -5.596 234 3HZ LYS 26 HZ1 LYS 26 -18.156 7.716 -6.262 235 H GLU 27 HN GLU 27 -14.904 0.975 -3.910 236 HA GLU 27 HA GLU 27 -17.539 0.196 -3.528 237 1HB GLU 27 HB2 GLU 27 -15.553 -1.072 -4.642 238 2HB GLU 27 HB1 GLU 27 -15.312 -1.767 -3.039 239 1HG GLU 27 HG2 GLU 27 -17.995 -2.093 -3.300 240 2HG GLU 27 HG1 GLU 27 -17.499 -2.225 -4.988 241 H LEU 28 HN LEU 28 -14.854 -0.098 -1.219 242 HA LEU 28 HA LEU 28 -16.501 -1.300 0.842 243 1HB LEU 28 HB2 LEU 28 -13.758 -0.066 0.766 244 2HB LEU 28 HB1 LEU 28 -14.507 -0.468 2.311 245 HG LEU 28 HG LEU 28 -14.821 -2.797 1.559 246 1HD1 LEU 28 HD13 LEU 28 -13.728 -1.629 -0.979 247 2HD1 LEU 28 HD12 LEU 28 -13.378 -3.315 -0.597 248 3HD1 LEU 28 HD11 LEU 28 -15.050 -2.775 -0.755 249 1HD2 LEU 28 HD22 LEU 28 -12.067 -1.570 1.448 250 2HD2 LEU 28 HD21 LEU 28 -12.802 -2.511 2.747 251 3HD2 LEU 28 HD23 LEU 28 -12.287 -3.309 1.261 252 H GLY 29 HN GLY 29 -14.956 1.915 0.714 253 1HA GLY 29 HA2 GLY 29 -17.045 3.612 1.068 254 2HA GLY 29 HA1 GLY 29 -16.833 2.935 2.677 255 H PHE 30 HN PHE 30 -14.543 4.023 0.146 256 HA PHE 30 HA PHE 30 -13.298 5.811 2.210 257 1HB PHE 30 HB2 PHE 30 -11.936 4.009 0.189 258 2HB PHE 30 HB1 PHE 30 -11.093 5.250 1.102 259 HD1 PHE 30 HD1 PHE 30 -10.869 5.056 3.559 260 HD2 PHE 30 HD2 PHE 30 -12.689 1.972 1.210 261 HE1 PHE 30 HE1 PHE 30 -10.650 3.477 5.462 262 HE2 PHE 30 HE2 PHE 30 -12.472 0.387 3.104 263 HZ PHE 30 HZ PHE 30 -11.451 1.142 5.233 264 H ASN 31 HN ASN 31 -12.414 7.785 1.358 265 HA ASN 31 HA ASN 31 -12.711 8.289 -1.540 266 1HB ASN 31 HB2 ASN 31 -14.915 8.812 -0.286 267 2HB ASN 31 HB1 ASN 31 -14.037 10.185 0.390 268 1HD2 ASN 31 HD22 ASN 31 -13.446 11.125 -3.301 269 2HD2 ASN 31 HD21 ASN 31 -12.402 10.361 -2.201 270 H ASN 32 HN ASN 32 -10.263 8.274 -0.765 271 HA ASN 32 HA ASN 32 -9.307 10.976 -0.911 272 1HB ASN 32 HB2 ASN 32 -10.117 10.517 1.622 273 2HB ASN 32 HB1 ASN 32 -8.494 9.840 1.722 274 1HD2 ASN 32 HD22 ASN 32 -6.997 13.081 0.787 275 2HD2 ASN 32 HD21 ASN 32 -6.891 11.466 0.276 276 H VAL 33 HN VAL 33 -7.826 10.226 -2.445 277 HA VAL 33 HA VAL 33 -5.593 8.608 -1.375 278 HB VAL 33 HB VAL 33 -6.986 6.866 -2.212 279 1HG1 VAL 33 HG12 VAL 33 -7.631 8.915 -4.252 280 2HG1 VAL 33 HG11 VAL 33 -7.582 7.250 -4.829 281 3HG1 VAL 33 HG13 VAL 33 -8.667 7.695 -3.512 282 1HG2 VAL 33 HG22 VAL 33 -4.504 7.169 -3.153 283 2HG2 VAL 33 HG21 VAL 33 -5.547 5.862 -3.701 284 3HG2 VAL 33 HG23 VAL 33 -5.367 7.314 -4.681 285 H GLU 34 HN GLU 34 -3.626 8.840 -2.618 286 HA GLU 34 HA GLU 34 -3.742 10.928 -4.771 287 1HB GLU 34 HB2 GLU 34 -1.675 10.552 -2.595 288 2HB GLU 34 HB1 GLU 34 -1.427 11.576 -4.003 289 1HG GLU 34 HG2 GLU 34 -3.987 12.154 -2.788 290 2HG GLU 34 HG1 GLU 34 -2.700 12.286 -1.589 291 H GLU 35 HN GLU 35 -1.089 10.680 -5.626 292 HA GLU 35 HA GLU 35 -0.706 7.797 -6.180 293 1HB GLU 35 HB2 GLU 35 -1.121 9.852 -8.364 294 2HB GLU 35 HB1 GLU 35 -0.651 8.171 -8.621 295 1HG GLU 35 HG2 GLU 35 -2.764 7.505 -7.377 296 2HG GLU 35 HG1 GLU 35 -3.252 9.197 -7.460 297 H ALA 36 HN ALA 36 1.340 7.309 -7.197 298 HA ALA 36 HA ALA 36 3.347 9.463 -7.398 299 1HB ALA 36 HB3 ALA 36 3.095 7.911 -5.031 300 2HB ALA 36 HB2 ALA 36 4.528 7.326 -5.877 301 3HB ALA 36 HB1 ALA 36 4.391 9.031 -5.450 302 H GLU 37 HN GLU 37 5.614 7.907 -7.693 303 HA GLU 37 HA GLU 37 4.892 5.764 -9.627 304 1HB GLU 37 HB2 GLU 37 7.038 7.163 -10.802 305 2HB GLU 37 HB1 GLU 37 5.379 7.061 -11.390 306 1HG GLU 37 HG2 GLU 37 4.751 9.013 -10.057 307 2HG GLU 37 HG1 GLU 37 6.377 9.093 -9.373 308 H ASP 38 HN ASP 38 6.629 6.503 -6.960 309 HA ASP 38 HA ASP 38 8.262 4.188 -7.075 310 1HB ASP 38 HB2 ASP 38 10.494 5.658 -7.164 311 2HB ASP 38 HB1 ASP 38 9.765 4.998 -8.628 312 H GLY 39 HN GLY 39 10.156 4.443 -5.333 313 1HA GLY 39 HA2 GLY 39 8.883 5.308 -2.899 314 2HA GLY 39 HA1 GLY 39 10.562 4.788 -3.035 315 H VAL 40 HN VAL 40 11.052 6.843 -5.169 316 HA VAL 40 HA VAL 40 11.882 8.988 -3.424 317 HB VAL 40 HB VAL 40 11.631 9.118 -6.438 318 1HG1 VAL 40 HG11 VAL 40 12.246 11.131 -4.873 319 2HG1 VAL 40 HG13 VAL 40 13.801 10.312 -4.732 320 3HG1 VAL 40 HG12 VAL 40 13.219 10.833 -6.313 321 1HG2 VAL 40 HG23 VAL 40 13.575 7.658 -4.673 322 2HG2 VAL 40 HG22 VAL 40 12.873 7.156 -6.212 323 3HG2 VAL 40 HG21 VAL 40 14.151 8.372 -6.179 324 H ASP 41 HN ASP 41 9.225 8.545 -5.724 325 HA ASP 41 HA ASP 41 8.171 11.233 -5.293 326 1HB ASP 41 HB2 ASP 41 7.923 9.562 -7.336 327 2HB ASP 41 HB1 ASP 41 6.544 8.985 -6.411 328 H ALA 42 HN ALA 42 7.481 7.948 -4.162 329 HA ALA 42 HA ALA 42 5.115 8.722 -2.669 330 1HB ALA 42 HB1 ALA 42 6.068 6.332 -3.484 331 2HB ALA 42 HB3 ALA 42 6.674 6.338 -1.833 332 3HB ALA 42 HB2 ALA 42 4.946 6.497 -2.136 333 H LEU 43 HN LEU 43 8.563 8.551 -2.017 334 HA LEU 43 HA LEU 43 8.331 8.770 0.855 335 1HB LEU 43 HB2 LEU 43 10.419 7.982 -0.087 336 2HB LEU 43 HB1 LEU 43 10.584 9.437 -1.066 337 HG LEU 43 HG LEU 43 10.912 10.804 0.913 338 1HD1 LEU 43 HD13 LEU 43 10.114 8.266 2.328 339 2HD1 LEU 43 HD12 LEU 43 11.092 9.481 3.150 340 3HD1 LEU 43 HD11 LEU 43 9.488 9.898 2.556 341 1HD2 LEU 43 HD23 LEU 43 12.883 9.596 0.031 342 2HD2 LEU 43 HD22 LEU 43 12.991 9.804 1.781 343 3HD2 LEU 43 HD21 LEU 43 12.528 8.241 1.104 344 H ASN 44 HN ASN 44 8.769 11.104 -1.787 345 HA ASN 44 HA ASN 44 8.880 13.421 -0.072 346 1HB ASN 44 HB2 ASN 44 8.558 12.894 -2.989 347 2HB ASN 44 HB1 ASN 44 8.046 14.471 -2.392 348 1HD2 ASN 44 HD22 ASN 44 11.970 13.736 -2.840 349 2HD2 ASN 44 HD21 ASN 44 10.762 12.708 -3.444 350 H LYS 45 HN LYS 45 6.271 11.543 -1.461 351 HA LYS 45 HA LYS 45 4.265 13.606 -0.835 352 1HB LYS 45 HB2 LYS 45 4.359 11.137 -2.396 353 2HB LYS 45 HB1 LYS 45 2.891 11.268 -1.427 354 1HG LYS 45 HG2 LYS 45 2.356 13.413 -2.381 355 2HG LYS 45 HG1 LYS 45 3.924 13.507 -3.184 356 1HD LYS 45 HD2 LYS 45 3.297 11.428 -4.470 357 2HD LYS 45 HD1 LYS 45 1.678 11.566 -3.786 358 1HE LYS 45 HE2 LYS 45 3.088 13.592 -5.544 359 2HE LYS 45 HE1 LYS 45 1.664 12.637 -5.959 360 1HZ LYS 45 HZ2 LYS 45 0.860 13.814 -3.706 361 2HZ LYS 45 HZ1 LYS 45 1.883 15.020 -4.326 362 3HZ LYS 45 HZ3 LYS 45 0.582 14.454 -5.255 363 H LEU 46 HN LEU 46 5.270 10.439 0.445 364 HA LEU 46 HA LEU 46 3.265 9.902 2.303 365 1HB LEU 46 HB2 LEU 46 6.076 9.243 2.015 366 2HB LEU 46 HB1 LEU 46 5.686 9.495 3.710 367 HG LEU 46 HG LEU 46 5.385 7.127 3.008 368 1HD1 LEU 46 HD11 LEU 46 3.567 8.771 4.428 369 2HD1 LEU 46 HD13 LEU 46 2.602 7.640 3.478 370 3HD1 LEU 46 HD12 LEU 46 3.820 7.034 4.601 371 1HD2 LEU 46 HD23 LEU 46 4.130 8.312 0.749 372 2HD2 LEU 46 HD22 LEU 46 4.353 6.596 1.083 373 3HD2 LEU 46 HD21 LEU 46 2.885 7.413 1.617 374 H GLN 47 HN GLN 47 5.314 12.643 2.187 375 HA GLN 47 HA GLN 47 4.872 13.325 5.033 376 1HB GLN 47 HB2 GLN 47 6.425 14.618 2.780 377 2HB GLN 47 HB1 GLN 47 6.163 15.432 4.323 378 1HG GLN 47 HG2 GLN 47 7.174 13.478 5.491 379 2HG GLN 47 HG1 GLN 47 7.509 12.745 3.923 380 1HE2 GLN 47 HE22 GLN 47 9.550 16.226 4.761 381 2HE2 GLN 47 HE21 GLN 47 7.926 16.090 5.237 382 H ALA 48 HN ALA 48 2.734 13.159 2.866 383 HA ALA 48 HA ALA 48 1.843 15.804 2.287 384 1HB ALA 48 HB3 ALA 48 0.265 13.223 2.478 385 2HB ALA 48 HB2 ALA 48 -0.329 14.723 1.764 386 3HB ALA 48 HB1 ALA 48 1.023 13.867 1.020 387 H GLY 49 HN GLY 49 0.372 13.437 4.540 388 1HA GLY 49 HA2 GLY 49 0.326 15.300 6.742 389 2HA GLY 49 HA1 GLY 49 -1.235 15.303 5.924 390 H GLY 50 HN GLY 50 0.619 12.350 5.945 391 1HA GLY 50 HA2 GLY 50 0.428 10.490 7.475 392 2HA GLY 50 HA1 GLY 50 -0.929 11.306 8.259 393 OH TYR 51 OH TYR 51 -0.502 11.742 -0.860 394 H TYR 51 HN TYR 51 0.042 9.531 5.383 395 HA TYR 51 HA TYR 51 -2.482 9.532 4.098 396 1HB TYR 51 HB2 TYR 51 0.010 7.924 3.911 397 2HB TYR 51 HB1 TYR 51 -1.442 7.235 3.184 398 HD1 TYR 51 HD2 TYR 51 -2.641 8.414 1.397 399 HD2 TYR 51 HD1 TYR 51 1.010 9.945 3.048 400 HE1 TYR 51 HE2 TYR 51 -2.453 9.994 -0.496 401 HE2 TYR 51 HE1 TYR 51 1.204 11.529 1.149 402 HH TYR 51 HH TYR 51 -0.368 12.623 -0.502 403 H GLY 52 HN GLY 52 -1.087 7.312 6.408 404 1HA GLY 52 HA2 GLY 52 -2.239 5.979 7.995 405 2HA GLY 52 HA1 GLY 52 -3.746 6.361 7.161 406 H PHE 53 HN PHE 53 -2.428 5.726 4.526 407 HA PHE 53 HA PHE 53 -1.910 2.829 4.731 408 1HB PHE 53 HB2 PHE 53 -4.518 3.755 4.370 409 2HB PHE 53 HB1 PHE 53 -3.990 3.296 2.757 410 HD1 PHE 53 HD2 PHE 53 -4.225 2.068 6.271 411 HD2 PHE 53 HD1 PHE 53 -3.853 1.013 2.143 412 HE1 PHE 53 HE2 PHE 53 -4.600 -0.290 6.848 413 HE2 PHE 53 HE1 PHE 53 -4.249 -1.350 2.701 414 HZ PHE 53 HZ PHE 53 -4.611 -2.022 5.066 415 H VAL 54 HN VAL 54 -0.771 2.058 2.917 416 HA VAL 54 HA VAL 54 -0.514 3.894 0.579 417 HB VAL 54 HB VAL 54 1.874 2.612 1.902 418 1HG1 VAL 54 HG11 VAL 54 1.459 3.830 -0.633 419 2HG1 VAL 54 HG13 VAL 54 2.448 4.930 0.327 420 3HG1 VAL 54 HG12 VAL 54 2.976 3.269 0.064 421 1HG2 VAL 54 HG22 VAL 54 0.789 5.429 2.141 422 2HG2 VAL 54 HG21 VAL 54 1.005 4.264 3.449 423 3HG2 VAL 54 HG23 VAL 54 2.413 4.959 2.645 424 H ILE 55 HN ILE 55 -0.796 2.772 -1.238 425 HA ILE 55 HA ILE 55 -0.371 -0.198 -1.213 426 HB ILE 55 HB ILE 55 -2.031 1.490 -3.122 427 1HG1 ILE 55 HG12 ILE 55 -2.976 -0.234 -0.809 428 2HG1 ILE 55 HG11 ILE 55 -2.869 1.526 -0.748 429 1HG2 ILE 55 HG21 ILE 55 -1.888 -1.490 -2.605 430 2HG2 ILE 55 HG23 ILE 55 -3.006 -0.704 -3.720 431 3HG2 ILE 55 HG22 ILE 55 -1.271 -0.656 -4.034 432 1HD1 ILE 55 HD12 ILE 55 -4.253 0.736 -3.147 433 2HD1 ILE 55 HD11 ILE 55 -5.012 -0.028 -1.751 434 3HD1 ILE 55 HD13 ILE 55 -4.841 1.726 -1.811 435 H SER 56 HN SER 56 1.732 -0.477 -2.021 436 HA SER 56 HA SER 56 2.407 0.983 -4.557 437 1HB SER 56 HB2 SER 56 4.596 1.355 -3.816 438 2HB SER 56 HB1 SER 56 3.644 1.640 -2.363 439 HG SER 56 HG SER 56 5.167 0.243 -1.711 440 H ASP 57 HN ASP 57 3.442 -0.207 -6.158 441 HA ASP 57 HA ASP 57 3.020 -3.044 -6.180 442 1HB ASP 57 HB2 ASP 57 4.639 -1.196 -7.942 443 2HB ASP 57 HB1 ASP 57 4.538 -2.933 -8.237 444 CH2 TRP 58 CH2 TRP 58 10.904 -5.598 -1.498 445 H TRP 58 HN TRP 58 6.099 -2.724 -7.380 446 HA TRP 58 HA TRP 58 7.680 -2.904 -4.984 447 1HB TRP 58 HB2 TRP 58 6.521 -5.011 -4.638 448 2HB TRP 58 HB1 TRP 58 6.841 -5.506 -6.298 449 HD1 TRP 58 HD1 TRP 58 9.147 -6.537 -6.844 450 HE1 TRP 58 HE1 TRP 58 11.192 -7.189 -5.416 451 HE3 TRP 58 HE3 TRP 58 7.925 -4.241 -2.448 452 HZ2 TRP 58 HZ2 TRP 58 12.171 -6.796 -2.763 453 HZ3 TRP 58 HZ3 TRP 58 9.437 -4.388 -0.490 454 HH2 TRP 58 HH2 TRP 58 11.560 -5.656 -0.642 455 H ASN 59 HN ASN 59 9.803 -2.636 -5.569 456 HA ASN 59 HA ASN 59 11.691 -2.424 -6.943 457 1HB ASN 59 HB2 ASN 59 10.989 -4.929 -7.302 458 2HB ASN 59 HB1 ASN 59 10.472 -4.361 -8.890 459 1HD2 ASN 59 HD22 ASN 59 14.453 -4.634 -8.033 460 2HD2 ASN 59 HD21 ASN 59 13.294 -4.890 -6.820 461 H MET 60 HN MET 60 12.145 -0.822 -8.355 462 HA MET 60 HA MET 60 11.003 -0.442 -10.893 463 1HB MET 60 HB2 MET 60 9.254 0.466 -8.809 464 2HB MET 60 HB1 MET 60 9.847 1.867 -9.703 465 1HG MET 60 HG2 MET 60 8.660 -0.606 -10.989 466 2HG MET 60 HG1 MET 60 7.782 0.896 -10.707 467 1HE MET 60 HE1 MET 60 8.408 3.050 -11.392 468 2HE MET 60 HE3 MET 60 9.036 3.442 -12.998 469 3HE MET 60 HE2 MET 60 7.526 2.551 -12.833 470 HA PRO 61 HA PRO 61 13.420 3.531 -9.624 471 1HB PRO 61 HB2 PRO 61 14.633 3.111 -7.052 472 2HB PRO 61 HB1 PRO 61 13.467 4.359 -7.508 473 1HG PRO 61 HG2 PRO 61 13.003 2.101 -5.812 474 2HG PRO 61 HG1 PRO 61 11.815 3.290 -6.363 475 1HD PRO 61 HD2 PRO 61 12.151 0.536 -7.215 476 2HD PRO 61 HD1 PRO 61 10.858 1.674 -7.631 477 H ASN 62 HN ASN 62 14.962 1.096 -7.516 478 HA ASN 62 HA ASN 62 16.698 0.061 -9.579 479 1HB ASN 62 HB2 ASN 62 18.742 1.113 -9.067 480 2HB ASN 62 HB1 ASN 62 17.591 2.449 -9.035 481 1HD2 ASN 62 HD22 ASN 62 17.584 2.516 -5.364 482 2HD2 ASN 62 HD21 ASN 62 16.461 2.533 -6.637 483 H MET 63 HN MET 63 16.046 0.588 -6.152 484 HA MET 63 HA MET 63 17.390 -1.991 -5.491 485 1HB MET 63 HB2 MET 63 16.691 0.476 -3.972 486 2HB MET 63 HB1 MET 63 16.631 -1.051 -3.090 487 1HG MET 63 HG2 MET 63 18.919 -1.529 -3.560 488 2HG MET 63 HG1 MET 63 19.009 -0.259 -4.781 489 1HE MET 63 HE1 MET 63 21.144 0.680 -3.794 490 2HE MET 63 HE3 MET 63 20.005 1.897 -4.388 491 3HE MET 63 HE2 MET 63 20.901 2.177 -2.897 492 H ASP 64 HN ASP 64 14.715 -0.619 -3.669 493 HA ASP 64 HA ASP 64 12.643 -2.264 -4.807 494 1HB ASP 64 HB2 ASP 64 12.565 -3.609 -2.473 495 2HB ASP 64 HB1 ASP 64 13.419 -4.223 -3.890 496 H GLY 65 HN GLY 65 10.738 -2.389 -3.095 497 1HA GLY 65 HA2 GLY 65 10.312 0.335 -2.178 498 2HA GLY 65 HA1 GLY 65 9.188 -1.005 -1.965 499 H LEU 66 HN LEU 66 12.513 -1.312 -0.923 500 HA LEU 66 HA LEU 66 11.600 -1.744 1.832 501 1HB LEU 66 HB2 LEU 66 14.354 -1.811 0.559 502 2HB LEU 66 HB1 LEU 66 14.056 -2.163 2.259 503 HG LEU 66 HG LEU 66 12.824 -3.656 -0.080 504 1HD1 LEU 66 HD11 LEU 66 15.393 -3.862 1.118 505 2HD1 LEU 66 HD13 LEU 66 14.455 -5.253 1.661 506 3HD1 LEU 66 HD12 LEU 66 14.662 -4.948 -0.063 507 1HD2 LEU 66 HD22 LEU 66 12.410 -3.695 2.875 508 2HD2 LEU 66 HD21 LEU 66 11.278 -4.056 1.574 509 3HD2 LEU 66 HD23 LEU 66 12.471 -5.258 2.060 510 H GLU 67 HN GLU 67 14.004 0.429 0.298 511 HA GLU 67 HA GLU 67 14.528 2.082 2.496 512 1HB GLU 67 HB2 GLU 67 15.055 2.169 -0.249 513 2HB GLU 67 HB1 GLU 67 14.136 3.643 0.058 514 1HG GLU 67 HG2 GLU 67 15.679 4.237 1.885 515 2HG GLU 67 HG1 GLU 67 16.595 2.757 1.596 516 H LEU 68 HN LEU 68 11.632 1.631 0.729 517 HA LEU 68 HA LEU 68 10.345 4.141 1.456 518 1HB LEU 68 HB2 LEU 68 9.673 1.646 0.021 519 2HB LEU 68 HB1 LEU 68 8.324 2.354 0.898 520 HG LEU 68 HG LEU 68 10.059 4.018 -0.913 521 1HD1 LEU 68 HD13 LEU 68 8.177 1.928 -1.674 522 2HD1 LEU 68 HD12 LEU 68 7.605 3.504 -2.206 523 3HD1 LEU 68 HD11 LEU 68 9.195 2.931 -2.705 524 1HD2 LEU 68 HD21 LEU 68 8.171 4.728 0.914 525 2HD2 LEU 68 HD23 LEU 68 8.506 5.657 -0.547 526 3HD2 LEU 68 HD22 LEU 68 7.166 4.510 -0.514 527 H LEU 69 HN LEU 69 9.446 0.801 2.260 528 HA LEU 69 HA LEU 69 7.896 1.236 4.536 529 1HB LEU 69 HB2 LEU 69 9.205 -0.938 3.300 530 2HB LEU 69 HB1 LEU 69 9.670 -0.992 4.993 531 HG LEU 69 HG LEU 69 6.798 -0.758 4.072 532 1HD1 LEU 69 HD13 LEU 69 8.583 -3.049 4.039 533 2HD1 LEU 69 HD12 LEU 69 7.262 -3.312 5.171 534 3HD1 LEU 69 HD11 LEU 69 6.916 -2.936 3.482 535 1HD2 LEU 69 HD22 LEU 69 8.058 -0.570 6.633 536 2HD2 LEU 69 HD21 LEU 69 6.332 -0.586 6.285 537 3HD2 LEU 69 HD23 LEU 69 7.187 -2.099 6.583 538 H LYS 70 HN LYS 70 11.334 0.288 4.707 539 HA LYS 70 HA LYS 70 11.852 0.791 7.373 540 1HB LYS 70 HB2 LYS 70 13.473 0.000 5.530 541 2HB LYS 70 HB1 LYS 70 13.788 1.713 5.246 542 1HG LYS 70 HG2 LYS 70 14.420 1.992 7.618 543 2HG LYS 70 HG1 LYS 70 14.117 0.277 7.897 544 1HD LYS 70 HD2 LYS 70 15.796 0.023 5.837 545 2HD LYS 70 HD1 LYS 70 16.357 1.591 6.422 546 1HE LYS 70 HE2 LYS 70 17.674 0.070 7.642 547 2HE LYS 70 HE1 LYS 70 16.369 0.456 8.764 548 1HZ LYS 70 HZ2 LYS 70 15.601 -1.670 7.070 549 2HZ LYS 70 HZ1 LYS 70 17.083 -2.041 7.815 550 3HZ LYS 70 HZ3 LYS 70 15.732 -1.649 8.763 551 H THR 71 HN THR 71 11.974 3.248 4.761 552 HA THR 71 HA THR 71 12.594 5.412 6.557 553 HB THR 71 HB THR 71 11.299 5.429 3.815 554 HG1 THR 71 HG1 THR 71 13.340 5.748 3.109 555 1HG2 THR 71 HG21 THR 71 11.966 7.568 5.755 556 2HG2 THR 71 HG23 THR 71 12.471 7.855 4.090 557 3HG2 THR 71 HG22 THR 71 10.771 7.557 4.458 558 H ILE 72 HN ILE 72 9.611 3.828 5.640 559 HA ILE 72 HA ILE 72 7.880 5.966 6.615 560 HB ILE 72 HB ILE 72 7.361 3.055 5.954 561 1HG1 ILE 72 HG12 ILE 72 6.281 5.458 4.499 562 2HG1 ILE 72 HG11 ILE 72 7.927 4.918 4.179 563 1HG2 ILE 72 HG23 ILE 72 5.622 5.190 7.118 564 2HG2 ILE 72 HG22 ILE 72 4.913 4.108 5.918 565 3HG2 ILE 72 HG21 ILE 72 5.603 3.448 7.401 566 1HD1 ILE 72 HD12 ILE 72 5.926 2.747 4.191 567 2HD1 ILE 72 HD11 ILE 72 5.701 3.933 2.911 568 3HD1 ILE 72 HD13 ILE 72 7.225 3.067 3.051 569 NH1 ARG 73 NH1 ARG 73 13.936 2.380 11.781 570 NH2 ARG 73 NH2 ARG 73 13.471 3.130 13.861 571 H ARG 73 HN ARG 73 9.735 3.492 8.079 572 HA ARG 73 HA ARG 73 8.013 3.234 10.448 573 1HB ARG 73 HB2 ARG 73 9.461 1.356 9.596 574 2HB ARG 73 HB1 ARG 73 10.874 2.301 10.070 575 1HG ARG 73 HG2 ARG 73 9.149 2.331 12.302 576 2HG ARG 73 HG1 ARG 73 9.156 0.665 11.720 577 1HD ARG 73 HD2 ARG 73 10.981 0.973 13.315 578 2HD ARG 73 HD1 ARG 73 11.649 0.718 11.703 579 HE ARG 73 HE ARG 73 11.296 3.537 12.264 580 1HH1 ARG 73 HH11 ARG 73 13.625 2.079 10.879 581 2HH1 ARG 73 HH12 ARG 73 14.913 2.406 11.990 582 1HH2 ARG 73 HH21 ARG 73 12.804 3.405 14.555 583 2HH2 ARG 73 HH22 ARG 73 14.449 3.157 14.070 584 H ALA 74 HN ALA 74 10.767 5.124 9.407 585 HA ALA 74 HA ALA 74 11.872 5.954 11.842 586 1HB ALA 74 HB2 ALA 74 11.473 7.320 9.198 587 2HB ALA 74 HB1 ALA 74 12.115 8.240 10.560 588 3HB ALA 74 HB3 ALA 74 12.975 6.815 9.975 589 H ASP 75 HN ASP 75 8.797 6.834 10.400 590 HA ASP 75 HA ASP 75 8.146 9.164 11.809 591 1HB ASP 75 HB2 ASP 75 6.696 7.056 10.443 592 2HB ASP 75 HB1 ASP 75 5.809 7.597 11.869 593 H GLY 76 HN GLY 76 8.284 9.529 13.965 594 1HA GLY 76 HA2 GLY 76 8.296 7.310 15.869 595 2HA GLY 76 HA1 GLY 76 8.462 9.021 16.270 596 H ALA 77 HN ALA 77 6.011 9.763 14.792 597 HA ALA 77 HA ALA 77 4.127 9.489 16.928 598 1HB ALA 77 HB3 ALA 77 4.259 10.825 14.386 599 2HB ALA 77 HB2 ALA 77 2.708 9.997 14.521 600 3HB ALA 77 HB1 ALA 77 3.193 11.164 15.750 601 H MET 78 HN MET 78 3.863 8.134 13.616 602 HA MET 78 HA MET 78 2.050 6.054 14.678 603 1HB MET 78 HB2 MET 78 2.164 7.446 12.265 604 2HB MET 78 HB1 MET 78 2.736 5.828 11.856 605 1HG MET 78 HG2 MET 78 0.324 5.849 11.624 606 2HG MET 78 HG1 MET 78 0.729 4.892 13.050 607 1HE MET 78 HE2 MET 78 -0.700 8.092 11.565 608 2HE MET 78 HE1 MET 78 -1.885 6.828 11.884 609 3HE MET 78 HE3 MET 78 -1.992 8.378 12.728 610 H SER 79 HN SER 79 5.111 6.264 12.874 611 HA SER 79 HA SER 79 6.775 4.630 12.533 612 1HB SER 79 HB2 SER 79 6.269 4.941 15.301 613 2HB SER 79 HB1 SER 79 6.440 3.210 15.024 614 HG SER 79 HG SER 79 8.303 4.308 13.589 615 H ALA 80 HN ALA 80 3.703 3.904 12.277 616 HA ALA 80 HA ALA 80 4.252 1.079 11.608 617 1HB ALA 80 HB3 ALA 80 2.805 1.874 13.971 618 2HB ALA 80 HB2 ALA 80 1.705 1.058 12.860 619 3HB ALA 80 HB1 ALA 80 3.173 0.246 13.401 620 H LEU 81 HN LEU 81 3.414 3.808 10.368 621 HA LEU 81 HA LEU 81 0.840 3.867 9.408 622 1HB LEU 81 HB2 LEU 81 3.104 5.187 8.736 623 2HB LEU 81 HB1 LEU 81 2.883 4.195 7.297 624 HG LEU 81 HG LEU 81 0.481 4.984 7.217 625 1HD1 LEU 81 HD13 LEU 81 1.414 6.433 9.630 626 2HD1 LEU 81 HD12 LEU 81 0.494 7.399 8.480 627 3HD1 LEU 81 HD11 LEU 81 -0.213 5.939 9.166 628 1HD2 LEU 81 HD22 LEU 81 2.751 6.967 6.964 629 2HD2 LEU 81 HD21 LEU 81 2.042 5.973 5.693 630 3HD2 LEU 81 HD23 LEU 81 1.117 7.300 6.393 631 HA PRO 82 HA PRO 82 0.735 -0.335 7.665 632 1HB PRO 82 HB2 PRO 82 -1.868 0.189 6.542 633 2HB PRO 82 HB1 PRO 82 -1.449 -0.852 7.903 634 1HG PRO 82 HG2 PRO 82 -2.764 1.687 8.009 635 2HG PRO 82 HG1 PRO 82 -2.261 0.685 9.370 636 1HD PRO 82 HD2 PRO 82 -1.103 3.166 8.463 637 2HD PRO 82 HD1 PRO 82 -0.641 2.183 9.870 638 H VAL 83 HN VAL 83 1.444 -1.038 5.757 639 HA VAL 83 HA VAL 83 0.901 0.528 3.261 640 HB VAL 83 HB VAL 83 3.517 -0.633 4.246 641 1HG1 VAL 83 HG12 VAL 83 2.506 -0.206 1.452 642 2HG1 VAL 83 HG11 VAL 83 4.208 0.096 1.790 643 3HG1 VAL 83 HG13 VAL 83 3.523 -1.501 2.087 644 1HG2 VAL 83 HG22 VAL 83 2.450 2.006 4.034 645 2HG2 VAL 83 HG21 VAL 83 4.031 1.495 4.604 646 3HG2 VAL 83 HG23 VAL 83 3.792 1.841 2.895 647 H LEU 84 HN LEU 84 -0.416 -0.980 2.163 648 HA LEU 84 HA LEU 84 0.347 -3.779 2.533 649 1HB LEU 84 HB2 LEU 84 -2.083 -3.122 2.551 650 2HB LEU 84 HB1 LEU 84 -1.922 -2.670 0.865 651 HG LEU 84 HG LEU 84 -1.955 -4.844 0.133 652 1HD1 LEU 84 HD11 LEU 84 -0.709 -5.755 2.754 653 2HD1 LEU 84 HD13 LEU 84 -1.124 -6.811 1.410 654 3HD1 LEU 84 HD12 LEU 84 0.137 -5.606 1.207 655 1HD2 LEU 84 HD21 LEU 84 -3.980 -4.544 1.508 656 2HD2 LEU 84 HD23 LEU 84 -3.446 -6.225 1.522 657 3HD2 LEU 84 HD22 LEU 84 -3.121 -5.187 2.908 658 H MET 85 HN MET 85 2.156 -4.195 1.434 659 HA MET 85 HA MET 85 2.800 -2.920 -1.057 660 1HB MET 85 HB2 MET 85 4.284 -4.220 0.760 661 2HB MET 85 HB1 MET 85 4.020 -5.563 -0.353 662 1HG MET 85 HG2 MET 85 6.034 -4.469 -1.066 663 2HG MET 85 HG1 MET 85 4.780 -4.018 -2.221 664 1HE MET 85 HE2 MET 85 7.640 -2.877 -0.399 665 2HE MET 85 HE1 MET 85 7.237 -1.423 0.512 666 3HE MET 85 HE3 MET 85 6.647 -3.002 1.051 667 H VAL 86 HN VAL 86 2.174 -3.454 -3.057 668 HA VAL 86 HA VAL 86 0.556 -5.913 -3.434 669 HB VAL 86 HB VAL 86 0.941 -3.649 -5.389 670 1HG1 VAL 86 HG11 VAL 86 -0.104 -5.854 -6.066 671 2HG1 VAL 86 HG13 VAL 86 -1.400 -5.491 -4.933 672 3HG1 VAL 86 HG12 VAL 86 -1.120 -4.433 -6.312 673 1HG2 VAL 86 HG21 VAL 86 -0.744 -3.839 -2.913 674 2HG2 VAL 86 HG23 VAL 86 0.141 -2.455 -3.556 675 3HG2 VAL 86 HG22 VAL 86 -1.365 -2.972 -4.318 676 H THR 87 HN THR 87 1.185 -7.525 -4.875 677 HA THR 87 HA THR 87 3.533 -6.999 -6.613 678 HB THR 87 HB THR 87 3.606 -8.674 -4.158 679 HG1 THR 87 HG1 THR 87 4.919 -6.692 -5.236 680 1HG2 THR 87 HG22 THR 87 4.801 -9.533 -6.801 681 2HG2 THR 87 HG21 THR 87 5.457 -10.056 -5.253 682 3HG2 THR 87 HG23 THR 87 3.808 -10.488 -5.695 683 H ALA 88 HN ALA 88 3.256 -8.027 -8.523 684 HA ALA 88 HA ALA 88 0.935 -9.652 -9.000 685 1HB ALA 88 HB1 ALA 88 3.124 -8.535 -10.554 686 2HB ALA 88 HB3 ALA 88 2.758 -10.182 -11.065 687 3HB ALA 88 HB2 ALA 88 1.492 -8.954 -11.074 688 H GLU 89 HN GLU 89 0.928 -11.486 -7.694 689 HA GLU 89 HA GLU 89 1.390 -13.754 -7.256 690 1HB GLU 89 HB2 GLU 89 2.283 -13.497 -9.796 691 2HB GLU 89 HB1 GLU 89 3.814 -13.813 -8.977 692 1HG GLU 89 HG2 GLU 89 2.525 -15.756 -7.816 693 2HG GLU 89 HG1 GLU 89 1.363 -15.558 -9.128 694 H ALA 90 HN ALA 90 2.208 -13.964 -5.232 695 HA ALA 90 HA ALA 90 4.229 -12.508 -4.010 696 1HB ALA 90 HB1 ALA 90 2.803 -14.940 -3.453 697 2HB ALA 90 HB3 ALA 90 4.500 -15.164 -3.029 698 3HB ALA 90 HB2 ALA 90 3.581 -13.840 -2.317 699 H LYS 91 HN LYS 91 6.023 -12.121 -5.352 700 HA LYS 91 HA LYS 91 7.458 -14.221 -6.717 701 1HB LYS 91 HB2 LYS 91 7.831 -11.323 -6.200 702 2HB LYS 91 HB1 LYS 91 9.311 -12.244 -6.473 703 1HG LYS 91 HG2 LYS 91 6.962 -12.603 -8.320 704 2HG LYS 91 HG1 LYS 91 8.043 -11.227 -8.529 705 1HD LYS 91 HD2 LYS 91 9.246 -13.951 -8.202 706 2HD LYS 91 HD1 LYS 91 8.543 -13.517 -9.760 707 1HE LYS 91 HE2 LYS 91 10.369 -11.546 -8.448 708 2HE LYS 91 HE1 LYS 91 11.089 -12.970 -9.200 709 1HZ LYS 91 HZ2 LYS 91 9.563 -12.349 -11.164 710 2HZ LYS 91 HZ1 LYS 91 9.517 -10.812 -10.442 711 3HZ LYS 91 HZ3 LYS 91 11.000 -11.473 -10.930 712 H LYS 92 HN LYS 92 7.013 -14.070 -3.580 713 HA LYS 92 HA LYS 92 8.176 -14.843 -1.709 714 1HB LYS 92 HB2 LYS 92 10.218 -15.932 -3.659 715 2HB LYS 92 HB1 LYS 92 9.798 -16.556 -2.066 716 1HG LYS 92 HG2 LYS 92 7.540 -17.124 -2.874 717 2HG LYS 92 HG1 LYS 92 7.950 -16.494 -4.470 718 1HD LYS 92 HD2 LYS 92 8.762 -18.522 -5.005 719 2HD LYS 92 HD1 LYS 92 10.023 -18.287 -3.795 720 1HE LYS 92 HE2 LYS 92 8.885 -20.345 -3.260 721 2HE LYS 92 HE1 LYS 92 8.400 -19.147 -2.060 722 1HZ LYS 92 HZ2 LYS 92 6.740 -19.158 -4.405 723 2HZ LYS 92 HZ1 LYS 92 6.710 -20.633 -3.561 724 3HZ LYS 92 HZ3 LYS 92 6.301 -19.193 -2.764 725 H GLU 93 HN GLU 93 11.021 -14.333 -3.798 726 HA GLU 93 HA GLU 93 12.654 -13.116 -1.933 727 1HB GLU 93 HB2 GLU 93 12.403 -12.467 -4.883 728 2HB GLU 93 HB1 GLU 93 13.743 -11.936 -3.865 729 1HG GLU 93 HG2 GLU 93 14.069 -14.409 -3.265 730 2HG GLU 93 HG1 GLU 93 12.979 -14.766 -4.604 731 H ASN 94 HN ASN 94 10.305 -11.435 -4.039 732 HA ASN 94 HA ASN 94 10.850 -8.827 -2.962 733 1HB ASN 94 HB2 ASN 94 8.351 -9.849 -4.311 734 2HB ASN 94 HB1 ASN 94 8.818 -8.171 -4.135 735 1HD2 ASN 94 HD22 ASN 94 9.947 -9.125 -7.518 736 2HD2 ASN 94 HD21 ASN 94 8.472 -8.851 -6.723 737 H ILE 95 HN ILE 95 7.744 -10.551 -2.663 738 HA ILE 95 HA ILE 95 6.727 -9.140 -0.511 739 HB ILE 95 HB ILE 95 5.270 -10.701 -1.486 740 1HG1 ILE 95 HG12 ILE 95 5.793 -11.001 1.345 741 2HG1 ILE 95 HG11 ILE 95 4.299 -11.143 0.484 742 1HG2 ILE 95 HG23 ILE 95 6.994 -12.148 -2.447 743 2HG2 ILE 95 HG22 ILE 95 7.247 -12.891 -0.872 744 3HG2 ILE 95 HG21 ILE 95 5.705 -13.083 -1.708 745 1HD1 ILE 95 HD13 ILE 95 4.754 -13.504 -0.013 746 2HD1 ILE 95 HD12 ILE 95 6.290 -13.381 0.854 747 3HD1 ILE 95 HD11 ILE 95 4.768 -13.192 1.721 748 H ILE 96 HN ILE 96 8.766 -12.094 -0.197 749 HA ILE 96 HA ILE 96 8.903 -12.013 2.629 750 HB ILE 96 HB ILE 96 11.049 -12.910 0.680 751 1HG1 ILE 96 HG12 ILE 96 9.023 -14.581 2.190 752 2HG1 ILE 96 HG11 ILE 96 8.750 -14.008 0.543 753 1HG2 ILE 96 HG23 ILE 96 10.875 -12.847 3.618 754 2HG2 ILE 96 HG22 ILE 96 11.290 -14.429 2.957 755 3HG2 ILE 96 HG21 ILE 96 12.288 -13.025 2.579 756 1HD1 ILE 96 HD12 ILE 96 11.113 -15.689 1.430 757 2HD1 ILE 96 HD11 ILE 96 9.700 -16.301 0.571 758 3HD1 ILE 96 HD13 ILE 96 10.782 -15.152 -0.217 759 H ALA 97 HN ALA 97 10.646 -10.136 0.211 760 HA ALA 97 HA ALA 97 12.565 -9.059 2.093 761 1HB ALA 97 HB1 ALA 97 11.642 -7.975 -0.583 762 2HB ALA 97 HB3 ALA 97 13.025 -7.379 0.329 763 3HB ALA 97 HB2 ALA 97 13.033 -9.020 -0.315 764 H ALA 98 HN ALA 98 9.487 -7.863 0.744 765 HA ALA 98 HA ALA 98 9.489 -5.389 2.208 766 1HB ALA 98 HB1 ALA 98 7.636 -6.824 0.514 767 2HB ALA 98 HB3 ALA 98 6.805 -6.213 1.944 768 3HB ALA 98 HB2 ALA 98 7.682 -5.102 0.892 769 H ALA 99 HN ALA 99 7.944 -8.538 2.874 770 HA ALA 99 HA ALA 99 6.833 -7.757 5.349 771 1HB ALA 99 HB1 ALA 99 7.122 -10.182 3.837 772 2HB ALA 99 HB3 ALA 99 7.582 -10.507 5.508 773 3HB ALA 99 HB2 ALA 99 5.991 -9.840 5.147 774 H GLN 100 HN GLN 100 10.075 -8.831 4.428 775 HA GLN 100 HA GLN 100 11.135 -9.456 6.981 776 1HB GLN 100 HB2 GLN 100 12.194 -8.899 4.393 777 2HB GLN 100 HB1 GLN 100 13.021 -7.830 5.523 778 1HG GLN 100 HG2 GLN 100 14.270 -9.894 5.431 779 2HG GLN 100 HG1 GLN 100 13.445 -9.841 6.989 780 1HE2 GLN 100 HE22 GLN 100 11.334 -12.606 6.269 781 2HE2 GLN 100 HE21 GLN 100 11.638 -11.314 7.328 782 H ALA 101 HN ALA 101 10.323 -6.460 5.405 783 HA ALA 101 HA ALA 101 11.320 -4.801 7.637 784 1HB ALA 101 HB1 ALA 101 10.308 -4.360 4.895 785 2HB ALA 101 HB3 ALA 101 9.742 -3.169 6.065 786 3HB ALA 101 HB2 ALA 101 11.472 -3.413 5.821 787 H GLY 102 HN GLY 102 8.564 -6.464 6.514 788 1HA GLY 102 HA2 GLY 102 6.488 -6.889 7.443 789 2HA GLY 102 HA1 GLY 102 7.164 -6.296 8.945 790 H ALA 103 HN ALA 103 5.563 -5.239 5.929 791 HA ALA 103 HA ALA 103 5.041 -2.627 7.225 792 1HB ALA 103 HB3 ALA 103 5.089 -3.816 4.575 793 2HB ALA 103 HB2 ALA 103 3.664 -2.843 4.800 794 3HB ALA 103 HB1 ALA 103 5.210 -2.133 5.022 795 H SER 104 HN SER 104 2.502 -3.475 5.310 796 HA SER 104 HA SER 104 0.720 -3.982 7.631 797 1HB SER 104 HB2 SER 104 0.111 -3.320 4.752 798 2HB SER 104 HB1 SER 104 -1.124 -3.777 5.907 799 HG SER 104 HG SER 104 0.009 -2.015 7.215 800 H GLY 105 HN GLY 105 1.425 -5.196 4.440 801 1HA GLY 105 HA2 GLY 105 1.627 -7.943 5.029 802 2HA GLY 105 HA1 GLY 105 -0.048 -7.641 4.619 803 OH TYR 106 OH TYR 106 1.440 -12.974 -3.631 804 H TYR 106 HN TYR 106 0.443 -9.061 2.733 805 HA TYR 106 HA TYR 106 1.449 -7.416 0.467 806 1HB TYR 106 HB2 TYR 106 3.312 -8.690 0.358 807 2HB TYR 106 HB1 TYR 106 2.666 -9.857 1.511 808 HD1 TYR 106 HD2 TYR 106 2.526 -8.828 -2.091 809 HD2 TYR 106 HD1 TYR 106 1.779 -11.934 0.784 810 HE1 TYR 106 HE2 TYR 106 2.086 -10.432 -3.925 811 HE2 TYR 106 HE1 TYR 106 1.347 -13.531 -1.050 812 HH TYR 106 HH TYR 106 0.758 -13.584 -3.338 813 H VAL 107 HN VAL 107 -0.233 -7.296 -0.891 814 HA VAL 107 HA VAL 107 -2.077 -9.639 -1.120 815 HB VAL 107 HB VAL 107 -3.029 -7.389 -0.460 816 1HG1 VAL 107 HG12 VAL 107 -1.351 -6.276 -2.150 817 2HG1 VAL 107 HG11 VAL 107 -2.627 -6.593 -3.325 818 3HG1 VAL 107 HG13 VAL 107 -2.952 -5.571 -1.927 819 1HG2 VAL 107 HG23 VAL 107 -3.855 -9.071 -2.762 820 2HG2 VAL 107 HG22 VAL 107 -4.758 -8.616 -1.319 821 3HG2 VAL 107 HG21 VAL 107 -4.623 -7.488 -2.666 822 H VAL 108 HN VAL 108 -2.237 -10.656 -3.098 823 HA VAL 108 HA VAL 108 -0.287 -9.868 -5.139 824 HB VAL 108 HB VAL 108 -0.481 -12.223 -4.829 825 1HG1 VAL 108 HG13 VAL 108 -3.453 -11.694 -4.935 826 2HG1 VAL 108 HG12 VAL 108 -2.791 -13.314 -5.148 827 3HG1 VAL 108 HG11 VAL 108 -2.522 -12.443 -3.638 828 1HG2 VAL 108 HG22 VAL 108 -0.774 -11.158 -7.270 829 2HG2 VAL 108 HG21 VAL 108 -0.807 -12.902 -7.011 830 3HG2 VAL 108 HG23 VAL 108 -2.317 -12.006 -7.175 831 H LYS 109 HN LYS 109 -0.845 -9.109 -7.236 832 HA LYS 109 HA LYS 109 -3.660 -8.132 -7.531 833 1HB LYS 109 HB2 LYS 109 -2.594 -6.384 -9.034 834 2HB LYS 109 HB1 LYS 109 -2.116 -6.284 -7.344 835 1HG LYS 109 HG2 LYS 109 -0.025 -7.413 -7.806 836 2HG LYS 109 HG1 LYS 109 -0.525 -7.758 -9.460 837 1HD LYS 109 HD2 LYS 109 -0.696 -5.267 -9.841 838 2HD LYS 109 HD1 LYS 109 0.045 -5.037 -8.258 839 1HE LYS 109 HE2 LYS 109 2.035 -5.168 -9.322 840 2HE LYS 109 HE1 LYS 109 1.710 -6.892 -9.491 841 1HZ LYS 109 HZ3 LYS 109 0.844 -4.816 -11.427 842 2HZ LYS 109 HZ2 LYS 109 2.218 -5.797 -11.615 843 3HZ LYS 109 HZ1 LYS 109 0.668 -6.493 -11.601 844 HA PRO 110 HA PRO 110 -4.722 -7.038 -9.347 845 1HB PRO 110 HB2 PRO 110 -6.841 -8.272 -10.822 846 2HB PRO 110 HB1 PRO 110 -5.881 -6.862 -11.294 847 1HG PRO 110 HG2 PRO 110 -5.813 -9.438 -12.501 848 2HG PRO 110 HG1 PRO 110 -4.715 -8.088 -12.824 849 1HD PRO 110 HD2 PRO 110 -4.222 -10.540 -11.273 850 2HD PRO 110 HD1 PRO 110 -3.053 -9.366 -11.915 851 H PHE 111 HN PHE 111 -6.001 -7.068 -7.496 852 HA PHE 111 HA PHE 111 -7.119 -9.702 -6.631 853 1HB PHE 111 HB2 PHE 111 -7.533 -8.380 -4.444 854 2HB PHE 111 HB1 PHE 111 -5.872 -8.807 -4.832 855 HD1 PHE 111 HD2 PHE 111 -8.386 -6.037 -5.251 856 HD2 PHE 111 HD1 PHE 111 -4.241 -7.128 -4.943 857 HE1 PHE 111 HE2 PHE 111 -7.738 -3.656 -5.341 858 HE2 PHE 111 HE1 PHE 111 -3.606 -4.737 -5.014 859 HZ PHE 111 HZ PHE 111 -5.355 -3.001 -5.210 860 H THR 112 HN THR 112 -9.263 -9.727 -5.781 861 HA THR 112 HA THR 112 -11.076 -7.841 -7.179 862 HB THR 112 HB THR 112 -12.160 -9.977 -5.407 863 HG1 THR 112 HG1 THR 112 -10.196 -10.565 -6.984 864 1HG2 THR 112 HG21 THR 112 -13.476 -8.422 -6.936 865 2HG2 THR 112 HG23 THR 112 -12.781 -9.314 -8.289 866 3HG2 THR 112 HG22 THR 112 -13.813 -10.142 -7.122 867 H ALA 113 HN ALA 113 -12.535 -6.508 -5.906 868 HA ALA 113 HA ALA 113 -11.483 -5.339 -3.604 869 1HB ALA 113 HB2 ALA 113 -13.621 -4.733 -5.051 870 2HB ALA 113 HB1 ALA 113 -14.466 -5.634 -3.792 871 3HB ALA 113 HB3 ALA 113 -13.513 -4.213 -3.368 872 H ALA 114 HN ALA 114 -13.180 -8.375 -3.860 873 HA ALA 114 HA ALA 114 -13.753 -8.558 -1.019 874 1HB ALA 114 HB2 ALA 114 -14.766 -9.919 -3.048 875 2HB ALA 114 HB1 ALA 114 -13.396 -10.988 -2.749 876 3HB ALA 114 HB3 ALA 114 -14.580 -10.695 -1.475 877 H THR 115 HN THR 115 -11.074 -9.445 -3.118 878 HA THR 115 HA THR 115 -9.668 -10.947 -1.075 879 HB THR 115 HB THR 115 -7.720 -10.043 -2.810 880 HG1 THR 115 HG1 THR 115 -9.599 -10.683 -4.635 881 1HG2 THR 115 HG22 THR 115 -9.595 -12.410 -3.061 882 2HG2 THR 115 HG21 THR 115 -8.073 -12.244 -3.938 883 3HG2 THR 115 HG23 THR 115 -8.068 -12.367 -2.179 884 H LEU 116 HN LEU 116 -8.896 -7.695 -2.547 885 HA LEU 116 HA LEU 116 -7.048 -7.008 -0.559 886 1HB LEU 116 HB2 LEU 116 -8.461 -5.607 -2.619 887 2HB LEU 116 HB1 LEU 116 -8.623 -4.664 -1.146 888 HG LEU 116 HG LEU 116 -6.089 -5.433 -2.613 889 1HD1 LEU 116 HD11 LEU 116 -7.506 -3.289 -2.988 890 2HD1 LEU 116 HD13 LEU 116 -6.864 -2.771 -1.437 891 3HD1 LEU 116 HD12 LEU 116 -5.768 -3.104 -2.775 892 1HD2 LEU 116 HD22 LEU 116 -6.453 -4.949 0.289 893 2HD2 LEU 116 HD21 LEU 116 -5.122 -5.740 -0.564 894 3HD2 LEU 116 HD23 LEU 116 -5.199 -3.981 -0.483 895 H GLU 117 HN GLU 117 -10.602 -6.803 -0.484 896 HA GLU 117 HA GLU 117 -10.780 -5.398 1.990 897 1HB GLU 117 HB2 GLU 117 -12.723 -5.558 0.550 898 2HB GLU 117 HB1 GLU 117 -12.707 -7.319 0.671 899 1HG GLU 117 HG2 GLU 117 -12.764 -5.975 3.283 900 2HG GLU 117 HG1 GLU 117 -14.176 -5.627 2.286 901 H GLU 118 HN GLU 118 -11.016 -8.882 1.284 902 HA GLU 118 HA GLU 118 -11.333 -9.869 3.872 903 1HB GLU 118 HB2 GLU 118 -11.231 -11.261 1.782 904 2HB GLU 118 HB1 GLU 118 -9.480 -11.057 1.782 905 1HG GLU 118 HG2 GLU 118 -10.008 -13.178 2.843 906 2HG GLU 118 HG1 GLU 118 -9.416 -12.068 4.077 907 H LYS 119 HN LYS 119 -8.264 -9.046 2.245 908 HA LYS 119 HA LYS 119 -6.562 -9.619 4.468 909 1HB LYS 119 HB2 LYS 119 -6.279 -7.651 2.177 910 2HB LYS 119 HB1 LYS 119 -4.991 -7.998 3.326 911 1HG LYS 119 HG2 LYS 119 -6.030 -10.492 2.379 912 2HG LYS 119 HG1 LYS 119 -5.697 -9.466 0.984 913 1HD LYS 119 HD2 LYS 119 -3.420 -9.045 1.821 914 2HD LYS 119 HD1 LYS 119 -3.747 -10.052 3.231 915 1HE LYS 119 HE2 LYS 119 -4.176 -11.192 0.489 916 2HE LYS 119 HE1 LYS 119 -2.538 -11.091 1.135 917 1HZ LYS 119 HZ1 LYS 119 -4.567 -12.150 2.926 918 2HZ LYS 119 HZ3 LYS 119 -4.160 -13.133 1.606 919 3HZ LYS 119 HZ2 LYS 119 -2.955 -12.637 2.697 920 H LEU 120 HN LEU 120 -8.258 -6.671 3.458 921 HA LEU 120 HA LEU 120 -7.202 -4.927 5.423 922 1HB LEU 120 HB2 LEU 120 -9.008 -4.666 3.376 923 2HB LEU 120 HB1 LEU 120 -10.061 -4.538 4.784 924 HG LEU 120 HG LEU 120 -8.242 -2.889 5.681 925 1HD1 LEU 120 HD12 LEU 120 -6.833 -3.585 3.542 926 2HD1 LEU 120 HD11 LEU 120 -7.801 -2.326 2.774 927 3HD1 LEU 120 HD13 LEU 120 -6.779 -1.932 4.155 928 1HD2 LEU 120 HD23 LEU 120 -10.426 -2.478 3.713 929 2HD2 LEU 120 HD22 LEU 120 -10.210 -1.781 5.319 930 3HD2 LEU 120 HD21 LEU 120 -9.323 -1.121 3.946 931 H ASN 121 HN ASN 121 -10.379 -6.604 5.548 932 HA ASN 121 HA ASN 121 -10.967 -5.956 8.223 933 1HB ASN 121 HB2 ASN 121 -11.879 -7.949 6.274 934 2HB ASN 121 HB1 ASN 121 -12.023 -8.496 7.945 935 1HD2 ASN 121 HD22 ASN 121 -14.027 -5.025 6.981 936 2HD2 ASN 121 HD21 ASN 121 -12.505 -5.316 6.288 937 H LYS 122 HN LYS 122 -8.852 -8.476 6.962 938 HA LYS 122 HA LYS 122 -8.551 -9.768 9.565 939 1HB LYS 122 HB2 LYS 122 -7.677 -10.246 6.831 940 2HB LYS 122 HB1 LYS 122 -6.359 -10.484 7.978 941 1HG LYS 122 HG2 LYS 122 -7.764 -12.001 9.308 942 2HG LYS 122 HG1 LYS 122 -9.112 -11.736 8.202 943 1HD LYS 122 HD2 LYS 122 -7.973 -13.836 7.643 944 2HD LYS 122 HD1 LYS 122 -7.755 -12.664 6.344 945 1HE LYS 122 HE2 LYS 122 -5.511 -12.344 6.820 946 2HE LYS 122 HE1 LYS 122 -5.703 -12.758 8.523 947 1HZ LYS 122 HZ1 LYS 122 -6.360 -14.931 6.783 948 2HZ LYS 122 HZ3 LYS 122 -4.762 -14.406 6.571 949 3HZ LYS 122 HZ2 LYS 122 -5.298 -14.888 8.108 950 H ILE 123 HN ILE 123 -7.052 -7.129 7.874 951 HA ILE 123 HA ILE 123 -4.683 -7.149 9.636 952 HB ILE 123 HB ILE 123 -5.581 -5.451 7.314 953 1HG1 ILE 123 HG12 ILE 123 -2.989 -6.943 7.791 954 2HG1 ILE 123 HG11 ILE 123 -4.400 -7.705 7.059 955 1HG2 ILE 123 HG23 ILE 123 -3.465 -4.892 9.385 956 2HG2 ILE 123 HG22 ILE 123 -3.260 -4.329 7.726 957 3HG2 ILE 123 HG21 ILE 123 -4.640 -3.783 8.678 958 1HD1 ILE 123 HD11 ILE 123 -3.569 -5.089 5.917 959 2HD1 ILE 123 HD13 ILE 123 -2.505 -6.459 5.600 960 3HD1 ILE 123 HD12 ILE 123 -4.196 -6.523 5.106 961 H PHE 124 HN PHE 124 -7.616 -5.202 9.121 962 HA PHE 124 HA PHE 124 -6.880 -3.232 11.105 963 1HB PHE 124 HB2 PHE 124 -9.356 -3.862 9.541 964 2HB PHE 124 HB1 PHE 124 -9.454 -2.761 10.916 965 HD1 PHE 124 HD1 PHE 124 -7.446 -3.417 7.831 966 HD2 PHE 124 HD2 PHE 124 -8.848 -0.504 10.653 967 HE1 PHE 124 HE1 PHE 124 -6.457 -1.612 6.457 968 HE2 PHE 124 HE2 PHE 124 -7.859 1.306 9.278 969 HZ PHE 124 HZ PHE 124 -6.673 0.748 7.174 970 H GLU 125 HN GLU 125 -8.907 -6.160 11.137 971 HA GLU 125 HA GLU 125 -10.047 -5.879 13.687 972 1HB GLU 125 HB2 GLU 125 -9.075 -8.260 12.115 973 2HB GLU 125 HB1 GLU 125 -9.676 -8.474 13.757 974 1HG GLU 125 HG2 GLU 125 -11.275 -6.915 11.739 975 2HG GLU 125 HG1 GLU 125 -11.370 -8.676 11.792 976 H LYS 126 HN LYS 126 -6.778 -6.224 12.736 977 HA LYS 126 HA LYS 126 -5.896 -6.927 15.482 978 1HB LYS 126 HB2 LYS 126 -4.341 -6.553 12.899 979 2HB LYS 126 HB1 LYS 126 -3.628 -7.017 14.445 980 1HG LYS 126 HG2 LYS 126 -5.942 -8.633 13.504 981 2HG LYS 126 HG1 LYS 126 -4.425 -8.836 12.627 982 1HD LYS 126 HD2 LYS 126 -3.271 -9.565 14.550 983 2HD LYS 126 HD1 LYS 126 -4.492 -8.909 15.641 984 1HE LYS 126 HE2 LYS 126 -5.998 -10.648 15.216 985 2HE LYS 126 HE1 LYS 126 -5.244 -11.054 13.674 986 1HZ LYS 126 HZ2 LYS 126 -4.008 -11.458 16.345 987 2HZ LYS 126 HZ1 LYS 126 -4.724 -12.676 15.402 988 3HZ LYS 126 HZ3 LYS 126 -3.325 -11.891 14.852 989 H LEU 127 HN LEU 127 -6.127 -4.286 13.209 990 HA LEU 127 HA LEU 127 -4.341 -2.512 14.672 991 1HB LEU 127 HB2 LEU 127 -5.022 -2.319 12.173 992 2HB LEU 127 HB1 LEU 127 -6.529 -1.627 12.771 993 HG LEU 127 HG LEU 127 -5.179 0.063 14.052 994 1HD1 LEU 127 HD13 LEU 127 -2.996 -1.590 12.995 995 2HD1 LEU 127 HD12 LEU 127 -2.780 0.125 12.659 996 3HD1 LEU 127 HD11 LEU 127 -2.986 -0.427 14.320 997 1HD2 LEU 127 HD22 LEU 127 -4.757 -0.041 11.050 998 2HD2 LEU 127 HD21 LEU 127 -6.167 0.620 11.877 999 3HD2 LEU 127 HD23 LEU 127 -4.597 1.404 12.047 1000 H GLY 128 HN GLY 128 -7.642 -3.520 14.944 1001 1HA GLY 128 HA2 GLY 128 -9.056 -3.107 16.808 1002 2HA GLY 128 HA1 GLY 128 -7.929 -1.868 17.358 1003 H MET 129 HN MET 129 -10.280 -2.495 14.741 1004 HA MET 129 HA MET 129 -11.130 0.359 14.960 1005 1HB MET 129 HB2 MET 129 -9.935 -0.992 12.661 1006 2HB MET 129 HB1 MET 129 -11.511 -0.297 12.286 1007 1HG MET 129 HG2 MET 129 -9.279 1.221 13.664 1008 2HG MET 129 HG1 MET 129 -9.602 1.301 11.933 1009 1HE MET 129 HE1 MET 129 -9.327 3.715 13.268 1010 2HE MET 129 HE3 MET 129 -10.737 4.627 13.821 1011 3HE MET 129 HE2 MET 129 -9.979 3.443 14.882 Start of MODEL 35 Raw file had 1011 H/Q atoms Start of MODEL 35 1 H ALA 2 HN ALA 2 -12.385 -1.342 6.955 2 HA ALA 2 HA ALA 2 -13.155 -0.483 9.565 3 1HB ALA 2 HB2 ALA 2 -10.808 -1.026 8.844 4 2HB ALA 2 HB1 ALA 2 -10.780 0.494 7.951 5 3HB ALA 2 HB3 ALA 2 -10.940 0.506 9.707 6 H ASP 3 HN ASP 3 -11.747 2.167 9.416 7 HA ASP 3 HA ASP 3 -13.923 3.910 9.335 8 1HB ASP 3 HB2 ASP 3 -11.276 4.241 9.810 9 2HB ASP 3 HB1 ASP 3 -11.392 4.995 8.219 10 H LYS 4 HN LYS 4 -15.250 4.542 7.689 11 HA LYS 4 HA LYS 4 -14.752 3.679 4.973 12 1HB LYS 4 HB2 LYS 4 -16.812 5.560 6.144 13 2HB LYS 4 HB1 LYS 4 -16.801 5.044 4.463 14 1HG LYS 4 HG2 LYS 4 -16.869 2.661 5.260 15 2HG LYS 4 HG1 LYS 4 -17.083 3.271 6.901 16 1HD LYS 4 HD2 LYS 4 -19.192 4.229 6.390 17 2HD LYS 4 HD1 LYS 4 -18.920 4.107 4.652 18 1HE LYS 4 HE2 LYS 4 -20.461 2.347 5.371 19 2HE LYS 4 HE1 LYS 4 -18.937 1.630 4.845 20 1HZ LYS 4 HZ1 LYS 4 -18.664 2.225 7.540 21 2HZ LYS 4 HZ3 LYS 4 -20.179 1.481 7.374 22 3HZ LYS 4 HZ2 LYS 4 -18.780 0.688 6.826 23 H GLU 5 HN GLU 5 -12.741 5.537 6.177 24 HA GLU 5 HA GLU 5 -12.540 7.321 3.872 25 1HB GLU 5 HB2 GLU 5 -14.048 8.493 5.585 26 2HB GLU 5 HB1 GLU 5 -12.612 8.613 6.602 27 1HG GLU 5 HG2 GLU 5 -12.201 10.538 5.476 28 2HG GLU 5 HG1 GLU 5 -11.670 9.486 4.163 29 H LEU 6 HN LEU 6 -10.926 5.156 5.112 30 HA LEU 6 HA LEU 6 -8.701 6.397 6.453 31 1HB LEU 6 HB2 LEU 6 -9.244 3.979 6.640 32 2HB LEU 6 HB1 LEU 6 -8.829 3.769 4.949 33 HG LEU 6 HG LEU 6 -6.509 4.510 5.425 34 1HD1 LEU 6 HD13 LEU 6 -7.736 5.040 8.079 35 2HD1 LEU 6 HD12 LEU 6 -6.118 4.344 8.086 36 3HD1 LEU 6 HD11 LEU 6 -6.415 5.873 7.260 37 1HD2 LEU 6 HD23 LEU 6 -7.804 2.174 6.731 38 2HD2 LEU 6 HD22 LEU 6 -6.520 2.219 5.527 39 3HD2 LEU 6 HD21 LEU 6 -6.151 2.538 7.223 40 H LYS 7 HN LYS 7 -6.902 7.381 5.496 41 HA LYS 7 HA LYS 7 -7.161 8.030 2.665 42 1HB LYS 7 HB2 LYS 7 -5.426 8.899 4.924 43 2HB LYS 7 HB1 LYS 7 -4.824 9.156 3.287 44 1HG LYS 7 HG2 LYS 7 -6.806 10.413 2.687 45 2HG LYS 7 HG1 LYS 7 -7.569 10.026 4.229 46 1HD LYS 7 HD2 LYS 7 -4.977 11.193 4.708 47 2HD LYS 7 HD1 LYS 7 -5.912 12.246 3.644 48 1HE LYS 7 HE2 LYS 7 -6.892 11.118 6.284 49 2HE LYS 7 HE1 LYS 7 -6.330 12.770 6.028 50 1HZ LYS 7 HZ1 LYS 7 -8.367 11.847 4.186 51 2HZ LYS 7 HZ3 LYS 7 -8.876 12.011 5.796 52 3HZ LYS 7 HZ2 LYS 7 -8.211 13.343 4.978 53 H PHE 8 HN PHE 8 -6.182 7.026 0.988 54 HA PHE 8 HA PHE 8 -3.998 5.102 1.578 55 1HB PHE 8 HB2 PHE 8 -5.959 5.191 -0.724 56 2HB PHE 8 HB1 PHE 8 -4.643 4.046 -0.577 57 HD1 PHE 8 HD2 PHE 8 -7.573 5.331 1.314 58 HD2 PHE 8 HD1 PHE 8 -5.033 1.989 0.473 59 HE1 PHE 8 HE2 PHE 8 -9.017 3.882 2.698 60 HE2 PHE 8 HE1 PHE 8 -6.491 0.527 1.871 61 HZ PHE 8 HZ PHE 8 -8.484 1.478 2.988 62 H LEU 9 HN LEU 9 -2.224 5.025 0.121 63 HA LEU 9 HA LEU 9 -1.987 7.379 -1.718 64 1HB LEU 9 HB2 LEU 9 -0.583 7.819 0.231 65 2HB LEU 9 HB1 LEU 9 0.143 6.221 0.106 66 HG LEU 9 HG LEU 9 1.139 6.799 -2.054 67 1HD1 LEU 9 HD12 LEU 9 -0.554 9.248 -1.691 68 2HD1 LEU 9 HD11 LEU 9 0.937 9.359 -2.623 69 3HD1 LEU 9 HD13 LEU 9 -0.340 8.252 -3.130 70 1HD2 LEU 9 HD22 LEU 9 1.547 8.814 0.159 71 2HD2 LEU 9 HD21 LEU 9 2.496 7.364 -0.175 72 3HD2 LEU 9 HD23 LEU 9 2.575 8.742 -1.273 73 H VAL 10 HN VAL 10 -2.155 6.394 -3.721 74 HA VAL 10 HA VAL 10 -0.907 3.734 -4.105 75 HB VAL 10 HB VAL 10 -1.916 4.211 -6.512 76 1HG1 VAL 10 HG13 VAL 10 -3.487 3.548 -4.011 77 2HG1 VAL 10 HG12 VAL 10 -4.124 3.337 -5.643 78 3HG1 VAL 10 HG11 VAL 10 -2.713 2.415 -5.120 79 1HG2 VAL 10 HG23 VAL 10 -2.454 6.586 -5.926 80 2HG2 VAL 10 HG22 VAL 10 -3.864 5.661 -6.438 81 3HG2 VAL 10 HG21 VAL 10 -3.596 5.985 -4.727 82 H VAL 11 HN VAL 11 1.213 3.746 -4.639 83 HA VAL 11 HA VAL 11 2.241 5.912 -6.373 84 HB VAL 11 HB VAL 11 3.741 4.166 -4.412 85 1HG1 VAL 11 HG11 VAL 11 4.562 6.084 -6.516 86 2HG1 VAL 11 HG13 VAL 11 5.341 6.302 -4.949 87 3HG1 VAL 11 HG12 VAL 11 5.465 4.757 -5.788 88 1HG2 VAL 11 HG23 VAL 11 2.223 6.619 -4.118 89 2HG2 VAL 11 HG22 VAL 11 3.004 5.641 -2.874 90 3HG2 VAL 11 HG21 VAL 11 3.920 6.886 -3.722 91 H ASP 12 HN ASP 12 1.555 4.712 -8.279 92 HA ASP 12 HA ASP 12 3.250 2.302 -8.841 93 1HB ASP 12 HB2 ASP 12 0.756 2.907 -10.389 94 2HB ASP 12 HB1 ASP 12 1.505 1.349 -10.044 95 H ASP 13 HN ASP 13 2.531 2.367 -11.658 96 HA ASP 13 HA ASP 13 3.600 4.962 -12.611 97 1HB ASP 13 HB2 ASP 13 5.539 3.379 -12.150 98 2HB ASP 13 HB1 ASP 13 4.888 2.341 -13.420 99 H PHE 14 HN PHE 14 1.331 2.643 -12.841 100 HA PHE 14 HA PHE 14 1.166 2.608 -15.803 101 1HB PHE 14 HB2 PHE 14 -0.057 1.042 -13.576 102 2HB PHE 14 HB1 PHE 14 -1.009 1.224 -15.050 103 HD1 PHE 14 HD2 PHE 14 2.525 0.480 -14.015 104 HD2 PHE 14 HD1 PHE 14 -0.681 -0.341 -16.757 105 HE1 PHE 14 HE2 PHE 14 3.912 -1.254 -15.119 106 HE2 PHE 14 HE1 PHE 14 0.707 -2.074 -17.859 107 HZ PHE 14 HZ PHE 14 3.003 -2.531 -17.041 108 H SER 15 HN SER 15 -0.034 4.132 -16.823 109 HA SER 15 HA SER 15 -1.655 6.017 -15.325 110 1HB SER 15 HB2 SER 15 -0.404 6.589 -17.427 111 2HB SER 15 HB1 SER 15 -1.544 5.593 -18.327 112 HG SER 15 HG SER 15 -2.034 7.908 -18.173 113 H THR 16 HN THR 16 -2.504 3.221 -15.110 114 HA THR 16 HA THR 16 -5.334 3.633 -15.828 115 HB THR 16 HB THR 16 -4.711 2.509 -17.819 116 HG1 THR 16 HG1 THR 16 -5.412 0.233 -17.275 117 1HG2 THR 16 HG22 THR 16 -3.059 0.655 -16.078 118 2HG2 THR 16 HG21 THR 16 -3.261 0.499 -17.822 119 3HG2 THR 16 HG23 THR 16 -2.427 1.902 -17.153 120 H MET 17 HN MET 17 -2.882 1.504 -14.379 121 HA MET 17 HA MET 17 -4.572 -0.149 -12.845 122 1HB MET 17 HB2 MET 17 -2.121 -0.462 -13.032 123 2HB MET 17 HB1 MET 17 -1.871 0.977 -12.044 124 1HG MET 17 HG2 MET 17 -2.968 -0.053 -10.150 125 2HG MET 17 HG1 MET 17 -3.449 -1.438 -11.128 126 1HE MET 17 HE3 MET 17 -1.133 -0.072 -8.678 127 2HE MET 17 HE2 MET 17 -1.941 -1.602 -8.350 128 3HE MET 17 HE1 MET 17 -0.181 -1.535 -8.390 129 NH1 ARG 18 NH1 ARG 18 -3.955 8.610 -11.530 130 NH2 ARG 18 NH2 ARG 18 -4.934 7.891 -13.436 131 H ARG 18 HN ARG 18 -3.271 3.071 -12.060 132 HA ARG 18 HA ARG 18 -4.214 3.301 -9.418 133 1HB ARG 18 HB2 ARG 18 -4.636 5.785 -10.822 134 2HB ARG 18 HB1 ARG 18 -3.408 5.381 -9.632 135 1HG ARG 18 HG2 ARG 18 -2.044 4.321 -11.418 136 2HG ARG 18 HG1 ARG 18 -3.272 4.771 -12.601 137 1HD ARG 18 HD2 ARG 18 -2.252 6.969 -10.886 138 2HD ARG 18 HD1 ARG 18 -1.119 6.316 -12.068 139 HE ARG 18 HE ARG 18 -2.516 7.148 -13.814 140 1HH1 ARG 18 HH11 ARG 18 -3.175 8.614 -10.906 141 2HH1 ARG 18 HH12 ARG 18 -4.767 9.154 -11.319 142 1HH2 ARG 18 HH21 ARG 18 -4.904 7.342 -14.272 143 2HH2 ARG 18 HH22 ARG 18 -5.746 8.435 -13.224 144 NH1 ARG 19 NH1 ARG 19 -11.063 6.540 -15.309 145 NH2 ARG 19 NH2 ARG 19 -10.663 8.550 -16.260 146 H ARG 19 HN ARG 19 -5.950 3.895 -12.463 147 HA ARG 19 HA ARG 19 -8.298 4.918 -11.183 148 1HB ARG 19 HB2 ARG 19 -7.744 3.766 -13.913 149 2HB ARG 19 HB1 ARG 19 -9.384 4.205 -13.434 150 1HG ARG 19 HG2 ARG 19 -8.656 6.496 -12.946 151 2HG ARG 19 HG1 ARG 19 -6.993 6.071 -13.353 152 1HD ARG 19 HD2 ARG 19 -7.385 6.188 -15.585 153 2HD ARG 19 HD1 ARG 19 -8.946 5.378 -15.445 154 HE ARG 19 HE ARG 19 -8.535 8.297 -14.933 155 1HH1 ARG 19 HH11 ARG 19 -10.744 5.750 -14.786 156 2HH1 ARG 19 HH12 ARG 19 -12.010 6.579 -15.626 157 1HH2 ARG 19 HH21 ARG 19 -10.035 9.302 -16.466 158 2HH2 ARG 19 HH22 ARG 19 -11.610 8.588 -16.578 159 H ILE 20 HN ILE 20 -7.157 1.673 -11.809 160 HA ILE 20 HA ILE 20 -9.714 0.361 -11.502 161 HB ILE 20 HB ILE 20 -6.856 -0.460 -11.600 162 1HG1 ILE 20 HG12 ILE 20 -7.733 -2.027 -13.245 163 2HG1 ILE 20 HG11 ILE 20 -9.387 -1.667 -12.755 164 1HG2 ILE 20 HG23 ILE 20 -9.006 -2.076 -10.206 165 2HG2 ILE 20 HG22 ILE 20 -7.594 -2.826 -10.945 166 3HG2 ILE 20 HG21 ILE 20 -7.385 -1.686 -9.619 167 1HD1 ILE 20 HD12 ILE 20 -7.683 0.634 -13.585 168 2HD1 ILE 20 HD11 ILE 20 -8.241 -0.455 -14.852 169 3HD1 ILE 20 HD13 ILE 20 -9.409 0.374 -13.824 170 H VAL 21 HN VAL 21 -6.981 0.869 -9.245 171 HA VAL 21 HA VAL 21 -8.333 -0.292 -6.998 172 HB VAL 21 HB VAL 21 -6.547 1.641 -5.996 173 1HG1 VAL 21 HG12 VAL 21 -6.240 -1.294 -6.685 174 2HG1 VAL 21 HG11 VAL 21 -5.088 -0.394 -5.699 175 3HG1 VAL 21 HG13 VAL 21 -6.745 -0.613 -5.138 176 1HG2 VAL 21 HG21 VAL 21 -5.860 1.993 -8.383 177 2HG2 VAL 21 HG23 VAL 21 -4.560 1.358 -7.377 178 3HG2 VAL 21 HG22 VAL 21 -5.432 0.286 -8.472 179 NH1 ARG 22 NH2 ARG 22 -7.261 10.175 -8.768 180 NH2 ARG 22 NH1 ARG 22 -9.161 10.258 -9.991 181 H ARG 22 HN ARG 22 -8.136 3.046 -8.202 182 HA ARG 22 HA ARG 22 -9.279 4.476 -6.103 183 1HB ARG 22 HB2 ARG 22 -9.173 4.738 -9.018 184 2HB ARG 22 HB1 ARG 22 -10.612 5.481 -8.321 185 1HG ARG 22 HG2 ARG 22 -9.290 6.849 -6.846 186 2HG ARG 22 HG1 ARG 22 -7.816 5.978 -7.270 187 1HD ARG 22 HD2 ARG 22 -7.485 7.278 -9.080 188 2HD ARG 22 HD1 ARG 22 -9.129 6.992 -9.650 189 HE ARG 22 HE ARG 22 -9.514 8.812 -7.636 190 1HH1 ARG 22 HH21 ARG 22 -6.713 9.750 -8.048 191 2HH1 ARG 22 HH22 ARG 22 -6.903 10.963 -9.270 192 1HH2 ARG 22 HH11 ARG 22 -10.067 9.897 -10.208 193 2HH2 ARG 22 HH12 ARG 22 -8.803 11.046 -10.493 194 H ASN 23 HN ASN 23 -11.095 2.827 -8.704 195 HA ASN 23 HA ASN 23 -13.687 3.242 -7.603 196 1HB ASN 23 HB2 ASN 23 -12.550 2.133 -9.867 197 2HB ASN 23 HB1 ASN 23 -13.257 0.758 -9.065 198 1HD2 ASN 23 HD22 ASN 23 -15.676 3.356 -10.958 199 2HD2 ASN 23 HD21 ASN 23 -13.984 3.414 -11.085 200 H LEU 24 HN LEU 24 -11.648 0.364 -7.684 201 HA LEU 24 HA LEU 24 -13.027 -1.455 -6.184 202 1HB LEU 24 HB2 LEU 24 -10.644 -1.550 -7.165 203 2HB LEU 24 HB1 LEU 24 -10.125 -0.874 -5.633 204 HG LEU 24 HG LEU 24 -11.861 -3.069 -5.040 205 1HD1 LEU 24 HD11 LEU 24 -9.752 -3.700 -7.125 206 2HD1 LEU 24 HD13 LEU 24 -10.579 -4.913 -6.149 207 3HD1 LEU 24 HD12 LEU 24 -11.493 -3.922 -7.286 208 1HD2 LEU 24 HD22 LEU 24 -8.943 -2.448 -4.676 209 2HD2 LEU 24 HD21 LEU 24 -10.182 -2.775 -3.467 210 3HD2 LEU 24 HD23 LEU 24 -9.493 -4.095 -4.404 211 H LEU 25 HN LEU 25 -10.864 1.000 -4.688 212 HA LEU 25 HA LEU 25 -11.661 0.359 -2.000 213 1HB LEU 25 HB2 LEU 25 -10.312 2.724 -3.288 214 2HB LEU 25 HB1 LEU 25 -10.795 2.802 -1.603 215 HG LEU 25 HG LEU 25 -9.097 0.572 -2.755 216 1HD1 LEU 25 HD12 LEU 25 -8.408 3.300 -1.970 217 2HD1 LEU 25 HD11 LEU 25 -7.515 2.091 -1.050 218 3HD1 LEU 25 HD13 LEU 25 -7.432 2.096 -2.810 219 1HD2 LEU 25 HD23 LEU 25 -10.374 1.058 -0.177 220 2HD2 LEU 25 HD22 LEU 25 -9.549 -0.387 -0.758 221 3HD2 LEU 25 HD21 LEU 25 -8.625 0.913 -0.009 222 H LYS 26 HN LYS 26 -12.715 2.938 -4.236 223 HA LYS 26 HA LYS 26 -14.593 4.116 -2.491 224 1HB LYS 26 HB2 LYS 26 -14.384 3.967 -5.491 225 2HB LYS 26 HB1 LYS 26 -15.742 4.783 -4.716 226 1HG LYS 26 HG2 LYS 26 -14.264 6.305 -3.564 227 2HG LYS 26 HG1 LYS 26 -12.844 5.402 -4.095 228 1HD LYS 26 HD2 LYS 26 -13.390 5.948 -6.449 229 2HD LYS 26 HD1 LYS 26 -14.779 6.886 -5.898 230 1HE LYS 26 HE2 LYS 26 -12.368 7.663 -4.476 231 2HE LYS 26 HE1 LYS 26 -12.158 7.824 -6.220 232 1HZ LYS 26 HZ3 LYS 26 -14.470 8.901 -4.705 233 2HZ LYS 26 HZ2 LYS 26 -13.110 9.815 -5.154 234 3HZ LYS 26 HZ1 LYS 26 -14.124 9.154 -6.346 235 H GLU 27 HN GLU 27 -14.723 1.135 -4.299 236 HA GLU 27 HA GLU 27 -17.589 0.882 -4.254 237 1HB GLU 27 HB2 GLU 27 -16.261 -0.378 -5.874 238 2HB GLU 27 HB1 GLU 27 -15.422 -1.210 -4.564 239 1HG GLU 27 HG2 GLU 27 -18.374 -1.354 -4.447 240 2HG GLU 27 HG1 GLU 27 -17.637 -2.197 -5.809 241 H LEU 28 HN LEU 28 -15.173 0.599 -1.879 242 HA LEU 28 HA LEU 28 -16.761 -1.278 -0.222 243 1HB LEU 28 HB2 LEU 28 -13.965 -0.330 -0.275 244 2HB LEU 28 HB1 LEU 28 -14.644 -0.527 1.341 245 HG LEU 28 HG LEU 28 -14.920 -2.665 -0.777 246 1HD1 LEU 28 HD12 LEU 28 -12.574 -1.913 0.866 247 2HD1 LEU 28 HD11 LEU 28 -12.996 -3.624 0.891 248 3HD1 LEU 28 HD13 LEU 28 -12.648 -2.825 -0.642 249 1HD2 LEU 28 HD22 LEU 28 -16.054 -2.333 1.745 250 2HD2 LEU 28 HD21 LEU 28 -15.931 -3.854 0.864 251 3HD2 LEU 28 HD23 LEU 28 -14.697 -3.417 2.045 252 H GLY 29 HN GLY 29 -15.660 2.085 -0.238 253 1HA GLY 29 HA2 GLY 29 -17.660 3.485 0.769 254 2HA GLY 29 HA1 GLY 29 -17.186 2.613 2.215 255 H PHE 30 HN PHE 30 -14.425 3.110 0.400 256 HA PHE 30 HA PHE 30 -13.584 5.265 2.234 257 1HB PHE 30 HB2 PHE 30 -12.072 3.658 0.149 258 2HB PHE 30 HB1 PHE 30 -11.330 4.843 1.216 259 HD1 PHE 30 HD1 PHE 30 -12.938 1.544 1.010 260 HD2 PHE 30 HD2 PHE 30 -11.071 4.396 3.602 261 HE1 PHE 30 HE1 PHE 30 -12.724 -0.200 2.760 262 HE2 PHE 30 HE2 PHE 30 -10.839 2.652 5.355 263 HZ PHE 30 HZ PHE 30 -11.674 0.357 4.935 264 H ASN 31 HN ASN 31 -12.815 7.319 1.475 265 HA ASN 31 HA ASN 31 -13.072 7.918 -1.409 266 1HB ASN 31 HB2 ASN 31 -15.329 8.250 -0.148 267 2HB ASN 31 HB1 ASN 31 -14.552 9.677 0.535 268 1HD2 ASN 31 HD22 ASN 31 -16.193 10.111 -3.006 269 2HD2 ASN 31 HD21 ASN 31 -16.675 9.020 -1.798 270 H ASN 32 HN ASN 32 -10.656 7.995 -0.512 271 HA ASN 32 HA ASN 32 -9.844 10.745 -0.570 272 1HB ASN 32 HB2 ASN 32 -10.685 10.025 1.953 273 2HB ASN 32 HB1 ASN 32 -8.956 9.706 2.044 274 1HD2 ASN 32 HD22 ASN 32 -10.104 13.567 1.171 275 2HD2 ASN 32 HD21 ASN 32 -11.052 12.281 0.598 276 H VAL 33 HN VAL 33 -8.360 10.015 -2.129 277 HA VAL 33 HA VAL 33 -6.066 8.420 -1.071 278 HB VAL 33 HB VAL 33 -7.458 7.959 -3.729 279 1HG1 VAL 33 HG12 VAL 33 -5.098 6.569 -2.431 280 2HG1 VAL 33 HG11 VAL 33 -5.903 6.029 -3.900 281 3HG1 VAL 33 HG13 VAL 33 -5.052 7.571 -3.880 282 1HG2 VAL 33 HG22 VAL 33 -7.701 6.699 -1.057 283 2HG2 VAL 33 HG21 VAL 33 -8.866 6.775 -2.376 284 3HG2 VAL 33 HG23 VAL 33 -7.565 5.586 -2.414 285 H GLU 34 HN GLU 34 -4.044 8.831 -2.222 286 HA GLU 34 HA GLU 34 -4.130 11.183 -4.081 287 1HB GLU 34 HB2 GLU 34 -2.378 10.663 -1.708 288 2HB GLU 34 HB1 GLU 34 -1.710 11.535 -3.081 289 1HG GLU 34 HG2 GLU 34 -4.393 12.405 -2.123 290 2HG GLU 34 HG1 GLU 34 -3.022 12.782 -1.084 291 H GLU 35 HN GLU 35 -1.560 11.141 -5.012 292 HA GLU 35 HA GLU 35 -0.922 8.343 -5.714 293 1HB GLU 35 HB2 GLU 35 -2.680 9.174 -7.329 294 2HB GLU 35 HB1 GLU 35 -1.518 10.384 -7.869 295 1HG GLU 35 HG2 GLU 35 -0.217 7.827 -7.857 296 2HG GLU 35 HG1 GLU 35 -1.743 7.678 -8.721 297 H ALA 36 HN ALA 36 1.136 8.091 -6.701 298 HA ALA 36 HA ALA 36 2.862 10.499 -6.887 299 1HB ALA 36 HB3 ALA 36 2.929 8.775 -4.679 300 2HB ALA 36 HB2 ALA 36 4.280 8.255 -5.685 301 3HB ALA 36 HB1 ALA 36 4.179 9.928 -5.138 302 H GLU 37 HN GLU 37 5.220 9.351 -7.642 303 HA GLU 37 HA GLU 37 4.442 7.546 -9.912 304 1HB GLU 37 HB2 GLU 37 6.862 8.944 -10.504 305 2HB GLU 37 HB1 GLU 37 5.313 9.031 -11.342 306 1HG GLU 37 HG2 GLU 37 4.535 10.707 -9.676 307 2HG GLU 37 HG1 GLU 37 6.127 10.658 -8.917 308 H ASP 38 HN ASP 38 6.180 7.637 -7.065 309 HA ASP 38 HA ASP 38 7.353 5.113 -7.388 310 1HB ASP 38 HB2 ASP 38 9.843 6.067 -7.527 311 2HB ASP 38 HB1 ASP 38 8.934 5.658 -8.980 312 H GLY 39 HN GLY 39 9.394 4.922 -5.806 313 1HA GLY 39 HA2 GLY 39 8.466 5.594 -3.219 314 2HA GLY 39 HA1 GLY 39 10.113 5.084 -3.583 315 H VAL 40 HN VAL 40 10.889 7.240 -5.262 316 HA VAL 40 HA VAL 40 11.700 9.156 -3.325 317 HB VAL 40 HB VAL 40 13.025 9.085 -5.272 318 1HG1 VAL 40 HG11 VAL 40 10.403 8.836 -6.598 319 2HG1 VAL 40 HG13 VAL 40 11.572 9.816 -7.481 320 3HG1 VAL 40 HG12 VAL 40 11.963 8.150 -7.049 321 1HG2 VAL 40 HG23 VAL 40 12.223 11.431 -4.424 322 2HG2 VAL 40 HG22 VAL 40 13.093 11.327 -5.954 323 3HG2 VAL 40 HG21 VAL 40 11.336 11.483 -5.946 324 H ASP 41 HN ASP 41 8.971 9.137 -5.581 325 HA ASP 41 HA ASP 41 8.090 11.814 -4.916 326 1HB ASP 41 HB2 ASP 41 7.450 10.459 -6.985 327 2HB ASP 41 HB1 ASP 41 6.342 9.573 -5.946 328 H ALA 42 HN ALA 42 6.932 8.559 -3.974 329 HA ALA 42 HA ALA 42 4.937 9.349 -2.166 330 1HB ALA 42 HB2 ALA 42 6.176 6.942 -2.802 331 2HB ALA 42 HB1 ALA 42 6.575 7.169 -1.099 332 3HB ALA 42 HB3 ALA 42 4.890 7.153 -1.613 333 H LEU 43 HN LEU 43 8.337 8.597 -1.290 334 HA LEU 43 HA LEU 43 8.353 9.473 1.344 335 1HB LEU 43 HB2 LEU 43 10.333 8.516 0.206 336 2HB LEU 43 HB1 LEU 43 10.508 9.999 -0.729 337 HG LEU 43 HG LEU 43 10.851 11.280 1.362 338 1HD1 LEU 43 HD11 LEU 43 10.234 8.603 2.552 339 2HD1 LEU 43 HD13 LEU 43 11.386 9.646 3.387 340 3HD1 LEU 43 HD12 LEU 43 9.740 10.207 3.091 341 1HD2 LEU 43 HD22 LEU 43 12.621 8.838 1.044 342 2HD2 LEU 43 HD21 LEU 43 12.821 10.389 0.230 343 3HD2 LEU 43 HD23 LEU 43 13.053 10.273 1.975 344 H ASN 44 HN ASN 44 8.469 11.457 -1.591 345 HA ASN 44 HA ASN 44 8.882 13.954 -0.208 346 1HB ASN 44 HB2 ASN 44 8.446 13.054 -2.940 347 2HB ASN 44 HB1 ASN 44 7.563 14.542 -2.599 348 1HD2 ASN 44 HD22 ASN 44 11.356 14.982 -3.439 349 2HD2 ASN 44 HD21 ASN 44 10.304 13.791 -4.038 350 H LYS 45 HN LYS 45 5.964 12.321 -1.441 351 HA LYS 45 HA LYS 45 4.275 14.458 -0.310 352 1HB LYS 45 HB2 LYS 45 3.945 13.019 -2.545 353 2HB LYS 45 HB1 LYS 45 3.102 11.950 -1.428 354 1HG LYS 45 HG2 LYS 45 1.477 13.491 -2.348 355 2HG LYS 45 HG1 LYS 45 1.738 13.913 -0.658 356 1HD LYS 45 HD2 LYS 45 2.672 15.928 -1.174 357 2HD LYS 45 HD1 LYS 45 3.533 15.287 -2.573 358 1HE LYS 45 HE2 LYS 45 1.771 16.906 -3.233 359 2HE LYS 45 HE1 LYS 45 1.458 15.295 -3.881 360 1HZ LYS 45 HZ2 LYS 45 0.071 14.953 -1.804 361 2HZ LYS 45 HZ1 LYS 45 0.154 16.636 -1.591 362 3HZ LYS 45 HZ3 LYS 45 -0.565 15.994 -2.986 363 H LEU 46 HN LEU 46 5.712 11.711 0.930 364 HA LEU 46 HA LEU 46 3.495 10.703 2.521 365 1HB LEU 46 HB2 LEU 46 6.192 9.948 2.018 366 2HB LEU 46 HB1 LEU 46 6.054 10.190 3.752 367 HG LEU 46 HG LEU 46 5.537 7.860 3.137 368 1HD1 LEU 46 HD13 LEU 46 3.880 9.621 4.646 369 2HD1 LEU 46 HD12 LEU 46 2.832 8.466 3.821 370 3HD1 LEU 46 HD11 LEU 46 4.125 7.890 4.872 371 1HD2 LEU 46 HD21 LEU 46 4.179 9.091 0.970 372 2HD2 LEU 46 HD23 LEU 46 4.330 7.365 1.303 373 3HD2 LEU 46 HD22 LEU 46 2.955 8.268 1.937 374 H GLN 47 HN GLN 47 5.990 13.154 2.913 375 HA GLN 47 HA GLN 47 5.872 13.577 5.696 376 1HB GLN 47 HB2 GLN 47 6.107 16.129 4.780 377 2HB GLN 47 HB1 GLN 47 7.451 14.987 4.836 378 1HG GLN 47 HG2 GLN 47 7.231 14.442 2.541 379 2HG GLN 47 HG1 GLN 47 5.620 15.155 2.442 380 1HE2 GLN 47 HE22 GLN 47 6.971 18.560 2.510 381 2HE2 GLN 47 HE21 GLN 47 5.724 17.662 3.232 382 H ALA 48 HN ALA 48 3.471 14.126 3.276 383 HA ALA 48 HA ALA 48 1.906 16.187 4.265 384 1HB ALA 48 HB1 ALA 48 1.365 14.775 2.260 385 2HB ALA 48 HB3 ALA 48 0.822 13.504 3.357 386 3HB ALA 48 HB2 ALA 48 -0.024 15.051 3.312 387 H GLY 49 HN GLY 49 1.405 12.759 5.179 388 1HA GLY 49 HA2 GLY 49 1.243 11.987 7.465 389 2HA GLY 49 HA1 GLY 49 0.928 13.644 7.978 390 H GLY 50 HN GLY 50 -0.506 10.677 7.263 391 1HA GLY 50 HA2 GLY 50 -3.003 11.000 8.158 392 2HA GLY 50 HA1 GLY 50 -3.143 11.855 6.622 393 OH TYR 51 OH TYR 51 -1.096 12.182 0.091 394 H TYR 51 HN TYR 51 -1.116 9.921 5.421 395 HA TYR 51 HA TYR 51 -3.013 8.091 4.325 396 1HB TYR 51 HB2 TYR 51 0.013 7.928 4.357 397 2HB TYR 51 HB1 TYR 51 -1.049 6.977 3.328 398 HD1 TYR 51 HD2 TYR 51 -2.925 8.508 2.074 399 HD2 TYR 51 HD1 TYR 51 0.963 9.793 3.368 400 HE1 TYR 51 HE2 TYR 51 -3.003 10.381 0.467 401 HE2 TYR 51 HE1 TYR 51 0.893 11.658 1.746 402 HH TYR 51 HH TYR 51 -1.339 12.981 0.565 403 H GLY 52 HN GLY 52 -3.919 7.237 6.379 404 1HA GLY 52 HA2 GLY 52 -2.350 5.644 8.150 405 2HA GLY 52 HA1 GLY 52 -4.087 5.474 7.932 406 H PHE 53 HN PHE 53 -2.905 5.310 4.925 407 HA PHE 53 HA PHE 53 -2.104 2.456 4.982 408 1HB PHE 53 HB2 PHE 53 -4.736 3.329 4.511 409 2HB PHE 53 HB1 PHE 53 -4.082 2.958 2.927 410 HD1 PHE 53 HD1 PHE 53 -4.253 1.483 6.405 411 HD2 PHE 53 HD2 PHE 53 -4.148 0.762 2.180 412 HE1 PHE 53 HE1 PHE 53 -4.706 -0.904 6.781 413 HE2 PHE 53 HE2 PHE 53 -4.615 -1.606 2.556 414 HZ PHE 53 HZ PHE 53 -4.882 -2.469 4.869 415 H VAL 54 HN VAL 54 -0.492 2.180 3.436 416 HA VAL 54 HA VAL 54 -0.420 4.157 1.172 417 HB VAL 54 HB VAL 54 1.914 3.131 2.805 418 1HG1 VAL 54 HG13 VAL 54 1.719 4.296 0.066 419 2HG1 VAL 54 HG12 VAL 54 3.016 4.897 1.097 420 3HG1 VAL 54 HG11 VAL 54 2.911 3.176 0.726 421 1HG2 VAL 54 HG21 VAL 54 0.441 5.152 3.536 422 2HG2 VAL 54 HG23 VAL 54 2.190 5.373 3.492 423 3HG2 VAL 54 HG22 VAL 54 1.190 5.992 2.179 424 H ILE 55 HN ILE 55 -0.442 3.205 -0.765 425 HA ILE 55 HA ILE 55 0.097 0.267 -0.907 426 HB ILE 55 HB ILE 55 -1.614 2.176 -2.484 427 1HG1 ILE 55 HG12 ILE 55 -2.153 -0.666 -1.600 428 2HG1 ILE 55 HG11 ILE 55 -2.397 0.709 -0.522 429 1HG2 ILE 55 HG21 ILE 55 -0.317 -0.365 -3.453 430 2HG2 ILE 55 HG23 ILE 55 -1.897 0.122 -4.066 431 3HG2 ILE 55 HG22 ILE 55 -0.499 1.173 -4.297 432 1HD1 ILE 55 HD11 ILE 55 -3.578 0.914 -3.247 433 2HD1 ILE 55 HD13 ILE 55 -4.346 -0.212 -2.128 434 3HD1 ILE 55 HD12 ILE 55 -4.203 1.494 -1.703 435 H SER 56 HN SER 56 1.977 -0.337 -1.899 436 HA SER 56 HA SER 56 3.094 1.388 -4.047 437 1HB SER 56 HB2 SER 56 5.284 1.452 -3.070 438 2HB SER 56 HB1 SER 56 4.165 1.966 -1.811 439 HG SER 56 HG SER 56 5.736 0.348 -1.165 440 H ASP 57 HN ASP 57 4.174 0.195 -5.631 441 HA ASP 57 HA ASP 57 3.549 -2.576 -5.863 442 1HB ASP 57 HB2 ASP 57 5.882 -1.287 -7.276 443 2HB ASP 57 HB1 ASP 57 4.786 -2.533 -7.873 444 CH2 TRP 58 CH2 TRP 58 10.212 -6.597 -0.245 445 H TRP 58 HN TRP 58 6.429 -3.177 -6.793 446 HA TRP 58 HA TRP 58 8.051 -3.257 -4.400 447 1HB TRP 58 HB2 TRP 58 6.451 -4.930 -3.670 448 2HB TRP 58 HB1 TRP 58 6.556 -5.767 -5.218 449 HD1 TRP 58 HD1 TRP 58 8.882 -7.024 -5.777 450 HE1 TRP 58 HE1 TRP 58 10.636 -8.066 -4.200 451 HE3 TRP 58 HE3 TRP 58 7.615 -4.718 -1.402 452 HZ2 TRP 58 HZ2 TRP 58 11.399 -7.937 -1.440 453 HZ3 TRP 58 HZ3 TRP 58 8.870 -5.192 0.676 454 HH2 TRP 58 HH2 TRP 58 10.750 -6.805 0.668 455 H ASN 59 HN ASN 59 10.140 -3.593 -5.051 456 HA ASN 59 HA ASN 59 11.922 -3.900 -6.553 457 1HB ASN 59 HB2 ASN 59 11.146 -6.290 -6.136 458 2HB ASN 59 HB1 ASN 59 10.232 -6.166 -7.640 459 1HD2 ASN 59 HD22 ASN 59 13.102 -7.169 -9.415 460 2HD2 ASN 59 HD21 ASN 59 11.442 -7.384 -9.127 461 H MET 60 HN MET 60 11.625 -1.985 -7.784 462 HA MET 60 HA MET 60 11.285 -2.229 -10.530 463 1HB MET 60 HB2 MET 60 9.079 -2.635 -10.748 464 2HB MET 60 HB1 MET 60 8.707 -2.105 -9.119 465 1HG MET 60 HG2 MET 60 7.617 -0.689 -10.837 466 2HG MET 60 HG1 MET 60 8.737 0.252 -9.862 467 1HE MET 60 HE3 MET 60 7.894 1.629 -11.808 468 2HE MET 60 HE2 MET 60 8.946 1.977 -13.178 469 3HE MET 60 HE1 MET 60 7.681 0.761 -13.334 470 HA PRO 61 HA PRO 61 10.945 2.437 -9.350 471 1HB PRO 61 HB2 PRO 61 11.568 2.718 -6.555 472 2HB PRO 61 HB1 PRO 61 10.087 3.199 -7.394 473 1HG PRO 61 HG2 PRO 61 10.398 1.032 -5.552 474 2HG PRO 61 HG1 PRO 61 8.952 1.448 -6.483 475 1HD PRO 61 HD2 PRO 61 10.790 -0.758 -6.880 476 2HD PRO 61 HD1 PRO 61 9.253 -0.443 -7.701 477 H ASN 62 HN ASN 62 12.995 1.005 -6.784 478 HA ASN 62 HA ASN 62 15.409 1.895 -8.322 479 1HB ASN 62 HB2 ASN 62 16.461 2.617 -6.314 480 2HB ASN 62 HB1 ASN 62 14.824 3.269 -6.224 481 1HD2 ASN 62 HD22 ASN 62 14.101 1.540 -3.252 482 2HD2 ASN 62 HD21 ASN 62 13.722 2.811 -4.312 483 H MET 63 HN MET 63 14.042 -0.368 -5.972 484 HA MET 63 HA MET 63 15.441 -2.618 -7.093 485 1HB MET 63 HB2 MET 63 17.295 -1.388 -5.814 486 2HB MET 63 HB1 MET 63 16.415 -1.806 -4.343 487 1HG MET 63 HG2 MET 63 16.589 -4.178 -4.856 488 2HG MET 63 HG1 MET 63 17.340 -3.820 -6.411 489 1HE MET 63 HE1 MET 63 18.888 -5.616 -5.598 490 2HE MET 63 HE3 MET 63 20.235 -5.395 -4.472 491 3HE MET 63 HE2 MET 63 18.613 -5.709 -3.860 492 H ASP 64 HN ASP 64 13.679 -1.119 -4.470 493 HA ASP 64 HA ASP 64 11.626 -3.016 -4.333 494 1HB ASP 64 HB2 ASP 64 12.440 -4.018 -2.006 495 2HB ASP 64 HB1 ASP 64 12.890 -4.786 -3.529 496 H GLY 65 HN GLY 65 10.023 -1.940 -3.238 497 1HA GLY 65 HA2 GLY 65 10.382 0.561 -2.049 498 2HA GLY 65 HA1 GLY 65 9.018 -0.481 -1.659 499 H LEU 66 HN LEU 66 11.444 -2.440 -0.826 500 HA LEU 66 HA LEU 66 11.140 -2.170 1.956 501 1HB LEU 66 HB2 LEU 66 13.118 -3.467 0.178 502 2HB LEU 66 HB1 LEU 66 13.730 -3.065 1.783 503 HG LEU 66 HG LEU 66 11.152 -4.581 1.275 504 1HD1 LEU 66 HD11 LEU 66 13.951 -5.533 1.909 505 2HD1 LEU 66 HD13 LEU 66 12.521 -6.530 2.171 506 3HD1 LEU 66 HD12 LEU 66 12.938 -5.996 0.542 507 1HD2 LEU 66 HD23 LEU 66 12.318 -3.342 3.612 508 2HD2 LEU 66 HD22 LEU 66 10.782 -4.194 3.465 509 3HD2 LEU 66 HD21 LEU 66 12.253 -5.091 3.838 510 H GLU 67 HN GLU 67 13.291 -0.507 -0.273 511 HA GLU 67 HA GLU 67 14.736 0.928 1.807 512 1HB GLU 67 HB2 GLU 67 14.417 1.424 -1.175 513 2HB GLU 67 HB1 GLU 67 15.521 2.308 -0.127 514 1HG GLU 67 HG2 GLU 67 16.004 -0.425 0.383 515 2HG GLU 67 HG1 GLU 67 15.889 -0.269 -1.370 516 H LEU 68 HN LEU 68 11.832 1.314 -0.089 517 HA LEU 68 HA LEU 68 11.379 4.111 0.565 518 1HB LEU 68 HB2 LEU 68 10.373 3.018 -1.433 519 2HB LEU 68 HB1 LEU 68 9.467 1.941 -0.381 520 HG LEU 68 HG LEU 68 8.331 3.901 0.631 521 1HD1 LEU 68 HD11 LEU 68 10.184 5.323 -1.248 522 2HD1 LEU 68 HD13 LEU 68 8.597 6.020 -0.935 523 3HD1 LEU 68 HD12 LEU 68 9.714 5.748 0.397 524 1HD2 LEU 68 HD21 LEU 68 8.211 3.432 -2.351 525 2HD2 LEU 68 HD23 LEU 68 7.106 2.854 -1.105 526 3HD2 LEU 68 HD22 LEU 68 7.107 4.557 -1.560 527 H LEU 69 HN LEU 69 9.489 1.232 1.423 528 HA LEU 69 HA LEU 69 8.049 2.132 3.596 529 1HB LEU 69 HB2 LEU 69 9.028 -0.392 2.625 530 2HB LEU 69 HB1 LEU 69 9.061 -0.376 4.377 531 HG LEU 69 HG LEU 69 6.576 0.554 2.944 532 1HD1 LEU 69 HD13 LEU 69 7.290 -1.712 2.022 533 2HD1 LEU 69 HD12 LEU 69 7.111 -2.333 3.664 534 3HD1 LEU 69 HD11 LEU 69 5.722 -1.663 2.813 535 1HD2 LEU 69 HD22 LEU 69 7.174 -0.823 5.582 536 2HD2 LEU 69 HD21 LEU 69 6.666 0.853 5.358 537 3HD2 LEU 69 HD23 LEU 69 5.554 -0.467 4.997 538 H LYS 70 HN LYS 70 11.096 0.357 4.084 539 HA LYS 70 HA LYS 70 11.560 0.906 6.742 540 1HB LYS 70 HB2 LYS 70 13.055 -0.390 5.101 541 2HB LYS 70 HB1 LYS 70 13.804 1.166 4.738 542 1HG LYS 70 HG2 LYS 70 14.048 1.408 7.310 543 2HG LYS 70 HG1 LYS 70 13.757 -0.330 7.356 544 1HD LYS 70 HD2 LYS 70 16.007 -0.486 7.059 545 2HD LYS 70 HD1 LYS 70 15.630 -0.160 5.368 546 1HE LYS 70 HE2 LYS 70 15.928 2.262 5.773 547 2HE LYS 70 HE1 LYS 70 16.326 1.926 7.458 548 1HZ LYS 70 HZ2 LYS 70 18.027 0.303 6.264 549 2HZ LYS 70 HZ1 LYS 70 17.907 1.489 5.054 550 3HZ LYS 70 HZ3 LYS 70 18.404 1.922 6.616 551 H THR 71 HN THR 71 12.613 3.080 4.066 552 HA THR 71 HA THR 71 13.740 5.108 5.631 553 HB THR 71 HB THR 71 12.015 5.456 3.159 554 HG1 THR 71 HG1 THR 71 14.724 4.907 3.649 555 1HG2 THR 71 HG21 THR 71 13.886 7.316 4.629 556 2HG2 THR 71 HG23 THR 71 13.432 7.566 2.943 557 3HG2 THR 71 HG22 THR 71 12.198 7.592 4.202 558 H ILE 72 HN ILE 72 10.307 4.435 5.038 559 HA ILE 72 HA ILE 72 9.293 6.818 6.280 560 HB ILE 72 HB ILE 72 7.970 4.092 6.256 561 1HG1 ILE 72 HG12 ILE 72 7.740 6.273 4.159 562 2HG1 ILE 72 HG11 ILE 72 8.799 4.882 3.980 563 1HG2 ILE 72 HG22 ILE 72 7.190 6.502 7.395 564 2HG2 ILE 72 HG21 ILE 72 6.347 6.488 5.848 565 3HG2 ILE 72 HG23 ILE 72 6.123 5.162 6.984 566 1HD1 ILE 72 HD12 ILE 72 6.534 3.563 4.574 567 2HD1 ILE 72 HD11 ILE 72 5.824 5.017 3.881 568 3HD1 ILE 72 HD13 ILE 72 6.932 4.041 2.922 569 NH1 ARG 73 NH1 ARG 73 7.514 -1.773 11.238 570 NH2 ARG 73 NH2 ARG 73 9.560 -2.731 11.227 571 H ARG 73 HN ARG 73 9.966 3.555 7.561 572 HA ARG 73 HA ARG 73 9.087 3.899 10.199 573 1HB ARG 73 HB2 ARG 73 10.812 2.088 8.795 574 2HB ARG 73 HB1 ARG 73 11.568 2.516 10.331 575 1HG ARG 73 HG2 ARG 73 9.514 1.923 11.535 576 2HG ARG 73 HG1 ARG 73 8.711 1.549 10.011 577 1HD ARG 73 HD2 ARG 73 11.107 0.078 9.962 578 2HD ARG 73 HD1 ARG 73 10.476 -0.115 11.597 579 HE ARG 73 HE ARG 73 8.860 -0.737 9.156 580 1HH1 ARG 73 HH11 ARG 73 6.898 -1.041 10.945 581 2HH1 ARG 73 HH12 ARG 73 7.175 -2.503 11.831 582 1HH2 ARG 73 HH21 ARG 73 10.514 -2.733 10.926 583 2HH2 ARG 73 HH22 ARG 73 9.221 -3.461 11.821 584 H ALA 74 HN ALA 74 12.140 4.962 8.730 585 HA ALA 74 HA ALA 74 13.460 5.843 11.072 586 1HB ALA 74 HB1 ALA 74 14.240 5.801 8.562 587 2HB ALA 74 HB3 ALA 74 13.603 7.446 8.533 588 3HB ALA 74 HB2 ALA 74 14.898 7.021 9.652 589 H ASP 75 HN ASP 75 10.802 7.264 9.286 590 HA ASP 75 HA ASP 75 10.956 9.915 10.346 591 1HB ASP 75 HB2 ASP 75 9.349 8.674 8.526 592 2HB ASP 75 HB1 ASP 75 8.250 8.804 9.899 593 H GLY 76 HN GLY 76 10.996 10.317 12.509 594 1HA GLY 76 HA2 GLY 76 10.521 10.097 14.806 595 2HA GLY 76 HA1 GLY 76 8.852 9.999 14.244 596 H ALA 77 HN ALA 77 7.864 8.245 15.101 597 HA ALA 77 HA ALA 77 9.231 5.623 14.928 598 1HB ALA 77 HB3 ALA 77 9.471 6.904 17.264 599 2HB ALA 77 HB2 ALA 77 7.862 6.225 17.512 600 3HB ALA 77 HB1 ALA 77 9.229 5.159 17.187 601 H MET 78 HN MET 78 7.052 6.674 13.427 602 HA MET 78 HA MET 78 4.880 4.827 14.324 603 1HB MET 78 HB2 MET 78 3.659 6.954 12.920 604 2HB MET 78 HB1 MET 78 3.496 6.574 14.634 605 1HG MET 78 HG2 MET 78 5.465 7.935 15.153 606 2HG MET 78 HG1 MET 78 5.702 8.280 13.441 607 1HE MET 78 HE1 MET 78 4.106 9.147 11.970 608 2HE MET 78 HE3 MET 78 2.426 8.898 12.463 609 3HE MET 78 HE2 MET 78 3.071 10.530 12.313 610 H SER 79 HN SER 79 7.070 5.642 11.965 611 HA SER 79 HA SER 79 7.219 5.185 9.660 612 1HB SER 79 HB2 SER 79 6.922 2.897 10.866 613 2HB SER 79 HB1 SER 79 5.291 2.933 10.204 614 HG SER 79 HG SER 79 6.109 2.915 8.175 615 H ALA 80 HN ALA 80 4.769 3.603 8.510 616 HA ALA 80 HA ALA 80 3.004 5.986 8.096 617 1HB ALA 80 HB1 ALA 80 4.234 4.103 6.100 618 2HB ALA 80 HB3 ALA 80 2.684 4.861 5.742 619 3HB ALA 80 HB2 ALA 80 4.102 5.859 6.038 620 H LEU 81 HN LEU 81 2.539 3.947 10.027 621 HA LEU 81 HA LEU 81 0.986 2.348 10.665 622 1HB LEU 81 HB2 LEU 81 -0.848 3.804 8.777 623 2HB LEU 81 HB1 LEU 81 -1.131 3.266 10.434 624 HG LEU 81 HG LEU 81 0.605 5.584 9.574 625 1HD1 LEU 81 HD13 LEU 81 -2.154 5.326 10.430 626 2HD1 LEU 81 HD12 LEU 81 -1.236 6.296 11.577 627 3HD1 LEU 81 HD11 LEU 81 -1.286 6.761 9.880 628 1HD2 LEU 81 HD22 LEU 81 0.390 4.041 12.137 629 2HD2 LEU 81 HD21 LEU 81 1.804 4.810 11.414 630 3HD2 LEU 81 HD23 LEU 81 0.587 5.790 12.229 631 HA PRO 82 HA PRO 82 0.341 -1.025 7.905 632 1HB PRO 82 HB2 PRO 82 -2.251 -0.776 6.708 633 2HB PRO 82 HB1 PRO 82 -1.723 -1.911 7.926 634 1HG PRO 82 HG2 PRO 82 -3.445 0.326 8.307 635 2HG PRO 82 HG1 PRO 82 -2.791 -0.734 9.561 636 1HD PRO 82 HD2 PRO 82 -2.101 1.974 8.958 637 2HD PRO 82 HD1 PRO 82 -1.491 0.985 10.295 638 H VAL 83 HN VAL 83 0.552 -1.794 5.816 639 HA VAL 83 HA VAL 83 0.293 0.122 3.551 640 HB VAL 83 HB VAL 83 2.779 -1.352 4.461 641 1HG1 VAL 83 HG13 VAL 83 1.916 -0.737 1.625 642 2HG1 VAL 83 HG12 VAL 83 3.619 -0.775 2.053 643 3HG1 VAL 83 HG11 VAL 83 2.629 -2.216 2.252 644 1HG2 VAL 83 HG22 VAL 83 1.998 1.358 4.359 645 2HG2 VAL 83 HG21 VAL 83 3.619 0.740 4.638 646 3HG2 VAL 83 HG23 VAL 83 3.108 1.145 3.005 647 H LEU 84 HN LEU 84 -0.472 -0.884 1.756 648 HA LEU 84 HA LEU 84 -0.541 -3.860 1.811 649 1HB LEU 84 HB2 LEU 84 -2.785 -2.797 1.940 650 2HB LEU 84 HB1 LEU 84 -2.468 -1.987 0.413 651 HG LEU 84 HG LEU 84 -2.196 -4.196 -0.686 652 1HD1 LEU 84 HD11 LEU 84 -2.544 -5.115 2.135 653 2HD1 LEU 84 HD13 LEU 84 -3.272 -6.098 0.865 654 3HD1 LEU 84 HD12 LEU 84 -1.538 -5.784 0.851 655 1HD2 LEU 84 HD21 LEU 84 -4.646 -3.167 0.527 656 2HD2 LEU 84 HD23 LEU 84 -4.377 -3.783 -1.104 657 3HD2 LEU 84 HD22 LEU 84 -4.735 -4.901 0.213 658 H MET 85 HN MET 85 1.697 -3.507 0.871 659 HA MET 85 HA MET 85 2.025 -2.244 -1.639 660 1HB MET 85 HB2 MET 85 4.101 -3.491 -1.870 661 2HB MET 85 HB1 MET 85 3.926 -3.006 -0.186 662 1HG MET 85 HG2 MET 85 4.525 -5.250 0.021 663 2HG MET 85 HG1 MET 85 2.770 -5.338 0.083 664 1HE MET 85 HE2 MET 85 5.058 -7.509 -0.633 665 2HE MET 85 HE1 MET 85 5.296 -7.840 -2.347 666 3HE MET 85 HE3 MET 85 5.975 -6.376 -1.623 667 H VAL 86 HN VAL 86 2.307 -3.326 -3.755 668 HA VAL 86 HA VAL 86 0.505 -5.701 -4.034 669 HB VAL 86 HB VAL 86 0.705 -3.278 -5.839 670 1HG1 VAL 86 HG11 VAL 86 -0.845 -5.850 -5.932 671 2HG1 VAL 86 HG13 VAL 86 -1.482 -4.393 -6.696 672 3HG1 VAL 86 HG12 VAL 86 0.068 -5.055 -7.218 673 1HG2 VAL 86 HG23 VAL 86 -1.368 -4.151 -3.803 674 2HG2 VAL 86 HG22 VAL 86 -0.391 -2.684 -3.761 675 3HG2 VAL 86 HG21 VAL 86 -1.639 -2.876 -4.993 676 H THR 87 HN THR 87 1.217 -7.304 -5.445 677 HA THR 87 HA THR 87 3.460 -6.677 -7.273 678 HB THR 87 HB THR 87 4.596 -7.276 -5.174 679 HG1 THR 87 HG1 THR 87 5.112 -9.607 -6.361 680 1HG2 THR 87 HG22 THR 87 2.482 -8.821 -4.606 681 2HG2 THR 87 HG21 THR 87 3.540 -10.059 -5.282 682 3HG2 THR 87 HG23 THR 87 4.068 -9.109 -3.893 683 H ALA 88 HN ALA 88 4.117 -9.036 -8.261 684 HA ALA 88 HA ALA 88 1.580 -10.508 -8.841 685 1HB ALA 88 HB2 ALA 88 2.880 -8.787 -10.630 686 2HB ALA 88 HB1 ALA 88 3.389 -10.403 -11.119 687 3HB ALA 88 HB3 ALA 88 1.674 -10.006 -11.042 688 H GLU 89 HN GLU 89 1.892 -12.751 -9.264 689 HA GLU 89 HA GLU 89 2.962 -14.810 -8.867 690 1HB GLU 89 HB2 GLU 89 4.024 -13.924 -11.036 691 2HB GLU 89 HB1 GLU 89 5.402 -13.458 -10.037 692 1HG GLU 89 HG2 GLU 89 5.338 -15.901 -9.172 693 2HG GLU 89 HG1 GLU 89 4.329 -16.223 -10.583 694 H ALA 90 HN ALA 90 2.869 -13.462 -6.545 695 HA ALA 90 HA ALA 90 5.183 -12.626 -5.232 696 1HB ALA 90 HB1 ALA 90 2.670 -13.960 -4.386 697 2HB ALA 90 HB3 ALA 90 3.999 -13.986 -3.229 698 3HB ALA 90 HB2 ALA 90 3.382 -12.446 -3.826 699 H LYS 91 HN LYS 91 6.952 -13.659 -4.300 700 HA LYS 91 HA LYS 91 7.354 -16.486 -5.086 701 1HB LYS 91 HB2 LYS 91 9.114 -14.210 -4.309 702 2HB LYS 91 HB1 LYS 91 9.675 -15.831 -3.901 703 1HG LYS 91 HG2 LYS 91 9.639 -16.540 -6.167 704 2HG LYS 91 HG1 LYS 91 8.659 -15.163 -6.664 705 1HD LYS 91 HD2 LYS 91 10.909 -14.716 -7.388 706 2HD LYS 91 HD1 LYS 91 10.598 -13.665 -6.009 707 1HE LYS 91 HE2 LYS 91 12.831 -14.815 -5.921 708 2HE LYS 91 HE1 LYS 91 11.811 -15.151 -4.526 709 1HZ LYS 91 HZ2 LYS 91 11.326 -17.000 -6.632 710 2HZ LYS 91 HZ1 LYS 91 12.969 -16.994 -6.202 711 3HZ LYS 91 HZ3 LYS 91 11.788 -17.299 -5.024 712 H LYS 92 HN LYS 92 8.745 -15.006 -2.208 713 HA LYS 92 HA LYS 92 6.965 -16.063 -0.262 714 1HB LYS 92 HB2 LYS 92 8.628 -18.053 -1.505 715 2HB LYS 92 HB1 LYS 92 9.138 -17.856 0.171 716 1HG LYS 92 HG2 LYS 92 6.253 -18.253 -0.671 717 2HG LYS 92 HG1 LYS 92 7.312 -19.558 -0.140 718 1HD LYS 92 HD2 LYS 92 7.069 -18.996 2.032 719 2HD LYS 92 HD1 LYS 92 7.373 -17.292 1.698 720 1HE LYS 92 HE2 LYS 92 5.063 -17.787 2.607 721 2HE LYS 92 HE1 LYS 92 5.077 -16.927 1.067 722 1HZ LYS 92 HZ1 LYS 92 4.969 -19.872 1.143 723 2HZ LYS 92 HZ3 LYS 92 3.554 -18.956 1.328 724 3HZ LYS 92 HZ2 LYS 92 4.475 -18.816 -0.093 725 H GLU 93 HN GLU 93 10.521 -16.399 -0.377 726 HA GLU 93 HA GLU 93 10.979 -15.201 2.122 727 1HB GLU 93 HB2 GLU 93 12.809 -15.182 -0.293 728 2HB GLU 93 HB1 GLU 93 13.306 -14.918 1.378 729 1HG GLU 93 HG2 GLU 93 12.069 -17.247 1.741 730 2HG GLU 93 HG1 GLU 93 12.454 -17.448 0.032 731 H ASN 94 HN ASN 94 9.770 -13.747 -0.647 732 HA ASN 94 HA ASN 94 10.992 -11.108 -0.147 733 1HB ASN 94 HB2 ASN 94 9.189 -12.282 -2.235 734 2HB ASN 94 HB1 ASN 94 9.222 -10.533 -2.022 735 1HD2 ASN 94 HD22 ASN 94 12.271 -12.337 -3.936 736 2HD2 ASN 94 HD21 ASN 94 10.855 -13.164 -3.494 737 H ILE 95 HN ILE 95 8.098 -12.866 0.644 738 HA ILE 95 HA ILE 95 6.632 -10.407 1.367 739 HB ILE 95 HB ILE 95 5.719 -13.186 2.053 740 1HG1 ILE 95 HG12 ILE 95 6.423 -13.450 -0.237 741 2HG1 ILE 95 HG11 ILE 95 4.674 -13.244 -0.257 742 1HG2 ILE 95 HG22 ILE 95 4.529 -10.962 2.647 743 2HG2 ILE 95 HG21 ILE 95 4.125 -10.885 0.934 744 3HG2 ILE 95 HG23 ILE 95 3.565 -12.242 1.911 745 1HD1 ILE 95 HD11 ILE 95 5.291 -10.686 -0.527 746 2HD1 ILE 95 HD13 ILE 95 6.815 -11.337 -1.131 747 3HD1 ILE 95 HD12 ILE 95 5.299 -11.759 -1.925 748 H ILE 96 HN ILE 96 8.964 -12.333 2.821 749 HA ILE 96 HA ILE 96 7.851 -12.095 5.543 750 HB ILE 96 HB ILE 96 10.367 -13.313 4.409 751 1HG1 ILE 96 HG12 ILE 96 8.168 -14.517 6.111 752 2HG1 ILE 96 HG11 ILE 96 8.111 -14.501 4.348 753 1HG2 ILE 96 HG22 ILE 96 9.635 -12.690 7.269 754 2HG2 ILE 96 HG21 ILE 96 10.684 -14.052 6.876 755 3HG2 ILE 96 HG23 ILE 96 11.167 -12.413 6.441 756 1HD1 ILE 96 HD12 ILE 96 10.349 -15.655 4.337 757 2HD1 ILE 96 HD11 ILE 96 10.217 -15.812 6.089 758 3HD1 ILE 96 HD13 ILE 96 9.052 -16.621 5.040 759 H ALA 97 HN ALA 97 11.033 -11.226 4.170 760 HA ALA 97 HA ALA 97 11.842 -9.422 6.126 761 1HB ALA 97 HB1 ALA 97 12.917 -10.163 3.784 762 2HB ALA 97 HB3 ALA 97 12.295 -8.586 3.296 763 3HB ALA 97 HB2 ALA 97 13.445 -8.707 4.628 764 H ALA 98 HN ALA 98 9.682 -8.818 3.386 765 HA ALA 98 HA ALA 98 9.336 -6.025 3.735 766 1HB ALA 98 HB1 ALA 98 8.428 -7.706 1.907 767 2HB ALA 98 HB3 ALA 98 7.013 -7.754 2.959 768 3HB ALA 98 HB2 ALA 98 7.546 -6.225 2.266 769 H ALA 99 HN ALA 99 7.221 -8.659 4.952 770 HA ALA 99 HA ALA 99 5.494 -7.090 6.481 771 1HB ALA 99 HB1 ALA 99 5.431 -9.628 6.058 772 2HB ALA 99 HB3 ALA 99 6.512 -9.763 7.447 773 3HB ALA 99 HB2 ALA 99 4.901 -9.072 7.647 774 H GLN 100 HN GLN 100 8.638 -8.458 7.474 775 HA GLN 100 HA GLN 100 8.657 -7.676 10.160 776 1HB GLN 100 HB2 GLN 100 10.613 -8.437 8.197 777 2HB GLN 100 HB1 GLN 100 11.229 -7.057 9.108 778 1HG GLN 100 HG2 GLN 100 10.808 -8.214 11.218 779 2HG GLN 100 HG1 GLN 100 10.077 -9.570 10.359 780 1HE2 GLN 100 HE22 GLN 100 13.211 -10.902 9.257 781 2HE2 GLN 100 HE21 GLN 100 11.544 -10.872 8.936 782 H ALA 101 HN ALA 101 8.858 -5.726 7.286 783 HA ALA 101 HA ALA 101 9.655 -3.315 8.796 784 1HB ALA 101 HB2 ALA 101 10.485 -3.716 6.468 785 2HB ALA 101 HB1 ALA 101 8.824 -3.599 5.887 786 3HB ALA 101 HB3 ALA 101 9.602 -2.197 6.619 787 H GLY 102 HN GLY 102 7.488 -2.456 6.411 788 1HA GLY 102 HA2 GLY 102 5.208 -2.342 8.298 789 2HA GLY 102 HA1 GLY 102 5.616 -0.972 7.281 790 H ALA 103 HN ALA 103 6.408 -3.314 5.323 791 HA ALA 103 HA ALA 103 4.197 -3.165 3.568 792 1HB ALA 103 HB2 ALA 103 6.707 -4.643 3.756 793 2HB ALA 103 HB1 ALA 103 5.431 -5.538 2.928 794 3HB ALA 103 HB3 ALA 103 5.917 -3.950 2.338 795 H SER 104 HN SER 104 3.946 -4.324 6.461 796 HA SER 104 HA SER 104 3.164 -6.852 6.832 797 1HB SER 104 HB2 SER 104 1.716 -4.330 7.559 798 2HB SER 104 HB1 SER 104 0.983 -5.885 7.943 799 HG SER 104 HG SER 104 3.497 -6.088 8.630 800 H GLY 105 HN GLY 105 1.352 -4.668 4.691 801 1HA GLY 105 HA2 GLY 105 -0.547 -6.890 4.103 802 2HA GLY 105 HA1 GLY 105 -0.791 -5.204 3.677 803 OH TYR 106 OH TYR 106 1.281 -13.232 -2.690 804 H TYR 106 HN TYR 106 -0.267 -8.073 2.290 805 HA TYR 106 HA TYR 106 1.011 -6.821 -0.083 806 1HB TYR 106 HB2 TYR 106 2.908 -8.022 0.162 807 2HB TYR 106 HB1 TYR 106 2.237 -8.895 1.543 808 HD1 TYR 106 HD1 TYR 106 2.105 -8.775 -2.230 809 HD2 TYR 106 HD2 TYR 106 1.581 -11.143 1.323 810 HE1 TYR 106 HE1 TYR 106 1.760 -10.796 -3.608 811 HE2 TYR 106 HE2 TYR 106 1.243 -13.156 -0.064 812 HH TYR 106 HH TYR 106 0.876 -13.902 -2.134 813 H VAL 107 HN VAL 107 -0.258 -7.205 -1.785 814 HA VAL 107 HA VAL 107 -1.933 -9.686 -1.787 815 HB VAL 107 HB VAL 107 -3.262 -7.601 -1.413 816 1HG1 VAL 107 HG11 VAL 107 -1.503 -6.377 -3.021 817 2HG1 VAL 107 HG13 VAL 107 -2.705 -6.796 -4.242 818 3HG1 VAL 107 HG12 VAL 107 -3.160 -5.797 -2.862 819 1HG2 VAL 107 HG22 VAL 107 -3.639 -8.941 -4.116 820 2HG2 VAL 107 HG21 VAL 107 -4.246 -9.546 -2.577 821 3HG2 VAL 107 HG23 VAL 107 -4.874 -8.040 -3.241 822 H VAL 108 HN VAL 108 -1.421 -10.988 -3.473 823 HA VAL 108 HA VAL 108 0.396 -10.012 -5.516 824 HB VAL 108 HB VAL 108 0.457 -12.368 -4.699 825 1HG1 VAL 108 HG13 VAL 108 -2.245 -12.299 -4.813 826 2HG1 VAL 108 HG12 VAL 108 -1.896 -13.121 -6.334 827 3HG1 VAL 108 HG11 VAL 108 -1.317 -13.799 -4.813 828 1HG2 VAL 108 HG22 VAL 108 -0.240 -12.084 -7.638 829 2HG2 VAL 108 HG21 VAL 108 1.356 -11.839 -6.928 830 3HG2 VAL 108 HG23 VAL 108 0.624 -13.443 -6.921 831 H LYS 109 HN LYS 109 -0.582 -8.516 -6.901 832 HA LYS 109 HA LYS 109 -3.329 -8.576 -7.675 833 1HB LYS 109 HB2 LYS 109 -2.788 -6.563 -8.558 834 2HB LYS 109 HB1 LYS 109 -1.156 -6.862 -7.995 835 1HG LYS 109 HG2 LYS 109 -0.627 -7.983 -10.165 836 2HG LYS 109 HG1 LYS 109 -2.240 -7.553 -10.744 837 1HD LYS 109 HD2 LYS 109 -1.753 -5.185 -10.458 838 2HD LYS 109 HD1 LYS 109 -0.176 -5.566 -9.766 839 1HE LYS 109 HE2 LYS 109 0.352 -6.781 -11.939 840 2HE LYS 109 HE1 LYS 109 -1.113 -6.052 -12.601 841 1HZ LYS 109 HZ3 LYS 109 -0.022 -3.895 -11.627 842 2HZ LYS 109 HZ2 LYS 109 1.410 -4.788 -11.820 843 3HZ LYS 109 HZ1 LYS 109 0.411 -4.479 -13.159 844 HA PRO 110 HA PRO 110 -4.326 -7.743 -9.762 845 1HB PRO 110 HB2 PRO 110 -6.361 -9.277 -11.059 846 2HB PRO 110 HB1 PRO 110 -5.414 -7.950 -11.746 847 1HG PRO 110 HG2 PRO 110 -5.249 -10.700 -12.462 848 2HG PRO 110 HG1 PRO 110 -4.169 -9.401 -12.990 849 1HD PRO 110 HD2 PRO 110 -3.677 -11.519 -11.008 850 2HD PRO 110 HD1 PRO 110 -2.514 -10.443 -11.810 851 H PHE 111 HN PHE 111 -6.479 -7.557 -8.667 852 HA PHE 111 HA PHE 111 -7.400 -10.002 -7.260 853 1HB PHE 111 HB2 PHE 111 -7.628 -8.631 -5.129 854 2HB PHE 111 HB1 PHE 111 -5.990 -9.104 -5.554 855 HD1 PHE 111 HD2 PHE 111 -8.457 -6.270 -5.886 856 HD2 PHE 111 HD1 PHE 111 -4.332 -7.473 -5.790 857 HE1 PHE 111 HE2 PHE 111 -7.742 -3.906 -5.965 858 HE2 PHE 111 HE1 PHE 111 -3.629 -5.104 -5.853 859 HZ PHE 111 HZ PHE 111 -5.339 -3.316 -5.938 860 H THR 112 HN THR 112 -9.480 -9.701 -6.271 861 HA THR 112 HA THR 112 -11.132 -7.684 -7.721 862 HB THR 112 HB THR 112 -12.346 -9.876 -6.082 863 HG1 THR 112 HG1 THR 112 -10.593 -10.775 -7.372 864 1HG2 THR 112 HG23 THR 112 -13.483 -7.998 -7.529 865 2HG2 THR 112 HG22 THR 112 -13.094 -9.072 -8.873 866 3HG2 THR 112 HG21 THR 112 -14.128 -9.638 -7.562 867 H ALA 113 HN ALA 113 -12.604 -6.393 -6.388 868 HA ALA 113 HA ALA 113 -11.498 -5.386 -4.021 869 1HB ALA 113 HB3 ALA 113 -13.588 -4.600 -5.460 870 2HB ALA 113 HB2 ALA 113 -14.490 -5.519 -4.255 871 3HB ALA 113 HB1 ALA 113 -13.471 -4.170 -3.752 872 H ALA 114 HN ALA 114 -12.957 -8.418 -4.519 873 HA ALA 114 HA ALA 114 -13.830 -8.804 -1.759 874 1HB ALA 114 HB3 ALA 114 -14.472 -10.087 -4.051 875 2HB ALA 114 HB2 ALA 114 -13.191 -11.154 -3.477 876 3HB ALA 114 HB1 ALA 114 -14.606 -10.855 -2.468 877 H THR 115 HN THR 115 -10.995 -9.657 -3.736 878 HA THR 115 HA THR 115 -9.668 -11.068 -1.585 879 HB THR 115 HB THR 115 -7.684 -10.020 -3.284 880 HG1 THR 115 HG1 THR 115 -10.108 -10.640 -4.602 881 1HG2 THR 115 HG22 THR 115 -9.190 -12.646 -3.394 882 2HG2 THR 115 HG21 THR 115 -7.617 -12.340 -4.130 883 3HG2 THR 115 HG23 THR 115 -7.793 -12.299 -2.375 884 H LEU 116 HN LEU 116 -8.928 -7.813 -3.057 885 HA LEU 116 HA LEU 116 -7.209 -6.943 -1.013 886 1HB LEU 116 HB2 LEU 116 -8.429 -5.743 -3.180 887 2HB LEU 116 HB1 LEU 116 -9.147 -4.887 -1.819 888 HG LEU 116 HG LEU 116 -6.818 -4.549 -0.898 889 1HD1 LEU 116 HD13 LEU 116 -6.192 -6.123 -3.318 890 2HD1 LEU 116 HD12 LEU 116 -5.198 -4.687 -3.104 891 3HD1 LEU 116 HD11 LEU 116 -5.262 -5.912 -1.837 892 1HD2 LEU 116 HD21 LEU 116 -8.123 -2.878 -2.364 893 2HD2 LEU 116 HD23 LEU 116 -6.382 -2.640 -2.237 894 3HD2 LEU 116 HD22 LEU 116 -7.065 -3.392 -3.674 895 H GLU 117 HN GLU 117 -10.782 -7.042 -0.989 896 HA GLU 117 HA GLU 117 -11.158 -5.625 1.435 897 1HB GLU 117 HB2 GLU 117 -13.117 -6.039 0.183 898 2HB GLU 117 HB1 GLU 117 -12.763 -7.761 0.047 899 1HG GLU 117 HG2 GLU 117 -14.582 -7.047 1.740 900 2HG GLU 117 HG1 GLU 117 -13.350 -8.178 2.299 901 H GLU 118 HN GLU 118 -11.043 -9.155 0.930 902 HA GLU 118 HA GLU 118 -11.158 -10.028 3.562 903 1HB GLU 118 HB2 GLU 118 -10.610 -11.244 1.184 904 2HB GLU 118 HB1 GLU 118 -9.031 -11.332 1.964 905 1HG GLU 118 HG2 GLU 118 -10.143 -13.304 2.661 906 2HG GLU 118 HG1 GLU 118 -10.299 -12.204 4.032 907 H LYS 119 HN LYS 119 -8.025 -9.579 1.890 908 HA LYS 119 HA LYS 119 -6.358 -9.651 4.118 909 1HB LYS 119 HB2 LYS 119 -6.204 -8.634 1.406 910 2HB LYS 119 HB1 LYS 119 -5.326 -7.573 2.507 911 1HG LYS 119 HG2 LYS 119 -3.904 -9.326 3.244 912 2HG LYS 119 HG1 LYS 119 -4.956 -10.575 2.580 913 1HD LYS 119 HD2 LYS 119 -4.070 -8.702 0.525 914 2HD LYS 119 HD1 LYS 119 -2.720 -9.497 1.333 915 1HE LYS 119 HE2 LYS 119 -5.126 -11.000 0.280 916 2HE LYS 119 HE1 LYS 119 -3.654 -10.762 -0.657 917 1HZ LYS 119 HZ2 LYS 119 -3.758 -12.024 2.027 918 2HZ LYS 119 HZ1 LYS 119 -3.689 -12.881 0.563 919 3HZ LYS 119 HZ3 LYS 119 -2.393 -11.889 1.025 920 H LEU 120 HN LEU 120 -8.576 -7.122 3.183 921 HA LEU 120 HA LEU 120 -7.436 -5.046 4.823 922 1HB LEU 120 HB2 LEU 120 -9.438 -5.153 2.944 923 2HB LEU 120 HB1 LEU 120 -10.382 -5.035 4.419 924 HG LEU 120 HG LEU 120 -9.930 -2.811 3.457 925 1HD1 LEU 120 HD12 LEU 120 -8.593 -3.448 6.084 926 2HD1 LEU 120 HD11 LEU 120 -8.784 -1.800 5.492 927 3HD1 LEU 120 HD13 LEU 120 -10.204 -2.793 5.815 928 1HD2 LEU 120 HD21 LEU 120 -7.443 -3.832 2.823 929 2HD2 LEU 120 HD23 LEU 120 -7.896 -2.129 2.741 930 3HD2 LEU 120 HD22 LEU 120 -7.087 -2.757 4.175 931 H ASN 121 HN ASN 121 -10.615 -6.552 5.462 932 HA ASN 121 HA ASN 121 -10.634 -5.997 8.216 933 1HB ASN 121 HB2 ASN 121 -12.174 -7.598 6.385 934 2HB ASN 121 HB1 ASN 121 -11.936 -8.491 7.886 935 1HD2 ASN 121 HD22 ASN 121 -13.750 -4.807 8.238 936 2HD2 ASN 121 HD21 ASN 121 -12.488 -4.998 7.120 937 H LYS 122 HN LYS 122 -8.747 -8.368 6.537 938 HA LYS 122 HA LYS 122 -8.362 -10.049 8.905 939 1HB LYS 122 HB2 LYS 122 -8.112 -10.577 6.268 940 2HB LYS 122 HB1 LYS 122 -6.432 -10.199 6.644 941 1HG LYS 122 HG2 LYS 122 -6.473 -12.471 7.119 942 2HG LYS 122 HG1 LYS 122 -6.866 -11.809 8.706 943 1HD LYS 122 HD2 LYS 122 -9.297 -12.055 8.153 944 2HD LYS 122 HD1 LYS 122 -8.838 -12.833 6.639 945 1HE LYS 122 HE2 LYS 122 -8.608 -14.799 7.704 946 2HE LYS 122 HE1 LYS 122 -7.398 -14.091 8.773 947 1HZ LYS 122 HZ3 LYS 122 -10.234 -13.523 9.267 948 2HZ LYS 122 HZ2 LYS 122 -9.614 -15.037 9.725 949 3HZ LYS 122 HZ1 LYS 122 -8.945 -13.613 10.367 950 H ILE 123 HN ILE 123 -6.850 -7.233 7.517 951 HA ILE 123 HA ILE 123 -4.397 -7.611 9.123 952 HB ILE 123 HB ILE 123 -5.321 -5.601 7.091 953 1HG1 ILE 123 HG12 ILE 123 -2.746 -7.180 7.407 954 2HG1 ILE 123 HG11 ILE 123 -4.134 -7.742 6.478 955 1HG2 ILE 123 HG23 ILE 123 -3.194 -5.257 9.203 956 2HG2 ILE 123 HG22 ILE 123 -3.027 -4.471 7.636 957 3HG2 ILE 123 HG21 ILE 123 -4.408 -4.098 8.663 958 1HD1 ILE 123 HD12 ILE 123 -3.937 -5.475 5.220 959 2HD1 ILE 123 HD11 ILE 123 -2.318 -5.402 5.916 960 3HD1 ILE 123 HD13 ILE 123 -2.761 -6.735 4.850 961 H PHE 124 HN PHE 124 -7.235 -5.452 9.049 962 HA PHE 124 HA PHE 124 -6.348 -3.800 11.207 963 1HB PHE 124 HB2 PHE 124 -9.056 -4.370 10.022 964 2HB PHE 124 HB1 PHE 124 -8.854 -3.288 11.399 965 HD1 PHE 124 HD2 PHE 124 -7.381 -3.965 8.038 966 HD2 PHE 124 HD1 PHE 124 -8.365 -1.020 10.993 967 HE1 PHE 124 HE2 PHE 124 -6.620 -2.191 6.505 968 HE2 PHE 124 HE1 PHE 124 -7.591 0.771 9.461 969 HZ PHE 124 HZ PHE 124 -6.724 0.178 7.206 970 H GLU 125 HN GLU 125 -7.145 -7.041 11.233 971 HA GLU 125 HA GLU 125 -8.549 -7.187 13.757 972 1HB GLU 125 HB2 GLU 125 -8.476 -9.099 12.164 973 2HB GLU 125 HB1 GLU 125 -6.738 -9.242 12.434 974 1HG GLU 125 HG2 GLU 125 -7.061 -10.408 14.331 975 2HG GLU 125 HG1 GLU 125 -8.158 -9.178 14.959 976 H LYS 126 HN LYS 126 -5.263 -6.762 12.748 977 HA LYS 126 HA LYS 126 -4.204 -7.192 15.476 978 1HB LYS 126 HB2 LYS 126 -2.882 -6.418 12.855 979 2HB LYS 126 HB1 LYS 126 -2.013 -6.603 14.379 980 1HG LYS 126 HG2 LYS 126 -3.735 -8.891 13.826 981 2HG LYS 126 HG1 LYS 126 -2.549 -8.633 12.546 982 1HD LYS 126 HD2 LYS 126 -0.737 -8.602 14.201 983 2HD LYS 126 HD1 LYS 126 -1.908 -8.803 15.505 984 1HE LYS 126 HE2 LYS 126 -2.619 -10.965 14.496 985 2HE LYS 126 HE1 LYS 126 -1.372 -10.775 13.264 986 1HZ LYS 126 HZ1 LYS 126 -0.461 -10.471 15.993 987 2HZ LYS 126 HZ3 LYS 126 -1.001 -12.029 15.597 988 3HZ LYS 126 HZ2 LYS 126 0.247 -11.309 14.695 989 H LEU 127 HN LEU 127 -4.907 -4.628 13.154 990 HA LEU 127 HA LEU 127 -3.754 -2.501 14.749 991 1HB LEU 127 HB2 LEU 127 -4.580 -2.632 12.162 992 2HB LEU 127 HB1 LEU 127 -6.012 -1.903 12.881 993 HG LEU 127 HG LEU 127 -4.513 -0.146 12.120 994 1HD1 LEU 127 HD12 LEU 127 -5.754 0.009 14.369 995 2HD1 LEU 127 HD11 LEU 127 -4.178 -0.248 15.117 996 3HD1 LEU 127 HD13 LEU 127 -4.448 1.157 14.088 997 1HD2 LEU 127 HD22 LEU 127 -2.481 -1.917 12.870 998 2HD2 LEU 127 HD21 LEU 127 -2.266 -0.266 12.287 999 3HD2 LEU 127 HD23 LEU 127 -2.346 -0.586 14.020 1000 H GLY 128 HN GLY 128 -6.749 -4.260 14.729 1001 1HA GLY 128 HA2 GLY 128 -8.614 -4.147 16.140 1002 2HA GLY 128 HA1 GLY 128 -7.550 -3.333 17.287 1003 H MET 129 HN MET 129 -9.853 -2.850 14.683 1004 HA MET 129 HA MET 129 -10.034 0.042 15.454 1005 1HB MET 129 HB2 MET 129 -9.794 -1.256 12.826 1006 2HB MET 129 HB1 MET 129 -11.114 -0.092 12.929 1007 1HG MET 129 HG2 MET 129 -8.284 0.509 13.825 1008 2HG MET 129 HG1 MET 129 -8.907 0.910 12.224 1009 1HE MET 129 HE1 MET 129 -8.478 1.795 15.787 1010 2HE MET 129 HE3 MET 129 -7.698 2.860 14.609 1011 3HE MET 129 HE2 MET 129 -8.910 3.502 15.715 Start of MODEL 36 Raw file had 1011 H/Q atoms Start of MODEL 36 1 H ALA 2 HN ALA 2 -14.843 -0.586 7.016 2 HA ALA 2 HA ALA 2 -13.644 -0.070 9.661 3 1HB ALA 2 HB3 ALA 2 -11.963 -1.272 8.041 4 2HB ALA 2 HB2 ALA 2 -11.866 0.308 7.264 5 3HB ALA 2 HB1 ALA 2 -11.421 0.133 8.961 6 H ASP 3 HN ASP 3 -12.320 2.233 9.222 7 HA ASP 3 HA ASP 3 -14.220 4.240 8.993 8 1HB ASP 3 HB2 ASP 3 -11.740 4.459 9.629 9 2HB ASP 3 HB1 ASP 3 -11.416 4.573 7.899 10 H LYS 4 HN LYS 4 -15.177 5.386 7.276 11 HA LYS 4 HA LYS 4 -14.930 4.096 4.636 12 1HB LYS 4 HB2 LYS 4 -16.752 6.314 5.582 13 2HB LYS 4 HB1 LYS 4 -16.819 5.564 3.993 14 1HG LYS 4 HG2 LYS 4 -16.826 3.478 5.946 15 2HG LYS 4 HG1 LYS 4 -18.055 4.661 6.399 16 1HD LYS 4 HD2 LYS 4 -19.007 4.571 4.137 17 2HD LYS 4 HD1 LYS 4 -17.759 3.428 3.647 18 1HE LYS 4 HE2 LYS 4 -19.964 2.364 4.251 19 2HE LYS 4 HE1 LYS 4 -18.584 1.755 5.167 20 1HZ LYS 4 HZ3 LYS 4 -19.799 4.048 6.380 21 2HZ LYS 4 HZ2 LYS 4 -20.886 2.752 6.224 22 3HZ LYS 4 HZ1 LYS 4 -19.422 2.540 7.060 23 H GLU 5 HN GLU 5 -12.982 6.184 6.019 24 HA GLU 5 HA GLU 5 -12.490 7.636 3.482 25 1HB GLU 5 HB2 GLU 5 -14.000 8.994 5.094 26 2HB GLU 5 HB1 GLU 5 -12.542 9.182 6.068 27 1HG GLU 5 HG2 GLU 5 -11.421 9.937 3.849 28 2HG GLU 5 HG1 GLU 5 -13.072 10.165 3.270 29 H LEU 6 HN LEU 6 -10.953 5.543 4.622 30 HA LEU 6 HA LEU 6 -8.786 6.691 6.145 31 1HB LEU 6 HB2 LEU 6 -9.357 4.289 6.296 32 2HB LEU 6 HB1 LEU 6 -8.915 4.078 4.608 33 HG LEU 6 HG LEU 6 -6.588 4.679 5.103 34 1HD1 LEU 6 HD11 LEU 6 -7.793 5.337 7.775 35 2HD1 LEU 6 HD13 LEU 6 -6.125 4.769 7.709 36 3HD1 LEU 6 HD12 LEU 6 -6.592 6.233 6.844 37 1HD2 LEU 6 HD23 LEU 6 -7.908 2.578 6.806 38 2HD2 LEU 6 HD22 LEU 6 -6.931 2.375 5.353 39 3HD2 LEU 6 HD21 LEU 6 -6.168 2.839 6.875 40 H LYS 7 HN LYS 7 -6.887 7.591 5.313 41 HA LYS 7 HA LYS 7 -6.964 8.302 2.492 42 1HB LYS 7 HB2 LYS 7 -5.082 8.963 4.754 43 2HB LYS 7 HB1 LYS 7 -4.837 9.531 3.111 44 1HG LYS 7 HG2 LYS 7 -6.455 11.085 3.274 45 2HG LYS 7 HG1 LYS 7 -7.571 9.950 4.034 46 1HD LYS 7 HD2 LYS 7 -6.578 10.304 6.201 47 2HD LYS 7 HD1 LYS 7 -5.252 11.233 5.501 48 1HE LYS 7 HE2 LYS 7 -7.893 12.286 4.782 49 2HE LYS 7 HE1 LYS 7 -7.590 12.307 6.519 50 1HZ LYS 7 HZ1 LYS 7 -5.246 13.149 5.364 51 2HZ LYS 7 HZ3 LYS 7 -6.460 13.933 4.477 52 3HZ LYS 7 HZ2 LYS 7 -6.389 14.120 6.164 53 H PHE 8 HN PHE 8 -6.070 7.135 0.893 54 HA PHE 8 HA PHE 8 -3.938 5.174 1.552 55 1HB PHE 8 HB2 PHE 8 -5.774 5.380 -0.848 56 2HB PHE 8 HB1 PHE 8 -4.544 4.154 -0.631 57 HD1 PHE 8 HD2 PHE 8 -7.543 5.607 1.014 58 HD2 PHE 8 HD1 PHE 8 -5.075 2.151 0.477 59 HE1 PHE 8 HE2 PHE 8 -9.149 4.257 2.319 60 HE2 PHE 8 HE1 PHE 8 -6.678 0.788 1.790 61 HZ PHE 8 HZ PHE 8 -8.722 1.848 2.719 62 H LEU 9 HN LEU 9 -2.160 4.974 0.057 63 HA LEU 9 HA LEU 9 -1.709 7.382 -1.662 64 1HB LEU 9 HB2 LEU 9 -0.366 7.696 0.328 65 2HB LEU 9 HB1 LEU 9 0.254 6.055 0.228 66 HG LEU 9 HG LEU 9 1.456 6.566 -1.801 67 1HD1 LEU 9 HD12 LEU 9 -0.144 9.117 -1.681 68 2HD1 LEU 9 HD11 LEU 9 1.394 9.070 -2.540 69 3HD1 LEU 9 HD13 LEU 9 0.073 8.015 -3.041 70 1HD2 LEU 9 HD22 LEU 9 1.952 7.759 0.672 71 2HD2 LEU 9 HD21 LEU 9 3.112 7.551 -0.634 72 3HD2 LEU 9 HD23 LEU 9 2.202 9.054 -0.496 73 H VAL 10 HN VAL 10 -1.980 6.406 -3.651 74 HA VAL 10 HA VAL 10 -0.789 3.745 -4.130 75 HB VAL 10 HB VAL 10 -1.986 5.099 -6.437 76 1HG1 VAL 10 HG12 VAL 10 -1.496 2.614 -6.055 77 2HG1 VAL 10 HG11 VAL 10 -2.888 2.612 -4.971 78 3HG1 VAL 10 HG13 VAL 10 -3.099 3.003 -6.677 79 1HG2 VAL 10 HG22 VAL 10 -3.567 4.758 -3.872 80 2HG2 VAL 10 HG21 VAL 10 -3.357 6.236 -4.812 81 3HG2 VAL 10 HG23 VAL 10 -4.320 4.909 -5.459 82 H VAL 11 HN VAL 11 1.401 3.908 -4.449 83 HA VAL 11 HA VAL 11 2.456 6.057 -6.149 84 HB VAL 11 HB VAL 11 3.912 3.937 -4.551 85 1HG1 VAL 11 HG13 VAL 11 4.769 6.100 -6.390 86 2HG1 VAL 11 HG12 VAL 11 5.648 6.008 -4.863 87 3HG1 VAL 11 HG11 VAL 11 5.599 4.614 -5.937 88 1HG2 VAL 11 HG22 VAL 11 2.576 6.378 -3.798 89 2HG2 VAL 11 HG21 VAL 11 3.397 5.210 -2.765 90 3HG2 VAL 11 HG23 VAL 11 4.307 6.531 -3.500 91 H ASP 12 HN ASP 12 2.485 5.595 -8.313 92 HA ASP 12 HA ASP 12 3.836 3.258 -9.322 93 1HB ASP 12 HB2 ASP 12 1.579 2.328 -8.523 94 2HB ASP 12 HB1 ASP 12 0.839 3.263 -9.807 95 H ASP 13 HN ASP 13 3.735 3.227 -11.784 96 HA ASP 13 HA ASP 13 3.443 6.018 -12.796 97 1HB ASP 13 HB2 ASP 13 4.827 3.578 -13.954 98 2HB ASP 13 HB1 ASP 13 4.740 5.143 -14.762 99 H PHE 14 HN PHE 14 2.791 2.714 -13.954 100 HA PHE 14 HA PHE 14 1.281 2.072 -15.725 101 1HB PHE 14 HB2 PHE 14 -0.884 1.763 -14.629 102 2HB PHE 14 HB1 PHE 14 0.397 1.525 -13.442 103 HD1 PHE 14 HD2 PHE 14 1.082 3.466 -12.028 104 HD2 PHE 14 HD1 PHE 14 -2.542 3.479 -14.234 105 HE1 PHE 14 HE2 PHE 14 0.247 5.350 -10.633 106 HE2 PHE 14 HE1 PHE 14 -3.397 5.351 -12.889 107 HZ PHE 14 HZ PHE 14 -1.995 6.296 -11.075 108 H SER 15 HN SER 15 -1.467 3.059 -15.583 109 HA SER 15 HA SER 15 -1.818 5.769 -16.305 110 1HB SER 15 HB2 SER 15 -2.267 4.596 -18.859 111 2HB SER 15 HB1 SER 15 -1.094 5.847 -18.452 112 HG SER 15 HG SER 15 0.426 4.299 -18.094 113 H THR 16 HN THR 16 -2.596 2.623 -15.807 114 HA THR 16 HA THR 16 -5.534 3.034 -16.154 115 HB THR 16 HB THR 16 -5.176 1.425 -17.785 116 HG1 THR 16 HG1 THR 16 -5.048 0.006 -15.331 117 1HG2 THR 16 HG21 THR 16 -2.709 0.786 -16.147 118 2HG2 THR 16 HG23 THR 16 -3.209 -0.221 -17.505 119 3HG2 THR 16 HG22 THR 16 -2.786 1.469 -17.773 120 H MET 17 HN MET 17 -2.876 1.498 -14.377 121 HA MET 17 HA MET 17 -4.025 -0.138 -12.547 122 1HB MET 17 HB2 MET 17 -1.608 0.688 -12.589 123 2HB MET 17 HB1 MET 17 -2.156 2.041 -11.604 124 1HG MET 17 HG2 MET 17 -1.992 0.762 -9.769 125 2HG MET 17 HG1 MET 17 -3.207 -0.324 -10.427 126 1HE MET 17 HE3 MET 17 -1.890 -1.807 -8.735 127 2HE MET 17 HE2 MET 17 -2.530 -2.783 -10.055 128 3HE MET 17 HE1 MET 17 -0.897 -3.079 -9.462 129 NH1 ARG 18 NH1 ARG 18 -5.059 9.607 -13.161 130 NH2 ARG 18 NH2 ARG 18 -6.939 10.282 -12.104 131 H ARG 18 HN ARG 18 -3.493 3.174 -11.316 132 HA ARG 18 HA ARG 18 -5.229 3.231 -9.225 133 1HB ARG 18 HB2 ARG 18 -5.032 5.478 -9.275 134 2HB ARG 18 HB1 ARG 18 -3.996 5.191 -10.650 135 1HG ARG 18 HG2 ARG 18 -6.032 5.389 -12.139 136 2HG ARG 18 HG1 ARG 18 -6.926 5.928 -10.710 137 1HD ARG 18 HD2 ARG 18 -5.259 7.750 -10.405 138 2HD ARG 18 HD1 ARG 18 -4.474 7.248 -11.904 139 HE ARG 18 HE ARG 18 -7.246 7.683 -12.429 140 1HH1 ARG 18 HH11 ARG 18 -4.440 8.875 -13.444 141 2HH1 ARG 18 HH12 ARG 18 -4.857 10.555 -13.407 142 1HH2 ARG 18 HH21 ARG 18 -7.761 10.066 -11.577 143 2HH2 ARG 18 HH22 ARG 18 -6.737 11.229 -12.350 144 NH1 ARG 19 NH2 ARG 19 -9.782 0.659 -17.661 145 NH2 ARG 19 NH1 ARG 19 -11.122 -0.598 -16.344 146 H ARG 19 HN ARG 19 -6.230 3.197 -12.605 147 HA ARG 19 HA ARG 19 -8.901 3.964 -12.170 148 1HB ARG 19 HB2 ARG 19 -7.605 3.480 -14.402 149 2HB ARG 19 HB1 ARG 19 -8.231 1.843 -14.196 150 1HG ARG 19 HG2 ARG 19 -10.534 2.953 -13.875 151 2HG ARG 19 HG1 ARG 19 -9.787 4.408 -14.536 152 1HD ARG 19 HD2 ARG 19 -10.354 3.546 -16.558 153 2HD ARG 19 HD1 ARG 19 -8.965 2.485 -16.324 154 HE ARG 19 HE ARG 19 -11.626 1.607 -15.314 155 1HH1 ARG 19 HH21 ARG 19 -9.367 1.541 -17.883 156 2HH1 ARG 19 HH22 ARG 19 -9.588 -0.142 -18.226 157 1HH2 ARG 19 HH11 ARG 19 -11.733 -0.680 -15.557 158 2HH2 ARG 19 HH12 ARG 19 -10.926 -1.399 -16.912 159 H ILE 20 HN ILE 20 -7.492 0.682 -12.216 160 HA ILE 20 HA ILE 20 -9.912 -0.699 -11.594 161 HB ILE 20 HB ILE 20 -7.004 -1.304 -11.540 162 1HG1 ILE 20 HG12 ILE 20 -7.785 -3.273 -12.792 163 2HG1 ILE 20 HG11 ILE 20 -9.458 -2.845 -12.434 164 1HG2 ILE 20 HG22 ILE 20 -9.014 -2.804 -9.837 165 2HG2 ILE 20 HG21 ILE 20 -7.531 -3.546 -10.427 166 3HG2 ILE 20 HG23 ILE 20 -7.444 -2.157 -9.347 167 1HD1 ILE 20 HD12 ILE 20 -7.718 -0.777 -13.717 168 2HD1 ILE 20 HD11 ILE 20 -8.321 -2.098 -14.717 169 3HD1 ILE 20 HD13 ILE 20 -9.455 -1.039 -13.880 170 H VAL 21 HN VAL 21 -7.230 0.250 -9.433 171 HA VAL 21 HA VAL 21 -8.623 -0.528 -7.056 172 HB VAL 21 HB VAL 21 -6.693 1.561 -6.541 173 1HG1 VAL 21 HG11 VAL 21 -7.333 -0.312 -5.036 174 2HG1 VAL 21 HG13 VAL 21 -6.620 -1.452 -6.178 175 3HG1 VAL 21 HG12 VAL 21 -5.596 -0.284 -5.343 176 1HG2 VAL 21 HG21 VAL 21 -5.872 -0.671 -8.433 177 2HG2 VAL 21 HG23 VAL 21 -5.824 1.056 -8.774 178 3HG2 VAL 21 HG22 VAL 21 -4.744 0.369 -7.565 179 NH1 ARG 22 NH1 ARG 22 -6.988 7.890 -8.140 180 NH2 ARG 22 NH2 ARG 22 -8.514 9.537 -7.876 181 H ARG 22 HN ARG 22 -8.907 2.302 -9.032 182 HA ARG 22 HA ARG 22 -9.750 4.177 -7.033 183 1HB ARG 22 HB2 ARG 22 -9.948 3.929 -9.970 184 2HB ARG 22 HB1 ARG 22 -11.266 4.829 -9.230 185 1HG ARG 22 HG2 ARG 22 -8.400 5.408 -8.491 186 2HG ARG 22 HG1 ARG 22 -9.139 6.149 -9.912 187 1HD ARG 22 HD2 ARG 22 -10.514 7.487 -8.668 188 2HD ARG 22 HD1 ARG 22 -10.742 6.266 -7.417 189 HE ARG 22 HE ARG 22 -8.944 7.237 -6.245 190 1HH1 ARG 22 HH11 ARG 22 -6.721 6.932 -8.036 191 2HH1 ARG 22 HH12 ARG 22 -6.353 8.544 -8.551 192 1HH2 ARG 22 HH21 ARG 22 -9.415 9.840 -7.569 193 2HH2 ARG 22 HH22 ARG 22 -7.879 10.190 -8.287 194 H ASN 23 HN ASN 23 -11.700 2.103 -9.187 195 HA ASN 23 HA ASN 23 -14.203 2.640 -7.919 196 1HB ASN 23 HB2 ASN 23 -13.203 1.281 -10.140 197 2HB ASN 23 HB1 ASN 23 -13.929 0.040 -9.158 198 1HD2 ASN 23 HD22 ASN 23 -17.240 1.048 -9.871 199 2HD2 ASN 23 HD21 ASN 23 -16.225 -0.085 -9.120 200 H LEU 24 HN LEU 24 -12.047 -0.174 -7.844 201 HA LEU 24 HA LEU 24 -13.316 -1.854 -6.078 202 1HB LEU 24 HB2 LEU 24 -10.982 -2.016 -7.191 203 2HB LEU 24 HB1 LEU 24 -10.402 -1.207 -5.748 204 HG LEU 24 HG LEU 24 -12.085 -3.329 -4.857 205 1HD1 LEU 24 HD12 LEU 24 -10.167 -4.172 -7.052 206 2HD1 LEU 24 HD11 LEU 24 -10.864 -5.285 -5.877 207 3HD1 LEU 24 HD13 LEU 24 -11.911 -4.423 -7.003 208 1HD2 LEU 24 HD21 LEU 24 -9.151 -2.706 -4.754 209 2HD2 LEU 24 HD23 LEU 24 -10.304 -2.916 -3.440 210 3HD2 LEU 24 HD22 LEU 24 -9.677 -4.320 -4.297 211 H LEU 25 HN LEU 25 -11.052 0.736 -5.019 212 HA LEU 25 HA LEU 25 -11.598 0.472 -2.233 213 1HB LEU 25 HB2 LEU 25 -10.573 2.709 -3.963 214 2HB LEU 25 HB1 LEU 25 -10.958 3.034 -2.277 215 HG LEU 25 HG LEU 25 -9.116 0.803 -3.198 216 1HD1 LEU 25 HD11 LEU 25 -8.173 3.008 -3.756 217 2HD1 LEU 25 HD13 LEU 25 -8.436 3.546 -2.097 218 3HD1 LEU 25 HD12 LEU 25 -7.277 2.259 -2.435 219 1HD2 LEU 25 HD22 LEU 25 -10.181 1.704 -0.583 220 2HD2 LEU 25 HD21 LEU 25 -9.553 0.131 -1.061 221 3HD2 LEU 25 HD23 LEU 25 -8.442 1.425 -0.619 222 H LYS 26 HN LYS 26 -12.994 2.764 -4.614 223 HA LYS 26 HA LYS 26 -14.850 4.001 -2.942 224 1HB LYS 26 HB2 LYS 26 -15.425 4.992 -4.884 225 2HB LYS 26 HB1 LYS 26 -14.360 3.869 -5.721 226 1HG LYS 26 HG2 LYS 26 -16.246 2.249 -5.910 227 2HG LYS 26 HG1 LYS 26 -17.309 3.424 -5.124 228 1HD LYS 26 HD2 LYS 26 -15.863 4.649 -7.321 229 2HD LYS 26 HD1 LYS 26 -16.759 3.233 -7.868 230 1HE LYS 26 HE2 LYS 26 -17.970 5.426 -6.166 231 2HE LYS 26 HE1 LYS 26 -18.088 5.378 -7.925 232 1HZ LYS 26 HZ3 LYS 26 -18.809 2.927 -6.558 233 2HZ LYS 26 HZ2 LYS 26 -19.852 4.239 -6.284 234 3HZ LYS 26 HZ1 LYS 26 -19.558 3.701 -7.868 235 H GLU 27 HN GLU 27 -14.940 0.802 -4.386 236 HA GLU 27 HA GLU 27 -17.674 0.242 -3.748 237 1HB GLU 27 HB2 GLU 27 -15.873 -1.006 -5.301 238 2HB GLU 27 HB1 GLU 27 -15.692 -1.977 -3.838 239 1HG GLU 27 HG2 GLU 27 -17.418 -3.111 -4.916 240 2HG GLU 27 HG1 GLU 27 -18.329 -2.004 -3.888 241 H LEU 28 HN LEU 28 -14.597 -0.193 -2.083 242 HA LEU 28 HA LEU 28 -15.766 -1.642 0.152 243 1HB LEU 28 HB2 LEU 28 -13.112 -0.740 -0.670 244 2HB LEU 28 HB1 LEU 28 -13.386 -0.505 1.057 245 HG LEU 28 HG LEU 28 -14.104 -2.861 1.261 246 1HD1 LEU 28 HD11 LEU 28 -14.145 -2.632 -1.629 247 2HD1 LEU 28 HD13 LEU 28 -13.139 -3.992 -1.127 248 3HD1 LEU 28 HD12 LEU 28 -14.821 -3.899 -0.606 249 1HD2 LEU 28 HD23 LEU 28 -11.470 -1.907 0.657 250 2HD2 LEU 28 HD22 LEU 28 -11.932 -3.254 1.697 251 3HD2 LEU 28 HD21 LEU 28 -11.644 -3.526 -0.021 252 H GLY 29 HN GLY 29 -15.781 1.604 -0.816 253 1HA GLY 29 HA2 GLY 29 -17.068 3.272 0.319 254 2HA GLY 29 HA1 GLY 29 -16.822 2.382 1.808 255 H PHE 30 HN PHE 30 -14.959 4.227 -0.620 256 HA PHE 30 HA PHE 30 -13.554 5.566 1.613 257 1HB PHE 30 HB2 PHE 30 -12.180 3.797 -0.425 258 2HB PHE 30 HB1 PHE 30 -11.326 5.121 0.358 259 HD1 PHE 30 HD2 PHE 30 -11.596 5.233 2.983 260 HD2 PHE 30 HD1 PHE 30 -12.192 1.705 0.612 261 HE1 PHE 30 HE2 PHE 30 -11.212 3.819 4.982 262 HE2 PHE 30 HE1 PHE 30 -11.814 0.293 2.613 263 HZ PHE 30 HZ PHE 30 -11.324 1.351 4.801 264 H ASN 31 HN ASN 31 -12.741 7.626 0.988 265 HA ASN 31 HA ASN 31 -12.863 8.377 -1.868 266 1HB ASN 31 HB2 ASN 31 -15.164 8.718 -0.685 267 2HB ASN 31 HB1 ASN 31 -14.370 10.085 0.100 268 1HD2 ASN 31 HD22 ASN 31 -14.879 10.222 -3.987 269 2HD2 ASN 31 HD21 ASN 31 -14.752 8.713 -3.222 270 H ASN 32 HN ASN 32 -10.494 8.311 -0.818 271 HA ASN 32 HA ASN 32 -9.564 11.021 -0.744 272 1HB ASN 32 HB2 ASN 32 -10.620 10.356 1.688 273 2HB ASN 32 HB1 ASN 32 -8.950 9.838 1.904 274 1HD2 ASN 32 HD22 ASN 32 -9.461 13.808 0.929 275 2HD2 ASN 32 HD21 ASN 32 -10.412 12.639 0.146 276 H VAL 33 HN VAL 33 -7.916 10.358 -2.134 277 HA VAL 33 HA VAL 33 -5.792 8.701 -0.910 278 HB VAL 33 HB VAL 33 -7.001 6.972 -1.991 279 1HG1 VAL 33 HG11 VAL 33 -7.635 9.140 -3.892 280 2HG1 VAL 33 HG13 VAL 33 -7.421 7.548 -4.620 281 3HG1 VAL 33 HG12 VAL 33 -8.628 7.785 -3.354 282 1HG2 VAL 33 HG22 VAL 33 -4.494 7.338 -2.676 283 2HG2 VAL 33 HG21 VAL 33 -5.463 6.166 -3.565 284 3HG2 VAL 33 HG23 VAL 33 -5.171 7.766 -4.244 285 H GLU 34 HN GLU 34 -3.707 8.991 -1.979 286 HA GLU 34 HA GLU 34 -3.660 11.250 -3.952 287 1HB GLU 34 HB2 GLU 34 -1.913 10.674 -1.572 288 2HB GLU 34 HB1 GLU 34 -1.292 11.605 -2.932 289 1HG GLU 34 HG2 GLU 34 -3.971 12.403 -1.931 290 2HG GLU 34 HG1 GLU 34 -2.615 12.750 -0.862 291 H GLU 35 HN GLU 35 -1.097 11.090 -4.838 292 HA GLU 35 HA GLU 35 -0.546 8.249 -5.478 293 1HB GLU 35 HB2 GLU 35 -1.179 10.382 -7.536 294 2HB GLU 35 HB1 GLU 35 -0.385 8.863 -7.935 295 1HG GLU 35 HG2 GLU 35 -2.531 7.919 -6.560 296 2HG GLU 35 HG1 GLU 35 -3.222 9.389 -7.239 297 H ALA 36 HN ALA 36 1.520 7.952 -6.536 298 HA ALA 36 HA ALA 36 3.386 10.234 -6.599 299 1HB ALA 36 HB3 ALA 36 3.235 8.538 -4.324 300 2HB ALA 36 HB2 ALA 36 4.704 8.108 -5.193 301 3HB ALA 36 HB1 ALA 36 4.446 9.768 -4.670 302 H GLU 37 HN GLU 37 5.732 8.710 -6.888 303 HA GLU 37 HA GLU 37 5.086 6.755 -9.045 304 1HB GLU 37 HB2 GLU 37 7.074 9.000 -9.432 305 2HB GLU 37 HB1 GLU 37 6.533 7.830 -10.636 306 1HG GLU 37 HG2 GLU 37 4.178 8.728 -10.276 307 2HG GLU 37 HG1 GLU 37 4.913 10.039 -9.353 308 H ASP 38 HN ASP 38 6.931 7.507 -6.330 309 HA ASP 38 HA ASP 38 8.440 5.079 -6.511 310 1HB ASP 38 HB2 ASP 38 10.680 6.703 -6.464 311 2HB ASP 38 HB1 ASP 38 10.131 5.766 -7.850 312 H GLY 39 HN GLY 39 10.547 5.523 -4.849 313 1HA GLY 39 HA2 GLY 39 9.243 5.976 -2.316 314 2HA GLY 39 HA1 GLY 39 10.969 5.700 -2.543 315 H VAL 40 HN VAL 40 11.630 7.864 -4.188 316 HA VAL 40 HA VAL 40 12.007 9.956 -2.329 317 HB VAL 40 HB VAL 40 13.244 9.665 -4.511 318 1HG1 VAL 40 HG11 VAL 40 11.010 9.371 -5.778 319 2HG1 VAL 40 HG13 VAL 40 10.916 11.131 -5.752 320 3HG1 VAL 40 HG12 VAL 40 12.265 10.333 -6.559 321 1HG2 VAL 40 HG23 VAL 40 13.260 11.786 -3.133 322 2HG2 VAL 40 HG22 VAL 40 13.576 12.035 -4.850 323 3HG2 VAL 40 HG21 VAL 40 11.985 12.404 -4.184 324 H ASP 41 HN ASP 41 9.347 9.276 -4.514 325 HA ASP 41 HA ASP 41 8.043 11.854 -3.998 326 1HB ASP 41 HB2 ASP 41 7.906 10.371 -6.139 327 2HB ASP 41 HB1 ASP 41 6.704 9.460 -5.232 328 H ALA 42 HN ALA 42 7.320 8.406 -3.257 329 HA ALA 42 HA ALA 42 5.046 8.874 -1.650 330 1HB ALA 42 HB1 ALA 42 6.375 6.646 -2.385 331 2HB ALA 42 HB3 ALA 42 6.960 6.790 -0.729 332 3HB ALA 42 HB2 ALA 42 5.231 6.663 -1.044 333 H LEU 43 HN LEU 43 8.483 9.122 -0.883 334 HA LEU 43 HA LEU 43 8.144 9.471 1.953 335 1HB LEU 43 HB2 LEU 43 10.319 8.873 0.887 336 2HB LEU 43 HB1 LEU 43 10.381 10.479 0.166 337 HG LEU 43 HG LEU 43 10.331 11.487 2.439 338 1HD1 LEU 43 HD12 LEU 43 10.040 8.607 3.189 339 2HD1 LEU 43 HD11 LEU 43 10.988 9.645 4.254 340 3HD1 LEU 43 HD13 LEU 43 9.303 10.034 3.913 341 1HD2 LEU 43 HD22 LEU 43 12.488 9.428 1.899 342 2HD2 LEU 43 HD21 LEU 43 12.500 11.127 1.430 343 3HD2 LEU 43 HD23 LEU 43 12.616 10.682 3.133 344 H ASN 44 HN ASN 44 8.845 11.868 -0.622 345 HA ASN 44 HA ASN 44 8.495 14.166 1.002 346 1HB ASN 44 HB2 ASN 44 8.609 13.575 -1.874 347 2HB ASN 44 HB1 ASN 44 7.618 14.981 -1.485 348 1HD2 ASN 44 HD22 ASN 44 11.632 15.265 -1.230 349 2HD2 ASN 44 HD21 ASN 44 10.860 13.887 -1.853 350 H LYS 45 HN LYS 45 6.136 12.066 -0.524 351 HA LYS 45 HA LYS 45 3.949 13.970 0.026 352 1HB LYS 45 HB2 LYS 45 4.014 11.208 -1.211 353 2HB LYS 45 HB1 LYS 45 2.523 12.104 -0.924 354 1HG LYS 45 HG2 LYS 45 4.737 13.516 -2.345 355 2HG LYS 45 HG1 LYS 45 3.846 12.293 -3.247 356 1HD LYS 45 HD2 LYS 45 2.534 14.576 -1.736 357 2HD LYS 45 HD1 LYS 45 2.897 14.624 -3.458 358 1HE LYS 45 HE2 LYS 45 1.555 12.244 -3.281 359 2HE LYS 45 HE1 LYS 45 0.754 13.180 -2.022 360 1HZ LYS 45 HZ1 LYS 45 0.703 15.008 -3.818 361 2HZ LYS 45 HZ3 LYS 45 0.936 13.729 -4.906 362 3HZ LYS 45 HZ2 LYS 45 -0.429 13.743 -3.894 363 H LEU 46 HN LEU 46 5.420 11.156 1.483 364 HA LEU 46 HA LEU 46 3.232 10.307 3.096 365 1HB LEU 46 HB2 LEU 46 6.091 9.828 2.977 366 2HB LEU 46 HB1 LEU 46 5.570 9.986 4.643 367 HG LEU 46 HG LEU 46 5.491 7.645 3.940 368 1HD1 LEU 46 HD12 LEU 46 3.290 9.103 5.029 369 2HD1 LEU 46 HD11 LEU 46 2.653 7.808 4.015 370 3HD1 LEU 46 HD13 LEU 46 3.762 7.434 5.328 371 1HD2 LEU 46 HD23 LEU 46 3.884 8.742 1.645 372 2HD2 LEU 46 HD22 LEU 46 5.130 7.502 1.655 373 3HD2 LEU 46 HD21 LEU 46 3.518 7.130 2.252 374 H GLN 47 HN GLN 47 5.198 13.125 3.234 375 HA GLN 47 HA GLN 47 4.534 13.685 6.053 376 1HB GLN 47 HB2 GLN 47 5.818 15.543 4.033 377 2HB GLN 47 HB1 GLN 47 5.882 15.663 5.791 378 1HG GLN 47 HG2 GLN 47 6.875 13.167 5.474 379 2HG GLN 47 HG1 GLN 47 7.412 13.896 3.959 380 1HE2 GLN 47 HE22 GLN 47 10.148 15.315 5.657 381 2HE2 GLN 47 HE21 GLN 47 9.587 14.426 4.324 382 H ALA 48 HN ALA 48 3.038 14.000 3.056 383 HA ALA 48 HA ALA 48 1.787 16.462 2.987 384 1HB ALA 48 HB1 ALA 48 0.559 13.745 2.449 385 2HB ALA 48 HB3 ALA 48 -0.177 15.277 1.978 386 3HB ALA 48 HB2 ALA 48 1.365 14.788 1.276 387 H GLY 49 HN GLY 49 0.059 13.662 4.400 388 1HA GLY 49 HA2 GLY 49 -0.660 15.340 6.742 389 2HA GLY 49 HA1 GLY 49 -1.980 14.729 5.745 390 H GLY 50 HN GLY 50 0.636 12.586 5.755 391 1HA GLY 50 HA2 GLY 50 1.107 10.653 7.056 392 2HA GLY 50 HA1 GLY 50 -0.132 11.162 8.205 393 OH TYR 51 OH TYR 51 -0.463 12.036 -0.319 394 H TYR 51 HN TYR 51 0.422 9.513 5.149 395 HA TYR 51 HA TYR 51 -2.319 8.939 4.553 396 1HB TYR 51 HB2 TYR 51 0.270 7.562 3.808 397 2HB TYR 51 HB1 TYR 51 -1.291 7.064 3.182 398 HD1 TYR 51 HD1 TYR 51 -2.793 9.109 2.285 399 HD2 TYR 51 HD2 TYR 51 1.466 9.069 2.525 400 HE1 TYR 51 HE1 TYR 51 -2.688 10.928 0.608 401 HE2 TYR 51 HE2 TYR 51 1.599 10.880 0.848 402 HH TYR 51 HH TYR 51 0.444 12.348 -0.347 403 H GLY 52 HN GLY 52 -3.584 7.906 6.015 404 1HA GLY 52 HA2 GLY 52 -2.663 6.123 8.037 405 2HA GLY 52 HA1 GLY 52 -4.324 6.250 7.493 406 H PHE 53 HN PHE 53 -2.615 5.694 4.759 407 HA PHE 53 HA PHE 53 -2.175 2.817 5.008 408 1HB PHE 53 HB2 PHE 53 -4.732 3.353 4.930 409 2HB PHE 53 HB1 PHE 53 -4.448 3.624 3.219 410 HD1 PHE 53 HD1 PHE 53 -3.337 1.756 1.898 411 HD2 PHE 53 HD2 PHE 53 -4.981 1.180 5.803 412 HE1 PHE 53 HE1 PHE 53 -3.568 -0.641 1.439 413 HE2 PHE 53 HE2 PHE 53 -5.208 -1.229 5.360 414 HZ PHE 53 HZ PHE 53 -4.486 -2.165 3.173 415 H VAL 54 HN VAL 54 -1.101 2.001 3.109 416 HA VAL 54 HA VAL 54 -0.757 3.921 0.853 417 HB VAL 54 HB VAL 54 1.554 2.564 2.266 418 1HG1 VAL 54 HG11 VAL 54 1.267 3.788 -0.303 419 2HG1 VAL 54 HG13 VAL 54 2.279 4.834 0.691 420 3HG1 VAL 54 HG12 VAL 54 2.730 3.147 0.440 421 1HG2 VAL 54 HG21 VAL 54 0.402 5.352 2.465 422 2HG2 VAL 54 HG23 VAL 54 0.781 4.231 3.773 423 3HG2 VAL 54 HG22 VAL 54 2.083 5.010 2.876 424 H ILE 55 HN ILE 55 -0.334 2.970 -1.117 425 HA ILE 55 HA ILE 55 -0.137 -0.013 -1.204 426 HB ILE 55 HB ILE 55 -1.733 1.671 -3.155 427 1HG1 ILE 55 HG12 ILE 55 -2.734 0.016 -0.814 428 2HG1 ILE 55 HG11 ILE 55 -2.746 1.778 -0.893 429 1HG2 ILE 55 HG22 ILE 55 -0.775 -0.631 -3.785 430 2HG2 ILE 55 HG21 ILE 55 -1.904 -1.296 -2.603 431 3HG2 ILE 55 HG23 ILE 55 -2.511 -0.411 -4.002 432 1HD1 ILE 55 HD12 ILE 55 -4.156 1.623 -2.959 433 2HD1 ILE 55 HD11 ILE 55 -4.239 -0.123 -2.724 434 3HD1 ILE 55 HD13 ILE 55 -4.947 0.962 -1.529 435 H SER 56 HN SER 56 1.701 -0.567 -2.287 436 HA SER 56 HA SER 56 2.568 1.105 -4.589 437 1HB SER 56 HB2 SER 56 4.837 1.283 -3.751 438 2HB SER 56 HB1 SER 56 3.742 1.921 -2.527 439 HG SER 56 HG SER 56 3.836 -0.184 -1.546 440 H ASP 57 HN ASP 57 3.590 -0.112 -6.192 441 HA ASP 57 HA ASP 57 3.305 -2.989 -6.067 442 1HB ASP 57 HB2 ASP 57 3.607 -1.153 -8.101 443 2HB ASP 57 HB1 ASP 57 5.194 -1.925 -8.069 444 CH2 TRP 58 CH2 TRP 58 10.025 -7.214 -1.063 445 H TRP 58 HN TRP 58 5.284 -4.447 -6.445 446 HA TRP 58 HA TRP 58 7.206 -3.994 -4.330 447 1HB TRP 58 HB2 TRP 58 6.466 -6.257 -5.065 448 2HB TRP 58 HB1 TRP 58 7.283 -6.005 -6.604 449 HD1 TRP 58 HD1 TRP 58 9.838 -6.373 -6.702 450 HE1 TRP 58 HE1 TRP 58 11.605 -7.152 -4.995 451 HE3 TRP 58 HE3 TRP 58 7.086 -6.124 -2.407 452 HZ2 TRP 58 HZ2 TRP 58 11.822 -7.608 -2.177 453 HZ3 TRP 58 HZ3 TRP 58 8.099 -6.736 -0.229 454 HH2 TRP 58 HH2 TRP 58 10.458 -7.484 -0.111 455 H ASN 59 HN ASN 59 8.311 -4.896 -7.570 456 HA ASN 59 HA ASN 59 10.628 -3.208 -7.354 457 1HB ASN 59 HB2 ASN 59 9.944 -5.318 -8.947 458 2HB ASN 59 HB1 ASN 59 9.759 -3.975 -10.074 459 1HD2 ASN 59 HD22 ASN 59 13.420 -5.276 -9.512 460 2HD2 ASN 59 HD21 ASN 59 11.993 -6.187 -9.379 461 H MET 60 HN MET 60 10.868 -1.073 -7.919 462 HA MET 60 HA MET 60 9.319 0.206 -9.968 463 1HB MET 60 HB2 MET 60 8.117 0.114 -7.343 464 2HB MET 60 HB1 MET 60 8.482 1.785 -7.785 465 1HG MET 60 HG2 MET 60 7.100 1.709 -9.688 466 2HG MET 60 HG1 MET 60 7.081 -0.053 -9.727 467 1HE MET 60 HE3 MET 60 6.478 2.907 -7.352 468 2HE MET 60 HE2 MET 60 5.213 2.338 -6.270 469 3HE MET 60 HE1 MET 60 6.810 1.619 -6.185 470 HA PRO 61 HA PRO 61 11.957 3.557 -7.717 471 1HB PRO 61 HB2 PRO 61 13.681 2.280 -5.803 472 2HB PRO 61 HB1 PRO 61 12.457 3.521 -5.503 473 1HG PRO 61 HG2 PRO 61 12.339 0.738 -4.797 474 2HG PRO 61 HG1 PRO 61 11.111 1.979 -4.521 475 1HD PRO 61 HD2 PRO 61 11.049 -0.183 -6.422 476 2HD PRO 61 HD1 PRO 61 9.816 1.047 -6.111 477 H ASN 62 HN ASN 62 14.715 3.366 -7.217 478 HA ASN 62 HA ASN 62 15.712 2.480 -9.770 479 1HB ASN 62 HB2 ASN 62 17.929 3.026 -8.853 480 2HB ASN 62 HB1 ASN 62 16.775 4.298 -8.451 481 1HD2 ASN 62 HD22 ASN 62 16.552 3.143 -4.965 482 2HD2 ASN 62 HD21 ASN 62 15.494 3.566 -6.223 483 H MET 63 HN MET 63 14.918 0.804 -6.946 484 HA MET 63 HA MET 63 16.362 -1.602 -7.938 485 1HB MET 63 HB2 MET 63 16.455 -0.498 -5.119 486 2HB MET 63 HB1 MET 63 16.855 -2.173 -5.499 487 1HG MET 63 HG2 MET 63 18.187 0.205 -6.821 488 2HG MET 63 HG1 MET 63 18.848 -0.625 -5.414 489 1HE MET 63 HE2 MET 63 20.337 -0.066 -7.738 490 2HE MET 63 HE1 MET 63 20.850 -1.424 -8.737 491 3HE MET 63 HE3 MET 63 19.419 -0.484 -9.182 492 H ASP 64 HN ASP 64 14.916 -1.677 -4.808 493 HA ASP 64 HA ASP 64 12.435 -2.901 -5.953 494 1HB ASP 64 HB2 ASP 64 14.429 -4.013 -4.128 495 2HB ASP 64 HB1 ASP 64 12.790 -4.106 -3.485 496 H GLY 65 HN GLY 65 10.502 -2.464 -4.812 497 1HA GLY 65 HA2 GLY 65 10.240 0.030 -3.574 498 2HA GLY 65 HA1 GLY 65 9.077 -1.262 -3.360 499 H LEU 66 HN LEU 66 11.829 -2.639 -2.294 500 HA LEU 66 HA LEU 66 11.126 -2.717 0.410 501 1HB LEU 66 HB2 LEU 66 13.172 -3.792 -1.091 502 2HB LEU 66 HB1 LEU 66 14.043 -2.693 -0.027 503 HG LEU 66 HG LEU 66 13.904 -4.850 1.064 504 1HD1 LEU 66 HD12 LEU 66 13.251 -2.547 2.275 505 2HD1 LEU 66 HD11 LEU 66 11.740 -3.421 2.532 506 3HD1 LEU 66 HD13 LEU 66 13.258 -4.087 3.128 507 1HD2 LEU 66 HD23 LEU 66 11.405 -5.024 -0.225 508 2HD2 LEU 66 HD22 LEU 66 12.139 -6.220 0.845 509 3HD2 LEU 66 HD21 LEU 66 11.045 -5.004 1.502 510 H GLU 67 HN GLU 67 13.974 -0.828 -0.681 511 HA GLU 67 HA GLU 67 14.304 0.751 1.570 512 1HB GLU 67 HB2 GLU 67 15.819 0.858 -0.361 513 2HB GLU 67 HB1 GLU 67 14.569 1.665 -1.310 514 1HG GLU 67 HG2 GLU 67 14.631 3.607 0.076 515 2HG GLU 67 HG1 GLU 67 15.583 2.781 1.311 516 H LEU 68 HN LEU 68 12.069 1.405 -1.126 517 HA LEU 68 HA LEU 68 11.091 3.904 -0.234 518 1HB LEU 68 HB2 LEU 68 10.221 3.506 -2.300 519 2HB LEU 68 HB1 LEU 68 10.232 1.771 -2.067 520 HG LEU 68 HG LEU 68 8.128 1.891 -0.801 521 1HD1 LEU 68 HD12 LEU 68 8.857 4.620 -0.472 522 2HD1 LEU 68 HD11 LEU 68 7.392 4.607 -1.446 523 3HD1 LEU 68 HD13 LEU 68 7.406 3.821 0.129 524 1HD2 LEU 68 HD22 LEU 68 8.283 1.909 -3.393 525 2HD2 LEU 68 HD21 LEU 68 6.729 2.289 -2.651 526 3HD2 LEU 68 HD23 LEU 68 7.754 3.587 -3.265 527 H LEU 69 HN LEU 69 10.302 0.636 0.789 528 HA LEU 69 HA LEU 69 8.140 1.603 2.547 529 1HB LEU 69 HB2 LEU 69 7.460 -0.446 1.814 530 2HB LEU 69 HB1 LEU 69 9.099 -0.989 1.502 531 HG LEU 69 HG LEU 69 9.401 -1.434 3.923 532 1HD1 LEU 69 HD11 LEU 69 7.288 0.297 4.296 533 2HD1 LEU 69 HD13 LEU 69 6.506 -1.270 4.457 534 3HD1 LEU 69 HD12 LEU 69 7.859 -0.849 5.504 535 1HD2 LEU 69 HD23 LEU 69 8.375 -3.085 2.242 536 2HD2 LEU 69 HD22 LEU 69 8.140 -3.414 3.956 537 3HD2 LEU 69 HD21 LEU 69 6.837 -2.700 3.012 538 H LYS 70 HN LYS 70 11.443 0.370 2.790 539 HA LYS 70 HA LYS 70 11.577 0.122 5.624 540 1HB LYS 70 HB2 LYS 70 13.298 -0.444 3.629 541 2HB LYS 70 HB1 LYS 70 13.985 1.090 4.163 542 1HG LYS 70 HG2 LYS 70 14.077 0.238 6.482 543 2HG LYS 70 HG1 LYS 70 13.417 -1.305 5.935 544 1HD LYS 70 HD2 LYS 70 15.357 -1.631 4.461 545 2HD LYS 70 HD1 LYS 70 16.015 -0.075 4.966 546 1HE LYS 70 HE2 LYS 70 15.463 -1.445 7.356 547 2HE LYS 70 HE1 LYS 70 16.194 -2.647 6.293 548 1HZ LYS 70 HZ3 LYS 70 17.591 -0.235 6.012 549 2HZ LYS 70 HZ2 LYS 70 17.454 -0.572 7.672 550 3HZ LYS 70 HZ1 LYS 70 18.155 -1.712 6.626 551 H THR 71 HN THR 71 12.394 2.860 3.478 552 HA THR 71 HA THR 71 13.293 4.707 5.362 553 HB THR 71 HB THR 71 12.075 6.437 3.865 554 HG1 THR 71 HG1 THR 71 10.492 5.147 3.019 555 1HG2 THR 71 HG23 THR 71 14.160 4.454 3.018 556 2HG2 THR 71 HG22 THR 71 13.596 5.659 1.861 557 3HG2 THR 71 HG21 THR 71 14.335 6.171 3.377 558 H ILE 72 HN ILE 72 9.948 3.767 4.639 559 HA ILE 72 HA ILE 72 8.692 5.689 6.360 560 HB ILE 72 HB ILE 72 7.702 2.906 5.667 561 1HG1 ILE 72 HG12 ILE 72 7.245 5.510 4.175 562 2HG1 ILE 72 HG11 ILE 72 8.387 4.267 3.664 563 1HG2 ILE 72 HG22 ILE 72 6.648 4.937 7.313 564 2HG2 ILE 72 HG21 ILE 72 5.728 5.019 5.811 565 3HG2 ILE 72 HG23 ILE 72 5.803 3.508 6.718 566 1HD1 ILE 72 HD13 ILE 72 6.409 2.635 3.738 567 2HD1 ILE 72 HD12 ILE 72 5.377 4.059 3.858 568 3HD1 ILE 72 HD11 ILE 72 6.393 3.825 2.437 569 NH1 ARG 73 NH1 ARG 73 13.984 -2.003 10.870 570 NH2 ARG 73 NH2 ARG 73 13.325 -3.082 8.996 571 H ARG 73 HN ARG 73 9.778 2.336 6.889 572 HA ARG 73 HA ARG 73 8.914 2.182 9.623 573 1HB ARG 73 HB2 ARG 73 9.497 0.185 8.295 574 2HB ARG 73 HB1 ARG 73 11.177 0.717 8.230 575 1HG ARG 73 HG2 ARG 73 10.096 0.653 10.957 576 2HG ARG 73 HG1 ARG 73 10.101 -0.928 10.176 577 1HD ARG 73 HD2 ARG 73 12.497 0.926 10.314 578 2HD ARG 73 HD1 ARG 73 12.230 -0.449 11.387 579 HE ARG 73 HE ARG 73 12.521 -0.769 8.424 580 1HH1 ARG 73 HH11 ARG 73 13.979 -1.186 11.447 581 2HH1 ARG 73 HH12 ARG 73 14.502 -2.811 11.152 582 1HH2 ARG 73 HH21 ARG 73 12.815 -3.092 8.138 583 2HH2 ARG 73 HH22 ARG 73 13.843 -3.889 9.281 584 H ALA 74 HN ALA 74 11.756 3.539 8.088 585 HA ALA 74 HA ALA 74 13.628 3.632 10.134 586 1HB ALA 74 HB1 ALA 74 13.782 4.676 7.803 587 2HB ALA 74 HB3 ALA 74 12.947 6.073 8.485 588 3HB ALA 74 HB2 ALA 74 14.524 5.595 9.114 589 H ASP 75 HN ASP 75 10.587 5.370 9.941 590 HA ASP 75 HA ASP 75 11.104 7.309 11.982 591 1HB ASP 75 HB2 ASP 75 8.837 6.389 10.439 592 2HB ASP 75 HB1 ASP 75 8.370 6.606 12.125 593 H GLY 76 HN GLY 76 9.217 6.974 13.958 594 1HA GLY 76 HA2 GLY 76 9.720 4.318 15.190 595 2HA GLY 76 HA1 GLY 76 10.238 5.752 16.077 596 H ALA 77 HN ALA 77 7.975 7.376 15.127 597 HA ALA 77 HA ALA 77 5.966 6.343 17.042 598 1HB ALA 77 HB1 ALA 77 6.758 8.740 17.103 599 2HB ALA 77 HB3 ALA 77 5.971 8.977 15.543 600 3HB ALA 77 HB2 ALA 77 5.010 8.562 16.962 601 H MET 78 HN MET 78 5.939 7.711 13.724 602 HA MET 78 HA MET 78 3.337 6.378 13.249 603 1HB MET 78 HB2 MET 78 3.441 7.616 11.061 604 2HB MET 78 HB1 MET 78 3.505 8.669 12.475 605 1HG MET 78 HG2 MET 78 5.527 9.450 11.870 606 2HG MET 78 HG1 MET 78 6.171 7.812 11.758 607 1HE MET 78 HE1 MET 78 3.659 10.115 10.333 608 2HE MET 78 HE3 MET 78 5.004 10.958 9.550 609 3HE MET 78 HE2 MET 78 3.823 10.083 8.578 610 H SER 79 HN SER 79 6.194 5.101 13.369 611 HA SER 79 HA SER 79 6.557 4.039 10.676 612 1HB SER 79 HB2 SER 79 8.150 2.454 11.922 613 2HB SER 79 HB1 SER 79 8.536 4.171 11.986 614 HG SER 79 HG SER 79 8.276 4.080 14.061 615 H ALA 80 HN ALA 80 3.939 3.561 11.285 616 HA ALA 80 HA ALA 80 3.897 0.609 11.373 617 1HB ALA 80 HB2 ALA 80 3.532 1.721 13.741 618 2HB ALA 80 HB1 ALA 80 1.915 2.041 13.112 619 3HB ALA 80 HB3 ALA 80 2.504 0.383 13.226 620 H LEU 81 HN LEU 81 3.185 3.125 9.624 621 HA LEU 81 HA LEU 81 0.375 3.041 9.201 622 1HB LEU 81 HB2 LEU 81 2.721 3.928 7.554 623 2HB LEU 81 HB1 LEU 81 1.114 3.907 6.841 624 HG LEU 81 HG LEU 81 1.821 5.337 9.424 625 1HD1 LEU 81 HD12 LEU 81 1.498 6.374 6.595 626 2HD1 LEU 81 HD11 LEU 81 1.566 7.403 8.024 627 3HD1 LEU 81 HD13 LEU 81 2.960 6.420 7.578 628 1HD2 LEU 81 HD21 LEU 81 -0.691 4.882 7.894 629 2HD2 LEU 81 HD23 LEU 81 -0.461 5.186 9.615 630 3HD2 LEU 81 HD22 LEU 81 -0.425 6.526 8.472 631 HA PRO 82 HA PRO 82 0.285 -1.075 7.345 632 1HB PRO 82 HB2 PRO 82 -2.182 -0.541 5.981 633 2HB PRO 82 HB1 PRO 82 -1.938 -1.508 7.432 634 1HG PRO 82 HG2 PRO 82 -3.142 1.105 7.241 635 2HG PRO 82 HG1 PRO 82 -2.921 0.116 8.689 636 1HD PRO 82 HD2 PRO 82 -1.511 2.509 7.980 637 2HD PRO 82 HD1 PRO 82 -1.244 1.465 9.394 638 H VAL 83 HN VAL 83 0.935 -1.861 5.366 639 HA VAL 83 HA VAL 83 0.737 -0.052 2.987 640 HB VAL 83 HB VAL 83 3.101 -1.642 3.983 641 1HG1 VAL 83 HG11 VAL 83 2.298 -0.989 1.136 642 2HG1 VAL 83 HG13 VAL 83 3.998 -1.106 1.578 643 3HG1 VAL 83 HG12 VAL 83 2.945 -2.502 1.767 644 1HG2 VAL 83 HG22 VAL 83 2.516 0.998 4.102 645 2HG2 VAL 83 HG21 VAL 83 4.165 0.389 3.953 646 3HG2 VAL 83 HG23 VAL 83 3.295 0.937 2.520 647 H LEU 84 HN LEU 84 -0.496 -1.063 1.490 648 HA LEU 84 HA LEU 84 -0.561 -4.014 1.601 649 1HB LEU 84 HB2 LEU 84 -2.743 -2.795 1.720 650 2HB LEU 84 HB1 LEU 84 -2.420 -2.158 0.107 651 HG LEU 84 HG LEU 84 -2.320 -4.468 -0.779 652 1HD1 LEU 84 HD13 LEU 84 -2.627 -5.097 2.127 653 2HD1 LEU 84 HD12 LEU 84 -3.437 -6.154 0.972 654 3HD1 LEU 84 HD11 LEU 84 -1.690 -5.936 0.891 655 1HD2 LEU 84 HD22 LEU 84 -4.674 -3.228 0.475 656 2HD2 LEU 84 HD21 LEU 84 -4.480 -3.881 -1.149 657 3HD2 LEU 84 HD23 LEU 84 -4.849 -4.960 0.197 658 H MET 85 HN MET 85 1.643 -3.877 0.615 659 HA MET 85 HA MET 85 2.249 -2.835 -1.886 660 1HB MET 85 HB2 MET 85 3.267 -5.011 -0.225 661 2HB MET 85 HB1 MET 85 3.436 -5.365 -1.945 662 1HG MET 85 HG2 MET 85 4.681 -3.356 -2.330 663 2HG MET 85 HG1 MET 85 4.288 -2.728 -0.729 664 1HE MET 85 HE1 MET 85 6.709 -2.167 -0.952 665 2HE MET 85 HE3 MET 85 8.035 -3.215 -0.429 666 3HE MET 85 HE2 MET 85 7.469 -3.270 -2.097 667 H VAL 86 HN VAL 86 2.382 -4.066 -4.016 668 HA VAL 86 HA VAL 86 0.190 -6.049 -4.335 669 HB VAL 86 HB VAL 86 0.388 -3.464 -5.903 670 1HG1 VAL 86 HG12 VAL 86 -1.563 -5.772 -5.983 671 2HG1 VAL 86 HG11 VAL 86 -1.811 -4.232 -6.807 672 3HG1 VAL 86 HG13 VAL 86 -0.463 -5.270 -7.269 673 1HG2 VAL 86 HG21 VAL 86 -1.463 -4.406 -3.698 674 2HG2 VAL 86 HG23 VAL 86 -0.463 -2.953 -3.721 675 3HG2 VAL 86 HG22 VAL 86 -1.871 -3.072 -4.776 676 H THR 87 HN THR 87 0.979 -7.716 -5.560 677 HA THR 87 HA THR 87 2.613 -7.046 -7.935 678 HB THR 87 HB THR 87 4.483 -7.346 -6.599 679 HG1 THR 87 HG1 THR 87 4.085 -9.149 -8.212 680 1HG2 THR 87 HG21 THR 87 2.623 -9.005 -4.962 681 2HG2 THR 87 HG23 THR 87 4.349 -9.337 -4.832 682 3HG2 THR 87 HG22 THR 87 3.729 -7.730 -4.455 683 H ALA 88 HN ALA 88 3.141 -9.237 -9.107 684 HA ALA 88 HA ALA 88 0.653 -10.889 -9.002 685 1HB ALA 88 HB1 ALA 88 2.565 -10.143 -11.200 686 2HB ALA 88 HB3 ALA 88 1.582 -11.599 -11.346 687 3HB ALA 88 HB2 ALA 88 0.807 -10.025 -11.173 688 H GLU 89 HN GLU 89 4.196 -11.072 -9.141 689 HA GLU 89 HA GLU 89 4.132 -14.010 -8.969 690 1HB GLU 89 HB2 GLU 89 5.902 -12.885 -10.279 691 2HB GLU 89 HB1 GLU 89 6.465 -12.075 -8.817 692 1HG GLU 89 HG2 GLU 89 7.302 -14.038 -7.884 693 2HG GLU 89 HG1 GLU 89 6.218 -15.066 -8.822 694 H ALA 90 HN ALA 90 5.942 -11.647 -6.980 695 HA ALA 90 HA ALA 90 6.227 -11.539 -4.653 696 1HB ALA 90 HB1 ALA 90 3.609 -11.717 -4.918 697 2HB ALA 90 HB3 ALA 90 3.858 -13.325 -4.240 698 3HB ALA 90 HB2 ALA 90 4.355 -11.898 -3.332 699 H LYS 91 HN LYS 91 8.126 -12.783 -4.532 700 HA LYS 91 HA LYS 91 8.231 -15.628 -4.731 701 1HB LYS 91 HB2 LYS 91 10.099 -13.958 -3.044 702 2HB LYS 91 HB1 LYS 91 10.460 -15.428 -3.945 703 1HG LYS 91 HG2 LYS 91 9.790 -14.075 -6.045 704 2HG LYS 91 HG1 LYS 91 9.967 -12.654 -5.014 705 1HD LYS 91 HD2 LYS 91 12.149 -12.750 -5.664 706 2HD LYS 91 HD1 LYS 91 12.266 -14.003 -4.427 707 1HE LYS 91 HE2 LYS 91 11.734 -15.717 -6.153 708 2HE LYS 91 HE1 LYS 91 11.722 -14.448 -7.377 709 1HZ LYS 91 HZ2 LYS 91 14.042 -15.004 -5.614 710 2HZ LYS 91 HZ1 LYS 91 13.862 -15.672 -7.166 711 3HZ LYS 91 HZ3 LYS 91 14.000 -13.993 -6.979 712 H LYS 92 HN LYS 92 9.778 -15.384 -1.925 713 HA LYS 92 HA LYS 92 7.416 -15.649 -0.155 714 1HB LYS 92 HB2 LYS 92 8.111 -17.824 0.685 715 2HB LYS 92 HB1 LYS 92 7.917 -17.930 -1.065 716 1HG LYS 92 HG2 LYS 92 10.448 -17.375 -1.168 717 2HG LYS 92 HG1 LYS 92 10.468 -17.819 0.539 718 1HD LYS 92 HD2 LYS 92 9.058 -19.903 -0.511 719 2HD LYS 92 HD1 LYS 92 10.146 -19.531 -1.849 720 1HE LYS 92 HE2 LYS 92 10.844 -20.336 0.971 721 2HE LYS 92 HE1 LYS 92 11.387 -21.054 -0.546 722 1HZ LYS 92 HZ3 LYS 92 12.179 -18.438 -0.685 723 2HZ LYS 92 HZ2 LYS 92 12.497 -18.879 0.924 724 3HZ LYS 92 HZ1 LYS 92 13.171 -19.772 -0.354 725 H GLU 93 HN GLU 93 10.984 -15.878 -0.323 726 HA GLU 93 HA GLU 93 11.301 -15.106 2.434 727 1HB GLU 93 HB2 GLU 93 13.691 -15.013 1.920 728 2HB GLU 93 HB1 GLU 93 12.988 -16.469 1.216 729 1HG GLU 93 HG2 GLU 93 13.933 -15.784 -0.725 730 2HG GLU 93 HG1 GLU 93 12.629 -14.598 -0.786 731 H ASN 94 HN ASN 94 10.418 -13.404 -0.296 732 HA ASN 94 HA ASN 94 11.809 -10.906 0.434 733 1HB ASN 94 HB2 ASN 94 10.111 -11.842 -1.841 734 2HB ASN 94 HB1 ASN 94 10.164 -10.111 -1.509 735 1HD2 ASN 94 HD22 ASN 94 12.998 -10.398 -3.732 736 2HD2 ASN 94 HD21 ASN 94 11.318 -10.152 -3.738 737 H ILE 95 HN ILE 95 8.663 -12.412 0.785 738 HA ILE 95 HA ILE 95 7.260 -9.976 1.497 739 HB ILE 95 HB ILE 95 6.473 -12.767 2.354 740 1HG1 ILE 95 HG12 ILE 95 6.966 -13.020 0.021 741 2HG1 ILE 95 HG11 ILE 95 5.219 -12.801 0.130 742 1HG2 ILE 95 HG23 ILE 95 5.267 -10.519 3.003 743 2HG2 ILE 95 HG22 ILE 95 4.656 -10.595 1.351 744 3HG2 ILE 95 HG21 ILE 95 4.309 -11.904 2.481 745 1HD1 ILE 95 HD13 ILE 95 5.691 -10.292 -0.220 746 2HD1 ILE 95 HD12 ILE 95 7.304 -10.794 -0.728 747 3HD1 ILE 95 HD11 ILE 95 5.887 -11.349 -1.619 748 H ILE 96 HN ILE 96 9.356 -12.163 3.190 749 HA ILE 96 HA ILE 96 8.409 -11.484 5.855 750 HB ILE 96 HB ILE 96 10.975 -12.757 4.872 751 1HG1 ILE 96 HG12 ILE 96 8.644 -13.960 6.391 752 2HG1 ILE 96 HG11 ILE 96 8.766 -13.994 4.631 753 1HG2 ILE 96 HG22 ILE 96 9.972 -12.146 7.658 754 2HG2 ILE 96 HG21 ILE 96 11.143 -13.428 7.349 755 3HG2 ILE 96 HG23 ILE 96 11.541 -11.756 6.956 756 1HD1 ILE 96 HD11 ILE 96 10.931 -15.058 6.462 757 2HD1 ILE 96 HD13 ILE 96 9.649 -16.067 5.793 758 3HD1 ILE 96 HD12 ILE 96 10.801 -15.275 4.717 759 H ALA 97 HN ALA 97 11.556 -10.794 4.319 760 HA ALA 97 HA ALA 97 12.487 -8.842 6.056 761 1HB ALA 97 HB2 ALA 97 13.171 -9.722 3.479 762 2HB ALA 97 HB1 ALA 97 12.929 -7.983 3.317 763 3HB ALA 97 HB3 ALA 97 14.093 -8.606 4.485 764 H ALA 98 HN ALA 98 10.319 -8.337 3.293 765 HA ALA 98 HA ALA 98 10.021 -5.529 3.588 766 1HB ALA 98 HB2 ALA 98 9.117 -7.318 1.796 767 2HB ALA 98 HB1 ALA 98 7.648 -7.126 2.749 768 3HB ALA 98 HB3 ALA 98 8.390 -5.722 1.977 769 H ALA 99 HN ALA 99 7.911 -8.152 4.830 770 HA ALA 99 HA ALA 99 6.091 -6.574 6.236 771 1HB ALA 99 HB2 ALA 99 6.064 -9.103 5.939 772 2HB ALA 99 HB1 ALA 99 7.188 -9.182 7.296 773 3HB ALA 99 HB3 ALA 99 5.572 -8.517 7.529 774 H GLN 100 HN GLN 100 9.295 -7.696 7.286 775 HA GLN 100 HA GLN 100 9.184 -6.819 9.971 776 1HB GLN 100 HB2 GLN 100 11.057 -8.088 8.586 777 2HB GLN 100 HB1 GLN 100 11.714 -6.460 8.410 778 1HG GLN 100 HG2 GLN 100 12.724 -7.100 10.398 779 2HG GLN 100 HG1 GLN 100 11.253 -6.350 11.019 780 1HE2 GLN 100 HE21 GLN 100 12.635 -9.545 10.134 781 2HE2 GLN 100 HE22 GLN 100 11.638 -10.437 11.180 782 H ALA 101 HN ALA 101 9.382 -4.989 7.030 783 HA ALA 101 HA ALA 101 10.229 -2.544 8.476 784 1HB ALA 101 HB1 ALA 101 9.766 -3.176 5.561 785 2HB ALA 101 HB3 ALA 101 10.010 -1.528 6.133 786 3HB ALA 101 HB2 ALA 101 11.276 -2.733 6.350 787 H GLY 102 HN GLY 102 7.566 -3.327 6.229 788 1HA GLY 102 HA2 GLY 102 5.519 -2.359 7.945 789 2HA GLY 102 HA1 GLY 102 5.967 -1.094 6.815 790 H ALA 103 HN ALA 103 6.588 -3.646 4.992 791 HA ALA 103 HA ALA 103 4.366 -3.471 3.278 792 1HB ALA 103 HB1 ALA 103 6.725 -5.127 3.506 793 2HB ALA 103 HB3 ALA 103 5.353 -6.044 2.906 794 3HB ALA 103 HB2 ALA 103 5.880 -4.589 2.062 795 H SER 104 HN SER 104 4.042 -4.349 6.280 796 HA SER 104 HA SER 104 3.035 -6.735 6.893 797 1HB SER 104 HB2 SER 104 2.112 -4.013 7.490 798 2HB SER 104 HB1 SER 104 0.855 -5.232 7.679 799 HG SER 104 HG SER 104 1.978 -5.142 9.589 800 H GLY 105 HN GLY 105 1.443 -4.655 4.490 801 1HA GLY 105 HA2 GLY 105 -0.594 -6.809 4.081 802 2HA GLY 105 HA1 GLY 105 -0.793 -5.134 3.585 803 OH TYR 106 OH TYR 106 2.094 -13.218 -2.686 804 H TYR 106 HN TYR 106 -0.398 -8.040 2.258 805 HA TYR 106 HA TYR 106 0.901 -6.895 -0.135 806 1HB TYR 106 HB2 TYR 106 2.875 -7.904 0.297 807 2HB TYR 106 HB1 TYR 106 2.191 -8.845 1.620 808 HD1 TYR 106 HD1 TYR 106 1.961 -8.694 -2.160 809 HD2 TYR 106 HD2 TYR 106 2.157 -11.160 1.359 810 HE1 TYR 106 HE1 TYR 106 1.983 -10.729 -3.565 811 HE2 TYR 106 HE2 TYR 106 2.181 -13.182 -0.056 812 HH TYR 106 HH TYR 106 2.867 -13.736 -2.449 813 H VAL 107 HN VAL 107 -0.680 -7.221 -1.567 814 HA VAL 107 HA VAL 107 -2.190 -9.798 -1.516 815 HB VAL 107 HB VAL 107 -3.515 -7.688 -1.398 816 1HG1 VAL 107 HG11 VAL 107 -1.636 -6.660 -3.040 817 2HG1 VAL 107 HG13 VAL 107 -2.858 -7.076 -4.236 818 3HG1 VAL 107 HG12 VAL 107 -3.252 -5.980 -2.915 819 1HG2 VAL 107 HG23 VAL 107 -4.419 -9.740 -2.500 820 2HG2 VAL 107 HG22 VAL 107 -5.061 -8.263 -3.215 821 3HG2 VAL 107 HG21 VAL 107 -3.791 -9.163 -4.041 822 H VAL 108 HN VAL 108 -1.982 -11.183 -3.253 823 HA VAL 108 HA VAL 108 0.049 -10.457 -5.252 824 HB VAL 108 HB VAL 108 -1.395 -12.973 -5.746 825 1HG1 VAL 108 HG11 VAL 108 0.943 -12.225 -6.493 826 2HG1 VAL 108 HG13 VAL 108 1.456 -12.599 -4.850 827 3HG1 VAL 108 HG12 VAL 108 0.793 -13.869 -5.872 828 1HG2 VAL 108 HG21 VAL 108 -0.233 -12.458 -3.000 829 2HG2 VAL 108 HG23 VAL 108 -1.868 -12.988 -3.388 830 3HG2 VAL 108 HG22 VAL 108 -0.503 -14.073 -3.649 831 H LYS 109 HN LYS 109 -0.975 -8.904 -6.596 832 HA LYS 109 HA LYS 109 -3.653 -8.917 -7.457 833 1HB LYS 109 HB2 LYS 109 -3.021 -7.139 -8.783 834 2HB LYS 109 HB1 LYS 109 -1.582 -7.243 -7.783 835 1HG LYS 109 HG2 LYS 109 -0.648 -8.862 -9.554 836 2HG LYS 109 HG1 LYS 109 -1.967 -8.296 -10.586 837 1HD LYS 109 HD2 LYS 109 -0.947 -5.933 -9.623 838 2HD LYS 109 HD1 LYS 109 0.505 -6.923 -9.760 839 1HE LYS 109 HE2 LYS 109 -0.056 -7.442 -12.101 840 2HE LYS 109 HE1 LYS 109 -1.520 -6.467 -11.971 841 1HZ LYS 109 HZ1 LYS 109 -0.107 -4.553 -11.421 842 2HZ LYS 109 HZ3 LYS 109 1.273 -5.506 -11.676 843 3HZ LYS 109 HZ2 LYS 109 0.220 -5.175 -12.968 844 HA PRO 110 HA PRO 110 -4.796 -8.367 -9.515 845 1HB PRO 110 HB2 PRO 110 -6.871 -10.077 -10.504 846 2HB PRO 110 HB1 PRO 110 -6.018 -8.802 -11.382 847 1HG PRO 110 HG2 PRO 110 -5.807 -11.605 -11.833 848 2HG PRO 110 HG1 PRO 110 -4.815 -10.336 -12.565 849 1HD PRO 110 HD2 PRO 110 -4.106 -12.230 -10.432 850 2HD PRO 110 HD1 PRO 110 -3.043 -11.196 -11.410 851 H PHE 111 HN PHE 111 -6.978 -8.182 -8.370 852 HA PHE 111 HA PHE 111 -7.646 -10.463 -6.603 853 1HB PHE 111 HB2 PHE 111 -7.769 -8.840 -4.638 854 2HB PHE 111 HB1 PHE 111 -6.159 -9.330 -5.132 855 HD1 PHE 111 HD1 PHE 111 -8.730 -6.621 -5.622 856 HD2 PHE 111 HD2 PHE 111 -4.576 -7.707 -5.681 857 HE1 PHE 111 HE1 PHE 111 -8.095 -4.266 -6.033 858 HE2 PHE 111 HE2 PHE 111 -3.952 -5.347 -6.078 859 HZ PHE 111 HZ PHE 111 -5.719 -3.621 -6.252 860 H THR 112 HN THR 112 -9.654 -10.080 -5.423 861 HA THR 112 HA THR 112 -11.534 -8.376 -6.993 862 HB THR 112 HB THR 112 -12.628 -10.228 -4.965 863 HG1 THR 112 HG1 THR 112 -10.715 -11.275 -5.976 864 1HG2 THR 112 HG23 THR 112 -13.987 -8.993 -6.629 865 2HG2 THR 112 HG22 THR 112 -13.145 -9.839 -7.926 866 3HG2 THR 112 HG21 THR 112 -14.167 -10.738 -6.805 867 H ALA 113 HN ALA 113 -12.839 -6.852 -5.819 868 HA ALA 113 HA ALA 113 -11.665 -5.493 -3.688 869 1HB ALA 113 HB3 ALA 113 -13.811 -4.920 -5.097 870 2HB ALA 113 HB2 ALA 113 -14.667 -5.731 -3.785 871 3HB ALA 113 HB1 ALA 113 -13.680 -4.308 -3.449 872 H ALA 114 HN ALA 114 -13.650 -8.392 -3.570 873 HA ALA 114 HA ALA 114 -13.992 -8.344 -0.698 874 1HB ALA 114 HB2 ALA 114 -15.346 -9.758 -2.333 875 2HB ALA 114 HB1 ALA 114 -13.932 -10.801 -2.477 876 3HB ALA 114 HB3 ALA 114 -14.742 -10.628 -0.921 877 H THR 115 HN THR 115 -11.566 -9.639 -2.919 878 HA THR 115 HA THR 115 -10.040 -10.982 -0.863 879 HB THR 115 HB THR 115 -9.428 -10.063 -3.663 880 HG1 THR 115 HG1 THR 115 -10.195 -11.987 -3.925 881 1HG2 THR 115 HG23 THR 115 -7.524 -11.193 -1.604 882 2HG2 THR 115 HG22 THR 115 -7.219 -11.301 -3.336 883 3HG2 THR 115 HG21 THR 115 -7.323 -9.724 -2.557 884 H LEU 116 HN LEU 116 -9.150 -7.968 -2.726 885 HA LEU 116 HA LEU 116 -7.190 -7.039 -0.988 886 1HB LEU 116 HB2 LEU 116 -8.480 -5.938 -3.108 887 2HB LEU 116 HB1 LEU 116 -9.181 -4.993 -1.799 888 HG LEU 116 HG LEU 116 -6.838 -4.568 -0.953 889 1HD1 LEU 116 HD13 LEU 116 -6.242 -6.250 -3.315 890 2HD1 LEU 116 HD12 LEU 116 -5.252 -4.804 -3.158 891 3HD1 LEU 116 HD11 LEU 116 -5.301 -5.985 -1.851 892 1HD2 LEU 116 HD21 LEU 116 -8.191 -2.985 -2.433 893 2HD2 LEU 116 HD23 LEU 116 -6.445 -2.750 -2.450 894 3HD2 LEU 116 HD22 LEU 116 -7.232 -3.588 -3.783 895 H GLU 117 HN GLU 117 -10.720 -6.799 -0.537 896 HA GLU 117 HA GLU 117 -10.639 -5.206 1.811 897 1HB GLU 117 HB2 GLU 117 -12.730 -5.544 0.626 898 2HB GLU 117 HB1 GLU 117 -12.650 -7.282 0.918 899 1HG GLU 117 HG2 GLU 117 -13.052 -7.034 3.231 900 2HG GLU 117 HG1 GLU 117 -12.635 -5.320 3.208 901 H GLU 118 HN GLU 118 -10.826 -8.744 1.443 902 HA GLU 118 HA GLU 118 -10.862 -9.542 4.104 903 1HB GLU 118 HB2 GLU 118 -10.870 -11.118 2.194 904 2HB GLU 118 HB1 GLU 118 -9.165 -10.768 1.907 905 1HG GLU 118 HG2 GLU 118 -8.522 -11.715 4.010 906 2HG GLU 118 HG1 GLU 118 -10.198 -11.803 4.556 907 H LYS 119 HN LYS 119 -7.853 -9.043 2.217 908 HA LYS 119 HA LYS 119 -6.009 -9.307 4.300 909 1HB LYS 119 HB2 LYS 119 -5.999 -8.264 1.647 910 2HB LYS 119 HB1 LYS 119 -5.222 -7.065 2.679 911 1HG LYS 119 HG2 LYS 119 -3.495 -8.558 1.949 912 2HG LYS 119 HG1 LYS 119 -3.817 -8.958 3.634 913 1HD LYS 119 HD2 LYS 119 -3.960 -11.090 2.816 914 2HD LYS 119 HD1 LYS 119 -5.604 -10.599 2.410 915 1HE LYS 119 HE2 LYS 119 -3.218 -10.388 0.547 916 2HE LYS 119 HE1 LYS 119 -4.453 -11.643 0.478 917 1HZ LYS 119 HZ1 LYS 119 -6.030 -9.577 0.419 918 2HZ LYS 119 HZ3 LYS 119 -4.655 -8.800 -0.198 919 3HZ LYS 119 HZ2 LYS 119 -5.297 -10.155 -0.998 920 H LEU 120 HN LEU 120 -7.978 -6.481 3.451 921 HA LEU 120 HA LEU 120 -6.787 -4.627 5.245 922 1HB LEU 120 HB2 LEU 120 -8.935 -4.612 3.467 923 2HB LEU 120 HB1 LEU 120 -9.696 -4.357 5.034 924 HG LEU 120 HG LEU 120 -7.813 -2.581 5.399 925 1HD1 LEU 120 HD12 LEU 120 -6.535 -3.294 3.356 926 2HD1 LEU 120 HD11 LEU 120 -7.881 -2.729 2.368 927 3HD1 LEU 120 HD13 LEU 120 -6.962 -1.583 3.343 928 1HD2 LEU 120 HD21 LEU 120 -10.315 -2.448 3.791 929 2HD2 LEU 120 HD23 LEU 120 -9.883 -1.595 5.274 930 3HD2 LEU 120 HD22 LEU 120 -9.256 -1.040 3.721 931 H ASN 121 HN ASN 121 -9.356 -7.030 5.770 932 HA ASN 121 HA ASN 121 -9.913 -6.191 8.479 933 1HB ASN 121 HB2 ASN 121 -11.084 -7.936 6.681 934 2HB ASN 121 HB1 ASN 121 -10.405 -9.022 7.895 935 1HD2 ASN 121 HD21 ASN 121 -11.517 -9.189 9.873 936 2HD2 ASN 121 HD22 ASN 121 -12.814 -8.193 10.326 937 H LYS 122 HN LYS 122 -7.651 -8.476 7.033 938 HA LYS 122 HA LYS 122 -6.891 -9.726 9.530 939 1HB LYS 122 HB2 LYS 122 -5.898 -9.714 6.726 940 2HB LYS 122 HB1 LYS 122 -4.722 -10.133 7.973 941 1HG LYS 122 HG2 LYS 122 -6.120 -11.920 8.793 942 2HG LYS 122 HG1 LYS 122 -7.455 -11.420 7.754 943 1HD LYS 122 HD2 LYS 122 -5.984 -11.869 5.764 944 2HD LYS 122 HD1 LYS 122 -4.783 -12.541 6.867 945 1HE LYS 122 HE2 LYS 122 -7.596 -13.551 6.386 946 2HE LYS 122 HE1 LYS 122 -6.085 -14.387 6.031 947 1HZ LYS 122 HZ3 LYS 122 -6.971 -13.586 8.749 948 2HZ LYS 122 HZ2 LYS 122 -7.146 -15.146 8.099 949 3HZ LYS 122 HZ1 LYS 122 -5.596 -14.501 8.363 950 H ILE 123 HN ILE 123 -5.973 -6.792 7.891 951 HA ILE 123 HA ILE 123 -3.571 -6.428 9.574 952 HB ILE 123 HB ILE 123 -4.882 -4.712 7.446 953 1HG1 ILE 123 HG12 ILE 123 -2.206 -6.126 7.413 954 2HG1 ILE 123 HG11 ILE 123 -3.685 -6.875 6.815 955 1HG2 ILE 123 HG22 ILE 123 -2.908 -4.012 9.474 956 2HG2 ILE 123 HG21 ILE 123 -2.244 -3.853 7.853 957 3HG2 ILE 123 HG23 ILE 123 -3.705 -2.979 8.290 958 1HD1 ILE 123 HD12 ILE 123 -3.987 -4.884 5.295 959 2HD1 ILE 123 HD11 ILE 123 -2.389 -4.333 5.799 960 3HD1 ILE 123 HD13 ILE 123 -2.563 -5.858 4.932 961 H PHE 124 HN PHE 124 -6.864 -5.185 9.267 962 HA PHE 124 HA PHE 124 -6.424 -3.158 11.329 963 1HB PHE 124 HB2 PHE 124 -8.859 -4.095 9.810 964 2HB PHE 124 HB1 PHE 124 -8.924 -2.861 11.056 965 HD1 PHE 124 HD2 PHE 124 -5.735 -2.684 9.296 966 HD2 PHE 124 HD1 PHE 124 -9.892 -1.609 9.027 967 HE1 PHE 124 HE2 PHE 124 -5.179 -0.953 7.654 968 HE2 PHE 124 HE1 PHE 124 -9.315 0.125 7.357 969 HZ PHE 124 HZ PHE 124 -6.974 0.439 6.675 970 H GLU 125 HN GLU 125 -6.473 -6.339 11.657 971 HA GLU 125 HA GLU 125 -8.451 -6.595 13.793 972 1HB GLU 125 HB2 GLU 125 -7.785 -8.606 12.548 973 2HB GLU 125 HB1 GLU 125 -6.097 -8.350 12.989 974 1HG GLU 125 HG2 GLU 125 -7.193 -10.080 14.405 975 2HG GLU 125 HG1 GLU 125 -6.624 -8.707 15.353 976 H LYS 126 HN LYS 126 -5.185 -5.588 13.371 977 HA LYS 126 HA LYS 126 -4.706 -5.469 16.305 978 1HB LYS 126 HB2 LYS 126 -2.921 -6.359 14.731 979 2HB LYS 126 HB1 LYS 126 -2.819 -4.742 14.040 980 1HG LYS 126 HG2 LYS 126 -1.179 -4.531 15.642 981 2HG LYS 126 HG1 LYS 126 -2.570 -4.069 16.622 982 1HD LYS 126 HD2 LYS 126 -2.770 -6.347 17.482 983 2HD LYS 126 HD1 LYS 126 -1.454 -6.886 16.438 984 1HE LYS 126 HE2 LYS 126 -1.145 -6.023 19.033 985 2HE LYS 126 HE1 LYS 126 0.138 -6.069 17.825 986 1HZ LYS 126 HZ1 LYS 126 -0.585 -3.786 17.172 987 2HZ LYS 126 HZ3 LYS 126 -1.586 -3.767 18.540 988 3HZ LYS 126 HZ2 LYS 126 0.098 -3.899 18.723 989 H LEU 127 HN LEU 127 -5.361 -3.556 13.460 990 HA LEU 127 HA LEU 127 -4.805 -1.004 14.804 991 1HB LEU 127 HB2 LEU 127 -4.801 -1.692 12.170 992 2HB LEU 127 HB1 LEU 127 -6.437 -1.047 12.312 993 HG LEU 127 HG LEU 127 -5.343 0.952 13.534 994 1HD1 LEU 127 HD11 LEU 127 -3.070 -0.609 13.290 995 2HD1 LEU 127 HD13 LEU 127 -2.893 0.543 11.968 996 3HD1 LEU 127 HD12 LEU 127 -3.084 1.122 13.622 997 1HD2 LEU 127 HD23 LEU 127 -6.297 1.026 11.235 998 2HD2 LEU 127 HD22 LEU 127 -4.885 2.070 11.400 999 3HD2 LEU 127 HD21 LEU 127 -4.737 0.510 10.592 1000 H GLY 128 HN GLY 128 -7.460 -3.198 14.381 1001 1HA GLY 128 HA2 GLY 128 -9.743 -3.016 14.940 1002 2HA GLY 128 HA1 GLY 128 -9.103 -2.192 16.362 1003 H MET 129 HN MET 129 -10.364 -1.692 13.101 1004 HA MET 129 HA MET 129 -10.460 1.236 13.551 1005 1HB MET 129 HB2 MET 129 -10.680 -0.574 11.214 1006 2HB MET 129 HB1 MET 129 -11.703 0.863 11.165 1007 1HG MET 129 HG2 MET 129 -8.772 1.031 11.867 1008 2HG MET 129 HG1 MET 129 -9.327 1.092 10.195 1009 1HE MET 129 HE1 MET 129 -7.760 3.127 12.236 1010 2HE MET 129 HE3 MET 129 -7.849 3.515 10.512 1011 3HE MET 129 HE2 MET 129 -8.326 4.712 11.714 Start of MODEL 37 Raw file had 1011 H/Q atoms Start of MODEL 37 1 H ALA 2 HN ALA 2 -13.914 -0.713 7.348 2 HA ALA 2 HA ALA 2 -13.878 0.676 9.863 3 1HB ALA 2 HB3 ALA 2 -11.926 0.354 7.592 4 2HB ALA 2 HB2 ALA 2 -11.575 1.482 8.900 5 3HB ALA 2 HB1 ALA 2 -11.801 -0.230 9.251 6 H ASP 3 HN ASP 3 -12.461 3.027 9.433 7 HA ASP 3 HA ASP 3 -14.378 4.995 9.069 8 1HB ASP 3 HB2 ASP 3 -11.620 4.968 9.420 9 2HB ASP 3 HB1 ASP 3 -11.826 5.794 7.875 10 H LYS 4 HN LYS 4 -15.083 6.268 7.256 11 HA LYS 4 HA LYS 4 -14.953 4.804 4.695 12 1HB LYS 4 HB2 LYS 4 -16.493 7.347 5.226 13 2HB LYS 4 HB1 LYS 4 -16.758 6.165 3.953 14 1HG LYS 4 HG2 LYS 4 -16.890 4.801 6.476 15 2HG LYS 4 HG1 LYS 4 -17.916 6.227 6.572 16 1HD LYS 4 HD2 LYS 4 -19.362 4.588 5.712 17 2HD LYS 4 HD1 LYS 4 -18.842 5.427 4.255 18 1HE LYS 4 HE2 LYS 4 -18.550 3.156 3.707 19 2HE LYS 4 HE1 LYS 4 -16.932 3.656 4.200 20 1HZ LYS 4 HZ3 LYS 4 -18.838 2.543 6.156 21 2HZ LYS 4 HZ2 LYS 4 -17.889 1.520 5.187 22 3HZ LYS 4 HZ1 LYS 4 -17.147 2.622 6.247 23 H GLU 5 HN GLU 5 -12.862 6.856 6.046 24 HA GLU 5 HA GLU 5 -12.112 7.995 3.410 25 1HB GLU 5 HB2 GLU 5 -11.806 10.255 4.404 26 2HB GLU 5 HB1 GLU 5 -13.494 9.743 4.409 27 1HG GLU 5 HG2 GLU 5 -13.570 9.981 6.643 28 2HG GLU 5 HG1 GLU 5 -12.270 8.800 6.818 29 H LEU 6 HN LEU 6 -10.741 5.969 4.593 30 HA LEU 6 HA LEU 6 -8.606 6.969 6.275 31 1HB LEU 6 HB2 LEU 6 -9.435 4.628 6.395 32 2HB LEU 6 HB1 LEU 6 -8.850 4.358 4.757 33 HG LEU 6 HG LEU 6 -6.544 4.857 5.502 34 1HD1 LEU 6 HD13 LEU 6 -8.001 5.511 8.014 35 2HD1 LEU 6 HD12 LEU 6 -6.445 4.699 8.181 36 3HD1 LEU 6 HD11 LEU 6 -6.548 6.243 7.335 37 1HD2 LEU 6 HD23 LEU 6 -8.204 2.688 6.684 38 2HD2 LEU 6 HD22 LEU 6 -6.823 2.582 5.597 39 3HD2 LEU 6 HD21 LEU 6 -6.573 2.886 7.318 40 H LYS 7 HN LYS 7 -7.118 8.333 5.337 41 HA LYS 7 HA LYS 7 -6.692 8.807 2.640 42 1HB LYS 7 HB2 LYS 7 -4.975 9.089 5.067 43 2HB LYS 7 HB1 LYS 7 -4.254 9.372 3.485 44 1HG LYS 7 HG2 LYS 7 -5.752 11.135 2.981 45 2HG LYS 7 HG1 LYS 7 -6.867 10.662 4.261 46 1HD LYS 7 HD2 LYS 7 -5.690 12.613 5.034 47 2HD LYS 7 HD1 LYS 7 -5.045 11.238 5.928 48 1HE LYS 7 HE2 LYS 7 -3.098 11.136 4.503 49 2HE LYS 7 HE1 LYS 7 -3.780 12.334 3.403 50 1HZ LYS 7 HZ2 LYS 7 -3.852 13.825 5.457 51 2HZ LYS 7 HZ1 LYS 7 -2.765 12.717 6.146 52 3HZ LYS 7 HZ3 LYS 7 -2.341 13.550 4.731 53 H PHE 8 HN PHE 8 -6.081 7.476 1.008 54 HA PHE 8 HA PHE 8 -4.167 5.251 1.591 55 1HB PHE 8 HB2 PHE 8 -6.298 5.585 -0.540 56 2HB PHE 8 HB1 PHE 8 -5.035 4.381 -0.664 57 HD1 PHE 8 HD2 PHE 8 -8.058 5.413 1.118 58 HD2 PHE 8 HD1 PHE 8 -5.005 2.431 0.812 59 HE1 PHE 8 HE2 PHE 8 -9.395 3.888 2.533 60 HE2 PHE 8 HE1 PHE 8 -6.372 0.888 2.207 61 HZ PHE 8 HZ PHE 8 -8.562 1.629 3.077 62 H LEU 9 HN LEU 9 -2.448 4.936 0.089 63 HA LEU 9 HA LEU 9 -2.040 7.157 -1.876 64 1HB LEU 9 HB2 LEU 9 -0.452 7.404 0.015 65 2HB LEU 9 HB1 LEU 9 0.123 5.774 -0.264 66 HG LEU 9 HG LEU 9 0.817 6.423 -2.551 67 1HD1 LEU 9 HD13 LEU 9 -0.495 8.965 -1.713 68 2HD1 LEU 9 HD12 LEU 9 0.932 9.075 -2.739 69 3HD1 LEU 9 HD11 LEU 9 -0.483 8.181 -3.291 70 1HD2 LEU 9 HD23 LEU 9 1.812 7.994 -0.198 71 2HD2 LEU 9 HD22 LEU 9 2.542 6.579 -0.962 72 3HD2 LEU 9 HD21 LEU 9 2.574 8.138 -1.781 73 H VAL 10 HN VAL 10 -2.433 6.189 -3.793 74 HA VAL 10 HA VAL 10 -1.702 3.350 -4.176 75 HB VAL 10 HB VAL 10 -2.778 4.930 -6.441 76 1HG1 VAL 10 HG11 VAL 10 -2.517 2.353 -6.133 77 2HG1 VAL 10 HG13 VAL 10 -3.967 2.489 -5.138 78 3HG1 VAL 10 HG12 VAL 10 -4.011 2.973 -6.834 79 1HG2 VAL 10 HG23 VAL 10 -4.239 4.594 -3.809 80 2HG2 VAL 10 HG22 VAL 10 -3.989 6.079 -4.722 81 3HG2 VAL 10 HG21 VAL 10 -5.087 4.845 -5.334 82 H VAL 11 HN VAL 11 0.433 3.015 -4.698 83 HA VAL 11 HA VAL 11 1.692 4.901 -6.613 84 HB VAL 11 HB VAL 11 3.071 3.143 -4.579 85 1HG1 VAL 11 HG13 VAL 11 4.008 5.000 -6.727 86 2HG1 VAL 11 HG12 VAL 11 4.915 4.943 -5.218 87 3HG1 VAL 11 HG11 VAL 11 4.708 3.478 -6.177 88 1HG2 VAL 11 HG21 VAL 11 1.945 5.867 -4.484 89 2HG2 VAL 11 HG23 VAL 11 2.318 4.761 -3.163 90 3HG2 VAL 11 HG22 VAL 11 3.599 5.732 -3.887 91 H ASP 12 HN ASP 12 1.903 4.066 -8.605 92 HA ASP 12 HA ASP 12 2.880 1.308 -8.939 93 1HB ASP 12 HB2 ASP 12 0.688 1.603 -10.758 94 2HB ASP 12 HB1 ASP 12 0.899 0.392 -9.493 95 H ASP 13 HN ASP 13 3.552 0.920 -11.190 96 HA ASP 13 HA ASP 13 4.201 3.477 -12.595 97 1HB ASP 13 HB2 ASP 13 5.924 1.571 -11.773 98 2HB ASP 13 HB1 ASP 13 5.531 0.934 -13.370 99 H PHE 14 HN PHE 14 1.879 1.227 -12.722 100 HA PHE 14 HA PHE 14 1.960 0.563 -15.572 101 1HB PHE 14 HB2 PHE 14 0.399 -0.207 -13.242 102 2HB PHE 14 HB1 PHE 14 -0.642 0.121 -14.628 103 HD1 PHE 14 HD2 PHE 14 0.018 -0.953 -16.889 104 HD2 PHE 14 HD1 PHE 14 1.581 -2.236 -13.100 105 HE1 PHE 14 HE2 PHE 14 0.667 -3.125 -17.893 106 HE2 PHE 14 HE1 PHE 14 2.230 -4.409 -14.103 107 HZ PHE 14 HZ PHE 14 1.773 -4.853 -16.500 108 H SER 15 HN SER 15 0.729 3.131 -13.603 109 HA SER 15 HA SER 15 -0.224 5.177 -14.278 110 1HB SER 15 HB2 SER 15 0.016 5.835 -16.463 111 2HB SER 15 HB1 SER 15 1.066 4.421 -16.524 112 HG SER 15 HG SER 15 -0.297 3.583 -17.871 113 H THR 16 HN THR 16 -1.580 2.239 -15.762 114 HA THR 16 HA THR 16 -4.310 3.385 -15.482 115 HB THR 16 HB THR 16 -3.803 2.325 -17.629 116 HG1 THR 16 HG1 THR 16 -5.511 0.837 -15.927 117 1HG2 THR 16 HG21 THR 16 -2.030 0.807 -16.781 118 2HG2 THR 16 HG23 THR 16 -3.270 -0.173 -15.996 119 3HG2 THR 16 HG22 THR 16 -3.225 -0.051 -17.754 120 H MET 17 HN MET 17 -2.192 1.759 -13.565 121 HA MET 17 HA MET 17 -4.008 -0.264 -12.485 122 1HB MET 17 HB2 MET 17 -1.739 -0.844 -12.238 123 2HB MET 17 HB1 MET 17 -1.286 0.778 -11.715 124 1HG MET 17 HG2 MET 17 -2.180 0.473 -9.565 125 2HG MET 17 HG1 MET 17 -3.205 -0.867 -10.079 126 1HE MET 17 HE3 MET 17 -2.154 -1.036 -7.731 127 2HE MET 17 HE2 MET 17 -1.203 -2.506 -7.535 128 3HE MET 17 HE1 MET 17 -0.405 -0.936 -7.480 129 NH1 ARG 18 NH2 ARG 18 -3.219 8.937 -12.931 130 NH2 ARG 18 NH1 ARG 18 -1.688 9.300 -11.309 131 H ARG 18 HN ARG 18 -3.268 3.087 -11.880 132 HA ARG 18 HA ARG 18 -4.263 3.234 -9.188 133 1HB ARG 18 HB2 ARG 18 -4.705 5.616 -10.853 134 2HB ARG 18 HB1 ARG 18 -3.792 5.443 -9.356 135 1HG ARG 18 HG2 ARG 18 -2.008 4.247 -10.739 136 2HG ARG 18 HG1 ARG 18 -2.875 4.813 -12.168 137 1HD ARG 18 HD2 ARG 18 -1.568 6.486 -10.015 138 2HD ARG 18 HD1 ARG 18 -1.195 6.456 -11.739 139 HE ARG 18 HE ARG 18 -3.918 7.327 -10.956 140 1HH1 ARG 18 HH21 ARG 18 -3.943 8.374 -13.329 141 2HH1 ARG 18 HH22 ARG 18 -2.945 9.789 -13.380 142 1HH2 ARG 18 HH11 ARG 18 -1.239 9.013 -10.462 143 2HH2 ARG 18 HH12 ARG 18 -1.414 10.150 -11.758 144 NH1 ARG 19 NH1 ARG 19 -10.845 1.007 -16.556 145 NH2 ARG 19 NH2 ARG 19 -10.204 2.737 -17.861 146 H ARG 19 HN ARG 19 -5.804 3.820 -12.350 147 HA ARG 19 HA ARG 19 -8.343 4.589 -11.367 148 1HB ARG 19 HB2 ARG 19 -7.663 4.785 -13.743 149 2HB ARG 19 HB1 ARG 19 -7.732 3.029 -13.894 150 1HG ARG 19 HG2 ARG 19 -10.180 4.078 -12.725 151 2HG ARG 19 HG1 ARG 19 -9.853 4.814 -14.294 152 1HD ARG 19 HD2 ARG 19 -9.795 1.829 -13.781 153 2HD ARG 19 HD1 ARG 19 -11.184 2.689 -14.444 154 HE ARG 19 HE ARG 19 -8.589 2.945 -15.863 155 1HH1 ARG 19 HH11 ARG 19 -10.830 0.534 -15.676 156 2HH1 ARG 19 HH12 ARG 19 -11.367 0.626 -17.320 157 1HH2 ARG 19 HH21 ARG 19 -9.697 3.591 -17.979 158 2HH2 ARG 19 HH22 ARG 19 -10.726 2.357 -18.624 159 H ILE 20 HN ILE 20 -6.815 1.478 -11.450 160 HA ILE 20 HA ILE 20 -9.273 -0.069 -11.253 161 HB ILE 20 HB ILE 20 -6.351 -0.610 -11.143 162 1HG1 ILE 20 HG12 ILE 20 -7.028 -2.453 -12.623 163 2HG1 ILE 20 HG11 ILE 20 -8.725 -2.103 -12.299 164 1HG2 ILE 20 HG22 ILE 20 -8.394 -2.310 -9.687 165 2HG2 ILE 20 HG21 ILE 20 -6.880 -2.970 -10.295 166 3HG2 ILE 20 HG23 ILE 20 -6.853 -1.700 -9.076 167 1HD1 ILE 20 HD12 ILE 20 -7.102 0.200 -13.213 168 2HD1 ILE 20 HD11 ILE 20 -7.364 -1.068 -14.410 169 3HD1 ILE 20 HD13 ILE 20 -8.744 -0.268 -13.657 170 H VAL 21 HN VAL 21 -6.686 0.700 -8.904 171 HA VAL 21 HA VAL 21 -8.176 -0.304 -6.669 172 HB VAL 21 HB VAL 21 -6.287 1.722 -5.867 173 1HG1 VAL 21 HG12 VAL 21 -6.996 -0.354 -4.643 174 2HG1 VAL 21 HG11 VAL 21 -6.104 -1.303 -5.832 175 3HG1 VAL 21 HG13 VAL 21 -5.245 -0.182 -4.778 176 1HG2 VAL 21 HG22 VAL 21 -5.365 -0.269 -7.966 177 2HG2 VAL 21 HG21 VAL 21 -5.312 1.487 -8.088 178 3HG2 VAL 21 HG23 VAL 21 -4.281 0.653 -6.928 179 NH1 ARG 22 NH2 ARG 22 -7.287 9.460 -10.089 180 NH2 ARG 22 NH1 ARG 22 -9.425 9.856 -10.707 181 H ARG 22 HN ARG 22 -8.472 2.589 -8.460 182 HA ARG 22 HA ARG 22 -9.355 4.368 -6.379 183 1HB ARG 22 HB2 ARG 22 -9.355 4.293 -9.305 184 2HB ARG 22 HB1 ARG 22 -10.785 5.082 -8.647 185 1HG ARG 22 HG2 ARG 22 -9.454 6.648 -7.401 186 2HG ARG 22 HG1 ARG 22 -7.974 5.751 -7.746 187 1HD ARG 22 HD2 ARG 22 -7.731 6.720 -9.779 188 2HD ARG 22 HD1 ARG 22 -9.440 6.521 -10.168 189 HE ARG 22 HE ARG 22 -9.434 8.570 -8.309 190 1HH1 ARG 22 HH21 ARG 22 -6.625 8.961 -9.528 191 2HH1 ARG 22 HH22 ARG 22 -6.970 10.155 -10.736 192 1HH2 ARG 22 HH11 ARG 22 -10.402 9.660 -10.621 193 2HH2 ARG 22 HH12 ARG 22 -9.109 10.551 -11.354 194 H ASN 23 HN ASN 23 -11.186 2.373 -8.702 195 HA ASN 23 HA ASN 23 -13.762 2.828 -7.551 196 1HB ASN 23 HB2 ASN 23 -12.666 1.568 -9.758 197 2HB ASN 23 HB1 ASN 23 -13.303 0.246 -8.819 198 1HD2 ASN 23 HD22 ASN 23 -16.672 0.995 -9.566 199 2HD2 ASN 23 HD21 ASN 23 -15.571 -0.077 -8.843 200 H LEU 24 HN LEU 24 -11.594 0.033 -7.463 201 HA LEU 24 HA LEU 24 -12.890 -1.680 -5.747 202 1HB LEU 24 HB2 LEU 24 -10.554 -1.866 -6.823 203 2HB LEU 24 HB1 LEU 24 -9.969 -1.013 -5.406 204 HG LEU 24 HG LEU 24 -11.686 -3.264 -4.665 205 1HD1 LEU 24 HD11 LEU 24 -10.809 -4.194 -6.786 206 2HD1 LEU 24 HD13 LEU 24 -9.165 -3.862 -6.239 207 3HD1 LEU 24 HD12 LEU 24 -10.157 -5.044 -5.387 208 1HD2 LEU 24 HD21 LEU 24 -8.824 -2.452 -4.097 209 2HD2 LEU 24 HD23 LEU 24 -10.219 -2.290 -3.033 210 3HD2 LEU 24 HD22 LEU 24 -9.570 -3.887 -3.402 211 H LEU 25 HN LEU 25 -10.817 1.046 -4.698 212 HA LEU 25 HA LEU 25 -11.370 0.690 -1.888 213 1HB LEU 25 HB2 LEU 25 -10.233 2.888 -3.589 214 2HB LEU 25 HB1 LEU 25 -10.703 3.261 -1.936 215 HG LEU 25 HG LEU 25 -8.865 0.969 -2.686 216 1HD1 LEU 25 HD13 LEU 25 -8.366 3.818 -2.521 217 2HD1 LEU 25 HD12 LEU 25 -7.447 2.955 -1.288 218 3HD1 LEU 25 HD11 LEU 25 -7.264 2.523 -2.989 219 1HD2 LEU 25 HD21 LEU 25 -10.175 1.815 -0.230 220 2HD2 LEU 25 HD23 LEU 25 -9.208 0.372 -0.534 221 3HD2 LEU 25 HD22 LEU 25 -8.423 1.876 -0.058 222 H LYS 26 HN LYS 26 -12.810 2.690 -4.442 223 HA LYS 26 HA LYS 26 -14.621 4.152 -2.866 224 1HB LYS 26 HB2 LYS 26 -14.177 4.508 -5.313 225 2HB LYS 26 HB1 LYS 26 -15.150 3.076 -5.647 226 1HG LYS 26 HG2 LYS 26 -17.097 4.112 -4.576 227 2HG LYS 26 HG1 LYS 26 -16.133 5.529 -4.159 228 1HD LYS 26 HD2 LYS 26 -17.134 6.270 -6.117 229 2HD LYS 26 HD1 LYS 26 -15.651 5.573 -6.765 230 1HE LYS 26 HE2 LYS 26 -17.159 4.505 -8.135 231 2HE LYS 26 HE1 LYS 26 -17.171 3.362 -6.793 232 1HZ LYS 26 HZ3 LYS 26 -19.010 4.950 -5.900 233 2HZ LYS 26 HZ2 LYS 26 -19.166 5.383 -7.536 234 3HZ LYS 26 HZ1 LYS 26 -19.392 3.769 -7.055 235 H GLU 27 HN GLU 27 -14.840 0.868 -4.165 236 HA GLU 27 HA GLU 27 -17.564 0.402 -3.529 237 1HB GLU 27 HB2 GLU 27 -15.174 -1.287 -4.071 238 2HB GLU 27 HB1 GLU 27 -16.534 -2.067 -3.262 239 1HG GLU 27 HG2 GLU 27 -18.024 -1.558 -5.047 240 2HG GLU 27 HG1 GLU 27 -16.897 -0.401 -5.757 241 H LEU 28 HN LEU 28 -14.830 0.813 -1.523 242 HA LEU 28 HA LEU 28 -16.140 -0.564 0.773 243 1HB LEU 28 HB2 LEU 28 -13.363 0.090 0.025 244 2HB LEU 28 HB1 LEU 28 -13.748 0.372 1.721 245 HG LEU 28 HG LEU 28 -14.524 -2.204 0.359 246 1HD1 LEU 28 HD12 LEU 28 -11.867 -1.395 1.541 247 2HD1 LEU 28 HD11 LEU 28 -12.387 -3.081 1.520 248 3HD1 LEU 28 HD13 LEU 28 -12.184 -2.201 0.005 249 1HD2 LEU 28 HD21 LEU 28 -15.145 -1.158 2.813 250 2HD2 LEU 28 HD23 LEU 28 -15.083 -2.884 2.464 251 3HD2 LEU 28 HD22 LEU 28 -13.693 -2.084 3.194 252 H GLY 29 HN GLY 29 -16.335 2.384 -0.595 253 1HA GLY 29 HA2 GLY 29 -17.282 4.350 0.293 254 2HA GLY 29 HA1 GLY 29 -17.173 3.618 1.881 255 H PHE 30 HN PHE 30 -14.630 4.309 -0.528 256 HA PHE 30 HA PHE 30 -13.326 6.088 1.496 257 1HB PHE 30 HB2 PHE 30 -12.087 3.924 -0.213 258 2HB PHE 30 HB1 PHE 30 -11.130 5.247 0.436 259 HD1 PHE 30 HD2 PHE 30 -11.631 5.731 3.037 260 HD2 PHE 30 HD1 PHE 30 -12.182 1.968 1.035 261 HE1 PHE 30 HE2 PHE 30 -11.443 4.547 5.206 262 HE2 PHE 30 HE1 PHE 30 -12.000 0.789 3.212 263 HZ PHE 30 HZ PHE 30 -11.634 2.080 5.296 264 H ASN 31 HN ASN 31 -13.100 8.114 0.686 265 HA ASN 31 HA ASN 31 -12.647 8.437 -2.244 266 1HB ASN 31 HB2 ASN 31 -14.099 10.628 -1.732 267 2HB ASN 31 HB1 ASN 31 -14.850 9.109 -2.204 268 1HD2 ASN 31 HD22 ASN 31 -14.931 10.057 1.805 269 2HD2 ASN 31 HD21 ASN 31 -13.578 10.506 0.885 270 H ASN 32 HN ASN 32 -10.400 8.525 -0.987 271 HA ASN 32 HA ASN 32 -9.530 11.270 -1.060 272 1HB ASN 32 HB2 ASN 32 -10.723 11.077 1.219 273 2HB ASN 32 HB1 ASN 32 -9.380 10.039 1.694 274 1HD2 ASN 32 HD22 ASN 32 -7.915 13.139 2.718 275 2HD2 ASN 32 HD21 ASN 32 -8.754 11.771 3.270 276 H VAL 33 HN VAL 33 -7.957 10.297 -2.450 277 HA VAL 33 HA VAL 33 -5.743 8.992 -0.966 278 HB VAL 33 HB VAL 33 -5.669 7.068 -2.243 279 1HG1 VAL 33 HG12 VAL 33 -7.891 7.179 -1.090 280 2HG1 VAL 33 HG11 VAL 33 -8.587 7.798 -2.586 281 3HG1 VAL 33 HG13 VAL 33 -7.904 6.174 -2.537 282 1HG2 VAL 33 HG21 VAL 33 -6.945 8.742 -4.413 283 2HG2 VAL 33 HG23 VAL 33 -5.367 7.951 -4.426 284 3HG2 VAL 33 HG22 VAL 33 -6.837 6.989 -4.544 285 H GLU 34 HN GLU 34 -3.868 8.652 -2.719 286 HA GLU 34 HA GLU 34 -3.801 10.983 -4.569 287 1HB GLU 34 HB2 GLU 34 -2.121 10.544 -2.180 288 2HB GLU 34 HB1 GLU 34 -1.227 10.970 -3.633 289 1HG GLU 34 HG2 GLU 34 -2.841 12.919 -3.923 290 2HG GLU 34 HG1 GLU 34 -3.453 12.543 -2.311 291 H GLU 35 HN GLU 35 -1.259 10.657 -5.564 292 HA GLU 35 HA GLU 35 -0.990 7.793 -6.268 293 1HB GLU 35 HB2 GLU 35 -1.434 9.995 -8.303 294 2HB GLU 35 HB1 GLU 35 -0.950 8.348 -8.700 295 1HG GLU 35 HG2 GLU 35 -3.268 8.246 -8.970 296 2HG GLU 35 HG1 GLU 35 -3.075 7.674 -7.315 297 H ALA 36 HN ALA 36 1.089 7.221 -6.888 298 HA ALA 36 HA ALA 36 3.097 9.403 -7.213 299 1HB ALA 36 HB1 ALA 36 2.850 7.977 -4.847 300 2HB ALA 36 HB3 ALA 36 4.117 7.105 -5.710 301 3HB ALA 36 HB2 ALA 36 4.297 8.828 -5.381 302 H GLU 37 HN GLU 37 5.350 7.895 -7.603 303 HA GLU 37 HA GLU 37 4.615 5.794 -9.581 304 1HB GLU 37 HB2 GLU 37 6.257 6.825 -11.194 305 2HB GLU 37 HB1 GLU 37 4.793 7.774 -10.938 306 1HG GLU 37 HG2 GLU 37 5.941 9.252 -9.405 307 2HG GLU 37 HG1 GLU 37 7.384 8.237 -9.436 308 H ASP 38 HN ASP 38 6.290 6.344 -6.883 309 HA ASP 38 HA ASP 38 7.946 4.099 -7.067 310 1HB ASP 38 HB2 ASP 38 9.440 4.854 -8.645 311 2HB ASP 38 HB1 ASP 38 9.168 6.551 -8.244 312 H GLY 39 HN GLY 39 9.434 3.923 -5.225 313 1HA GLY 39 HA2 GLY 39 8.430 4.840 -2.815 314 2HA GLY 39 HA1 GLY 39 10.123 4.399 -3.027 315 H VAL 40 HN VAL 40 10.956 6.433 -4.778 316 HA VAL 40 HA VAL 40 11.434 8.577 -2.952 317 HB VAL 40 HB VAL 40 11.650 8.716 -5.969 318 1HG1 VAL 40 HG12 VAL 40 13.000 10.171 -3.681 319 2HG1 VAL 40 HG11 VAL 40 13.552 10.259 -5.354 320 3HG1 VAL 40 HG13 VAL 40 11.955 10.866 -4.920 321 1HG2 VAL 40 HG21 VAL 40 12.991 6.976 -4.116 322 2HG2 VAL 40 HG23 VAL 40 13.259 7.139 -5.852 323 3HG2 VAL 40 HG22 VAL 40 14.151 8.157 -4.721 324 H ASP 41 HN ASP 41 9.054 8.166 -5.545 325 HA ASP 41 HA ASP 41 8.061 10.882 -5.388 326 1HB ASP 41 HB2 ASP 41 7.765 9.104 -7.272 327 2HB ASP 41 HB1 ASP 41 6.427 8.522 -6.289 328 H ALA 42 HN ALA 42 7.005 7.763 -4.069 329 HA ALA 42 HA ALA 42 4.690 8.638 -2.705 330 1HB ALA 42 HB3 ALA 42 6.099 6.257 -2.926 331 2HB ALA 42 HB2 ALA 42 6.256 6.663 -1.218 332 3HB ALA 42 HB1 ALA 42 4.657 6.505 -1.941 333 H LEU 43 HN LEU 43 7.907 8.067 -1.228 334 HA LEU 43 HA LEU 43 7.489 9.174 1.271 335 1HB LEU 43 HB2 LEU 43 9.628 8.179 0.652 336 2HB LEU 43 HB1 LEU 43 9.944 9.498 -0.476 337 HG LEU 43 HG LEU 43 9.294 10.445 2.219 338 1HD1 LEU 43 HD13 LEU 43 11.754 8.727 1.781 339 2HD1 LEU 43 HD12 LEU 43 11.498 9.776 3.177 340 3HD1 LEU 43 HD11 LEU 43 10.432 8.400 2.900 341 1HD2 LEU 43 HD21 LEU 43 10.230 11.834 0.392 342 2HD2 LEU 43 HD23 LEU 43 11.298 11.815 1.795 343 3HD2 LEU 43 HD22 LEU 43 11.680 10.830 0.382 344 H ASN 44 HN ASN 44 8.425 10.997 -1.661 345 HA ASN 44 HA ASN 44 8.391 13.562 -0.383 346 1HB ASN 44 HB2 ASN 44 8.168 12.655 -3.248 347 2HB ASN 44 HB1 ASN 44 8.021 14.359 -2.823 348 1HD2 ASN 44 HD22 ASN 44 11.622 12.598 -1.870 349 2HD2 ASN 44 HD21 ASN 44 10.185 11.735 -1.601 350 H LYS 45 HN LYS 45 5.891 11.684 -2.042 351 HA LYS 45 HA LYS 45 3.930 13.853 -1.650 352 1HB LYS 45 HB2 LYS 45 4.203 11.973 -3.608 353 2HB LYS 45 HB1 LYS 45 2.995 11.203 -2.582 354 1HG LYS 45 HG2 LYS 45 1.650 12.481 -3.992 355 2HG LYS 45 HG1 LYS 45 1.854 13.580 -2.630 356 1HD LYS 45 HD2 LYS 45 3.708 14.706 -3.807 357 2HD LYS 45 HD1 LYS 45 3.528 13.594 -5.162 358 1HE LYS 45 HE2 LYS 45 1.121 14.391 -5.348 359 2HE LYS 45 HE1 LYS 45 1.540 15.660 -4.198 360 1HZ LYS 45 HZ1 LYS 45 3.326 16.345 -5.718 361 2HZ LYS 45 HZ3 LYS 45 2.807 15.184 -6.841 362 3HZ LYS 45 HZ2 LYS 45 1.788 16.478 -6.426 363 H LEU 46 HN LEU 46 5.139 11.407 0.288 364 HA LEU 46 HA LEU 46 2.574 10.656 1.489 365 1HB LEU 46 HB2 LEU 46 5.212 9.590 1.528 366 2HB LEU 46 HB1 LEU 46 4.851 10.055 3.181 367 HG LEU 46 HG LEU 46 2.519 8.729 2.352 368 1HD1 LEU 46 HD11 LEU 46 4.027 7.991 0.378 369 2HD1 LEU 46 HD13 LEU 46 4.833 6.993 1.585 370 3HD1 LEU 46 HD12 LEU 46 3.120 6.763 1.262 371 1HD2 LEU 46 HD23 LEU 46 4.923 7.672 3.841 372 2HD2 LEU 46 HD22 LEU 46 3.583 8.575 4.549 373 3HD2 LEU 46 HD21 LEU 46 3.307 6.968 3.876 374 H GLN 47 HN GLN 47 5.164 12.930 2.086 375 HA GLN 47 HA GLN 47 4.513 13.618 4.780 376 1HB GLN 47 HB2 GLN 47 5.922 14.998 2.517 377 2HB GLN 47 HB1 GLN 47 5.503 15.928 3.955 378 1HG GLN 47 HG2 GLN 47 6.683 14.272 5.365 379 2HG GLN 47 HG1 GLN 47 7.121 13.364 3.917 380 1HE2 GLN 47 HE22 GLN 47 8.729 17.117 3.814 381 2HE2 GLN 47 HE21 GLN 47 7.049 16.910 3.946 382 H ALA 48 HN ALA 48 2.576 13.781 2.124 383 HA ALA 48 HA ALA 48 1.365 16.259 2.018 384 1HB ALA 48 HB1 ALA 48 0.745 14.011 0.832 385 2HB ALA 48 HB3 ALA 48 -0.372 13.814 2.183 386 3HB ALA 48 HB2 ALA 48 -0.519 15.208 1.114 387 H GLY 49 HN GLY 49 0.218 13.644 4.214 388 1HA GLY 49 HA2 GLY 49 -0.030 15.519 6.424 389 2HA GLY 49 HA1 GLY 49 -1.594 15.132 5.709 390 H GLY 50 HN GLY 50 0.865 12.677 5.622 391 1HA GLY 50 HA2 GLY 50 1.205 10.821 7.102 392 2HA GLY 50 HA1 GLY 50 -0.119 11.415 8.110 393 OH TYR 51 OH TYR 51 -1.391 11.659 -0.302 394 H TYR 51 HN TYR 51 0.730 9.173 5.708 395 HA TYR 51 HA TYR 51 -2.038 8.851 4.742 396 1HB TYR 51 HB2 TYR 51 0.640 7.775 3.966 397 2HB TYR 51 HB1 TYR 51 -0.812 6.890 3.489 398 HD1 TYR 51 HD2 TYR 51 0.958 10.121 3.270 399 HD2 TYR 51 HD1 TYR 51 -2.352 7.773 1.878 400 HE1 TYR 51 HE2 TYR 51 0.534 11.779 1.483 401 HE2 TYR 51 HE1 TYR 51 -2.790 9.443 0.096 402 HH TYR 51 HH TYR 51 -0.673 12.295 -0.286 403 H GLY 52 HN GLY 52 -3.271 7.901 6.309 404 1HA GLY 52 HA2 GLY 52 -2.401 5.964 8.178 405 2HA GLY 52 HA1 GLY 52 -4.065 6.160 7.659 406 H PHE 53 HN PHE 53 -2.690 5.723 4.797 407 HA PHE 53 HA PHE 53 -2.185 2.833 4.971 408 1HB PHE 53 HB2 PHE 53 -4.776 3.668 4.728 409 2HB PHE 53 HB1 PHE 53 -4.312 3.412 3.054 410 HD1 PHE 53 HD2 PHE 53 -4.775 1.830 6.345 411 HD2 PHE 53 HD1 PHE 53 -3.708 1.204 2.248 412 HE1 PHE 53 HE2 PHE 53 -5.083 -0.591 6.637 413 HE2 PHE 53 HE1 PHE 53 -4.023 -1.219 2.523 414 HZ PHE 53 HZ PHE 53 -4.706 -2.140 4.729 415 H VAL 54 HN VAL 54 -1.007 2.081 3.210 416 HA VAL 54 HA VAL 54 -0.747 3.917 0.854 417 HB VAL 54 HB VAL 54 1.582 2.454 2.080 418 1HG1 VAL 54 HG11 VAL 54 1.198 3.631 -0.421 419 2HG1 VAL 54 HG13 VAL 54 2.136 4.809 0.491 420 3HG1 VAL 54 HG12 VAL 54 2.742 3.168 0.294 421 1HG2 VAL 54 HG21 VAL 54 0.732 4.203 3.642 422 2HG2 VAL 54 HG23 VAL 54 2.320 4.608 2.991 423 3HG2 VAL 54 HG22 VAL 54 0.878 5.392 2.347 424 H ILE 55 HN ILE 55 -1.706 2.662 -0.705 425 HA ILE 55 HA ILE 55 -1.115 -0.249 -0.797 426 HB ILE 55 HB ILE 55 -2.684 1.168 -2.938 427 1HG1 ILE 55 HG12 ILE 55 -3.463 0.868 -0.051 428 2HG1 ILE 55 HG11 ILE 55 -3.738 2.228 -1.140 429 1HG2 ILE 55 HG21 ILE 55 -2.124 -1.370 -2.704 430 2HG2 ILE 55 HG23 ILE 55 -3.366 -1.361 -1.452 431 3HG2 ILE 55 HG22 ILE 55 -3.777 -0.907 -3.105 432 1HD1 ILE 55 HD12 ILE 55 -5.204 0.531 -2.484 433 2HD1 ILE 55 HD11 ILE 55 -5.213 -0.389 -0.979 434 3HD1 ILE 55 HD13 ILE 55 -5.864 1.248 -1.015 435 H SER 56 HN SER 56 1.234 0.537 -1.123 436 HA SER 56 HA SER 56 1.774 1.360 -3.930 437 1HB SER 56 HB2 SER 56 2.938 2.696 -2.280 438 2HB SER 56 HB1 SER 56 3.537 1.256 -1.471 439 HG SER 56 HG SER 56 5.146 2.011 -2.806 440 H ASP 57 HN ASP 57 3.138 0.099 -5.255 441 HA ASP 57 HA ASP 57 3.441 -2.727 -4.342 442 1HB ASP 57 HB2 ASP 57 3.333 -3.333 -6.730 443 2HB ASP 57 HB1 ASP 57 1.896 -2.433 -6.244 444 CH2 TRP 58 CH2 TRP 58 10.065 -7.203 -2.377 445 H TRP 58 HN TRP 58 5.282 -3.866 -5.550 446 HA TRP 58 HA TRP 58 7.790 -2.874 -4.861 447 1HB TRP 58 HB2 TRP 58 6.844 -5.116 -6.148 448 2HB TRP 58 HB1 TRP 58 7.749 -4.326 -7.434 449 HD1 TRP 58 HD1 TRP 58 10.363 -4.123 -7.166 450 HE1 TRP 58 HE1 TRP 58 12.045 -5.295 -5.601 451 HE3 TRP 58 HE3 TRP 58 7.145 -6.063 -3.712 452 HZ2 TRP 58 HZ2 TRP 58 12.022 -6.852 -3.200 453 HZ3 TRP 58 HZ3 TRP 58 8.004 -7.381 -1.795 454 HH2 TRP 58 HH2 TRP 58 10.430 -7.779 -1.545 455 H ASN 59 HN ASN 59 9.565 -2.247 -6.536 456 HA ASN 59 HA ASN 59 8.515 -0.559 -8.731 457 1HB ASN 59 HB2 ASN 59 9.439 0.496 -6.219 458 2HB ASN 59 HB1 ASN 59 10.548 0.983 -7.503 459 1HD2 ASN 59 HD22 ASN 59 6.671 2.322 -7.592 460 2HD2 ASN 59 HD21 ASN 59 7.073 0.995 -6.614 461 H MET 60 HN MET 60 9.716 -0.940 -10.492 462 HA MET 60 HA MET 60 12.183 -2.463 -10.299 463 1HB MET 60 HB2 MET 60 10.292 -1.696 -12.385 464 2HB MET 60 HB1 MET 60 11.968 -1.615 -12.929 465 1HG MET 60 HG2 MET 60 10.945 -3.873 -13.259 466 2HG MET 60 HG1 MET 60 12.358 -3.908 -12.206 467 1HE MET 60 HE3 MET 60 10.134 -6.145 -12.476 468 2HE MET 60 HE2 MET 60 8.763 -6.052 -11.374 469 3HE MET 60 HE1 MET 60 8.859 -4.950 -12.746 470 HA PRO 61 HA PRO 61 13.996 1.682 -12.033 471 1HB PRO 61 HB2 PRO 61 12.589 3.838 -10.740 472 2HB PRO 61 HB1 PRO 61 12.739 3.516 -12.473 473 1HG PRO 61 HG2 PRO 61 10.394 3.220 -10.874 474 2HG PRO 61 HG1 PRO 61 10.594 2.752 -12.568 475 1HD PRO 61 HD2 PRO 61 10.460 1.062 -10.207 476 2HD PRO 61 HD1 PRO 61 10.431 0.573 -11.915 477 H ASN 62 HN ASN 62 15.839 1.900 -10.875 478 HA ASN 62 HA ASN 62 17.266 1.877 -9.001 479 1HB ASN 62 HB2 ASN 62 17.121 3.883 -7.725 480 2HB ASN 62 HB1 ASN 62 16.490 4.295 -9.320 481 1HD2 ASN 62 HD22 ASN 62 13.222 4.968 -8.145 482 2HD2 ASN 62 HD21 ASN 62 14.246 4.844 -9.493 483 H MET 63 HN MET 63 16.547 2.643 -6.296 484 HA MET 63 HA MET 63 16.002 0.193 -5.107 485 1HB MET 63 HB2 MET 63 15.880 3.004 -4.270 486 2HB MET 63 HB1 MET 63 14.783 1.961 -3.365 487 1HG MET 63 HG2 MET 63 17.081 2.122 -2.357 488 2HG MET 63 HG1 MET 63 16.598 0.475 -2.759 489 1HE MET 63 HE2 MET 63 19.309 1.340 -2.064 490 2HE MET 63 HE1 MET 63 19.325 -0.286 -2.741 491 3HE MET 63 HE3 MET 63 20.483 0.924 -3.310 492 H ASP 64 HN ASP 64 14.060 -0.709 -4.155 493 HA ASP 64 HA ASP 64 11.648 -0.121 -5.782 494 1HB ASP 64 HB2 ASP 64 10.816 -2.285 -4.690 495 2HB ASP 64 HB1 ASP 64 12.166 -2.439 -5.813 496 H GLY 65 HN GLY 65 9.673 -1.069 -4.017 497 1HA GLY 65 HA2 GLY 65 9.338 1.274 -2.338 498 2HA GLY 65 HA1 GLY 65 8.212 -0.069 -2.448 499 H LEU 66 HN LEU 66 11.229 -1.362 -1.861 500 HA LEU 66 HA LEU 66 10.525 -2.092 0.850 501 1HB LEU 66 HB2 LEU 66 12.539 -2.815 -1.095 502 2HB LEU 66 HB1 LEU 66 13.299 -2.536 0.468 503 HG LEU 66 HG LEU 66 12.563 -4.898 0.168 504 1HD1 LEU 66 HD11 LEU 66 12.321 -3.340 2.401 505 2HD1 LEU 66 HD13 LEU 66 10.681 -3.959 2.241 506 3HD1 LEU 66 HD12 LEU 66 12.033 -5.078 2.373 507 1HD2 LEU 66 HD22 LEU 66 10.345 -3.767 -1.029 508 2HD2 LEU 66 HD21 LEU 66 10.473 -5.448 -0.524 509 3HD2 LEU 66 HD23 LEU 66 9.716 -4.269 0.540 510 H GLU 67 HN GLU 67 13.203 -0.077 -0.437 511 HA GLU 67 HA GLU 67 14.147 0.871 2.042 512 1HB GLU 67 HB2 GLU 67 14.350 1.681 -0.747 513 2HB GLU 67 HB1 GLU 67 14.272 3.084 0.319 514 1HG GLU 67 HG2 GLU 67 16.155 0.745 0.732 515 2HG GLU 67 HG1 GLU 67 16.611 2.250 -0.065 516 H LEU 68 HN LEU 68 11.149 1.345 0.512 517 HA LEU 68 HA LEU 68 10.455 3.900 1.718 518 1HB LEU 68 HB2 LEU 68 9.393 2.484 -0.324 519 2HB LEU 68 HB1 LEU 68 8.351 1.927 0.977 520 HG LEU 68 HG LEU 68 7.937 4.344 1.583 521 1HD1 LEU 68 HD12 LEU 68 9.760 4.694 -0.739 522 2HD1 LEU 68 HD11 LEU 68 8.356 5.756 -0.681 523 3HD1 LEU 68 HD13 LEU 68 9.499 5.735 0.657 524 1HD2 LEU 68 HD22 LEU 68 6.417 2.892 0.149 525 2HD2 LEU 68 HD21 LEU 68 6.247 4.627 -0.104 526 3HD2 LEU 68 HD23 LEU 68 7.152 3.654 -1.261 527 H LEU 69 HN LEU 69 9.203 0.602 2.263 528 HA LEU 69 HA LEU 69 7.808 0.941 4.632 529 1HB LEU 69 HB2 LEU 69 8.850 -1.209 3.188 530 2HB LEU 69 HB1 LEU 69 9.536 -1.392 4.797 531 HG LEU 69 HG LEU 69 6.590 -1.015 4.216 532 1HD1 LEU 69 HD13 LEU 69 8.299 -3.360 4.088 533 2HD1 LEU 69 HD12 LEU 69 7.067 -3.553 5.333 534 3HD1 LEU 69 HD11 LEU 69 6.593 -3.205 3.670 535 1HD2 LEU 69 HD22 LEU 69 8.148 -0.897 6.651 536 2HD2 LEU 69 HD21 LEU 69 6.414 -0.659 6.442 537 3HD2 LEU 69 HD23 LEU 69 7.056 -2.280 6.712 538 H LYS 70 HN LYS 70 11.218 -0.123 4.543 539 HA LYS 70 HA LYS 70 11.839 0.194 7.242 540 1HB LYS 70 HB2 LYS 70 13.321 0.021 4.769 541 2HB LYS 70 HB1 LYS 70 14.091 1.183 5.849 542 1HG LYS 70 HG2 LYS 70 14.118 -0.476 7.656 543 2HG LYS 70 HG1 LYS 70 13.291 -1.639 6.618 544 1HD LYS 70 HD2 LYS 70 15.516 -0.726 5.138 545 2HD LYS 70 HD1 LYS 70 16.111 -1.037 6.769 546 1HE LYS 70 HE2 LYS 70 14.985 -3.281 6.685 547 2HE LYS 70 HE1 LYS 70 14.591 -2.967 4.995 548 1HZ LYS 70 HZ1 LYS 70 17.279 -2.401 5.281 549 2HZ LYS 70 HZ3 LYS 70 17.032 -3.855 6.119 550 3HZ LYS 70 HZ2 LYS 70 16.589 -3.733 4.483 551 H THR 71 HN THR 71 11.870 2.722 4.723 552 HA THR 71 HA THR 71 12.735 4.806 6.535 553 HB THR 71 HB THR 71 11.396 4.859 3.822 554 HG1 THR 71 HG1 THR 71 13.616 4.221 4.039 555 1HG2 THR 71 HG23 THR 71 12.062 7.075 5.731 556 2HG2 THR 71 HG22 THR 71 12.234 7.349 3.996 557 3HG2 THR 71 HG21 THR 71 10.666 6.899 4.669 558 H ILE 72 HN ILE 72 9.670 3.346 5.775 559 HA ILE 72 HA ILE 72 8.070 5.524 6.899 560 HB ILE 72 HB ILE 72 7.400 2.669 6.140 561 1HG1 ILE 72 HG12 ILE 72 6.390 5.172 4.797 562 2HG1 ILE 72 HG11 ILE 72 7.993 4.562 4.400 563 1HG2 ILE 72 HG22 ILE 72 5.744 4.894 7.309 564 2HG2 ILE 72 HG21 ILE 72 5.000 3.691 6.256 565 3HG2 ILE 72 HG23 ILE 72 5.779 3.188 7.757 566 1HD1 ILE 72 HD11 ILE 72 5.951 2.455 4.397 567 2HD1 ILE 72 HD13 ILE 72 5.618 3.727 3.229 568 3HD1 ILE 72 HD12 ILE 72 7.144 2.850 3.172 569 NH1 ARG 73 NH2 ARG 73 10.905 -3.221 10.529 570 NH2 ARG 73 NH1 ARG 73 11.364 -3.525 12.721 571 H ARG 73 HN ARG 73 9.984 3.045 8.146 572 HA ARG 73 HA ARG 73 8.368 2.587 10.566 573 1HB ARG 73 HB2 ARG 73 10.039 0.951 9.302 574 2HB ARG 73 HB1 ARG 73 11.231 1.743 10.333 575 1HG ARG 73 HG2 ARG 73 9.570 1.260 12.268 576 2HG ARG 73 HG1 ARG 73 8.827 0.114 11.150 577 1HD ARG 73 HD2 ARG 73 11.481 -0.513 10.876 578 2HD ARG 73 HD1 ARG 73 11.406 -0.055 12.578 579 HE ARG 73 HE ARG 73 9.318 -1.734 12.477 580 1HH1 ARG 73 HH21 ARG 73 10.491 -2.679 9.798 581 2HH1 ARG 73 HH22 ARG 73 11.382 -4.073 10.311 582 1HH2 ARG 73 HH11 ARG 73 11.301 -3.215 13.670 583 2HH2 ARG 73 HH12 ARG 73 11.840 -4.376 12.503 584 H ALA 74 HN ALA 74 11.388 4.237 9.662 585 HA ALA 74 HA ALA 74 11.887 5.160 12.384 586 1HB ALA 74 HB3 ALA 74 13.367 4.998 10.006 587 2HB ALA 74 HB2 ALA 74 13.200 6.726 10.320 588 3HB ALA 74 HB1 ALA 74 13.914 5.672 11.541 589 H ASP 75 HN ASP 75 10.147 6.333 9.601 590 HA ASP 75 HA ASP 75 10.055 9.086 10.001 591 1HB ASP 75 HB2 ASP 75 8.853 7.860 8.187 592 2HB ASP 75 HB1 ASP 75 7.657 7.337 9.373 593 H GLY 76 HN GLY 76 9.867 10.055 11.970 594 1HA GLY 76 HA2 GLY 76 9.095 10.494 14.152 595 2HA GLY 76 HA1 GLY 76 7.507 10.264 13.418 596 H ALA 77 HN ALA 77 9.913 7.704 13.607 597 HA ALA 77 HA ALA 77 9.699 5.554 14.547 598 1HB ALA 77 HB3 ALA 77 10.335 7.073 16.496 599 2HB ALA 77 HB2 ALA 77 8.625 7.081 16.928 600 3HB ALA 77 HB1 ALA 77 9.529 5.567 16.935 601 H MET 78 HN MET 78 7.653 5.729 12.905 602 HA MET 78 HA MET 78 5.107 5.454 14.372 603 1HB MET 78 HB2 MET 78 5.907 5.666 11.496 604 2HB MET 78 HB1 MET 78 4.364 4.906 11.885 605 1HG MET 78 HG2 MET 78 5.103 7.543 13.130 606 2HG MET 78 HG1 MET 78 4.426 7.490 11.503 607 1HE MET 78 HE1 MET 78 2.716 9.084 12.524 608 2HE MET 78 HE3 MET 78 1.968 8.042 11.306 609 3HE MET 78 HE2 MET 78 1.114 8.407 12.804 610 H SER 79 HN SER 79 6.771 3.478 11.907 611 HA SER 79 HA SER 79 6.701 1.145 11.575 612 1HB SER 79 HB2 SER 79 6.667 0.625 14.487 613 2HB SER 79 HB1 SER 79 7.804 0.073 13.259 614 HG SER 79 HG SER 79 8.991 1.531 14.278 615 H ALA 80 HN ALA 80 4.113 2.545 11.927 616 HA ALA 80 HA ALA 80 2.506 0.152 12.648 617 1HB ALA 80 HB1 ALA 80 2.754 2.090 14.493 618 2HB ALA 80 HB3 ALA 80 1.438 2.782 13.543 619 3HB ALA 80 HB2 ALA 80 1.256 1.187 14.272 620 H LEU 81 HN LEU 81 2.797 3.222 10.943 621 HA LEU 81 HA LEU 81 0.282 3.524 9.835 622 1HB LEU 81 HB2 LEU 81 2.683 4.678 9.338 623 2HB LEU 81 HB1 LEU 81 2.477 3.728 7.867 624 HG LEU 81 HG LEU 81 0.159 4.704 7.645 625 1HD1 LEU 81 HD13 LEU 81 1.032 6.051 10.146 626 2HD1 LEU 81 HD12 LEU 81 0.231 7.079 8.962 627 3HD1 LEU 81 HD11 LEU 81 -0.590 5.653 9.588 628 1HD2 LEU 81 HD22 LEU 81 2.705 6.249 7.445 629 2HD2 LEU 81 HD21 LEU 81 1.601 5.730 6.171 630 3HD2 LEU 81 HD23 LEU 81 1.195 7.119 7.179 631 HA PRO 82 HA PRO 82 0.017 -0.648 8.051 632 1HB PRO 82 HB2 PRO 82 -2.474 0.025 6.796 633 2HB PRO 82 HB1 PRO 82 -2.202 -1.023 8.187 634 1HG PRO 82 HG2 PRO 82 -3.354 1.605 8.181 635 2HG PRO 82 HG1 PRO 82 -3.032 0.575 9.580 636 1HD PRO 82 HD2 PRO 82 -1.640 2.964 8.779 637 2HD PRO 82 HD1 PRO 82 -1.332 1.939 10.199 638 H VAL 83 HN VAL 83 1.432 -0.805 6.360 639 HA VAL 83 HA VAL 83 0.743 0.575 3.785 640 HB VAL 83 HB VAL 83 3.340 -0.299 5.015 641 1HG1 VAL 83 HG12 VAL 83 2.664 -0.438 2.066 642 2HG1 VAL 83 HG11 VAL 83 4.308 -0.128 2.606 643 3HG1 VAL 83 HG13 VAL 83 3.512 -1.633 3.053 644 1HG2 VAL 83 HG21 VAL 83 2.192 2.154 4.253 645 2HG2 VAL 83 HG23 VAL 83 3.810 1.854 4.856 646 3HG2 VAL 83 HG22 VAL 83 3.514 1.840 3.124 647 H LEU 84 HN LEU 84 -0.246 -0.798 2.380 648 HA LEU 84 HA LEU 84 0.258 -3.677 2.798 649 1HB LEU 84 HB2 LEU 84 -2.120 -2.574 2.470 650 2HB LEU 84 HB1 LEU 84 -1.694 -2.683 0.769 651 HG LEU 84 HG LEU 84 -2.845 -4.702 1.311 652 1HD1 LEU 84 HD13 LEU 84 -0.710 -4.895 -0.042 653 2HD1 LEU 84 HD12 LEU 84 0.082 -5.462 1.427 654 3HD1 LEU 84 HD11 LEU 84 -1.247 -6.380 0.737 655 1HD2 LEU 84 HD23 LEU 84 -2.042 -4.361 3.889 656 2HD2 LEU 84 HD22 LEU 84 -2.643 -5.898 3.272 657 3HD2 LEU 84 HD21 LEU 84 -0.907 -5.613 3.383 658 H MET 85 HN MET 85 2.131 -4.178 1.811 659 HA MET 85 HA MET 85 2.847 -2.889 -0.705 660 1HB MET 85 HB2 MET 85 4.222 -4.264 1.344 661 2HB MET 85 HB1 MET 85 4.415 -5.258 -0.101 662 1HG MET 85 HG2 MET 85 5.014 -2.294 0.110 663 2HG MET 85 HG1 MET 85 6.212 -3.586 0.024 664 1HE MET 85 HE3 MET 85 6.527 -1.403 -1.438 665 2HE MET 85 HE2 MET 85 6.629 -1.712 -3.169 666 3HE MET 85 HE1 MET 85 5.220 -0.883 -2.511 667 H VAL 86 HN VAL 86 1.762 -3.506 -2.494 668 HA VAL 86 HA VAL 86 0.881 -6.331 -2.764 669 HB VAL 86 HB VAL 86 -0.949 -4.933 -3.137 670 1HG1 VAL 86 HG12 VAL 86 1.111 -3.071 -4.142 671 2HG1 VAL 86 HG11 VAL 86 -0.493 -2.940 -4.863 672 3HG1 VAL 86 HG13 VAL 86 -0.292 -2.764 -3.121 673 1HG2 VAL 86 HG21 VAL 86 -0.281 -6.496 -5.084 674 2HG2 VAL 86 HG23 VAL 86 -1.510 -5.273 -5.394 675 3HG2 VAL 86 HG22 VAL 86 0.144 -5.008 -5.934 676 H THR 87 HN THR 87 1.610 -7.637 -4.480 677 HA THR 87 HA THR 87 3.228 -6.351 -6.604 678 HB THR 87 HB THR 87 4.904 -6.778 -4.866 679 HG1 THR 87 HG1 THR 87 4.929 -8.577 -7.054 680 1HG2 THR 87 HG23 THR 87 3.570 -8.647 -3.799 681 2HG2 THR 87 HG22 THR 87 4.148 -9.697 -5.091 682 3HG2 THR 87 HG21 THR 87 5.295 -8.967 -3.967 683 H ALA 88 HN ALA 88 2.977 -7.407 -8.517 684 HA ALA 88 HA ALA 88 1.155 -9.653 -8.663 685 1HB ALA 88 HB2 ALA 88 2.426 -7.807 -10.502 686 2HB ALA 88 HB1 ALA 88 2.542 -9.457 -11.111 687 3HB ALA 88 HB3 ALA 88 0.964 -8.767 -10.731 688 H GLU 89 HN GLU 89 4.597 -9.347 -9.627 689 HA GLU 89 HA GLU 89 4.922 -12.247 -9.692 690 1HB GLU 89 HB2 GLU 89 6.208 -10.445 -11.065 691 2HB GLU 89 HB1 GLU 89 7.191 -10.260 -9.611 692 1HG GLU 89 HG2 GLU 89 8.412 -11.953 -10.534 693 2HG GLU 89 HG1 GLU 89 7.151 -12.973 -9.838 694 H ALA 90 HN ALA 90 4.028 -12.246 -7.331 695 HA ALA 90 HA ALA 90 5.828 -11.404 -5.220 696 1HB ALA 90 HB2 ALA 90 3.178 -12.240 -5.366 697 2HB ALA 90 HB1 ALA 90 3.981 -13.545 -4.498 698 3HB ALA 90 HB3 ALA 90 4.072 -11.893 -3.888 699 H LYS 91 HN LYS 91 7.797 -12.380 -5.057 700 HA LYS 91 HA LYS 91 8.058 -15.253 -5.704 701 1HB LYS 91 HB2 LYS 91 9.742 -13.109 -6.086 702 2HB LYS 91 HB1 LYS 91 10.404 -13.824 -4.618 703 1HG LYS 91 HG2 LYS 91 11.547 -15.003 -6.276 704 2HG LYS 91 HG1 LYS 91 10.194 -16.084 -5.950 705 1HD LYS 91 HD2 LYS 91 8.951 -15.072 -7.848 706 2HD LYS 91 HD1 LYS 91 10.339 -14.037 -8.185 707 1HE LYS 91 HE2 LYS 91 10.842 -15.763 -9.621 708 2HE LYS 91 HE1 LYS 91 11.602 -16.402 -8.163 709 1HZ LYS 91 HZ1 LYS 91 8.803 -16.996 -8.320 710 2HZ LYS 91 HZ3 LYS 91 9.676 -17.642 -9.622 711 3HZ LYS 91 HZ2 LYS 91 10.117 -18.033 -8.028 712 H LYS 92 HN LYS 92 8.220 -16.815 -4.132 713 HA LYS 92 HA LYS 92 7.385 -16.446 -1.505 714 1HB LYS 92 HB2 LYS 92 8.414 -18.579 -3.003 715 2HB LYS 92 HB1 LYS 92 9.479 -18.461 -1.602 716 1HG LYS 92 HG2 LYS 92 7.401 -18.366 -0.155 717 2HG LYS 92 HG1 LYS 92 6.468 -18.769 -1.597 718 1HD LYS 92 HD2 LYS 92 8.310 -20.705 -1.774 719 2HD LYS 92 HD1 LYS 92 8.356 -20.463 -0.027 720 1HE LYS 92 HE2 LYS 92 6.655 -22.042 -0.210 721 2HE LYS 92 HE1 LYS 92 5.728 -20.541 -0.249 722 1HZ LYS 92 HZ2 LYS 92 6.650 -21.251 -2.842 723 2HZ LYS 92 HZ1 LYS 92 5.746 -22.518 -2.160 724 3HZ LYS 92 HZ3 LYS 92 5.062 -20.972 -2.305 725 H GLU 93 HN GLU 93 10.494 -15.677 -2.863 726 HA GLU 93 HA GLU 93 11.745 -15.420 -0.238 727 1HB GLU 93 HB2 GLU 93 12.796 -16.112 -2.609 728 2HB GLU 93 HB1 GLU 93 13.089 -14.373 -2.669 729 1HG GLU 93 HG2 GLU 93 14.000 -14.694 -0.240 730 2HG GLU 93 HG1 GLU 93 14.129 -16.393 -0.697 731 H ASN 94 HN ASN 94 10.988 -13.238 -2.976 732 HA ASN 94 HA ASN 94 11.759 -10.854 -1.610 733 1HB ASN 94 HB2 ASN 94 9.848 -11.320 -3.908 734 2HB ASN 94 HB1 ASN 94 10.344 -9.725 -3.357 735 1HD2 ASN 94 HD22 ASN 94 13.327 -9.845 -5.203 736 2HD2 ASN 94 HD21 ASN 94 12.117 -8.906 -4.471 737 H ILE 95 HN ILE 95 8.713 -12.640 -1.692 738 HA ILE 95 HA ILE 95 7.015 -10.654 -0.607 739 HB ILE 95 HB ILE 95 7.024 -13.661 -0.262 740 1HG1 ILE 95 HG12 ILE 95 5.181 -11.822 -1.824 741 2HG1 ILE 95 HG11 ILE 95 6.581 -12.628 -2.530 742 1HG2 ILE 95 HG23 ILE 95 5.115 -11.556 0.771 743 2HG2 ILE 95 HG22 ILE 95 4.586 -13.209 0.475 744 3HG2 ILE 95 HG21 ILE 95 5.849 -12.890 1.658 745 1HD1 ILE 95 HD13 ILE 95 5.046 -14.572 -1.085 746 2HD1 ILE 95 HD12 ILE 95 3.964 -13.684 -2.155 747 3HD1 ILE 95 HD11 ILE 95 5.378 -14.505 -2.815 748 H ILE 96 HN ILE 96 9.632 -12.396 0.846 749 HA ILE 96 HA ILE 96 8.718 -11.808 3.585 750 HB ILE 96 HB ILE 96 11.483 -12.776 2.879 751 1HG1 ILE 96 HG12 ILE 96 10.086 -14.209 1.538 752 2HG1 ILE 96 HG11 ILE 96 10.508 -15.115 2.991 753 1HG2 ILE 96 HG22 ILE 96 10.275 -12.247 5.264 754 2HG2 ILE 96 HG21 ILE 96 9.886 -13.956 5.075 755 3HG2 ILE 96 HG23 ILE 96 11.567 -13.428 5.062 756 1HD1 ILE 96 HD12 ILE 96 8.278 -14.082 3.938 757 2HD1 ILE 96 HD11 ILE 96 7.881 -13.879 2.233 758 3HD1 ILE 96 HD13 ILE 96 8.211 -15.486 2.874 759 H ALA 97 HN ALA 97 10.529 -10.274 1.111 760 HA ALA 97 HA ALA 97 12.317 -8.739 2.749 761 1HB ALA 97 HB3 ALA 97 11.722 -8.964 -0.016 762 2HB ALA 97 HB2 ALA 97 11.560 -7.264 0.419 763 3HB ALA 97 HB1 ALA 97 13.070 -8.112 0.734 764 H ALA 98 HN ALA 98 9.082 -8.007 1.408 765 HA ALA 98 HA ALA 98 8.905 -5.393 2.596 766 1HB ALA 98 HB3 ALA 98 6.656 -7.313 1.920 767 2HB ALA 98 HB2 ALA 98 6.470 -5.594 2.267 768 3HB ALA 98 HB1 ALA 98 7.339 -6.113 0.822 769 H ALA 99 HN ALA 99 7.489 -8.506 3.603 770 HA ALA 99 HA ALA 99 6.537 -7.563 6.087 771 1HB ALA 99 HB3 ALA 99 6.314 -9.907 4.746 772 2HB ALA 99 HB2 ALA 99 7.492 -10.374 5.974 773 3HB ALA 99 HB1 ALA 99 5.919 -9.738 6.457 774 H GLN 100 HN GLN 100 9.747 -8.691 5.076 775 HA GLN 100 HA GLN 100 10.893 -9.152 7.633 776 1HB GLN 100 HB2 GLN 100 11.947 -8.297 4.984 777 2HB GLN 100 HB1 GLN 100 12.959 -7.923 6.374 778 1HG GLN 100 HG2 GLN 100 11.784 -10.672 6.092 779 2HG GLN 100 HG1 GLN 100 13.229 -10.242 5.177 780 1HE2 GLN 100 HE22 GLN 100 14.859 -11.400 8.155 781 2HE2 GLN 100 HE21 GLN 100 14.356 -11.879 6.606 782 H ALA 101 HN ALA 101 10.052 -6.257 5.878 783 HA ALA 101 HA ALA 101 11.138 -4.444 7.937 784 1HB ALA 101 HB1 ALA 101 10.195 -4.185 5.233 785 2HB ALA 101 HB3 ALA 101 9.187 -3.169 6.263 786 3HB ALA 101 HB2 ALA 101 10.934 -2.942 6.242 787 H GLY 102 HN GLY 102 8.331 -6.187 7.067 788 1HA GLY 102 HA2 GLY 102 6.387 -6.675 8.212 789 2HA GLY 102 HA1 GLY 102 7.116 -5.906 9.605 790 H ALA 103 HN ALA 103 5.433 -5.091 6.522 791 HA ALA 103 HA ALA 103 4.714 -2.479 7.741 792 1HB ALA 103 HB2 ALA 103 4.346 -3.837 5.086 793 2HB ALA 103 HB1 ALA 103 3.390 -2.427 5.492 794 3HB ALA 103 HB3 ALA 103 5.105 -2.311 5.437 795 H SER 104 HN SER 104 2.346 -3.564 5.776 796 HA SER 104 HA SER 104 0.472 -4.151 8.013 797 1HB SER 104 HB2 SER 104 -0.092 -3.793 5.058 798 2HB SER 104 HB1 SER 104 -1.304 -4.007 6.308 799 HG SER 104 HG SER 104 -1.122 -1.973 6.754 800 H GLY 105 HN GLY 105 1.437 -5.324 4.902 801 1HA GLY 105 HA2 GLY 105 2.005 -7.982 5.381 802 2HA GLY 105 HA1 GLY 105 0.262 -7.955 5.137 803 OH TYR 106 OH TYR 106 1.551 -12.815 -3.354 804 H TYR 106 HN TYR 106 0.907 -9.252 3.137 805 HA TYR 106 HA TYR 106 1.465 -7.341 0.916 806 1HB TYR 106 HB2 TYR 106 3.406 -8.411 0.504 807 2HB TYR 106 HB1 TYR 106 3.034 -9.661 1.691 808 HD1 TYR 106 HD1 TYR 106 2.321 -8.590 -1.838 809 HD2 TYR 106 HD2 TYR 106 2.312 -11.808 1.011 810 HE1 TYR 106 HE1 TYR 106 1.851 -10.212 -3.648 811 HE2 TYR 106 HE2 TYR 106 1.836 -13.417 -0.803 812 HH TYR 106 HH TYR 106 1.370 -13.669 -2.953 813 H VAL 107 HN VAL 107 0.535 -7.885 -1.079 814 HA VAL 107 HA VAL 107 -1.384 -10.153 -1.111 815 HB VAL 107 HB VAL 107 -2.637 -8.163 -0.260 816 1HG1 VAL 107 HG11 VAL 107 -1.092 -6.598 -1.574 817 2HG1 VAL 107 HG13 VAL 107 -2.101 -6.951 -2.972 818 3HG1 VAL 107 HG12 VAL 107 -2.802 -6.174 -1.551 819 1HG2 VAL 107 HG23 VAL 107 -3.313 -9.033 -3.093 820 2HG2 VAL 107 HG22 VAL 107 -3.842 -9.820 -1.609 821 3HG2 VAL 107 HG21 VAL 107 -4.421 -8.202 -2.004 822 H VAL 108 HN VAL 108 -1.882 -10.789 -3.297 823 HA VAL 108 HA VAL 108 0.163 -9.926 -5.201 824 HB VAL 108 HB VAL 108 -1.986 -11.519 -6.366 825 1HG1 VAL 108 HG12 VAL 108 0.419 -11.295 -7.114 826 2HG1 VAL 108 HG11 VAL 108 0.872 -12.274 -5.720 827 3HG1 VAL 108 HG13 VAL 108 -0.155 -12.958 -6.978 828 1HG2 VAL 108 HG21 VAL 108 -0.738 -12.466 -3.771 829 2HG2 VAL 108 HG23 VAL 108 -2.455 -12.303 -4.136 830 3HG2 VAL 108 HG22 VAL 108 -1.498 -13.553 -4.931 831 H LYS 109 HN LYS 109 -1.156 -9.815 -7.624 832 HA LYS 109 HA LYS 109 -3.483 -8.067 -7.412 833 1HB LYS 109 HB2 LYS 109 -2.490 -6.053 -7.590 834 2HB LYS 109 HB1 LYS 109 -0.971 -6.869 -7.254 835 1HG LYS 109 HG2 LYS 109 -0.671 -7.256 -9.710 836 2HG LYS 109 HG1 LYS 109 -2.136 -6.307 -9.999 837 1HD LYS 109 HD2 LYS 109 -1.137 -4.341 -9.034 838 2HD LYS 109 HD1 LYS 109 0.261 -5.261 -8.476 839 1HE LYS 109 HE2 LYS 109 0.608 -3.922 -10.619 840 2HE LYS 109 HE1 LYS 109 1.027 -5.633 -10.712 841 1HZ LYS 109 HZ2 LYS 109 -1.647 -4.612 -11.467 842 2HZ LYS 109 HZ1 LYS 109 -0.369 -4.713 -12.581 843 3HZ LYS 109 HZ3 LYS 109 -0.955 -6.120 -11.836 844 HA PRO 110 HA PRO 110 -4.342 -6.489 -8.968 845 1HB PRO 110 HB2 PRO 110 -6.647 -7.120 -10.556 846 2HB PRO 110 HB1 PRO 110 -5.504 -5.793 -10.804 847 1HG PRO 110 HG2 PRO 110 -5.822 -8.085 -12.461 848 2HG PRO 110 HG1 PRO 110 -4.549 -6.862 -12.579 849 1HD PRO 110 HD2 PRO 110 -4.383 -9.604 -11.523 850 2HD PRO 110 HD1 PRO 110 -3.070 -8.500 -11.982 851 H PHE 111 HN PHE 111 -5.618 -6.712 -7.097 852 HA PHE 111 HA PHE 111 -6.816 -9.368 -6.589 853 1HB PHE 111 HB2 PHE 111 -7.428 -8.105 -4.343 854 2HB PHE 111 HB1 PHE 111 -5.788 -8.669 -4.617 855 HD1 PHE 111 HD2 PHE 111 -7.917 -5.669 -5.426 856 HD2 PHE 111 HD1 PHE 111 -4.106 -7.139 -4.148 857 HE1 PHE 111 HE2 PHE 111 -7.075 -3.363 -5.304 858 HE2 PHE 111 HE1 PHE 111 -3.266 -4.824 -3.993 859 HZ PHE 111 HZ PHE 111 -4.747 -2.924 -4.573 860 H THR 112 HN THR 112 -9.034 -9.464 -5.710 861 HA THR 112 HA THR 112 -10.830 -7.586 -7.158 862 HB THR 112 HB THR 112 -11.992 -9.832 -5.609 863 HG1 THR 112 HG1 THR 112 -9.845 -10.341 -6.925 864 1HG2 THR 112 HG21 THR 112 -13.218 -8.307 -7.192 865 2HG2 THR 112 HG23 THR 112 -12.287 -9.016 -8.510 866 3HG2 THR 112 HG22 THR 112 -13.390 -10.021 -7.570 867 H ALA 113 HN ALA 113 -12.334 -6.325 -5.899 868 HA ALA 113 HA ALA 113 -11.450 -5.370 -3.428 869 1HB ALA 113 HB2 ALA 113 -13.515 -4.682 -5.019 870 2HB ALA 113 HB1 ALA 113 -14.413 -5.554 -3.777 871 3HB ALA 113 HB3 ALA 113 -13.422 -4.164 -3.336 872 H ALA 114 HN ALA 114 -13.062 -8.359 -4.100 873 HA ALA 114 HA ALA 114 -13.857 -8.803 -1.324 874 1HB ALA 114 HB2 ALA 114 -14.306 -10.098 -3.836 875 2HB ALA 114 HB1 ALA 114 -13.553 -11.272 -2.756 876 3HB ALA 114 HB3 ALA 114 -15.050 -10.470 -2.280 877 H THR 115 HN THR 115 -11.132 -9.551 -3.418 878 HA THR 115 HA THR 115 -9.794 -11.258 -1.504 879 HB THR 115 HB THR 115 -8.918 -9.801 -3.983 880 HG1 THR 115 HG1 THR 115 -8.364 -12.319 -4.079 881 1HG2 THR 115 HG21 THR 115 -7.232 -11.247 -1.945 882 2HG2 THR 115 HG23 THR 115 -6.738 -11.132 -3.634 883 3HG2 THR 115 HG22 THR 115 -6.944 -9.667 -2.674 884 H LEU 116 HN LEU 116 -8.878 -7.888 -2.614 885 HA LEU 116 HA LEU 116 -7.102 -7.417 -0.510 886 1HB LEU 116 HB2 LEU 116 -8.438 -5.813 -2.449 887 2HB LEU 116 HB1 LEU 116 -8.687 -5.032 -0.893 888 HG LEU 116 HG LEU 116 -6.049 -5.703 -2.227 889 1HD1 LEU 116 HD12 LEU 116 -7.359 -3.562 -2.721 890 2HD1 LEU 116 HD11 LEU 116 -7.030 -3.096 -1.058 891 3HD1 LEU 116 HD13 LEU 116 -5.697 -3.346 -2.182 892 1HD2 LEU 116 HD21 LEU 116 -6.690 -5.408 0.634 893 2HD2 LEU 116 HD23 LEU 116 -5.241 -6.064 -0.132 894 3HD2 LEU 116 HD22 LEU 116 -5.421 -4.321 0.071 895 H GLU 117 HN GLU 117 -10.667 -7.261 -0.454 896 HA GLU 117 HA GLU 117 -11.004 -6.039 2.060 897 1HB GLU 117 HB2 GLU 117 -12.581 -7.956 0.418 898 2HB GLU 117 HB1 GLU 117 -13.068 -7.712 2.090 899 1HG GLU 117 HG2 GLU 117 -12.500 -5.294 0.418 900 2HG GLU 117 HG1 GLU 117 -14.023 -6.149 0.168 901 H GLU 118 HN GLU 118 -11.123 -9.541 1.415 902 HA GLU 118 HA GLU 118 -11.173 -10.554 3.971 903 1HB GLU 118 HB2 GLU 118 -11.160 -12.104 2.160 904 2HB GLU 118 HB1 GLU 118 -9.602 -11.519 1.575 905 1HG GLU 118 HG2 GLU 118 -9.725 -12.560 4.371 906 2HG GLU 118 HG1 GLU 118 -9.792 -13.736 3.056 907 H LYS 119 HN LYS 119 -8.269 -9.363 2.282 908 HA LYS 119 HA LYS 119 -6.524 -9.942 4.534 909 1HB LYS 119 HB2 LYS 119 -6.269 -8.421 1.957 910 2HB LYS 119 HB1 LYS 119 -5.051 -8.192 3.210 911 1HG LYS 119 HG2 LYS 119 -5.872 -10.968 2.378 912 2HG LYS 119 HG1 LYS 119 -4.686 -10.072 1.430 913 1HD LYS 119 HD2 LYS 119 -4.208 -10.038 4.350 914 2HD LYS 119 HD1 LYS 119 -4.056 -11.622 3.591 915 1HE LYS 119 HE2 LYS 119 -2.429 -10.786 2.014 916 2HE LYS 119 HE1 LYS 119 -2.689 -9.127 2.552 917 1HZ LYS 119 HZ2 LYS 119 -2.002 -10.969 4.662 918 2HZ LYS 119 HZ1 LYS 119 -0.779 -10.765 3.501 919 3HZ LYS 119 HZ3 LYS 119 -1.391 -9.418 4.331 920 H LEU 120 HN LEU 120 -8.423 -7.192 3.444 921 HA LEU 120 HA LEU 120 -7.279 -5.236 5.203 922 1HB LEU 120 HB2 LEU 120 -8.946 -4.986 3.171 923 2HB LEU 120 HB1 LEU 120 -10.175 -5.147 4.426 924 HG LEU 120 HG LEU 120 -8.640 -3.360 5.658 925 1HD1 LEU 120 HD11 LEU 120 -6.931 -3.341 3.870 926 2HD1 LEU 120 HD13 LEU 120 -8.156 -2.823 2.712 927 3HD1 LEU 120 HD12 LEU 120 -7.692 -1.760 4.039 928 1HD2 LEU 120 HD22 LEU 120 -10.641 -2.822 3.451 929 2HD2 LEU 120 HD21 LEU 120 -10.960 -2.939 5.182 930 3HD2 LEU 120 HD23 LEU 120 -10.050 -1.570 4.545 931 H ASN 121 HN ASN 121 -10.492 -6.798 5.511 932 HA ASN 121 HA ASN 121 -11.085 -6.058 8.113 933 1HB ASN 121 HB2 ASN 121 -12.424 -7.549 6.464 934 2HB ASN 121 HB1 ASN 121 -11.567 -8.893 7.220 935 1HD2 ASN 121 HD22 ASN 121 -13.826 -6.660 9.833 936 2HD2 ASN 121 HD21 ASN 121 -12.816 -5.867 8.723 937 H LYS 122 HN LYS 122 -9.312 -9.018 7.213 938 HA LYS 122 HA LYS 122 -8.712 -9.843 9.861 939 1HB LYS 122 HB2 LYS 122 -8.380 -11.204 7.756 940 2HB LYS 122 HB1 LYS 122 -6.930 -10.250 7.446 941 1HG LYS 122 HG2 LYS 122 -6.752 -11.077 10.143 942 2HG LYS 122 HG1 LYS 122 -7.267 -12.496 9.231 943 1HD LYS 122 HD2 LYS 122 -4.900 -10.738 8.519 944 2HD LYS 122 HD1 LYS 122 -4.792 -12.303 9.325 945 1HE LYS 122 HE2 LYS 122 -6.421 -12.715 7.055 946 2HE LYS 122 HE1 LYS 122 -5.060 -11.736 6.506 947 1HZ LYS 122 HZ1 LYS 122 -4.246 -13.807 8.293 948 2HZ LYS 122 HZ3 LYS 122 -5.042 -14.434 6.933 949 3HZ LYS 122 HZ2 LYS 122 -3.679 -13.441 6.735 950 H ILE 123 HN ILE 123 -7.294 -7.327 7.894 951 HA ILE 123 HA ILE 123 -4.897 -7.132 9.579 952 HB ILE 123 HB ILE 123 -5.959 -5.652 7.195 953 1HG1 ILE 123 HG12 ILE 123 -3.196 -6.724 7.817 954 2HG1 ILE 123 HG11 ILE 123 -4.468 -7.721 7.111 955 1HG2 ILE 123 HG22 ILE 123 -3.957 -4.642 9.216 956 2HG2 ILE 123 HG21 ILE 123 -3.857 -4.164 7.523 957 3HG2 ILE 123 HG23 ILE 123 -5.295 -3.772 8.464 958 1HD1 ILE 123 HD13 ILE 123 -3.818 -5.075 5.855 959 2HD1 ILE 123 HD12 ILE 123 -2.772 -6.458 5.541 960 3HD1 ILE 123 HD11 ILE 123 -4.480 -6.529 5.110 961 H PHE 124 HN PHE 124 -7.828 -5.134 9.029 962 HA PHE 124 HA PHE 124 -7.110 -3.178 10.979 963 1HB PHE 124 HB2 PHE 124 -9.688 -3.945 9.644 964 2HB PHE 124 HB1 PHE 124 -9.677 -2.766 10.955 965 HD1 PHE 124 HD1 PHE 124 -7.808 -3.598 7.827 966 HD2 PHE 124 HD2 PHE 124 -9.259 -0.514 10.434 967 HE1 PHE 124 HE1 PHE 124 -6.954 -1.879 6.263 968 HE2 PHE 124 HE2 PHE 124 -8.401 1.211 8.873 969 HZ PHE 124 HZ PHE 124 -7.255 0.524 6.783 970 H GLU 125 HN GLU 125 -7.589 -6.351 11.506 971 HA GLU 125 HA GLU 125 -9.259 -6.223 13.896 972 1HB GLU 125 HB2 GLU 125 -9.027 -8.337 12.629 973 2HB GLU 125 HB1 GLU 125 -7.295 -8.351 12.967 974 1HG GLU 125 HG2 GLU 125 -7.600 -9.135 15.070 975 2HG GLU 125 HG1 GLU 125 -8.941 -8.030 15.376 976 H LYS 126 HN LYS 126 -5.838 -6.066 13.103 977 HA LYS 126 HA LYS 126 -5.016 -5.967 15.922 978 1HB LYS 126 HB2 LYS 126 -3.611 -5.764 13.264 979 2HB LYS 126 HB1 LYS 126 -2.788 -5.242 14.735 980 1HG LYS 126 HG2 LYS 126 -3.153 -7.447 15.749 981 2HG LYS 126 HG1 LYS 126 -4.029 -7.976 14.313 982 1HD LYS 126 HD2 LYS 126 -1.940 -7.457 12.973 983 2HD LYS 126 HD1 LYS 126 -1.101 -7.229 14.508 984 1HE LYS 126 HE2 LYS 126 -2.428 -9.648 14.848 985 2HE LYS 126 HE1 LYS 126 -1.881 -9.709 13.173 986 1HZ LYS 126 HZ1 LYS 126 -0.169 -9.058 15.509 987 2HZ LYS 126 HZ3 LYS 126 -0.213 -10.559 14.720 988 3HZ LYS 126 HZ2 LYS 126 0.345 -9.183 13.894 989 H LEU 127 HN LEU 127 -5.612 -3.774 13.223 990 HA LEU 127 HA LEU 127 -4.592 -1.397 14.482 991 1HB LEU 127 HB2 LEU 127 -5.444 -1.913 11.981 992 2HB LEU 127 HB1 LEU 127 -6.932 -1.211 12.617 993 HG LEU 127 HG LEU 127 -4.189 0.089 12.725 994 1HD1 LEU 127 HD12 LEU 127 -5.152 -0.029 10.443 995 2HD1 LEU 127 HD11 LEU 127 -6.622 0.742 11.037 996 3HD1 LEU 127 HD13 LEU 127 -5.097 1.627 11.044 997 1HD2 LEU 127 HD21 LEU 127 -6.900 0.802 13.798 998 2HD2 LEU 127 HD23 LEU 127 -5.312 1.031 14.531 999 3HD2 LEU 127 HD22 LEU 127 -5.846 2.097 13.232 1000 H GLY 128 HN GLY 128 -7.556 -3.226 14.763 1001 1HA GLY 128 HA2 GLY 128 -9.235 -3.069 16.402 1002 2HA GLY 128 HA1 GLY 128 -8.287 -1.801 17.178 1003 H MET 129 HN MET 129 -10.575 -2.413 14.532 1004 HA MET 129 HA MET 129 -11.608 0.342 14.915 1005 1HB MET 129 HB2 MET 129 -10.128 -0.602 12.599 1006 2HB MET 129 HB1 MET 129 -11.752 -0.095 12.148 1007 1HG MET 129 HG2 MET 129 -9.796 1.564 13.768 1008 2HG MET 129 HG1 MET 129 -10.127 1.785 12.052 1009 1HE MET 129 HE1 MET 129 -12.263 1.957 11.093 1010 2HE MET 129 HE3 MET 129 -13.621 1.395 12.076 1011 3HE MET 129 HE2 MET 129 -13.485 3.098 11.647 Start of MODEL 38 Raw file had 1011 H/Q atoms Start of MODEL 38 1 H ALA 2 HN ALA 2 -14.478 -0.483 7.563 2 HA ALA 2 HA ALA 2 -13.570 0.896 9.846 3 1HB ALA 2 HB2 ALA 2 -11.938 -0.099 7.484 4 2HB ALA 2 HB1 ALA 2 -11.284 0.332 9.063 5 3HB ALA 2 HB3 ALA 2 -12.380 -1.041 8.908 6 H ASP 3 HN ASP 3 -14.249 3.108 9.623 7 HA ASP 3 HA ASP 3 -13.936 5.365 9.085 8 1HB ASP 3 HB2 ASP 3 -11.291 4.124 8.896 9 2HB ASP 3 HB1 ASP 3 -11.457 5.517 7.828 10 H LYS 4 HN LYS 4 -14.961 6.338 7.405 11 HA LYS 4 HA LYS 4 -14.851 5.060 4.744 12 1HB LYS 4 HB2 LYS 4 -16.471 7.381 5.821 13 2HB LYS 4 HB1 LYS 4 -16.608 6.770 4.180 14 1HG LYS 4 HG2 LYS 4 -16.843 4.473 5.744 15 2HG LYS 4 HG1 LYS 4 -17.727 5.693 6.661 16 1HD LYS 4 HD2 LYS 4 -19.084 6.237 4.706 17 2HD LYS 4 HD1 LYS 4 -18.155 5.114 3.713 18 1HE LYS 4 HE2 LYS 4 -19.372 3.360 4.422 19 2HE LYS 4 HE1 LYS 4 -19.140 3.810 6.112 20 1HZ LYS 4 HZ3 LYS 4 -21.053 5.240 4.371 21 2HZ LYS 4 HZ2 LYS 4 -21.498 3.834 5.214 22 3HZ LYS 4 HZ1 LYS 4 -20.987 5.213 6.065 23 H GLU 5 HN GLU 5 -12.735 6.952 6.170 24 HA GLU 5 HA GLU 5 -12.086 8.377 3.650 25 1HB GLU 5 HB2 GLU 5 -11.801 9.908 6.210 26 2HB GLU 5 HB1 GLU 5 -12.021 10.508 4.567 27 1HG GLU 5 HG2 GLU 5 -14.362 9.627 4.608 28 2HG GLU 5 HG1 GLU 5 -14.127 9.181 6.299 29 H LEU 6 HN LEU 6 -10.781 6.091 4.653 30 HA LEU 6 HA LEU 6 -8.478 6.965 6.181 31 1HB LEU 6 HB2 LEU 6 -9.491 4.640 6.311 32 2HB LEU 6 HB1 LEU 6 -8.864 4.347 4.699 33 HG LEU 6 HG LEU 6 -6.568 4.587 5.478 34 1HD1 LEU 6 HD13 LEU 6 -7.924 5.594 7.963 35 2HD1 LEU 6 HD12 LEU 6 -6.385 4.752 8.115 36 3HD1 LEU 6 HD11 LEU 6 -6.490 6.220 7.144 37 1HD2 LEU 6 HD23 LEU 6 -8.314 2.861 7.242 38 2HD2 LEU 6 HD22 LEU 6 -7.452 2.384 5.781 39 3HD2 LEU 6 HD21 LEU 6 -6.554 2.783 7.248 40 H LYS 7 HN LYS 7 -6.693 7.893 5.273 41 HA LYS 7 HA LYS 7 -6.614 8.359 2.424 42 1HB LYS 7 HB2 LYS 7 -4.927 9.085 4.770 43 2HB LYS 7 HB1 LYS 7 -4.197 9.195 3.169 44 1HG LYS 7 HG2 LYS 7 -5.977 10.663 2.401 45 2HG LYS 7 HG1 LYS 7 -6.840 10.470 3.928 46 1HD LYS 7 HD2 LYS 7 -5.186 11.666 5.141 47 2HD LYS 7 HD1 LYS 7 -4.020 11.544 3.823 48 1HE LYS 7 HE2 LYS 7 -5.103 13.811 4.021 49 2HE LYS 7 HE1 LYS 7 -5.319 13.048 2.445 50 1HZ LYS 7 HZ3 LYS 7 -7.484 12.196 3.306 51 2HZ LYS 7 HZ2 LYS 7 -7.279 13.196 4.665 52 3HZ LYS 7 HZ1 LYS 7 -7.413 13.879 3.114 53 H PHE 8 HN PHE 8 -5.799 7.066 0.888 54 HA PHE 8 HA PHE 8 -3.743 5.047 1.639 55 1HB PHE 8 HB2 PHE 8 -5.651 5.051 -0.725 56 2HB PHE 8 HB1 PHE 8 -4.484 3.806 -0.357 57 HD1 PHE 8 HD1 PHE 8 -7.491 5.522 0.990 58 HD2 PHE 8 HD2 PHE 8 -5.045 2.008 1.052 59 HE1 PHE 8 HE1 PHE 8 -9.173 4.372 2.400 60 HE2 PHE 8 HE2 PHE 8 -6.715 0.849 2.472 61 HZ PHE 8 HZ PHE 8 -8.790 2.038 3.147 62 H LEU 9 HN LEU 9 -1.937 4.862 0.291 63 HA LEU 9 HA LEU 9 -1.619 7.093 -1.696 64 1HB LEU 9 HB2 LEU 9 -0.095 7.211 0.222 65 2HB LEU 9 HB1 LEU 9 0.525 5.630 -0.165 66 HG LEU 9 HG LEU 9 1.184 6.498 -2.435 67 1HD1 LEU 9 HD13 LEU 9 -0.061 8.934 -1.265 68 2HD1 LEU 9 HD12 LEU 9 1.376 9.162 -2.249 69 3HD1 LEU 9 HD11 LEU 9 -0.049 8.381 -2.932 70 1HD2 LEU 9 HD22 LEU 9 2.264 7.237 0.159 71 2HD2 LEU 9 HD21 LEU 9 3.085 6.545 -1.226 72 3HD2 LEU 9 HD23 LEU 9 2.823 8.287 -1.138 73 H VAL 10 HN VAL 10 -1.426 6.438 -3.785 74 HA VAL 10 HA VAL 10 -0.644 3.598 -4.297 75 HB VAL 10 HB VAL 10 -1.784 4.230 -6.598 76 1HG1 VAL 10 HG13 VAL 10 -3.116 3.505 -3.987 77 2HG1 VAL 10 HG12 VAL 10 -4.020 3.541 -5.501 78 3HG1 VAL 10 HG11 VAL 10 -2.659 2.436 -5.311 79 1HG2 VAL 10 HG22 VAL 10 -2.137 6.605 -5.939 80 2HG2 VAL 10 HG21 VAL 10 -3.650 5.783 -6.312 81 3HG2 VAL 10 HG23 VAL 10 -3.191 6.063 -4.633 82 H VAL 11 HN VAL 11 1.548 3.746 -4.642 83 HA VAL 11 HA VAL 11 2.592 5.936 -6.303 84 HB VAL 11 HB VAL 11 4.072 3.799 -4.746 85 1HG1 VAL 11 HG13 VAL 11 4.906 5.940 -6.607 86 2HG1 VAL 11 HG12 VAL 11 5.787 5.902 -5.081 87 3HG1 VAL 11 HG11 VAL 11 5.760 4.478 -6.118 88 1HG2 VAL 11 HG21 VAL 11 2.890 6.398 -4.026 89 2HG2 VAL 11 HG23 VAL 11 3.382 5.059 -2.991 90 3HG2 VAL 11 HG22 VAL 11 4.580 6.223 -3.556 91 H ASP 12 HN ASP 12 1.027 3.567 -7.341 92 HA ASP 12 HA ASP 12 2.902 1.883 -8.769 93 1HB ASP 12 HB2 ASP 12 -0.022 2.433 -9.365 94 2HB ASP 12 HB1 ASP 12 0.929 1.081 -9.980 95 H ASP 13 HN ASP 13 3.547 2.035 -10.946 96 HA ASP 13 HA ASP 13 3.210 4.740 -12.162 97 1HB ASP 13 HB2 ASP 13 5.154 3.796 -13.643 98 2HB ASP 13 HB1 ASP 13 5.508 4.323 -11.997 99 H PHE 14 HN PHE 14 1.592 1.980 -12.307 100 HA PHE 14 HA PHE 14 1.630 1.142 -15.023 101 1HB PHE 14 HB2 PHE 14 0.310 0.299 -12.820 102 2HB PHE 14 HB1 PHE 14 -0.994 1.170 -13.627 103 HD1 PHE 14 HD1 PHE 14 1.800 -1.182 -14.512 104 HD2 PHE 14 HD2 PHE 14 -2.291 -0.036 -15.146 105 HE1 PHE 14 HE1 PHE 14 1.512 -3.078 -16.084 106 HE2 PHE 14 HE2 PHE 14 -2.578 -1.932 -16.719 107 HZ PHE 14 HZ PHE 14 -0.676 -3.453 -17.188 108 H SER 15 HN SER 15 -0.807 1.453 -16.163 109 HA SER 15 HA SER 15 -1.126 4.420 -16.459 110 1HB SER 15 HB2 SER 15 -0.411 2.437 -18.405 111 2HB SER 15 HB1 SER 15 -1.994 3.091 -18.817 112 HG SER 15 HG SER 15 0.245 4.200 -19.349 113 H THR 16 HN THR 16 -2.603 1.779 -15.246 114 HA THR 16 HA THR 16 -5.239 3.020 -15.398 115 HB THR 16 HB THR 16 -5.368 1.864 -17.505 116 HG1 THR 16 HG1 THR 16 -6.831 1.181 -15.395 117 1HG2 THR 16 HG23 THR 16 -3.444 0.359 -17.148 118 2HG2 THR 16 HG22 THR 16 -4.399 -0.586 -16.005 119 3HG2 THR 16 HG21 THR 16 -4.858 -0.535 -17.708 120 H MET 17 HN MET 17 -2.977 1.533 -13.691 121 HA MET 17 HA MET 17 -4.621 -0.400 -12.214 122 1HB MET 17 HB2 MET 17 -2.134 -0.659 -12.539 123 2HB MET 17 HB1 MET 17 -1.906 0.734 -11.480 124 1HG MET 17 HG2 MET 17 -2.016 -0.655 -9.715 125 2HG MET 17 HG1 MET 17 -3.698 -0.981 -10.131 126 1HE MET 17 HE2 MET 17 -0.105 -1.609 -10.867 127 2HE MET 17 HE1 MET 17 -0.316 -2.719 -9.515 128 3HE MET 17 HE3 MET 17 0.062 -3.344 -11.127 129 NH1 ARG 18 NH2 ARG 18 -4.034 7.110 -12.882 130 NH2 ARG 18 NH1 ARG 18 -2.548 6.741 -14.546 131 H ARG 18 HN ARG 18 -3.256 2.839 -11.647 132 HA ARG 18 HA ARG 18 -4.155 3.184 -8.983 133 1HB ARG 18 HB2 ARG 18 -4.169 5.426 -11.004 134 2HB ARG 18 HB1 ARG 18 -3.758 5.493 -9.290 135 1HG ARG 18 HG2 ARG 18 -1.608 5.385 -10.014 136 2HG ARG 18 HG1 ARG 18 -1.935 3.666 -10.221 137 1HD ARG 18 HD2 ARG 18 -1.070 4.351 -12.318 138 2HD ARG 18 HD1 ARG 18 -2.815 4.303 -12.562 139 HE ARG 18 HE ARG 18 -1.349 6.849 -11.999 140 1HH1 ARG 18 HH21 ARG 18 -4.273 7.077 -11.912 141 2HH1 ARG 18 HH22 ARG 18 -4.692 7.460 -13.548 142 1HH2 ARG 18 HH11 ARG 18 -1.650 6.424 -14.849 143 2HH2 ARG 18 HH12 ARG 18 -3.207 7.089 -15.212 144 NH1 ARG 19 NH2 ARG 19 -11.077 6.798 -14.963 145 NH2 ARG 19 NH1 ARG 19 -11.976 8.508 -13.791 146 H ARG 19 HN ARG 19 -5.854 3.568 -12.062 147 HA ARG 19 HA ARG 19 -8.230 4.743 -10.880 148 1HB ARG 19 HB2 ARG 19 -7.276 4.091 -13.514 149 2HB ARG 19 HB1 ARG 19 -8.874 3.379 -13.307 150 1HG ARG 19 HG2 ARG 19 -8.306 6.266 -12.584 151 2HG ARG 19 HG1 ARG 19 -8.793 5.781 -14.206 152 1HD ARG 19 HD2 ARG 19 -10.871 4.868 -13.404 153 2HD ARG 19 HD1 ARG 19 -10.374 5.064 -11.724 154 HE ARG 19 HE ARG 19 -10.894 7.377 -11.880 155 1HH1 ARG 19 HH21 ARG 19 -10.562 5.941 -14.987 156 2HH1 ARG 19 HH22 ARG 19 -11.417 7.202 -15.813 157 1HH2 ARG 19 HH11 ARG 19 -12.151 8.962 -12.916 158 2HH2 ARG 19 HH12 ARG 19 -12.317 8.911 -14.640 159 H ILE 20 HN ILE 20 -7.071 1.488 -11.414 160 HA ILE 20 HA ILE 20 -9.608 0.153 -11.121 161 HB ILE 20 HB ILE 20 -6.730 -0.635 -11.040 162 1HG1 ILE 20 HG12 ILE 20 -9.112 -1.957 -12.357 163 2HG1 ILE 20 HG11 ILE 20 -8.258 -0.597 -13.086 164 1HG2 ILE 20 HG21 ILE 20 -8.978 -2.222 -9.784 165 2HG2 ILE 20 HG23 ILE 20 -7.544 -3.004 -10.445 166 3HG2 ILE 20 HG22 ILE 20 -7.384 -1.862 -9.113 167 1HD1 ILE 20 HD13 ILE 20 -6.760 -3.040 -12.155 168 2HD1 ILE 20 HD12 ILE 20 -7.513 -2.993 -13.749 169 3HD1 ILE 20 HD11 ILE 20 -6.261 -1.823 -13.330 170 H VAL 21 HN VAL 21 -6.987 0.892 -8.809 171 HA VAL 21 HA VAL 21 -8.376 -0.279 -6.578 172 HB VAL 21 HB VAL 21 -6.627 1.656 -5.546 173 1HG1 VAL 21 HG11 VAL 21 -6.236 -1.268 -6.251 174 2HG1 VAL 21 HG13 VAL 21 -5.178 -0.353 -5.178 175 3HG1 VAL 21 HG12 VAL 21 -6.862 -0.629 -4.731 176 1HG2 VAL 21 HG21 VAL 21 -5.889 2.015 -7.922 177 2HG2 VAL 21 HG23 VAL 21 -4.607 1.396 -6.882 178 3HG2 VAL 21 HG22 VAL 21 -5.440 0.311 -7.994 179 NH1 ARG 22 NH2 ARG 22 -7.755 9.021 -8.257 180 NH2 ARG 22 NH1 ARG 22 -8.117 9.356 -6.054 181 H ARG 22 HN ARG 22 -8.359 2.950 -7.991 182 HA ARG 22 HA ARG 22 -9.469 4.470 -5.904 183 1HB ARG 22 HB2 ARG 22 -9.300 4.653 -8.793 184 2HB ARG 22 HB1 ARG 22 -10.871 5.220 -8.245 185 1HG ARG 22 HG2 ARG 22 -9.432 7.129 -8.233 186 2HG ARG 22 HG1 ARG 22 -9.638 6.667 -6.547 187 1HD ARG 22 HD2 ARG 22 -7.482 5.367 -6.721 188 2HD ARG 22 HD1 ARG 22 -7.268 6.048 -8.332 189 HE ARG 22 HE ARG 22 -6.348 7.391 -6.169 190 1HH1 ARG 22 HH21 ARG 22 -7.412 8.448 -9.002 191 2HH1 ARG 22 HH22 ARG 22 -8.168 9.910 -8.459 192 1HH2 ARG 22 HH11 ARG 22 -8.053 9.040 -5.109 193 2HH2 ARG 22 HH12 ARG 22 -8.528 10.245 -6.257 194 H ASN 23 HN ASN 23 -11.300 2.751 -8.446 195 HA ASN 23 HA ASN 23 -13.870 3.106 -7.269 196 1HB ASN 23 HB2 ASN 23 -12.752 2.041 -9.574 197 2HB ASN 23 HB1 ASN 23 -13.468 0.662 -8.784 198 1HD2 ASN 23 HD22 ASN 23 -16.749 1.592 -9.677 199 2HD2 ASN 23 HD21 ASN 23 -15.692 0.374 -9.147 200 H LEU 24 HN LEU 24 -11.743 0.286 -7.418 201 HA LEU 24 HA LEU 24 -13.086 -1.574 -5.906 202 1HB LEU 24 HB2 LEU 24 -10.703 -1.596 -6.945 203 2HB LEU 24 HB1 LEU 24 -10.191 -0.982 -5.385 204 HG LEU 24 HG LEU 24 -11.889 -3.200 -4.847 205 1HD1 LEU 24 HD13 LEU 24 -9.884 -3.738 -7.059 206 2HD1 LEU 24 HD12 LEU 24 -10.570 -5.002 -6.043 207 3HD1 LEU 24 HD11 LEU 24 -11.620 -4.045 -7.087 208 1HD2 LEU 24 HD22 LEU 24 -8.949 -2.619 -4.591 209 2HD2 LEU 24 HD21 LEU 24 -10.155 -2.889 -3.333 210 3HD2 LEU 24 HD23 LEU 24 -9.544 -4.241 -4.274 211 H LEU 25 HN LEU 25 -10.795 0.785 -4.445 212 HA LEU 25 HA LEU 25 -11.509 0.240 -1.739 213 1HB LEU 25 HB2 LEU 25 -10.396 2.695 -3.114 214 2HB LEU 25 HB1 LEU 25 -10.700 2.672 -1.381 215 HG LEU 25 HG LEU 25 -8.949 0.670 -2.846 216 1HD1 LEU 25 HD11 LEU 25 -8.440 3.375 -1.973 217 2HD1 LEU 25 HD13 LEU 25 -7.444 2.247 -1.052 218 3HD1 LEU 25 HD12 LEU 25 -7.362 2.260 -2.814 219 1HD2 LEU 25 HD23 LEU 25 -9.978 0.890 -0.093 220 2HD2 LEU 25 HD22 LEU 25 -9.277 -0.496 -0.920 221 3HD2 LEU 25 HD21 LEU 25 -8.227 0.710 -0.178 222 H LYS 26 HN LYS 26 -12.753 2.717 -3.992 223 HA LYS 26 HA LYS 26 -14.573 3.957 -2.278 224 1HB LYS 26 HB2 LYS 26 -14.129 4.724 -4.589 225 2HB LYS 26 HB1 LYS 26 -14.990 3.318 -5.214 226 1HG LYS 26 HG2 LYS 26 -17.070 4.064 -4.342 227 2HG LYS 26 HG1 LYS 26 -16.292 5.256 -3.299 228 1HD LYS 26 HD2 LYS 26 -16.103 6.786 -4.971 229 2HD LYS 26 HD1 LYS 26 -15.684 5.563 -6.171 230 1HE LYS 26 HE2 LYS 26 -18.488 5.782 -5.080 231 2HE LYS 26 HE1 LYS 26 -17.958 6.769 -6.441 232 1HZ LYS 26 HZ2 LYS 26 -17.131 4.506 -7.354 233 2HZ LYS 26 HZ1 LYS 26 -18.262 3.850 -6.270 234 3HZ LYS 26 HZ3 LYS 26 -18.774 4.914 -7.487 235 H GLU 27 HN GLU 27 -14.845 0.853 -3.958 236 HA GLU 27 HA GLU 27 -17.560 0.323 -3.684 237 1HB GLU 27 HB2 GLU 27 -15.849 -1.233 -4.692 238 2HB GLU 27 HB1 GLU 27 -15.383 -1.685 -3.052 239 1HG GLU 27 HG2 GLU 27 -17.499 -2.651 -2.593 240 2HG GLU 27 HG1 GLU 27 -18.249 -1.876 -3.989 241 H LEU 28 HN LEU 28 -15.036 0.130 -1.199 242 HA LEU 28 HA LEU 28 -16.859 -0.859 0.838 243 1HB LEU 28 HB2 LEU 28 -14.168 -0.816 0.692 244 2HB LEU 28 HB1 LEU 28 -14.421 0.652 1.633 245 HG LEU 28 HG LEU 28 -15.918 -0.701 3.168 246 1HD1 LEU 28 HD13 LEU 28 -15.436 -2.689 1.151 247 2HD1 LEU 28 HD12 LEU 28 -14.750 -3.254 2.673 248 3HD1 LEU 28 HD11 LEU 28 -16.452 -2.806 2.588 249 1HD2 LEU 28 HD22 LEU 28 -13.566 -0.128 3.720 250 2HD2 LEU 28 HD21 LEU 28 -14.028 -1.697 4.380 251 3HD2 LEU 28 HD23 LEU 28 -13.033 -1.610 2.926 252 H GLY 29 HN GLY 29 -15.146 2.267 0.667 253 1HA GLY 29 HA2 GLY 29 -17.230 4.041 0.697 254 2HA GLY 29 HA1 GLY 29 -17.131 3.500 2.367 255 H PHE 30 HN PHE 30 -14.271 3.772 0.342 256 HA PHE 30 HA PHE 30 -13.217 5.794 2.244 257 1HB PHE 30 HB2 PHE 30 -11.886 4.197 0.033 258 2HB PHE 30 HB1 PHE 30 -11.050 5.335 1.080 259 HD1 PHE 30 HD2 PHE 30 -11.497 4.954 3.687 260 HD2 PHE 30 HD1 PHE 30 -11.907 1.954 0.656 261 HE1 PHE 30 HE2 PHE 30 -11.212 3.184 5.404 262 HE2 PHE 30 HE1 PHE 30 -11.630 0.181 2.367 263 HZ PHE 30 HZ PHE 30 -11.284 0.797 4.743 264 H ASN 31 HN ASN 31 -12.418 7.840 1.519 265 HA ASN 31 HA ASN 31 -12.826 8.552 -1.316 266 1HB ASN 31 HB2 ASN 31 -13.941 10.711 -0.248 267 2HB ASN 31 HB1 ASN 31 -14.900 9.284 -0.608 268 1HD2 ASN 31 HD22 ASN 31 -15.665 8.653 2.773 269 2HD2 ASN 31 HD21 ASN 31 -15.909 8.228 1.148 270 H ASN 32 HN ASN 32 -10.323 8.345 -0.564 271 HA ASN 32 HA ASN 32 -9.246 11.002 -0.635 272 1HB ASN 32 HB2 ASN 32 -10.025 10.353 1.924 273 2HB ASN 32 HB1 ASN 32 -8.341 9.843 1.920 274 1HD2 ASN 32 HD22 ASN 32 -7.396 13.323 0.850 275 2HD2 ASN 32 HD21 ASN 32 -7.275 11.798 0.115 276 H VAL 33 HN VAL 33 -7.739 10.347 -2.138 277 HA VAL 33 HA VAL 33 -5.645 8.446 -1.217 278 HB VAL 33 HB VAL 33 -7.133 8.234 -3.854 279 1HG1 VAL 33 HG11 VAL 33 -4.761 6.683 -2.791 280 2HG1 VAL 33 HG13 VAL 33 -5.689 6.229 -4.214 281 3HG1 VAL 33 HG12 VAL 33 -4.777 7.737 -4.202 282 1HG2 VAL 33 HG23 VAL 33 -7.184 6.693 -1.292 283 2HG2 VAL 33 HG22 VAL 33 -8.512 7.123 -2.364 284 3HG2 VAL 33 HG21 VAL 33 -7.411 5.819 -2.804 285 H GLU 34 HN GLU 34 -3.595 8.814 -2.225 286 HA GLU 34 HA GLU 34 -3.482 11.204 -4.027 287 1HB GLU 34 HB2 GLU 34 -1.601 10.480 -1.768 288 2HB GLU 34 HB1 GLU 34 -1.336 11.793 -2.909 289 1HG GLU 34 HG2 GLU 34 -2.341 12.860 -1.062 290 2HG GLU 34 HG1 GLU 34 -3.689 12.607 -2.170 291 H GLU 35 HN GLU 35 -0.860 11.056 -4.817 292 HA GLU 35 HA GLU 35 -0.327 8.236 -5.556 293 1HB GLU 35 HB2 GLU 35 -1.952 9.315 -7.229 294 2HB GLU 35 HB1 GLU 35 -0.593 10.327 -7.718 295 1HG GLU 35 HG2 GLU 35 0.551 7.834 -7.733 296 2HG GLU 35 HG1 GLU 35 -1.095 7.471 -8.250 297 H ALA 36 HN ALA 36 1.789 7.881 -6.325 298 HA ALA 36 HA ALA 36 3.615 10.221 -6.476 299 1HB ALA 36 HB2 ALA 36 3.437 8.661 -4.154 300 2HB ALA 36 HB1 ALA 36 4.858 8.046 -4.997 301 3HB ALA 36 HB3 ALA 36 4.751 9.754 -4.581 302 H GLU 37 HN GLU 37 5.979 9.099 -6.997 303 HA GLU 37 HA GLU 37 5.558 6.778 -8.797 304 1HB GLU 37 HB2 GLU 37 6.773 7.981 -10.633 305 2HB GLU 37 HB1 GLU 37 5.189 8.664 -10.268 306 1HG GLU 37 HG2 GLU 37 6.224 10.407 -8.897 307 2HG GLU 37 HG1 GLU 37 7.819 9.707 -9.177 308 H ASP 38 HN ASP 38 7.167 7.602 -6.254 309 HA ASP 38 HA ASP 38 9.390 5.913 -6.697 310 1HB ASP 38 HB2 ASP 38 10.669 7.269 -8.008 311 2HB ASP 38 HB1 ASP 38 9.756 8.713 -7.564 312 H GLY 39 HN GLY 39 10.754 5.820 -4.771 313 1HA GLY 39 HA2 GLY 39 9.417 6.252 -2.354 314 2HA GLY 39 HA1 GLY 39 11.173 6.107 -2.463 315 H VAL 40 HN VAL 40 12.017 8.337 -3.677 316 HA VAL 40 HA VAL 40 11.854 10.361 -1.742 317 HB VAL 40 HB VAL 40 12.092 11.125 -4.639 318 1HG1 VAL 40 HG13 VAL 40 12.375 12.799 -2.828 319 2HG1 VAL 40 HG12 VAL 40 13.677 11.824 -2.149 320 3HG1 VAL 40 HG11 VAL 40 13.867 12.563 -3.738 321 1HG2 VAL 40 HG21 VAL 40 13.982 9.365 -3.063 322 2HG2 VAL 40 HG23 VAL 40 13.346 9.103 -4.687 323 3HG2 VAL 40 HG22 VAL 40 14.544 10.364 -4.405 324 H ASP 41 HN ASP 41 9.603 9.441 -4.239 325 HA ASP 41 HA ASP 41 8.054 11.924 -4.043 326 1HB ASP 41 HB2 ASP 41 8.370 10.194 -6.047 327 2HB ASP 41 HB1 ASP 41 6.979 9.436 -5.282 328 H ALA 42 HN ALA 42 7.739 8.504 -2.989 329 HA ALA 42 HA ALA 42 5.141 8.859 -1.816 330 1HB ALA 42 HB2 ALA 42 6.532 6.679 -2.342 331 2HB ALA 42 HB1 ALA 42 7.129 6.906 -0.698 332 3HB ALA 42 HB3 ALA 42 5.403 6.695 -0.987 333 H LEU 43 HN LEU 43 8.431 9.055 -0.447 334 HA LEU 43 HA LEU 43 7.577 9.606 2.231 335 1HB LEU 43 HB2 LEU 43 9.976 9.049 1.120 336 2HB LEU 43 HB1 LEU 43 10.127 10.797 1.256 337 HG LEU 43 HG LEU 43 11.013 9.791 3.276 338 1HD1 LEU 43 HD11 LEU 43 9.441 11.867 3.334 339 2HD1 LEU 43 HD13 LEU 43 8.292 10.775 4.108 340 3HD1 LEU 43 HD12 LEU 43 9.859 11.081 4.855 341 1HD2 LEU 43 HD21 LEU 43 9.009 7.865 2.869 342 2HD2 LEU 43 HD23 LEU 43 10.141 7.936 4.219 343 3HD2 LEU 43 HD22 LEU 43 8.552 8.686 4.361 344 H ASN 44 HN ASN 44 8.803 11.875 -0.283 345 HA ASN 44 HA ASN 44 8.325 14.239 1.199 346 1HB ASN 44 HB2 ASN 44 8.454 13.634 -1.739 347 2HB ASN 44 HB1 ASN 44 7.989 15.243 -1.198 348 1HD2 ASN 44 HD22 ASN 44 11.862 14.363 -1.266 349 2HD2 ASN 44 HD21 ASN 44 10.669 13.530 -2.141 350 H LYS 45 HN LYS 45 6.106 12.288 -0.726 351 HA LYS 45 HA LYS 45 3.962 14.282 -0.428 352 1HB LYS 45 HB2 LYS 45 4.052 11.535 -1.692 353 2HB LYS 45 HB1 LYS 45 2.587 12.514 -1.608 354 1HG LYS 45 HG2 LYS 45 5.050 13.824 -2.669 355 2HG LYS 45 HG1 LYS 45 4.241 12.648 -3.706 356 1HD LYS 45 HD2 LYS 45 2.180 13.870 -3.638 357 2HD LYS 45 HD1 LYS 45 2.773 14.920 -2.350 358 1HE LYS 45 HE2 LYS 45 2.854 15.555 -5.014 359 2HE LYS 45 HE1 LYS 45 3.920 16.250 -3.793 360 1HZ LYS 45 HZ3 LYS 45 4.565 13.728 -5.198 361 2HZ LYS 45 HZ2 LYS 45 5.016 15.245 -5.815 362 3HZ LYS 45 HZ1 LYS 45 5.605 14.728 -4.307 363 H LEU 46 HN LEU 46 5.198 11.786 1.522 364 HA LEU 46 HA LEU 46 2.614 10.940 2.571 365 1HB LEU 46 HB2 LEU 46 5.356 10.096 2.894 366 2HB LEU 46 HB1 LEU 46 4.669 10.394 4.487 367 HG LEU 46 HG LEU 46 2.626 9.007 3.499 368 1HD1 LEU 46 HD13 LEU 46 5.009 8.008 1.919 369 2HD1 LEU 46 HD12 LEU 46 3.457 7.194 2.033 370 3HD1 LEU 46 HD11 LEU 46 3.571 8.771 1.241 371 1HD2 LEU 46 HD21 LEU 46 5.199 7.758 4.425 372 2HD2 LEU 46 HD23 LEU 46 3.885 8.336 5.448 373 3HD2 LEU 46 HD22 LEU 46 3.630 6.953 4.385 374 H GLN 47 HN GLN 47 5.110 13.264 3.508 375 HA GLN 47 HA GLN 47 4.105 13.931 6.078 376 1HB GLN 47 HB2 GLN 47 5.138 16.217 5.581 377 2HB GLN 47 HB1 GLN 47 6.225 14.837 5.432 378 1HG GLN 47 HG2 GLN 47 6.325 14.984 3.133 379 2HG GLN 47 HG1 GLN 47 4.702 15.661 3.000 380 1HE2 GLN 47 HE22 GLN 47 7.646 18.293 4.175 381 2HE2 GLN 47 HE21 GLN 47 7.660 16.713 4.796 382 H ALA 48 HN ALA 48 2.591 14.175 3.099 383 HA ALA 48 HA ALA 48 1.207 16.568 3.034 384 1HB ALA 48 HB1 ALA 48 0.048 13.812 2.531 385 2HB ALA 48 HB3 ALA 48 -0.648 15.331 1.968 386 3HB ALA 48 HB2 ALA 48 0.915 14.794 1.351 387 H GLY 49 HN GLY 49 -0.230 13.652 4.541 388 1HA GLY 49 HA2 GLY 49 -1.209 15.364 6.771 389 2HA GLY 49 HA1 GLY 49 -2.385 14.431 5.845 390 H GLY 50 HN GLY 50 -2.498 12.180 6.162 391 1HA GLY 50 HA2 GLY 50 -0.494 10.854 7.855 392 2HA GLY 50 HA1 GLY 50 -2.086 11.025 8.590 393 OH TYR 51 OH TYR 51 0.077 11.623 0.021 394 H TYR 51 HN TYR 51 -0.433 9.709 5.743 395 HA TYR 51 HA TYR 51 -2.617 8.236 4.656 396 1HB TYR 51 HB2 TYR 51 0.352 7.658 4.662 397 2HB TYR 51 HB1 TYR 51 -0.812 6.792 3.684 398 HD1 TYR 51 HD1 TYR 51 -2.094 10.080 3.693 399 HD2 TYR 51 HD2 TYR 51 1.192 7.765 2.162 400 HE1 TYR 51 HE1 TYR 51 -1.769 11.724 1.901 401 HE2 TYR 51 HE2 TYR 51 1.514 9.441 0.378 402 HH TYR 51 HH TYR 51 -0.246 12.469 0.337 403 H GLY 52 HN GLY 52 -3.729 7.349 6.498 404 1HA GLY 52 HA2 GLY 52 -2.491 5.552 8.345 405 2HA GLY 52 HA1 GLY 52 -4.213 5.581 7.963 406 H PHE 53 HN PHE 53 -2.745 5.350 5.049 407 HA PHE 53 HA PHE 53 -2.252 2.434 5.090 408 1HB PHE 53 HB2 PHE 53 -4.791 3.334 4.757 409 2HB PHE 53 HB1 PHE 53 -4.232 3.329 3.097 410 HD1 PHE 53 HD1 PHE 53 -3.218 1.190 2.176 411 HD2 PHE 53 HD2 PHE 53 -5.378 1.339 5.862 412 HE1 PHE 53 HE1 PHE 53 -3.680 -1.205 1.995 413 HE2 PHE 53 HE2 PHE 53 -5.836 -1.072 5.692 414 HZ PHE 53 HZ PHE 53 -4.976 -2.370 3.761 415 H VAL 54 HN VAL 54 -0.983 1.798 3.275 416 HA VAL 54 HA VAL 54 -0.553 3.819 1.134 417 HB VAL 54 HB VAL 54 1.605 2.649 2.899 418 1HG1 VAL 54 HG11 VAL 54 1.685 3.609 0.082 419 2HG1 VAL 54 HG13 VAL 54 2.967 4.185 1.147 420 3HG1 VAL 54 HG12 VAL 54 2.732 2.454 0.906 421 1HG2 VAL 54 HG22 VAL 54 0.744 5.462 2.158 422 2HG2 VAL 54 HG21 VAL 54 0.653 4.707 3.748 423 3HG2 VAL 54 HG23 VAL 54 2.222 5.094 3.043 424 H ILE 55 HN ILE 55 -0.813 2.816 -0.744 425 HA ILE 55 HA ILE 55 -0.184 -0.099 -0.945 426 HB ILE 55 HB ILE 55 -1.896 1.592 -2.795 427 1HG1 ILE 55 HG12 ILE 55 -2.795 -0.353 -0.645 428 2HG1 ILE 55 HG11 ILE 55 -2.798 1.398 -0.441 429 1HG2 ILE 55 HG22 ILE 55 -0.872 -0.498 -3.732 430 2HG2 ILE 55 HG21 ILE 55 -1.677 -1.415 -2.459 431 3HG2 ILE 55 HG23 ILE 55 -2.633 -0.558 -3.668 432 1HD1 ILE 55 HD11 ILE 55 -4.091 0.553 -2.930 433 2HD1 ILE 55 HD13 ILE 55 -4.878 -0.101 -1.494 434 3HD1 ILE 55 HD12 ILE 55 -4.676 1.642 -1.673 435 H SER 56 HN SER 56 1.564 -0.637 -2.182 436 HA SER 56 HA SER 56 2.389 1.159 -4.387 437 1HB SER 56 HB2 SER 56 4.776 1.071 -3.502 438 2HB SER 56 HB1 SER 56 3.667 2.098 -2.597 439 HG SER 56 HG SER 56 5.096 0.376 -1.505 440 H ASP 57 HN ASP 57 3.592 0.065 -5.986 441 HA ASP 57 HA ASP 57 3.292 -2.818 -6.036 442 1HB ASP 57 HB2 ASP 57 4.344 -0.713 -7.848 443 2HB ASP 57 HB1 ASP 57 5.035 -2.321 -8.060 444 CH2 TRP 58 CH2 TRP 58 9.573 -7.533 -1.294 445 H TRP 58 HN TRP 58 5.213 -4.294 -6.338 446 HA TRP 58 HA TRP 58 6.983 -4.263 -4.185 447 1HB TRP 58 HB2 TRP 58 6.597 -6.166 -5.810 448 2HB TRP 58 HB1 TRP 58 7.676 -5.340 -6.932 449 HD1 TRP 58 HD1 TRP 58 10.067 -6.133 -6.803 450 HE1 TRP 58 HE1 TRP 58 11.588 -7.177 -5.003 451 HE3 TRP 58 HE3 TRP 58 6.855 -6.153 -2.822 452 HZ2 TRP 58 HZ2 TRP 58 11.464 -7.921 -2.247 453 HZ3 TRP 58 HZ3 TRP 58 7.591 -7.032 -0.624 454 HH2 TRP 58 HH2 TRP 58 9.885 -7.918 -0.333 455 H ASN 59 HN ASN 59 8.033 -3.429 -7.518 456 HA ASN 59 HA ASN 59 9.298 -0.979 -6.686 457 1HB ASN 59 HB2 ASN 59 11.480 -1.571 -6.318 458 2HB ASN 59 HB1 ASN 59 10.740 -3.084 -5.800 459 1HD2 ASN 59 HD22 ASN 59 11.434 -4.522 -9.189 460 2HD2 ASN 59 HD21 ASN 59 10.027 -4.217 -8.291 461 H MET 60 HN MET 60 10.866 -0.226 -8.468 462 HA MET 60 HA MET 60 11.005 -1.400 -11.014 463 1HB MET 60 HB2 MET 60 8.375 -0.521 -10.582 464 2HB MET 60 HB1 MET 60 9.111 0.753 -11.551 465 1HG MET 60 HG2 MET 60 8.254 -0.793 -13.127 466 2HG MET 60 HG1 MET 60 9.988 -1.095 -13.081 467 1HE MET 60 HE2 MET 60 6.678 -1.739 -11.657 468 2HE MET 60 HE1 MET 60 6.506 -2.990 -12.886 469 3HE MET 60 HE3 MET 60 6.594 -3.432 -11.176 470 HA PRO 61 HA PRO 61 12.130 3.261 -11.251 471 1HB PRO 61 HB2 PRO 61 11.969 4.456 -8.640 472 2HB PRO 61 HB1 PRO 61 11.022 4.862 -10.074 473 1HG PRO 61 HG2 PRO 61 10.063 3.596 -7.717 474 2HG PRO 61 HG1 PRO 61 9.180 3.826 -9.232 475 1HD PRO 61 HD2 PRO 61 10.393 1.387 -8.147 476 2HD PRO 61 HD1 PRO 61 9.206 1.553 -9.449 477 H ASN 62 HN ASN 62 14.182 2.142 -11.370 478 HA ASN 62 HA ASN 62 16.283 1.385 -10.603 479 1HB ASN 62 HB2 ASN 62 16.842 3.472 -8.734 480 2HB ASN 62 HB1 ASN 62 17.385 3.335 -10.405 481 1HD2 ASN 62 HD22 ASN 62 14.172 5.738 -9.532 482 2HD2 ASN 62 HD21 ASN 62 14.707 4.606 -8.386 483 H MET 63 HN MET 63 15.725 -0.490 -9.383 484 HA MET 63 HA MET 63 15.375 -1.775 -7.436 485 1HB MET 63 HB2 MET 63 17.725 -0.872 -7.161 486 2HB MET 63 HB1 MET 63 17.047 0.411 -6.163 487 1HG MET 63 HG2 MET 63 17.518 -1.104 -4.495 488 2HG MET 63 HG1 MET 63 15.917 -1.697 -4.935 489 1HE MET 63 HE2 MET 63 19.485 -1.596 -5.751 490 2HE MET 63 HE1 MET 63 19.727 -2.897 -4.588 491 3HE MET 63 HE3 MET 63 19.979 -3.191 -6.315 492 H ASP 64 HN ASP 64 15.712 0.461 -4.984 493 HA ASP 64 HA ASP 64 14.175 1.404 -3.491 494 1HB ASP 64 HB2 ASP 64 13.210 2.116 -6.203 495 2HB ASP 64 HB1 ASP 64 12.016 2.250 -4.916 496 H GLY 65 HN GLY 65 11.535 1.353 -3.124 497 1HA GLY 65 HA2 GLY 65 9.571 -0.054 -3.041 498 2HA GLY 65 HA1 GLY 65 10.527 -1.370 -3.703 499 H LEU 66 HN LEU 66 12.334 -2.182 -2.199 500 HA LEU 66 HA LEU 66 11.185 -2.798 0.387 501 1HB LEU 66 HB2 LEU 66 13.247 -3.852 -1.183 502 2HB LEU 66 HB1 LEU 66 14.082 -3.172 0.212 503 HG LEU 66 HG LEU 66 13.494 -5.473 0.712 504 1HD1 LEU 66 HD12 LEU 66 12.885 -3.339 2.318 505 2HD1 LEU 66 HD11 LEU 66 11.338 -4.185 2.266 506 3HD1 LEU 66 HD13 LEU 66 12.785 -5.023 2.826 507 1HD2 LEU 66 HD21 LEU 66 11.152 -4.824 -0.792 508 2HD2 LEU 66 HD23 LEU 66 11.644 -6.396 -0.165 509 3HD2 LEU 66 HD22 LEU 66 10.638 -5.333 0.817 510 H GLU 67 HN GLU 67 13.888 -0.756 -0.704 511 HA GLU 67 HA GLU 67 14.518 0.295 1.888 512 1HB GLU 67 HB2 GLU 67 14.943 1.428 -0.899 513 2HB GLU 67 HB1 GLU 67 15.653 2.096 0.566 514 1HG GLU 67 HG2 GLU 67 17.291 0.643 -0.489 515 2HG GLU 67 HG1 GLU 67 16.733 -0.123 0.999 516 H LEU 68 HN LEU 68 12.031 0.911 -0.438 517 HA LEU 68 HA LEU 68 11.311 3.575 0.341 518 1HB LEU 68 HB2 LEU 68 10.277 1.494 -1.378 519 2HB LEU 68 HB1 LEU 68 8.965 2.079 -0.371 520 HG LEU 68 HG LEU 68 10.138 4.436 -1.212 521 1HD1 LEU 68 HD12 LEU 68 11.612 3.147 -2.745 522 2HD1 LEU 68 HD11 LEU 68 10.176 2.463 -3.508 523 3HD1 LEU 68 HD13 LEU 68 10.497 4.188 -3.628 524 1HD2 LEU 68 HD21 LEU 68 7.843 2.784 -2.264 525 2HD2 LEU 68 HD23 LEU 68 7.784 4.231 -1.257 526 3HD2 LEU 68 HD22 LEU 68 8.222 4.356 -2.959 527 H LEU 69 HN LEU 69 9.941 0.421 1.233 528 HA LEU 69 HA LEU 69 8.173 1.309 3.259 529 1HB LEU 69 HB2 LEU 69 9.346 -1.177 2.345 530 2HB LEU 69 HB1 LEU 69 9.119 -1.168 4.087 531 HG LEU 69 HG LEU 69 6.937 -0.381 2.139 532 1HD1 LEU 69 HD13 LEU 69 7.758 -2.778 1.856 533 2HD1 LEU 69 HD12 LEU 69 7.243 -3.053 3.518 534 3HD1 LEU 69 HD11 LEU 69 6.061 -2.601 2.292 535 1HD2 LEU 69 HD21 LEU 69 7.112 -0.914 5.094 536 2HD2 LEU 69 HD23 LEU 69 6.274 0.383 4.247 537 3HD2 LEU 69 HD22 LEU 69 5.611 -1.246 4.241 538 H LYS 70 HN LYS 70 11.268 -0.354 3.845 539 HA LYS 70 HA LYS 70 11.659 0.052 6.514 540 1HB LYS 70 HB2 LYS 70 13.310 -0.635 4.421 541 2HB LYS 70 HB1 LYS 70 14.056 0.852 5.006 542 1HG LYS 70 HG2 LYS 70 13.349 -1.554 6.718 543 2HG LYS 70 HG1 LYS 70 14.971 -1.122 6.178 544 1HD LYS 70 HD2 LYS 70 14.350 1.210 7.299 545 2HD LYS 70 HD1 LYS 70 13.244 0.202 8.232 546 1HE LYS 70 HE2 LYS 70 16.247 -0.119 7.997 547 2HE LYS 70 HE1 LYS 70 15.331 0.303 9.443 548 1HZ LYS 70 HZ3 LYS 70 14.135 -1.957 8.807 549 2HZ LYS 70 HZ2 LYS 70 15.665 -2.282 8.141 550 3HZ LYS 70 HZ1 LYS 70 15.516 -1.907 9.791 551 H THR 71 HN THR 71 12.355 2.546 4.042 552 HA THR 71 HA THR 71 13.281 4.550 5.825 553 HB THR 71 HB THR 71 11.615 5.029 3.336 554 HG1 THR 71 HG1 THR 71 14.160 4.025 3.715 555 1HG2 THR 71 HG21 THR 71 12.186 6.969 4.870 556 2HG2 THR 71 HG23 THR 71 13.883 6.655 4.506 557 3HG2 THR 71 HG22 THR 71 12.777 7.125 3.217 558 H ILE 72 HN ILE 72 9.977 3.723 4.794 559 HA ILE 72 HA ILE 72 8.638 5.853 6.134 560 HB ILE 72 HB ILE 72 7.682 3.027 5.610 561 1HG1 ILE 72 HG12 ILE 72 7.069 5.505 3.988 562 2HG1 ILE 72 HG11 ILE 72 8.509 4.547 3.659 563 1HG2 ILE 72 HG23 ILE 72 6.472 5.304 6.935 564 2HG2 ILE 72 HG22 ILE 72 5.554 4.860 5.497 565 3HG2 ILE 72 HG21 ILE 72 5.850 3.664 6.759 566 1HD1 ILE 72 HD11 ILE 72 6.387 2.680 3.826 567 2HD1 ILE 72 HD13 ILE 72 5.766 4.034 2.887 568 3HD1 ILE 72 HD12 ILE 72 7.232 3.208 2.372 569 NH1 ARG 73 NH2 ARG 73 10.549 -3.345 11.727 570 NH2 ARG 73 NH1 ARG 73 8.566 -3.098 12.784 571 H ARG 73 HN ARG 73 9.945 2.805 7.289 572 HA ARG 73 HA ARG 73 8.598 2.930 9.871 573 1HB ARG 73 HB2 ARG 73 9.699 0.884 8.580 574 2HB ARG 73 HB1 ARG 73 11.132 1.386 9.478 575 1HG ARG 73 HG2 ARG 73 9.707 1.350 11.574 576 2HG ARG 73 HG1 ARG 73 8.442 0.586 10.612 577 1HD ARG 73 HD2 ARG 73 10.748 -0.873 10.006 578 2HD ARG 73 HD1 ARG 73 10.854 -0.588 11.743 579 HE ARG 73 HE ARG 73 8.265 -1.586 10.720 580 1HH1 ARG 73 HH21 ARG 73 11.205 -3.045 11.034 581 2HH1 ARG 73 HH22 ARG 73 10.757 -4.137 12.302 582 1HH2 ARG 73 HH11 ARG 73 7.703 -2.608 12.901 583 2HH2 ARG 73 HH12 ARG 73 8.774 -3.889 13.359 584 H ALA 74 HN ALA 74 12.023 3.358 8.883 585 HA ALA 74 HA ALA 74 13.059 4.224 11.330 586 1HB ALA 74 HB2 ALA 74 13.747 4.683 8.481 587 2HB ALA 74 HB1 ALA 74 14.412 5.850 9.625 588 3HB ALA 74 HB3 ALA 74 14.766 4.132 9.810 589 H ASP 75 HN ASP 75 10.965 5.936 9.110 590 HA ASP 75 HA ASP 75 11.385 8.583 10.137 591 1HB ASP 75 HB2 ASP 75 9.511 7.241 8.339 592 2HB ASP 75 HB1 ASP 75 8.729 8.490 9.307 593 H GLY 76 HN GLY 76 10.540 9.576 11.940 594 1HA GLY 76 HA2 GLY 76 9.122 7.864 13.873 595 2HA GLY 76 HA1 GLY 76 9.756 9.478 14.191 596 H ALA 77 HN ALA 77 7.154 8.689 14.971 597 HA ALA 77 HA ALA 77 5.038 9.723 15.002 598 1HB ALA 77 HB2 ALA 77 6.546 11.667 13.894 599 2HB ALA 77 HB1 ALA 77 5.521 11.279 12.512 600 3HB ALA 77 HB3 ALA 77 4.792 11.788 14.035 601 H MET 78 HN MET 78 6.378 7.927 12.496 602 HA MET 78 HA MET 78 3.726 7.581 11.148 603 1HB MET 78 HB2 MET 78 6.369 6.581 10.093 604 2HB MET 78 HB1 MET 78 4.878 6.893 9.202 605 1HG MET 78 HG2 MET 78 6.735 8.938 10.439 606 2HG MET 78 HG1 MET 78 6.383 8.713 8.727 607 1HE MET 78 HE1 MET 78 3.843 8.594 7.925 608 2HE MET 78 HE3 MET 78 3.043 10.166 8.060 609 3HE MET 78 HE2 MET 78 4.707 10.066 7.491 610 H SER 79 HN SER 79 6.092 6.064 13.145 611 HA SER 79 HA SER 79 6.253 3.882 13.998 612 1HB SER 79 HB2 SER 79 3.294 4.235 13.533 613 2HB SER 79 HB1 SER 79 3.942 2.746 14.214 614 HG SER 79 HG SER 79 5.056 4.235 15.734 615 H ALA 80 HN ALA 80 3.617 2.479 12.396 616 HA ALA 80 HA ALA 80 5.172 1.646 10.031 617 1HB ALA 80 HB2 ALA 80 5.652 0.095 12.071 618 2HB ALA 80 HB1 ALA 80 4.013 -0.500 11.804 619 3HB ALA 80 HB3 ALA 80 5.226 -0.655 10.533 620 H LEU 81 HN LEU 81 3.039 3.190 9.791 621 HA LEU 81 HA LEU 81 0.451 2.320 9.899 622 1HB LEU 81 HB2 LEU 81 1.717 3.653 7.487 623 2HB LEU 81 HB1 LEU 81 0.015 3.705 7.918 624 HG LEU 81 HG LEU 81 2.280 4.798 9.606 625 1HD1 LEU 81 HD13 LEU 81 1.499 5.987 7.400 626 2HD1 LEU 81 HD12 LEU 81 0.084 6.424 8.357 627 3HD1 LEU 81 HD11 LEU 81 1.691 6.936 8.875 628 1HD2 LEU 81 HD22 LEU 81 -0.664 4.440 10.036 629 2HD2 LEU 81 HD21 LEU 81 0.661 4.286 11.188 630 3HD2 LEU 81 HD23 LEU 81 0.107 5.885 10.692 631 HA PRO 82 HA PRO 82 0.132 -1.446 7.567 632 1HB PRO 82 HB2 PRO 82 -2.301 -0.743 6.219 633 2HB PRO 82 HB1 PRO 82 -2.101 -1.817 7.598 634 1HG PRO 82 HG2 PRO 82 -3.198 0.859 7.576 635 2HG PRO 82 HG1 PRO 82 -3.067 -0.254 8.944 636 1HD PRO 82 HD2 PRO 82 -1.551 2.121 8.526 637 2HD PRO 82 HD1 PRO 82 -1.311 0.900 9.792 638 H VAL 83 HN VAL 83 0.702 -2.175 5.549 639 HA VAL 83 HA VAL 83 0.542 -0.292 3.245 640 HB VAL 83 HB VAL 83 2.977 -1.732 4.280 641 1HG1 VAL 83 HG13 VAL 83 2.223 -1.210 1.388 642 2HG1 VAL 83 HG12 VAL 83 3.909 -1.259 1.893 643 3HG1 VAL 83 HG11 VAL 83 2.895 -2.683 2.091 644 1HG2 VAL 83 HG21 VAL 83 2.251 0.871 4.304 645 2HG2 VAL 83 HG23 VAL 83 3.931 0.360 4.164 646 3HG2 VAL 83 HG22 VAL 83 3.027 0.805 2.719 647 H LEU 84 HN LEU 84 -0.617 -1.312 1.704 648 HA LEU 84 HA LEU 84 -0.515 -4.274 1.710 649 1HB LEU 84 HB2 LEU 84 -2.770 -3.296 1.915 650 2HB LEU 84 HB1 LEU 84 -2.532 -2.449 0.386 651 HG LEU 84 HG LEU 84 -2.252 -4.637 -0.755 652 1HD1 LEU 84 HD12 LEU 84 -2.497 -5.606 2.066 653 2HD1 LEU 84 HD11 LEU 84 -3.190 -6.597 0.782 654 3HD1 LEU 84 HD13 LEU 84 -1.472 -6.201 0.761 655 1HD2 LEU 84 HD23 LEU 84 -4.675 -3.714 0.619 656 2HD2 LEU 84 HD22 LEU 84 -4.447 -4.196 -1.061 657 3HD2 LEU 84 HD21 LEU 84 -4.727 -5.421 0.178 658 H MET 85 HN MET 85 1.630 -4.046 0.709 659 HA MET 85 HA MET 85 2.182 -2.814 -1.730 660 1HB MET 85 HB2 MET 85 3.189 -5.289 -0.378 661 2HB MET 85 HB1 MET 85 3.631 -5.040 -2.068 662 1HG MET 85 HG2 MET 85 3.926 -2.744 -0.168 663 2HG MET 85 HG1 MET 85 5.124 -4.037 -0.115 664 1HE MET 85 HE3 MET 85 7.014 -2.452 -0.695 665 2HE MET 85 HE2 MET 85 7.124 -4.050 -1.430 666 3HE MET 85 HE1 MET 85 7.572 -2.625 -2.365 667 H VAL 86 HN VAL 86 2.412 -4.020 -3.899 668 HA VAL 86 HA VAL 86 0.231 -5.988 -4.326 669 HB VAL 86 HB VAL 86 0.510 -3.419 -5.913 670 1HG1 VAL 86 HG12 VAL 86 -1.399 -5.755 -5.989 671 2HG1 VAL 86 HG11 VAL 86 -1.816 -4.185 -6.676 672 3HG1 VAL 86 HG13 VAL 86 -0.437 -5.085 -7.308 673 1HG2 VAL 86 HG21 VAL 86 -1.386 -4.241 -3.696 674 2HG2 VAL 86 HG23 VAL 86 -0.317 -2.840 -3.732 675 3HG2 VAL 86 HG22 VAL 86 -1.721 -2.905 -4.795 676 H THR 87 HN THR 87 1.064 -7.627 -5.527 677 HA THR 87 HA THR 87 3.029 -6.939 -7.668 678 HB THR 87 HB THR 87 4.378 -7.601 -5.732 679 HG1 THR 87 HG1 THR 87 5.357 -8.407 -7.437 680 1HG2 THR 87 HG22 THR 87 2.552 -8.886 -4.603 681 2HG2 THR 87 HG21 THR 87 2.788 -10.178 -5.779 682 3HG2 THR 87 HG23 THR 87 4.083 -9.760 -4.659 683 H ALA 88 HN ALA 88 3.581 -9.448 -8.590 684 HA ALA 88 HA ALA 88 0.966 -10.808 -8.977 685 1HB ALA 88 HB3 ALA 88 2.354 -9.182 -10.945 686 2HB ALA 88 HB2 ALA 88 2.189 -10.847 -11.500 687 3HB ALA 88 HB1 ALA 88 0.758 -9.925 -11.042 688 H GLU 89 HN GLU 89 3.832 -11.235 -7.785 689 HA GLU 89 HA GLU 89 4.130 -13.983 -8.905 690 1HB GLU 89 HB2 GLU 89 6.721 -13.401 -8.426 691 2HB GLU 89 HB1 GLU 89 5.971 -13.166 -10.001 692 1HG GLU 89 HG2 GLU 89 5.838 -10.967 -7.955 693 2HG GLU 89 HG1 GLU 89 7.310 -11.193 -8.893 694 H ALA 90 HN ALA 90 5.651 -11.883 -6.414 695 HA ALA 90 HA ALA 90 6.146 -12.353 -4.166 696 1HB ALA 90 HB3 ALA 90 3.430 -13.359 -4.680 697 2HB ALA 90 HB2 ALA 90 4.228 -14.157 -3.327 698 3HB ALA 90 HB1 ALA 90 4.037 -12.404 -3.328 699 H LYS 91 HN LYS 91 8.065 -13.529 -4.286 700 HA LYS 91 HA LYS 91 7.946 -16.408 -4.933 701 1HB LYS 91 HB2 LYS 91 10.107 -14.356 -4.656 702 2HB LYS 91 HB1 LYS 91 10.534 -16.050 -4.431 703 1HG LYS 91 HG2 LYS 91 8.871 -15.273 -6.802 704 2HG LYS 91 HG1 LYS 91 10.611 -14.987 -6.843 705 1HD LYS 91 HD2 LYS 91 9.666 -17.665 -5.915 706 2HD LYS 91 HD1 LYS 91 9.564 -17.312 -7.640 707 1HE LYS 91 HE2 LYS 91 12.110 -16.665 -6.202 708 2HE LYS 91 HE1 LYS 91 11.774 -18.348 -6.605 709 1HZ LYS 91 HZ2 LYS 91 11.281 -17.494 -8.917 710 2HZ LYS 91 HZ1 LYS 91 12.023 -16.043 -8.441 711 3HZ LYS 91 HZ3 LYS 91 12.911 -17.489 -8.440 712 H LYS 92 HN LYS 92 6.725 -15.414 -2.440 713 HA LYS 92 HA LYS 92 6.646 -15.977 -0.163 714 1HB LYS 92 HB2 LYS 92 8.380 -18.278 -1.117 715 2HB LYS 92 HB1 LYS 92 7.490 -18.218 0.404 716 1HG LYS 92 HG2 LYS 92 5.442 -18.505 -0.619 717 2HG LYS 92 HG1 LYS 92 5.958 -17.727 -2.114 718 1HD LYS 92 HD2 LYS 92 5.649 -20.166 -2.422 719 2HD LYS 92 HD1 LYS 92 7.328 -19.688 -2.683 720 1HE LYS 92 HE2 LYS 92 8.002 -20.517 -0.553 721 2HE LYS 92 HE1 LYS 92 6.335 -20.658 0.002 722 1HZ LYS 92 HZ1 LYS 92 5.983 -22.352 -1.720 723 2HZ LYS 92 HZ3 LYS 92 7.622 -22.256 -2.143 724 3HZ LYS 92 HZ2 LYS 92 7.176 -22.810 -0.601 725 H GLU 93 HN GLU 93 9.875 -17.339 -0.668 726 HA GLU 93 HA GLU 93 11.097 -16.382 1.598 727 1HB GLU 93 HB2 GLU 93 13.225 -16.613 0.470 728 2HB GLU 93 HB1 GLU 93 12.146 -17.874 -0.130 729 1HG GLU 93 HG2 GLU 93 12.751 -17.114 -2.185 730 2HG GLU 93 HG1 GLU 93 11.596 -15.819 -1.861 731 H ASN 94 HN ASN 94 10.219 -14.491 -1.205 732 HA ASN 94 HA ASN 94 11.885 -12.208 -0.394 733 1HB ASN 94 HB2 ASN 94 11.150 -12.894 -2.812 734 2HB ASN 94 HB1 ASN 94 9.657 -12.045 -2.406 735 1HD2 ASN 94 HD22 ASN 94 11.897 -9.490 -3.880 736 2HD2 ASN 94 HD21 ASN 94 11.072 -10.871 -4.423 737 H ILE 95 HN ILE 95 8.542 -13.249 -0.098 738 HA ILE 95 HA ILE 95 7.459 -10.721 0.731 739 HB ILE 95 HB ILE 95 6.510 -13.515 1.427 740 1HG1 ILE 95 HG12 ILE 95 5.642 -11.705 -0.848 741 2HG1 ILE 95 HG11 ILE 95 6.811 -13.012 -1.040 742 1HG2 ILE 95 HG22 ILE 95 5.187 -10.789 1.470 743 2HG2 ILE 95 HG21 ILE 95 4.281 -12.301 1.535 744 3HG2 ILE 95 HG23 ILE 95 5.412 -11.894 2.826 745 1HD1 ILE 95 HD12 ILE 95 4.498 -14.007 0.359 746 2HD1 ILE 95 HD11 ILE 95 3.986 -13.200 -1.120 747 3HD1 ILE 95 HD13 ILE 95 5.149 -14.519 -1.198 748 H ILE 96 HN ILE 96 9.526 -12.947 2.331 749 HA ILE 96 HA ILE 96 8.657 -12.403 5.038 750 HB ILE 96 HB ILE 96 11.175 -13.559 3.846 751 1HG1 ILE 96 HG12 ILE 96 9.143 -14.756 5.749 752 2HG1 ILE 96 HG11 ILE 96 8.990 -14.863 3.995 753 1HG2 ILE 96 HG23 ILE 96 10.579 -12.768 6.694 754 2HG2 ILE 96 HG22 ILE 96 11.661 -14.116 6.340 755 3HG2 ILE 96 HG21 ILE 96 12.050 -12.496 5.760 756 1HD1 ILE 96 HD11 ILE 96 11.663 -15.604 4.887 757 2HD1 ILE 96 HD13 ILE 96 10.423 -16.615 5.630 758 3HD1 ILE 96 HD12 ILE 96 10.533 -16.503 3.874 759 H ALA 97 HN ALA 97 11.678 -11.424 3.410 760 HA ALA 97 HA ALA 97 12.568 -9.521 5.221 761 1HB ALA 97 HB1 ALA 97 13.323 -10.264 2.696 762 2HB ALA 97 HB3 ALA 97 12.757 -8.617 2.418 763 3HB ALA 97 HB2 ALA 97 14.038 -8.922 3.591 764 H ALA 98 HN ALA 98 9.916 -9.200 2.931 765 HA ALA 98 HA ALA 98 9.624 -6.343 3.206 766 1HB ALA 98 HB1 ALA 98 8.520 -8.213 1.558 767 2HB ALA 98 HB3 ALA 98 7.184 -7.929 2.674 768 3HB ALA 98 HB2 ALA 98 7.874 -6.584 1.766 769 H ALA 99 HN ALA 99 7.745 -9.041 4.644 770 HA ALA 99 HA ALA 99 6.088 -7.534 6.300 771 1HB ALA 99 HB1 ALA 99 6.160 -10.090 5.947 772 2HB ALA 99 HB3 ALA 99 7.347 -10.105 7.251 773 3HB ALA 99 HB2 ALA 99 5.715 -9.508 7.551 774 H GLN 100 HN GLN 100 9.414 -8.630 6.975 775 HA GLN 100 HA GLN 100 9.636 -7.810 9.648 776 1HB GLN 100 HB2 GLN 100 11.445 -8.975 8.433 777 2HB GLN 100 HB1 GLN 100 11.724 -7.531 7.460 778 1HG GLN 100 HG2 GLN 100 12.826 -6.458 9.141 779 2HG GLN 100 HG1 GLN 100 11.735 -7.077 10.381 780 1HE2 GLN 100 HE22 GLN 100 14.454 -9.908 9.227 781 2HE2 GLN 100 HE21 GLN 100 13.451 -9.171 8.073 782 H ALA 101 HN ALA 101 9.427 -5.903 6.745 783 HA ALA 101 HA ALA 101 10.213 -3.416 8.130 784 1HB ALA 101 HB2 ALA 101 10.816 -3.823 5.735 785 2HB ALA 101 HB1 ALA 101 9.099 -3.806 5.333 786 3HB ALA 101 HB3 ALA 101 9.872 -2.351 5.960 787 H GLY 102 HN GLY 102 7.745 -2.780 5.957 788 1HA GLY 102 HA2 GLY 102 5.670 -2.739 8.066 789 2HA GLY 102 HA1 GLY 102 5.921 -1.342 7.033 790 H ALA 103 HN ALA 103 6.613 -3.923 5.193 791 HA ALA 103 HA ALA 103 4.422 -3.757 3.425 792 1HB ALA 103 HB2 ALA 103 6.820 -5.323 3.686 793 2HB ALA 103 HB1 ALA 103 5.483 -6.348 3.172 794 3HB ALA 103 HB3 ALA 103 5.912 -4.923 2.229 795 H SER 104 HN SER 104 4.034 -4.578 6.419 796 HA SER 104 HA SER 104 3.017 -6.950 7.065 797 1HB SER 104 HB2 SER 104 2.171 -4.227 7.648 798 2HB SER 104 HB1 SER 104 0.813 -5.348 7.709 799 HG SER 104 HG SER 104 2.933 -5.070 9.393 800 H GLY 105 HN GLY 105 1.451 -4.899 4.617 801 1HA GLY 105 HA2 GLY 105 -0.546 -7.085 4.183 802 2HA GLY 105 HA1 GLY 105 -0.777 -5.410 3.697 803 OH TYR 106 OH TYR 106 1.588 -13.417 -2.753 804 H TYR 106 HN TYR 106 -0.378 -8.263 2.325 805 HA TYR 106 HA TYR 106 1.023 -7.097 -0.013 806 1HB TYR 106 HB2 TYR 106 2.901 -8.293 0.386 807 2HB TYR 106 HB1 TYR 106 2.128 -9.209 1.682 808 HD1 TYR 106 HD1 TYR 106 2.254 -8.956 -2.080 809 HD2 TYR 106 HD2 TYR 106 1.538 -11.454 1.346 810 HE1 TYR 106 HE1 TYR 106 2.062 -10.940 -3.552 811 HE2 TYR 106 HE2 TYR 106 1.349 -13.427 -0.129 812 HH TYR 106 HH TYR 106 1.958 -13.187 -3.610 813 H VAL 107 HN VAL 107 -0.436 -7.333 -1.595 814 HA VAL 107 HA VAL 107 -2.098 -9.823 -1.642 815 HB VAL 107 HB VAL 107 -3.366 -7.684 -1.355 816 1HG1 VAL 107 HG13 VAL 107 -1.550 -6.565 -2.958 817 2HG1 VAL 107 HG12 VAL 107 -2.734 -6.989 -4.193 818 3HG1 VAL 107 HG11 VAL 107 -3.190 -5.936 -2.854 819 1HG2 VAL 107 HG23 VAL 107 -4.361 -9.657 -2.481 820 2HG2 VAL 107 HG22 VAL 107 -4.964 -8.155 -3.173 821 3HG2 VAL 107 HG21 VAL 107 -3.735 -9.084 -4.026 822 H VAL 108 HN VAL 108 -1.540 -11.186 -3.248 823 HA VAL 108 HA VAL 108 0.304 -10.319 -5.320 824 HB VAL 108 HB VAL 108 0.623 -12.563 -4.697 825 1HG1 VAL 108 HG13 VAL 108 -2.351 -12.564 -4.495 826 2HG1 VAL 108 HG12 VAL 108 -1.565 -14.101 -4.857 827 3HG1 VAL 108 HG11 VAL 108 -1.149 -13.222 -3.384 828 1HG2 VAL 108 HG23 VAL 108 0.133 -12.118 -7.259 829 2HG2 VAL 108 HG22 VAL 108 0.367 -13.760 -6.669 830 3HG2 VAL 108 HG21 VAL 108 -1.262 -13.151 -6.951 831 H LYS 109 HN LYS 109 -0.751 -8.792 -6.631 832 HA LYS 109 HA LYS 109 -3.450 -8.889 -7.473 833 1HB LYS 109 HB2 LYS 109 -2.885 -6.910 -8.424 834 2HB LYS 109 HB1 LYS 109 -1.263 -7.197 -7.814 835 1HG LYS 109 HG2 LYS 109 -0.708 -8.403 -9.938 836 2HG LYS 109 HG1 LYS 109 -2.305 -7.969 -10.561 837 1HD LYS 109 HD2 LYS 109 -1.769 -5.583 -10.278 838 2HD LYS 109 HD1 LYS 109 -0.177 -6.012 -9.651 839 1HE LYS 109 HE2 LYS 109 0.257 -5.584 -11.921 840 2HE LYS 109 HE1 LYS 109 0.085 -7.340 -11.878 841 1HZ LYS 109 HZ1 LYS 109 -2.323 -6.953 -12.414 842 2HZ LYS 109 HZ3 LYS 109 -1.922 -5.338 -12.736 843 3HZ LYS 109 HZ2 LYS 109 -1.228 -6.584 -13.659 844 HA PRO 110 HA PRO 110 -4.428 -8.124 -9.610 845 1HB PRO 110 HB2 PRO 110 -6.470 -9.711 -10.842 846 2HB PRO 110 HB1 PRO 110 -5.522 -8.414 -11.583 847 1HG PRO 110 HG2 PRO 110 -5.355 -11.191 -12.184 848 2HG PRO 110 HG1 PRO 110 -4.277 -9.915 -12.767 849 1HD PRO 110 HD2 PRO 110 -3.780 -11.950 -10.703 850 2HD PRO 110 HD1 PRO 110 -2.619 -10.900 -11.543 851 H PHE 111 HN PHE 111 -6.634 -7.914 -8.557 852 HA PHE 111 HA PHE 111 -7.514 -10.292 -7.020 853 1HB PHE 111 HB2 PHE 111 -7.699 -8.856 -4.937 854 2HB PHE 111 HB1 PHE 111 -6.066 -9.312 -5.390 855 HD1 PHE 111 HD1 PHE 111 -8.591 -6.523 -5.742 856 HD2 PHE 111 HD2 PHE 111 -4.449 -7.667 -5.741 857 HE1 PHE 111 HE1 PHE 111 -7.905 -4.153 -5.930 858 HE2 PHE 111 HE2 PHE 111 -3.779 -5.295 -5.917 859 HZ PHE 111 HZ PHE 111 -5.516 -3.529 -6.009 860 H THR 112 HN THR 112 -9.570 -10.002 -6.047 861 HA THR 112 HA THR 112 -11.281 -8.048 -7.504 862 HB THR 112 HB THR 112 -12.554 -10.056 -5.741 863 HG1 THR 112 HG1 THR 112 -10.664 -11.109 -6.723 864 1HG2 THR 112 HG22 THR 112 -13.670 -8.510 -7.420 865 2HG2 THR 112 HG21 THR 112 -12.938 -9.494 -8.688 866 3HG2 THR 112 HG23 THR 112 -14.094 -10.215 -7.569 867 H ALA 113 HN ALA 113 -12.591 -6.606 -6.232 868 HA ALA 113 HA ALA 113 -11.491 -5.487 -3.944 869 1HB ALA 113 HB1 ALA 113 -13.576 -4.747 -5.341 870 2HB ALA 113 HB3 ALA 113 -14.490 -5.707 -4.176 871 3HB ALA 113 HB2 ALA 113 -13.525 -4.337 -3.626 872 H ALA 114 HN ALA 114 -13.386 -8.423 -4.142 873 HA ALA 114 HA ALA 114 -13.919 -8.611 -1.315 874 1HB ALA 114 HB2 ALA 114 -14.102 -10.392 -3.670 875 2HB ALA 114 HB1 ALA 114 -13.790 -11.220 -2.145 876 3HB ALA 114 HB3 ALA 114 -15.219 -10.201 -2.318 877 H THR 115 HN THR 115 -11.278 -9.780 -3.404 878 HA THR 115 HA THR 115 -9.864 -11.127 -1.299 879 HB THR 115 HB THR 115 -7.912 -10.195 -3.052 880 HG1 THR 115 HG1 THR 115 -9.364 -9.318 -4.445 881 1HG2 THR 115 HG22 THR 115 -9.645 -12.678 -3.160 882 2HG2 THR 115 HG21 THR 115 -8.137 -12.476 -4.052 883 3HG2 THR 115 HG23 THR 115 -8.123 -12.495 -2.289 884 H LEU 116 HN LEU 116 -9.030 -7.939 -2.853 885 HA LEU 116 HA LEU 116 -7.219 -7.081 -0.921 886 1HB LEU 116 HB2 LEU 116 -8.557 -5.874 -3.012 887 2HB LEU 116 HB1 LEU 116 -9.126 -4.969 -1.612 888 HG LEU 116 HG LEU 116 -6.717 -4.732 -0.883 889 1HD1 LEU 116 HD12 LEU 116 -6.365 -6.326 -3.347 890 2HD1 LEU 116 HD11 LEU 116 -5.277 -4.953 -3.192 891 3HD1 LEU 116 HD13 LEU 116 -5.321 -6.191 -1.938 892 1HD2 LEU 116 HD23 LEU 116 -8.075 -3.028 -2.304 893 2HD2 LEU 116 HD22 LEU 116 -6.325 -2.839 -2.227 894 3HD2 LEU 116 HD21 LEU 116 -7.068 -3.579 -3.643 895 H GLU 117 HN GLU 117 -10.813 -6.862 -0.656 896 HA GLU 117 HA GLU 117 -10.812 -5.499 1.833 897 1HB GLU 117 HB2 GLU 117 -12.758 -7.177 0.338 898 2HB GLU 117 HB1 GLU 117 -13.071 -6.903 2.047 899 1HG GLU 117 HG2 GLU 117 -14.131 -5.176 0.576 900 2HG GLU 117 HG1 GLU 117 -12.991 -4.494 1.736 901 H GLU 118 HN GLU 118 -11.106 -8.987 1.173 902 HA GLU 118 HA GLU 118 -11.285 -10.022 3.726 903 1HB GLU 118 HB2 GLU 118 -10.841 -11.135 1.308 904 2HB GLU 118 HB1 GLU 118 -9.235 -11.327 2.011 905 1HG GLU 118 HG2 GLU 118 -10.309 -13.283 2.716 906 2HG GLU 118 HG1 GLU 118 -10.540 -12.216 4.101 907 H LYS 119 HN LYS 119 -8.112 -9.616 2.113 908 HA LYS 119 HA LYS 119 -6.449 -10.024 4.301 909 1HB LYS 119 HB2 LYS 119 -6.130 -7.909 2.148 910 2HB LYS 119 HB1 LYS 119 -4.837 -8.501 3.188 911 1HG LYS 119 HG2 LYS 119 -6.426 -10.536 1.692 912 2HG LYS 119 HG1 LYS 119 -5.297 -9.550 0.763 913 1HD LYS 119 HD2 LYS 119 -4.341 -10.773 3.325 914 2HD LYS 119 HD1 LYS 119 -4.497 -11.807 1.906 915 1HE LYS 119 HE2 LYS 119 -3.034 -10.359 0.617 916 2HE LYS 119 HE1 LYS 119 -2.973 -9.187 1.934 917 1HZ LYS 119 HZ1 LYS 119 -2.233 -11.489 3.139 918 2HZ LYS 119 HZ3 LYS 119 -1.529 -11.653 1.603 919 3HZ LYS 119 HZ2 LYS 119 -1.163 -10.300 2.563 920 H LEU 120 HN LEU 120 -8.016 -6.966 3.363 921 HA LEU 120 HA LEU 120 -7.003 -5.224 5.262 922 1HB LEU 120 HB2 LEU 120 -9.026 -5.056 3.473 923 2HB LEU 120 HB1 LEU 120 -9.964 -5.160 4.963 924 HG LEU 120 HG LEU 120 -8.243 -3.340 5.810 925 1HD1 LEU 120 HD12 LEU 120 -6.961 -3.593 3.593 926 2HD1 LEU 120 HD11 LEU 120 -8.297 -2.713 2.855 927 3HD1 LEU 120 HD13 LEU 120 -7.328 -1.949 4.112 928 1HD2 LEU 120 HD23 LEU 120 -10.515 -2.793 3.875 929 2HD2 LEU 120 HD22 LEU 120 -10.636 -2.931 5.630 930 3HD2 LEU 120 HD21 LEU 120 -9.775 -1.570 4.909 931 H ASN 121 HN ASN 121 -9.626 -7.593 5.779 932 HA ASN 121 HA ASN 121 -10.168 -6.844 8.478 933 1HB ASN 121 HB2 ASN 121 -11.312 -8.591 6.769 934 2HB ASN 121 HB1 ASN 121 -10.393 -9.719 7.768 935 1HD2 ASN 121 HD22 ASN 121 -12.540 -9.389 10.546 936 2HD2 ASN 121 HD21 ASN 121 -11.200 -10.173 9.858 937 H LYS 122 HN LYS 122 -7.904 -9.234 7.140 938 HA LYS 122 HA LYS 122 -7.005 -10.322 9.599 939 1HB LYS 122 HB2 LYS 122 -5.438 -9.889 7.039 940 2HB LYS 122 HB1 LYS 122 -4.968 -10.970 8.352 941 1HG LYS 122 HG2 LYS 122 -7.185 -12.154 8.043 942 2HG LYS 122 HG1 LYS 122 -7.419 -11.189 6.585 943 1HD LYS 122 HD2 LYS 122 -6.345 -12.925 5.566 944 2HD LYS 122 HD1 LYS 122 -4.894 -12.120 6.164 945 1HE LYS 122 HE2 LYS 122 -6.399 -14.386 7.498 946 2HE LYS 122 HE1 LYS 122 -4.774 -14.448 6.816 947 1HZ LYS 122 HZ2 LYS 122 -4.126 -12.730 8.447 948 2HZ LYS 122 HZ1 LYS 122 -5.663 -12.861 9.160 949 3HZ LYS 122 HZ3 LYS 122 -4.609 -14.191 9.171 950 H ILE 123 HN ILE 123 -6.114 -7.335 7.954 951 HA ILE 123 HA ILE 123 -3.935 -6.817 9.883 952 HB ILE 123 HB ILE 123 -5.044 -5.231 7.550 953 1HG1 ILE 123 HG12 ILE 123 -2.374 -6.626 7.896 954 2HG1 ILE 123 HG11 ILE 123 -3.761 -7.358 7.090 955 1HG2 ILE 123 HG21 ILE 123 -3.325 -4.392 9.749 956 2HG2 ILE 123 HG23 ILE 123 -2.485 -4.286 8.207 957 3HG2 ILE 123 HG22 ILE 123 -4.003 -3.432 8.436 958 1HD1 ILE 123 HD12 ILE 123 -3.263 -4.676 6.090 959 2HD1 ILE 123 HD11 ILE 123 -1.840 -5.702 5.907 960 3HD1 ILE 123 HD13 ILE 123 -3.379 -6.194 5.200 961 H PHE 124 HN PHE 124 -7.211 -5.703 9.182 962 HA PHE 124 HA PHE 124 -7.033 -3.598 11.222 963 1HB PHE 124 HB2 PHE 124 -9.126 -4.510 9.270 964 2HB PHE 124 HB1 PHE 124 -9.562 -3.456 10.606 965 HD1 PHE 124 HD1 PHE 124 -6.133 -3.164 9.203 966 HD2 PHE 124 HD2 PHE 124 -10.173 -1.718 9.001 967 HE1 PHE 124 HE1 PHE 124 -5.363 -1.183 7.962 968 HE2 PHE 124 HE2 PHE 124 -9.385 0.263 7.738 969 HZ PHE 124 HZ PHE 124 -7.008 0.517 7.229 970 H GLU 125 HN GLU 125 -7.357 -6.858 11.466 971 HA GLU 125 HA GLU 125 -9.506 -6.905 13.451 972 1HB GLU 125 HB2 GLU 125 -8.834 -8.921 12.064 973 2HB GLU 125 HB1 GLU 125 -7.336 -8.980 12.989 974 1HG GLU 125 HG2 GLU 125 -10.039 -8.992 14.342 975 2HG GLU 125 HG1 GLU 125 -9.260 -10.481 13.805 976 H LYS 126 HN LYS 126 -6.066 -6.439 13.339 977 HA LYS 126 HA LYS 126 -5.857 -6.486 16.297 978 1HB LYS 126 HB2 LYS 126 -3.879 -6.359 14.024 979 2HB LYS 126 HB1 LYS 126 -3.385 -5.878 15.645 980 1HG LYS 126 HG2 LYS 126 -4.671 -8.546 14.984 981 2HG LYS 126 HG1 LYS 126 -2.931 -8.301 15.111 982 1HD LYS 126 HD2 LYS 126 -3.943 -7.173 17.463 983 2HD LYS 126 HD1 LYS 126 -4.908 -8.630 17.230 984 1HE LYS 126 HE2 LYS 126 -2.773 -9.910 16.886 985 2HE LYS 126 HE1 LYS 126 -1.886 -8.451 17.324 986 1HZ LYS 126 HZ2 LYS 126 -3.293 -8.463 19.411 987 2HZ LYS 126 HZ1 LYS 126 -3.712 -10.059 19.004 988 3HZ LYS 126 HZ3 LYS 126 -2.091 -9.658 19.297 989 H LEU 127 HN LEU 127 -6.169 -4.343 13.603 990 HA LEU 127 HA LEU 127 -5.295 -1.986 15.140 991 1HB LEU 127 HB2 LEU 127 -5.330 -2.576 12.427 992 2HB LEU 127 HB1 LEU 127 -6.726 -1.515 12.600 993 HG LEU 127 HG LEU 127 -4.742 -0.183 12.103 994 1HD1 LEU 127 HD13 LEU 127 -6.511 0.420 14.001 995 2HD1 LEU 127 HD12 LEU 127 -5.080 0.324 15.028 996 3HD1 LEU 127 HD11 LEU 127 -5.121 1.455 13.678 997 1HD2 LEU 127 HD22 LEU 127 -3.436 -2.093 13.716 998 2HD2 LEU 127 HD21 LEU 127 -2.708 -0.699 12.918 999 3HD2 LEU 127 HD23 LEU 127 -3.290 -0.561 14.578 1000 H GLY 128 HN GLY 128 -8.243 -3.641 14.200 1001 1HA GLY 128 HA2 GLY 128 -10.502 -3.123 14.635 1002 2HA GLY 128 HA1 GLY 128 -9.869 -2.638 16.209 1003 H MET 129 HN MET 129 -10.731 -1.474 12.998 1004 HA MET 129 HA MET 129 -10.273 1.330 13.806 1005 1HB MET 129 HB2 MET 129 -10.798 -0.128 11.284 1006 2HB MET 129 HB1 MET 129 -11.493 1.490 11.383 1007 1HG MET 129 HG2 MET 129 -8.610 0.938 12.102 1008 2HG MET 129 HG1 MET 129 -9.105 1.327 10.454 1009 1HE MET 129 HE3 MET 129 -7.194 2.901 10.976 1010 2HE MET 129 HE2 MET 129 -8.230 3.858 9.921 1011 3HE MET 129 HE1 MET 129 -7.514 4.600 11.349 Start of MODEL 39 Raw file had 1011 H/Q atoms Start of MODEL 39 1 H ALA 2 HN ALA 2 -14.552 0.870 8.125 2 HA ALA 2 HA ALA 2 -12.305 1.244 9.911 3 1HB ALA 2 HB3 ALA 2 -11.878 -0.110 7.252 4 2HB ALA 2 HB2 ALA 2 -10.611 0.890 7.962 5 3HB ALA 2 HB1 ALA 2 -11.202 -0.530 8.825 6 H ASP 3 HN ASP 3 -14.139 3.086 9.336 7 HA ASP 3 HA ASP 3 -14.344 5.308 8.606 8 1HB ASP 3 HB2 ASP 3 -11.666 4.962 8.956 9 2HB ASP 3 HB1 ASP 3 -11.719 5.354 7.237 10 H LYS 4 HN LYS 4 -15.160 6.270 6.729 11 HA LYS 4 HA LYS 4 -15.253 4.518 4.351 12 1HB LYS 4 HB2 LYS 4 -16.632 7.174 4.809 13 2HB LYS 4 HB1 LYS 4 -16.986 6.019 3.532 14 1HG LYS 4 HG2 LYS 4 -17.114 4.983 6.324 15 2HG LYS 4 HG1 LYS 4 -18.388 6.096 5.834 16 1HD LYS 4 HD2 LYS 4 -17.635 3.825 4.017 17 2HD LYS 4 HD1 LYS 4 -18.684 3.522 5.403 18 1HE LYS 4 HE2 LYS 4 -19.325 5.864 3.665 19 2HE LYS 4 HE1 LYS 4 -19.687 4.255 3.042 20 1HZ LYS 4 HZ2 LYS 4 -20.466 4.662 5.787 21 2HZ LYS 4 HZ1 LYS 4 -21.286 5.664 4.686 22 3HZ LYS 4 HZ3 LYS 4 -21.339 3.979 4.499 23 H GLU 5 HN GLU 5 -12.865 6.280 5.254 24 HA GLU 5 HA GLU 5 -12.103 7.092 2.570 25 1HB GLU 5 HB2 GLU 5 -11.889 9.497 3.023 26 2HB GLU 5 HB1 GLU 5 -13.569 8.991 3.210 27 1HG GLU 5 HG2 GLU 5 -12.454 8.579 5.735 28 2HG GLU 5 HG1 GLU 5 -11.750 10.104 5.196 29 H LEU 6 HN LEU 6 -10.856 5.333 4.259 30 HA LEU 6 HA LEU 6 -8.932 6.440 6.017 31 1HB LEU 6 HB2 LEU 6 -9.492 4.031 5.895 32 2HB LEU 6 HB1 LEU 6 -8.734 3.947 4.309 33 HG LEU 6 HG LEU 6 -6.583 4.642 5.309 34 1HD1 LEU 6 HD11 LEU 6 -8.312 4.837 7.741 35 2HD1 LEU 6 HD13 LEU 6 -6.639 4.317 7.943 36 3HD1 LEU 6 HD12 LEU 6 -6.994 5.886 7.218 37 1HD2 LEU 6 HD22 LEU 6 -8.068 2.205 6.140 38 2HD2 LEU 6 HD21 LEU 6 -6.581 2.348 5.203 39 3HD2 LEU 6 HD23 LEU 6 -6.539 2.524 6.958 40 H LYS 7 HN LYS 7 -7.497 8.015 5.375 41 HA LYS 7 HA LYS 7 -6.782 8.788 2.834 42 1HB LYS 7 HB2 LYS 7 -5.367 8.879 5.458 43 2HB LYS 7 HB1 LYS 7 -4.459 9.310 4.013 44 1HG LYS 7 HG2 LYS 7 -6.067 11.020 3.427 45 2HG LYS 7 HG1 LYS 7 -7.144 10.512 4.729 46 1HD LYS 7 HD2 LYS 7 -5.427 11.129 6.393 47 2HD LYS 7 HD1 LYS 7 -4.351 11.641 5.092 48 1HE LYS 7 HE2 LYS 7 -7.103 12.811 5.598 49 2HE LYS 7 HE1 LYS 7 -5.592 13.549 6.129 50 1HZ LYS 7 HZ1 LYS 7 -5.566 12.818 3.358 51 2HZ LYS 7 HZ3 LYS 7 -6.789 13.936 3.720 52 3HZ LYS 7 HZ2 LYS 7 -5.171 14.298 4.092 53 H PHE 8 HN PHE 8 -6.238 7.362 1.218 54 HA PHE 8 HA PHE 8 -4.147 5.302 1.757 55 1HB PHE 8 HB2 PHE 8 -6.162 5.690 -0.472 56 2HB PHE 8 HB1 PHE 8 -4.815 4.591 -0.635 57 HD1 PHE 8 HD1 PHE 8 -4.688 2.548 0.740 58 HD2 PHE 8 HD2 PHE 8 -8.038 5.211 0.952 59 HE1 PHE 8 HE1 PHE 8 -6.024 0.784 1.886 60 HE2 PHE 8 HE2 PHE 8 -9.348 3.465 2.116 61 HZ PHE 8 HZ PHE 8 -8.346 1.257 2.589 62 H LEU 9 HN LEU 9 -2.350 5.165 0.271 63 HA LEU 9 HA LEU 9 -1.929 7.561 -1.465 64 1HB LEU 9 HB2 LEU 9 -0.609 8.034 0.492 65 2HB LEU 9 HB1 LEU 9 0.028 6.394 0.538 66 HG LEU 9 HG LEU 9 1.240 6.747 -1.533 67 1HD1 LEU 9 HD11 LEU 9 -0.348 9.296 -1.576 68 2HD1 LEU 9 HD13 LEU 9 1.205 9.212 -2.407 69 3HD1 LEU 9 HD12 LEU 9 -0.102 8.122 -2.870 70 1HD2 LEU 9 HD22 LEU 9 1.561 8.820 0.613 71 2HD2 LEU 9 HD21 LEU 9 2.601 7.451 0.217 72 3HD2 LEU 9 HD23 LEU 9 2.583 8.874 -0.821 73 H VAL 10 HN VAL 10 -2.117 6.537 -3.439 74 HA VAL 10 HA VAL 10 -0.910 3.865 -3.796 75 HB VAL 10 HB VAL 10 -1.858 4.303 -6.204 76 1HG1 VAL 10 HG12 VAL 10 -3.332 3.742 -3.652 77 2HG1 VAL 10 HG11 VAL 10 -4.237 3.844 -5.161 78 3HG1 VAL 10 HG13 VAL 10 -2.952 2.649 -4.983 79 1HG2 VAL 10 HG23 VAL 10 -2.207 6.756 -5.714 80 2HG2 VAL 10 HG22 VAL 10 -3.646 5.924 -6.300 81 3HG2 VAL 10 HG21 VAL 10 -3.476 6.287 -4.583 82 H VAL 11 HN VAL 11 1.229 3.813 -4.256 83 HA VAL 11 HA VAL 11 2.420 6.010 -5.813 84 HB VAL 11 HB VAL 11 3.767 3.843 -4.189 85 1HG1 VAL 11 HG12 VAL 11 4.735 6.041 -5.931 86 2HG1 VAL 11 HG11 VAL 11 5.525 5.913 -4.360 87 3HG1 VAL 11 HG13 VAL 11 5.532 4.540 -5.464 88 1HG2 VAL 11 HG21 VAL 11 2.363 6.212 -3.433 89 2HG2 VAL 11 HG23 VAL 11 3.230 5.084 -2.393 90 3HG2 VAL 11 HG22 VAL 11 4.074 6.457 -3.107 91 H ASP 12 HN ASP 12 1.238 4.882 -7.691 92 HA ASP 12 HA ASP 12 2.930 2.664 -8.786 93 1HB ASP 12 HB2 ASP 12 0.045 3.397 -9.374 94 2HB ASP 12 HB1 ASP 12 0.949 2.125 -10.199 95 H ASP 13 HN ASP 13 4.058 3.132 -10.628 96 HA ASP 13 HA ASP 13 3.945 5.837 -11.708 97 1HB ASP 13 HB2 ASP 13 6.083 4.631 -11.560 98 2HB ASP 13 HB1 ASP 13 5.470 3.391 -12.654 99 H PHE 14 HN PHE 14 2.093 3.098 -12.239 100 HA PHE 14 HA PHE 14 1.753 3.419 -15.130 101 1HB PHE 14 HB2 PHE 14 1.052 1.468 -13.161 102 2HB PHE 14 HB1 PHE 14 -0.429 1.988 -13.965 103 HD1 PHE 14 HD2 PHE 14 0.023 2.432 -16.647 104 HD2 PHE 14 HD1 PHE 14 2.081 -0.384 -14.138 105 HE1 PHE 14 HE2 PHE 14 0.623 1.090 -18.644 106 HE2 PHE 14 HE1 PHE 14 2.681 -1.725 -16.135 107 HZ PHE 14 HZ PHE 14 1.952 -0.988 -18.388 108 H SER 15 HN SER 15 0.003 4.430 -16.157 109 HA SER 15 HA SER 15 -1.473 6.370 -14.474 110 1HB SER 15 HB2 SER 15 -0.670 6.189 -17.309 111 2HB SER 15 HB1 SER 15 -2.280 6.853 -17.047 112 HG SER 15 HG SER 15 -0.895 8.550 -16.874 113 H THR 16 HN THR 16 -1.987 3.294 -15.024 114 HA THR 16 HA THR 16 -4.941 3.630 -15.351 115 HB THR 16 HB THR 16 -5.091 1.952 -16.927 116 HG1 THR 16 HG1 THR 16 -4.052 0.424 -15.555 117 1HG2 THR 16 HG21 THR 16 -3.528 3.796 -17.738 118 2HG2 THR 16 HG23 THR 16 -2.199 2.688 -17.399 119 3HG2 THR 16 HG22 THR 16 -3.416 2.262 -18.601 120 H MET 17 HN MET 17 -2.236 1.879 -13.945 121 HA MET 17 HA MET 17 -3.628 -0.161 -12.572 122 1HB MET 17 HB2 MET 17 -1.226 -0.185 -12.551 123 2HB MET 17 HB1 MET 17 -1.157 1.416 -11.812 124 1HG MET 17 HG2 MET 17 -1.881 0.623 -9.723 125 2HG MET 17 HG1 MET 17 -2.573 -0.844 -10.416 126 1HE MET 17 HE2 MET 17 -1.355 -1.600 -8.144 127 2HE MET 17 HE1 MET 17 -1.492 -2.871 -9.354 128 3HE MET 17 HE3 MET 17 0.008 -2.676 -8.438 129 NH1 ARG 18 NH2 ARG 18 -3.038 8.256 -13.644 130 NH2 ARG 18 NH1 ARG 18 -2.770 9.256 -11.635 131 H ARG 18 HN ARG 18 -3.293 3.267 -11.852 132 HA ARG 18 HA ARG 18 -4.333 3.125 -9.164 133 1HB ARG 18 HB2 ARG 18 -4.896 5.598 -10.672 134 2HB ARG 18 HB1 ARG 18 -4.048 5.380 -9.144 135 1HG ARG 18 HG2 ARG 18 -2.095 4.458 -10.485 136 2HG ARG 18 HG1 ARG 18 -2.939 4.999 -11.936 137 1HD ARG 18 HD2 ARG 18 -3.018 7.196 -10.188 138 2HD ARG 18 HD1 ARG 18 -1.380 6.556 -10.051 139 HE ARG 18 HE ARG 18 -1.205 6.804 -12.535 140 1HH1 ARG 18 HH21 ARG 18 -2.890 7.474 -14.248 141 2HH1 ARG 18 HH22 ARG 18 -3.540 9.056 -13.974 142 1HH2 ARG 18 HH11 ARG 18 -2.415 9.240 -10.701 143 2HH2 ARG 18 HH12 ARG 18 -3.271 10.055 -11.965 144 NH1 ARG 19 NH2 ARG 19 -7.915 4.068 -17.612 145 NH2 ARG 19 NH1 ARG 19 -9.273 2.443 -16.822 146 H ARG 19 HN ARG 19 -5.832 3.773 -12.332 147 HA ARG 19 HA ARG 19 -8.445 4.321 -11.383 148 1HB ARG 19 HB2 ARG 19 -7.223 3.535 -13.947 149 2HB ARG 19 HB1 ARG 19 -8.910 3.050 -13.769 150 1HG ARG 19 HG2 ARG 19 -9.617 5.295 -13.374 151 2HG ARG 19 HG1 ARG 19 -7.958 5.852 -13.153 152 1HD ARG 19 HD2 ARG 19 -8.798 6.478 -15.385 153 2HD ARG 19 HD1 ARG 19 -7.466 5.328 -15.515 154 HE ARG 19 HE ARG 19 -10.341 4.543 -15.802 155 1HH1 ARG 19 HH21 ARG 19 -7.593 5.014 -17.590 156 2HH1 ARG 19 HH22 ARG 19 -7.517 3.419 -18.262 157 1HH2 ARG 19 HH11 ARG 19 -9.992 2.144 -16.194 158 2HH2 ARG 19 HH12 ARG 19 -8.877 1.794 -17.472 159 H ILE 20 HN ILE 20 -6.715 1.312 -11.670 160 HA ILE 20 HA ILE 20 -9.037 -0.414 -11.598 161 HB ILE 20 HB ILE 20 -6.084 -0.745 -11.273 162 1HG1 ILE 20 HG12 ILE 20 -8.087 -2.408 -12.811 163 2HG1 ILE 20 HG11 ILE 20 -7.434 -0.897 -13.448 164 1HG2 ILE 20 HG22 ILE 20 -8.173 -2.668 -10.236 165 2HG2 ILE 20 HG21 ILE 20 -6.593 -3.225 -10.776 166 3HG2 ILE 20 HG23 ILE 20 -6.711 -2.099 -9.426 167 1HD1 ILE 20 HD13 ILE 20 -5.669 -3.149 -12.464 168 2HD1 ILE 20 HD12 ILE 20 -6.190 -3.012 -14.144 169 3HD1 ILE 20 HD11 ILE 20 -5.196 -1.744 -13.422 170 H VAL 21 HN VAL 21 -6.705 0.629 -9.094 171 HA VAL 21 HA VAL 21 -8.267 -0.663 -7.004 172 HB VAL 21 HB VAL 21 -6.443 1.247 -5.911 173 1HG1 VAL 21 HG12 VAL 21 -6.351 -1.768 -6.235 174 2HG1 VAL 21 HG11 VAL 21 -5.347 -0.838 -5.124 175 3HG1 VAL 21 HG13 VAL 21 -7.096 -0.893 -4.898 176 1HG2 VAL 21 HG21 VAL 21 -5.347 -0.465 -8.168 177 2HG2 VAL 21 HG23 VAL 21 -5.378 1.298 -8.122 178 3HG2 VAL 21 HG22 VAL 21 -4.362 0.403 -6.993 179 NH1 ARG 22 NH2 ARG 22 -8.184 8.974 -6.413 180 NH2 ARG 22 NH1 ARG 22 -7.064 9.760 -8.212 181 H ARG 22 HN ARG 22 -8.019 2.598 -8.310 182 HA ARG 22 HA ARG 22 -9.199 4.084 -6.227 183 1HB ARG 22 HB2 ARG 22 -8.902 4.340 -9.119 184 2HB ARG 22 HB1 ARG 22 -10.399 5.064 -8.542 185 1HG ARG 22 HG2 ARG 22 -9.203 6.453 -6.969 186 2HG ARG 22 HG1 ARG 22 -7.689 5.613 -7.304 187 1HD ARG 22 HD2 ARG 22 -7.279 6.914 -9.098 188 2HD ARG 22 HD1 ARG 22 -8.886 6.606 -9.755 189 HE ARG 22 HE ARG 22 -9.606 8.656 -8.823 190 1HH1 ARG 22 HH21 ARG 22 -8.905 8.397 -6.025 191 2HH1 ARG 22 HH22 ARG 22 -7.605 9.522 -5.812 192 1HH2 ARG 22 HH11 ARG 22 -6.925 9.786 -9.202 193 2HH2 ARG 22 HH12 ARG 22 -6.483 10.309 -7.610 194 H ASN 23 HN ASN 23 -10.800 2.368 -8.900 195 HA ASN 23 HA ASN 23 -13.475 2.790 -7.974 196 1HB ASN 23 HB2 ASN 23 -12.186 1.758 -10.199 197 2HB ASN 23 HB1 ASN 23 -12.965 0.365 -9.502 198 1HD2 ASN 23 HD22 ASN 23 -15.277 2.559 -11.729 199 2HD2 ASN 23 HD21 ASN 23 -13.627 2.222 -11.940 200 H LEU 24 HN LEU 24 -11.509 -0.169 -8.077 201 HA LEU 24 HA LEU 24 -13.112 -1.865 -6.601 202 1HB LEU 24 HB2 LEU 24 -10.807 -2.271 -7.688 203 2HB LEU 24 HB1 LEU 24 -10.125 -1.736 -6.170 204 HG LEU 24 HG LEU 24 -12.243 -3.784 -5.848 205 1HD1 LEU 24 HD13 LEU 24 -9.800 -4.346 -7.522 206 2HD1 LEU 24 HD12 LEU 24 -10.597 -5.616 -6.598 207 3HD1 LEU 24 HD11 LEU 24 -11.481 -4.754 -7.857 208 1HD2 LEU 24 HD21 LEU 24 -9.832 -2.987 -4.488 209 2HD2 LEU 24 HD23 LEU 24 -11.074 -4.108 -3.956 210 3HD2 LEU 24 HD22 LEU 24 -9.716 -4.690 -4.909 211 H LEU 25 HN LEU 25 -11.033 0.708 -5.316 212 HA LEU 25 HA LEU 25 -11.516 -0.011 -2.524 213 1HB LEU 25 HB2 LEU 25 -10.281 2.327 -3.951 214 2HB LEU 25 HB1 LEU 25 -10.782 2.526 -2.282 215 HG LEU 25 HG LEU 25 -9.157 0.117 -3.014 216 1HD1 LEU 25 HD12 LEU 25 -8.242 2.968 -2.943 217 2HD1 LEU 25 HD11 LEU 25 -7.182 1.728 -2.273 218 3HD1 LEU 25 HD13 LEU 25 -7.685 1.639 -3.960 219 1HD2 LEU 25 HD23 LEU 25 -9.321 1.922 -0.572 220 2HD2 LEU 25 HD22 LEU 25 -10.069 0.334 -0.735 221 3HD2 LEU 25 HD21 LEU 25 -8.314 0.481 -0.701 222 H LYS 26 HN LYS 26 -12.715 2.581 -4.676 223 HA LYS 26 HA LYS 26 -14.582 3.710 -2.926 224 1HB LYS 26 HB2 LYS 26 -13.976 4.518 -5.261 225 2HB LYS 26 HB1 LYS 26 -15.077 3.287 -5.881 226 1HG LYS 26 HG2 LYS 26 -16.879 4.289 -4.421 227 2HG LYS 26 HG1 LYS 26 -15.767 5.610 -4.063 228 1HD LYS 26 HD2 LYS 26 -16.602 6.606 -5.916 229 2HD LYS 26 HD1 LYS 26 -15.646 5.434 -6.823 230 1HE LYS 26 HE2 LYS 26 -18.563 5.255 -6.055 231 2HE LYS 26 HE1 LYS 26 -17.861 5.221 -7.672 232 1HZ LYS 26 HZ2 LYS 26 -16.700 3.136 -6.955 233 2HZ LYS 26 HZ1 LYS 26 -17.689 3.137 -5.574 234 3HZ LYS 26 HZ3 LYS 26 -18.387 3.007 -7.114 235 H GLU 27 HN GLU 27 -14.780 0.751 -4.836 236 HA GLU 27 HA GLU 27 -17.499 0.181 -4.706 237 1HB GLU 27 HB2 GLU 27 -15.368 -1.222 -5.550 238 2HB GLU 27 HB1 GLU 27 -15.646 -2.047 -4.014 239 1HG GLU 27 HG2 GLU 27 -18.013 -2.413 -4.649 240 2HG GLU 27 HG1 GLU 27 -17.708 -1.626 -6.199 241 H LEU 28 HN LEU 28 -15.038 -0.165 -2.192 242 HA LEU 28 HA LEU 28 -16.896 -1.314 -0.265 243 1HB LEU 28 HB2 LEU 28 -14.055 -0.537 -0.338 244 2HB LEU 28 HB1 LEU 28 -14.825 -0.273 1.226 245 HG LEU 28 HG LEU 28 -13.805 -2.563 0.960 246 1HD1 LEU 28 HD13 LEU 28 -16.385 -1.838 1.956 247 2HD1 LEU 28 HD12 LEU 28 -16.511 -3.444 1.240 248 3HD1 LEU 28 HD11 LEU 28 -15.329 -3.136 2.510 249 1HD2 LEU 28 HD23 LEU 28 -14.905 -2.474 -1.547 250 2HD2 LEU 28 HD22 LEU 28 -14.384 -3.956 -0.745 251 3HD2 LEU 28 HD21 LEU 28 -16.079 -3.473 -0.691 252 H GLY 29 HN GLY 29 -15.128 1.786 -0.210 253 1HA GLY 29 HA2 GLY 29 -17.165 3.596 -0.059 254 2HA GLY 29 HA1 GLY 29 -17.099 2.934 1.570 255 H PHE 30 HN PHE 30 -14.381 3.535 -0.635 256 HA PHE 30 HA PHE 30 -13.261 5.420 1.415 257 1HB PHE 30 HB2 PHE 30 -11.855 3.623 -0.586 258 2HB PHE 30 HB1 PHE 30 -11.034 4.779 0.443 259 HD1 PHE 30 HD2 PHE 30 -11.779 4.587 3.030 260 HD2 PHE 30 HD1 PHE 30 -11.947 1.419 0.143 261 HE1 PHE 30 HE2 PHE 30 -11.709 2.913 4.861 262 HE2 PHE 30 HE1 PHE 30 -11.892 -0.254 1.971 263 HZ PHE 30 HZ PHE 30 -11.774 0.494 4.332 264 H ASN 31 HN ASN 31 -12.772 7.500 0.705 265 HA ASN 31 HA ASN 31 -12.469 7.993 -2.186 266 1HB ASN 31 HB2 ASN 31 -14.945 8.433 -0.807 267 2HB ASN 31 HB1 ASN 31 -14.294 9.994 -1.288 268 1HD2 ASN 31 HD22 ASN 31 -15.537 9.463 -4.534 269 2HD2 ASN 31 HD21 ASN 31 -15.419 10.497 -3.193 270 H ASN 32 HN ASN 32 -10.316 8.307 -0.887 271 HA ASN 32 HA ASN 32 -9.717 11.118 -0.831 272 1HB ASN 32 HB2 ASN 32 -10.930 10.958 1.347 273 2HB ASN 32 HB1 ASN 32 -9.769 9.742 1.875 274 1HD2 ASN 32 HD22 ASN 32 -8.432 12.917 3.178 275 2HD2 ASN 32 HD21 ASN 32 -9.730 11.873 3.504 276 H VAL 33 HN VAL 33 -7.943 10.405 -2.142 277 HA VAL 33 HA VAL 33 -5.743 9.158 -0.584 278 HB VAL 33 HB VAL 33 -5.450 7.328 -1.955 279 1HG1 VAL 33 HG11 VAL 33 -7.764 7.234 -0.983 280 2HG1 VAL 33 HG13 VAL 33 -8.377 7.895 -2.497 281 3HG1 VAL 33 HG12 VAL 33 -7.594 6.317 -2.476 282 1HG2 VAL 33 HG21 VAL 33 -6.663 9.048 -4.127 283 2HG2 VAL 33 HG23 VAL 33 -5.043 8.346 -4.060 284 3HG2 VAL 33 HG22 VAL 33 -6.441 7.314 -4.341 285 H GLU 34 HN GLU 34 -3.735 9.026 -2.202 286 HA GLU 34 HA GLU 34 -3.658 11.437 -3.935 287 1HB GLU 34 HB2 GLU 34 -2.117 10.989 -1.437 288 2HB GLU 34 HB1 GLU 34 -1.151 11.507 -2.812 289 1HG GLU 34 HG2 GLU 34 -3.075 13.339 -3.063 290 2HG GLU 34 HG1 GLU 34 -3.316 12.985 -1.352 291 H GLU 35 HN GLU 35 -1.071 11.307 -4.791 292 HA GLU 35 HA GLU 35 -0.627 8.480 -5.612 293 1HB GLU 35 HB2 GLU 35 -1.107 10.845 -7.414 294 2HB GLU 35 HB1 GLU 35 -0.178 9.453 -7.969 295 1HG GLU 35 HG2 GLU 35 -2.011 7.995 -7.788 296 2HG GLU 35 HG1 GLU 35 -2.875 9.069 -6.687 297 H ALA 36 HN ALA 36 1.502 8.043 -6.356 298 HA ALA 36 HA ALA 36 3.531 10.180 -6.209 299 1HB ALA 36 HB3 ALA 36 3.049 8.359 -4.023 300 2HB ALA 36 HB2 ALA 36 4.639 8.046 -4.716 301 3HB ALA 36 HB1 ALA 36 4.233 9.659 -4.132 302 H GLU 37 HN GLU 37 5.792 8.572 -6.326 303 HA GLU 37 HA GLU 37 5.249 6.628 -8.524 304 1HB GLU 37 HB2 GLU 37 7.285 8.869 -8.662 305 2HB GLU 37 HB1 GLU 37 7.062 7.607 -9.875 306 1HG GLU 37 HG2 GLU 37 4.548 8.449 -9.815 307 2HG GLU 37 HG1 GLU 37 5.294 9.931 -9.213 308 H ASP 38 HN ASP 38 6.979 7.412 -5.688 309 HA ASP 38 HA ASP 38 8.277 4.848 -5.622 310 1HB ASP 38 HB2 ASP 38 10.523 5.345 -6.080 311 2HB ASP 38 HB1 ASP 38 9.685 6.277 -7.317 312 H GLY 39 HN GLY 39 10.397 5.365 -3.914 313 1HA GLY 39 HA2 GLY 39 8.996 6.070 -1.470 314 2HA GLY 39 HA1 GLY 39 10.695 5.633 -1.586 315 H VAL 40 HN VAL 40 11.548 7.610 -3.427 316 HA VAL 40 HA VAL 40 12.039 9.822 -1.729 317 HB VAL 40 HB VAL 40 11.985 9.721 -4.764 318 1HG1 VAL 40 HG12 VAL 40 12.712 11.834 -2.793 319 2HG1 VAL 40 HG11 VAL 40 13.788 11.631 -4.176 320 3HG1 VAL 40 HG13 VAL 40 12.081 11.995 -4.432 321 1HG2 VAL 40 HG22 VAL 40 14.198 9.342 -2.722 322 2HG2 VAL 40 HG21 VAL 40 13.563 8.123 -3.827 323 3HG2 VAL 40 HG23 VAL 40 14.469 9.498 -4.457 324 H ASP 41 HN ASP 41 9.535 9.272 -4.166 325 HA ASP 41 HA ASP 41 8.295 11.873 -3.827 326 1HB ASP 41 HB2 ASP 41 8.107 10.244 -5.834 327 2HB ASP 41 HB1 ASP 41 6.900 9.407 -4.861 328 H ALA 42 HN ALA 42 7.319 8.557 -2.829 329 HA ALA 42 HA ALA 42 5.108 9.398 -1.241 330 1HB ALA 42 HB1 ALA 42 6.004 7.012 -1.991 331 2HB ALA 42 HB3 ALA 42 6.730 7.038 -0.388 332 3HB ALA 42 HB2 ALA 42 4.981 7.192 -0.571 333 H LEU 43 HN LEU 43 8.312 8.322 -0.059 334 HA LEU 43 HA LEU 43 8.144 9.010 2.597 335 1HB LEU 43 HB2 LEU 43 10.170 8.059 1.447 336 2HB LEU 43 HB1 LEU 43 10.534 9.677 0.855 337 HG LEU 43 HG LEU 43 10.608 10.492 3.214 338 1HD1 LEU 43 HD12 LEU 43 9.855 7.643 3.705 339 2HD1 LEU 43 HD11 LEU 43 10.982 8.390 4.834 340 3HD1 LEU 43 HD13 LEU 43 9.387 9.097 4.584 341 1HD2 LEU 43 HD23 LEU 43 12.463 8.700 1.894 342 2HD2 LEU 43 HD22 LEU 43 12.805 10.124 2.877 343 3HD2 LEU 43 HD21 LEU 43 12.601 8.550 3.645 344 H ASN 44 HN ASN 44 8.815 11.288 -0.075 345 HA ASN 44 HA ASN 44 9.022 13.569 1.713 346 1HB ASN 44 HB2 ASN 44 8.782 13.231 -1.271 347 2HB ASN 44 HB1 ASN 44 8.663 14.830 -0.536 348 1HD2 ASN 44 HD22 ASN 44 12.286 13.771 -1.316 349 2HD2 ASN 44 HD21 ASN 44 10.878 13.560 -2.239 350 H LYS 45 HN LYS 45 6.436 12.143 -0.238 351 HA LYS 45 HA LYS 45 4.567 14.280 0.570 352 1HB LYS 45 HB2 LYS 45 4.253 11.823 -1.175 353 2HB LYS 45 HB1 LYS 45 2.930 12.931 -0.810 354 1HG LYS 45 HG2 LYS 45 4.367 14.807 -1.705 355 2HG LYS 45 HG1 LYS 45 5.514 13.583 -2.249 356 1HD LYS 45 HD2 LYS 45 4.272 13.626 -4.161 357 2HD LYS 45 HD1 LYS 45 3.190 12.571 -3.249 358 1HE LYS 45 HE2 LYS 45 1.839 14.346 -4.150 359 2HE LYS 45 HE1 LYS 45 2.015 14.660 -2.424 360 1HZ LYS 45 HZ3 LYS 45 4.178 15.866 -3.618 361 2HZ LYS 45 HZ2 LYS 45 2.865 16.234 -4.631 362 3HZ LYS 45 HZ1 LYS 45 2.809 16.638 -2.981 363 H LEU 46 HN LEU 46 5.738 11.587 2.064 364 HA LEU 46 HA LEU 46 3.235 10.495 3.103 365 1HB LEU 46 HB2 LEU 46 5.948 9.695 3.075 366 2HB LEU 46 HB1 LEU 46 5.545 9.940 4.770 367 HG LEU 46 HG LEU 46 5.063 7.627 4.113 368 1HD1 LEU 46 HD11 LEU 46 3.247 9.423 5.317 369 2HD1 LEU 46 HD13 LEU 46 2.289 8.407 4.241 370 3HD1 LEU 46 HD12 LEU 46 3.288 7.669 5.490 371 1HD2 LEU 46 HD23 LEU 46 4.172 8.858 1.713 372 2HD2 LEU 46 HD22 LEU 46 4.216 7.134 2.085 373 3HD2 LEU 46 HD21 LEU 46 2.769 8.077 2.443 374 H GLN 47 HN GLN 47 5.752 12.718 4.262 375 HA GLN 47 HA GLN 47 4.683 13.067 6.895 376 1HB GLN 47 HB2 GLN 47 5.905 15.375 6.629 377 2HB GLN 47 HB1 GLN 47 6.861 13.892 6.654 378 1HG GLN 47 HG2 GLN 47 7.146 13.899 4.304 379 2HG GLN 47 HG1 GLN 47 5.836 15.056 4.065 380 1HE2 GLN 47 HE22 GLN 47 8.654 17.286 3.750 381 2HE2 GLN 47 HE21 GLN 47 7.644 16.269 2.840 382 H ALA 48 HN ALA 48 3.314 13.802 3.949 383 HA ALA 48 HA ALA 48 2.201 16.327 4.095 384 1HB ALA 48 HB2 ALA 48 1.768 14.669 2.277 385 2HB ALA 48 HB1 ALA 48 0.672 13.816 3.363 386 3HB ALA 48 HB3 ALA 48 0.296 15.458 2.844 387 H GLY 49 HN GLY 49 0.301 13.511 5.207 388 1HA GLY 49 HA2 GLY 49 -0.406 15.024 7.673 389 2HA GLY 49 HA1 GLY 49 -1.710 14.464 6.626 390 H GLY 50 HN GLY 50 0.818 12.291 6.412 391 1HA GLY 50 HA2 GLY 50 1.302 10.264 7.552 392 2HA GLY 50 HA1 GLY 50 0.168 10.738 8.817 393 OH TYR 51 OH TYR 51 -1.436 12.373 0.318 394 H TYR 51 HN TYR 51 0.326 9.537 5.488 395 HA TYR 51 HA TYR 51 -2.422 9.043 5.112 396 1HB TYR 51 HB2 TYR 51 0.059 7.732 4.023 397 2HB TYR 51 HB1 TYR 51 -1.550 7.179 3.561 398 HD1 TYR 51 HD2 TYR 51 0.781 10.037 3.527 399 HD2 TYR 51 HD1 TYR 51 -2.999 8.517 2.176 400 HE1 TYR 51 HE2 TYR 51 0.581 11.940 1.957 401 HE2 TYR 51 HE1 TYR 51 -3.204 10.427 0.604 402 HH TYR 51 HH TYR 51 -0.690 12.344 -0.286 403 H GLY 52 HN GLY 52 -3.706 7.864 6.392 404 1HA GLY 52 HA2 GLY 52 -2.855 6.014 8.344 405 2HA GLY 52 HA1 GLY 52 -4.473 6.061 7.669 406 H PHE 53 HN PHE 53 -2.732 5.746 4.980 407 HA PHE 53 HA PHE 53 -2.051 2.884 5.154 408 1HB PHE 53 HB2 PHE 53 -4.670 3.588 4.695 409 2HB PHE 53 HB1 PHE 53 -4.047 3.356 3.071 410 HD1 PHE 53 HD2 PHE 53 -4.418 1.718 6.404 411 HD2 PHE 53 HD1 PHE 53 -3.601 1.210 2.231 412 HE1 PHE 53 HE2 PHE 53 -4.711 -0.721 6.639 413 HE2 PHE 53 HE1 PHE 53 -3.920 -1.203 2.449 414 HZ PHE 53 HZ PHE 53 -4.448 -2.203 4.661 415 H VAL 54 HN VAL 54 -0.592 2.356 3.551 416 HA VAL 54 HA VAL 54 -0.344 4.206 1.215 417 HB VAL 54 HB VAL 54 1.866 3.100 2.960 418 1HG1 VAL 54 HG12 VAL 54 1.861 4.092 0.135 419 2HG1 VAL 54 HG11 VAL 54 3.218 4.533 1.171 420 3HG1 VAL 54 HG13 VAL 54 2.849 2.834 0.877 421 1HG2 VAL 54 HG21 VAL 54 0.437 5.506 3.008 422 2HG2 VAL 54 HG23 VAL 54 1.985 5.199 3.793 423 3HG2 VAL 54 HG22 VAL 54 1.940 5.907 2.179 424 H ILE 55 HN ILE 55 -0.581 3.113 -0.635 425 HA ILE 55 HA ILE 55 -0.068 0.168 -0.650 426 HB ILE 55 HB ILE 55 -1.622 1.852 -2.641 427 1HG1 ILE 55 HG12 ILE 55 -2.635 0.057 -0.410 428 2HG1 ILE 55 HG11 ILE 55 -2.653 1.820 -0.368 429 1HG2 ILE 55 HG21 ILE 55 -0.699 -0.271 -3.527 430 2HG2 ILE 55 HG23 ILE 55 -1.464 -1.146 -2.202 431 3HG2 ILE 55 HG22 ILE 55 -2.457 -0.334 -3.412 432 1HD1 ILE 55 HD11 ILE 55 -4.016 1.775 -2.493 433 2HD1 ILE 55 HD13 ILE 55 -4.135 0.025 -2.306 434 3HD1 ILE 55 HD12 ILE 55 -4.838 1.092 -1.090 435 H SER 56 HN SER 56 1.193 -0.705 -2.410 436 HA SER 56 HA SER 56 2.396 1.021 -4.410 437 1HB SER 56 HB2 SER 56 4.449 1.464 -3.513 438 2HB SER 56 HB1 SER 56 3.601 1.272 -1.981 439 HG SER 56 HG SER 56 5.255 -0.535 -3.371 440 H ASP 57 HN ASP 57 3.964 -0.241 -5.764 441 HA ASP 57 HA ASP 57 3.170 -3.097 -5.804 442 1HB ASP 57 HB2 ASP 57 4.644 -2.901 -8.010 443 2HB ASP 57 HB1 ASP 57 2.993 -2.285 -7.972 444 CH2 TRP 58 CH2 TRP 58 10.142 -7.056 -0.909 445 H TRP 58 HN TRP 58 5.389 -4.281 -6.960 446 HA TRP 58 HA TRP 58 7.603 -3.791 -5.000 447 1HB TRP 58 HB2 TRP 58 6.281 -5.807 -4.371 448 2HB TRP 58 HB1 TRP 58 6.616 -6.494 -5.960 449 HD1 TRP 58 HD1 TRP 58 9.333 -6.765 -6.551 450 HE1 TRP 58 HE1 TRP 58 11.241 -7.503 -4.981 451 HE3 TRP 58 HE3 TRP 58 7.138 -5.888 -2.027 452 HZ2 TRP 58 HZ2 TRP 58 11.767 -7.693 -2.168 453 HZ3 TRP 58 HZ3 TRP 58 8.359 -6.356 0.071 454 HH2 TRP 58 HH2 TRP 58 10.669 -7.261 0.015 455 H ASN 59 HN ASN 59 9.276 -3.064 -6.218 456 HA ASN 59 HA ASN 59 10.798 -2.886 -7.998 457 1HB ASN 59 HB2 ASN 59 11.130 -5.287 -7.089 458 2HB ASN 59 HB1 ASN 59 10.233 -5.803 -8.518 459 1HD2 ASN 59 HD22 ASN 59 12.824 -4.558 -10.778 460 2HD2 ASN 59 HD21 ASN 59 11.133 -4.551 -10.634 461 H MET 60 HN MET 60 9.795 -1.626 -9.550 462 HA MET 60 HA MET 60 9.094 -2.744 -12.034 463 1HB MET 60 HB2 MET 60 6.934 -2.921 -10.158 464 2HB MET 60 HB1 MET 60 6.503 -1.750 -11.406 465 1HG MET 60 HG2 MET 60 7.135 -3.403 -13.148 466 2HG MET 60 HG1 MET 60 7.470 -4.582 -11.882 467 1HE MET 60 HE1 MET 60 5.814 -5.198 -14.146 468 2HE MET 60 HE3 MET 60 4.054 -5.217 -13.969 469 3HE MET 60 HE2 MET 60 4.879 -3.735 -14.444 470 HA PRO 61 HA PRO 61 7.785 1.897 -11.970 471 1HB PRO 61 HB2 PRO 61 8.602 3.066 -9.473 472 2HB PRO 61 HB1 PRO 61 6.966 2.956 -10.137 473 1HG PRO 61 HG2 PRO 61 8.027 1.505 -7.908 474 2HG PRO 61 HG1 PRO 61 6.428 1.326 -8.642 475 1HD PRO 61 HD2 PRO 61 8.707 -0.457 -8.812 476 2HD PRO 61 HD1 PRO 61 7.060 -0.714 -9.410 477 H ASN 62 HN ASN 62 10.449 1.414 -9.615 478 HA ASN 62 HA ASN 62 12.463 1.994 -11.640 479 1HB ASN 62 HB2 ASN 62 13.171 3.932 -9.782 480 2HB ASN 62 HB1 ASN 62 12.452 4.242 -11.363 481 1HD2 ASN 62 HD22 ASN 62 9.268 5.106 -10.048 482 2HD2 ASN 62 HD21 ASN 62 10.151 4.733 -11.449 483 H MET 63 HN MET 63 11.706 1.772 -8.173 484 HA MET 63 HA MET 63 14.162 0.095 -7.834 485 1HB MET 63 HB2 MET 63 13.146 2.252 -5.955 486 2HB MET 63 HB1 MET 63 14.451 1.126 -5.581 487 1HG MET 63 HG2 MET 63 15.006 2.283 -8.132 488 2HG MET 63 HG1 MET 63 14.608 3.592 -7.020 489 1HE MET 63 HE1 MET 63 15.125 3.402 -4.690 490 2HE MET 63 HE3 MET 63 16.618 2.799 -3.958 491 3HE MET 63 HE2 MET 63 16.625 4.310 -4.865 492 H ASP 64 HN ASP 64 13.916 -0.951 -5.456 493 HA ASP 64 HA ASP 64 11.462 -2.525 -5.597 494 1HB ASP 64 HB2 ASP 64 12.503 -3.419 -3.340 495 2HB ASP 64 HB1 ASP 64 13.253 -3.832 -4.882 496 H GLY 65 HN GLY 65 9.838 -2.615 -3.934 497 1HA GLY 65 HA2 GLY 65 9.306 -0.018 -2.704 498 2HA GLY 65 HA1 GLY 65 8.267 -1.438 -2.606 499 H LEU 66 HN LEU 66 10.795 -2.983 -1.749 500 HA LEU 66 HA LEU 66 10.344 -3.115 1.004 501 1HB LEU 66 HB2 LEU 66 11.778 -4.715 -0.215 502 2HB LEU 66 HB1 LEU 66 12.990 -3.458 -0.451 503 HG LEU 66 HG LEU 66 13.284 -3.273 1.996 504 1HD1 LEU 66 HD11 LEU 66 10.976 -5.167 1.946 505 2HD1 LEU 66 HD13 LEU 66 12.195 -5.397 3.200 506 3HD1 LEU 66 HD12 LEU 66 11.334 -3.862 3.078 507 1HD2 LEU 66 HD23 LEU 66 13.659 -5.860 0.548 508 2HD2 LEU 66 HD22 LEU 66 14.864 -4.767 1.226 509 3HD2 LEU 66 HD21 LEU 66 13.957 -5.846 2.285 510 H GLU 67 HN GLU 67 12.145 -0.757 -0.841 511 HA GLU 67 HA GLU 67 13.331 0.492 1.534 512 1HB GLU 67 HB2 GLU 67 13.890 0.524 -1.211 513 2HB GLU 67 HB1 GLU 67 13.295 2.148 -0.861 514 1HG GLU 67 HG2 GLU 67 15.674 2.166 -0.482 515 2HG GLU 67 HG1 GLU 67 14.895 2.208 1.100 516 H LEU 68 HN LEU 68 10.503 0.909 -0.516 517 HA LEU 68 HA LEU 68 9.790 3.557 0.232 518 1HB LEU 68 HB2 LEU 68 8.423 1.227 -0.937 519 2HB LEU 68 HB1 LEU 68 7.362 2.213 0.054 520 HG LEU 68 HG LEU 68 9.103 3.703 -1.854 521 1HD1 LEU 68 HD13 LEU 68 6.982 1.752 -2.699 522 2HD1 LEU 68 HD12 LEU 68 7.241 3.239 -3.610 523 3HD1 LEU 68 HD11 LEU 68 8.553 2.075 -3.433 524 1HD2 LEU 68 HD22 LEU 68 7.405 4.784 -0.390 525 2HD2 LEU 68 HD21 LEU 68 7.036 4.997 -2.101 526 3HD2 LEU 68 HD23 LEU 68 6.152 3.808 -1.153 527 H LEU 69 HN LEU 69 9.368 0.474 1.924 528 HA LEU 69 HA LEU 69 7.867 1.829 4.070 529 1HB LEU 69 HB2 LEU 69 8.907 -0.791 4.802 530 2HB LEU 69 HB1 LEU 69 7.264 -0.195 4.813 531 HG LEU 69 HG LEU 69 8.324 -0.855 2.116 532 1HD1 LEU 69 HD13 LEU 69 8.009 -2.858 4.331 533 2HD1 LEU 69 HD12 LEU 69 7.641 -3.299 2.669 534 3HD1 LEU 69 HD11 LEU 69 9.264 -2.766 3.102 535 1HD2 LEU 69 HD22 LEU 69 5.988 -0.131 2.640 536 2HD2 LEU 69 HD21 LEU 69 6.073 -1.724 1.885 537 3HD2 LEU 69 HD23 LEU 69 5.808 -1.587 3.622 538 H LYS 70 HN LYS 70 10.839 -0.135 3.962 539 HA LYS 70 HA LYS 70 11.911 0.419 6.437 540 1HB LYS 70 HB2 LYS 70 13.032 -0.148 3.768 541 2HB LYS 70 HB1 LYS 70 14.159 0.598 4.893 542 1HG LYS 70 HG2 LYS 70 12.481 -1.845 5.543 543 2HG LYS 70 HG1 LYS 70 14.145 -1.926 4.968 544 1HD LYS 70 HD2 LYS 70 14.406 -0.160 7.044 545 2HD LYS 70 HD1 LYS 70 13.106 -1.193 7.638 546 1HE LYS 70 HE2 LYS 70 15.278 -2.108 8.312 547 2HE LYS 70 HE1 LYS 70 14.494 -3.191 7.160 548 1HZ LYS 70 HZ1 LYS 70 16.467 -1.123 6.372 549 2HZ LYS 70 HZ3 LYS 70 16.888 -2.731 6.712 550 3HZ LYS 70 HZ2 LYS 70 15.849 -2.382 5.414 551 H THR 71 HN THR 71 11.574 2.656 3.774 552 HA THR 71 HA THR 71 13.411 4.643 4.823 553 HB THR 71 HB THR 71 12.024 6.172 3.256 554 HG1 THR 71 HG1 THR 71 11.091 4.268 1.741 555 1HG2 THR 71 HG22 THR 71 13.676 3.793 2.490 556 2HG2 THR 71 HG21 THR 71 12.939 4.765 1.217 557 3HG2 THR 71 HG23 THR 71 14.060 5.509 2.356 558 H ILE 72 HN ILE 72 9.921 4.062 5.072 559 HA ILE 72 HA ILE 72 9.265 6.458 6.489 560 HB ILE 72 HB ILE 72 7.953 3.725 6.642 561 1HG1 ILE 72 HG12 ILE 72 7.206 6.111 4.926 562 2HG1 ILE 72 HG11 ILE 72 8.192 4.774 4.339 563 1HG2 ILE 72 HG21 ILE 72 7.376 6.331 7.862 564 2HG2 ILE 72 HG23 ILE 72 6.014 5.670 6.958 565 3HG2 ILE 72 HG22 ILE 72 6.741 4.737 8.266 566 1HD1 ILE 72 HD13 ILE 72 6.295 3.227 5.094 567 2HD1 ILE 72 HD12 ILE 72 5.321 4.683 5.288 568 3HD1 ILE 72 HD11 ILE 72 5.950 4.249 3.700 569 NH1 ARG 73 NH2 ARG 73 12.640 -0.514 11.628 570 NH2 ARG 73 NH1 ARG 73 11.606 -2.389 10.905 571 H ARG 73 HN ARG 73 10.152 3.197 7.634 572 HA ARG 73 HA ARG 73 9.906 3.738 10.421 573 1HB ARG 73 HB2 ARG 73 11.590 1.783 8.848 574 2HB ARG 73 HB1 ARG 73 11.647 1.848 10.609 575 1HG ARG 73 HG2 ARG 73 9.359 1.255 10.817 576 2HG ARG 73 HG1 ARG 73 9.031 1.605 9.120 577 1HD ARG 73 HD2 ARG 73 9.493 -0.901 10.077 578 2HD ARG 73 HD1 ARG 73 9.822 -0.414 8.415 579 HE ARG 73 HE ARG 73 12.178 -0.201 8.999 580 1HH1 ARG 73 HH21 ARG 73 12.883 0.447 11.496 581 2HH1 ARG 73 HH22 ARG 73 12.946 -0.999 12.447 582 1HH2 ARG 73 HH11 ARG 73 11.057 -2.866 10.217 583 2HH2 ARG 73 HH12 ARG 73 11.912 -2.874 11.724 584 H ALA 74 HN ALA 74 12.440 4.489 8.111 585 HA ALA 74 HA ALA 74 14.661 4.926 9.727 586 1HB ALA 74 HB2 ALA 74 14.064 5.523 7.145 587 2HB ALA 74 HB1 ALA 74 14.056 7.141 7.849 588 3HB ALA 74 HB3 ALA 74 15.498 6.131 7.973 589 H ASP 75 HN ASP 75 11.679 6.760 9.627 590 HA ASP 75 HA ASP 75 12.809 8.899 11.322 591 1HB ASP 75 HB2 ASP 75 10.854 8.937 9.426 592 2HB ASP 75 HB1 ASP 75 9.882 8.773 10.890 593 H GLY 76 HN GLY 76 10.316 9.277 12.822 594 1HA GLY 76 HA2 GLY 76 10.066 6.819 14.444 595 2HA GLY 76 HA1 GLY 76 10.741 8.230 15.262 596 H ALA 77 HN ALA 77 8.859 9.764 13.229 597 HA ALA 77 HA ALA 77 6.617 9.895 15.150 598 1HB ALA 77 HB1 ALA 77 7.795 11.936 14.098 599 2HB ALA 77 HB3 ALA 77 6.908 11.532 12.628 600 3HB ALA 77 HB2 ALA 77 6.032 11.942 14.104 601 H MET 78 HN MET 78 7.319 8.748 11.919 602 HA MET 78 HA MET 78 4.449 8.276 11.364 603 1HB MET 78 HB2 MET 78 6.924 7.688 9.709 604 2HB MET 78 HB1 MET 78 5.262 7.481 9.161 605 1HG MET 78 HG2 MET 78 5.178 10.057 10.050 606 2HG MET 78 HG1 MET 78 6.847 9.960 9.489 607 1HE MET 78 HE3 MET 78 7.472 8.668 7.639 608 2HE MET 78 HE2 MET 78 6.576 8.342 6.157 609 3HE MET 78 HE1 MET 78 7.301 9.927 6.409 610 H SER 79 HN SER 79 7.057 6.690 12.828 611 HA SER 79 HA SER 79 7.401 4.465 13.487 612 1HB SER 79 HB2 SER 79 5.268 4.911 14.645 613 2HB SER 79 HB1 SER 79 4.381 4.420 13.206 614 HG SER 79 HG SER 79 4.610 2.447 13.861 615 H ALA 80 HN ALA 80 4.717 2.984 12.100 616 HA ALA 80 HA ALA 80 6.003 2.434 9.503 617 1HB ALA 80 HB2 ALA 80 6.969 0.795 11.173 618 2HB ALA 80 HB1 ALA 80 5.336 0.174 11.413 619 3HB ALA 80 HB3 ALA 80 6.107 0.041 9.833 620 H LEU 81 HN LEU 81 3.792 3.802 9.584 621 HA LEU 81 HA LEU 81 1.283 2.896 10.000 622 1HB LEU 81 HB2 LEU 81 2.491 4.400 7.715 623 2HB LEU 81 HB1 LEU 81 0.803 3.934 7.601 624 HG LEU 81 HG LEU 81 1.840 5.298 10.083 625 1HD1 LEU 81 HD11 LEU 81 1.402 6.459 7.379 626 2HD1 LEU 81 HD13 LEU 81 0.729 7.359 8.738 627 3HD1 LEU 81 HD12 LEU 81 2.456 7.007 8.682 628 1HD2 LEU 81 HD22 LEU 81 -0.844 5.066 8.702 629 2HD2 LEU 81 HD21 LEU 81 -0.405 4.448 10.290 630 3HD2 LEU 81 HD23 LEU 81 -0.552 6.183 10.027 631 HA PRO 82 HA PRO 82 0.575 -0.922 7.860 632 1HB PRO 82 HB2 PRO 82 -1.933 -0.164 6.683 633 2HB PRO 82 HB1 PRO 82 -1.668 -1.181 8.095 634 1HG PRO 82 HG2 PRO 82 -2.645 1.537 8.024 635 2HG PRO 82 HG1 PRO 82 -2.435 0.493 9.436 636 1HD PRO 82 HD2 PRO 82 -0.864 2.765 8.737 637 2HD PRO 82 HD1 PRO 82 -0.577 1.623 10.062 638 H VAL 83 HN VAL 83 1.039 -1.729 5.850 639 HA VAL 83 HA VAL 83 0.691 0.042 3.477 640 HB VAL 83 HB VAL 83 3.195 -1.378 4.359 641 1HG1 VAL 83 HG13 VAL 83 2.163 -0.997 1.541 642 2HG1 VAL 83 HG12 VAL 83 3.888 -0.939 1.863 643 3HG1 VAL 83 HG11 VAL 83 2.978 -2.399 2.240 644 1HG2 VAL 83 HG23 VAL 83 2.516 1.221 4.387 645 2HG2 VAL 83 HG22 VAL 83 4.168 0.693 4.061 646 3HG2 VAL 83 HG21 VAL 83 3.097 1.116 2.726 647 H LEU 84 HN LEU 84 -0.302 -1.020 1.867 648 HA LEU 84 HA LEU 84 -0.377 -3.983 2.067 649 1HB LEU 84 HB2 LEU 84 -2.558 -2.971 2.416 650 2HB LEU 84 HB1 LEU 84 -2.426 -2.110 0.884 651 HG LEU 84 HG LEU 84 -2.373 -4.263 -0.317 652 1HD1 LEU 84 HD11 LEU 84 -2.324 -5.323 2.492 653 2HD1 LEU 84 HD13 LEU 84 -3.096 -6.275 1.226 654 3HD1 LEU 84 HD12 LEU 84 -1.390 -5.848 1.092 655 1HD2 LEU 84 HD22 LEU 84 -4.605 -3.813 1.667 656 2HD2 LEU 84 HD21 LEU 84 -4.545 -3.336 -0.029 657 3HD2 LEU 84 HD23 LEU 84 -4.697 -5.038 0.406 658 H MET 85 HN MET 85 1.687 -3.863 0.949 659 HA MET 85 HA MET 85 2.137 -2.744 -1.567 660 1HB MET 85 HB2 MET 85 3.256 -4.985 -0.005 661 2HB MET 85 HB1 MET 85 3.467 -5.149 -1.749 662 1HG MET 85 HG2 MET 85 4.666 -3.114 -1.910 663 2HG MET 85 HG1 MET 85 4.119 -2.572 -0.323 664 1HE MET 85 HE1 MET 85 6.944 -2.138 -0.802 665 2HE MET 85 HE3 MET 85 8.112 -3.457 -0.646 666 3HE MET 85 HE2 MET 85 7.064 -3.365 -2.060 667 H VAL 86 HN VAL 86 2.339 -4.141 -3.653 668 HA VAL 86 HA VAL 86 0.127 -6.099 -3.900 669 HB VAL 86 HB VAL 86 0.378 -3.656 -5.680 670 1HG1 VAL 86 HG12 VAL 86 -1.487 -6.024 -5.572 671 2HG1 VAL 86 HG11 VAL 86 -1.979 -4.504 -6.320 672 3HG1 VAL 86 HG13 VAL 86 -0.591 -5.390 -6.953 673 1HG2 VAL 86 HG23 VAL 86 -1.484 -4.303 -3.379 674 2HG2 VAL 86 HG22 VAL 86 -0.420 -2.908 -3.542 675 3HG2 VAL 86 HG21 VAL 86 -1.839 -3.059 -4.576 676 H THR 87 HN THR 87 0.864 -7.798 -5.102 677 HA THR 87 HA THR 87 2.731 -7.246 -7.345 678 HB THR 87 HB THR 87 4.140 -7.588 -5.283 679 HG1 THR 87 HG1 THR 87 4.468 -8.469 -7.634 680 1HG2 THR 87 HG22 THR 87 2.297 -9.500 -4.668 681 2HG2 THR 87 HG21 THR 87 3.600 -10.489 -5.325 682 3HG2 THR 87 HG23 THR 87 3.909 -9.419 -3.956 683 H ALA 88 HN ALA 88 3.328 -9.537 -8.348 684 HA ALA 88 HA ALA 88 0.821 -11.181 -8.380 685 1HB ALA 88 HB2 ALA 88 1.930 -9.735 -10.484 686 2HB ALA 88 HB1 ALA 88 2.496 -11.382 -10.766 687 3HB ALA 88 HB3 ALA 88 0.767 -11.054 -10.636 688 H GLU 89 HN GLU 89 4.357 -11.227 -8.807 689 HA GLU 89 HA GLU 89 4.335 -14.178 -8.402 690 1HB GLU 89 HB2 GLU 89 6.723 -12.445 -9.066 691 2HB GLU 89 HB1 GLU 89 6.551 -14.186 -9.289 692 1HG GLU 89 HG2 GLU 89 4.635 -13.666 -10.888 693 2HG GLU 89 HG1 GLU 89 5.152 -11.981 -10.816 694 H ALA 90 HN ALA 90 3.697 -13.547 -6.059 695 HA ALA 90 HA ALA 90 5.630 -12.298 -4.343 696 1HB ALA 90 HB2 ALA 90 3.056 -13.110 -4.011 697 2HB ALA 90 HB1 ALA 90 3.905 -14.405 -3.169 698 3HB ALA 90 HB3 ALA 90 4.134 -12.731 -2.668 699 H LYS 91 HN LYS 91 7.680 -13.115 -4.236 700 HA LYS 91 HA LYS 91 8.260 -15.938 -4.574 701 1HB LYS 91 HB2 LYS 91 9.880 -14.172 -5.192 702 2HB LYS 91 HB1 LYS 91 10.011 -13.706 -3.498 703 1HG LYS 91 HG2 LYS 91 11.434 -15.396 -3.041 704 2HG LYS 91 HG1 LYS 91 10.396 -16.573 -3.842 705 1HD LYS 91 HD2 LYS 91 12.499 -16.541 -5.022 706 2HD LYS 91 HD1 LYS 91 11.311 -15.750 -6.054 707 1HE LYS 91 HE2 LYS 91 12.116 -13.546 -4.943 708 2HE LYS 91 HE1 LYS 91 13.501 -14.492 -4.403 709 1HZ LYS 91 HZ2 LYS 91 13.061 -15.058 -7.102 710 2HZ LYS 91 HZ1 LYS 91 13.046 -13.368 -6.926 711 3HZ LYS 91 HZ3 LYS 91 14.388 -14.263 -6.400 712 H LYS 92 HN LYS 92 10.097 -14.750 -2.005 713 HA LYS 92 HA LYS 92 8.324 -15.615 0.155 714 1HB LYS 92 HB2 LYS 92 9.111 -17.784 -0.772 715 2HB LYS 92 HB1 LYS 92 10.779 -17.271 -0.516 716 1HG LYS 92 HG2 LYS 92 10.370 -17.077 1.901 717 2HG LYS 92 HG1 LYS 92 8.684 -17.538 1.664 718 1HD LYS 92 HD2 LYS 92 9.581 -19.599 2.212 719 2HD LYS 92 HD1 LYS 92 9.793 -19.639 0.462 720 1HE LYS 92 HE2 LYS 92 12.101 -18.710 0.777 721 2HE LYS 92 HE1 LYS 92 11.876 -18.853 2.520 722 1HZ LYS 92 HZ2 LYS 92 11.141 -21.289 1.504 723 2HZ LYS 92 HZ1 LYS 92 12.525 -20.866 0.614 724 3HZ LYS 92 HZ3 LYS 92 12.593 -20.927 2.307 725 H GLU 93 HN GLU 93 11.873 -15.769 -0.172 726 HA GLU 93 HA GLU 93 12.539 -14.562 2.227 727 1HB GLU 93 HB2 GLU 93 14.020 -15.486 0.224 728 2HB GLU 93 HB1 GLU 93 14.125 -13.773 -0.183 729 1HG GLU 93 HG2 GLU 93 14.813 -13.346 2.217 730 2HG GLU 93 HG1 GLU 93 14.939 -15.094 2.416 731 H ASN 94 HN ASN 94 10.947 -13.095 -0.420 732 HA ASN 94 HA ASN 94 11.771 -10.361 0.311 733 1HB ASN 94 HB2 ASN 94 10.139 -11.606 -1.866 734 2HB ASN 94 HB1 ASN 94 9.873 -9.907 -1.484 735 1HD2 ASN 94 HD22 ASN 94 13.824 -10.409 -2.228 736 2HD2 ASN 94 HD21 ASN 94 13.081 -11.111 -0.872 737 H ILE 95 HN ILE 95 8.592 -11.932 -0.102 738 HA ILE 95 HA ILE 95 7.030 -10.067 1.256 739 HB ILE 95 HB ILE 95 6.825 -13.040 0.905 740 1HG1 ILE 95 HG12 ILE 95 4.842 -12.407 -0.364 741 2HG1 ILE 95 HG11 ILE 95 4.976 -10.740 0.197 742 1HG2 ILE 95 HG22 ILE 95 5.185 -11.330 2.775 743 2HG2 ILE 95 HG21 ILE 95 4.491 -12.754 2.001 744 3HG2 ILE 95 HG23 ILE 95 5.884 -12.924 3.069 745 1HD1 ILE 95 HD13 ILE 95 7.235 -12.069 -1.295 746 2HD1 ILE 95 HD12 ILE 95 5.908 -11.286 -2.153 747 3HD1 ILE 95 HD11 ILE 95 6.933 -10.347 -1.069 748 H ILE 96 HN ILE 96 8.994 -12.679 2.664 749 HA ILE 96 HA ILE 96 8.103 -12.238 5.368 750 HB ILE 96 HB ILE 96 10.510 -13.585 4.157 751 1HG1 ILE 96 HG12 ILE 96 8.336 -14.677 5.962 752 2HG1 ILE 96 HG11 ILE 96 8.162 -14.612 4.208 753 1HG2 ILE 96 HG22 ILE 96 9.958 -12.875 7.031 754 2HG2 ILE 96 HG21 ILE 96 10.836 -14.354 6.639 755 3HG2 ILE 96 HG23 ILE 96 11.479 -12.789 6.140 756 1HD1 ILE 96 HD13 ILE 96 10.232 -15.950 3.962 757 2HD1 ILE 96 HD12 ILE 96 10.373 -16.039 5.719 758 3HD1 ILE 96 HD11 ILE 96 9.014 -16.813 4.902 759 H ALA 97 HN ALA 97 11.312 -11.518 3.987 760 HA ALA 97 HA ALA 97 12.326 -9.879 5.969 761 1HB ALA 97 HB1 ALA 97 12.622 -9.897 2.995 762 2HB ALA 97 HB3 ALA 97 13.281 -8.522 3.880 763 3HB ALA 97 HB2 ALA 97 13.842 -10.155 4.242 764 H ALA 98 HN ALA 98 10.363 -8.754 3.220 765 HA ALA 98 HA ALA 98 10.145 -6.055 4.060 766 1HB ALA 98 HB3 ALA 98 9.305 -7.462 1.895 767 2HB ALA 98 HB2 ALA 98 7.775 -7.233 2.737 768 3HB ALA 98 HB1 ALA 98 8.750 -5.833 2.278 769 H ALA 99 HN ALA 99 8.025 -8.846 4.774 770 HA ALA 99 HA ALA 99 6.008 -7.519 6.160 771 1HB ALA 99 HB1 ALA 99 6.057 -9.977 5.738 772 2HB ALA 99 HB3 ALA 99 7.281 -10.140 6.997 773 3HB ALA 99 HB2 ALA 99 5.658 -9.589 7.410 774 H GLN 100 HN GLN 100 9.139 -8.644 7.462 775 HA GLN 100 HA GLN 100 8.748 -7.733 10.125 776 1HB GLN 100 HB2 GLN 100 11.344 -7.832 8.555 777 2HB GLN 100 HB1 GLN 100 11.195 -7.783 10.313 778 1HG GLN 100 HG2 GLN 100 9.544 -9.903 9.527 779 2HG GLN 100 HG1 GLN 100 10.982 -10.060 8.518 780 1HE2 GLN 100 HE22 GLN 100 13.020 -11.152 11.176 781 2HE2 GLN 100 HE21 GLN 100 12.868 -10.869 9.508 782 H ALA 101 HN ALA 101 9.421 -5.966 7.197 783 HA ALA 101 HA ALA 101 10.323 -3.568 8.641 784 1HB ALA 101 HB3 ALA 101 9.864 -4.260 5.751 785 2HB ALA 101 HB2 ALA 101 9.995 -2.571 6.230 786 3HB ALA 101 HB1 ALA 101 11.330 -3.681 6.536 787 H GLY 102 HN GLY 102 8.129 -2.935 6.084 788 1HA GLY 102 HA2 GLY 102 5.966 -2.267 7.986 789 2HA GLY 102 HA1 GLY 102 6.473 -1.101 6.780 790 H ALA 103 HN ALA 103 6.900 -3.876 5.254 791 HA ALA 103 HA ALA 103 4.722 -3.715 3.447 792 1HB ALA 103 HB1 ALA 103 7.052 -5.275 3.756 793 2HB ALA 103 HB3 ALA 103 5.713 -6.409 3.604 794 3HB ALA 103 HB2 ALA 103 5.994 -5.200 2.349 795 H SER 104 HN SER 104 4.332 -4.214 6.510 796 HA SER 104 HA SER 104 3.215 -6.459 7.415 797 1HB SER 104 HB2 SER 104 1.817 -3.769 7.457 798 2HB SER 104 HB1 SER 104 1.307 -5.145 8.431 799 HG SER 104 HG SER 104 2.791 -4.527 9.779 800 H GLY 105 HN GLY 105 1.746 -4.626 4.776 801 1HA GLY 105 HA2 GLY 105 -0.288 -6.812 4.523 802 2HA GLY 105 HA1 GLY 105 -0.582 -5.152 4.024 803 OH TYR 106 OH TYR 106 1.843 -13.457 -1.988 804 H TYR 106 HN TYR 106 -0.161 -8.023 2.710 805 HA TYR 106 HA TYR 106 1.084 -6.892 0.275 806 1HB TYR 106 HB2 TYR 106 3.021 -8.006 0.589 807 2HB TYR 106 HB1 TYR 106 2.381 -8.836 2.003 808 HD1 TYR 106 HD1 TYR 106 2.576 -8.967 -1.737 809 HD2 TYR 106 HD2 TYR 106 1.592 -11.080 1.876 810 HE1 TYR 106 HE1 TYR 106 2.428 -11.093 -2.998 811 HE2 TYR 106 HE2 TYR 106 1.445 -13.194 0.606 812 HH TYR 106 HH TYR 106 1.604 -13.243 -2.893 813 H VAL 107 HN VAL 107 -0.557 -7.154 -1.116 814 HA VAL 107 HA VAL 107 -2.114 -9.707 -1.034 815 HB VAL 107 HB VAL 107 -3.386 -7.551 -0.716 816 1HG1 VAL 107 HG12 VAL 107 -1.769 -6.443 -2.490 817 2HG1 VAL 107 HG11 VAL 107 -2.969 -7.031 -3.642 818 3HG1 VAL 107 HG13 VAL 107 -3.445 -5.910 -2.367 819 1HG2 VAL 107 HG22 VAL 107 -3.939 -9.184 -3.217 820 2HG2 VAL 107 HG21 VAL 107 -4.524 -9.528 -1.590 821 3HG2 VAL 107 HG23 VAL 107 -5.103 -8.104 -2.454 822 H VAL 108 HN VAL 108 -1.669 -11.091 -2.687 823 HA VAL 108 HA VAL 108 0.140 -10.442 -4.776 824 HB VAL 108 HB VAL 108 -2.064 -12.495 -5.124 825 1HG1 VAL 108 HG12 VAL 108 0.852 -12.304 -5.918 826 2HG1 VAL 108 HG11 VAL 108 -0.047 -13.816 -5.990 827 3HG1 VAL 108 HG13 VAL 108 -0.558 -12.445 -6.968 828 1HG2 VAL 108 HG23 VAL 108 -0.015 -12.369 -2.996 829 2HG2 VAL 108 HG22 VAL 108 -1.542 -13.247 -3.037 830 3HG2 VAL 108 HG21 VAL 108 -0.121 -13.910 -3.844 831 H LYS 109 HN LYS 109 -0.938 -10.743 -7.260 832 HA LYS 109 HA LYS 109 -3.499 -9.333 -7.418 833 1HB LYS 109 HB2 LYS 109 -2.745 -7.259 -7.876 834 2HB LYS 109 HB1 LYS 109 -1.166 -7.811 -7.338 835 1HG LYS 109 HG2 LYS 109 -0.664 -8.536 -9.687 836 2HG LYS 109 HG1 LYS 109 -2.209 -7.838 -10.192 837 1HD LYS 109 HD2 LYS 109 -1.449 -5.649 -9.217 838 2HD LYS 109 HD1 LYS 109 0.137 -6.379 -8.959 839 1HE LYS 109 HE2 LYS 109 0.426 -6.762 -11.324 840 2HE LYS 109 HE1 LYS 109 -1.239 -6.282 -11.655 841 1HZ LYS 109 HZ3 LYS 109 0.829 -4.505 -10.481 842 2HZ LYS 109 HZ2 LYS 109 0.379 -4.513 -12.120 843 3HZ LYS 109 HZ1 LYS 109 -0.746 -4.064 -10.929 844 HA PRO 110 HA PRO 110 -4.404 -8.065 -9.308 845 1HB PRO 110 HB2 PRO 110 -6.554 -9.220 -10.816 846 2HB PRO 110 HB1 PRO 110 -5.538 -7.845 -11.270 847 1HG PRO 110 HG2 PRO 110 -5.537 -10.430 -12.471 848 2HG PRO 110 HG1 PRO 110 -4.402 -9.111 -12.790 849 1HD PRO 110 HD2 PRO 110 -3.975 -11.573 -11.250 850 2HD PRO 110 HD1 PRO 110 -2.777 -10.406 -11.847 851 H PHE 111 HN PHE 111 -6.560 -7.964 -8.167 852 HA PHE 111 HA PHE 111 -7.346 -10.576 -6.923 853 1HB PHE 111 HB2 PHE 111 -7.950 -8.987 -4.904 854 2HB PHE 111 HB1 PHE 111 -6.299 -9.557 -5.100 855 HD1 PHE 111 HD1 PHE 111 -8.558 -6.744 -6.175 856 HD2 PHE 111 HD2 PHE 111 -4.594 -7.985 -5.112 857 HE1 PHE 111 HE1 PHE 111 -7.747 -4.422 -6.448 858 HE2 PHE 111 HE2 PHE 111 -3.787 -5.665 -5.373 859 HZ PHE 111 HZ PHE 111 -5.363 -3.877 -6.042 860 H THR 112 HN THR 112 -9.542 -10.610 -6.143 861 HA THR 112 HA THR 112 -11.349 -8.962 -7.818 862 HB THR 112 HB THR 112 -12.517 -10.918 -5.930 863 HG1 THR 112 HG1 THR 112 -10.351 -11.684 -6.946 864 1HG2 THR 112 HG23 THR 112 -13.618 -9.658 -7.882 865 2HG2 THR 112 HG22 THR 112 -12.759 -10.780 -8.936 866 3HG2 THR 112 HG21 THR 112 -13.936 -11.388 -7.771 867 H ALA 113 HN ALA 113 -12.856 -7.526 -6.787 868 HA ALA 113 HA ALA 113 -11.999 -6.147 -4.533 869 1HB ALA 113 HB3 ALA 113 -13.958 -5.585 -6.136 870 2HB ALA 113 HB2 ALA 113 -14.950 -6.550 -5.042 871 3HB ALA 113 HB1 ALA 113 -14.130 -5.106 -4.447 872 H ALA 114 HN ALA 114 -13.465 -9.263 -4.630 873 HA ALA 114 HA ALA 114 -14.211 -9.192 -1.788 874 1HB ALA 114 HB2 ALA 114 -14.163 -11.379 -3.885 875 2HB ALA 114 HB1 ALA 114 -14.514 -11.716 -2.189 876 3HB ALA 114 HB3 ALA 114 -15.572 -10.651 -3.114 877 H THR 115 HN THR 115 -11.587 -10.359 -3.836 878 HA THR 115 HA THR 115 -10.193 -11.712 -1.693 879 HB THR 115 HB THR 115 -9.359 -10.715 -4.406 880 HG1 THR 115 HG1 THR 115 -10.254 -12.599 -4.712 881 1HG2 THR 115 HG21 THR 115 -7.666 -11.875 -2.199 882 2HG2 THR 115 HG23 THR 115 -7.205 -12.020 -3.894 883 3HG2 THR 115 HG22 THR 115 -7.360 -10.427 -3.157 884 H LEU 116 HN LEU 116 -9.461 -8.544 -3.373 885 HA LEU 116 HA LEU 116 -7.549 -7.675 -1.531 886 1HB LEU 116 HB2 LEU 116 -8.970 -6.482 -3.610 887 2HB LEU 116 HB1 LEU 116 -9.490 -5.565 -2.204 888 HG LEU 116 HG LEU 116 -6.717 -5.826 -3.383 889 1HD1 LEU 116 HD11 LEU 116 -8.560 -3.565 -2.616 890 2HD1 LEU 116 HD13 LEU 116 -6.826 -3.300 -2.724 891 3HD1 LEU 116 HD12 LEU 116 -7.717 -3.843 -4.131 892 1HD2 LEU 116 HD22 LEU 116 -7.399 -5.502 -0.515 893 2HD2 LEU 116 HD21 LEU 116 -5.912 -6.087 -1.267 894 3HD2 LEU 116 HD23 LEU 116 -6.240 -4.362 -1.174 895 H GLU 117 HN GLU 117 -11.111 -7.362 -1.309 896 HA GLU 117 HA GLU 117 -11.246 -5.981 1.132 897 1HB GLU 117 HB2 GLU 117 -13.232 -6.345 -0.212 898 2HB GLU 117 HB1 GLU 117 -13.103 -8.091 0.012 899 1HG GLU 117 HG2 GLU 117 -13.128 -6.570 2.532 900 2HG GLU 117 HG1 GLU 117 -14.613 -6.419 1.591 901 H GLU 118 HN GLU 118 -11.269 -9.508 0.626 902 HA GLU 118 HA GLU 118 -11.446 -10.334 3.293 903 1HB GLU 118 HB2 GLU 118 -11.168 -11.659 0.979 904 2HB GLU 118 HB1 GLU 118 -9.509 -11.797 1.562 905 1HG GLU 118 HG2 GLU 118 -10.507 -12.578 3.785 906 2HG GLU 118 HG1 GLU 118 -12.037 -12.739 2.922 907 H LYS 119 HN LYS 119 -8.309 -10.243 1.563 908 HA LYS 119 HA LYS 119 -6.618 -10.468 3.746 909 1HB LYS 119 HB2 LYS 119 -6.363 -8.935 1.172 910 2HB LYS 119 HB1 LYS 119 -5.080 -8.857 2.379 911 1HG LYS 119 HG2 LYS 119 -6.153 -11.550 1.662 912 2HG LYS 119 HG1 LYS 119 -5.104 -10.754 0.492 913 1HD LYS 119 HD2 LYS 119 -4.377 -11.082 3.416 914 2HD LYS 119 HD1 LYS 119 -3.913 -12.245 2.176 915 1HE LYS 119 HE2 LYS 119 -2.142 -10.964 1.648 916 2HE LYS 119 HE1 LYS 119 -3.221 -9.640 1.218 917 1HZ LYS 119 HZ2 LYS 119 -3.255 -9.584 3.914 918 2HZ LYS 119 HZ1 LYS 119 -1.648 -10.028 3.594 919 3HZ LYS 119 HZ3 LYS 119 -2.278 -8.599 2.934 920 H LEU 120 HN LEU 120 -8.336 -7.558 2.696 921 HA LEU 120 HA LEU 120 -6.983 -5.709 4.402 922 1HB LEU 120 HB2 LEU 120 -8.791 -5.377 2.478 923 2HB LEU 120 HB1 LEU 120 -9.903 -5.372 3.848 924 HG LEU 120 HG LEU 120 -8.114 -3.704 4.870 925 1HD1 LEU 120 HD12 LEU 120 -6.771 -4.140 2.629 926 2HD1 LEU 120 HD11 LEU 120 -7.859 -2.905 1.993 927 3HD1 LEU 120 HD13 LEU 120 -6.802 -2.532 3.354 928 1HD2 LEU 120 HD22 LEU 120 -10.242 -3.103 2.806 929 2HD2 LEU 120 HD21 LEU 120 -10.369 -2.996 4.562 930 3HD2 LEU 120 HD23 LEU 120 -9.396 -1.822 3.674 931 H ASN 121 HN ASN 121 -10.278 -7.022 4.913 932 HA ASN 121 HA ASN 121 -10.659 -6.238 7.539 933 1HB ASN 121 HB2 ASN 121 -11.684 -8.389 5.839 934 2HB ASN 121 HB1 ASN 121 -11.707 -8.804 7.554 935 1HD2 ASN 121 HD22 ASN 121 -14.630 -6.513 6.264 936 2HD2 ASN 121 HD21 ASN 121 -13.761 -7.642 5.343 937 H LYS 122 HN LYS 122 -8.538 -8.806 6.409 938 HA LYS 122 HA LYS 122 -8.170 -10.054 8.981 939 1HB LYS 122 HB2 LYS 122 -7.467 -11.414 7.220 940 2HB LYS 122 HB1 LYS 122 -6.669 -10.085 6.381 941 1HG LYS 122 HG2 LYS 122 -4.811 -10.122 7.830 942 2HG LYS 122 HG1 LYS 122 -5.688 -11.009 9.077 943 1HD LYS 122 HD2 LYS 122 -5.610 -13.037 7.834 944 2HD LYS 122 HD1 LYS 122 -5.122 -12.202 6.360 945 1HE LYS 122 HE2 LYS 122 -2.949 -11.720 7.242 946 2HE LYS 122 HE1 LYS 122 -3.429 -12.209 8.867 947 1HZ LYS 122 HZ1 LYS 122 -3.819 -14.468 7.940 948 2HZ LYS 122 HZ3 LYS 122 -3.118 -13.950 6.485 949 3HZ LYS 122 HZ2 LYS 122 -2.193 -13.976 7.910 950 H ILE 123 HN ILE 123 -6.256 -7.632 7.201 951 HA ILE 123 HA ILE 123 -4.315 -7.302 9.311 952 HB ILE 123 HB ILE 123 -5.094 -5.651 6.911 953 1HG1 ILE 123 HG12 ILE 123 -2.519 -7.068 7.689 954 2HG1 ILE 123 HG11 ILE 123 -3.763 -7.773 6.662 955 1HG2 ILE 123 HG22 ILE 123 -3.240 -4.965 9.192 956 2HG2 ILE 123 HG21 ILE 123 -2.921 -4.346 7.574 957 3HG2 ILE 123 HG23 ILE 123 -4.428 -3.939 8.390 958 1HD1 ILE 123 HD12 ILE 123 -3.343 -5.342 5.440 959 2HD1 ILE 123 HD11 ILE 123 -1.729 -5.743 6.021 960 3HD1 ILE 123 HD13 ILE 123 -2.583 -6.855 4.952 961 H PHE 124 HN PHE 124 -7.334 -5.619 8.483 962 HA PHE 124 HA PHE 124 -6.975 -3.547 10.441 963 1HB PHE 124 HB2 PHE 124 -9.292 -4.530 8.815 964 2HB PHE 124 HB1 PHE 124 -9.556 -3.373 10.119 965 HD1 PHE 124 HD2 PHE 124 -7.416 -4.000 7.129 966 HD2 PHE 124 HD1 PHE 124 -9.096 -1.092 9.802 967 HE1 PHE 124 HE2 PHE 124 -6.536 -2.182 5.705 968 HE2 PHE 124 HE1 PHE 124 -8.209 0.731 8.380 969 HZ PHE 124 HZ PHE 124 -6.931 0.178 6.325 970 H GLU 125 HN GLU 125 -7.508 -6.809 10.897 971 HA GLU 125 HA GLU 125 -9.332 -6.582 13.164 972 1HB GLU 125 HB2 GLU 125 -9.156 -8.701 11.895 973 2HB GLU 125 HB1 GLU 125 -7.460 -8.840 12.363 974 1HG GLU 125 HG2 GLU 125 -7.973 -9.287 14.596 975 2HG GLU 125 HG1 GLU 125 -9.560 -8.524 14.488 976 H LYS 126 HN LYS 126 -5.963 -6.223 12.573 977 HA LYS 126 HA LYS 126 -5.306 -6.346 15.467 978 1HB LYS 126 HB2 LYS 126 -3.586 -7.402 14.284 979 2HB LYS 126 HB1 LYS 126 -3.709 -6.292 12.920 980 1HG LYS 126 HG2 LYS 126 -2.558 -4.577 14.052 981 2HG LYS 126 HG1 LYS 126 -2.841 -5.308 15.633 982 1HD LYS 126 HD2 LYS 126 -1.200 -6.944 15.318 983 2HD LYS 126 HD1 LYS 126 -1.253 -6.797 13.560 984 1HE LYS 126 HE2 LYS 126 -0.454 -4.360 15.065 985 2HE LYS 126 HE1 LYS 126 0.704 -5.690 15.054 986 1HZ LYS 126 HZ2 LYS 126 -0.570 -4.558 12.623 987 2HZ LYS 126 HZ1 LYS 126 0.978 -4.132 13.179 988 3HZ LYS 126 HZ3 LYS 126 0.667 -5.721 12.677 989 H LEU 127 HN LEU 127 -5.895 -4.142 12.850 990 HA LEU 127 HA LEU 127 -4.758 -1.835 14.281 991 1HB LEU 127 HB2 LEU 127 -5.321 -2.404 11.586 992 2HB LEU 127 HB1 LEU 127 -6.508 -1.181 12.036 993 HG LEU 127 HG LEU 127 -4.495 -0.089 11.202 994 1HD1 LEU 127 HD13 LEU 127 -5.754 0.524 13.543 995 2HD1 LEU 127 HD12 LEU 127 -4.082 0.392 14.089 996 3HD1 LEU 127 HD11 LEU 127 -4.504 1.524 12.805 997 1HD2 LEU 127 HD22 LEU 127 -3.196 -2.223 12.561 998 2HD2 LEU 127 HD21 LEU 127 -2.456 -0.967 11.569 999 3HD2 LEU 127 HD23 LEU 127 -2.642 -0.723 13.306 1000 H GLY 128 HN GLY 128 -7.890 -3.325 13.659 1001 1HA GLY 128 HA2 GLY 128 -10.050 -2.717 14.393 1002 2HA GLY 128 HA1 GLY 128 -9.208 -2.424 15.915 1003 H MET 129 HN MET 129 -10.294 -0.886 12.917 1004 HA MET 129 HA MET 129 -9.612 1.786 13.980 1005 1HB MET 129 HB2 MET 129 -10.295 0.646 11.362 1006 2HB MET 129 HB1 MET 129 -11.090 2.189 11.678 1007 1HG MET 129 HG2 MET 129 -8.130 1.763 12.134 1008 2HG MET 129 HG1 MET 129 -8.782 2.336 10.599 1009 1HE MET 129 HE2 MET 129 -7.018 3.808 11.061 1010 2HE MET 129 HE1 MET 129 -7.750 5.403 10.913 1011 3HE MET 129 HE3 MET 129 -6.864 4.965 12.380 Start of MODEL 40 Raw file had 1011 H/Q atoms Start of MODEL 40 1 H ALA 2 HN ALA 2 -14.126 -1.339 8.313 2 HA ALA 2 HA ALA 2 -13.178 0.484 10.193 3 1HB ALA 2 HB3 ALA 2 -11.889 -1.029 8.482 4 2HB ALA 2 HB2 ALA 2 -11.924 0.404 7.456 5 3HB ALA 2 HB1 ALA 2 -11.141 0.471 9.033 6 H ASP 3 HN ASP 3 -12.320 2.728 9.827 7 HA ASP 3 HA ASP 3 -14.261 4.600 9.136 8 1HB ASP 3 HB2 ASP 3 -11.380 4.623 9.571 9 2HB ASP 3 HB1 ASP 3 -11.842 5.792 8.334 10 H LYS 4 HN LYS 4 -15.044 5.410 7.177 11 HA LYS 4 HA LYS 4 -14.032 4.114 4.729 12 1HB LYS 4 HB2 LYS 4 -16.064 5.807 3.920 13 2HB LYS 4 HB1 LYS 4 -16.244 4.098 4.301 14 1HG LYS 4 HG2 LYS 4 -16.755 4.678 6.650 15 2HG LYS 4 HG1 LYS 4 -16.603 6.392 6.249 16 1HD LYS 4 HD2 LYS 4 -18.854 6.228 5.876 17 2HD LYS 4 HD1 LYS 4 -18.342 5.589 4.314 18 1HE LYS 4 HE2 LYS 4 -19.855 3.964 5.092 19 2HE LYS 4 HE1 LYS 4 -18.280 3.291 5.513 20 1HZ LYS 4 HZ1 LYS 4 -18.560 4.343 7.734 21 2HZ LYS 4 HZ3 LYS 4 -20.153 4.736 7.304 22 3HZ LYS 4 HZ2 LYS 4 -19.679 3.107 7.405 23 H GLU 5 HN GLU 5 -12.756 6.475 6.312 24 HA GLU 5 HA GLU 5 -12.231 8.144 3.885 25 1HB GLU 5 HB2 GLU 5 -12.004 10.089 5.554 26 2HB GLU 5 HB1 GLU 5 -13.643 9.547 5.191 27 1HG GLU 5 HG2 GLU 5 -13.816 8.352 7.239 28 2HG GLU 5 HG1 GLU 5 -12.078 8.441 7.527 29 H LEU 6 HN LEU 6 -10.643 6.025 4.598 30 HA LEU 6 HA LEU 6 -8.465 7.054 6.238 31 1HB LEU 6 HB2 LEU 6 -9.273 4.682 6.400 32 2HB LEU 6 HB1 LEU 6 -8.686 4.416 4.765 33 HG LEU 6 HG LEU 6 -6.395 4.796 5.452 34 1HD1 LEU 6 HD13 LEU 6 -7.696 5.749 7.995 35 2HD1 LEU 6 HD12 LEU 6 -6.075 5.059 8.055 36 3HD1 LEU 6 HD11 LEU 6 -6.384 6.490 7.074 37 1HD2 LEU 6 HD22 LEU 6 -7.980 2.994 7.288 38 2HD2 LEU 6 HD21 LEU 6 -7.078 2.552 5.838 39 3HD2 LEU 6 HD23 LEU 6 -6.220 3.045 7.297 40 H LYS 7 HN LYS 7 -6.880 8.262 5.314 41 HA LYS 7 HA LYS 7 -6.706 8.743 2.520 42 1HB LYS 7 HB2 LYS 7 -4.982 9.338 4.884 43 2HB LYS 7 HB1 LYS 7 -4.281 9.528 3.280 44 1HG LYS 7 HG2 LYS 7 -5.864 11.155 2.642 45 2HG LYS 7 HG1 LYS 7 -6.974 10.707 3.937 46 1HD LYS 7 HD2 LYS 7 -5.665 11.755 5.591 47 2HD LYS 7 HD1 LYS 7 -4.227 11.775 4.569 48 1HE LYS 7 HE2 LYS 7 -5.349 13.400 3.061 49 2HE LYS 7 HE1 LYS 7 -6.743 13.416 4.143 50 1HZ LYS 7 HZ3 LYS 7 -4.607 13.854 5.782 51 2HZ LYS 7 HZ2 LYS 7 -4.232 14.758 4.393 52 3HZ LYS 7 HZ1 LYS 7 -5.691 15.032 5.219 53 H PHE 8 HN PHE 8 -5.966 7.440 0.950 54 HA PHE 8 HA PHE 8 -3.937 5.359 1.630 55 1HB PHE 8 HB2 PHE 8 -6.015 5.534 -0.561 56 2HB PHE 8 HB1 PHE 8 -4.720 4.357 -0.575 57 HD1 PHE 8 HD1 PHE 8 -4.680 2.507 1.043 58 HD2 PHE 8 HD2 PHE 8 -7.829 5.413 1.014 59 HE1 PHE 8 HE1 PHE 8 -6.065 1.028 2.477 60 HE2 PHE 8 HE2 PHE 8 -9.192 3.942 2.452 61 HZ PHE 8 HZ PHE 8 -8.318 1.748 3.191 62 H LEU 9 HN LEU 9 -2.168 5.106 0.168 63 HA LEU 9 HA LEU 9 -1.796 7.354 -1.787 64 1HB LEU 9 HB2 LEU 9 -0.292 7.808 0.038 65 2HB LEU 9 HB1 LEU 9 0.224 6.123 0.113 66 HG LEU 9 HG LEU 9 1.331 6.286 -2.026 67 1HD1 LEU 9 HD12 LEU 9 -0.102 8.932 -2.179 68 2HD1 LEU 9 HD11 LEU 9 1.351 8.636 -3.134 69 3HD1 LEU 9 HD13 LEU 9 -0.076 7.624 -3.362 70 1HD2 LEU 9 HD23 LEU 9 1.888 8.539 -0.112 71 2HD2 LEU 9 HD22 LEU 9 2.815 7.065 -0.398 72 3HD2 LEU 9 HD21 LEU 9 2.831 8.364 -1.589 73 H VAL 10 HN VAL 10 -2.173 6.252 -3.727 74 HA VAL 10 HA VAL 10 -1.072 3.521 -4.003 75 HB VAL 10 HB VAL 10 -2.320 3.522 -6.151 76 1HG1 VAL 10 HG12 VAL 10 -3.665 4.171 -3.545 77 2HG1 VAL 10 HG11 VAL 10 -4.633 3.889 -4.993 78 3HG1 VAL 10 HG13 VAL 10 -3.568 2.623 -4.385 79 1HG2 VAL 10 HG22 VAL 10 -2.360 6.346 -5.633 80 2HG2 VAL 10 HG21 VAL 10 -2.880 5.493 -7.080 81 3HG2 VAL 10 HG23 VAL 10 -4.012 5.753 -5.753 82 H VAL 11 HN VAL 11 1.071 3.514 -4.526 83 HA VAL 11 HA VAL 11 2.126 5.613 -6.274 84 HB VAL 11 HB VAL 11 3.551 3.311 -4.919 85 1HG1 VAL 11 HG11 VAL 11 4.390 5.438 -6.793 86 2HG1 VAL 11 HG13 VAL 11 5.387 5.301 -5.346 87 3HG1 VAL 11 HG12 VAL 11 5.174 3.908 -6.406 88 1HG2 VAL 11 HG22 VAL 11 2.503 5.819 -3.954 89 2HG2 VAL 11 HG21 VAL 11 3.331 4.553 -3.048 90 3HG2 VAL 11 HG23 VAL 11 4.259 5.828 -3.838 91 H ASP 12 HN ASP 12 3.475 2.407 -6.478 92 HA ASP 12 HA ASP 12 3.763 1.017 -8.352 93 1HB ASP 12 HB2 ASP 12 1.189 0.926 -7.761 94 2HB ASP 12 HB1 ASP 12 1.019 1.805 -9.281 95 H ASP 13 HN ASP 13 2.713 1.249 -10.963 96 HA ASP 13 HA ASP 13 3.101 3.926 -12.011 97 1HB ASP 13 HB2 ASP 13 5.176 3.096 -13.383 98 2HB ASP 13 HB1 ASP 13 5.415 3.684 -11.736 99 H PHE 14 HN PHE 14 1.716 1.044 -12.150 100 HA PHE 14 HA PHE 14 1.900 0.078 -14.791 101 1HB PHE 14 HB2 PHE 14 0.271 -0.414 -12.564 102 2HB PHE 14 HB1 PHE 14 -0.849 0.063 -13.839 103 HD1 PHE 14 HD1 PHE 14 -0.045 -0.943 -16.273 104 HD2 PHE 14 HD2 PHE 14 0.657 -2.711 -12.420 105 HE1 PHE 14 HE1 PHE 14 0.202 -3.169 -17.338 106 HE2 PHE 14 HE2 PHE 14 0.904 -4.935 -13.487 107 HZ PHE 14 HZ PHE 14 0.677 -5.165 -15.945 108 H SER 15 HN SER 15 0.509 3.024 -13.616 109 HA SER 15 HA SER 15 -0.354 4.845 -14.838 110 1HB SER 15 HB2 SER 15 -0.290 3.398 -17.433 111 2HB SER 15 HB1 SER 15 0.233 5.035 -17.048 112 HG SER 15 HG SER 15 2.010 4.000 -15.900 113 H THR 16 HN THR 16 -1.598 1.718 -14.754 114 HA THR 16 HA THR 16 -4.313 2.743 -15.442 115 HB THR 16 HB THR 16 -3.108 1.223 -17.241 116 HG1 THR 16 HG1 THR 16 -5.704 0.533 -16.357 117 1HG2 THR 16 HG22 THR 16 -2.644 -0.489 -15.345 118 2HG2 THR 16 HG21 THR 16 -4.343 -0.926 -15.529 119 3HG2 THR 16 HG23 THR 16 -3.235 -1.100 -16.889 120 H MET 17 HN MET 17 -2.263 1.120 -13.289 121 HA MET 17 HA MET 17 -4.184 -0.662 -12.058 122 1HB MET 17 HB2 MET 17 -1.857 -1.064 -11.602 123 2HB MET 17 HB1 MET 17 -1.615 0.597 -11.057 124 1HG MET 17 HG2 MET 17 -3.678 -1.055 -9.659 125 2HG MET 17 HG1 MET 17 -1.981 -1.378 -9.309 126 1HE MET 17 HE2 MET 17 -2.579 -0.921 -6.924 127 2HE MET 17 HE1 MET 17 -0.964 -0.299 -7.259 128 3HE MET 17 HE3 MET 17 -2.086 0.631 -6.251 129 NH1 ARG 18 NH2 ARG 18 -3.135 8.431 -12.541 130 NH2 ARG 18 NH1 ARG 18 -1.316 8.153 -13.854 131 H ARG 18 HN ARG 18 -2.968 2.574 -11.203 132 HA ARG 18 HA ARG 18 -4.380 3.183 -8.924 133 1HB ARG 18 HB2 ARG 18 -4.668 5.316 -10.911 134 2HB ARG 18 HB1 ARG 18 -3.794 5.315 -9.381 135 1HG ARG 18 HG2 ARG 18 -1.963 4.007 -10.483 136 2HG ARG 18 HG1 ARG 18 -2.824 4.161 -12.015 137 1HD ARG 18 HD2 ARG 18 -2.484 6.734 -10.652 138 2HD ARG 18 HD1 ARG 18 -0.952 5.953 -11.042 139 HE ARG 18 HE ARG 18 -2.242 5.709 -13.404 140 1HH1 ARG 18 HH21 ARG 18 -3.816 8.055 -11.913 141 2HH1 ARG 18 HH22 ARG 18 -3.166 9.399 -12.790 142 1HH2 ARG 18 HH11 ARG 18 -0.603 7.563 -14.233 143 2HH2 ARG 18 HH12 ARG 18 -1.347 9.121 -14.103 144 NH1 ARG 19 NH2 ARG 19 -7.089 4.377 -18.314 145 NH2 ARG 19 NH1 ARG 19 -6.588 6.575 -18.140 146 H ARG 19 HN ARG 19 -5.678 3.198 -12.235 147 HA ARG 19 HA ARG 19 -8.256 4.200 -11.552 148 1HB ARG 19 HB2 ARG 19 -7.322 2.438 -13.828 149 2HB ARG 19 HB1 ARG 19 -8.966 3.065 -13.710 150 1HG ARG 19 HG2 ARG 19 -7.975 5.386 -13.547 151 2HG ARG 19 HG1 ARG 19 -6.406 4.670 -13.922 152 1HD ARG 19 HD2 ARG 19 -7.907 3.584 -15.904 153 2HD ARG 19 HD1 ARG 19 -8.749 5.118 -15.683 154 HE ARG 19 HE ARG 19 -5.966 5.670 -15.797 155 1HH1 ARG 19 HH21 ARG 19 -7.253 3.490 -17.883 156 2HH1 ARG 19 HH22 ARG 19 -7.143 4.467 -19.309 157 1HH2 ARG 19 HH11 ARG 19 -6.369 7.371 -17.576 158 2HH2 ARG 19 HH12 ARG 19 -6.642 6.666 -19.134 159 H ILE 20 HN ILE 20 -7.055 0.855 -11.849 160 HA ILE 20 HA ILE 20 -9.497 -0.483 -11.366 161 HB ILE 20 HB ILE 20 -6.610 -1.162 -10.948 162 1HG1 ILE 20 HG12 ILE 20 -8.812 -2.627 -12.421 163 2HG1 ILE 20 HG11 ILE 20 -7.881 -1.320 -13.154 164 1HG2 ILE 20 HG22 ILE 20 -8.976 -2.656 -9.813 165 2HG2 ILE 20 HG21 ILE 20 -7.498 -3.499 -10.271 166 3HG2 ILE 20 HG23 ILE 20 -7.450 -2.254 -9.025 167 1HD1 ILE 20 HD13 ILE 20 -6.702 -3.856 -11.979 168 2HD1 ILE 20 HD12 ILE 20 -6.919 -3.538 -13.700 169 3HD1 ILE 20 HD11 ILE 20 -5.796 -2.558 -12.757 170 H VAL 21 HN VAL 21 -7.005 0.458 -8.967 171 HA VAL 21 HA VAL 21 -8.577 -0.417 -6.729 172 HB VAL 21 HB VAL 21 -6.863 1.565 -5.768 173 1HG1 VAL 21 HG11 VAL 21 -6.521 -1.413 -6.199 174 2HG1 VAL 21 HG13 VAL 21 -5.430 -0.445 -5.210 175 3HG1 VAL 21 HG12 VAL 21 -7.125 -0.609 -4.751 176 1HG2 VAL 21 HG22 VAL 21 -6.003 1.713 -8.135 177 2HG2 VAL 21 HG21 VAL 21 -4.780 1.239 -6.958 178 3HG2 VAL 21 HG23 VAL 21 -5.516 0.024 -8.004 179 NH1 ARG 22 NH2 ARG 22 -10.291 8.325 -5.419 180 NH2 ARG 22 NH1 ARG 22 -10.924 6.307 -4.622 181 H ARG 22 HN ARG 22 -8.281 2.696 -8.382 182 HA ARG 22 HA ARG 22 -9.471 4.451 -6.591 183 1HB ARG 22 HB2 ARG 22 -9.401 4.186 -9.530 184 2HB ARG 22 HB1 ARG 22 -10.745 5.142 -8.920 185 1HG ARG 22 HG2 ARG 22 -7.981 5.660 -7.851 186 2HG ARG 22 HG1 ARG 22 -8.423 6.290 -9.435 187 1HD ARG 22 HD2 ARG 22 -8.862 7.763 -7.313 188 2HD ARG 22 HD1 ARG 22 -10.089 7.681 -8.575 189 HE ARG 22 HE ARG 22 -11.149 5.855 -7.090 190 1HH1 ARG 22 HH21 ARG 22 -10.030 8.909 -6.187 191 2HH1 ARG 22 HH22 ARG 22 -10.324 8.701 -4.493 192 1HH2 ARG 22 HH11 ARG 22 -11.150 5.346 -4.778 193 2HH2 ARG 22 HH12 ARG 22 -10.958 6.683 -3.696 194 H ASN 23 HN ASN 23 -11.269 2.419 -8.922 195 HA ASN 23 HA ASN 23 -13.859 3.026 -7.872 196 1HB ASN 23 HB2 ASN 23 -12.754 1.681 -10.027 197 2HB ASN 23 HB1 ASN 23 -13.510 0.412 -9.101 198 1HD2 ASN 23 HD22 ASN 23 -15.991 2.170 -11.437 199 2HD2 ASN 23 HD21 ASN 23 -14.412 1.617 -11.719 200 H LEU 24 HN LEU 24 -11.917 0.070 -7.705 201 HA LEU 24 HA LEU 24 -13.362 -1.515 -5.998 202 1HB LEU 24 HB2 LEU 24 -10.993 -1.793 -7.035 203 2HB LEU 24 HB1 LEU 24 -10.433 -1.066 -5.543 204 HG LEU 24 HG LEU 24 -12.270 -3.109 -4.790 205 1HD1 LEU 24 HD12 LEU 24 -10.304 -3.993 -6.926 206 2HD1 LEU 24 HD11 LEU 24 -11.103 -5.102 -5.816 207 3HD1 LEU 24 HD13 LEU 24 -12.057 -4.161 -6.961 208 1HD2 LEU 24 HD21 LEU 24 -9.329 -2.638 -4.568 209 2HD2 LEU 24 HD23 LEU 24 -10.531 -2.845 -3.298 210 3HD2 LEU 24 HD22 LEU 24 -9.936 -4.245 -4.188 211 H LEU 25 HN LEU 25 -10.851 0.733 -4.747 212 HA LEU 25 HA LEU 25 -11.542 0.566 -2.010 213 1HB LEU 25 HB2 LEU 25 -10.223 2.645 -3.718 214 2HB LEU 25 HB1 LEU 25 -10.653 3.068 -2.070 215 HG LEU 25 HG LEU 25 -9.030 0.617 -2.811 216 1HD1 LEU 25 HD13 LEU 25 -7.825 2.681 -3.411 217 2HD1 LEU 25 HD12 LEU 25 -8.100 3.316 -1.789 218 3HD1 LEU 25 HD11 LEU 25 -7.077 1.899 -2.019 219 1HD2 LEU 25 HD21 LEU 25 -10.063 1.784 -0.275 220 2HD2 LEU 25 HD23 LEU 25 -9.684 0.109 -0.672 221 3HD2 LEU 25 HD22 LEU 25 -8.394 1.229 -0.242 222 H LYS 26 HN LYS 26 -12.847 2.736 -4.525 223 HA LYS 26 HA LYS 26 -14.508 4.250 -2.803 224 1HB LYS 26 HB2 LYS 26 -14.024 4.931 -5.121 225 2HB LYS 26 HB1 LYS 26 -14.945 3.551 -5.718 226 1HG LYS 26 HG2 LYS 26 -16.940 4.558 -5.329 227 2HG LYS 26 HG1 LYS 26 -16.410 5.212 -3.779 228 1HD LYS 26 HD2 LYS 26 -15.247 7.031 -4.867 229 2HD LYS 26 HD1 LYS 26 -15.540 6.327 -6.459 230 1HE LYS 26 HE2 LYS 26 -17.134 8.154 -5.996 231 2HE LYS 26 HE1 LYS 26 -17.970 6.608 -6.140 232 1HZ LYS 26 HZ1 LYS 26 -17.145 7.012 -3.471 233 2HZ LYS 26 HZ3 LYS 26 -18.023 8.365 -3.996 234 3HZ LYS 26 HZ2 LYS 26 -18.718 6.817 -4.082 235 H GLU 27 HN GLU 27 -15.072 1.187 -4.487 236 HA GLU 27 HA GLU 27 -17.837 0.953 -3.960 237 1HB GLU 27 HB2 GLU 27 -16.644 -0.548 -5.504 238 2HB GLU 27 HB1 GLU 27 -15.763 -1.247 -4.145 239 1HG GLU 27 HG2 GLU 27 -17.665 -2.302 -3.281 240 2HG GLU 27 HG1 GLU 27 -18.769 -1.206 -4.114 241 H LEU 28 HN LEU 28 -15.026 0.269 -1.957 242 HA LEU 28 HA LEU 28 -16.553 -1.066 0.126 243 1HB LEU 28 HB2 LEU 28 -13.753 0.029 -0.074 244 2HB LEU 28 HB1 LEU 28 -14.390 -0.555 1.464 245 HG LEU 28 HG LEU 28 -14.731 -2.297 -0.940 246 1HD1 LEU 28 HD12 LEU 28 -12.129 -1.658 0.425 247 2HD1 LEU 28 HD11 LEU 28 -12.419 -3.283 -0.194 248 3HD1 LEU 28 HD13 LEU 28 -12.451 -1.904 -1.292 249 1HD2 LEU 28 HD23 LEU 28 -15.482 -2.625 1.585 250 2HD2 LEU 28 HD22 LEU 28 -14.875 -3.988 0.647 251 3HD2 LEU 28 HD21 LEU 28 -13.812 -3.157 1.781 252 H GLY 29 HN GLY 29 -15.061 2.157 -0.151 253 1HA GLY 29 HA2 GLY 29 -16.939 3.843 0.757 254 2HA GLY 29 HA1 GLY 29 -16.487 3.023 2.243 255 H PHE 30 HN PHE 30 -14.587 4.265 -0.534 256 HA PHE 30 HA PHE 30 -13.156 6.054 1.353 257 1HB PHE 30 HB2 PHE 30 -11.833 3.894 -0.303 258 2HB PHE 30 HB1 PHE 30 -10.956 5.261 0.365 259 HD1 PHE 30 HD2 PHE 30 -11.389 5.722 2.909 260 HD2 PHE 30 HD1 PHE 30 -12.037 1.948 0.966 261 HE1 PHE 30 HE2 PHE 30 -11.198 4.566 5.084 262 HE2 PHE 30 HE1 PHE 30 -11.864 0.791 3.155 263 HZ PHE 30 HZ PHE 30 -11.448 2.102 5.218 264 H ASN 31 HN ASN 31 -12.657 7.978 0.425 265 HA ASN 31 HA ASN 31 -12.449 8.168 -2.526 266 1HB ASN 31 HB2 ASN 31 -14.869 8.617 -1.604 267 2HB ASN 31 HB1 ASN 31 -14.182 10.157 -1.087 268 1HD2 ASN 31 HD22 ASN 31 -14.072 9.417 -5.138 269 2HD2 ASN 31 HD21 ASN 31 -13.749 8.146 -4.060 270 H ASN 32 HN ASN 32 -10.265 8.358 -1.023 271 HA ASN 32 HA ASN 32 -9.445 11.139 -1.344 272 1HB ASN 32 HB2 ASN 32 -10.489 11.276 0.881 273 2HB ASN 32 HB1 ASN 32 -9.516 9.914 1.434 274 1HD2 ASN 32 HD22 ASN 32 -7.573 12.789 2.577 275 2HD2 ASN 32 HD21 ASN 32 -8.954 11.907 3.022 276 H VAL 33 HN VAL 33 -7.779 10.369 -2.658 277 HA VAL 33 HA VAL 33 -5.595 8.955 -1.244 278 HB VAL 33 HB VAL 33 -6.664 7.058 -2.137 279 1HG1 VAL 33 HG13 VAL 33 -7.368 8.925 -4.372 280 2HG1 VAL 33 HG12 VAL 33 -7.374 7.185 -4.661 281 3HG1 VAL 33 HG11 VAL 33 -8.421 7.877 -3.422 282 1HG2 VAL 33 HG23 VAL 33 -4.223 7.473 -2.947 283 2HG2 VAL 33 HG22 VAL 33 -5.161 6.225 -3.758 284 3HG2 VAL 33 HG21 VAL 33 -4.961 7.805 -4.512 285 H GLU 34 HN GLU 34 -3.549 9.214 -2.280 286 HA GLU 34 HA GLU 34 -3.506 11.270 -4.457 287 1HB GLU 34 HB2 GLU 34 -1.787 10.849 -2.044 288 2HB GLU 34 HB1 GLU 34 -1.034 11.487 -3.505 289 1HG GLU 34 HG2 GLU 34 -3.554 12.665 -2.306 290 2HG GLU 34 HG1 GLU 34 -1.942 13.253 -1.910 291 H GLU 35 HN GLU 35 -0.941 10.901 -5.383 292 HA GLU 35 HA GLU 35 -0.610 7.997 -5.835 293 1HB GLU 35 HB2 GLU 35 -2.282 8.943 -7.514 294 2HB GLU 35 HB1 GLU 35 -0.941 9.870 -8.182 295 1HG GLU 35 HG2 GLU 35 0.077 7.283 -7.961 296 2HG GLU 35 HG1 GLU 35 -1.580 7.045 -8.515 297 H ALA 36 HN ALA 36 1.418 7.424 -6.683 298 HA ALA 36 HA ALA 36 3.394 9.623 -7.089 299 1HB ALA 36 HB1 ALA 36 3.289 7.831 -4.832 300 2HB ALA 36 HB3 ALA 36 4.750 7.517 -5.768 301 3HB ALA 36 HB2 ALA 36 4.429 9.137 -5.147 302 H GLU 37 HN GLU 37 5.627 8.152 -7.634 303 HA GLU 37 HA GLU 37 4.830 6.012 -9.538 304 1HB GLU 37 HB2 GLU 37 6.643 8.266 -10.413 305 2HB GLU 37 HB1 GLU 37 5.895 7.021 -11.414 306 1HG GLU 37 HG2 GLU 37 3.646 7.961 -10.746 307 2HG GLU 37 HG1 GLU 37 4.504 9.303 -9.986 308 H ASP 38 HN ASP 38 6.631 6.699 -6.998 309 HA ASP 38 HA ASP 38 8.405 4.554 -7.166 310 1HB ASP 38 HB2 ASP 38 9.745 5.336 -8.893 311 2HB ASP 38 HB1 ASP 38 9.451 7.028 -8.493 312 H GLY 39 HN GLY 39 10.113 4.696 -5.411 313 1HA GLY 39 HA2 GLY 39 9.028 5.793 -3.060 314 2HA GLY 39 HA1 GLY 39 10.715 5.316 -3.214 315 H VAL 40 HN VAL 40 11.347 7.231 -5.326 316 HA VAL 40 HA VAL 40 12.067 9.483 -3.768 317 HB VAL 40 HB VAL 40 11.532 9.428 -6.758 318 1HG1 VAL 40 HG12 VAL 40 13.103 11.292 -4.962 319 2HG1 VAL 40 HG11 VAL 40 13.269 11.272 -6.718 320 3HG1 VAL 40 HG13 VAL 40 11.723 11.699 -5.982 321 1HG2 VAL 40 HG23 VAL 40 13.282 7.802 -5.496 322 2HG2 VAL 40 HG22 VAL 40 13.615 8.504 -7.079 323 3HG2 VAL 40 HG21 VAL 40 14.283 9.249 -5.626 324 H ASP 41 HN ASP 41 9.192 8.801 -5.694 325 HA ASP 41 HA ASP 41 8.017 11.436 -5.208 326 1HB ASP 41 HB2 ASP 41 7.605 9.876 -7.228 327 2HB ASP 41 HB1 ASP 41 6.535 8.984 -6.151 328 H ALA 42 HN ALA 42 7.149 8.089 -4.205 329 HA ALA 42 HA ALA 42 5.102 8.761 -2.409 330 1HB ALA 42 HB2 ALA 42 6.386 6.449 -3.115 331 2HB ALA 42 HB1 ALA 42 6.923 6.651 -1.449 332 3HB ALA 42 HB3 ALA 42 5.199 6.568 -1.816 333 H LEU 43 HN LEU 43 8.569 8.332 -1.634 334 HA LEU 43 HA LEU 43 8.473 9.082 1.071 335 1HB LEU 43 HB2 LEU 43 10.471 8.248 -0.335 336 2HB LEU 43 HB1 LEU 43 10.712 9.936 -0.772 337 HG LEU 43 HG LEU 43 10.573 8.921 2.085 338 1HD1 LEU 43 HD11 LEU 43 12.874 9.354 0.196 339 2HD1 LEU 43 HD13 LEU 43 13.098 9.553 1.933 340 3HD1 LEU 43 HD12 LEU 43 12.573 8.000 1.285 341 1HD2 LEU 43 HD21 LEU 43 11.007 11.600 0.797 342 2HD2 LEU 43 HD23 LEU 43 10.099 11.191 2.253 343 3HD2 LEU 43 HD22 LEU 43 11.860 11.234 2.293 344 H ASN 44 HN ASN 44 9.270 11.265 -1.670 345 HA ASN 44 HA ASN 44 9.274 13.656 -0.172 346 1HB ASN 44 HB2 ASN 44 8.886 12.971 -3.047 347 2HB ASN 44 HB1 ASN 44 8.457 14.603 -2.532 348 1HD2 ASN 44 HD22 ASN 44 12.349 13.601 -2.899 349 2HD2 ASN 44 HD21 ASN 44 11.099 12.551 -3.364 350 H LYS 45 HN LYS 45 6.529 11.920 -1.588 351 HA LYS 45 HA LYS 45 4.699 14.108 -0.827 352 1HB LYS 45 HB2 LYS 45 4.631 11.911 -2.683 353 2HB LYS 45 HB1 LYS 45 3.225 11.824 -1.622 354 1HG LYS 45 HG2 LYS 45 2.711 14.189 -2.113 355 2HG LYS 45 HG1 LYS 45 4.107 14.267 -3.188 356 1HD LYS 45 HD2 LYS 45 2.978 12.186 -4.336 357 2HD LYS 45 HD1 LYS 45 1.518 12.792 -3.554 358 1HE LYS 45 HE2 LYS 45 3.227 14.123 -5.643 359 2HE LYS 45 HE1 LYS 45 1.480 13.893 -5.626 360 1HZ LYS 45 HZ1 LYS 45 2.520 15.435 -3.414 361 2HZ LYS 45 HZ3 LYS 45 2.719 16.168 -4.931 362 3HZ LYS 45 HZ2 LYS 45 1.167 15.722 -4.401 363 H LEU 46 HN LEU 46 5.882 11.183 0.569 364 HA LEU 46 HA LEU 46 3.635 10.419 2.146 365 1HB LEU 46 HB2 LEU 46 6.390 9.697 1.959 366 2HB LEU 46 HB1 LEU 46 6.066 10.067 3.649 367 HG LEU 46 HG LEU 46 5.670 7.677 3.150 368 1HD1 LEU 46 HD13 LEU 46 3.739 9.501 4.301 369 2HD1 LEU 46 HD12 LEU 46 2.927 8.107 3.592 370 3HD1 LEU 46 HD11 LEU 46 4.175 7.873 4.813 371 1HD2 LEU 46 HD23 LEU 46 4.467 8.714 0.795 372 2HD2 LEU 46 HD22 LEU 46 4.635 7.023 1.263 373 3HD2 LEU 46 HD21 LEU 46 3.190 7.924 1.719 374 H GLN 47 HN GLN 47 5.942 13.029 2.480 375 HA GLN 47 HA GLN 47 5.299 13.628 5.245 376 1HB GLN 47 HB2 GLN 47 7.401 14.415 4.278 377 2HB GLN 47 HB1 GLN 47 6.521 15.345 3.063 378 1HG GLN 47 HG2 GLN 47 5.853 16.959 4.577 379 2HG GLN 47 HG1 GLN 47 5.875 15.839 5.939 380 1HE2 GLN 47 HE21 GLN 47 8.364 16.897 3.535 381 2HE2 GLN 47 HE22 GLN 47 9.539 17.264 4.703 382 H ALA 48 HN ALA 48 3.377 13.688 2.603 383 HA ALA 48 HA ALA 48 2.116 16.137 2.395 384 1HB ALA 48 HB1 ALA 48 0.920 13.363 2.454 385 2HB ALA 48 HB3 ALA 48 -0.030 14.797 2.068 386 3HB ALA 48 HB2 ALA 48 1.325 14.334 1.038 387 H GLY 49 HN GLY 49 0.612 13.642 4.458 388 1HA GLY 49 HA2 GLY 49 0.419 15.613 6.668 389 2HA GLY 49 HA1 GLY 49 -1.094 14.999 6.000 390 H GLY 50 HN GLY 50 -0.095 12.328 5.469 391 1HA GLY 50 HA2 GLY 50 1.140 10.759 7.217 392 2HA GLY 50 HA1 GLY 50 -0.184 11.297 8.250 393 OH TYR 51 OH TYR 51 -0.593 12.057 -0.447 394 H TYR 51 HN TYR 51 0.325 9.934 4.995 395 HA TYR 51 HA TYR 51 -2.254 9.023 4.477 396 1HB TYR 51 HB2 TYR 51 0.433 7.805 3.824 397 2HB TYR 51 HB1 TYR 51 -1.078 7.156 3.200 398 HD1 TYR 51 HD2 TYR 51 -2.619 8.677 1.855 399 HD2 TYR 51 HD1 TYR 51 1.406 9.730 2.903 400 HE1 TYR 51 HE2 TYR 51 -2.618 10.439 0.104 401 HE2 TYR 51 HE1 TYR 51 1.410 11.482 1.158 402 HH TYR 51 HH TYR 51 0.297 12.413 -0.501 403 H GLY 52 HN GLY 52 -3.407 8.133 6.159 404 1HA GLY 52 HA2 GLY 52 -2.447 6.394 8.153 405 2HA GLY 52 HA1 GLY 52 -4.105 6.441 7.619 406 H PHE 53 HN PHE 53 -2.579 5.875 4.841 407 HA PHE 53 HA PHE 53 -1.976 3.016 5.174 408 1HB PHE 53 HB2 PHE 53 -4.559 3.560 5.080 409 2HB PHE 53 HB1 PHE 53 -4.258 3.662 3.356 410 HD1 PHE 53 HD1 PHE 53 -2.937 1.650 2.331 411 HD2 PHE 53 HD2 PHE 53 -5.008 1.494 6.069 412 HE1 PHE 53 HE1 PHE 53 -3.117 -0.784 2.125 413 HE2 PHE 53 HE2 PHE 53 -5.197 -0.947 5.861 414 HZ PHE 53 HZ PHE 53 -4.239 -2.112 3.894 415 H VAL 54 HN VAL 54 -0.831 2.219 3.350 416 HA VAL 54 HA VAL 54 -0.621 4.034 0.982 417 HB VAL 54 HB VAL 54 1.719 2.796 2.456 418 1HG1 VAL 54 HG13 VAL 54 1.375 3.807 -0.252 419 2HG1 VAL 54 HG12 VAL 54 2.611 4.709 0.626 420 3HG1 VAL 54 HG11 VAL 54 2.750 2.958 0.455 421 1HG2 VAL 54 HG23 VAL 54 0.506 5.535 2.382 422 2HG2 VAL 54 HG22 VAL 54 1.214 4.663 3.741 423 3HG2 VAL 54 HG21 VAL 54 2.259 5.390 2.522 424 H ILE 55 HN ILE 55 -1.072 2.888 -0.797 425 HA ILE 55 HA ILE 55 -0.645 -0.074 -0.773 426 HB ILE 55 HB ILE 55 -2.342 1.685 -2.579 427 1HG1 ILE 55 HG12 ILE 55 -3.240 -0.407 -0.584 428 2HG1 ILE 55 HG11 ILE 55 -3.065 1.294 -0.148 429 1HG2 ILE 55 HG23 ILE 55 -1.875 -1.307 -2.484 430 2HG2 ILE 55 HG22 ILE 55 -3.244 -0.571 -3.317 431 3HG2 ILE 55 HG21 ILE 55 -1.598 -0.220 -3.844 432 1HD1 ILE 55 HD11 ILE 55 -4.791 0.257 -2.416 433 2HD1 ILE 55 HD13 ILE 55 -5.392 0.741 -0.831 434 3HD1 ILE 55 HD12 ILE 55 -4.655 1.936 -1.896 435 H SER 56 HN SER 56 1.533 -0.227 -1.412 436 HA SER 56 HA SER 56 2.363 1.228 -3.876 437 1HB SER 56 HB2 SER 56 4.649 0.417 -3.261 438 2HB SER 56 HB1 SER 56 3.910 1.415 -2.013 439 HG SER 56 HG SER 56 3.110 -0.833 -1.298 440 H ASP 57 HN ASP 57 4.082 -0.355 -5.121 441 HA ASP 57 HA ASP 57 2.834 -3.044 -5.422 442 1HB ASP 57 HB2 ASP 57 1.853 -1.392 -7.083 443 2HB ASP 57 HB1 ASP 57 3.468 -1.257 -7.782 444 CH2 TRP 58 CH2 TRP 58 10.495 -5.998 -1.476 445 H TRP 58 HN TRP 58 5.225 -2.704 -4.137 446 HA TRP 58 HA TRP 58 7.526 -3.190 -4.227 447 1HB TRP 58 HB2 TRP 58 6.232 -5.337 -5.014 448 2HB TRP 58 HB1 TRP 58 6.909 -4.946 -6.593 449 HD1 TRP 58 HD1 TRP 58 9.128 -6.092 -7.017 450 HE1 TRP 58 HE1 TRP 58 11.113 -6.887 -5.577 451 HE3 TRP 58 HE3 TRP 58 7.512 -4.629 -2.397 452 HZ2 TRP 58 HZ2 TRP 58 11.911 -6.899 -2.825 453 HZ3 TRP 58 HZ3 TRP 58 8.901 -5.043 -0.391 454 HH2 TRP 58 HH2 TRP 58 11.094 -6.178 -0.595 455 H ASN 59 HN ASN 59 7.907 -0.967 -5.038 456 HA ASN 59 HA ASN 59 8.024 -0.134 -7.692 457 1HB ASN 59 HB2 ASN 59 9.762 0.497 -5.313 458 2HB ASN 59 HB1 ASN 59 10.080 1.232 -6.885 459 1HD2 ASN 59 HD22 ASN 59 7.156 2.754 -4.620 460 2HD2 ASN 59 HD21 ASN 59 8.329 1.677 -4.034 461 H MET 60 HN MET 60 9.445 -0.410 -9.393 462 HA MET 60 HA MET 60 11.409 -2.615 -9.095 463 1HB MET 60 HB2 MET 60 9.496 -2.398 -10.934 464 2HB MET 60 HB1 MET 60 10.741 -1.465 -11.764 465 1HG MET 60 HG2 MET 60 12.275 -3.514 -11.062 466 2HG MET 60 HG1 MET 60 10.728 -4.363 -11.021 467 1HE MET 60 HE1 MET 60 9.525 -5.230 -12.887 468 2HE MET 60 HE3 MET 60 10.370 -5.518 -14.413 469 3HE MET 60 HE2 MET 60 11.107 -6.003 -12.888 470 HA PRO 61 HA PRO 61 13.872 0.960 -11.255 471 1HB PRO 61 HB2 PRO 61 12.979 3.438 -10.088 472 2HB PRO 61 HB1 PRO 61 12.958 2.963 -11.792 473 1HG PRO 61 HG2 PRO 61 10.702 3.257 -10.074 474 2HG PRO 61 HG1 PRO 61 10.708 2.618 -11.724 475 1HD PRO 61 HD2 PRO 61 10.413 1.188 -9.206 476 2HD PRO 61 HD1 PRO 61 10.159 0.581 -10.855 477 H ASN 62 HN ASN 62 15.776 0.823 -10.174 478 HA ASN 62 HA ASN 62 17.292 0.742 -8.378 479 1HB ASN 62 HB2 ASN 62 15.858 3.116 -7.225 480 2HB ASN 62 HB1 ASN 62 17.591 2.812 -7.342 481 1HD2 ASN 62 HD22 ASN 62 15.689 4.725 -10.363 482 2HD2 ASN 62 HD21 ASN 62 14.870 4.255 -8.952 483 H MET 63 HN MET 63 15.420 -1.113 -7.896 484 HA MET 63 HA MET 63 14.298 -2.300 -6.212 485 1HB MET 63 HB2 MET 63 16.093 -0.600 -4.450 486 2HB MET 63 HB1 MET 63 15.251 -2.066 -3.948 487 1HG MET 63 HG2 MET 63 16.584 -2.836 -6.267 488 2HG MET 63 HG1 MET 63 17.741 -1.785 -5.448 489 1HE MET 63 HE1 MET 63 15.043 -4.167 -5.001 490 2HE MET 63 HE3 MET 63 16.084 -5.592 -5.118 491 3HE MET 63 HE2 MET 63 15.381 -5.135 -3.569 492 H ASP 64 HN ASP 64 14.735 0.583 -4.207 493 HA ASP 64 HA ASP 64 13.135 1.941 -3.168 494 1HB ASP 64 HB2 ASP 64 12.201 1.645 -5.992 495 2HB ASP 64 HB1 ASP 64 11.089 2.370 -4.830 496 H GLY 65 HN GLY 65 10.581 2.001 -2.758 497 1HA GLY 65 HA2 GLY 65 8.667 0.861 -1.991 498 2HA GLY 65 HA1 GLY 65 9.256 -0.589 -2.774 499 H LEU 66 HN LEU 66 11.738 -0.921 -1.551 500 HA LEU 66 HA LEU 66 10.947 -1.929 1.062 501 1HB LEU 66 HB2 LEU 66 13.232 -2.182 -0.724 502 2HB LEU 66 HB1 LEU 66 13.754 -1.921 0.940 503 HG LEU 66 HG LEU 66 11.684 -3.982 0.134 504 1HD1 LEU 66 HD13 LEU 66 13.920 -4.481 -0.838 505 2HD1 LEU 66 HD12 LEU 66 14.623 -4.375 0.777 506 3HD1 LEU 66 HD11 LEU 66 13.458 -5.647 0.403 507 1HD2 LEU 66 HD23 LEU 66 12.425 -2.861 2.625 508 2HD2 LEU 66 HD22 LEU 66 11.408 -4.275 2.353 509 3HD2 LEU 66 HD21 LEU 66 13.145 -4.469 2.580 510 H GLU 67 HN GLU 67 13.645 0.283 0.222 511 HA GLU 67 HA GLU 67 13.865 1.455 2.795 512 1HB GLU 67 HB2 GLU 67 15.481 1.760 0.860 513 2HB GLU 67 HB1 GLU 67 14.320 2.885 0.154 514 1HG GLU 67 HG2 GLU 67 15.272 4.505 1.400 515 2HG GLU 67 HG1 GLU 67 14.581 3.715 2.818 516 H LEU 68 HN LEU 68 11.553 1.789 0.289 517 HA LEU 68 HA LEU 68 10.413 4.340 0.903 518 1HB LEU 68 HB2 LEU 68 10.027 2.505 -1.020 519 2HB LEU 68 HB1 LEU 68 8.679 2.068 0.017 520 HG LEU 68 HG LEU 68 9.214 4.870 -1.002 521 1HD1 LEU 68 HD11 LEU 68 7.326 2.719 -2.009 522 2HD1 LEU 68 HD13 LEU 68 7.285 4.395 -2.535 523 3HD1 LEU 68 HD12 LEU 68 8.696 3.399 -2.886 524 1HD2 LEU 68 HD22 LEU 68 7.298 3.685 0.874 525 2HD2 LEU 68 HD21 LEU 68 7.715 5.376 0.610 526 3HD2 LEU 68 HD23 LEU 68 6.525 4.588 -0.423 527 H LEU 69 HN LEU 69 9.467 1.046 1.867 528 HA LEU 69 HA LEU 69 7.415 1.729 3.694 529 1HB LEU 69 HB2 LEU 69 9.358 -0.565 3.507 530 2HB LEU 69 HB1 LEU 69 8.147 -0.497 4.780 531 HG LEU 69 HG LEU 69 7.467 -0.245 1.844 532 1HD1 LEU 69 HD11 LEU 69 7.817 -2.660 3.590 533 2HD1 LEU 69 HD13 LEU 69 6.581 -2.667 2.334 534 3HD1 LEU 69 HD12 LEU 69 8.275 -2.434 1.904 535 1HD2 LEU 69 HD21 LEU 69 6.010 0.000 4.320 536 2HD2 LEU 69 HD23 LEU 69 5.442 0.227 2.669 537 3HD2 LEU 69 HD22 LEU 69 5.403 -1.375 3.404 538 H LYS 70 HN LYS 70 10.661 0.646 4.521 539 HA LYS 70 HA LYS 70 10.801 1.262 7.198 540 1HB LYS 70 HB2 LYS 70 12.705 0.893 5.081 541 2HB LYS 70 HB1 LYS 70 13.249 2.217 6.112 542 1HG LYS 70 HG2 LYS 70 12.954 0.782 8.105 543 2HG LYS 70 HG1 LYS 70 12.438 -0.546 7.065 544 1HD LYS 70 HD2 LYS 70 14.719 -0.067 5.828 545 2HD LYS 70 HD1 LYS 70 15.163 0.670 7.368 546 1HE LYS 70 HE2 LYS 70 14.191 -1.565 8.377 547 2HE LYS 70 HE1 LYS 70 14.510 -2.193 6.759 548 1HZ LYS 70 HZ2 LYS 70 16.734 -0.711 7.506 549 2HZ LYS 70 HZ1 LYS 70 16.336 -1.680 8.844 550 3HZ LYS 70 HZ3 LYS 70 16.623 -2.399 7.334 551 H THR 71 HN THR 71 11.032 3.588 4.519 552 HA THR 71 HA THR 71 11.858 5.856 5.965 553 HB THR 71 HB THR 71 10.821 5.347 3.389 554 HG1 THR 71 HG1 THR 71 12.122 7.335 4.777 555 1HG2 THR 71 HG21 THR 71 8.589 6.100 4.186 556 2HG2 THR 71 HG23 THR 71 9.309 7.622 4.720 557 3HG2 THR 71 HG22 THR 71 9.279 7.208 3.010 558 H ILE 72 HN ILE 72 8.598 4.452 5.656 559 HA ILE 72 HA ILE 72 7.305 6.484 7.252 560 HB ILE 72 HB ILE 72 6.556 3.595 6.686 561 1HG1 ILE 72 HG12 ILE 72 4.743 5.387 5.499 562 2HG1 ILE 72 HG11 ILE 72 6.334 6.079 5.186 563 1HG2 ILE 72 HG23 ILE 72 5.324 5.705 8.372 564 2HG2 ILE 72 HG22 ILE 72 4.225 4.802 7.327 565 3HG2 ILE 72 HG21 ILE 72 5.219 3.949 8.509 566 1HD1 ILE 72 HD11 ILE 72 5.536 3.209 4.612 567 2HD1 ILE 72 HD13 ILE 72 5.681 4.489 3.405 568 3HD1 ILE 72 HD12 ILE 72 7.106 3.936 4.281 569 NH1 ARG 73 NH1 ARG 73 11.406 1.619 14.786 570 NH2 ARG 73 NH2 ARG 73 11.471 -0.604 14.385 571 H ARG 73 HN ARG 73 8.816 3.356 7.948 572 HA ARG 73 HA ARG 73 8.127 3.269 10.733 573 1HB ARG 73 HB2 ARG 73 9.343 1.540 9.014 574 2HB ARG 73 HB1 ARG 73 10.737 2.116 9.927 575 1HG ARG 73 HG2 ARG 73 8.202 0.968 11.133 576 2HG ARG 73 HG1 ARG 73 9.739 0.119 10.988 577 1HD ARG 73 HD2 ARG 73 10.726 2.152 12.279 578 2HD ARG 73 HD1 ARG 73 9.053 2.477 12.733 579 HE ARG 73 HE ARG 73 9.082 0.045 13.613 580 1HH1 ARG 73 HH11 ARG 73 10.971 2.510 14.656 581 2HH1 ARG 73 HH12 ARG 73 12.227 1.541 15.351 582 1HH2 ARG 73 HH21 ARG 73 11.086 -1.417 13.949 583 2HH2 ARG 73 HH22 ARG 73 12.292 -0.682 14.952 584 H ALA 74 HN ALA 74 10.511 5.053 8.944 585 HA ALA 74 HA ALA 74 12.442 5.576 10.940 586 1HB ALA 74 HB1 ALA 74 12.190 6.360 8.396 587 2HB ALA 74 HB3 ALA 74 11.583 7.823 9.172 588 3HB ALA 74 HB2 ALA 74 13.207 7.241 9.537 589 H ASP 75 HN ASP 75 9.182 6.786 10.571 590 HA ASP 75 HA ASP 75 9.167 9.136 12.048 591 1HB ASP 75 HB2 ASP 75 7.203 7.652 11.053 592 2HB ASP 75 HB1 ASP 75 7.090 7.085 12.719 593 H GLY 76 HN GLY 76 9.469 5.831 13.282 594 1HA GLY 76 HA2 GLY 76 10.169 5.068 15.389 595 2HA GLY 76 HA1 GLY 76 10.825 6.683 15.658 596 H ALA 77 HN ALA 77 7.431 6.047 14.950 597 HA ALA 77 HA ALA 77 6.713 6.425 17.799 598 1HB ALA 77 HB1 ALA 77 6.855 8.712 16.808 599 2HB ALA 77 HB3 ALA 77 5.657 8.236 15.604 600 3HB ALA 77 HB2 ALA 77 5.216 8.297 17.311 601 H MET 78 HN MET 78 5.307 6.297 14.504 602 HA MET 78 HA MET 78 3.052 4.701 15.545 603 1HB MET 78 HB2 MET 78 3.569 6.350 13.192 604 2HB MET 78 HB1 MET 78 2.827 4.805 12.773 605 1HG MET 78 HG2 MET 78 1.145 6.590 13.267 606 2HG MET 78 HG1 MET 78 1.008 5.199 14.343 607 1HE MET 78 HE3 MET 78 2.459 8.512 13.626 608 2HE MET 78 HE2 MET 78 0.978 9.060 14.407 609 3HE MET 78 HE1 MET 78 2.537 9.398 15.155 610 H SER 79 HN SER 79 5.154 4.314 12.691 611 HA SER 79 HA SER 79 6.058 2.365 11.740 612 1HB SER 79 HB2 SER 79 5.954 1.130 14.486 613 2HB SER 79 HB1 SER 79 7.159 0.901 13.223 614 HG SER 79 HG SER 79 7.607 3.216 13.542 615 H ALA 80 HN ALA 80 3.032 2.578 12.896 616 HA ALA 80 HA ALA 80 2.336 -0.278 12.378 617 1HB ALA 80 HB3 ALA 80 1.573 1.317 14.455 618 2HB ALA 80 HB2 ALA 80 0.240 1.579 13.330 619 3HB ALA 80 HB1 ALA 80 0.629 -0.054 13.871 620 H LEU 81 HN LEU 81 2.296 2.820 10.952 621 HA LEU 81 HA LEU 81 -0.033 3.025 9.509 622 1HB LEU 81 HB2 LEU 81 2.812 3.647 8.892 623 2HB LEU 81 HB1 LEU 81 1.654 3.744 7.569 624 HG LEU 81 HG LEU 81 1.291 5.127 10.247 625 1HD1 LEU 81 HD13 LEU 81 2.340 6.162 7.601 626 2HD1 LEU 81 HD12 LEU 81 1.782 7.209 8.905 627 3HD1 LEU 81 HD11 LEU 81 3.173 6.157 9.155 628 1HD2 LEU 81 HD22 LEU 81 -0.418 4.704 7.926 629 2HD2 LEU 81 HD21 LEU 81 -0.818 5.402 9.496 630 3HD2 LEU 81 HD23 LEU 81 -0.146 6.421 8.223 631 HA PRO 82 HA PRO 82 0.198 -1.141 7.645 632 1HB PRO 82 HB2 PRO 82 -2.290 -0.684 6.301 633 2HB PRO 82 HB1 PRO 82 -1.979 -1.726 7.684 634 1HG PRO 82 HG2 PRO 82 -3.395 0.766 7.675 635 2HG PRO 82 HG1 PRO 82 -3.018 -0.251 9.072 636 1HD PRO 82 HD2 PRO 82 -1.839 2.282 8.334 637 2HD PRO 82 HD1 PRO 82 -1.521 1.297 9.778 638 H VAL 83 HN VAL 83 0.597 -1.924 5.606 639 HA VAL 83 HA VAL 83 0.381 -0.096 3.271 640 HB VAL 83 HB VAL 83 2.854 -1.499 4.276 641 1HG1 VAL 83 HG12 VAL 83 1.996 -1.123 1.402 642 2HG1 VAL 83 HG11 VAL 83 3.702 -1.082 1.829 643 3HG1 VAL 83 HG13 VAL 83 2.754 -2.530 2.156 644 1HG2 VAL 83 HG22 VAL 83 2.090 1.160 4.077 645 2HG2 VAL 83 HG21 VAL 83 3.744 0.583 4.240 646 3HG2 VAL 83 HG23 VAL 83 3.087 0.922 2.641 647 H LEU 84 HN LEU 84 -0.637 -1.199 1.666 648 HA LEU 84 HA LEU 84 -0.549 -4.143 1.882 649 1HB LEU 84 HB2 LEU 84 -2.803 -3.094 2.230 650 2HB LEU 84 HB1 LEU 84 -2.707 -2.464 0.595 651 HG LEU 84 HG LEU 84 -3.177 -4.482 -0.369 652 1HD1 LEU 84 HD13 LEU 84 -1.925 -5.915 1.998 653 2HD1 LEU 84 HD12 LEU 84 -2.653 -6.707 0.612 654 3HD1 LEU 84 HD11 LEU 84 -1.210 -5.729 0.393 655 1HD2 LEU 84 HD23 LEU 84 -4.244 -4.851 2.447 656 2HD2 LEU 84 HD22 LEU 84 -5.063 -4.054 1.104 657 3HD2 LEU 84 HD21 LEU 84 -4.766 -5.791 1.055 658 H MET 85 HN MET 85 1.504 -3.837 0.715 659 HA MET 85 HA MET 85 1.871 -2.719 -1.782 660 1HB MET 85 HB2 MET 85 3.050 -5.017 -0.334 661 2HB MET 85 HB1 MET 85 3.288 -5.032 -2.082 662 1HG MET 85 HG2 MET 85 4.347 -2.890 -2.051 663 2HG MET 85 HG1 MET 85 3.846 -2.593 -0.387 664 1HE MET 85 HE1 MET 85 6.737 -2.418 -1.818 665 2HE MET 85 HE3 MET 85 6.472 -1.876 -0.154 666 3HE MET 85 HE2 MET 85 7.797 -2.976 -0.527 667 H VAL 86 HN VAL 86 2.071 -4.011 -3.916 668 HA VAL 86 HA VAL 86 -0.078 -6.040 -4.228 669 HB VAL 86 HB VAL 86 0.104 -3.534 -5.926 670 1HG1 VAL 86 HG11 VAL 86 -1.828 -5.852 -5.778 671 2HG1 VAL 86 HG13 VAL 86 -2.203 -4.339 -6.605 672 3HG1 VAL 86 HG12 VAL 86 -0.860 -5.336 -7.161 673 1HG2 VAL 86 HG21 VAL 86 -1.695 -4.253 -3.596 674 2HG2 VAL 86 HG23 VAL 86 -0.638 -2.850 -3.744 675 3HG2 VAL 86 HG22 VAL 86 -2.081 -2.975 -4.749 676 H THR 87 HN THR 87 0.759 -7.691 -5.504 677 HA THR 87 HA THR 87 2.571 -6.938 -7.731 678 HB THR 87 HB THR 87 3.434 -8.290 -5.229 679 HG1 THR 87 HG1 THR 87 5.355 -7.320 -6.800 680 1HG2 THR 87 HG21 THR 87 4.272 -9.213 -7.985 681 2HG2 THR 87 HG23 THR 87 5.282 -9.438 -6.560 682 3HG2 THR 87 HG22 THR 87 3.695 -10.199 -6.637 683 H ALA 88 HN ALA 88 2.697 -8.549 -9.359 684 HA ALA 88 HA ALA 88 0.554 -10.600 -9.166 685 1HB ALA 88 HB3 ALA 88 1.936 -9.163 -11.377 686 2HB ALA 88 HB2 ALA 88 1.444 -10.825 -11.706 687 3HB ALA 88 HB1 ALA 88 0.242 -9.630 -11.224 688 H GLU 89 HN GLU 89 4.030 -10.298 -9.884 689 HA GLU 89 HA GLU 89 4.289 -13.257 -9.846 690 1HB GLU 89 HB2 GLU 89 6.510 -11.257 -10.289 691 2HB GLU 89 HB1 GLU 89 6.449 -12.946 -10.793 692 1HG GLU 89 HG2 GLU 89 4.725 -10.693 -11.862 693 2HG GLU 89 HG1 GLU 89 6.027 -11.512 -12.725 694 H ALA 90 HN ALA 90 3.574 -12.375 -7.367 695 HA ALA 90 HA ALA 90 5.692 -11.552 -5.645 696 1HB ALA 90 HB1 ALA 90 2.982 -12.264 -5.362 697 2HB ALA 90 HB3 ALA 90 3.876 -13.361 -4.310 698 3HB ALA 90 HB2 ALA 90 4.047 -11.616 -4.114 699 H LYS 91 HN LYS 91 7.612 -12.691 -5.823 700 HA LYS 91 HA LYS 91 7.757 -15.540 -6.172 701 1HB LYS 91 HB2 LYS 91 9.811 -13.561 -5.142 702 2HB LYS 91 HB1 LYS 91 10.155 -15.220 -5.618 703 1HG LYS 91 HG2 LYS 91 9.749 -14.805 -7.880 704 2HG LYS 91 HG1 LYS 91 8.748 -13.393 -7.539 705 1HD LYS 91 HD2 LYS 91 10.754 -12.164 -6.769 706 2HD LYS 91 HD1 LYS 91 11.751 -13.570 -7.147 707 1HE LYS 91 HE2 LYS 91 10.519 -13.306 -9.515 708 2HE LYS 91 HE1 LYS 91 10.438 -11.626 -8.986 709 1HZ LYS 91 HZ3 LYS 91 12.984 -12.485 -8.380 710 2HZ LYS 91 HZ2 LYS 91 12.669 -13.097 -9.934 711 3HZ LYS 91 HZ1 LYS 91 12.533 -11.431 -9.631 712 H LYS 92 HN LYS 92 9.815 -14.703 -3.632 713 HA LYS 92 HA LYS 92 8.002 -15.305 -1.429 714 1HB LYS 92 HB2 LYS 92 8.425 -17.557 -2.520 715 2HB LYS 92 HB1 LYS 92 10.123 -17.367 -2.084 716 1HG LYS 92 HG2 LYS 92 8.828 -16.773 0.283 717 2HG LYS 92 HG1 LYS 92 7.831 -18.063 -0.389 718 1HD LYS 92 HD2 LYS 92 10.836 -18.174 0.006 719 2HD LYS 92 HD1 LYS 92 9.635 -19.004 0.995 720 1HE LYS 92 HE2 LYS 92 8.967 -19.735 -1.609 721 2HE LYS 92 HE1 LYS 92 10.731 -19.761 -1.602 722 1HZ LYS 92 HZ1 LYS 92 10.107 -20.923 0.752 723 2HZ LYS 92 HZ3 LYS 92 8.863 -21.487 -0.252 724 3HZ LYS 92 HZ2 LYS 92 10.485 -21.761 -0.676 725 H GLU 93 HN GLU 93 11.452 -16.082 -1.931 726 HA GLU 93 HA GLU 93 12.430 -15.114 0.468 727 1HB GLU 93 HB2 GLU 93 13.726 -16.260 -1.412 728 2HB GLU 93 HB1 GLU 93 13.878 -14.664 -2.149 729 1HG GLU 93 HG2 GLU 93 15.715 -14.403 -0.858 730 2HG GLU 93 HG1 GLU 93 14.598 -14.215 0.494 731 H ASN 94 HN ASN 94 11.107 -13.279 -2.137 732 HA ASN 94 HA ASN 94 12.337 -10.758 -1.215 733 1HB ASN 94 HB2 ASN 94 11.038 -11.692 -3.632 734 2HB ASN 94 HB1 ASN 94 10.309 -10.185 -3.077 735 1HD2 ASN 94 HD22 ASN 94 14.380 -9.947 -3.577 736 2HD2 ASN 94 HD21 ASN 94 13.722 -11.241 -2.698 737 H ILE 95 HN ILE 95 9.190 -12.374 -1.217 738 HA ILE 95 HA ILE 95 7.675 -10.191 -0.158 739 HB ILE 95 HB ILE 95 7.288 -13.189 0.021 740 1HG1 ILE 95 HG12 ILE 95 5.784 -11.079 -1.557 741 2HG1 ILE 95 HG11 ILE 95 7.130 -12.006 -2.217 742 1HG2 ILE 95 HG21 ILE 95 5.592 -10.900 1.031 743 2HG2 ILE 95 HG23 ILE 95 4.885 -12.463 0.626 744 3HG2 ILE 95 HG22 ILE 95 6.098 -12.349 1.899 745 1HD1 ILE 95 HD11 ILE 95 5.262 -13.803 -0.958 746 2HD1 ILE 95 HD13 ILE 95 4.405 -12.772 -2.103 747 3HD1 ILE 95 HD12 ILE 95 5.771 -13.746 -2.645 748 H ILE 96 HN ILE 96 10.062 -12.198 1.264 749 HA ILE 96 HA ILE 96 9.089 -11.960 4.005 750 HB ILE 96 HB ILE 96 11.613 -12.960 2.713 751 1HG1 ILE 96 HG12 ILE 96 9.783 -14.249 4.753 752 2HG1 ILE 96 HG11 ILE 96 9.479 -14.336 3.017 753 1HG2 ILE 96 HG21 ILE 96 11.185 -12.180 5.591 754 2HG2 ILE 96 HG23 ILE 96 12.269 -13.508 5.177 755 3HG2 ILE 96 HG22 ILE 96 12.588 -11.886 4.564 756 1HD1 ILE 96 HD11 ILE 96 12.245 -14.998 3.755 757 2HD1 ILE 96 HD13 ILE 96 11.051 -16.106 4.431 758 3HD1 ILE 96 HD12 ILE 96 11.131 -15.853 2.688 759 H ALA 97 HN ALA 97 12.001 -10.659 2.393 760 HA ALA 97 HA ALA 97 12.804 -8.843 4.343 761 1HB ALA 97 HB2 ALA 97 13.768 -9.341 1.943 762 2HB ALA 97 HB1 ALA 97 12.784 -7.954 1.474 763 3HB ALA 97 HB3 ALA 97 14.052 -7.766 2.687 764 H ALA 98 HN ALA 98 10.233 -8.464 1.947 765 HA ALA 98 HA ALA 98 9.590 -5.753 2.373 766 1HB ALA 98 HB2 ALA 98 8.546 -7.671 0.812 767 2HB ALA 98 HB1 ALA 98 7.339 -7.692 2.097 768 3HB ALA 98 HB3 ALA 98 7.653 -6.203 1.207 769 H ALA 99 HN ALA 99 8.071 -8.579 3.987 770 HA ALA 99 HA ALA 99 6.553 -7.125 5.845 771 1HB ALA 99 HB3 ALA 99 6.746 -9.724 5.337 772 2HB ALA 99 HB2 ALA 99 7.841 -9.679 6.719 773 3HB ALA 99 HB1 ALA 99 6.168 -9.150 6.902 774 H GLN 100 HN GLN 100 9.958 -8.052 5.954 775 HA GLN 100 HA GLN 100 10.495 -7.458 8.673 776 1HB GLN 100 HB2 GLN 100 12.006 -8.312 6.583 777 2HB GLN 100 HB1 GLN 100 12.556 -6.641 6.702 778 1HG GLN 100 HG2 GLN 100 13.029 -6.966 9.105 779 2HG GLN 100 HG1 GLN 100 12.491 -8.642 8.981 780 1HE2 GLN 100 HE22 GLN 100 15.377 -9.067 6.500 781 2HE2 GLN 100 HE21 GLN 100 13.705 -8.943 6.239 782 H ALA 101 HN ALA 101 9.632 -5.371 6.087 783 HA ALA 101 HA ALA 101 10.634 -2.977 7.563 784 1HB ALA 101 HB2 ALA 101 9.724 -3.400 4.714 785 2HB ALA 101 HB1 ALA 101 9.983 -1.796 5.398 786 3HB ALA 101 HB3 ALA 101 11.326 -2.932 5.280 787 H GLY 102 HN GLY 102 8.091 -2.362 5.399 788 1HA GLY 102 HA2 GLY 102 6.117 -2.247 7.604 789 2HA GLY 102 HA1 GLY 102 6.278 -0.936 6.446 790 H ALA 103 HN ALA 103 6.894 -3.636 4.765 791 HA ALA 103 HA ALA 103 4.597 -3.617 3.132 792 1HB ALA 103 HB2 ALA 103 7.015 -4.835 3.011 793 2HB ALA 103 HB1 ALA 103 5.977 -6.212 3.378 794 3HB ALA 103 HB3 ALA 103 5.662 -5.226 1.951 795 H SER 104 HN SER 104 4.352 -4.242 6.226 796 HA SER 104 HA SER 104 3.387 -6.580 7.047 797 1HB SER 104 HB2 SER 104 2.431 -3.831 7.456 798 2HB SER 104 HB1 SER 104 1.206 -5.057 7.774 799 HG SER 104 HG SER 104 3.097 -4.344 9.378 800 H GLY 105 HN GLY 105 1.721 -4.732 4.514 801 1HA GLY 105 HA2 GLY 105 -0.217 -7.011 4.276 802 2HA GLY 105 HA1 GLY 105 -0.615 -5.352 3.852 803 OH TYR 106 OH TYR 106 1.847 -12.772 -3.282 804 H TYR 106 HN TYR 106 -0.266 -8.084 2.332 805 HA TYR 106 HA TYR 106 0.831 -6.808 -0.090 806 1HB TYR 106 HB2 TYR 106 2.865 -7.781 0.165 807 2HB TYR 106 HB1 TYR 106 2.283 -8.863 1.432 808 HD1 TYR 106 HD1 TYR 106 1.917 -8.324 -2.290 809 HD2 TYR 106 HD2 TYR 106 2.106 -11.144 0.952 810 HE1 TYR 106 HE1 TYR 106 1.821 -10.202 -3.904 811 HE2 TYR 106 HE2 TYR 106 2.012 -13.011 -0.665 812 HH TYR 106 HH TYR 106 1.596 -12.415 -4.138 813 H VAL 107 HN VAL 107 -0.780 -7.182 -1.504 814 HA VAL 107 HA VAL 107 -2.214 -9.807 -1.394 815 HB VAL 107 HB VAL 107 -3.640 -7.795 -1.166 816 1HG1 VAL 107 HG13 VAL 107 -2.006 -6.411 -2.615 817 2HG1 VAL 107 HG12 VAL 107 -2.847 -7.109 -3.998 818 3HG1 VAL 107 HG11 VAL 107 -3.729 -6.112 -2.840 819 1HG2 VAL 107 HG21 VAL 107 -4.467 -9.850 -2.325 820 2HG2 VAL 107 HG23 VAL 107 -5.235 -8.379 -2.920 821 3HG2 VAL 107 HG22 VAL 107 -3.960 -9.151 -3.861 822 H VAL 108 HN VAL 108 -2.198 -11.103 -3.229 823 HA VAL 108 HA VAL 108 -0.246 -10.324 -5.286 824 HB VAL 108 HB VAL 108 -0.208 -12.631 -4.393 825 1HG1 VAL 108 HG12 VAL 108 -2.920 -12.456 -4.352 826 2HG1 VAL 108 HG11 VAL 108 -2.685 -13.397 -5.824 827 3HG1 VAL 108 HG13 VAL 108 -2.043 -13.984 -4.290 828 1HG2 VAL 108 HG21 VAL 108 -0.169 -11.853 -7.091 829 2HG2 VAL 108 HG23 VAL 108 0.502 -13.338 -6.415 830 3HG2 VAL 108 HG22 VAL 108 -1.141 -13.325 -7.056 831 H LYS 109 HN LYS 109 -1.230 -8.827 -6.665 832 HA LYS 109 HA LYS 109 -3.981 -8.779 -7.387 833 1HB LYS 109 HB2 LYS 109 -3.104 -7.372 -9.348 834 2HB LYS 109 HB1 LYS 109 -2.671 -6.808 -7.738 835 1HG LYS 109 HG2 LYS 109 -0.460 -7.494 -7.945 836 2HG LYS 109 HG1 LYS 109 -0.842 -8.729 -9.137 837 1HD LYS 109 HD2 LYS 109 -1.044 -5.749 -9.674 838 2HD LYS 109 HD1 LYS 109 0.367 -6.720 -10.079 839 1HE LYS 109 HE2 LYS 109 -1.770 -8.164 -11.160 840 2HE LYS 109 HE1 LYS 109 -2.176 -6.481 -11.489 841 1HZ LYS 109 HZ3 LYS 109 0.550 -6.823 -11.981 842 2HZ LYS 109 HZ2 LYS 109 -0.271 -8.088 -12.764 843 3HZ LYS 109 HZ1 LYS 109 -0.680 -6.473 -13.096 844 HA PRO 110 HA PRO 110 -5.199 -8.160 -9.360 845 1HB PRO 110 HB2 PRO 110 -7.292 -9.820 -10.378 846 2HB PRO 110 HB1 PRO 110 -6.460 -8.503 -11.214 847 1HG PRO 110 HG2 PRO 110 -6.266 -11.278 -11.811 848 2HG PRO 110 HG1 PRO 110 -5.283 -9.976 -12.497 849 1HD PRO 110 HD2 PRO 110 -4.544 -11.976 -10.470 850 2HD PRO 110 HD1 PRO 110 -3.495 -10.913 -11.429 851 H PHE 111 HN PHE 111 -7.333 -8.018 -8.186 852 HA PHE 111 HA PHE 111 -8.005 -10.358 -6.501 853 1HB PHE 111 HB2 PHE 111 -8.132 -8.746 -4.491 854 2HB PHE 111 HB1 PHE 111 -6.539 -9.309 -4.968 855 HD1 PHE 111 HD1 PHE 111 -8.971 -6.484 -5.494 856 HD2 PHE 111 HD2 PHE 111 -4.871 -7.757 -5.479 857 HE1 PHE 111 HE1 PHE 111 -8.229 -4.163 -5.912 858 HE2 PHE 111 HE2 PHE 111 -4.137 -5.435 -5.883 859 HZ PHE 111 HZ PHE 111 -5.819 -3.634 -6.107 860 H THR 112 HN THR 112 -10.056 -10.134 -5.486 861 HA THR 112 HA THR 112 -11.884 -8.310 -6.951 862 HB THR 112 HB THR 112 -12.973 -10.155 -4.898 863 HG1 THR 112 HG1 THR 112 -11.135 -11.005 -6.627 864 1HG2 THR 112 HG22 THR 112 -14.302 -8.789 -6.549 865 2HG2 THR 112 HG21 THR 112 -13.635 -9.801 -7.830 866 3HG2 THR 112 HG23 THR 112 -14.657 -10.515 -6.583 867 H ALA 113 HN ALA 113 -13.117 -6.733 -5.753 868 HA ALA 113 HA ALA 113 -11.847 -5.457 -3.621 869 1HB ALA 113 HB2 ALA 113 -13.938 -4.719 -5.017 870 2HB ALA 113 HB1 ALA 113 -14.860 -5.511 -3.740 871 3HB ALA 113 HB3 ALA 113 -13.795 -4.161 -3.349 872 H ALA 114 HN ALA 114 -13.726 -8.360 -3.546 873 HA ALA 114 HA ALA 114 -14.127 -8.260 -0.646 874 1HB ALA 114 HB3 ALA 114 -14.411 -10.540 -2.634 875 2HB ALA 114 HB2 ALA 114 -14.877 -10.625 -0.935 876 3HB ALA 114 HB1 ALA 114 -15.721 -9.527 -2.026 877 H THR 115 HN THR 115 -11.854 -9.609 -2.955 878 HA THR 115 HA THR 115 -10.386 -11.155 -0.991 879 HB THR 115 HB THR 115 -9.754 -10.199 -3.775 880 HG1 THR 115 HG1 THR 115 -9.909 -12.429 -4.176 881 1HG2 THR 115 HG23 THR 115 -8.015 -11.648 -1.790 882 2HG2 THR 115 HG22 THR 115 -7.771 -11.824 -3.527 883 3HG2 THR 115 HG21 THR 115 -7.612 -10.240 -2.770 884 H LEU 116 HN LEU 116 -9.454 -8.104 -2.785 885 HA LEU 116 HA LEU 116 -7.275 -7.506 -1.128 886 1HB LEU 116 HB2 LEU 116 -8.737 -6.123 -3.106 887 2HB LEU 116 HB1 LEU 116 -8.827 -5.094 -1.684 888 HG LEU 116 HG LEU 116 -6.361 -6.004 -3.185 889 1HD1 LEU 116 HD13 LEU 116 -7.752 -3.811 -3.545 890 2HD1 LEU 116 HD12 LEU 116 -6.933 -3.268 -2.097 891 3HD1 LEU 116 HD11 LEU 116 -5.999 -3.724 -3.521 892 1HD2 LEU 116 HD23 LEU 116 -6.627 -5.371 -0.307 893 2HD2 LEU 116 HD22 LEU 116 -5.352 -6.241 -1.159 894 3HD2 LEU 116 HD21 LEU 116 -5.373 -4.482 -1.165 895 H GLU 117 HN GLU 117 -10.746 -6.925 -0.571 896 HA GLU 117 HA GLU 117 -10.448 -5.406 1.818 897 1HB GLU 117 HB2 GLU 117 -12.594 -5.417 0.757 898 2HB GLU 117 HB1 GLU 117 -12.675 -7.177 0.816 899 1HG GLU 117 HG2 GLU 117 -13.011 -7.206 3.151 900 2HG GLU 117 HG1 GLU 117 -12.441 -5.549 3.341 901 H GLU 118 HN GLU 118 -10.969 -8.885 1.314 902 HA GLU 118 HA GLU 118 -11.138 -9.811 3.913 903 1HB GLU 118 HB2 GLU 118 -11.189 -11.290 1.935 904 2HB GLU 118 HB1 GLU 118 -9.457 -11.038 1.704 905 1HG GLU 118 HG2 GLU 118 -10.154 -11.869 4.434 906 2HG GLU 118 HG1 GLU 118 -10.574 -13.066 3.207 907 H LYS 119 HN LYS 119 -8.142 -8.944 2.183 908 HA LYS 119 HA LYS 119 -6.382 -9.626 4.355 909 1HB LYS 119 HB2 LYS 119 -5.858 -9.095 1.843 910 2HB LYS 119 HB1 LYS 119 -5.767 -7.426 2.403 911 1HG LYS 119 HG2 LYS 119 -3.566 -8.086 2.718 912 2HG LYS 119 HG1 LYS 119 -4.246 -8.485 4.295 913 1HD LYS 119 HD2 LYS 119 -3.216 -10.495 3.808 914 2HD LYS 119 HD1 LYS 119 -4.793 -10.790 3.073 915 1HE LYS 119 HE2 LYS 119 -3.915 -10.031 0.890 916 2HE LYS 119 HE1 LYS 119 -2.335 -9.758 1.625 917 1HZ LYS 119 HZ3 LYS 119 -2.241 -12.102 2.205 918 2HZ LYS 119 HZ2 LYS 119 -3.759 -12.361 1.489 919 3HZ LYS 119 HZ1 LYS 119 -2.431 -11.905 0.532 920 H LEU 120 HN LEU 120 -7.708 -6.475 3.298 921 HA LEU 120 HA LEU 120 -6.576 -4.857 5.289 922 1HB LEU 120 HB2 LEU 120 -8.529 -4.552 3.312 923 2HB LEU 120 HB1 LEU 120 -9.363 -4.147 4.810 924 HG LEU 120 HG LEU 120 -6.706 -2.966 3.930 925 1HD1 LEU 120 HD12 LEU 120 -8.716 -2.261 2.576 926 2HD1 LEU 120 HD11 LEU 120 -9.424 -1.640 4.067 927 3HD1 LEU 120 HD13 LEU 120 -7.927 -0.945 3.446 928 1HD2 LEU 120 HD23 LEU 120 -8.414 -2.728 6.380 929 2HD2 LEU 120 HD22 LEU 120 -6.657 -2.727 6.236 930 3HD2 LEU 120 HD21 LEU 120 -7.579 -1.291 5.797 931 H ASN 121 HN ASN 121 -9.133 -7.209 5.572 932 HA ASN 121 HA ASN 121 -10.032 -6.221 8.183 933 1HB ASN 121 HB2 ASN 121 -11.010 -8.040 6.223 934 2HB ASN 121 HB1 ASN 121 -10.812 -8.943 7.726 935 1HD2 ASN 121 HD22 ASN 121 -13.824 -7.605 8.946 936 2HD2 ASN 121 HD21 ASN 121 -12.819 -8.960 8.756 937 H LYS 122 HN LYS 122 -7.622 -8.416 6.984 938 HA LYS 122 HA LYS 122 -7.316 -9.857 9.514 939 1HB LYS 122 HB2 LYS 122 -6.586 -11.222 7.808 940 2HB LYS 122 HB1 LYS 122 -6.018 -9.873 6.829 941 1HG LYS 122 HG2 LYS 122 -4.005 -9.668 8.096 942 2HG LYS 122 HG1 LYS 122 -4.625 -10.704 9.384 943 1HD LYS 122 HD2 LYS 122 -4.013 -12.591 8.295 944 2HD LYS 122 HD1 LYS 122 -4.652 -12.007 6.758 945 1HE LYS 122 HE2 LYS 122 -2.642 -10.615 6.443 946 2HE LYS 122 HE1 LYS 122 -2.000 -11.190 7.982 947 1HZ LYS 122 HZ1 LYS 122 -2.753 -13.407 6.445 948 2HZ LYS 122 HZ3 LYS 122 -1.803 -12.396 5.468 949 3HZ LYS 122 HZ2 LYS 122 -1.194 -12.956 6.952 950 H ILE 123 HN ILE 123 -6.040 -6.973 8.043 951 HA ILE 123 HA ILE 123 -3.805 -6.787 9.969 952 HB ILE 123 HB ILE 123 -4.791 -4.993 7.734 953 1HG1 ILE 123 HG12 ILE 123 -2.195 -6.528 8.000 954 2HG1 ILE 123 HG11 ILE 123 -3.626 -7.191 7.211 955 1HG2 ILE 123 HG22 ILE 123 -3.003 -4.391 9.968 956 2HG2 ILE 123 HG21 ILE 123 -2.199 -4.218 8.413 957 3HG2 ILE 123 HG23 ILE 123 -3.668 -3.311 8.744 958 1HD1 ILE 123 HD13 ILE 123 -2.299 -4.581 6.425 959 2HD1 ILE 123 HD12 ILE 123 -2.031 -6.119 5.605 960 3HD1 ILE 123 HD11 ILE 123 -3.632 -5.378 5.589 961 H PHE 124 HN PHE 124 -6.963 -5.327 9.360 962 HA PHE 124 HA PHE 124 -6.608 -3.335 11.459 963 1HB PHE 124 HB2 PHE 124 -8.864 -4.145 9.651 964 2HB PHE 124 HB1 PHE 124 -9.146 -3.067 11.010 965 HD1 PHE 124 HD2 PHE 124 -5.795 -2.897 9.424 966 HD2 PHE 124 HD1 PHE 124 -9.804 -1.370 9.375 967 HE1 PHE 124 HE2 PHE 124 -5.037 -0.956 8.116 968 HE2 PHE 124 HE1 PHE 124 -9.038 0.568 8.029 969 HZ PHE 124 HZ PHE 124 -6.686 0.759 7.405 970 H GLU 125 HN GLU 125 -7.107 -6.596 11.625 971 HA GLU 125 HA GLU 125 -9.057 -6.572 13.809 972 1HB GLU 125 HB2 GLU 125 -8.530 -8.563 12.231 973 2HB GLU 125 HB1 GLU 125 -7.092 -8.801 13.226 974 1HG GLU 125 HG2 GLU 125 -8.613 -10.164 14.337 975 2HG GLU 125 HG1 GLU 125 -8.825 -8.649 15.216 976 H LYS 126 HN LYS 126 -5.704 -6.088 13.347 977 HA LYS 126 HA LYS 126 -5.110 -6.365 16.247 978 1HB LYS 126 HB2 LYS 126 -3.145 -5.595 14.083 979 2HB LYS 126 HB1 LYS 126 -2.813 -6.347 15.643 980 1HG LYS 126 HG2 LYS 126 -4.431 -8.234 14.612 981 2HG LYS 126 HG1 LYS 126 -3.786 -7.576 13.110 982 1HD LYS 126 HD2 LYS 126 -2.304 -9.346 13.765 983 2HD LYS 126 HD1 LYS 126 -1.467 -7.833 14.106 984 1HE LYS 126 HE2 LYS 126 -1.271 -8.416 16.268 985 2HE LYS 126 HE1 LYS 126 -3.024 -8.538 16.413 986 1HZ LYS 126 HZ1 LYS 126 -2.843 -10.792 15.442 987 2HZ LYS 126 HZ3 LYS 126 -1.154 -10.660 15.516 988 3HZ LYS 126 HZ2 LYS 126 -2.069 -10.639 16.947 989 H LEU 127 HN LEU 127 -5.580 -4.070 13.670 990 HA LEU 127 HA LEU 127 -4.517 -1.791 15.164 991 1HB LEU 127 HB2 LEU 127 -4.895 -2.200 12.512 992 2HB LEU 127 HB1 LEU 127 -6.412 -1.386 12.882 993 HG LEU 127 HG LEU 127 -4.764 0.268 12.204 994 1HD1 LEU 127 HD11 LEU 127 -6.358 0.676 14.188 995 2HD1 LEU 127 HD13 LEU 127 -4.925 0.509 15.204 996 3HD1 LEU 127 HD12 LEU 127 -5.002 1.785 13.991 997 1HD2 LEU 127 HD22 LEU 127 -2.931 -1.419 13.483 998 2HD2 LEU 127 HD21 LEU 127 -2.580 0.149 12.756 999 3HD2 LEU 127 HD23 LEU 127 -2.956 0.038 14.476 1000 H GLY 128 HN GLY 128 -7.577 -3.448 14.788 1001 1HA GLY 128 HA2 GLY 128 -9.700 -2.985 15.699 1002 2HA GLY 128 HA1 GLY 128 -8.773 -2.415 17.088 1003 H MET 129 HN MET 129 -10.367 -1.432 14.120 1004 HA MET 129 HA MET 129 -9.798 1.417 14.643 1005 1HB MET 129 HB2 MET 129 -11.601 1.385 12.577 1006 2HB MET 129 HB1 MET 129 -9.852 1.293 12.371 1007 1HG MET 129 HG2 MET 129 -11.071 -0.514 11.148 1008 2HG MET 129 HG1 MET 129 -9.934 -1.142 12.337 1009 1HE MET 129 HE2 MET 129 -11.500 -2.930 11.257 1010 2HE MET 129 HE1 MET 129 -12.727 -3.689 12.267 1011 3HE MET 129 HE3 MET 129 -13.190 -2.466 11.075 Start of MODEL 41 Raw file had 1011 H/Q atoms Start of MODEL 41 1 H ALA 2 HN ALA 2 -14.753 1.281 8.604 2 HA ALA 2 HA ALA 2 -12.799 1.824 10.753 3 1HB ALA 2 HB3 ALA 2 -12.213 0.245 8.262 4 2HB ALA 2 HB2 ALA 2 -10.961 1.280 8.949 5 3HB ALA 2 HB1 ALA 2 -11.654 -0.023 9.913 6 H ASP 3 HN ASP 3 -14.368 3.765 10.004 7 HA ASP 3 HA ASP 3 -14.413 5.927 9.102 8 1HB ASP 3 HB2 ASP 3 -11.576 5.557 8.171 9 2HB ASP 3 HB1 ASP 3 -12.354 7.002 8.817 10 H LYS 4 HN LYS 4 -15.343 6.505 7.198 11 HA LYS 4 HA LYS 4 -14.873 4.814 4.822 12 1HB LYS 4 HB2 LYS 4 -16.925 6.844 5.629 13 2HB LYS 4 HB1 LYS 4 -16.692 6.518 3.917 14 1HG LYS 4 HG2 LYS 4 -17.031 4.082 4.373 15 2HG LYS 4 HG1 LYS 4 -17.355 4.474 6.059 16 1HD LYS 4 HD2 LYS 4 -19.471 4.238 4.861 17 2HD LYS 4 HD1 LYS 4 -19.247 5.921 5.336 18 1HE LYS 4 HE2 LYS 4 -18.921 6.636 3.169 19 2HE LYS 4 HE1 LYS 4 -18.211 5.107 2.655 20 1HZ LYS 4 HZ1 LYS 4 -21.029 5.143 3.456 21 2HZ LYS 4 HZ3 LYS 4 -20.617 5.778 1.938 22 3HZ LYS 4 HZ2 LYS 4 -20.241 4.164 2.313 23 H GLU 5 HN GLU 5 -13.001 6.950 5.993 24 HA GLU 5 HA GLU 5 -12.384 8.207 3.379 25 1HB GLU 5 HB2 GLU 5 -13.733 9.880 4.562 26 2HB GLU 5 HB1 GLU 5 -12.709 9.726 5.988 27 1HG GLU 5 HG2 GLU 5 -11.181 11.148 5.137 28 2HG GLU 5 HG1 GLU 5 -11.125 10.267 3.612 29 H LEU 6 HN LEU 6 -11.034 6.049 4.550 30 HA LEU 6 HA LEU 6 -8.820 7.062 6.101 31 1HB LEU 6 HB2 LEU 6 -9.765 4.700 6.249 32 2HB LEU 6 HB1 LEU 6 -9.008 4.386 4.695 33 HG LEU 6 HG LEU 6 -6.794 4.815 5.634 34 1HD1 LEU 6 HD13 LEU 6 -8.420 5.737 7.981 35 2HD1 LEU 6 HD12 LEU 6 -6.857 4.983 8.291 36 3HD1 LEU 6 HD11 LEU 6 -6.952 6.437 7.300 37 1HD2 LEU 6 HD21 LEU 6 -8.558 2.956 7.227 38 2HD2 LEU 6 HD23 LEU 6 -7.485 2.554 5.886 39 3HD2 LEU 6 HD22 LEU 6 -6.810 3.032 7.447 40 H LYS 7 HN LYS 7 -7.186 8.193 5.196 41 HA LYS 7 HA LYS 7 -6.896 8.575 2.390 42 1HB LYS 7 HB2 LYS 7 -5.446 9.362 4.833 43 2HB LYS 7 HB1 LYS 7 -4.451 9.293 3.378 44 1HG LYS 7 HG2 LYS 7 -5.862 10.841 2.224 45 2HG LYS 7 HG1 LYS 7 -7.117 10.719 3.457 46 1HD LYS 7 HD2 LYS 7 -5.512 11.688 5.118 47 2HD LYS 7 HD1 LYS 7 -4.358 11.926 3.805 48 1HE LYS 7 HE2 LYS 7 -6.342 13.182 2.641 49 2HE LYS 7 HE1 LYS 7 -6.993 13.296 4.276 50 1HZ LYS 7 HZ1 LYS 7 -4.894 14.298 4.983 51 2HZ LYS 7 HZ3 LYS 7 -4.319 14.236 3.388 52 3HZ LYS 7 HZ2 LYS 7 -5.650 15.219 3.772 53 H PHE 8 HN PHE 8 -6.057 7.236 0.888 54 HA PHE 8 HA PHE 8 -3.979 5.257 1.706 55 1HB PHE 8 HB2 PHE 8 -5.974 5.181 -0.583 56 2HB PHE 8 HB1 PHE 8 -4.708 4.002 -0.330 57 HD1 PHE 8 HD2 PHE 8 -7.889 5.327 0.922 58 HD2 PHE 8 HD1 PHE 8 -4.867 2.328 1.433 59 HE1 PHE 8 HE2 PHE 8 -9.393 4.067 2.429 60 HE2 PHE 8 HE1 PHE 8 -6.375 1.057 2.939 61 HZ PHE 8 HZ PHE 8 -8.642 1.930 3.440 62 H LEU 9 HN LEU 9 -2.088 5.199 0.457 63 HA LEU 9 HA LEU 9 -1.912 7.260 -1.721 64 1HB LEU 9 HB2 LEU 9 -0.472 7.881 0.140 65 2HB LEU 9 HB1 LEU 9 0.250 6.280 0.165 66 HG LEU 9 HG LEU 9 1.183 6.636 -2.068 67 1HD1 LEU 9 HD11 LEU 9 -0.494 9.116 -1.909 68 2HD1 LEU 9 HD13 LEU 9 0.986 9.138 -2.868 69 3HD1 LEU 9 HD12 LEU 9 -0.296 7.989 -3.252 70 1HD2 LEU 9 HD21 LEU 9 1.692 8.703 0.045 71 2HD2 LEU 9 HD23 LEU 9 2.705 7.351 -0.464 72 3HD2 LEU 9 HD22 LEU 9 2.552 8.775 -1.490 73 H VAL 10 HN VAL 10 -1.794 6.293 -3.698 74 HA VAL 10 HA VAL 10 -0.645 3.539 -3.852 75 HB VAL 10 HB VAL 10 -1.773 3.718 -6.202 76 1HG1 VAL 10 HG13 VAL 10 -3.211 3.455 -3.560 77 2HG1 VAL 10 HG12 VAL 10 -4.013 3.138 -5.098 78 3HG1 VAL 10 HG11 VAL 10 -2.625 2.165 -4.610 79 1HG2 VAL 10 HG22 VAL 10 -2.203 6.165 -5.982 80 2HG2 VAL 10 HG21 VAL 10 -3.673 5.240 -6.281 81 3HG2 VAL 10 HG23 VAL 10 -3.310 5.818 -4.657 82 H VAL 11 HN VAL 11 1.473 3.586 -4.427 83 HA VAL 11 HA VAL 11 2.415 5.679 -6.285 84 HB VAL 11 HB VAL 11 4.048 3.842 -4.517 85 1HG1 VAL 11 HG13 VAL 11 4.689 6.004 -6.461 86 2HG1 VAL 11 HG12 VAL 11 5.593 6.015 -4.951 87 3HG1 VAL 11 HG11 VAL 11 5.636 4.595 -5.994 88 1HG2 VAL 11 HG22 VAL 11 2.480 6.187 -3.911 89 2HG2 VAL 11 HG21 VAL 11 3.399 5.162 -2.811 90 3HG2 VAL 11 HG23 VAL 11 4.187 6.515 -3.625 91 H ASP 12 HN ASP 12 2.539 5.004 -8.378 92 HA ASP 12 HA ASP 12 3.767 2.376 -8.948 93 1HB ASP 12 HB2 ASP 12 1.196 2.152 -8.773 94 2HB ASP 12 HB1 ASP 12 1.147 3.077 -10.275 95 H ASP 13 HN ASP 13 2.457 2.832 -11.744 96 HA ASP 13 HA ASP 13 3.781 5.274 -12.669 97 1HB ASP 13 HB2 ASP 13 5.785 4.185 -12.893 98 2HB ASP 13 HB1 ASP 13 5.030 2.592 -12.950 99 H PHE 14 HN PHE 14 1.789 2.486 -13.155 100 HA PHE 14 HA PHE 14 1.242 2.858 -15.960 101 1HB PHE 14 HB2 PHE 14 0.477 1.037 -13.949 102 2HB PHE 14 HB1 PHE 14 -1.021 1.774 -14.516 103 HD1 PHE 14 HD1 PHE 14 -0.784 2.261 -17.271 104 HD2 PHE 14 HD2 PHE 14 0.934 -0.981 -15.035 105 HE1 PHE 14 HE1 PHE 14 -0.691 0.887 -19.333 106 HE2 PHE 14 HE2 PHE 14 1.027 -2.353 -17.097 107 HZ PHE 14 HZ PHE 14 0.213 -1.420 -19.246 108 H SER 15 HN SER 15 0.029 4.425 -16.906 109 HA SER 15 HA SER 15 -1.335 6.398 -15.223 110 1HB SER 15 HB2 SER 15 -1.651 7.642 -17.254 111 2HB SER 15 HB1 SER 15 -0.032 6.953 -17.330 112 HG SER 15 HG SER 15 -1.045 6.529 -19.265 113 H THR 16 HN THR 16 -2.494 3.821 -14.981 114 HA THR 16 HA THR 16 -5.257 4.457 -15.605 115 HB THR 16 HB THR 16 -4.550 3.627 -17.814 116 HG1 THR 16 HG1 THR 16 -6.391 2.655 -17.899 117 1HG2 THR 16 HG23 THR 16 -2.906 1.942 -16.320 118 2HG2 THR 16 HG22 THR 16 -4.116 0.860 -17.010 119 3HG2 THR 16 HG21 THR 16 -3.143 1.883 -18.067 120 H MET 17 HN MET 17 -2.825 2.213 -14.436 121 HA MET 17 HA MET 17 -4.508 0.268 -13.238 122 1HB MET 17 HB2 MET 17 -2.070 -0.008 -13.377 123 2HB MET 17 HB1 MET 17 -1.841 1.340 -12.263 124 1HG MET 17 HG2 MET 17 -2.262 0.048 -10.459 125 2HG MET 17 HG1 MET 17 -3.687 -0.666 -11.212 126 1HE MET 17 HE3 MET 17 -0.068 -0.261 -11.227 127 2HE MET 17 HE2 MET 17 0.661 -1.858 -11.362 128 3HE MET 17 HE1 MET 17 0.165 -0.997 -12.817 129 NH1 ARG 18 NH1 ARG 18 -1.122 2.743 -8.516 130 NH2 ARG 18 NH2 ARG 18 0.345 4.348 -7.896 131 H ARG 18 HN ARG 18 -3.217 3.307 -11.872 132 HA ARG 18 HA ARG 18 -4.235 3.182 -9.290 133 1HB ARG 18 HB2 ARG 18 -4.855 5.784 -10.437 134 2HB ARG 18 HB1 ARG 18 -3.709 5.371 -9.177 135 1HG ARG 18 HG2 ARG 18 -3.169 5.030 -12.149 136 2HG ARG 18 HG1 ARG 18 -2.658 6.419 -11.204 137 1HD ARG 18 HD2 ARG 18 -1.746 3.551 -10.877 138 2HD ARG 18 HD1 ARG 18 -0.771 4.958 -11.285 139 HE ARG 18 HE ARG 18 -1.706 5.679 -8.849 140 1HH1 ARG 18 HH11 ARG 18 -1.937 2.464 -9.025 141 2HH1 ARG 18 HH12 ARG 18 -0.619 2.071 -7.974 142 1HH2 ARG 18 HH21 ARG 18 0.654 5.298 -7.930 143 2HH2 ARG 18 HH22 ARG 18 0.850 3.676 -7.353 144 NH1 ARG 19 NH2 ARG 19 -5.753 7.601 -15.338 145 NH2 ARG 19 NH1 ARG 19 -5.431 8.079 -13.152 146 H ARG 19 HN ARG 19 -6.012 3.631 -12.278 147 HA ARG 19 HA ARG 19 -8.430 4.569 -11.068 148 1HB ARG 19 HB2 ARG 19 -8.249 2.944 -13.616 149 2HB ARG 19 HB1 ARG 19 -9.476 4.134 -13.184 150 1HG ARG 19 HG2 ARG 19 -6.538 4.719 -13.656 151 2HG ARG 19 HG1 ARG 19 -7.854 5.097 -14.768 152 1HD ARG 19 HD2 ARG 19 -8.876 6.369 -12.722 153 2HD ARG 19 HD1 ARG 19 -7.226 6.332 -12.099 154 HE ARG 19 HE ARG 19 -8.177 7.991 -14.280 155 1HH1 ARG 19 HH21 ARG 19 -6.356 7.316 -16.082 156 2HH1 ARG 19 HH22 ARG 19 -4.791 7.805 -15.524 157 1HH2 ARG 19 HH11 ARG 19 -5.788 8.160 -12.221 158 2HH2 ARG 19 HH12 ARG 19 -4.470 8.283 -13.338 159 H ILE 20 HN ILE 20 -7.149 1.336 -11.688 160 HA ILE 20 HA ILE 20 -9.529 -0.143 -11.177 161 HB ILE 20 HB ILE 20 -6.594 -0.734 -11.047 162 1HG1 ILE 20 HG12 ILE 20 -7.231 -2.400 -12.732 163 2HG1 ILE 20 HG11 ILE 20 -8.937 -2.033 -12.473 164 1HG2 ILE 20 HG23 ILE 20 -8.803 -2.395 -9.826 165 2HG2 ILE 20 HG22 ILE 20 -7.341 -3.146 -10.463 166 3HG2 ILE 20 HG21 ILE 20 -7.228 -1.985 -9.142 167 1HD1 ILE 20 HD12 ILE 20 -6.981 0.127 -13.252 168 2HD1 ILE 20 HD11 ILE 20 -7.753 -0.888 -14.471 169 3HD1 ILE 20 HD13 ILE 20 -8.737 0.125 -13.413 170 H VAL 21 HN VAL 21 -6.831 0.583 -8.926 171 HA VAL 21 HA VAL 21 -8.148 -0.460 -6.630 172 HB VAL 21 HB VAL 21 -6.497 1.584 -5.684 173 1HG1 VAL 21 HG11 VAL 21 -5.971 -1.320 -6.370 174 2HG1 VAL 21 HG13 VAL 21 -4.873 -0.334 -5.405 175 3HG1 VAL 21 HG12 VAL 21 -6.503 -0.671 -4.819 176 1HG2 VAL 21 HG23 VAL 21 -5.873 1.950 -8.113 177 2HG2 VAL 21 HG22 VAL 21 -4.519 1.522 -7.069 178 3HG2 VAL 21 HG21 VAL 21 -5.234 0.306 -8.128 179 NH1 ARG 22 NH1 ARG 22 -8.947 9.522 -10.329 180 NH2 ARG 22 NH2 ARG 22 -6.842 9.673 -9.518 181 H ARG 22 HN ARG 22 -8.150 2.814 -8.020 182 HA ARG 22 HA ARG 22 -9.375 4.279 -5.993 183 1HB ARG 22 HB2 ARG 22 -9.336 4.385 -8.931 184 2HB ARG 22 HB1 ARG 22 -10.763 5.131 -8.217 185 1HG ARG 22 HG2 ARG 22 -9.470 6.668 -6.959 186 2HG ARG 22 HG1 ARG 22 -7.989 5.736 -7.188 187 1HD ARG 22 HD2 ARG 22 -7.712 6.457 -9.387 188 2HD ARG 22 HD1 ARG 22 -9.426 6.819 -9.591 189 HE ARG 22 HE ARG 22 -8.387 8.565 -7.598 190 1HH1 ARG 22 HH11 ARG 22 -9.866 9.129 -10.285 191 2HH1 ARG 22 HH12 ARG 22 -8.722 10.190 -11.037 192 1HH2 ARG 22 HH21 ARG 22 -6.148 9.397 -8.855 193 2HH2 ARG 22 HH22 ARG 22 -6.618 10.342 -10.227 194 H ASN 23 HN ASN 23 -11.128 2.427 -8.507 195 HA ASN 23 HA ASN 23 -13.721 2.753 -7.368 196 1HB ASN 23 HB2 ASN 23 -12.570 1.655 -9.631 197 2HB ASN 23 HB1 ASN 23 -13.206 0.266 -8.793 198 1HD2 ASN 23 HD22 ASN 23 -15.929 3.188 -9.804 199 2HD2 ASN 23 HD21 ASN 23 -14.366 3.642 -9.323 200 H LEU 24 HN LEU 24 -11.536 -0.019 -7.426 201 HA LEU 24 HA LEU 24 -12.782 -1.892 -5.883 202 1HB LEU 24 HB2 LEU 24 -10.382 -1.803 -6.865 203 2HB LEU 24 HB1 LEU 24 -9.936 -1.116 -5.315 204 HG LEU 24 HG LEU 24 -11.507 -3.407 -4.730 205 1HD1 LEU 24 HD13 LEU 24 -9.437 -3.922 -6.887 206 2HD1 LEU 24 HD12 LEU 24 -10.171 -5.178 -5.894 207 3HD1 LEU 24 HD11 LEU 24 -11.170 -4.229 -6.993 208 1HD2 LEU 24 HD23 LEU 24 -8.605 -2.668 -4.487 209 2HD2 LEU 24 HD22 LEU 24 -9.792 -2.985 -3.225 210 3HD2 LEU 24 HD21 LEU 24 -9.104 -4.322 -4.143 211 H LEU 25 HN LEU 25 -10.646 0.586 -4.393 212 HA LEU 25 HA LEU 25 -11.417 0.058 -1.699 213 1HB LEU 25 HB2 LEU 25 -10.246 2.429 -3.130 214 2HB LEU 25 HB1 LEU 25 -10.763 2.602 -1.460 215 HG LEU 25 HG LEU 25 -9.052 0.254 -2.186 216 1HD1 LEU 25 HD13 LEU 25 -8.046 3.082 -1.742 217 2HD1 LEU 25 HD12 LEU 25 -7.030 1.642 -1.790 218 3HD1 LEU 25 HD11 LEU 25 -7.904 2.151 -3.234 219 1HD2 LEU 25 HD22 LEU 25 -9.256 2.074 0.240 220 2HD2 LEU 25 HD21 LEU 25 -9.970 0.468 0.093 221 3HD2 LEU 25 HD23 LEU 25 -8.217 0.655 0.119 222 H LYS 26 HN LYS 26 -12.705 2.426 -4.036 223 HA LYS 26 HA LYS 26 -14.616 3.600 -2.347 224 1HB LYS 26 HB2 LYS 26 -14.013 4.378 -4.660 225 2HB LYS 26 HB1 LYS 26 -14.984 3.052 -5.299 226 1HG LYS 26 HG2 LYS 26 -16.625 4.299 -3.389 227 2HG LYS 26 HG1 LYS 26 -15.857 5.621 -4.271 228 1HD LYS 26 HD2 LYS 26 -16.515 4.489 -6.414 229 2HD LYS 26 HD1 LYS 26 -17.422 3.314 -5.459 230 1HE LYS 26 HE2 LYS 26 -19.163 4.745 -5.511 231 2HE LYS 26 HE1 LYS 26 -18.221 5.819 -4.476 232 1HZ LYS 26 HZ2 LYS 26 -18.140 5.779 -7.445 233 2HZ LYS 26 HZ1 LYS 26 -18.953 6.932 -6.498 234 3HZ LYS 26 HZ3 LYS 26 -17.261 6.828 -6.438 235 H GLU 27 HN GLU 27 -14.731 0.527 -4.096 236 HA GLU 27 HA GLU 27 -17.494 0.058 -3.904 237 1HB GLU 27 HB2 GLU 27 -17.019 -2.042 -4.648 238 2HB GLU 27 HB1 GLU 27 -15.411 -1.372 -4.890 239 1HG GLU 27 HG2 GLU 27 -15.023 -3.368 -3.716 240 2HG GLU 27 HG1 GLU 27 -14.938 -2.146 -2.456 241 H LEU 28 HN LEU 28 -14.989 -0.111 -1.454 242 HA LEU 28 HA LEU 28 -16.735 -1.442 0.484 243 1HB LEU 28 HB2 LEU 28 -14.054 -1.264 0.330 244 2HB LEU 28 HB1 LEU 28 -14.364 0.104 1.398 245 HG LEU 28 HG LEU 28 -15.890 -1.559 2.704 246 1HD1 LEU 28 HD13 LEU 28 -15.250 -3.242 0.650 247 2HD1 LEU 28 HD12 LEU 28 -14.034 -3.695 1.843 248 3HD1 LEU 28 HD11 LEU 28 -15.747 -3.789 2.251 249 1HD2 LEU 28 HD21 LEU 28 -13.741 -0.616 3.534 250 2HD2 LEU 28 HD23 LEU 28 -13.972 -2.286 4.052 251 3HD2 LEU 28 HD22 LEU 28 -12.876 -1.920 2.720 252 H GLY 29 HN GLY 29 -15.163 1.761 0.600 253 1HA GLY 29 HA2 GLY 29 -17.386 3.382 0.817 254 2HA GLY 29 HA1 GLY 29 -17.130 2.759 2.441 255 H PHE 30 HN PHE 30 -14.431 3.328 0.276 256 HA PHE 30 HA PHE 30 -13.490 5.464 2.140 257 1HB PHE 30 HB2 PHE 30 -12.022 3.785 0.083 258 2HB PHE 30 HB1 PHE 30 -11.267 5.046 1.050 259 HD1 PHE 30 HD2 PHE 30 -11.825 4.841 3.679 260 HD2 PHE 30 HD1 PHE 30 -11.860 1.600 0.872 261 HE1 PHE 30 HE2 PHE 30 -11.474 3.229 5.536 262 HE2 PHE 30 HE1 PHE 30 -11.516 -0.011 2.726 263 HZ PHE 30 HZ PHE 30 -11.325 0.804 5.056 264 H ASN 31 HN ASN 31 -12.654 7.472 1.209 265 HA ASN 31 HA ASN 31 -13.164 7.915 -1.673 266 1HB ASN 31 HB2 ASN 31 -15.279 8.394 -0.222 267 2HB ASN 31 HB1 ASN 31 -14.399 9.836 0.285 268 1HD2 ASN 31 HD22 ASN 31 -14.297 11.073 -3.201 269 2HD2 ASN 31 HD21 ASN 31 -13.179 10.780 -1.957 270 H ASN 32 HN ASN 32 -10.635 7.958 -0.811 271 HA ASN 32 HA ASN 32 -9.778 10.660 -1.263 272 1HB ASN 32 HB2 ASN 32 -10.553 10.250 1.363 273 2HB ASN 32 HB1 ASN 32 -8.811 10.003 1.425 274 1HD2 ASN 32 HD22 ASN 32 -10.137 13.734 1.292 275 2HD2 ASN 32 HD21 ASN 32 -11.047 12.396 1.803 276 H VAL 33 HN VAL 33 -8.260 9.827 -2.691 277 HA VAL 33 HA VAL 33 -6.010 8.280 -1.482 278 HB VAL 33 HB VAL 33 -7.422 7.646 -4.094 279 1HG1 VAL 33 HG11 VAL 33 -4.742 7.000 -3.059 280 2HG1 VAL 33 HG13 VAL 33 -5.657 5.606 -3.628 281 3HG1 VAL 33 HG12 VAL 33 -5.352 6.964 -4.711 282 1HG2 VAL 33 HG21 VAL 33 -7.638 6.602 -1.370 283 2HG2 VAL 33 HG23 VAL 33 -8.696 6.347 -2.754 284 3HG2 VAL 33 HG22 VAL 33 -7.259 5.347 -2.543 285 H GLU 34 HN GLU 34 -3.957 8.670 -2.516 286 HA GLU 34 HA GLU 34 -3.995 10.870 -4.550 287 1HB GLU 34 HB2 GLU 34 -2.483 10.602 -2.010 288 2HB GLU 34 HB1 GLU 34 -1.577 11.209 -3.400 289 1HG GLU 34 HG2 GLU 34 -4.296 12.312 -2.685 290 2HG GLU 34 HG1 GLU 34 -2.824 12.960 -1.966 291 H GLU 35 HN GLU 35 -1.420 10.847 -5.394 292 HA GLU 35 HA GLU 35 -0.760 8.015 -6.031 293 1HB GLU 35 HB2 GLU 35 -1.487 10.187 -7.988 294 2HB GLU 35 HB1 GLU 35 -0.438 8.852 -8.464 295 1HG GLU 35 HG2 GLU 35 -2.128 7.236 -8.049 296 2HG GLU 35 HG1 GLU 35 -3.116 8.385 -7.147 297 H ALA 36 HN ALA 36 1.376 7.715 -6.837 298 HA ALA 36 HA ALA 36 3.202 10.035 -6.899 299 1HB ALA 36 HB1 ALA 36 2.962 8.353 -4.584 300 2HB ALA 36 HB3 ALA 36 4.531 8.063 -5.334 301 3HB ALA 36 HB2 ALA 36 4.072 9.694 -4.849 302 H GLU 37 HN GLU 37 5.605 8.764 -7.153 303 HA GLU 37 HA GLU 37 5.200 6.495 -9.027 304 1HB GLU 37 HB2 GLU 37 6.906 7.724 -10.564 305 2HB GLU 37 HB1 GLU 37 5.211 8.208 -10.622 306 1HG GLU 37 HG2 GLU 37 6.837 9.601 -8.581 307 2HG GLU 37 HG1 GLU 37 7.275 9.951 -10.254 308 H ASP 38 HN ASP 38 6.826 7.647 -6.405 309 HA ASP 38 HA ASP 38 8.748 5.543 -6.423 310 1HB ASP 38 HB2 ASP 38 10.720 7.422 -6.512 311 2HB ASP 38 HB1 ASP 38 10.229 6.457 -7.902 312 H GLY 39 HN GLY 39 10.730 6.543 -4.775 313 1HA GLY 39 HA2 GLY 39 9.238 6.946 -2.321 314 2HA GLY 39 HA1 GLY 39 10.995 6.913 -2.453 315 H VAL 40 HN VAL 40 11.453 9.036 -4.218 316 HA VAL 40 HA VAL 40 11.353 11.277 -2.516 317 HB VAL 40 HB VAL 40 12.794 11.293 -4.479 318 1HG1 VAL 40 HG12 VAL 40 11.286 9.951 -5.929 319 2HG1 VAL 40 HG11 VAL 40 10.230 11.355 -6.094 320 3HG1 VAL 40 HG13 VAL 40 11.869 11.403 -6.742 321 1HG2 VAL 40 HG23 VAL 40 11.750 13.460 -3.586 322 2HG2 VAL 40 HG22 VAL 40 12.398 13.525 -5.225 323 3HG2 VAL 40 HG21 VAL 40 10.659 13.380 -4.969 324 H ASP 41 HN ASP 41 8.996 10.044 -4.836 325 HA ASP 41 HA ASP 41 7.209 12.326 -4.496 326 1HB ASP 41 HB2 ASP 41 7.498 10.600 -6.490 327 2HB ASP 41 HB1 ASP 41 6.296 9.700 -5.575 328 H ALA 42 HN ALA 42 7.255 8.901 -3.400 329 HA ALA 42 HA ALA 42 4.814 9.200 -1.871 330 1HB ALA 42 HB2 ALA 42 6.261 7.043 -2.658 331 2HB ALA 42 HB1 ALA 42 6.796 7.179 -0.984 332 3HB ALA 42 HB3 ALA 42 5.081 6.989 -1.349 333 H LEU 43 HN LEU 43 8.226 8.911 -0.827 334 HA LEU 43 HA LEU 43 7.959 9.439 1.867 335 1HB LEU 43 HB2 LEU 43 10.129 8.973 0.809 336 2HB LEU 43 HB1 LEU 43 10.096 10.531 0.001 337 HG LEU 43 HG LEU 43 11.546 10.395 2.094 338 1HD1 LEU 43 HD11 LEU 43 10.135 12.517 1.117 339 2HD1 LEU 43 HD13 LEU 43 9.540 12.456 2.776 340 3HD1 LEU 43 HD12 LEU 43 11.266 12.617 2.461 341 1HD2 LEU 43 HD21 LEU 43 9.727 9.024 3.318 342 2HD2 LEU 43 HD23 LEU 43 10.579 10.265 4.237 343 3HD2 LEU 43 HD22 LEU 43 8.956 10.583 3.627 344 H ASN 44 HN ASN 44 8.293 11.939 -0.697 345 HA ASN 44 HA ASN 44 7.876 14.147 1.091 346 1HB ASN 44 HB2 ASN 44 7.521 13.827 -1.893 347 2HB ASN 44 HB1 ASN 44 7.220 15.354 -1.069 348 1HD2 ASN 44 HD22 ASN 44 10.916 14.761 -2.155 349 2HD2 ASN 44 HD21 ASN 44 9.506 14.254 -2.953 350 H LYS 45 HN LYS 45 5.660 12.189 -0.854 351 HA LYS 45 HA LYS 45 3.348 13.792 0.000 352 1HB LYS 45 HB2 LYS 45 3.572 11.255 -1.644 353 2HB LYS 45 HB1 LYS 45 2.054 12.088 -1.311 354 1HG LYS 45 HG2 LYS 45 4.269 13.765 -2.372 355 2HG LYS 45 HG1 LYS 45 3.551 12.611 -3.497 356 1HD LYS 45 HD2 LYS 45 1.318 13.514 -3.041 357 2HD LYS 45 HD1 LYS 45 1.995 14.635 -1.859 358 1HE LYS 45 HE2 LYS 45 1.779 15.924 -3.837 359 2HE LYS 45 HE1 LYS 45 3.486 15.482 -3.784 360 1HZ LYS 45 HZ3 LYS 45 2.867 13.527 -5.200 361 2HZ LYS 45 HZ2 LYS 45 1.341 14.246 -5.412 362 3HZ LYS 45 HZ1 LYS 45 2.740 15.039 -5.960 363 H LEU 46 HN LEU 46 5.168 11.649 1.643 364 HA LEU 46 HA LEU 46 2.935 10.079 2.785 365 1HB LEU 46 HB2 LEU 46 5.775 9.754 2.571 366 2HB LEU 46 HB1 LEU 46 5.357 9.754 4.278 367 HG LEU 46 HG LEU 46 5.299 7.468 3.266 368 1HD1 LEU 46 HD12 LEU 46 3.600 8.483 5.086 369 2HD1 LEU 46 HD11 LEU 46 2.442 8.052 3.831 370 3HD1 LEU 46 HD13 LEU 46 3.492 6.817 4.517 371 1HD2 LEU 46 HD21 LEU 46 4.023 8.782 1.141 372 2HD2 LEU 46 HD23 LEU 46 4.231 7.040 1.320 373 3HD2 LEU 46 HD22 LEU 46 2.758 7.816 1.896 374 H GLN 47 HN GLN 47 5.460 12.290 4.056 375 HA GLN 47 HA GLN 47 4.057 12.650 6.567 376 1HB GLN 47 HB2 GLN 47 5.662 14.614 6.811 377 2HB GLN 47 HB1 GLN 47 6.428 13.043 6.572 378 1HG GLN 47 HG2 GLN 47 7.151 13.561 4.452 379 2HG GLN 47 HG1 GLN 47 5.774 14.612 4.124 380 1HE2 GLN 47 HE22 GLN 47 7.365 17.304 6.159 381 2HE2 GLN 47 HE21 GLN 47 5.899 16.450 6.223 382 H ALA 48 HN ALA 48 3.180 13.529 3.555 383 HA ALA 48 HA ALA 48 2.559 16.214 3.459 384 1HB ALA 48 HB3 ALA 48 1.740 13.953 2.070 385 2HB ALA 48 HB2 ALA 48 0.235 14.594 2.733 386 3HB ALA 48 HB1 ALA 48 1.254 15.611 1.715 387 H GLY 49 HN GLY 49 0.194 13.814 4.699 388 1HA GLY 49 HA2 GLY 49 -0.511 15.754 6.854 389 2HA GLY 49 HA1 GLY 49 -1.791 15.156 5.798 390 H GLY 50 HN GLY 50 0.491 12.741 6.132 391 1HA GLY 50 HA2 GLY 50 0.721 10.982 7.756 392 2HA GLY 50 HA1 GLY 50 -0.638 11.664 8.650 393 OH TYR 51 OH TYR 51 -1.710 11.938 -0.228 394 H TYR 51 HN TYR 51 0.190 9.901 5.694 395 HA TYR 51 HA TYR 51 -2.511 9.321 4.935 396 1HB TYR 51 HB2 TYR 51 0.179 8.211 4.249 397 2HB TYR 51 HB1 TYR 51 -1.260 7.319 3.761 398 HD1 TYR 51 HD2 TYR 51 0.347 10.676 3.626 399 HD2 TYR 51 HD1 TYR 51 -2.548 8.009 1.915 400 HE1 TYR 51 HE2 TYR 51 -0.039 12.282 1.777 401 HE2 TYR 51 HE1 TYR 51 -2.929 9.611 0.063 402 HH TYR 51 HH TYR 51 -1.277 12.762 0.002 403 H GLY 52 HN GLY 52 -3.849 8.283 6.318 404 1HA GLY 52 HA2 GLY 52 -3.066 6.525 8.390 405 2HA GLY 52 HA1 GLY 52 -4.675 6.575 7.688 406 H PHE 53 HN PHE 53 -2.864 6.072 5.060 407 HA PHE 53 HA PHE 53 -2.235 3.229 5.418 408 1HB PHE 53 HB2 PHE 53 -4.831 3.775 5.093 409 2HB PHE 53 HB1 PHE 53 -4.348 3.774 3.412 410 HD1 PHE 53 HD1 PHE 53 -2.950 1.729 2.615 411 HD2 PHE 53 HD2 PHE 53 -5.310 1.772 6.178 412 HE1 PHE 53 HE1 PHE 53 -3.097 -0.711 2.538 413 HE2 PHE 53 HE2 PHE 53 -5.466 -0.683 6.110 414 HZ PHE 53 HZ PHE 53 -4.346 -1.950 4.290 415 H VAL 54 HN VAL 54 -0.983 2.452 3.641 416 HA VAL 54 HA VAL 54 -0.721 4.242 1.276 417 HB VAL 54 HB VAL 54 1.607 3.359 3.003 418 1HG1 VAL 54 HG13 VAL 54 1.396 4.230 0.196 419 2HG1 VAL 54 HG12 VAL 54 2.571 5.141 1.145 420 3HG1 VAL 54 HG11 VAL 54 2.712 3.388 1.016 421 1HG2 VAL 54 HG23 VAL 54 0.244 6.000 2.481 422 2HG2 VAL 54 HG22 VAL 54 0.657 5.262 4.028 423 3HG2 VAL 54 HG21 VAL 54 1.926 5.929 3.003 424 H ILE 55 HN ILE 55 -0.712 3.065 -0.532 425 HA ILE 55 HA ILE 55 -0.027 0.157 -0.365 426 HB ILE 55 HB ILE 55 -1.627 1.536 -2.535 427 1HG1 ILE 55 HG12 ILE 55 -2.652 0.089 -0.071 428 2HG1 ILE 55 HG11 ILE 55 -2.745 1.830 -0.336 429 1HG2 ILE 55 HG22 ILE 55 -0.493 -1.002 -2.352 430 2HG2 ILE 55 HG21 ILE 55 -2.179 -1.259 -1.904 431 3HG2 ILE 55 HG23 ILE 55 -1.782 -0.519 -3.455 432 1HD1 ILE 55 HD13 ILE 55 -4.054 1.389 -2.426 433 2HD1 ILE 55 HD12 ILE 55 -4.060 -0.326 -2.015 434 3HD1 ILE 55 HD11 ILE 55 -4.873 0.835 -0.966 435 H SER 56 HN SER 56 1.664 -0.571 -1.637 436 HA SER 56 HA SER 56 2.629 1.140 -3.855 437 1HB SER 56 HB2 SER 56 4.859 1.319 -3.033 438 2HB SER 56 HB1 SER 56 3.825 1.772 -1.681 439 HG SER 56 HG SER 56 5.610 0.127 -1.386 440 H ASP 57 HN ASP 57 3.460 -0.084 -5.519 441 HA ASP 57 HA ASP 57 3.101 -2.953 -5.413 442 1HB ASP 57 HB2 ASP 57 4.528 -1.258 -7.490 443 2HB ASP 57 HB1 ASP 57 3.993 -2.925 -7.707 444 CH2 TRP 58 CH2 TRP 58 9.770 -7.453 -1.798 445 H TRP 58 HN TRP 58 5.530 -3.590 -6.995 446 HA TRP 58 HA TRP 58 7.456 -3.756 -4.720 447 1HB TRP 58 HB2 TRP 58 6.625 -5.848 -5.964 448 2HB TRP 58 HB1 TRP 58 7.605 -5.291 -7.320 449 HD1 TRP 58 HD1 TRP 58 10.142 -5.721 -7.224 450 HE1 TRP 58 HE1 TRP 58 11.736 -6.780 -5.495 451 HE3 TRP 58 HE3 TRP 58 6.976 -6.130 -3.242 452 HZ2 TRP 58 HZ2 TRP 58 11.673 -7.683 -2.777 453 HZ3 TRP 58 HZ3 TRP 58 7.766 -7.096 -1.097 454 HH2 TRP 58 HH2 TRP 58 10.107 -7.875 -0.861 455 H ASN 59 HN ASN 59 9.851 -3.969 -5.793 456 HA ASN 59 HA ASN 59 10.523 -1.350 -6.697 457 1HB ASN 59 HB2 ASN 59 12.299 -3.687 -7.332 458 2HB ASN 59 HB1 ASN 59 12.729 -2.093 -6.711 459 1HD2 ASN 59 HD22 ASN 59 12.908 -4.632 -3.923 460 2HD2 ASN 59 HD21 ASN 59 13.632 -4.534 -5.456 461 H MET 60 HN MET 60 9.236 -0.860 -8.535 462 HA MET 60 HA MET 60 9.590 -2.554 -10.938 463 1HB MET 60 HB2 MET 60 7.459 -0.959 -9.928 464 2HB MET 60 HB1 MET 60 7.961 -0.270 -11.473 465 1HG MET 60 HG2 MET 60 6.269 -2.000 -11.854 466 2HG MET 60 HG1 MET 60 7.822 -2.532 -12.498 467 1HE MET 60 HE1 MET 60 6.742 -4.874 -12.603 468 2HE MET 60 HE3 MET 60 8.475 -4.870 -12.245 469 3HE MET 60 HE2 MET 60 7.401 -5.987 -11.406 470 HA PRO 61 HA PRO 61 11.136 1.767 -12.447 471 1HB PRO 61 HB2 PRO 61 12.142 3.219 -10.168 472 2HB PRO 61 HB1 PRO 61 10.838 3.690 -11.267 473 1HG PRO 61 HG2 PRO 61 10.573 2.870 -8.546 474 2HG PRO 61 HG1 PRO 61 9.268 3.192 -9.695 475 1HD PRO 61 HD2 PRO 61 10.218 0.637 -8.684 476 2HD PRO 61 HD1 PRO 61 8.768 0.971 -9.653 477 H ASN 62 HN ASN 62 12.745 0.953 -9.354 478 HA ASN 62 HA ASN 62 14.904 -0.468 -10.605 479 1HB ASN 62 HB2 ASN 62 16.719 1.165 -10.174 480 2HB ASN 62 HB1 ASN 62 15.564 1.795 -11.348 481 1HD2 ASN 62 HD22 ASN 62 14.333 4.344 -9.176 482 2HD2 ASN 62 HD21 ASN 62 13.984 3.427 -10.561 483 H MET 63 HN MET 63 16.845 0.481 -8.516 484 HA MET 63 HA MET 63 16.094 -1.303 -6.410 485 1HB MET 63 HB2 MET 63 18.119 0.946 -6.554 486 2HB MET 63 HB1 MET 63 17.936 -0.077 -5.128 487 1HG MET 63 HG2 MET 63 19.697 -1.014 -6.504 488 2HG MET 63 HG1 MET 63 18.297 -2.082 -6.604 489 1HE MET 63 HE2 MET 63 20.132 -2.754 -8.378 490 2HE MET 63 HE1 MET 63 18.590 -3.253 -9.068 491 3HE MET 63 HE3 MET 63 19.794 -2.442 -10.079 492 H ASP 64 HN ASP 64 13.853 -0.493 -6.058 493 HA ASP 64 HA ASP 64 13.805 1.478 -3.874 494 1HB ASP 64 HB2 ASP 64 12.447 1.918 -6.542 495 2HB ASP 64 HB1 ASP 64 11.941 2.751 -5.077 496 H GLY 65 HN GLY 65 10.934 1.819 -3.960 497 1HA GLY 65 HA2 GLY 65 8.954 0.687 -3.370 498 2HA GLY 65 HA1 GLY 65 9.607 -0.731 -4.173 499 H LEU 66 HN LEU 66 11.395 -1.904 -2.917 500 HA LEU 66 HA LEU 66 10.468 -2.467 -0.246 501 1HB LEU 66 HB2 LEU 66 11.951 -3.906 -1.946 502 2HB LEU 66 HB1 LEU 66 13.275 -3.126 -1.088 503 HG LEU 66 HG LEU 66 12.779 -5.255 -0.013 504 1HD1 LEU 66 HD12 LEU 66 13.255 -3.090 1.336 505 2HD1 LEU 66 HD11 LEU 66 11.553 -3.182 1.793 506 3HD1 LEU 66 HD13 LEU 66 12.649 -4.498 2.207 507 1HD2 LEU 66 HD23 LEU 66 10.184 -4.855 -0.773 508 2HD2 LEU 66 HD22 LEU 66 10.682 -6.031 0.441 509 3HD2 LEU 66 HD21 LEU 66 10.095 -4.448 0.939 510 H GLU 67 HN GLU 67 13.187 -0.614 -1.588 511 HA GLU 67 HA GLU 67 14.244 0.200 0.969 512 1HB GLU 67 HB2 GLU 67 15.442 0.346 -1.278 513 2HB GLU 67 HB1 GLU 67 14.432 1.749 -1.630 514 1HG GLU 67 HG2 GLU 67 15.310 2.435 0.832 515 2HG GLU 67 HG1 GLU 67 16.684 1.472 0.287 516 H LEU 68 HN LEU 68 11.635 1.269 -1.078 517 HA LEU 68 HA LEU 68 11.219 3.864 0.095 518 1HB LEU 68 HB2 LEU 68 9.841 2.064 -1.747 519 2HB LEU 68 HB1 LEU 68 8.703 2.812 -0.647 520 HG LEU 68 HG LEU 68 10.094 5.013 -1.379 521 1HD1 LEU 68 HD12 LEU 68 11.445 3.326 -2.881 522 2HD1 LEU 68 HD11 LEU 68 10.037 3.444 -3.937 523 3HD1 LEU 68 HD13 LEU 68 10.971 4.885 -3.547 524 1HD2 LEU 68 HD22 LEU 68 7.741 3.593 -2.593 525 2HD2 LEU 68 HD21 LEU 68 7.787 5.112 -1.696 526 3HD2 LEU 68 HD23 LEU 68 8.345 5.053 -3.365 527 H LEU 69 HN LEU 69 9.451 0.814 0.524 528 HA LEU 69 HA LEU 69 7.985 1.543 2.824 529 1HB LEU 69 HB2 LEU 69 8.357 -0.733 1.259 530 2HB LEU 69 HB1 LEU 69 8.874 -1.228 2.867 531 HG LEU 69 HG LEU 69 6.208 0.087 2.246 532 1HD1 LEU 69 HD12 LEU 69 6.812 -2.418 1.503 533 2HD1 LEU 69 HD11 LEU 69 6.502 -2.720 3.208 534 3HD1 LEU 69 HD13 LEU 69 5.245 -2.022 2.199 535 1HD2 LEU 69 HD22 LEU 69 7.349 -1.207 4.731 536 2HD2 LEU 69 HD21 LEU 69 6.946 0.492 4.549 537 3HD2 LEU 69 HD23 LEU 69 5.671 -0.718 4.549 538 H LYS 70 HN LYS 70 10.904 -0.535 2.783 539 HA LYS 70 HA LYS 70 11.488 -0.576 5.497 540 1HB LYS 70 HB2 LYS 70 12.832 -1.735 3.739 541 2HB LYS 70 HB1 LYS 70 13.549 -0.183 3.306 542 1HG LYS 70 HG2 LYS 70 14.460 0.059 5.570 543 2HG LYS 70 HG1 LYS 70 13.698 -1.456 6.055 544 1HD LYS 70 HD2 LYS 70 15.432 -1.567 3.643 545 2HD LYS 70 HD1 LYS 70 16.252 -1.320 5.186 546 1HE LYS 70 HE2 LYS 70 14.176 -3.484 4.824 547 2HE LYS 70 HE1 LYS 70 15.876 -3.757 4.441 548 1HZ LYS 70 HZ3 LYS 70 16.251 -2.778 6.786 549 2HZ LYS 70 HZ2 LYS 70 14.626 -3.201 7.045 550 3HZ LYS 70 HZ1 LYS 70 15.764 -4.394 6.631 551 H THR 71 HN THR 71 12.181 2.062 3.215 552 HA THR 71 HA THR 71 13.594 3.686 5.142 553 HB THR 71 HB THR 71 12.162 4.370 2.560 554 HG1 THR 71 HG1 THR 71 14.784 3.822 3.372 555 1HG2 THR 71 HG23 THR 71 13.631 6.106 4.535 556 2HG2 THR 71 HG22 THR 71 13.561 6.529 2.825 557 3HG2 THR 71 HG21 THR 71 12.072 6.395 3.762 558 H ILE 72 HN ILE 72 10.201 3.481 4.092 559 HA ILE 72 HA ILE 72 9.172 5.678 5.561 560 HB ILE 72 HB ILE 72 7.939 2.999 4.859 561 1HG1 ILE 72 HG12 ILE 72 7.275 5.724 3.741 562 2HG1 ILE 72 HG11 ILE 72 8.598 4.774 3.078 563 1HG2 ILE 72 HG23 ILE 72 6.759 5.426 6.199 564 2HG2 ILE 72 HG22 ILE 72 5.768 4.270 5.308 565 3HG2 ILE 72 HG21 ILE 72 6.678 3.743 6.724 566 1HD1 ILE 72 HD13 ILE 72 6.242 3.107 3.356 567 2HD1 ILE 72 HD12 ILE 72 5.854 4.557 2.438 568 3HD1 ILE 72 HD11 ILE 72 7.155 3.501 1.899 569 NH1 ARG 73 NH1 ARG 73 10.076 -1.997 11.465 570 NH2 ARG 73 NH2 ARG 73 8.048 -2.282 12.421 571 H ARG 73 HN ARG 73 10.356 2.582 6.586 572 HA ARG 73 HA ARG 73 9.166 2.829 9.277 573 1HB ARG 73 HB2 ARG 73 10.025 0.678 7.685 574 2HB ARG 73 HB1 ARG 73 11.213 0.778 8.982 575 1HG ARG 73 HG2 ARG 73 8.215 0.742 9.454 576 2HG ARG 73 HG1 ARG 73 9.231 -0.696 9.499 577 1HD ARG 73 HD2 ARG 73 10.655 0.507 11.236 578 2HD ARG 73 HD1 ARG 73 9.376 1.718 11.319 579 HE ARG 73 HE ARG 73 8.196 0.196 12.658 580 1HH1 ARG 73 HH11 ARG 73 10.793 -1.392 11.117 581 2HH1 ARG 73 HH12 ARG 73 10.198 -2.989 11.428 582 1HH2 ARG 73 HH21 ARG 73 7.209 -1.894 12.804 583 2HH2 ARG 73 HH22 ARG 73 8.169 -3.274 12.384 584 H ALA 74 HN ALA 74 12.189 3.402 7.615 585 HA ALA 74 HA ALA 74 14.082 3.397 9.645 586 1HB ALA 74 HB3 ALA 74 14.550 4.027 7.284 587 2HB ALA 74 HB2 ALA 74 13.755 5.576 7.561 588 3HB ALA 74 HB1 ALA 74 15.239 5.181 8.426 589 H ASP 75 HN ASP 75 11.414 5.630 9.216 590 HA ASP 75 HA ASP 75 12.322 7.687 10.982 591 1HB ASP 75 HB2 ASP 75 9.995 7.135 9.472 592 2HB ASP 75 HB1 ASP 75 9.461 7.340 11.141 593 H GLY 76 HN GLY 76 10.586 8.007 13.029 594 1HA GLY 76 HA2 GLY 76 11.549 6.260 15.046 595 2HA GLY 76 HA1 GLY 76 10.147 7.313 15.226 596 H ALA 77 HN ALA 77 9.359 5.391 16.517 597 HA ALA 77 HA ALA 77 8.659 2.961 15.077 598 1HB ALA 77 HB2 ALA 77 9.061 3.203 17.606 599 2HB ALA 77 HB1 ALA 77 7.437 3.889 17.681 600 3HB ALA 77 HB3 ALA 77 7.670 2.236 17.113 601 H MET 78 HN MET 78 7.626 5.761 14.270 602 HA MET 78 HA MET 78 4.704 5.367 14.514 603 1HB MET 78 HB2 MET 78 6.055 7.640 14.576 604 2HB MET 78 HB1 MET 78 5.961 7.503 12.821 605 1HG MET 78 HG2 MET 78 3.998 8.665 13.266 606 2HG MET 78 HG1 MET 78 3.411 7.002 13.308 607 1HE MET 78 HE3 MET 78 2.122 9.520 14.385 608 2HE MET 78 HE2 MET 78 1.244 8.060 14.833 609 3HE MET 78 HE1 MET 78 1.618 9.266 16.062 610 H SER 79 HN SER 79 7.295 4.995 12.189 611 HA SER 79 HA SER 79 7.266 4.272 9.946 612 1HB SER 79 HB2 SER 79 6.558 2.239 11.305 613 2HB SER 79 HB1 SER 79 4.894 2.648 10.901 614 HG SER 79 HG SER 79 5.294 1.567 9.144 615 H ALA 80 HN ALA 80 4.265 3.254 9.252 616 HA ALA 80 HA ALA 80 3.063 5.893 8.720 617 1HB ALA 80 HB2 ALA 80 3.794 3.972 6.495 618 2HB ALA 80 HB1 ALA 80 2.820 5.430 6.302 619 3HB ALA 80 HB3 ALA 80 4.512 5.560 6.774 620 H LEU 81 HN LEU 81 1.974 4.166 10.445 621 HA LEU 81 HA LEU 81 0.200 2.726 10.884 622 1HB LEU 81 HB2 LEU 81 -1.199 4.220 8.684 623 2HB LEU 81 HB1 LEU 81 -1.750 3.817 10.300 624 HG LEU 81 HG LEU 81 0.374 5.395 10.921 625 1HD1 LEU 81 HD13 LEU 81 0.142 5.932 8.222 626 2HD1 LEU 81 HD12 LEU 81 -0.892 7.163 8.933 627 3HD1 LEU 81 HD11 LEU 81 0.795 7.044 9.417 628 1HD2 LEU 81 HD22 LEU 81 -2.558 5.958 10.564 629 2HD2 LEU 81 HD21 LEU 81 -1.644 5.717 12.049 630 3HD2 LEU 81 HD23 LEU 81 -1.463 7.213 11.136 631 HA PRO 82 HA PRO 82 -0.288 -0.710 8.183 632 1HB PRO 82 HB2 PRO 82 -2.781 -0.443 6.793 633 2HB PRO 82 HB1 PRO 82 -2.388 -1.494 8.141 634 1HG PRO 82 HG2 PRO 82 -4.042 0.822 8.210 635 2HG PRO 82 HG1 PRO 82 -3.520 -0.152 9.590 636 1HD PRO 82 HD2 PRO 82 -2.648 2.481 8.794 637 2HD PRO 82 HD1 PRO 82 -2.240 1.595 10.282 638 H VAL 83 HN VAL 83 0.173 -1.527 6.191 639 HA VAL 83 HA VAL 83 0.019 0.257 3.809 640 HB VAL 83 HB VAL 83 2.454 -1.122 4.949 641 1HG1 VAL 83 HG11 VAL 83 1.725 -0.757 2.034 642 2HG1 VAL 83 HG13 VAL 83 3.407 -0.669 2.544 643 3HG1 VAL 83 HG12 VAL 83 2.486 -2.145 2.821 644 1HG2 VAL 83 HG23 VAL 83 1.708 1.510 4.777 645 2HG2 VAL 83 HG22 VAL 83 3.380 0.957 4.860 646 3HG2 VAL 83 HG21 VAL 83 2.649 1.316 3.298 647 H LEU 84 HN LEU 84 -0.556 -0.895 1.984 648 HA LEU 84 HA LEU 84 -0.635 -3.852 2.294 649 1HB LEU 84 HB2 LEU 84 -2.908 -2.974 2.241 650 2HB LEU 84 HB1 LEU 84 -2.558 -2.099 0.749 651 HG LEU 84 HG LEU 84 -2.191 -4.211 -0.434 652 1HD1 LEU 84 HD11 LEU 84 -2.450 -5.338 2.330 653 2HD1 LEU 84 HD13 LEU 84 -2.957 -6.313 0.954 654 3HD1 LEU 84 HD12 LEU 84 -1.294 -5.744 1.062 655 1HD2 LEU 84 HD22 LEU 84 -4.689 -3.508 0.892 656 2HD2 LEU 84 HD21 LEU 84 -4.394 -4.010 -0.769 657 3HD2 LEU 84 HD23 LEU 84 -4.594 -5.223 0.492 658 H MET 85 HN MET 85 1.544 -3.771 1.496 659 HA MET 85 HA MET 85 2.217 -2.719 -1.070 660 1HB MET 85 HB2 MET 85 3.800 -3.582 0.779 661 2HB MET 85 HB1 MET 85 3.438 -5.198 0.180 662 1HG MET 85 HG2 MET 85 4.082 -4.126 -2.159 663 2HG MET 85 HG1 MET 85 4.944 -2.972 -1.150 664 1HE MET 85 HE2 MET 85 4.073 -6.439 -1.898 665 2HE MET 85 HE1 MET 85 5.565 -7.373 -1.865 666 3HE MET 85 HE3 MET 85 4.639 -7.128 -0.380 667 H VAL 86 HN VAL 86 2.520 -4.063 -3.066 668 HA VAL 86 HA VAL 86 0.958 -6.567 -3.108 669 HB VAL 86 HB VAL 86 -0.718 -4.825 -3.390 670 1HG1 VAL 86 HG12 VAL 86 0.817 -3.063 -4.195 671 2HG1 VAL 86 HG11 VAL 86 0.946 -3.898 -5.743 672 3HG1 VAL 86 HG13 VAL 86 -0.601 -3.225 -5.231 673 1HG2 VAL 86 HG23 VAL 86 -0.126 -6.842 -5.346 674 2HG2 VAL 86 HG22 VAL 86 -1.682 -6.256 -4.801 675 3HG2 VAL 86 HG21 VAL 86 -0.865 -5.452 -6.138 676 H THR 87 HN THR 87 1.597 -7.942 -4.774 677 HA THR 87 HA THR 87 3.333 -6.873 -6.918 678 HB THR 87 HB THR 87 4.974 -7.328 -5.197 679 HG1 THR 87 HG1 THR 87 5.943 -9.297 -6.239 680 1HG2 THR 87 HG22 THR 87 3.599 -10.018 -4.988 681 2HG2 THR 87 HG21 THR 87 5.137 -9.627 -4.218 682 3HG2 THR 87 HG23 THR 87 3.672 -8.768 -3.746 683 H ALA 88 HN ALA 88 4.043 -8.842 -8.354 684 HA ALA 88 HA ALA 88 1.635 -10.572 -8.704 685 1HB ALA 88 HB2 ALA 88 2.947 -8.955 -10.522 686 2HB ALA 88 HB1 ALA 88 3.618 -10.549 -10.869 687 3HB ALA 88 HB3 ALA 88 1.875 -10.291 -10.941 688 H GLU 89 HN GLU 89 5.187 -10.625 -8.605 689 HA GLU 89 HA GLU 89 5.273 -13.545 -8.842 690 1HB GLU 89 HB2 GLU 89 7.135 -11.388 -9.061 691 2HB GLU 89 HB1 GLU 89 7.719 -12.482 -7.806 692 1HG GLU 89 HG2 GLU 89 7.498 -14.389 -9.343 693 2HG GLU 89 HG1 GLU 89 6.885 -13.313 -10.600 694 H ALA 90 HN ALA 90 6.342 -11.275 -6.283 695 HA ALA 90 HA ALA 90 6.514 -11.603 -3.966 696 1HB ALA 90 HB2 ALA 90 3.871 -12.345 -4.826 697 2HB ALA 90 HB1 ALA 90 4.362 -13.391 -3.494 698 3HB ALA 90 HB3 ALA 90 4.372 -11.641 -3.288 699 H LYS 91 HN LYS 91 8.383 -12.832 -3.727 700 HA LYS 91 HA LYS 91 8.194 -15.776 -4.042 701 1HB LYS 91 HB2 LYS 91 10.275 -13.838 -4.347 702 2HB LYS 91 HB1 LYS 91 10.750 -14.945 -3.058 703 1HG LYS 91 HG2 LYS 91 10.343 -16.867 -4.523 704 2HG LYS 91 HG1 LYS 91 9.784 -15.793 -5.806 705 1HD LYS 91 HD2 LYS 91 12.485 -15.274 -4.639 706 2HD LYS 91 HD1 LYS 91 12.309 -16.656 -5.721 707 1HE LYS 91 HE2 LYS 91 11.392 -15.220 -7.470 708 2HE LYS 91 HE1 LYS 91 11.439 -13.828 -6.387 709 1HZ LYS 91 HZ3 LYS 91 13.924 -15.309 -6.775 710 2HZ LYS 91 HZ2 LYS 91 13.379 -14.359 -8.074 711 3HZ LYS 91 HZ1 LYS 91 13.675 -13.645 -6.561 712 H LYS 92 HN LYS 92 7.810 -17.038 -2.285 713 HA LYS 92 HA LYS 92 7.145 -16.154 0.257 714 1HB LYS 92 HB2 LYS 92 8.455 -18.746 -0.594 715 2HB LYS 92 HB1 LYS 92 7.882 -18.466 1.051 716 1HG LYS 92 HG2 LYS 92 5.942 -17.774 -1.066 717 2HG LYS 92 HG1 LYS 92 6.331 -19.492 -0.953 718 1HD LYS 92 HD2 LYS 92 5.750 -19.521 1.407 719 2HD LYS 92 HD1 LYS 92 5.503 -17.775 1.404 720 1HE LYS 92 HE2 LYS 92 3.378 -19.147 1.234 721 2HE LYS 92 HE1 LYS 92 3.601 -17.964 -0.055 722 1HZ LYS 92 HZ1 LYS 92 4.737 -20.595 -0.525 723 2HZ LYS 92 HZ3 LYS 92 3.044 -20.522 -0.497 724 3HZ LYS 92 HZ2 LYS 92 3.916 -19.557 -1.591 725 H GLU 93 HN GLU 93 10.337 -16.445 -1.101 726 HA GLU 93 HA GLU 93 11.661 -16.227 1.481 727 1HB GLU 93 HB2 GLU 93 12.775 -16.072 -1.330 728 2HB GLU 93 HB1 GLU 93 13.738 -16.161 0.145 729 1HG GLU 93 HG2 GLU 93 12.468 -18.319 0.674 730 2HG GLU 93 HG1 GLU 93 11.887 -18.264 -0.991 731 H ASN 94 HN ASN 94 10.726 -14.126 -1.175 732 HA ASN 94 HA ASN 94 12.225 -11.847 -0.040 733 1HB ASN 94 HB2 ASN 94 10.705 -12.392 -2.551 734 2HB ASN 94 HB1 ASN 94 10.803 -10.717 -2.009 735 1HD2 ASN 94 HD22 ASN 94 14.281 -12.641 -3.081 736 2HD2 ASN 94 HD21 ASN 94 12.950 -13.563 -2.572 737 H ILE 95 HN ILE 95 9.120 -13.267 0.250 738 HA ILE 95 HA ILE 95 7.660 -10.822 0.850 739 HB ILE 95 HB ILE 95 7.061 -13.749 1.348 740 1HG1 ILE 95 HG12 ILE 95 5.742 -11.767 -0.525 741 2HG1 ILE 95 HG11 ILE 95 7.089 -12.794 -1.016 742 1HG2 ILE 95 HG23 ILE 95 5.584 -11.250 2.117 743 2HG2 ILE 95 HG22 ILE 95 4.667 -12.682 1.650 744 3HG2 ILE 95 HG21 ILE 95 5.775 -12.753 3.020 745 1HD1 ILE 95 HD11 ILE 95 4.945 -14.260 0.358 746 2HD1 ILE 95 HD13 ILE 95 4.427 -13.506 -1.150 747 3HD1 ILE 95 HD12 ILE 95 5.778 -14.639 -1.151 748 H ILE 96 HN ILE 96 10.100 -12.337 2.483 749 HA ILE 96 HA ILE 96 8.965 -11.974 5.183 750 HB ILE 96 HB ILE 96 11.717 -12.854 4.267 751 1HG1 ILE 96 HG12 ILE 96 9.590 -14.535 5.599 752 2HG1 ILE 96 HG11 ILE 96 9.627 -14.332 3.847 753 1HG2 ILE 96 HG21 ILE 96 10.488 -12.389 6.963 754 2HG2 ILE 96 HG23 ILE 96 11.632 -13.716 6.768 755 3HG2 ILE 96 HG22 ILE 96 12.132 -12.063 6.412 756 1HD1 ILE 96 HD11 ILE 96 12.082 -15.185 5.382 757 2HD1 ILE 96 HD13 ILE 96 10.891 -16.360 4.823 758 3HD1 ILE 96 HD12 ILE 96 11.754 -15.355 3.657 759 H ALA 97 HN ALA 97 11.869 -10.789 3.474 760 HA ALA 97 HA ALA 97 12.683 -8.822 5.255 761 1HB ALA 97 HB1 ALA 97 13.067 -9.365 2.456 762 2HB ALA 97 HB3 ALA 97 12.863 -7.629 2.689 763 3HB ALA 97 HB2 ALA 97 14.129 -8.494 3.562 764 H ALA 98 HN ALA 98 10.307 -8.373 2.631 765 HA ALA 98 HA ALA 98 9.599 -5.717 3.121 766 1HB ALA 98 HB3 ALA 98 8.622 -7.694 1.503 767 2HB ALA 98 HB2 ALA 98 7.295 -7.506 2.650 768 3HB ALA 98 HB1 ALA 98 7.854 -6.121 1.712 769 H ALA 99 HN ALA 99 8.052 -8.601 4.606 770 HA ALA 99 HA ALA 99 6.318 -7.240 6.329 771 1HB ALA 99 HB2 ALA 99 6.774 -9.831 5.896 772 2HB ALA 99 HB1 ALA 99 7.711 -9.663 7.381 773 3HB ALA 99 HB3 ALA 99 5.991 -9.272 7.374 774 H GLN 100 HN GLN 100 9.757 -7.988 6.779 775 HA GLN 100 HA GLN 100 9.970 -7.212 9.505 776 1HB GLN 100 HB2 GLN 100 11.718 -8.250 7.779 777 2HB GLN 100 HB1 GLN 100 12.195 -6.560 7.620 778 1HG GLN 100 HG2 GLN 100 13.535 -7.205 9.401 779 2HG GLN 100 HG1 GLN 100 12.111 -6.624 10.266 780 1HE2 GLN 100 HE22 GLN 100 11.030 -10.288 10.378 781 2HE2 GLN 100 HE21 GLN 100 10.462 -8.989 9.444 782 H ALA 101 HN ALA 101 9.393 -5.321 6.696 783 HA ALA 101 HA ALA 101 10.312 -2.820 8.005 784 1HB ALA 101 HB1 ALA 101 9.325 -3.490 5.227 785 2HB ALA 101 HB3 ALA 101 9.536 -1.825 5.765 786 3HB ALA 101 HB2 ALA 101 10.922 -2.914 5.703 787 H GLY 102 HN GLY 102 7.717 -2.441 5.874 788 1HA GLY 102 HA2 GLY 102 5.741 -2.194 8.059 789 2HA GLY 102 HA1 GLY 102 5.934 -0.900 6.883 790 H ALA 103 HN ALA 103 6.576 -3.686 5.343 791 HA ALA 103 HA ALA 103 4.395 -3.705 3.571 792 1HB ALA 103 HB3 ALA 103 6.786 -4.943 3.657 793 2HB ALA 103 HB2 ALA 103 5.734 -6.291 4.076 794 3HB ALA 103 HB1 ALA 103 5.490 -5.418 2.564 795 H SER 104 HN SER 104 3.925 -4.123 6.661 796 HA SER 104 HA SER 104 2.862 -6.388 7.578 797 1HB SER 104 HB2 SER 104 1.415 -3.728 7.527 798 2HB SER 104 HB1 SER 104 0.865 -5.100 8.483 799 HG SER 104 HG SER 104 3.550 -4.300 8.652 800 H GLY 105 HN GLY 105 1.385 -4.656 4.862 801 1HA GLY 105 HA2 GLY 105 -0.569 -6.920 4.594 802 2HA GLY 105 HA1 GLY 105 -0.887 -5.286 4.042 803 OH TYR 106 OH TYR 106 2.251 -13.111 -2.504 804 H TYR 106 HN TYR 106 -0.143 -8.255 2.898 805 HA TYR 106 HA TYR 106 1.122 -7.107 0.460 806 1HB TYR 106 HB2 TYR 106 3.062 -8.139 1.038 807 2HB TYR 106 HB1 TYR 106 2.264 -9.179 2.219 808 HD1 TYR 106 HD1 TYR 106 2.257 -8.659 -1.535 809 HD2 TYR 106 HD2 TYR 106 2.203 -11.462 1.729 810 HE1 TYR 106 HE1 TYR 106 2.270 -10.545 -3.136 811 HE2 TYR 106 HE2 TYR 106 2.221 -13.336 0.123 812 HH TYR 106 HH TYR 106 1.930 -13.891 -2.048 813 H VAL 107 HN VAL 107 -0.312 -7.493 -1.116 814 HA VAL 107 HA VAL 107 -1.759 -10.115 -1.131 815 HB VAL 107 HB VAL 107 -3.404 -8.393 -0.950 816 1HG1 VAL 107 HG12 VAL 107 -1.443 -6.900 -2.565 817 2HG1 VAL 107 HG11 VAL 107 -3.123 -6.616 -3.021 818 3HG1 VAL 107 HG13 VAL 107 -2.594 -6.314 -1.368 819 1HG2 VAL 107 HG21 VAL 107 -3.636 -10.103 -2.858 820 2HG2 VAL 107 HG23 VAL 107 -4.631 -8.652 -2.972 821 3HG2 VAL 107 HG22 VAL 107 -3.163 -8.793 -3.937 822 H VAL 108 HN VAL 108 -1.528 -11.353 -3.000 823 HA VAL 108 HA VAL 108 0.575 -10.453 -4.839 824 HB VAL 108 HB VAL 108 0.788 -12.738 -4.302 825 1HG1 VAL 108 HG12 VAL 108 -2.165 -12.622 -4.291 826 2HG1 VAL 108 HG11 VAL 108 -1.490 -14.131 -4.903 827 3HG1 VAL 108 HG13 VAL 108 -1.073 -13.571 -3.283 828 1HG2 VAL 108 HG21 VAL 108 0.625 -12.099 -6.848 829 2HG2 VAL 108 HG23 VAL 108 0.674 -13.800 -6.384 830 3HG2 VAL 108 HG22 VAL 108 -0.864 -13.043 -6.796 831 H LYS 109 HN LYS 109 -0.232 -8.938 -6.324 832 HA LYS 109 HA LYS 109 -2.903 -8.904 -7.314 833 1HB LYS 109 HB2 LYS 109 -2.220 -6.943 -8.205 834 2HB LYS 109 HB1 LYS 109 -0.632 -7.289 -7.545 835 1HG LYS 109 HG2 LYS 109 -0.036 -8.492 -9.652 836 2HG LYS 109 HG1 LYS 109 -1.602 -8.027 -10.325 837 1HD LYS 109 HD2 LYS 109 -0.922 -5.610 -9.730 838 2HD LYS 109 HD1 LYS 109 0.712 -6.253 -9.564 839 1HE LYS 109 HE2 LYS 109 0.436 -7.248 -11.887 840 2HE LYS 109 HE1 LYS 109 -1.043 -6.297 -12.030 841 1HZ LYS 109 HZ3 LYS 109 1.492 -5.019 -11.238 842 2HZ LYS 109 HZ2 LYS 109 1.147 -5.302 -12.877 843 3HZ LYS 109 HZ1 LYS 109 0.121 -4.318 -11.948 844 HA PRO 110 HA PRO 110 -3.759 -8.140 -9.456 845 1HB PRO 110 HB2 PRO 110 -5.772 -9.677 -10.798 846 2HB PRO 110 HB1 PRO 110 -4.767 -8.391 -11.483 847 1HG PRO 110 HG2 PRO 110 -4.622 -11.169 -12.099 848 2HG PRO 110 HG1 PRO 110 -3.500 -9.906 -12.623 849 1HD PRO 110 HD2 PRO 110 -3.126 -11.964 -10.557 850 2HD PRO 110 HD1 PRO 110 -1.913 -10.926 -11.335 851 H PHE 111 HN PHE 111 -5.809 -7.823 -8.294 852 HA PHE 111 HA PHE 111 -6.855 -10.227 -6.862 853 1HB PHE 111 HB2 PHE 111 -7.108 -8.769 -4.810 854 2HB PHE 111 HB1 PHE 111 -5.451 -9.199 -5.210 855 HD1 PHE 111 HD1 PHE 111 -8.016 -6.488 -5.524 856 HD2 PHE 111 HD2 PHE 111 -3.864 -7.538 -5.743 857 HE1 PHE 111 HE1 PHE 111 -7.391 -4.106 -5.792 858 HE2 PHE 111 HE2 PHE 111 -3.252 -5.157 -6.011 859 HZ PHE 111 HZ PHE 111 -5.028 -3.434 -6.026 860 H THR 112 HN THR 112 -8.947 -9.976 -6.074 861 HA THR 112 HA THR 112 -10.575 -7.955 -7.546 862 HB THR 112 HB THR 112 -11.851 -10.169 -5.999 863 HG1 THR 112 HG1 THR 112 -10.514 -10.569 -8.468 864 1HG2 THR 112 HG23 THR 112 -13.167 -8.546 -7.307 865 2HG2 THR 112 HG22 THR 112 -12.290 -9.009 -8.766 866 3HG2 THR 112 HG21 THR 112 -13.342 -10.175 -7.961 867 H ALA 113 HN ALA 113 -12.107 -6.701 -6.221 868 HA ALA 113 HA ALA 113 -11.084 -5.737 -3.808 869 1HB ALA 113 HB1 ALA 113 -13.176 -4.967 -5.240 870 2HB ALA 113 HB3 ALA 113 -14.066 -5.961 -4.087 871 3HB ALA 113 HB2 ALA 113 -13.095 -4.604 -3.515 872 H ALA 114 HN ALA 114 -12.578 -8.759 -4.413 873 HA ALA 114 HA ALA 114 -13.437 -9.271 -1.690 874 1HB ALA 114 HB2 ALA 114 -13.433 -10.681 -4.223 875 2HB ALA 114 HB1 ALA 114 -12.829 -11.732 -2.942 876 3HB ALA 114 HB3 ALA 114 -14.421 -10.986 -2.794 877 H THR 115 HN THR 115 -10.534 -10.068 -3.611 878 HA THR 115 HA THR 115 -9.214 -11.409 -1.424 879 HB THR 115 HB THR 115 -7.212 -10.302 -3.051 880 HG1 THR 115 HG1 THR 115 -9.417 -9.954 -4.290 881 1HG2 THR 115 HG23 THR 115 -8.674 -12.951 -3.219 882 2HG2 THR 115 HG22 THR 115 -7.114 -12.613 -3.969 883 3HG2 THR 115 HG21 THR 115 -7.271 -12.596 -2.212 884 H LEU 116 HN LEU 116 -8.500 -8.149 -2.878 885 HA LEU 116 HA LEU 116 -6.884 -7.225 -0.798 886 1HB LEU 116 HB2 LEU 116 -8.077 -6.075 -3.006 887 2HB LEU 116 HB1 LEU 116 -8.830 -5.209 -1.667 888 HG LEU 116 HG LEU 116 -6.539 -4.872 -0.695 889 1HD1 LEU 116 HD12 LEU 116 -5.835 -6.449 -3.089 890 2HD1 LEU 116 HD11 LEU 116 -4.863 -4.994 -2.877 891 3HD1 LEU 116 HD13 LEU 116 -4.930 -6.202 -1.598 892 1HD2 LEU 116 HD22 LEU 116 -7.776 -3.165 -2.098 893 2HD2 LEU 116 HD21 LEU 116 -6.026 -2.973 -2.070 894 3HD2 LEU 116 HD23 LEU 116 -6.808 -3.705 -3.467 895 H GLU 117 HN GLU 117 -10.449 -7.446 -0.786 896 HA GLU 117 HA GLU 117 -10.733 -5.985 1.675 897 1HB GLU 117 HB2 GLU 117 -12.648 -6.158 0.222 898 2HB GLU 117 HB1 GLU 117 -12.583 -7.922 0.278 899 1HG GLU 117 HG2 GLU 117 -13.288 -7.995 2.530 900 2HG GLU 117 HG1 GLU 117 -12.903 -6.294 2.797 901 H GLU 118 HN GLU 118 -11.173 -9.459 1.026 902 HA GLU 118 HA GLU 118 -11.518 -10.470 3.546 903 1HB GLU 118 HB2 GLU 118 -11.302 -11.789 1.398 904 2HB GLU 118 HB1 GLU 118 -9.553 -11.703 1.603 905 1HG GLU 118 HG2 GLU 118 -10.277 -13.792 2.560 906 2HG GLU 118 HG1 GLU 118 -9.865 -12.722 3.899 907 H LYS 119 HN LYS 119 -8.430 -9.301 2.247 908 HA LYS 119 HA LYS 119 -6.947 -10.203 4.598 909 1HB LYS 119 HB2 LYS 119 -6.226 -8.353 2.311 910 2HB LYS 119 HB1 LYS 119 -5.108 -8.795 3.602 911 1HG LYS 119 HG2 LYS 119 -5.176 -11.110 2.998 912 2HG LYS 119 HG1 LYS 119 -6.551 -10.856 1.923 913 1HD LYS 119 HD2 LYS 119 -4.399 -11.070 0.682 914 2HD LYS 119 HD1 LYS 119 -5.178 -9.510 0.419 915 1HE LYS 119 HE2 LYS 119 -2.640 -9.522 0.952 916 2HE LYS 119 HE1 LYS 119 -3.657 -8.378 1.822 917 1HZ LYS 119 HZ1 LYS 119 -3.827 -10.070 3.611 918 2HZ LYS 119 HZ3 LYS 119 -2.675 -11.005 2.790 919 3HZ LYS 119 HZ2 LYS 119 -2.254 -9.469 3.383 920 H LEU 120 HN LEU 120 -7.835 -6.968 3.332 921 HA LEU 120 HA LEU 120 -6.900 -5.391 5.421 922 1HB LEU 120 HB2 LEU 120 -8.308 -4.801 3.255 923 2HB LEU 120 HB1 LEU 120 -9.658 -4.837 4.388 924 HG LEU 120 HG LEU 120 -7.964 -3.363 5.851 925 1HD1 LEU 120 HD11 LEU 120 -6.171 -3.479 4.145 926 2HD1 LEU 120 HD13 LEU 120 -7.249 -2.719 2.973 927 3HD1 LEU 120 HD12 LEU 120 -6.717 -1.820 4.393 928 1HD2 LEU 120 HD21 LEU 120 -9.725 -2.406 3.575 929 2HD2 LEU 120 HD23 LEU 120 -10.193 -2.632 5.260 930 3HD2 LEU 120 HD22 LEU 120 -9.072 -1.343 4.821 931 H ASN 121 HN ASN 121 -9.992 -7.156 5.307 932 HA ASN 121 HA ASN 121 -11.090 -6.269 7.731 933 1HB ASN 121 HB2 ASN 121 -11.280 -8.824 6.175 934 2HB ASN 121 HB1 ASN 121 -12.019 -8.735 7.772 935 1HD2 ASN 121 HD22 ASN 121 -14.802 -6.957 6.570 936 2HD2 ASN 121 HD21 ASN 121 -14.132 -7.949 7.774 937 H LYS 122 HN LYS 122 -8.830 -8.974 7.214 938 HA LYS 122 HA LYS 122 -8.709 -9.792 9.944 939 1HB LYS 122 HB2 LYS 122 -7.806 -11.024 7.877 940 2HB LYS 122 HB1 LYS 122 -6.404 -9.965 7.999 941 1HG LYS 122 HG2 LYS 122 -5.892 -12.014 9.187 942 2HG LYS 122 HG1 LYS 122 -6.098 -10.726 10.372 943 1HD LYS 122 HD2 LYS 122 -8.016 -11.637 11.231 944 2HD LYS 122 HD1 LYS 122 -8.554 -12.253 9.671 945 1HE LYS 122 HE2 LYS 122 -7.878 -14.038 11.335 946 2HE LYS 122 HE1 LYS 122 -7.034 -14.113 9.789 947 1HZ LYS 122 HZ1 LYS 122 -5.447 -12.473 11.176 948 2HZ LYS 122 HZ3 LYS 122 -6.016 -13.471 12.423 949 3HZ LYS 122 HZ2 LYS 122 -5.222 -14.155 11.085 950 H ILE 123 HN ILE 123 -6.545 -7.646 8.097 951 HA ILE 123 HA ILE 123 -4.857 -6.947 10.294 952 HB ILE 123 HB ILE 123 -5.582 -5.402 7.785 953 1HG1 ILE 123 HG12 ILE 123 -3.117 -7.043 8.434 954 2HG1 ILE 123 HG11 ILE 123 -4.495 -7.668 7.527 955 1HG2 ILE 123 HG23 ILE 123 -3.992 -4.641 10.100 956 2HG2 ILE 123 HG22 ILE 123 -3.005 -4.693 8.644 957 3HG2 ILE 123 HG21 ILE 123 -4.443 -3.679 8.693 958 1HD1 ILE 123 HD11 ILE 123 -3.632 -5.100 6.477 959 2HD1 ILE 123 HD13 ILE 123 -2.307 -6.264 6.477 960 3HD1 ILE 123 HD12 ILE 123 -3.813 -6.641 5.640 961 H PHE 124 HN PHE 124 -7.926 -5.634 9.155 962 HA PHE 124 HA PHE 124 -7.844 -3.466 11.152 963 1HB PHE 124 HB2 PHE 124 -9.602 -4.193 8.841 964 2HB PHE 124 HB1 PHE 124 -10.229 -3.130 10.092 965 HD1 PHE 124 HD1 PHE 124 -6.577 -3.095 9.356 966 HD2 PHE 124 HD2 PHE 124 -10.391 -1.308 8.491 967 HE1 PHE 124 HE1 PHE 124 -5.443 -1.129 8.400 968 HE2 PHE 124 HE2 PHE 124 -9.236 0.655 7.521 969 HZ PHE 124 HZ PHE 124 -6.790 0.735 7.490 970 H GLU 125 HN GLU 125 -8.621 -6.678 11.293 971 HA GLU 125 HA GLU 125 -11.002 -6.352 12.983 972 1HB GLU 125 HB2 GLU 125 -10.713 -8.419 11.639 973 2HB GLU 125 HB1 GLU 125 -9.232 -8.782 12.527 974 1HG GLU 125 HG2 GLU 125 -10.373 -9.272 14.502 975 2HG GLU 125 HG1 GLU 125 -11.775 -8.300 14.049 976 H LYS 126 HN LYS 126 -7.556 -6.526 13.283 977 HA LYS 126 HA LYS 126 -7.720 -6.709 16.244 978 1HB LYS 126 HB2 LYS 126 -5.315 -6.613 14.387 979 2HB LYS 126 HB1 LYS 126 -5.252 -6.859 16.133 980 1HG LYS 126 HG2 LYS 126 -6.776 -8.878 15.767 981 2HG LYS 126 HG1 LYS 126 -6.436 -8.696 14.045 982 1HD LYS 126 HD2 LYS 126 -4.051 -8.969 14.436 983 2HD LYS 126 HD1 LYS 126 -4.308 -9.007 16.182 984 1HE LYS 126 HE2 LYS 126 -4.046 -11.275 14.956 985 2HE LYS 126 HE1 LYS 126 -5.378 -11.108 16.100 986 1HZ LYS 126 HZ1 LYS 126 -6.790 -10.463 14.174 987 2HZ LYS 126 HZ3 LYS 126 -5.507 -10.878 13.145 988 3HZ LYS 126 HZ2 LYS 126 -6.232 -12.066 14.119 989 H LEU 127 HN LEU 127 -7.331 -4.483 13.634 990 HA LEU 127 HA LEU 127 -6.205 -2.370 15.355 991 1HB LEU 127 HB2 LEU 127 -6.133 -2.873 12.596 992 2HB LEU 127 HB1 LEU 127 -7.197 -1.475 12.757 993 HG LEU 127 HG LEU 127 -4.408 -1.736 13.926 994 1HD1 LEU 127 HD12 LEU 127 -5.519 -0.026 11.679 995 2HD1 LEU 127 HD11 LEU 127 -3.880 0.084 12.322 996 3HD1 LEU 127 HD13 LEU 127 -4.407 -1.383 11.496 997 1HD2 LEU 127 HD22 LEU 127 -6.654 0.112 14.422 998 2HD2 LEU 127 HD21 LEU 127 -5.235 -0.223 15.413 999 3HD2 LEU 127 HD23 LEU 127 -5.124 0.910 14.065 1000 H GLY 128 HN GLY 128 -9.280 -3.297 13.874 1001 1HA GLY 128 HA2 GLY 128 -11.417 -2.298 14.053 1002 2HA GLY 128 HA1 GLY 128 -10.980 -2.218 15.759 1003 H MET 129 HN MET 129 -10.712 -0.403 12.696 1004 HA MET 129 HA MET 129 -10.059 2.057 14.183 1005 1HB MET 129 HB2 MET 129 -10.490 1.548 11.225 1006 2HB MET 129 HB1 MET 129 -9.917 3.054 11.926 1007 1HG MET 129 HG2 MET 129 -8.221 1.173 13.043 1008 2HG MET 129 HG1 MET 129 -8.451 0.577 11.401 1009 1HE MET 129 HE2 MET 129 -8.214 3.477 13.533 1010 2HE MET 129 HE1 MET 129 -6.496 3.822 13.356 1011 3HE MET 129 HE3 MET 129 -7.693 4.823 12.524 Start of MODEL 42 Raw file had 1011 H/Q atoms Start of MODEL 42 1 H ALA 2 HN ALA 2 -13.544 -0.465 8.198 2 HA ALA 2 HA ALA 2 -13.213 1.295 10.392 3 1HB ALA 2 HB2 ALA 2 -11.508 0.829 7.929 4 2HB ALA 2 HB1 ALA 2 -10.995 1.856 9.268 5 3HB ALA 2 HB3 ALA 2 -11.286 0.137 9.536 6 H ASP 3 HN ASP 3 -11.841 3.550 9.541 7 HA ASP 3 HA ASP 3 -13.802 5.470 9.099 8 1HB ASP 3 HB2 ASP 3 -11.006 5.462 9.212 9 2HB ASP 3 HB1 ASP 3 -11.379 6.164 7.637 10 H LYS 4 HN LYS 4 -14.767 6.409 7.249 11 HA LYS 4 HA LYS 4 -14.693 4.695 4.852 12 1HB LYS 4 HB2 LYS 4 -16.380 7.149 5.371 13 2HB LYS 4 HB1 LYS 4 -16.627 5.960 4.097 14 1HG LYS 4 HG2 LYS 4 -16.778 5.403 7.076 15 2HG LYS 4 HG1 LYS 4 -18.159 5.548 5.988 16 1HD LYS 4 HD2 LYS 4 -16.788 3.692 4.627 17 2HD LYS 4 HD1 LYS 4 -16.166 3.340 6.239 18 1HE LYS 4 HE2 LYS 4 -19.086 3.449 5.436 19 2HE LYS 4 HE1 LYS 4 -18.162 1.992 5.801 20 1HZ LYS 4 HZ1 LYS 4 -17.791 3.713 7.934 21 2HZ LYS 4 HZ3 LYS 4 -19.449 3.769 7.583 22 3HZ LYS 4 HZ2 LYS 4 -18.702 2.279 7.914 23 H GLU 5 HN GLU 5 -12.667 6.937 5.823 24 HA GLU 5 HA GLU 5 -12.172 7.891 3.062 25 1HB GLU 5 HB2 GLU 5 -12.674 9.655 5.459 26 2HB GLU 5 HB1 GLU 5 -11.702 10.215 4.098 27 1HG GLU 5 HG2 GLU 5 -13.592 9.693 2.566 28 2HG GLU 5 HG1 GLU 5 -14.565 9.225 3.961 29 H LEU 6 HN LEU 6 -10.695 5.930 4.349 30 HA LEU 6 HA LEU 6 -8.477 7.078 5.790 31 1HB LEU 6 HB2 LEU 6 -9.174 4.739 6.077 32 2HB LEU 6 HB1 LEU 6 -8.770 4.404 4.399 33 HG LEU 6 HG LEU 6 -6.403 4.969 4.866 34 1HD1 LEU 6 HD13 LEU 6 -7.579 5.578 7.564 35 2HD1 LEU 6 HD12 LEU 6 -5.919 4.998 7.451 36 3HD1 LEU 6 HD11 LEU 6 -6.387 6.492 6.642 37 1HD2 LEU 6 HD23 LEU 6 -7.923 2.808 6.163 38 2HD2 LEU 6 HD22 LEU 6 -6.502 2.722 5.129 39 3HD2 LEU 6 HD21 LEU 6 -6.324 3.088 6.847 40 H LYS 7 HN LYS 7 -6.758 8.139 4.863 41 HA LYS 7 HA LYS 7 -6.722 8.615 2.032 42 1HB LYS 7 HB2 LYS 7 -4.965 9.331 4.341 43 2HB LYS 7 HB1 LYS 7 -4.335 9.540 2.708 44 1HG LYS 7 HG2 LYS 7 -6.290 10.915 2.113 45 2HG LYS 7 HG1 LYS 7 -6.945 10.694 3.737 46 1HD LYS 7 HD2 LYS 7 -5.512 12.206 4.656 47 2HD LYS 7 HD1 LYS 7 -4.161 11.681 3.650 48 1HE LYS 7 HE2 LYS 7 -5.002 14.034 3.185 49 2HE LYS 7 HE1 LYS 7 -4.940 12.968 1.782 50 1HZ LYS 7 HZ3 LYS 7 -7.404 12.517 2.849 51 2HZ LYS 7 HZ2 LYS 7 -7.199 14.193 3.037 52 3HZ LYS 7 HZ1 LYS 7 -7.068 13.485 1.497 53 H PHE 8 HN PHE 8 -6.015 7.255 0.494 54 HA PHE 8 HA PHE 8 -3.900 5.279 1.172 55 1HB PHE 8 HB2 PHE 8 -5.923 5.366 -1.086 56 2HB PHE 8 HB1 PHE 8 -4.631 4.190 -0.985 57 HD1 PHE 8 HD2 PHE 8 -7.699 5.428 0.642 58 HD2 PHE 8 HD1 PHE 8 -4.760 2.325 0.504 59 HE1 PHE 8 HE2 PHE 8 -9.091 4.043 2.147 60 HE2 PHE 8 HE1 PHE 8 -6.153 0.923 2.016 61 HZ PHE 8 HZ PHE 8 -8.326 1.790 2.834 62 H LEU 9 HN LEU 9 -2.097 5.092 -0.222 63 HA LEU 9 HA LEU 9 -1.763 7.303 -2.208 64 1HB LEU 9 HB2 LEU 9 -0.347 7.868 -0.331 65 2HB LEU 9 HB1 LEU 9 0.269 6.226 -0.233 66 HG LEU 9 HG LEU 9 1.405 6.450 -2.366 67 1HD1 LEU 9 HD11 LEU 9 -0.179 9.000 -2.497 68 2HD1 LEU 9 HD13 LEU 9 1.316 8.836 -3.412 69 3HD1 LEU 9 HD12 LEU 9 -0.029 7.736 -3.716 70 1HD2 LEU 9 HD22 LEU 9 1.779 8.776 -0.473 71 2HD2 LEU 9 HD21 LEU 9 2.725 7.290 -0.585 72 3HD2 LEU 9 HD23 LEU 9 2.838 8.504 -1.856 73 H VAL 10 HN VAL 10 -2.000 6.170 -4.093 74 HA VAL 10 HA VAL 10 -0.872 3.447 -4.276 75 HB VAL 10 HB VAL 10 -1.967 4.636 -6.729 76 1HG1 VAL 10 HG11 VAL 10 -1.541 2.175 -6.127 77 2HG1 VAL 10 HG13 VAL 10 -2.970 2.296 -5.099 78 3HG1 VAL 10 HG12 VAL 10 -3.110 2.549 -6.839 79 1HG2 VAL 10 HG23 VAL 10 -3.600 4.534 -4.175 80 2HG2 VAL 10 HG22 VAL 10 -3.363 5.917 -5.243 81 3HG2 VAL 10 HG21 VAL 10 -4.331 4.547 -5.780 82 H VAL 11 HN VAL 11 1.330 3.499 -4.520 83 HA VAL 11 HA VAL 11 2.561 5.518 -6.244 84 HB VAL 11 HB VAL 11 3.883 3.250 -4.743 85 1HG1 VAL 11 HG12 VAL 11 4.850 5.370 -6.494 86 2HG1 VAL 11 HG11 VAL 11 5.603 5.431 -4.900 87 3HG1 VAL 11 HG13 VAL 11 5.698 3.960 -5.865 88 1HG2 VAL 11 HG21 VAL 11 3.276 6.092 -3.896 89 2HG2 VAL 11 HG23 VAL 11 2.700 4.611 -3.132 90 3HG2 VAL 11 HG22 VAL 11 4.409 5.040 -3.049 91 H ASP 12 HN ASP 12 2.629 5.083 -8.418 92 HA ASP 12 HA ASP 12 3.768 2.639 -9.431 93 1HB ASP 12 HB2 ASP 12 0.837 2.798 -9.063 94 2HB ASP 12 HB1 ASP 12 1.363 2.221 -10.645 95 H ASP 13 HN ASP 13 2.673 2.543 -11.961 96 HA ASP 13 HA ASP 13 2.509 5.283 -13.017 97 1HB ASP 13 HB2 ASP 13 4.419 4.252 -14.707 98 2HB ASP 13 HB1 ASP 13 4.747 5.370 -13.382 99 H PHE 14 HN PHE 14 1.255 2.294 -13.012 100 HA PHE 14 HA PHE 14 1.167 1.405 -15.679 101 1HB PHE 14 HB2 PHE 14 -1.467 1.041 -14.856 102 2HB PHE 14 HB1 PHE 14 -0.154 -0.098 -14.593 103 HD1 PHE 14 HD1 PHE 14 -1.611 3.003 -13.107 104 HD2 PHE 14 HD2 PHE 14 0.299 -0.773 -12.419 105 HE1 PHE 14 HE1 PHE 14 -1.942 3.282 -10.655 106 HE2 PHE 14 HE2 PHE 14 -0.022 -0.499 -9.973 107 HZ PHE 14 HZ PHE 14 -1.151 1.528 -9.093 108 H SER 15 HN SER 15 -0.548 4.083 -14.146 109 HA SER 15 HA SER 15 -1.561 5.956 -15.157 110 1HB SER 15 HB2 SER 15 0.325 5.281 -16.974 111 2HB SER 15 HB1 SER 15 -1.123 4.945 -17.920 112 HG SER 15 HG SER 15 -0.855 7.337 -16.449 113 H THR 16 HN THR 16 -2.899 3.407 -14.573 114 HA THR 16 HA THR 16 -5.463 3.933 -15.735 115 HB THR 16 HB THR 16 -4.572 3.011 -17.797 116 HG1 THR 16 HG1 THR 16 -5.926 0.966 -16.375 117 1HG2 THR 16 HG22 THR 16 -2.579 1.947 -16.784 118 2HG2 THR 16 HG21 THR 16 -3.606 0.703 -16.080 119 3HG2 THR 16 HG23 THR 16 -3.436 0.820 -17.830 120 H MET 17 HN MET 17 -3.249 1.716 -14.164 121 HA MET 17 HA MET 17 -5.368 0.059 -13.101 122 1HB MET 17 HB2 MET 17 -2.693 -0.280 -13.349 123 2HB MET 17 HB1 MET 17 -2.759 0.247 -11.674 124 1HG MET 17 HG2 MET 17 -3.283 -1.851 -11.090 125 2HG MET 17 HG1 MET 17 -4.780 -1.699 -11.984 126 1HE MET 17 HE1 MET 17 -4.432 -1.525 -14.806 127 2HE MET 17 HE3 MET 17 -4.229 -3.194 -15.361 128 3HE MET 17 HE2 MET 17 -5.369 -2.820 -14.070 129 NH1 ARG 18 NH2 ARG 18 -5.382 8.876 -11.765 130 NH2 ARG 18 NH1 ARG 18 -7.051 7.749 -12.792 131 H ARG 18 HN ARG 18 -3.564 2.925 -12.061 132 HA ARG 18 HA ARG 18 -4.260 3.180 -9.381 133 1HB ARG 18 HB2 ARG 18 -4.830 5.704 -10.228 134 2HB ARG 18 HB1 ARG 18 -3.206 5.117 -9.944 135 1HG ARG 18 HG2 ARG 18 -2.802 4.753 -12.240 136 2HG ARG 18 HG1 ARG 18 -4.518 4.744 -12.628 137 1HD ARG 18 HD2 ARG 18 -3.628 7.265 -11.412 138 2HD ARG 18 HD1 ARG 18 -2.810 6.902 -12.929 139 HE ARG 18 HE ARG 18 -5.048 6.770 -14.000 140 1HH1 ARG 18 HH21 ARG 18 -4.407 9.002 -11.581 141 2HH1 ARG 18 HH22 ARG 18 -6.052 9.492 -11.350 142 1HH2 ARG 18 HH11 ARG 18 -7.355 7.011 -13.394 143 2HH2 ARG 18 HH12 ARG 18 -7.722 8.364 -12.376 144 NH1 ARG 19 NH1 ARG 19 -10.761 4.493 -17.071 145 NH2 ARG 19 NH2 ARG 19 -11.170 2.376 -16.392 146 H ARG 19 HN ARG 19 -6.295 4.160 -12.170 147 HA ARG 19 HA ARG 19 -8.439 4.969 -10.486 148 1HB ARG 19 HB2 ARG 19 -9.848 4.676 -12.629 149 2HB ARG 19 HB1 ARG 19 -8.522 5.836 -12.678 150 1HG ARG 19 HG2 ARG 19 -7.076 4.181 -13.752 151 2HG ARG 19 HG1 ARG 19 -8.357 2.971 -13.649 152 1HD ARG 19 HD2 ARG 19 -9.547 5.197 -14.883 153 2HD ARG 19 HD1 ARG 19 -7.957 5.050 -15.631 154 HE ARG 19 HE ARG 19 -8.641 2.572 -15.981 155 1HH1 ARG 19 HH11 ARG 19 -10.155 5.287 -17.114 156 2HH1 ARG 19 HH12 ARG 19 -11.660 4.528 -17.507 157 1HH2 ARG 19 HH21 ARG 19 -10.877 1.548 -15.912 158 2HH2 ARG 19 HH22 ARG 19 -12.070 2.410 -16.826 159 H ILE 20 HN ILE 20 -7.511 1.821 -11.692 160 HA ILE 20 HA ILE 20 -10.065 0.539 -11.248 161 HB ILE 20 HB ILE 20 -7.290 -0.321 -11.834 162 1HG1 ILE 20 HG12 ILE 20 -9.917 -1.561 -12.658 163 2HG1 ILE 20 HG11 ILE 20 -9.294 -0.097 -13.422 164 1HG2 ILE 20 HG23 ILE 20 -9.209 -2.075 -10.273 165 2HG2 ILE 20 HG22 ILE 20 -7.919 -2.730 -11.276 166 3HG2 ILE 20 HG21 ILE 20 -7.521 -1.714 -9.895 167 1HD1 ILE 20 HD11 ILE 20 -7.725 -2.680 -13.203 168 2HD1 ILE 20 HD13 ILE 20 -8.664 -2.220 -14.623 169 3HD1 ILE 20 HD12 ILE 20 -7.282 -1.243 -14.124 170 H VAL 21 HN VAL 21 -7.050 0.568 -9.312 171 HA VAL 21 HA VAL 21 -8.139 -0.792 -7.078 172 HB VAL 21 HB VAL 21 -6.257 1.108 -6.110 173 1HG1 VAL 21 HG11 VAL 21 -6.034 -1.791 -6.969 174 2HG1 VAL 21 HG13 VAL 21 -4.813 -0.934 -6.030 175 3HG1 VAL 21 HG12 VAL 21 -6.421 -1.196 -5.354 176 1HG2 VAL 21 HG21 VAL 21 -5.775 1.588 -8.502 177 2HG2 VAL 21 HG23 VAL 21 -4.415 0.801 -7.703 178 3HG2 VAL 21 HG22 VAL 21 -5.470 -0.128 -8.767 179 NH1 ARG 22 NH1 ARG 22 -7.832 8.158 -10.339 180 NH2 ARG 22 NH2 ARG 22 -10.034 8.599 -10.088 181 H ARG 22 HN ARG 22 -8.093 2.678 -7.866 182 HA ARG 22 HA ARG 22 -9.088 3.745 -5.474 183 1HB ARG 22 HB2 ARG 22 -9.127 4.493 -8.302 184 2HB ARG 22 HB1 ARG 22 -10.560 5.059 -7.452 185 1HG ARG 22 HG2 ARG 22 -9.006 6.011 -5.675 186 2HG ARG 22 HG1 ARG 22 -7.665 5.632 -6.758 187 1HD ARG 22 HD2 ARG 22 -9.881 7.634 -7.115 188 2HD ARG 22 HD1 ARG 22 -8.143 7.862 -7.297 189 HE ARG 22 HE ARG 22 -9.238 5.996 -9.244 190 1HH1 ARG 22 HH11 ARG 22 -7.027 7.614 -10.107 191 2HH1 ARG 22 HH12 ARG 22 -7.757 8.910 -10.995 192 1HH2 ARG 22 HH21 ARG 22 -10.916 8.394 -9.662 193 2HH2 ARG 22 HH22 ARG 22 -9.959 9.352 -10.742 194 H ASN 23 HN ASN 23 -10.972 2.450 -8.208 195 HA ASN 23 HA ASN 23 -13.544 2.641 -7.049 196 1HB ASN 23 HB2 ASN 23 -12.411 1.741 -9.396 197 2HB ASN 23 HB1 ASN 23 -13.012 0.273 -8.678 198 1HD2 ASN 23 HD22 ASN 23 -16.418 1.905 -8.487 199 2HD2 ASN 23 HD21 ASN 23 -15.305 1.403 -7.307 200 H LEU 24 HN LEU 24 -11.438 -0.184 -7.362 201 HA LEU 24 HA LEU 24 -12.770 -2.060 -5.834 202 1HB LEU 24 HB2 LEU 24 -10.538 -2.321 -7.003 203 2HB LEU 24 HB1 LEU 24 -9.794 -1.530 -5.627 204 HG LEU 24 HG LEU 24 -11.577 -3.799 -4.934 205 1HD1 LEU 24 HD11 LEU 24 -9.035 -4.224 -6.520 206 2HD1 LEU 24 HD13 LEU 24 -9.863 -5.491 -5.614 207 3HD1 LEU 24 HD12 LEU 24 -10.666 -4.714 -6.978 208 1HD2 LEU 24 HD23 LEU 24 -8.974 -2.660 -4.005 209 2HD2 LEU 24 HD22 LEU 24 -10.328 -3.286 -3.075 210 3HD2 LEU 24 HD21 LEU 24 -9.183 -4.396 -3.820 211 H LEU 25 HN LEU 25 -11.081 0.782 -4.686 212 HA LEU 25 HA LEU 25 -11.328 0.016 -1.848 213 1HB LEU 25 HB2 LEU 25 -10.120 2.250 -3.411 214 2HB LEU 25 HB1 LEU 25 -10.635 2.627 -1.775 215 HG LEU 25 HG LEU 25 -8.843 0.290 -2.494 216 1HD1 LEU 25 HD13 LEU 25 -8.275 3.151 -1.909 217 2HD1 LEU 25 HD12 LEU 25 -7.234 1.962 -1.125 218 3HD1 LEU 25 HD11 LEU 25 -7.365 1.997 -2.884 219 1HD2 LEU 25 HD21 LEU 25 -10.103 1.277 0.001 220 2HD2 LEU 25 HD23 LEU 25 -9.506 -0.333 -0.401 221 3HD2 LEU 25 HD22 LEU 25 -8.384 0.916 0.133 222 H LYS 26 HN LYS 26 -12.963 2.035 -4.220 223 HA LYS 26 HA LYS 26 -14.689 3.348 -2.344 224 1HB LYS 26 HB2 LYS 26 -14.296 4.237 -4.620 225 2HB LYS 26 HB1 LYS 26 -15.097 2.821 -5.300 226 1HG LYS 26 HG2 LYS 26 -17.118 3.754 -4.986 227 2HG LYS 26 HG1 LYS 26 -16.775 3.999 -3.273 228 1HD LYS 26 HD2 LYS 26 -15.530 6.075 -3.843 229 2HD LYS 26 HD1 LYS 26 -15.962 5.845 -5.538 230 1HE LYS 26 HE2 LYS 26 -17.482 7.430 -4.293 231 2HE LYS 26 HE1 LYS 26 -18.314 6.070 -5.043 232 1HZ LYS 26 HZ3 LYS 26 -17.427 6.125 -2.211 233 2HZ LYS 26 HZ2 LYS 26 -19.001 6.504 -2.725 234 3HZ LYS 26 HZ1 LYS 26 -18.383 4.939 -2.957 235 H GLU 27 HN GLU 27 -14.849 0.345 -4.192 236 HA GLU 27 HA GLU 27 -17.547 -0.313 -3.846 237 1HB GLU 27 HB2 GLU 27 -15.625 -1.600 -5.064 238 2HB GLU 27 HB1 GLU 27 -15.404 -2.396 -3.505 239 1HG GLU 27 HG2 GLU 27 -16.932 -3.788 -4.672 240 2HG GLU 27 HG1 GLU 27 -17.940 -2.844 -3.572 241 H LEU 28 HN LEU 28 -14.850 -0.542 -1.583 242 HA LEU 28 HA LEU 28 -16.459 -1.899 0.452 243 1HB LEU 28 HB2 LEU 28 -13.669 -1.072 0.117 244 2HB LEU 28 HB1 LEU 28 -14.271 -0.817 1.753 245 HG LEU 28 HG LEU 28 -15.045 -3.153 1.845 246 1HD1 LEU 28 HD12 LEU 28 -14.537 -2.964 -1.010 247 2HD1 LEU 28 HD11 LEU 28 -13.710 -4.353 -0.309 248 3HD1 LEU 28 HD13 LEU 28 -15.454 -4.179 -0.121 249 1HD2 LEU 28 HD22 LEU 28 -12.178 -2.521 1.198 250 2HD2 LEU 28 HD21 LEU 28 -12.892 -2.996 2.738 251 3HD2 LEU 28 HD23 LEU 28 -12.652 -4.197 1.470 252 H GLY 29 HN GLY 29 -14.961 1.332 0.234 253 1HA GLY 29 HA2 GLY 29 -17.013 2.991 0.848 254 2HA GLY 29 HA1 GLY 29 -16.622 2.295 2.415 255 H PHE 30 HN PHE 30 -14.803 3.681 -0.355 256 HA PHE 30 HA PHE 30 -13.455 5.514 1.543 257 1HB PHE 30 HB2 PHE 30 -11.994 3.472 -0.147 258 2HB PHE 30 HB1 PHE 30 -11.205 4.816 0.672 259 HD1 PHE 30 HD1 PHE 30 -11.079 4.892 3.112 260 HD2 PHE 30 HD2 PHE 30 -12.866 1.573 1.084 261 HE1 PHE 30 HE1 PHE 30 -10.961 3.557 5.199 262 HE2 PHE 30 HE2 PHE 30 -12.753 0.232 3.171 263 HZ PHE 30 HZ PHE 30 -11.800 1.227 5.229 264 H ASN 31 HN ASN 31 -12.775 7.431 0.502 265 HA ASN 31 HA ASN 31 -12.688 7.475 -2.452 266 1HB ASN 31 HB2 ASN 31 -15.093 7.920 -1.551 267 2HB ASN 31 HB1 ASN 31 -14.450 9.493 -1.080 268 1HD2 ASN 31 HD22 ASN 31 -14.329 8.630 -5.107 269 2HD2 ASN 31 HD21 ASN 31 -13.975 7.402 -3.991 270 H ASN 32 HN ASN 32 -10.371 7.879 -1.408 271 HA ASN 32 HA ASN 32 -9.721 10.637 -1.852 272 1HB ASN 32 HB2 ASN 32 -10.767 10.280 0.677 273 2HB ASN 32 HB1 ASN 32 -9.035 10.134 0.963 274 1HD2 ASN 32 HD22 ASN 32 -8.342 13.523 -0.047 275 2HD2 ASN 32 HD21 ASN 32 -7.659 11.969 -0.001 276 H VAL 33 HN VAL 33 -7.929 9.974 -3.036 277 HA VAL 33 HA VAL 33 -5.695 8.818 -1.471 278 HB VAL 33 HB VAL 33 -5.393 6.907 -2.724 279 1HG1 VAL 33 HG13 VAL 33 -7.649 6.786 -1.679 280 2HG1 VAL 33 HG12 VAL 33 -8.347 7.379 -3.185 281 3HG1 VAL 33 HG11 VAL 33 -7.528 5.818 -3.145 282 1HG2 VAL 33 HG21 VAL 33 -6.696 8.439 -4.979 283 2HG2 VAL 33 HG23 VAL 33 -5.058 7.784 -4.899 284 3HG2 VAL 33 HG22 VAL 33 -6.434 6.702 -5.076 285 H GLU 34 HN GLU 34 -3.711 8.637 -3.105 286 HA GLU 34 HA GLU 34 -3.750 10.867 -5.069 287 1HB GLU 34 HB2 GLU 34 -1.788 10.592 -2.778 288 2HB GLU 34 HB1 GLU 34 -1.537 11.659 -4.154 289 1HG GLU 34 HG2 GLU 34 -4.053 12.404 -3.396 290 2HG GLU 34 HG1 GLU 34 -3.365 11.952 -1.839 291 H GLU 35 HN GLU 35 -1.060 10.730 -5.794 292 HA GLU 35 HA GLU 35 -0.499 7.849 -6.229 293 1HB GLU 35 HB2 GLU 35 -2.017 8.988 -8.083 294 2HB GLU 35 HB1 GLU 35 -0.463 9.595 -8.654 295 1HG GLU 35 HG2 GLU 35 0.270 7.064 -8.296 296 2HG GLU 35 HG1 GLU 35 -1.458 6.777 -8.507 297 H ALA 36 HN ALA 36 1.623 7.397 -6.819 298 HA ALA 36 HA ALA 36 3.525 9.675 -7.049 299 1HB ALA 36 HB2 ALA 36 3.211 8.295 -4.673 300 2HB ALA 36 HB1 ALA 36 4.546 7.441 -5.442 301 3HB ALA 36 HB3 ALA 36 4.661 9.175 -5.149 302 H GLU 37 HN GLU 37 5.863 8.206 -7.236 303 HA GLU 37 HA GLU 37 5.328 6.049 -9.206 304 1HB GLU 37 HB2 GLU 37 7.030 7.145 -10.750 305 2HB GLU 37 HB1 GLU 37 5.463 7.947 -10.645 306 1HG GLU 37 HG2 GLU 37 6.298 9.686 -9.308 307 2HG GLU 37 HG1 GLU 37 7.712 8.754 -8.814 308 H ASP 38 HN ASP 38 6.897 6.847 -6.476 309 HA ASP 38 HA ASP 38 8.766 4.680 -6.658 310 1HB ASP 38 HB2 ASP 38 10.073 6.117 -8.113 311 2HB ASP 38 HB1 ASP 38 9.916 7.466 -6.991 312 H GLY 39 HN GLY 39 9.821 4.323 -4.623 313 1HA GLY 39 HA2 GLY 39 8.452 5.169 -2.316 314 2HA GLY 39 HA1 GLY 39 10.103 4.546 -2.298 315 H VAL 40 HN VAL 40 11.040 6.732 -4.097 316 HA VAL 40 HA VAL 40 11.692 8.655 -2.028 317 HB VAL 40 HB VAL 40 12.174 8.609 -5.016 318 1HG1 VAL 40 HG11 VAL 40 12.639 10.735 -2.969 319 2HG1 VAL 40 HG13 VAL 40 13.897 10.470 -4.176 320 3HG1 VAL 40 HG12 VAL 40 12.262 10.893 -4.684 321 1HG2 VAL 40 HG21 VAL 40 13.367 7.127 -3.120 322 2HG2 VAL 40 HG23 VAL 40 14.257 7.765 -4.501 323 3HG2 VAL 40 HG22 VAL 40 14.324 8.597 -2.948 324 H ASP 41 HN ASP 41 9.491 8.594 -4.804 325 HA ASP 41 HA ASP 41 8.644 11.349 -4.512 326 1HB ASP 41 HB2 ASP 41 8.373 9.733 -6.542 327 2HB ASP 41 HB1 ASP 41 6.946 9.158 -5.689 328 H ALA 42 HN ALA 42 7.388 8.206 -3.465 329 HA ALA 42 HA ALA 42 5.061 9.228 -2.131 330 1HB ALA 42 HB1 ALA 42 6.239 6.693 -2.588 331 2HB ALA 42 HB3 ALA 42 6.106 6.865 -0.838 332 3HB ALA 42 HB2 ALA 42 4.672 7.025 -1.850 333 H LEU 43 HN LEU 43 8.133 8.022 -0.732 334 HA LEU 43 HA LEU 43 7.786 8.796 1.905 335 1HB LEU 43 HB2 LEU 43 9.804 7.627 0.997 336 2HB LEU 43 HB1 LEU 43 10.347 9.161 0.322 337 HG LEU 43 HG LEU 43 10.355 10.143 2.609 338 1HD1 LEU 43 HD12 LEU 43 9.283 7.428 3.256 339 2HD1 LEU 43 HD11 LEU 43 10.380 8.176 4.416 340 3HD1 LEU 43 HD13 LEU 43 8.883 8.992 3.966 341 1HD2 LEU 43 HD21 LEU 43 11.963 7.614 2.166 342 2HD2 LEU 43 HD23 LEU 43 12.441 9.265 1.774 343 3HD2 LEU 43 HD22 LEU 43 12.297 8.766 3.459 344 H ASN 44 HN ASN 44 8.536 10.868 -0.856 345 HA ASN 44 HA ASN 44 8.936 13.226 0.839 346 1HB ASN 44 HB2 ASN 44 9.006 12.629 -2.083 347 2HB ASN 44 HB1 ASN 44 8.662 14.293 -1.606 348 1HD2 ASN 44 HD22 ASN 44 12.327 12.695 -0.614 349 2HD2 ASN 44 HD21 ASN 44 11.005 11.653 -0.837 350 H LYS 45 HN LYS 45 6.375 11.912 -1.227 351 HA LYS 45 HA LYS 45 4.619 14.205 -0.650 352 1HB LYS 45 HB2 LYS 45 4.196 11.624 -2.186 353 2HB LYS 45 HB1 LYS 45 2.945 12.851 -1.980 354 1HG LYS 45 HG2 LYS 45 5.625 13.725 -2.986 355 2HG LYS 45 HG1 LYS 45 4.549 12.882 -4.101 356 1HD LYS 45 HD2 LYS 45 2.962 14.568 -4.067 357 2HD LYS 45 HD1 LYS 45 3.410 15.101 -2.447 358 1HE LYS 45 HE2 LYS 45 5.502 16.054 -3.319 359 2HE LYS 45 HE1 LYS 45 5.092 15.492 -4.941 360 1HZ LYS 45 HZ1 LYS 45 2.931 16.827 -4.517 361 2HZ LYS 45 HZ3 LYS 45 3.861 17.637 -3.352 362 3HZ LYS 45 HZ2 LYS 45 4.346 17.647 -4.980 363 H LEU 46 HN LEU 46 5.570 11.540 1.041 364 HA LEU 46 HA LEU 46 3.055 10.588 2.097 365 1HB LEU 46 HB2 LEU 46 5.825 9.965 2.365 366 2HB LEU 46 HB1 LEU 46 5.211 10.277 3.982 367 HG LEU 46 HG LEU 46 4.998 7.886 3.358 368 1HD1 LEU 46 HD11 LEU 46 3.179 9.371 4.667 369 2HD1 LEU 46 HD13 LEU 46 2.178 8.812 3.330 370 3HD1 LEU 46 HD12 LEU 46 2.972 7.645 4.383 371 1HD2 LEU 46 HD22 LEU 46 4.177 8.945 0.872 372 2HD2 LEU 46 HD21 LEU 46 4.254 7.245 1.331 373 3HD2 LEU 46 HD23 LEU 46 2.759 8.152 1.556 374 H GLN 47 HN GLN 47 4.760 13.480 2.516 375 HA GLN 47 HA GLN 47 3.591 13.956 5.220 376 1HB GLN 47 HB2 GLN 47 5.065 15.923 5.293 377 2HB GLN 47 HB1 GLN 47 5.999 14.472 4.926 378 1HG GLN 47 HG2 GLN 47 5.208 15.353 2.420 379 2HG GLN 47 HG1 GLN 47 5.545 16.854 3.284 380 1HE2 GLN 47 HE22 GLN 47 8.665 14.169 3.127 381 2HE2 GLN 47 HE21 GLN 47 7.094 13.593 3.415 382 H ALA 48 HN ALA 48 2.918 14.450 1.966 383 HA ALA 48 HA ALA 48 1.956 17.025 1.679 384 1HB ALA 48 HB1 ALA 48 1.829 15.026 0.039 385 2HB ALA 48 HB3 ALA 48 0.281 14.675 0.808 386 3HB ALA 48 HB2 ALA 48 0.528 16.214 -0.017 387 H GLY 49 HN GLY 49 0.048 14.288 2.996 388 1HA GLY 49 HA2 GLY 49 -1.360 16.228 4.756 389 2HA GLY 49 HA1 GLY 49 -2.334 15.216 3.689 390 H GLY 50 HN GLY 50 0.421 13.529 4.576 391 1HA GLY 50 HA2 GLY 50 0.835 11.850 6.173 392 2HA GLY 50 HA1 GLY 50 -0.408 12.585 7.188 393 OH TYR 51 OH TYR 51 -1.141 12.038 -1.077 394 H TYR 51 HN TYR 51 0.180 10.258 4.623 395 HA TYR 51 HA TYR 51 -2.611 9.543 4.292 396 1HB TYR 51 HB2 TYR 51 -0.038 8.148 3.517 397 2HB TYR 51 HB1 TYR 51 -1.637 7.566 3.079 398 HD1 TYR 51 HD1 TYR 51 0.560 10.564 2.874 399 HD2 TYR 51 HD2 TYR 51 -2.726 8.395 1.164 400 HE1 TYR 51 HE1 TYR 51 0.520 12.138 0.964 401 HE2 TYR 51 HE2 TYR 51 -2.767 9.967 -0.751 402 HH TYR 51 HH TYR 51 -0.538 11.707 -1.746 403 H GLY 52 HN GLY 52 -3.580 7.580 4.993 404 1HA GLY 52 HA2 GLY 52 -2.380 6.465 7.492 405 2HA GLY 52 HA1 GLY 52 -4.099 6.456 7.115 406 H PHE 53 HN PHE 53 -2.407 5.899 4.324 407 HA PHE 53 HA PHE 53 -1.899 3.043 4.617 408 1HB PHE 53 HB2 PHE 53 -4.533 3.789 4.205 409 2HB PHE 53 HB1 PHE 53 -3.950 3.440 2.588 410 HD1 PHE 53 HD2 PHE 53 -4.440 2.057 5.972 411 HD2 PHE 53 HD1 PHE 53 -3.392 1.198 1.913 412 HE1 PHE 53 HE2 PHE 53 -4.746 -0.346 6.400 413 HE2 PHE 53 HE1 PHE 53 -3.732 -1.196 2.317 414 HZ PHE 53 HZ PHE 53 -4.389 -1.997 4.578 415 H VAL 54 HN VAL 54 -0.624 2.347 2.876 416 HA VAL 54 HA VAL 54 -0.464 4.140 0.493 417 HB VAL 54 HB VAL 54 1.843 3.218 2.202 418 1HG1 VAL 54 HG12 VAL 54 1.708 3.955 -0.677 419 2HG1 VAL 54 HG11 VAL 54 3.067 4.587 0.253 420 3HG1 VAL 54 HG13 VAL 54 2.804 2.846 0.148 421 1HG2 VAL 54 HG23 VAL 54 0.400 5.664 2.026 422 2HG2 VAL 54 HG22 VAL 54 1.845 5.330 2.971 423 3HG2 VAL 54 HG21 VAL 54 1.991 5.940 1.324 424 H ILE 55 HN ILE 55 -1.110 2.792 -1.095 425 HA ILE 55 HA ILE 55 -0.364 -0.083 -1.018 426 HB ILE 55 HB ILE 55 -1.953 1.413 -3.133 427 1HG1 ILE 55 HG12 ILE 55 -2.975 -0.073 -0.691 428 2HG1 ILE 55 HG11 ILE 55 -2.969 1.681 -0.871 429 1HG2 ILE 55 HG21 ILE 55 -1.031 -0.847 -3.694 430 2HG2 ILE 55 HG23 ILE 55 -1.919 -1.504 -2.319 431 3HG2 ILE 55 HG22 ILE 55 -2.795 -0.802 -3.679 432 1HD1 ILE 55 HD11 ILE 55 -4.373 1.440 -2.921 433 2HD1 ILE 55 HD13 ILE 55 -4.445 -0.299 -2.633 434 3HD1 ILE 55 HD12 ILE 55 -5.174 0.817 -1.478 435 H SER 56 HN SER 56 1.934 0.098 -1.473 436 HA SER 56 HA SER 56 2.671 1.391 -4.050 437 1HB SER 56 HB2 SER 56 4.500 1.999 -2.886 438 2HB SER 56 HB1 SER 56 4.020 0.998 -1.527 439 HG SER 56 HG SER 56 6.051 0.569 -2.970 440 H ASP 57 HN ASP 57 4.216 0.125 -5.461 441 HA ASP 57 HA ASP 57 3.172 -2.625 -5.726 442 1HB ASP 57 HB2 ASP 57 3.246 -1.183 -7.722 443 2HB ASP 57 HB1 ASP 57 4.993 -1.023 -7.548 444 CH2 TRP 58 CH2 TRP 58 9.930 -6.375 -1.420 445 H TRP 58 HN TRP 58 6.389 -1.904 -6.853 446 HA TRP 58 HA TRP 58 7.770 -3.065 -4.574 447 1HB TRP 58 HB2 TRP 58 6.612 -5.042 -5.680 448 2HB TRP 58 HB1 TRP 58 7.627 -4.748 -7.089 449 HD1 TRP 58 HD1 TRP 58 9.750 -6.113 -7.115 450 HE1 TRP 58 HE1 TRP 58 11.277 -7.208 -5.349 451 HE3 TRP 58 HE3 TRP 58 7.394 -4.596 -2.842 452 HZ2 TRP 58 HZ2 TRP 58 11.471 -7.415 -2.501 453 HZ3 TRP 58 HZ3 TRP 58 8.279 -5.256 -0.623 454 HH2 TRP 58 HH2 TRP 58 10.308 -6.657 -0.450 455 H ASN 59 HN ASN 59 9.406 -4.258 -7.131 456 HA ASN 59 HA ASN 59 11.030 -1.769 -7.398 457 1HB ASN 59 HB2 ASN 59 11.969 -4.092 -6.621 458 2HB ASN 59 HB1 ASN 59 11.920 -4.478 -8.341 459 1HD2 ASN 59 HD22 ASN 59 15.241 -2.908 -7.547 460 2HD2 ASN 59 HD21 ASN 59 14.415 -4.272 -6.965 461 H MET 60 HN MET 60 8.780 -1.614 -8.913 462 HA MET 60 HA MET 60 9.427 -2.636 -11.610 463 1HB MET 60 HB2 MET 60 7.006 -2.006 -10.233 464 2HB MET 60 HB1 MET 60 7.113 -0.976 -11.663 465 1HG MET 60 HG2 MET 60 7.575 -2.975 -13.051 466 2HG MET 60 HG1 MET 60 7.416 -3.993 -11.620 467 1HE MET 60 HE2 MET 60 5.971 -4.720 -13.971 468 2HE MET 60 HE1 MET 60 4.298 -4.219 -14.199 469 3HE MET 60 HE3 MET 60 5.620 -3.153 -14.695 470 HA PRO 61 HA PRO 61 9.383 2.129 -12.365 471 1HB PRO 61 HB2 PRO 61 10.033 3.469 -9.904 472 2HB PRO 61 HB1 PRO 61 8.561 3.628 -10.870 473 1HG PRO 61 HG2 PRO 61 8.816 2.359 -8.320 474 2HG PRO 61 HG1 PRO 61 7.378 2.418 -9.347 475 1HD PRO 61 HD2 PRO 61 9.153 0.177 -8.833 476 2HD PRO 61 HD1 PRO 61 7.608 0.187 -9.703 477 H ASN 62 HN ASN 62 11.382 2.013 -9.410 478 HA ASN 62 HA ASN 62 13.807 1.445 -10.978 479 1HB ASN 62 HB2 ASN 62 14.948 3.512 -10.081 480 2HB ASN 62 HB1 ASN 62 13.692 3.845 -11.276 481 1HD2 ASN 62 HD22 ASN 62 11.518 5.435 -8.946 482 2HD2 ASN 62 HD21 ASN 62 11.623 4.718 -10.481 483 H MET 63 HN MET 63 12.919 2.866 -7.808 484 HA MET 63 HA MET 63 14.824 1.039 -6.484 485 1HB MET 63 HB2 MET 63 13.989 3.616 -5.933 486 2HB MET 63 HB1 MET 63 13.072 2.659 -4.770 487 1HG MET 63 HG2 MET 63 15.166 1.563 -4.031 488 2HG MET 63 HG1 MET 63 16.074 2.544 -5.179 489 1HE MET 63 HE1 MET 63 13.892 2.250 -2.219 490 2HE MET 63 HE3 MET 63 14.057 3.737 -1.278 491 3HE MET 63 HE2 MET 63 12.986 3.690 -2.675 492 H ASP 64 HN ASP 64 13.842 0.082 -4.304 493 HA ASP 64 HA ASP 64 11.355 -1.379 -5.093 494 1HB ASP 64 HB2 ASP 64 12.563 -2.532 -2.791 495 2HB ASP 64 HB1 ASP 64 12.483 -3.204 -4.420 496 H GLY 65 HN GLY 65 9.570 -1.370 -3.701 497 1HA GLY 65 HA2 GLY 65 9.370 0.846 -1.859 498 2HA GLY 65 HA1 GLY 65 8.143 -0.394 -2.090 499 H LEU 66 HN LEU 66 11.248 -1.662 -1.415 500 HA LEU 66 HA LEU 66 10.327 -2.679 1.158 501 1HB LEU 66 HB2 LEU 66 12.224 -3.501 -0.699 502 2HB LEU 66 HB1 LEU 66 13.209 -2.899 0.632 503 HG LEU 66 HG LEU 66 10.945 -4.893 0.938 504 1HD1 LEU 66 HD13 LEU 66 13.931 -5.230 0.676 505 2HD1 LEU 66 HD12 LEU 66 12.919 -6.448 1.452 506 3HD1 LEU 66 HD11 LEU 66 12.657 -6.032 -0.241 507 1HD2 LEU 66 HD22 LEU 66 12.985 -3.693 2.821 508 2HD2 LEU 66 HD21 LEU 66 11.233 -3.758 3.011 509 3HD2 LEU 66 HD23 LEU 66 12.193 -5.227 3.174 510 H GLU 67 HN GLU 67 13.107 -0.638 0.194 511 HA GLU 67 HA GLU 67 13.715 0.228 2.855 512 1HB GLU 67 HB2 GLU 67 15.015 0.482 0.532 513 2HB GLU 67 HB1 GLU 67 14.199 2.046 0.523 514 1HG GLU 67 HG2 GLU 67 16.136 2.589 1.684 515 2HG GLU 67 HG1 GLU 67 15.071 2.155 3.021 516 H LEU 68 HN LEU 68 11.132 0.902 0.773 517 HA LEU 68 HA LEU 68 10.540 3.604 1.691 518 1HB LEU 68 HB2 LEU 68 9.785 2.717 -0.516 519 2HB LEU 68 HB1 LEU 68 8.759 1.563 0.324 520 HG LEU 68 HG LEU 68 7.545 3.447 1.400 521 1HD1 LEU 68 HD13 LEU 68 9.661 4.975 -0.027 522 2HD1 LEU 68 HD12 LEU 68 8.041 5.668 -0.058 523 3HD1 LEU 68 HD11 LEU 68 8.829 5.342 1.484 524 1HD2 LEU 68 HD22 LEU 68 7.703 3.077 -1.566 525 2HD2 LEU 68 HD21 LEU 68 6.374 2.722 -0.463 526 3HD2 LEU 68 HD23 LEU 68 6.699 4.387 -0.944 527 H LEU 69 HN LEU 69 9.328 0.330 2.427 528 HA LEU 69 HA LEU 69 7.527 1.368 4.489 529 1HB LEU 69 HB2 LEU 69 6.530 -0.639 4.286 530 2HB LEU 69 HB1 LEU 69 7.630 -0.940 2.955 531 HG LEU 69 HG LEU 69 9.284 -1.864 4.685 532 1HD1 LEU 69 HD11 LEU 69 7.083 -1.087 6.458 533 2HD1 LEU 69 HD13 LEU 69 7.452 -2.807 6.604 534 3HD1 LEU 69 HD12 LEU 69 8.710 -1.609 6.873 535 1HD2 LEU 69 HD21 LEU 69 6.880 -3.053 3.540 536 2HD2 LEU 69 HD23 LEU 69 8.502 -3.727 3.686 537 3HD2 LEU 69 HD22 LEU 69 7.366 -3.872 5.024 538 H LYS 70 HN LYS 70 10.757 0.054 4.298 539 HA LYS 70 HA LYS 70 11.082 -0.552 7.091 540 1HB LYS 70 HB2 LYS 70 12.601 -1.186 5.073 541 2HB LYS 70 HB1 LYS 70 13.322 0.406 5.312 542 1HG LYS 70 HG2 LYS 70 13.815 -0.166 7.662 543 2HG LYS 70 HG1 LYS 70 13.099 -1.760 7.424 544 1HD LYS 70 HD2 LYS 70 14.784 -2.350 5.794 545 2HD LYS 70 HD1 LYS 70 15.429 -0.708 5.797 546 1HE LYS 70 HE2 LYS 70 16.127 -0.941 8.123 547 2HE LYS 70 HE1 LYS 70 15.387 -2.539 8.214 548 1HZ LYS 70 HZ2 LYS 70 17.604 -1.773 6.392 549 2HZ LYS 70 HZ1 LYS 70 17.774 -2.668 7.825 550 3HZ LYS 70 HZ3 LYS 70 16.906 -3.317 6.520 551 H THR 71 HN THR 71 11.654 2.367 5.143 552 HA THR 71 HA THR 71 12.718 3.908 7.352 553 HB THR 71 HB THR 71 11.339 5.120 4.961 554 HG1 THR 71 HG1 THR 71 14.027 4.332 4.888 555 1HG2 THR 71 HG23 THR 71 13.822 5.838 6.545 556 2HG2 THR 71 HG22 THR 71 13.151 6.774 5.209 557 3HG2 THR 71 HG21 THR 71 12.242 6.604 6.710 558 H ILE 72 HN ILE 72 9.498 3.508 5.907 559 HA ILE 72 HA ILE 72 8.182 5.505 7.484 560 HB ILE 72 HB ILE 72 7.172 2.977 6.156 561 1HG1 ILE 72 HG12 ILE 72 6.677 5.885 5.463 562 2HG1 ILE 72 HG11 ILE 72 8.013 4.956 4.780 563 1HG2 ILE 72 HG22 ILE 72 5.764 5.036 7.831 564 2HG2 ILE 72 HG21 ILE 72 4.910 4.268 6.494 565 3HG2 ILE 72 HG23 ILE 72 5.551 3.286 7.811 566 1HD1 ILE 72 HD12 ILE 72 5.141 4.013 4.632 567 2HD1 ILE 72 HD11 ILE 72 5.873 5.017 3.381 568 3HD1 ILE 72 HD13 ILE 72 6.526 3.413 3.719 569 NH1 ARG 73 NH1 ARG 73 8.063 -2.521 13.615 570 NH2 ARG 73 NH2 ARG 73 6.276 -3.848 13.222 571 H ARG 73 HN ARG 73 9.113 2.177 8.117 572 HA ARG 73 HA ARG 73 7.589 2.122 10.647 573 1HB ARG 73 HB2 ARG 73 7.822 0.095 9.158 574 2HB ARG 73 HB1 ARG 73 9.536 0.067 9.569 575 1HG ARG 73 HG2 ARG 73 8.947 -0.113 11.969 576 2HG ARG 73 HG1 ARG 73 7.237 -0.132 11.536 577 1HD ARG 73 HD2 ARG 73 8.330 -2.092 9.902 578 2HD ARG 73 HD1 ARG 73 9.204 -2.294 11.420 579 HE ARG 73 HE ARG 73 6.302 -2.683 11.029 580 1HH1 ARG 73 HH11 ARG 73 8.734 -1.854 13.292 581 2HH1 ARG 73 HH12 ARG 73 8.091 -2.840 14.562 582 1HH2 ARG 73 HH21 ARG 73 5.577 -4.197 12.597 583 2HH2 ARG 73 HH22 ARG 73 6.304 -4.166 14.170 584 H ALA 74 HN ALA 74 10.892 2.528 9.505 585 HA ALA 74 HA ALA 74 12.396 2.074 11.802 586 1HB ALA 74 HB2 ALA 74 13.175 2.942 9.505 587 2HB ALA 74 HB1 ALA 74 12.803 4.551 10.124 588 3HB ALA 74 HB3 ALA 74 14.024 3.559 10.923 589 H ASP 75 HN ASP 75 10.153 4.697 11.171 590 HA ASP 75 HA ASP 75 11.001 6.310 13.437 591 1HB ASP 75 HB2 ASP 75 9.046 6.484 11.299 592 2HB ASP 75 HB1 ASP 75 8.332 6.949 12.843 593 H GLY 76 HN GLY 76 9.873 6.532 15.446 594 1HA GLY 76 HA2 GLY 76 8.503 4.042 16.283 595 2HA GLY 76 HA1 GLY 76 9.129 5.287 17.364 596 H ALA 77 HN ALA 77 7.844 7.417 15.660 597 HA ALA 77 HA ALA 77 5.178 7.247 16.931 598 1HB ALA 77 HB1 ALA 77 6.697 9.322 17.003 599 2HB ALA 77 HB3 ALA 77 6.260 9.557 15.311 600 3HB ALA 77 HB2 ALA 77 5.012 9.590 16.557 601 H MET 78 HN MET 78 6.671 7.203 13.752 602 HA MET 78 HA MET 78 4.043 7.359 12.411 603 1HB MET 78 HB2 MET 78 6.730 6.798 11.137 604 2HB MET 78 HB1 MET 78 5.273 7.411 10.355 605 1HG MET 78 HG2 MET 78 5.437 9.429 11.896 606 2HG MET 78 HG1 MET 78 7.038 8.845 12.352 607 1HE MET 78 HE2 MET 78 5.649 11.480 10.732 608 2HE MET 78 HE1 MET 78 7.270 11.572 11.417 609 3HE MET 78 HE3 MET 78 7.000 11.973 9.715 610 H SER 79 HN SER 79 5.510 5.020 14.090 611 HA SER 79 HA SER 79 5.407 2.790 12.232 612 1HB SER 79 HB2 SER 79 6.176 1.531 13.992 613 2HB SER 79 HB1 SER 79 6.569 3.117 14.649 614 HG SER 79 HG SER 79 4.350 1.451 15.191 615 H ALA 80 HN ALA 80 3.003 4.424 12.280 616 HA ALA 80 HA ALA 80 1.041 2.305 13.027 617 1HB ALA 80 HB1 ALA 80 0.838 5.271 13.624 618 2HB ALA 80 HB3 ALA 80 -0.519 4.150 13.747 619 3HB ALA 80 HB2 ALA 80 0.885 3.954 14.796 620 H LEU 81 HN LEU 81 2.364 3.414 10.489 621 HA LEU 81 HA LEU 81 -0.119 4.203 9.043 622 1HB LEU 81 HB2 LEU 81 2.258 5.516 9.070 623 2HB LEU 81 HB1 LEU 81 2.470 4.492 7.653 624 HG LEU 81 HG LEU 81 0.078 6.301 8.135 625 1HD1 LEU 81 HD11 LEU 81 2.702 6.698 6.808 626 2HD1 LEU 81 HD13 LEU 81 1.285 7.284 5.937 627 3HD1 LEU 81 HD12 LEU 81 1.628 7.876 7.562 628 1HD2 LEU 81 HD23 LEU 81 0.936 4.550 5.809 629 2HD2 LEU 81 HD22 LEU 81 -0.541 4.409 6.760 630 3HD2 LEU 81 HD21 LEU 81 -0.316 5.786 5.685 631 HA PRO 82 HA PRO 82 0.550 -0.168 7.774 632 1HB PRO 82 HB2 PRO 82 -1.990 -0.035 6.408 633 2HB PRO 82 HB1 PRO 82 -1.561 -0.970 7.833 634 1HG PRO 82 HG2 PRO 82 -3.213 1.342 7.748 635 2HG PRO 82 HG1 PRO 82 -2.651 0.494 9.187 636 1HD PRO 82 HD2 PRO 82 -1.814 3.065 8.180 637 2HD PRO 82 HD1 PRO 82 -1.338 2.272 9.691 638 H VAL 83 HN VAL 83 1.861 -0.516 6.109 639 HA VAL 83 HA VAL 83 1.295 0.767 3.464 640 HB VAL 83 HB VAL 83 3.805 0.008 4.863 641 1HG1 VAL 83 HG11 VAL 83 3.340 -0.717 1.938 642 2HG1 VAL 83 HG13 VAL 83 4.941 -0.385 2.582 643 3HG1 VAL 83 HG12 VAL 83 4.021 -1.740 3.207 644 1HG2 VAL 83 HG21 VAL 83 2.955 2.303 3.987 645 2HG2 VAL 83 HG23 VAL 83 4.652 1.882 3.772 646 3HG2 VAL 83 HG22 VAL 83 3.536 1.718 2.422 647 H LEU 84 HN LEU 84 0.240 -0.623 2.104 648 HA LEU 84 HA LEU 84 0.580 -3.518 2.634 649 1HB LEU 84 HB2 LEU 84 -1.719 -2.269 2.235 650 2HB LEU 84 HB1 LEU 84 -1.290 -2.460 0.553 651 HG LEU 84 HG LEU 84 -2.551 -4.377 0.962 652 1HD1 LEU 84 HD13 LEU 84 -0.219 -4.931 0.080 653 2HD1 LEU 84 HD12 LEU 84 0.157 -5.494 1.701 654 3HD1 LEU 84 HD11 LEU 84 -1.125 -6.258 0.780 655 1HD2 LEU 84 HD22 LEU 84 -2.182 -3.932 3.635 656 2HD2 LEU 84 HD21 LEU 84 -2.889 -5.401 2.976 657 3HD2 LEU 84 HD23 LEU 84 -1.182 -5.365 3.395 658 H MET 85 HN MET 85 2.312 -4.297 1.590 659 HA MET 85 HA MET 85 3.230 -3.026 -0.866 660 1HB MET 85 HB2 MET 85 4.687 -4.025 1.005 661 2HB MET 85 HB1 MET 85 4.276 -5.602 0.332 662 1HG MET 85 HG2 MET 85 5.985 -5.321 -1.111 663 2HG MET 85 HG1 MET 85 5.026 -4.065 -1.891 664 1HE MET 85 HE2 MET 85 5.052 -1.685 -1.419 665 2HE MET 85 HE1 MET 85 4.834 -1.783 0.327 666 3HE MET 85 HE3 MET 85 6.138 -0.798 -0.353 667 H VAL 86 HN VAL 86 1.863 -3.518 -2.648 668 HA VAL 86 HA VAL 86 0.990 -6.329 -2.996 669 HB VAL 86 HB VAL 86 -0.740 -5.552 -4.264 670 1HG1 VAL 86 HG11 VAL 86 -0.700 -4.297 -2.062 671 2HG1 VAL 86 HG13 VAL 86 -0.085 -2.919 -2.965 672 3HG1 VAL 86 HG12 VAL 86 -1.677 -3.579 -3.332 673 1HG2 VAL 86 HG23 VAL 86 1.102 -3.368 -5.174 674 2HG2 VAL 86 HG22 VAL 86 0.426 -4.676 -6.139 675 3HG2 VAL 86 HG21 VAL 86 -0.611 -3.373 -5.565 676 H THR 87 HN THR 87 1.539 -7.528 -4.850 677 HA THR 87 HA THR 87 3.374 -6.274 -6.808 678 HB THR 87 HB THR 87 5.021 -6.966 -5.251 679 HG1 THR 87 HG1 THR 87 4.543 -8.703 -7.373 680 1HG2 THR 87 HG22 THR 87 3.404 -9.512 -4.975 681 2HG2 THR 87 HG21 THR 87 4.982 -9.247 -4.232 682 3HG2 THR 87 HG23 THR 87 3.606 -8.253 -3.757 683 H ALA 88 HN ALA 88 3.672 -7.610 -8.719 684 HA ALA 88 HA ALA 88 1.356 -9.372 -9.197 685 1HB ALA 88 HB2 ALA 88 2.879 -7.611 -10.790 686 2HB ALA 88 HB1 ALA 88 3.223 -9.229 -11.403 687 3HB ALA 88 HB3 ALA 88 1.558 -8.651 -11.323 688 H GLU 89 HN GLU 89 4.914 -9.571 -9.478 689 HA GLU 89 HA GLU 89 4.712 -12.523 -9.639 690 1HB GLU 89 HB2 GLU 89 7.195 -10.783 -9.698 691 2HB GLU 89 HB1 GLU 89 7.074 -12.475 -10.178 692 1HG GLU 89 HG2 GLU 89 5.582 -11.883 -12.020 693 2HG GLU 89 HG1 GLU 89 5.581 -10.195 -11.510 694 H ALA 90 HN ALA 90 3.787 -11.978 -7.247 695 HA ALA 90 HA ALA 90 5.520 -11.373 -5.115 696 1HB ALA 90 HB2 ALA 90 2.938 -11.924 -5.191 697 2HB ALA 90 HB1 ALA 90 3.484 -13.545 -4.769 698 3HB ALA 90 HB3 ALA 90 3.867 -12.184 -3.718 699 H LYS 91 HN LYS 91 7.584 -12.341 -5.648 700 HA LYS 91 HA LYS 91 7.882 -15.208 -5.945 701 1HB LYS 91 HB2 LYS 91 9.512 -13.141 -6.504 702 2HB LYS 91 HB1 LYS 91 10.153 -13.571 -4.918 703 1HG LYS 91 HG2 LYS 91 10.207 -15.992 -5.778 704 2HG LYS 91 HG1 LYS 91 9.965 -15.304 -7.385 705 1HD LYS 91 HD2 LYS 91 11.968 -13.757 -6.775 706 2HD LYS 91 HD1 LYS 91 12.304 -14.949 -5.518 707 1HE LYS 91 HE2 LYS 91 12.034 -15.556 -8.477 708 2HE LYS 91 HE1 LYS 91 13.554 -15.457 -7.591 709 1HZ LYS 91 HZ2 LYS 91 12.422 -17.187 -6.061 710 2HZ LYS 91 HZ1 LYS 91 11.429 -17.479 -7.408 711 3HZ LYS 91 HZ3 LYS 91 13.107 -17.693 -7.531 712 H LYS 92 HN LYS 92 8.302 -16.738 -4.356 713 HA LYS 92 HA LYS 92 7.337 -16.544 -1.784 714 1HB LYS 92 HB2 LYS 92 8.285 -18.609 -2.938 715 2HB LYS 92 HB1 LYS 92 9.876 -18.068 -2.401 716 1HG LYS 92 HG2 LYS 92 9.314 -19.403 -0.603 717 2HG LYS 92 HG1 LYS 92 8.610 -17.882 -0.056 718 1HD LYS 92 HD2 LYS 92 6.802 -19.309 0.230 719 2HD LYS 92 HD1 LYS 92 6.505 -18.739 -1.412 720 1HE LYS 92 HE2 LYS 92 6.341 -21.014 -1.773 721 2HE LYS 92 HE1 LYS 92 8.074 -20.807 -2.024 722 1HZ LYS 92 HZ3 LYS 92 8.374 -21.322 0.365 723 2HZ LYS 92 HZ2 LYS 92 6.719 -21.691 0.463 724 3HZ LYS 92 HZ1 LYS 92 7.742 -22.615 -0.532 725 H GLU 93 HN GLU 93 10.392 -15.277 -2.942 726 HA GLU 93 HA GLU 93 11.314 -14.684 -0.238 727 1HB GLU 93 HB2 GLU 93 12.849 -15.356 -2.156 728 2HB GLU 93 HB1 GLU 93 12.553 -13.751 -2.828 729 1HG GLU 93 HG2 GLU 93 14.500 -13.419 -1.560 730 2HG GLU 93 HG1 GLU 93 13.228 -12.901 -0.453 731 H ASN 94 HN ASN 94 9.767 -13.044 -2.923 732 HA ASN 94 HA ASN 94 10.278 -10.361 -2.013 733 1HB ASN 94 HB2 ASN 94 9.110 -11.502 -4.257 734 2HB ASN 94 HB1 ASN 94 7.763 -10.692 -3.459 735 1HD2 ASN 94 HD22 ASN 94 8.822 -7.662 -4.908 736 2HD2 ASN 94 HD21 ASN 94 7.555 -8.762 -4.649 737 H ILE 95 HN ILE 95 7.842 -12.758 -1.151 738 HA ILE 95 HA ILE 95 6.034 -10.889 0.115 739 HB ILE 95 HB ILE 95 6.486 -13.865 0.474 740 1HG1 ILE 95 HG12 ILE 95 4.051 -13.826 -0.375 741 2HG1 ILE 95 HG11 ILE 95 4.330 -12.137 -0.779 742 1HG2 ILE 95 HG23 ILE 95 4.774 -11.953 2.031 743 2HG2 ILE 95 HG22 ILE 95 4.235 -13.613 1.784 744 3HG2 ILE 95 HG21 ILE 95 5.757 -13.295 2.616 745 1HD1 ILE 95 HD12 ILE 95 6.269 -14.211 -1.748 746 2HD1 ILE 95 HD11 ILE 95 4.738 -14.001 -2.582 747 3HD1 ILE 95 HD13 ILE 95 5.859 -12.648 -2.453 748 H ILE 96 HN ILE 96 8.386 -13.172 1.549 749 HA ILE 96 HA ILE 96 8.259 -12.004 4.156 750 HB ILE 96 HB ILE 96 10.489 -13.582 2.833 751 1HG1 ILE 96 HG12 ILE 96 8.430 -14.536 4.834 752 2HG1 ILE 96 HG11 ILE 96 8.151 -14.620 3.094 753 1HG2 ILE 96 HG22 ILE 96 10.162 -12.384 5.524 754 2HG2 ILE 96 HG21 ILE 96 10.692 -14.065 5.503 755 3HG2 ILE 96 HG23 ILE 96 11.633 -12.834 4.663 756 1HD1 ILE 96 HD11 ILE 96 10.265 -15.919 2.852 757 2HD1 ILE 96 HD13 ILE 96 10.444 -15.905 4.606 758 3HD1 ILE 96 HD12 ILE 96 9.080 -16.744 3.865 759 H ALA 97 HN ALA 97 9.836 -10.997 1.246 760 HA ALA 97 HA ALA 97 11.986 -9.491 2.373 761 1HB ALA 97 HB2 ALA 97 10.386 -8.960 -0.144 762 2HB ALA 97 HB1 ALA 97 11.925 -8.202 0.255 763 3HB ALA 97 HB3 ALA 97 11.846 -9.938 -0.037 764 H ALA 98 HN ALA 98 9.004 -8.048 1.017 765 HA ALA 98 HA ALA 98 9.220 -5.575 2.344 766 1HB ALA 98 HB1 ALA 98 7.251 -6.818 0.794 767 2HB ALA 98 HB3 ALA 98 6.462 -6.520 2.342 768 3HB ALA 98 HB2 ALA 98 7.179 -5.180 1.448 769 H ALA 99 HN ALA 99 7.687 -8.584 3.435 770 HA ALA 99 HA ALA 99 6.830 -7.532 5.925 771 1HB ALA 99 HB3 ALA 99 6.653 -9.997 4.571 772 2HB ALA 99 HB2 ALA 99 7.464 -10.354 6.096 773 3HB ALA 99 HB1 ALA 99 5.885 -9.570 6.099 774 H GLN 100 HN GLN 100 9.952 -8.685 4.792 775 HA GLN 100 HA GLN 100 11.175 -9.401 7.246 776 1HB GLN 100 HB2 GLN 100 12.134 -9.060 4.694 777 2HB GLN 100 HB1 GLN 100 12.817 -7.650 5.499 778 1HG GLN 100 HG2 GLN 100 13.795 -9.089 7.231 779 2HG GLN 100 HG1 GLN 100 13.077 -10.511 6.473 780 1HE2 GLN 100 HE22 GLN 100 16.032 -10.884 4.592 781 2HE2 GLN 100 HE21 GLN 100 14.918 -11.590 5.661 782 H ALA 101 HN ALA 101 10.218 -6.371 5.880 783 HA ALA 101 HA ALA 101 11.366 -4.809 8.122 784 1HB ALA 101 HB3 ALA 101 11.301 -3.995 5.676 785 2HB ALA 101 HB2 ALA 101 9.565 -3.823 5.901 786 3HB ALA 101 HB1 ALA 101 10.675 -2.871 6.882 787 H GLY 102 HN GLY 102 8.529 -6.377 7.029 788 1HA GLY 102 HA2 GLY 102 6.490 -6.797 8.055 789 2HA GLY 102 HA1 GLY 102 7.201 -6.149 9.518 790 H ALA 103 HN ALA 103 5.644 -5.103 6.437 791 HA ALA 103 HA ALA 103 5.127 -2.469 7.707 792 1HB ALA 103 HB1 ALA 103 4.450 -3.727 5.042 793 2HB ALA 103 HB3 ALA 103 3.885 -2.132 5.504 794 3HB ALA 103 HB2 ALA 103 5.580 -2.433 5.348 795 H SER 104 HN SER 104 2.703 -3.304 5.702 796 HA SER 104 HA SER 104 0.766 -3.746 7.914 797 1HB SER 104 HB2 SER 104 -0.872 -2.951 6.504 798 2HB SER 104 HB1 SER 104 0.514 -2.155 5.775 799 HG SER 104 HG SER 104 -0.505 -4.690 5.027 800 H GLY 105 HN GLY 105 1.722 -5.066 4.824 801 1HA GLY 105 HA2 GLY 105 1.919 -7.768 5.414 802 2HA GLY 105 HA1 GLY 105 0.216 -7.526 5.051 803 OH TYR 106 OH TYR 106 1.482 -13.285 -2.703 804 H TYR 106 HN TYR 106 0.745 -8.963 3.139 805 HA TYR 106 HA TYR 106 1.610 -7.251 0.858 806 1HB TYR 106 HB2 TYR 106 3.486 -8.457 0.531 807 2HB TYR 106 HB1 TYR 106 3.077 -9.524 1.874 808 HD1 TYR 106 HD1 TYR 106 2.578 -8.959 -1.790 809 HD2 TYR 106 HD2 TYR 106 2.122 -11.690 1.496 810 HE1 TYR 106 HE1 TYR 106 2.042 -10.783 -3.364 811 HE2 TYR 106 HE2 TYR 106 1.587 -13.508 -0.084 812 HH TYR 106 HH TYR 106 1.688 -14.117 -2.270 813 H VAL 107 HN VAL 107 0.630 -7.803 -1.113 814 HA VAL 107 HA VAL 107 -1.323 -10.043 -1.085 815 HB VAL 107 HB VAL 107 -2.611 -8.085 -0.323 816 1HG1 VAL 107 HG12 VAL 107 -0.918 -6.579 -1.757 817 2HG1 VAL 107 HG11 VAL 107 -2.233 -6.692 -2.922 818 3HG1 VAL 107 HG13 VAL 107 -2.527 -6.018 -1.322 819 1HG2 VAL 107 HG22 VAL 107 -3.654 -9.746 -1.868 820 2HG2 VAL 107 HG21 VAL 107 -4.344 -8.133 -2.044 821 3HG2 VAL 107 HG23 VAL 107 -3.188 -8.734 -3.230 822 H VAL 108 HN VAL 108 -1.092 -11.134 -2.970 823 HA VAL 108 HA VAL 108 0.605 -10.076 -5.052 824 HB VAL 108 HB VAL 108 0.526 -12.483 -4.650 825 1HG1 VAL 108 HG12 VAL 108 -2.214 -12.073 -4.356 826 2HG1 VAL 108 HG11 VAL 108 -2.084 -12.972 -5.867 827 3HG1 VAL 108 HG13 VAL 108 -1.401 -13.637 -4.384 828 1HG2 VAL 108 HG23 VAL 108 0.493 -11.279 -7.106 829 2HG2 VAL 108 HG22 VAL 108 0.789 -12.999 -6.851 830 3HG2 VAL 108 HG21 VAL 108 -0.829 -12.435 -7.272 831 H LYS 109 HN LYS 109 -0.097 -8.546 -6.476 832 HA LYS 109 HA LYS 109 -2.970 -8.258 -7.029 833 1HB LYS 109 HB2 LYS 109 -2.428 -6.088 -7.434 834 2HB LYS 109 HB1 LYS 109 -0.825 -6.499 -6.847 835 1HG LYS 109 HG2 LYS 109 -0.165 -7.117 -9.187 836 2HG LYS 109 HG1 LYS 109 -1.743 -6.547 -9.742 837 1HD LYS 109 HD2 LYS 109 -1.056 -4.378 -8.381 838 2HD LYS 109 HD1 LYS 109 0.572 -4.984 -8.684 839 1HE LYS 109 HE2 LYS 109 0.054 -5.115 -11.108 840 2HE LYS 109 HE1 LYS 109 -1.546 -4.446 -10.786 841 1HZ LYS 109 HZ2 LYS 109 0.152 -2.727 -9.535 842 2HZ LYS 109 HZ1 LYS 109 0.980 -3.115 -10.967 843 3HZ LYS 109 HZ3 LYS 109 -0.588 -2.472 -11.043 844 HA PRO 110 HA PRO 110 -3.904 -6.948 -8.965 845 1HB PRO 110 HB2 PRO 110 -5.904 -8.216 -10.576 846 2HB PRO 110 HB1 PRO 110 -4.970 -6.763 -10.962 847 1HG PRO 110 HG2 PRO 110 -4.743 -9.314 -12.212 848 2HG PRO 110 HG1 PRO 110 -3.691 -7.913 -12.459 849 1HD PRO 110 HD2 PRO 110 -3.153 -10.375 -10.954 850 2HD PRO 110 HD1 PRO 110 -2.018 -9.114 -11.478 851 H PHE 111 HN PHE 111 -5.233 -7.057 -7.167 852 HA PHE 111 HA PHE 111 -6.286 -9.733 -6.376 853 1HB PHE 111 HB2 PHE 111 -6.828 -8.415 -4.210 854 2HB PHE 111 HB1 PHE 111 -5.145 -8.807 -4.540 855 HD1 PHE 111 HD1 PHE 111 -7.727 -6.128 -4.892 856 HD2 PHE 111 HD2 PHE 111 -3.546 -7.092 -4.820 857 HE1 PHE 111 HE1 PHE 111 -7.158 -3.717 -4.988 858 HE2 PHE 111 HE2 PHE 111 -2.981 -4.689 -4.901 859 HZ PHE 111 HZ PHE 111 -4.788 -2.997 -4.982 860 H THR 112 HN THR 112 -8.429 -9.929 -5.698 861 HA THR 112 HA THR 112 -10.308 -8.081 -7.048 862 HB THR 112 HB THR 112 -11.275 -10.392 -5.419 863 HG1 THR 112 HG1 THR 112 -10.272 -10.859 -7.997 864 1HG2 THR 112 HG22 THR 112 -12.666 -8.792 -6.869 865 2HG2 THR 112 HG21 THR 112 -11.949 -9.613 -8.256 866 3HG2 THR 112 HG23 THR 112 -12.935 -10.519 -7.107 867 H ALA 113 HN ALA 113 -11.913 -6.937 -5.764 868 HA ALA 113 HA ALA 113 -10.997 -5.812 -3.379 869 1HB ALA 113 HB3 ALA 113 -13.240 -5.452 -4.903 870 2HB ALA 113 HB2 ALA 113 -13.933 -6.206 -3.467 871 3HB ALA 113 HB1 ALA 113 -13.004 -4.715 -3.317 872 H ALA 114 HN ALA 114 -12.442 -8.941 -3.840 873 HA ALA 114 HA ALA 114 -13.073 -9.308 -1.020 874 1HB ALA 114 HB2 ALA 114 -13.313 -10.860 -3.481 875 2HB ALA 114 HB1 ALA 114 -12.720 -11.847 -2.145 876 3HB ALA 114 HB3 ALA 114 -14.250 -10.985 -1.992 877 H THR 115 HN THR 115 -10.327 -9.941 -3.137 878 HA THR 115 HA THR 115 -8.870 -11.440 -1.120 879 HB THR 115 HB THR 115 -7.016 -10.316 -2.914 880 HG1 THR 115 HG1 THR 115 -8.584 -9.628 -4.278 881 1HG2 THR 115 HG22 THR 115 -8.488 -12.962 -2.992 882 2HG2 THR 115 HG21 THR 115 -6.970 -12.614 -3.817 883 3HG2 THR 115 HG23 THR 115 -7.034 -12.621 -2.054 884 H LEU 116 HN LEU 116 -8.271 -8.106 -2.506 885 HA LEU 116 HA LEU 116 -6.444 -7.353 -0.521 886 1HB LEU 116 HB2 LEU 116 -7.941 -6.006 -2.523 887 2HB LEU 116 HB1 LEU 116 -8.275 -5.153 -1.023 888 HG LEU 116 HG LEU 116 -5.608 -5.565 -2.393 889 1HD1 LEU 116 HD12 LEU 116 -7.312 -3.570 -2.680 890 2HD1 LEU 116 HD11 LEU 116 -6.630 -3.037 -1.149 891 3HD1 LEU 116 HD13 LEU 116 -5.587 -3.243 -2.553 892 1HD2 LEU 116 HD23 LEU 116 -6.153 -5.272 0.502 893 2HD2 LEU 116 HD22 LEU 116 -4.697 -5.841 -0.318 894 3HD2 LEU 116 HD21 LEU 116 -5.001 -4.113 -0.156 895 H GLU 117 HN GLU 117 -9.999 -7.459 -0.372 896 HA GLU 117 HA GLU 117 -10.262 -6.161 2.153 897 1HB GLU 117 HB2 GLU 117 -12.219 -6.410 0.785 898 2HB GLU 117 HB1 GLU 117 -12.012 -8.159 0.718 899 1HG GLU 117 HG2 GLU 117 -13.800 -7.338 2.324 900 2HG GLU 117 HG1 GLU 117 -12.592 -8.408 3.030 901 H GLU 118 HN GLU 118 -10.390 -9.635 1.374 902 HA GLU 118 HA GLU 118 -10.568 -10.762 3.878 903 1HB GLU 118 HB2 GLU 118 -9.275 -11.561 1.348 904 2HB GLU 118 HB1 GLU 118 -8.655 -12.383 2.781 905 1HG GLU 118 HG2 GLU 118 -10.780 -13.260 3.342 906 2HG GLU 118 HG1 GLU 118 -11.621 -12.123 2.286 907 H LYS 119 HN LYS 119 -7.713 -9.223 2.487 908 HA LYS 119 HA LYS 119 -6.096 -9.921 4.859 909 1HB LYS 119 HB2 LYS 119 -5.594 -8.821 2.156 910 2HB LYS 119 HB1 LYS 119 -4.555 -8.187 3.434 911 1HG LYS 119 HG2 LYS 119 -3.952 -10.481 4.098 912 2HG LYS 119 HG1 LYS 119 -5.006 -11.129 2.841 913 1HD LYS 119 HD2 LYS 119 -3.471 -9.399 1.390 914 2HD LYS 119 HD1 LYS 119 -2.315 -9.930 2.611 915 1HE LYS 119 HE2 LYS 119 -3.926 -11.691 0.745 916 2HE LYS 119 HE1 LYS 119 -2.179 -11.457 0.736 917 1HZ LYS 119 HZ2 LYS 119 -3.478 -12.396 3.193 918 2HZ LYS 119 HZ1 LYS 119 -3.223 -13.500 1.927 919 3HZ LYS 119 HZ3 LYS 119 -1.905 -12.690 2.623 920 H LEU 120 HN LEU 120 -7.945 -7.267 3.571 921 HA LEU 120 HA LEU 120 -6.779 -5.156 5.131 922 1HB LEU 120 HB2 LEU 120 -8.437 -5.056 3.112 923 2HB LEU 120 HB1 LEU 120 -9.682 -5.195 4.349 924 HG LEU 120 HG LEU 120 -8.247 -3.276 5.504 925 1HD1 LEU 120 HD12 LEU 120 -7.721 -2.911 2.535 926 2HD1 LEU 120 HD11 LEU 120 -7.355 -1.727 3.789 927 3HD1 LEU 120 HD13 LEU 120 -6.501 -3.271 3.758 928 1HD2 LEU 120 HD23 LEU 120 -10.276 -3.043 3.277 929 2HD2 LEU 120 HD22 LEU 120 -10.544 -2.916 5.015 930 3HD2 LEU 120 HD21 LEU 120 -9.701 -1.626 4.156 931 H ASN 121 HN ASN 121 -10.002 -6.654 5.626 932 HA ASN 121 HA ASN 121 -10.548 -5.710 8.167 933 1HB ASN 121 HB2 ASN 121 -11.878 -7.378 6.647 934 2HB ASN 121 HB1 ASN 121 -11.048 -8.616 7.588 935 1HD2 ASN 121 HD22 ASN 121 -14.140 -6.612 9.242 936 2HD2 ASN 121 HD21 ASN 121 -13.691 -6.392 7.620 937 H LYS 122 HN LYS 122 -8.711 -8.681 7.459 938 HA LYS 122 HA LYS 122 -8.104 -9.317 10.167 939 1HB LYS 122 HB2 LYS 122 -7.259 -10.198 7.525 940 2HB LYS 122 HB1 LYS 122 -5.914 -10.193 8.666 941 1HG LYS 122 HG2 LYS 122 -7.267 -11.505 10.264 942 2HG LYS 122 HG1 LYS 122 -8.603 -11.524 9.113 943 1HD LYS 122 HD2 LYS 122 -7.199 -12.714 7.481 944 2HD LYS 122 HD1 LYS 122 -5.843 -12.676 8.608 945 1HE LYS 122 HE2 LYS 122 -8.498 -14.078 9.029 946 2HE LYS 122 HE1 LYS 122 -6.934 -14.847 8.766 947 1HZ LYS 122 HZ3 LYS 122 -6.232 -13.493 10.818 948 2HZ LYS 122 HZ2 LYS 122 -7.898 -13.369 11.125 949 3HZ LYS 122 HZ1 LYS 122 -7.158 -14.895 11.047 950 H ILE 123 HN ILE 123 -6.679 -6.989 7.969 951 HA ILE 123 HA ILE 123 -4.284 -6.616 9.616 952 HB ILE 123 HB ILE 123 -5.419 -5.299 7.164 953 1HG1 ILE 123 HG12 ILE 123 -2.629 -6.310 7.763 954 2HG1 ILE 123 HG11 ILE 123 -3.912 -7.367 7.173 955 1HG2 ILE 123 HG21 ILE 123 -3.384 -4.164 9.080 956 2HG2 ILE 123 HG23 ILE 123 -3.304 -3.794 7.359 957 3HG2 ILE 123 HG22 ILE 123 -4.732 -3.345 8.290 958 1HD1 ILE 123 HD13 ILE 123 -3.213 -4.801 5.746 959 2HD1 ILE 123 HD12 ILE 123 -2.352 -6.304 5.411 960 3HD1 ILE 123 HD11 ILE 123 -4.089 -6.199 5.122 961 H PHE 124 HN PHE 124 -7.285 -4.757 9.001 962 HA PHE 124 HA PHE 124 -6.589 -2.620 10.763 963 1HB PHE 124 HB2 PHE 124 -9.176 -3.603 9.590 964 2HB PHE 124 HB1 PHE 124 -9.171 -2.314 10.794 965 HD1 PHE 124 HD1 PHE 124 -7.311 -3.336 7.715 966 HD2 PHE 124 HD2 PHE 124 -8.927 -0.110 10.036 967 HE1 PHE 124 HE1 PHE 124 -6.569 -1.731 5.990 968 HE2 PHE 124 HE2 PHE 124 -8.186 1.504 8.305 969 HZ PHE 124 HZ PHE 124 -7.005 0.687 6.283 970 H GLU 125 HN GLU 125 -7.217 -5.826 11.481 971 HA GLU 125 HA GLU 125 -8.696 -5.507 13.944 972 1HB GLU 125 HB2 GLU 125 -8.370 -7.701 12.713 973 2HB GLU 125 HB1 GLU 125 -6.694 -7.688 13.267 974 1HG GLU 125 HG2 GLU 125 -8.222 -7.162 15.564 975 2HG GLU 125 HG1 GLU 125 -9.090 -8.444 14.719 976 H LYS 126 HN LYS 126 -5.368 -5.206 12.964 977 HA LYS 126 HA LYS 126 -4.381 -4.973 15.732 978 1HB LYS 126 HB2 LYS 126 -2.995 -4.508 13.068 979 2HB LYS 126 HB1 LYS 126 -2.198 -4.540 14.642 980 1HG LYS 126 HG2 LYS 126 -2.927 -6.875 14.968 981 2HG LYS 126 HG1 LYS 126 -3.723 -6.846 13.394 982 1HD LYS 126 HD2 LYS 126 -1.363 -6.101 12.517 983 2HD LYS 126 HD1 LYS 126 -0.785 -6.810 14.026 984 1HE LYS 126 HE2 LYS 126 -1.882 -8.938 13.462 985 2HE LYS 126 HE1 LYS 126 -2.492 -8.237 11.964 986 1HZ LYS 126 HZ3 LYS 126 0.385 -8.438 12.666 987 2HZ LYS 126 HZ2 LYS 126 -0.438 -9.548 11.677 988 3HZ LYS 126 HZ1 LYS 126 -0.269 -7.931 11.185 989 H LEU 127 HN LEU 127 -5.206 -2.958 12.962 990 HA LEU 127 HA LEU 127 -4.214 -0.485 14.103 991 1HB LEU 127 HB2 LEU 127 -4.951 -1.186 11.603 992 2HB LEU 127 HB1 LEU 127 -6.458 -0.441 12.132 993 HG LEU 127 HG LEU 127 -3.718 0.859 12.256 994 1HD1 LEU 127 HD12 LEU 127 -4.852 0.499 9.967 995 2HD1 LEU 127 HD11 LEU 127 -6.056 1.661 10.523 996 3HD1 LEU 127 HD13 LEU 127 -4.366 2.145 10.375 997 1HD2 LEU 127 HD22 LEU 127 -6.467 1.658 13.168 998 2HD2 LEU 127 HD21 LEU 127 -4.914 1.893 13.972 999 3HD2 LEU 127 HD23 LEU 127 -5.357 2.901 12.596 1000 H GLY 128 HN GLY 128 -7.162 -2.347 14.353 1001 1HA GLY 128 HA2 GLY 128 -9.153 -1.949 15.543 1002 2HA GLY 128 HA1 GLY 128 -8.078 -1.189 16.717 1003 H MET 129 HN MET 129 -9.999 -0.565 13.806 1004 HA MET 129 HA MET 129 -9.912 2.360 14.427 1005 1HB MET 129 HB2 MET 129 -9.732 0.890 11.989 1006 2HB MET 129 HB1 MET 129 -11.236 1.810 11.954 1007 1HG MET 129 HG2 MET 129 -8.524 2.978 12.640 1008 2HG MET 129 HG1 MET 129 -9.299 3.107 11.062 1009 1HE MET 129 HE2 MET 129 -8.199 5.294 13.012 1010 2HE MET 129 HE1 MET 129 -9.387 6.251 13.895 1011 3HE MET 129 HE3 MET 129 -8.872 4.677 14.519 Start of MODEL 43 Raw file had 1011 H/Q atoms Start of MODEL 43 1 H ALA 2 HN ALA 2 -14.737 -0.303 9.467 2 HA ALA 2 HA ALA 2 -13.226 1.240 10.389 3 1HB ALA 2 HB1 ALA 2 -11.667 -0.171 9.073 4 2HB ALA 2 HB3 ALA 2 -11.919 0.873 7.674 5 3HB ALA 2 HB2 ALA 2 -11.133 1.509 9.118 6 H ASP 3 HN ASP 3 -11.979 3.433 9.672 7 HA ASP 3 HA ASP 3 -13.859 5.444 9.297 8 1HB ASP 3 HB2 ASP 3 -11.024 5.273 9.358 9 2HB ASP 3 HB1 ASP 3 -11.443 6.219 7.930 10 H LYS 4 HN LYS 4 -14.739 6.532 7.475 11 HA LYS 4 HA LYS 4 -14.640 4.973 4.973 12 1HB LYS 4 HB2 LYS 4 -16.839 5.665 5.715 13 2HB LYS 4 HB1 LYS 4 -16.329 7.347 5.774 14 1HG LYS 4 HG2 LYS 4 -16.417 7.595 3.492 15 2HG LYS 4 HG1 LYS 4 -15.983 5.913 3.188 16 1HD LYS 4 HD2 LYS 4 -18.203 5.160 3.753 17 2HD LYS 4 HD1 LYS 4 -18.655 6.763 4.331 18 1HE LYS 4 HE2 LYS 4 -18.217 7.629 1.993 19 2HE LYS 4 HE1 LYS 4 -18.042 5.950 1.478 20 1HZ LYS 4 HZ2 LYS 4 -20.392 6.321 3.039 21 2HZ LYS 4 HZ1 LYS 4 -20.385 7.364 1.698 22 3HZ LYS 4 HZ3 LYS 4 -20.231 5.691 1.469 23 H GLU 5 HN GLU 5 -12.606 7.120 6.193 24 HA GLU 5 HA GLU 5 -11.999 8.267 3.517 25 1HB GLU 5 HB2 GLU 5 -11.527 10.485 4.664 26 2HB GLU 5 HB1 GLU 5 -13.233 10.053 4.532 27 1HG GLU 5 HG2 GLU 5 -13.380 9.444 6.808 28 2HG GLU 5 HG1 GLU 5 -11.628 9.318 6.977 29 H LEU 6 HN LEU 6 -10.584 6.156 4.687 30 HA LEU 6 HA LEU 6 -8.310 7.241 6.126 31 1HB LEU 6 HB2 LEU 6 -9.065 4.916 6.485 32 2HB LEU 6 HB1 LEU 6 -8.723 4.546 4.795 33 HG LEU 6 HG LEU 6 -6.337 5.071 5.170 34 1HD1 LEU 6 HD12 LEU 6 -7.410 5.780 7.881 35 2HD1 LEU 6 HD11 LEU 6 -5.776 5.131 7.751 36 3HD1 LEU 6 HD13 LEU 6 -6.202 6.618 6.907 37 1HD2 LEU 6 HD23 LEU 6 -7.820 2.980 6.639 38 2HD2 LEU 6 HD22 LEU 6 -6.507 2.827 5.473 39 3HD2 LEU 6 HD21 LEU 6 -6.154 3.240 7.153 40 H LYS 7 HN LYS 7 -6.908 8.537 4.969 41 HA LYS 7 HA LYS 7 -6.898 8.694 2.154 42 1HB LYS 7 HB2 LYS 7 -4.880 9.571 4.209 43 2HB LYS 7 HB1 LYS 7 -4.713 9.928 2.492 44 1HG LYS 7 HG2 LYS 7 -6.726 11.193 2.449 45 2HG LYS 7 HG1 LYS 7 -7.216 10.599 4.036 46 1HD LYS 7 HD2 LYS 7 -5.316 11.775 5.074 47 2HD LYS 7 HD1 LYS 7 -4.805 12.357 3.489 48 1HE LYS 7 HE2 LYS 7 -7.571 12.989 3.793 49 2HE LYS 7 HE1 LYS 7 -6.735 13.512 5.255 50 1HZ LYS 7 HZ2 LYS 7 -5.449 14.085 2.698 51 2HZ LYS 7 HZ1 LYS 7 -6.832 14.993 3.088 52 3HZ LYS 7 HZ3 LYS 7 -5.490 15.007 4.126 53 H PHE 8 HN PHE 8 -6.097 7.399 0.637 54 HA PHE 8 HA PHE 8 -3.941 5.463 1.342 55 1HB PHE 8 HB2 PHE 8 -6.023 5.446 -0.881 56 2HB PHE 8 HB1 PHE 8 -4.717 4.288 -0.759 57 HD1 PHE 8 HD1 PHE 8 -7.743 5.566 0.942 58 HD2 PHE 8 HD2 PHE 8 -4.871 2.414 0.690 59 HE1 PHE 8 HE1 PHE 8 -9.112 4.189 2.488 60 HE2 PHE 8 HE2 PHE 8 -6.235 1.025 2.232 61 HZ PHE 8 HZ PHE 8 -8.365 1.916 3.130 62 H LEU 9 HN LEU 9 -2.222 5.227 -0.147 63 HA LEU 9 HA LEU 9 -1.986 7.420 -2.171 64 1HB LEU 9 HB2 LEU 9 -0.439 7.931 -0.386 65 2HB LEU 9 HB1 LEU 9 0.156 6.278 -0.352 66 HG LEU 9 HG LEU 9 1.078 6.526 -2.604 67 1HD1 LEU 9 HD13 LEU 9 -0.392 9.140 -2.449 68 2HD1 LEU 9 HD12 LEU 9 1.041 9.006 -3.467 69 3HD1 LEU 9 HD11 LEU 9 -0.351 7.965 -3.764 70 1HD2 LEU 9 HD22 LEU 9 1.776 8.602 -0.545 71 2HD2 LEU 9 HD21 LEU 9 2.671 7.158 -1.022 72 3HD2 LEU 9 HD23 LEU 9 2.626 8.558 -2.089 73 H VAL 10 HN VAL 10 -2.388 6.340 -4.039 74 HA VAL 10 HA VAL 10 -1.503 3.544 -4.335 75 HB VAL 10 HB VAL 10 -2.750 5.095 -6.569 76 1HG1 VAL 10 HG11 VAL 10 -2.122 2.509 -6.329 77 2HG1 VAL 10 HG13 VAL 10 -3.699 2.458 -5.536 78 3HG1 VAL 10 HG12 VAL 10 -3.564 3.033 -7.198 79 1HG2 VAL 10 HG22 VAL 10 -4.042 4.417 -3.924 80 2HG2 VAL 10 HG21 VAL 10 -4.112 5.934 -4.822 81 3HG2 VAL 10 HG23 VAL 10 -4.997 4.523 -5.403 82 H VAL 11 HN VAL 11 0.654 3.375 -4.774 83 HA VAL 11 HA VAL 11 1.846 5.193 -6.774 84 HB VAL 11 HB VAL 11 3.164 3.357 -4.763 85 1HG1 VAL 11 HG12 VAL 11 4.156 4.893 -7.076 86 2HG1 VAL 11 HG11 VAL 11 5.031 5.198 -5.576 87 3HG1 VAL 11 HG13 VAL 11 4.909 3.557 -6.206 88 1HG2 VAL 11 HG21 VAL 11 2.088 6.048 -4.620 89 2HG2 VAL 11 HG23 VAL 11 2.754 5.052 -3.327 90 3HG2 VAL 11 HG22 VAL 11 3.821 6.053 -4.311 91 H ASP 12 HN ASP 12 1.473 4.278 -8.763 92 HA ASP 12 HA ASP 12 2.711 1.639 -9.254 93 1HB ASP 12 HB2 ASP 12 0.228 1.328 -8.700 94 2HB ASP 12 HB1 ASP 12 -0.107 2.183 -10.205 95 H ASP 13 HN ASP 13 3.342 1.384 -11.452 96 HA ASP 13 HA ASP 13 3.563 3.921 -12.927 97 1HB ASP 13 HB2 ASP 13 5.479 2.326 -12.753 98 2HB ASP 13 HB1 ASP 13 4.547 1.151 -13.681 99 H PHE 14 HN PHE 14 1.475 1.203 -12.873 100 HA PHE 14 HA PHE 14 0.695 0.800 -15.511 101 1HB PHE 14 HB2 PHE 14 -0.406 0.279 -12.962 102 2HB PHE 14 HB1 PHE 14 -1.670 1.096 -13.880 103 HD1 PHE 14 HD1 PHE 14 1.013 -1.453 -14.546 104 HD2 PHE 14 HD2 PHE 14 -3.096 -0.311 -15.079 105 HE1 PHE 14 HE1 PHE 14 0.597 -3.540 -15.817 106 HE2 PHE 14 HE2 PHE 14 -3.510 -2.398 -16.349 107 HZ PHE 14 HZ PHE 14 -1.664 -4.013 -16.718 108 H SER 15 HN SER 15 -1.410 1.687 -16.531 109 HA SER 15 HA SER 15 -1.445 4.672 -16.242 110 1HB SER 15 HB2 SER 15 -2.482 4.129 -18.739 111 2HB SER 15 HB1 SER 15 -0.820 4.611 -18.417 112 HG SER 15 HG SER 15 -1.644 1.917 -18.231 113 H THR 16 HN THR 16 -3.178 2.150 -15.276 114 HA THR 16 HA THR 16 -5.697 3.662 -15.385 115 HB THR 16 HB THR 16 -5.886 2.425 -17.465 116 HG1 THR 16 HG1 THR 16 -7.300 1.103 -15.393 117 1HG2 THR 16 HG23 THR 16 -4.152 0.722 -16.904 118 2HG2 THR 16 HG22 THR 16 -5.307 -0.056 -15.823 119 3HG2 THR 16 HG21 THR 16 -5.623 0.002 -17.557 120 H MET 17 HN MET 17 -3.684 1.139 -14.126 121 HA MET 17 HA MET 17 -5.386 -0.291 -12.440 122 1HB MET 17 HB2 MET 17 -2.869 -0.570 -12.691 123 2HB MET 17 HB1 MET 17 -2.693 0.763 -11.549 124 1HG MET 17 HG2 MET 17 -2.607 -1.194 -10.206 125 2HG MET 17 HG1 MET 17 -4.246 -0.577 -10.000 126 1HE MET 17 HE1 MET 17 -4.012 -2.780 -8.947 127 2HE MET 17 HE3 MET 17 -5.564 -3.402 -9.526 128 3HE MET 17 HE2 MET 17 -4.098 -4.357 -9.728 129 NH1 ARG 18 NH1 ARG 18 -6.570 9.140 -10.800 130 NH2 ARG 18 NH2 ARG 18 -8.804 8.801 -10.794 131 H ARG 18 HN ARG 18 -3.855 2.865 -11.765 132 HA ARG 18 HA ARG 18 -4.800 3.299 -9.178 133 1HB ARG 18 HB2 ARG 18 -3.875 5.311 -9.523 134 2HB ARG 18 HB1 ARG 18 -3.609 4.841 -11.185 135 1HG ARG 18 HG2 ARG 18 -4.694 6.911 -11.336 136 2HG ARG 18 HG1 ARG 18 -5.990 5.776 -11.633 137 1HD ARG 18 HD2 ARG 18 -6.136 5.976 -8.919 138 2HD ARG 18 HD1 ARG 18 -5.509 7.569 -9.317 139 HE ARG 18 HE ARG 18 -8.160 6.523 -10.087 140 1HH1 ARG 18 HH11 ARG 18 -5.642 8.806 -10.635 141 2HH1 ARG 18 HH12 ARG 18 -6.712 10.072 -11.137 142 1HH2 ARG 18 HH21 ARG 18 -9.589 8.208 -10.624 143 2HH2 ARG 18 HH22 ARG 18 -8.945 9.731 -11.132 144 NH1 ARG 19 NH1 ARG 19 -6.712 7.666 -13.841 145 NH2 ARG 19 NH2 ARG 19 -7.313 6.969 -15.905 146 H ARG 19 HN ARG 19 -6.541 3.612 -12.228 147 HA ARG 19 HA ARG 19 -8.833 4.759 -10.958 148 1HB ARG 19 HB2 ARG 19 -8.029 4.460 -13.576 149 2HB ARG 19 HB1 ARG 19 -9.349 3.296 -13.461 150 1HG ARG 19 HG2 ARG 19 -10.433 5.300 -14.067 151 2HG ARG 19 HG1 ARG 19 -10.668 5.219 -12.322 152 1HD ARG 19 HD2 ARG 19 -9.856 7.364 -12.428 153 2HD ARG 19 HD1 ARG 19 -8.306 6.527 -12.384 154 HE ARG 19 HE ARG 19 -9.595 7.523 -14.891 155 1HH1 ARG 19 HH11 ARG 19 -6.958 7.907 -12.902 156 2HH1 ARG 19 HH12 ARG 19 -5.758 7.718 -14.137 157 1HH2 ARG 19 HH21 ARG 19 -8.020 6.677 -16.548 158 2HH2 ARG 19 HH22 ARG 19 -6.359 7.022 -16.201 159 H ILE 20 HN ILE 20 -7.765 1.493 -11.629 160 HA ILE 20 HA ILE 20 -10.289 0.181 -11.189 161 HB ILE 20 HB ILE 20 -7.429 -0.618 -11.355 162 1HG1 ILE 20 HG12 ILE 20 -9.927 -1.971 -12.394 163 2HG1 ILE 20 HG11 ILE 20 -9.157 -0.620 -13.228 164 1HG2 ILE 20 HG22 ILE 20 -9.519 -2.230 -9.869 165 2HG2 ILE 20 HG21 ILE 20 -8.124 -2.979 -10.639 166 3HG2 ILE 20 HG23 ILE 20 -7.886 -1.814 -9.340 167 1HD1 ILE 20 HD13 ILE 20 -7.041 -1.900 -13.333 168 2HD1 ILE 20 HD12 ILE 20 -7.830 -3.256 -12.528 169 3HD1 ILE 20 HD11 ILE 20 -8.353 -2.762 -14.137 170 H VAL 21 HN VAL 21 -7.452 0.565 -9.040 171 HA VAL 21 HA VAL 21 -8.693 -0.519 -6.738 172 HB VAL 21 HB VAL 21 -6.932 1.498 -5.840 173 1HG1 VAL 21 HG13 VAL 21 -6.557 -1.450 -6.451 174 2HG1 VAL 21 HG12 VAL 21 -5.431 -0.485 -5.494 175 3HG1 VAL 21 HG11 VAL 21 -7.077 -0.749 -4.919 176 1HG2 VAL 21 HG22 VAL 21 -6.326 1.788 -8.253 177 2HG2 VAL 21 HG21 VAL 21 -4.984 1.191 -7.278 178 3HG2 VAL 21 HG23 VAL 21 -5.883 0.083 -8.311 179 NH1 ARG 22 NH2 ARG 22 -10.232 9.915 -7.023 180 NH2 ARG 22 NH1 ARG 22 -10.449 10.164 -9.259 181 H ARG 22 HN ARG 22 -8.855 2.732 -8.113 182 HA ARG 22 HA ARG 22 -9.876 4.210 -5.968 183 1HB ARG 22 HB2 ARG 22 -10.053 4.328 -8.875 184 2HB ARG 22 HB1 ARG 22 -11.539 4.895 -8.119 185 1HG ARG 22 HG2 ARG 22 -10.155 6.398 -6.653 186 2HG ARG 22 HG1 ARG 22 -8.735 5.920 -7.588 187 1HD ARG 22 HD2 ARG 22 -9.903 6.714 -9.656 188 2HD ARG 22 HD1 ARG 22 -11.215 7.309 -8.639 189 HE ARG 22 HE ARG 22 -8.412 8.327 -8.392 190 1HH1 ARG 22 HH21 ARG 22 -9.906 9.388 -6.239 191 2HH1 ARG 22 HH22 ARG 22 -10.716 10.778 -6.881 192 1HH2 ARG 22 HH11 ARG 22 -10.291 9.828 -10.187 193 2HH2 ARG 22 HH12 ARG 22 -10.934 11.028 -9.115 194 H ASN 23 HN ASN 23 -11.740 2.208 -8.253 195 HA ASN 23 HA ASN 23 -14.253 2.467 -6.924 196 1HB ASN 23 HB2 ASN 23 -13.245 1.355 -9.245 197 2HB ASN 23 HB1 ASN 23 -13.742 -0.037 -8.323 198 1HD2 ASN 23 HD22 ASN 23 -17.199 0.573 -8.751 199 2HD2 ASN 23 HD21 ASN 23 -16.002 -0.444 -8.106 200 H LEU 24 HN LEU 24 -12.010 -0.271 -7.106 201 HA LEU 24 HA LEU 24 -13.114 -2.044 -5.324 202 1HB LEU 24 HB2 LEU 24 -10.863 -2.076 -6.645 203 2HB LEU 24 HB1 LEU 24 -10.182 -1.387 -5.189 204 HG LEU 24 HG LEU 24 -11.861 -3.744 -4.636 205 1HD1 LEU 24 HD11 LEU 24 -9.521 -3.987 -6.530 206 2HD1 LEU 24 HD13 LEU 24 -10.145 -5.345 -5.597 207 3HD1 LEU 24 HD12 LEU 24 -11.175 -4.542 -6.781 208 1HD2 LEU 24 HD21 LEU 24 -9.128 -2.758 -3.884 209 2HD2 LEU 24 HD23 LEU 24 -10.447 -3.319 -2.861 210 3HD2 LEU 24 HD22 LEU 24 -9.460 -4.476 -3.745 211 H LEU 25 HN LEU 25 -11.315 0.895 -4.519 212 HA LEU 25 HA LEU 25 -11.372 0.438 -1.634 213 1HB LEU 25 HB2 LEU 25 -10.540 2.624 -3.484 214 2HB LEU 25 HB1 LEU 25 -10.985 3.102 -1.854 215 HG LEU 25 HG LEU 25 -9.138 0.770 -2.213 216 1HD1 LEU 25 HD12 LEU 25 -8.546 3.646 -2.778 217 2HD1 LEU 25 HD11 LEU 25 -7.332 2.705 -1.914 218 3HD1 LEU 25 HD13 LEU 25 -7.866 2.196 -3.516 219 1HD2 LEU 25 HD22 LEU 25 -10.083 1.484 0.015 220 2HD2 LEU 25 HD21 LEU 25 -8.322 1.511 -0.051 221 3HD2 LEU 25 HD23 LEU 25 -9.232 3.016 -0.175 222 H LYS 26 HN LYS 26 -13.279 2.354 -3.952 223 HA LYS 26 HA LYS 26 -15.012 3.543 -2.051 224 1HB LYS 26 HB2 LYS 26 -14.912 4.291 -4.397 225 2HB LYS 26 HB1 LYS 26 -15.591 2.749 -4.919 226 1HG LYS 26 HG2 LYS 26 -17.703 3.251 -4.131 227 2HG LYS 26 HG1 LYS 26 -17.090 4.295 -2.848 228 1HD LYS 26 HD2 LYS 26 -16.745 6.106 -4.318 229 2HD LYS 26 HD1 LYS 26 -16.788 5.071 -5.746 230 1HE LYS 26 HE2 LYS 26 -19.195 5.356 -3.950 231 2HE LYS 26 HE1 LYS 26 -18.884 6.503 -5.252 232 1HZ LYS 26 HZ1 LYS 26 -18.795 4.630 -6.800 233 2HZ LYS 26 HZ3 LYS 26 -19.174 3.562 -5.538 234 3HZ LYS 26 HZ2 LYS 26 -20.303 4.736 -6.025 235 H GLU 27 HN GLU 27 -14.994 0.383 -3.594 236 HA GLU 27 HA GLU 27 -17.581 -0.504 -3.004 237 1HB GLU 27 HB2 GLU 27 -15.330 -1.670 -4.044 238 2HB GLU 27 HB1 GLU 27 -15.464 -2.489 -2.487 239 1HG GLU 27 HG2 GLU 27 -17.814 -3.062 -2.994 240 2HG GLU 27 HG1 GLU 27 -17.671 -2.259 -4.556 241 H LEU 28 HN LEU 28 -14.658 -0.714 -0.975 242 HA LEU 28 HA LEU 28 -16.069 -1.762 1.314 243 1HB LEU 28 HB2 LEU 28 -13.359 -0.984 0.655 244 2HB LEU 28 HB1 LEU 28 -13.810 -0.314 2.221 245 HG LEU 28 HG LEU 28 -12.808 -2.573 2.437 246 1HD1 LEU 28 HD11 LEU 28 -15.196 -1.629 3.583 247 2HD1 LEU 28 HD13 LEU 28 -15.508 -3.318 3.185 248 3HD1 LEU 28 HD12 LEU 28 -14.145 -2.893 4.220 249 1HD2 LEU 28 HD22 LEU 28 -14.198 -3.139 0.134 250 2HD2 LEU 28 HD21 LEU 28 -13.480 -4.353 1.192 251 3HD2 LEU 28 HD23 LEU 28 -15.186 -3.938 1.355 252 H GLY 29 HN GLY 29 -14.906 1.488 0.466 253 1HA GLY 29 HA2 GLY 29 -16.857 3.167 0.947 254 2HA GLY 29 HA1 GLY 29 -16.587 2.619 2.595 255 H PHE 30 HN PHE 30 -14.841 4.085 -0.157 256 HA PHE 30 HA PHE 30 -13.488 5.857 1.786 257 1HB PHE 30 HB2 PHE 30 -12.027 3.900 -0.010 258 2HB PHE 30 HB1 PHE 30 -11.249 5.339 0.630 259 HD1 PHE 30 HD1 PHE 30 -11.471 5.702 3.195 260 HD2 PHE 30 HD2 PHE 30 -12.025 1.926 1.235 261 HE1 PHE 30 HE1 PHE 30 -11.014 4.530 5.326 262 HE2 PHE 30 HE2 PHE 30 -11.579 0.748 3.374 263 HZ PHE 30 HZ PHE 30 -11.074 2.052 5.424 264 H ASN 31 HN ASN 31 -12.616 7.797 0.693 265 HA ASN 31 HA ASN 31 -13.030 7.957 -2.232 266 1HB ASN 31 HB2 ASN 31 -15.136 8.648 -0.683 267 2HB ASN 31 HB1 ASN 31 -14.283 10.191 -0.744 268 1HD2 ASN 31 HD22 ASN 31 -15.205 10.832 -4.080 269 2HD2 ASN 31 HD21 ASN 31 -14.495 11.409 -2.650 270 H ASN 32 HN ASN 32 -10.667 8.263 -0.371 271 HA ASN 32 HA ASN 32 -9.803 10.906 -1.400 272 1HB ASN 32 HB2 ASN 32 -8.695 10.958 1.063 273 2HB ASN 32 HB1 ASN 32 -10.237 11.715 0.679 274 1HD2 ASN 32 HD22 ASN 32 -10.310 8.093 2.638 275 2HD2 ASN 32 HD21 ASN 32 -9.011 8.443 1.601 276 H VAL 33 HN VAL 33 -8.059 10.253 -2.652 277 HA VAL 33 HA VAL 33 -5.839 8.925 -1.238 278 HB VAL 33 HB VAL 33 -5.661 7.030 -2.558 279 1HG1 VAL 33 HG11 VAL 33 -7.798 6.880 -1.344 280 2HG1 VAL 33 HG13 VAL 33 -8.630 7.617 -2.712 281 3HG1 VAL 33 HG12 VAL 33 -7.881 6.031 -2.883 282 1HG2 VAL 33 HG22 VAL 33 -7.083 8.661 -4.666 283 2HG2 VAL 33 HG21 VAL 33 -5.475 7.933 -4.734 284 3HG2 VAL 33 HG23 VAL 33 -6.910 6.915 -4.823 285 H GLU 34 HN GLU 34 -3.942 8.664 -3.002 286 HA GLU 34 HA GLU 34 -3.983 10.983 -4.871 287 1HB GLU 34 HB2 GLU 34 -2.212 10.615 -2.509 288 2HB GLU 34 HB1 GLU 34 -1.429 11.151 -3.994 289 1HG GLU 34 HG2 GLU 34 -3.054 13.001 -4.193 290 2HG GLU 34 HG1 GLU 34 -3.832 12.473 -2.701 291 H GLU 35 HN GLU 35 -1.402 10.714 -5.864 292 HA GLU 35 HA GLU 35 -1.043 7.847 -6.471 293 1HB GLU 35 HB2 GLU 35 -2.729 9.081 -8.092 294 2HB GLU 35 HB1 GLU 35 -1.239 9.673 -8.829 295 1HG GLU 35 HG2 GLU 35 -0.566 7.088 -8.621 296 2HG GLU 35 HG1 GLU 35 -2.318 6.893 -8.703 297 H ALA 36 HN ALA 36 0.979 7.335 -7.364 298 HA ALA 36 HA ALA 36 2.934 9.564 -7.694 299 1HB ALA 36 HB3 ALA 36 2.888 8.106 -5.392 300 2HB ALA 36 HB2 ALA 36 3.967 7.124 -6.383 301 3HB ALA 36 HB1 ALA 36 4.351 8.816 -6.071 302 H GLU 37 HN GLU 37 5.166 7.960 -8.193 303 HA GLU 37 HA GLU 37 4.289 6.278 -10.514 304 1HB GLU 37 HB2 GLU 37 6.640 8.188 -10.447 305 2HB GLU 37 HB1 GLU 37 6.196 7.144 -11.797 306 1HG GLU 37 HG2 GLU 37 4.225 8.358 -12.246 307 2HG GLU 37 HG1 GLU 37 4.217 9.109 -10.652 308 H ASP 38 HN ASP 38 6.058 6.347 -7.625 309 HA ASP 38 HA ASP 38 6.936 3.675 -7.827 310 1HB ASP 38 HB2 ASP 38 8.694 5.593 -9.181 311 2HB ASP 38 HB1 ASP 38 9.533 4.633 -7.962 312 H GLY 39 HN GLY 39 8.954 3.346 -6.206 313 1HA GLY 39 HA2 GLY 39 8.107 4.192 -3.652 314 2HA GLY 39 HA1 GLY 39 9.727 3.596 -3.999 315 H VAL 40 HN VAL 40 10.950 5.433 -5.465 316 HA VAL 40 HA VAL 40 11.610 7.533 -3.719 317 HB VAL 40 HB VAL 40 12.833 6.773 -5.853 318 1HG1 VAL 40 HG13 VAL 40 10.676 7.217 -7.223 319 2HG1 VAL 40 HG12 VAL 40 11.160 8.912 -7.168 320 3HG1 VAL 40 HG11 VAL 40 12.214 7.717 -7.927 321 1HG2 VAL 40 HG22 VAL 40 12.487 9.547 -4.818 322 2HG2 VAL 40 HG21 VAL 40 13.934 8.542 -4.872 323 3HG2 VAL 40 HG23 VAL 40 13.376 9.364 -6.328 324 H ASP 41 HN ASP 41 9.108 7.346 -6.185 325 HA ASP 41 HA ASP 41 8.341 10.129 -6.067 326 1HB ASP 41 HB2 ASP 41 7.784 8.268 -7.826 327 2HB ASP 41 HB1 ASP 41 6.447 7.897 -6.745 328 H ALA 42 HN ALA 42 7.227 7.170 -4.469 329 HA ALA 42 HA ALA 42 5.078 8.401 -3.015 330 1HB ALA 42 HB2 ALA 42 5.938 5.819 -3.368 331 2HB ALA 42 HB1 ALA 42 6.421 6.130 -1.701 332 3HB ALA 42 HB3 ALA 42 4.733 6.315 -2.178 333 H LEU 43 HN LEU 43 8.498 7.812 -2.234 334 HA LEU 43 HA LEU 43 8.382 8.661 0.481 335 1HB LEU 43 HB2 LEU 43 10.326 7.501 -0.662 336 2HB LEU 43 HB1 LEU 43 10.729 9.058 -1.389 337 HG LEU 43 HG LEU 43 10.341 9.637 1.320 338 1HD1 LEU 43 HD12 LEU 43 10.425 7.190 1.767 339 2HD1 LEU 43 HD11 LEU 43 12.013 7.124 1.002 340 3HD1 LEU 43 HD13 LEU 43 11.788 8.045 2.490 341 1HD2 LEU 43 HD21 LEU 43 12.841 9.153 -0.327 342 2HD2 LEU 43 HD23 LEU 43 12.023 10.692 -0.056 343 3HD2 LEU 43 HD22 LEU 43 12.858 9.891 1.275 344 H ASN 44 HN ASN 44 8.726 10.491 -2.533 345 HA ASN 44 HA ASN 44 9.329 12.999 -1.226 346 1HB ASN 44 HB2 ASN 44 8.496 12.173 -3.986 347 2HB ASN 44 HB1 ASN 44 8.430 13.880 -3.542 348 1HD2 ASN 44 HD22 ASN 44 12.162 12.221 -3.102 349 2HD2 ASN 44 HD21 ASN 44 10.813 11.427 -2.445 350 H LYS 45 HN LYS 45 6.340 11.398 -2.217 351 HA LYS 45 HA LYS 45 4.745 13.768 -1.470 352 1HB LYS 45 HB2 LYS 45 4.307 11.299 -2.992 353 2HB LYS 45 HB1 LYS 45 2.958 11.710 -1.931 354 1HG LYS 45 HG2 LYS 45 2.688 13.854 -2.932 355 2HG LYS 45 HG1 LYS 45 4.245 13.747 -3.755 356 1HD LYS 45 HD2 LYS 45 3.454 12.140 -5.296 357 2HD LYS 45 HD1 LYS 45 2.049 11.755 -4.302 358 1HE LYS 45 HE2 LYS 45 0.984 13.820 -4.823 359 2HE LYS 45 HE1 LYS 45 2.467 14.503 -5.488 360 1HZ LYS 45 HZ1 LYS 45 2.223 12.385 -7.036 361 2HZ LYS 45 HZ3 LYS 45 0.582 12.630 -6.685 362 3HZ LYS 45 HZ2 LYS 45 1.490 13.871 -7.408 363 H LEU 46 HN LEU 46 5.681 10.686 -0.099 364 HA LEU 46 HA LEU 46 3.648 10.309 1.817 365 1HB LEU 46 HB2 LEU 46 6.369 9.381 1.421 366 2HB LEU 46 HB1 LEU 46 6.090 9.711 3.123 367 HG LEU 46 HG LEU 46 5.547 7.366 2.507 368 1HD1 LEU 46 HD13 LEU 46 3.814 9.253 3.857 369 2HD1 LEU 46 HD12 LEU 46 2.876 7.940 3.147 370 3HD1 LEU 46 HD11 LEU 46 4.183 7.581 4.270 371 1HD2 LEU 46 HD21 LEU 46 4.235 8.628 0.295 372 2HD2 LEU 46 HD23 LEU 46 4.415 6.908 0.622 373 3HD2 LEU 46 HD22 LEU 46 3.018 7.779 1.244 374 H GLN 47 HN GLN 47 6.345 12.561 1.741 375 HA GLN 47 HA GLN 47 6.450 13.400 4.420 376 1HB GLN 47 HB2 GLN 47 7.253 14.461 1.836 377 2HB GLN 47 HB1 GLN 47 6.694 15.750 2.903 378 1HG GLN 47 HG2 GLN 47 8.208 14.930 4.678 379 2HG GLN 47 HG1 GLN 47 8.784 13.665 3.593 380 1HE2 GLN 47 HE22 GLN 47 10.720 15.912 1.581 381 2HE2 GLN 47 HE21 GLN 47 9.917 14.415 1.569 382 H ALA 48 HN ALA 48 3.950 13.844 2.070 383 HA ALA 48 HA ALA 48 2.622 16.140 2.864 384 1HB ALA 48 HB1 ALA 48 1.845 14.527 1.093 385 2HB ALA 48 HB3 ALA 48 1.244 13.482 2.382 386 3HB ALA 48 HB2 ALA 48 0.555 15.090 2.155 387 H GLY 49 HN GLY 49 2.027 12.901 4.282 388 1HA GLY 49 HA2 GLY 49 1.919 12.469 6.656 389 2HA GLY 49 HA1 GLY 49 1.727 14.199 6.939 390 H GLY 50 HN GLY 50 -0.025 11.831 4.918 391 1HA GLY 50 HA2 GLY 50 -2.464 12.330 6.508 392 2HA GLY 50 HA1 GLY 50 -2.526 12.779 4.804 393 OH TYR 51 OH TYR 51 0.123 12.489 -1.014 394 H TYR 51 HN TYR 51 -1.054 10.714 3.667 395 HA TYR 51 HA TYR 51 -2.930 8.700 3.274 396 1HB TYR 51 HB2 TYR 51 0.008 8.087 3.226 397 2HB TYR 51 HB1 TYR 51 -1.258 7.459 2.184 398 HD1 TYR 51 HD2 TYR 51 -2.732 9.734 1.237 399 HD2 TYR 51 HD1 TYR 51 1.477 9.361 1.987 400 HE1 TYR 51 HE2 TYR 51 -2.273 11.555 -0.380 401 HE2 TYR 51 HE1 TYR 51 1.938 11.166 0.367 402 HH TYR 51 HH TYR 51 -0.043 13.328 -0.579 403 H GLY 52 HN GLY 52 -3.857 7.971 5.226 404 1HA GLY 52 HA2 GLY 52 -2.147 6.800 7.279 405 2HA GLY 52 HA1 GLY 52 -3.900 6.701 7.238 406 H PHE 53 HN PHE 53 -2.365 5.974 4.300 407 HA PHE 53 HA PHE 53 -1.894 3.134 4.710 408 1HB PHE 53 HB2 PHE 53 -4.524 3.843 4.488 409 2HB PHE 53 HB1 PHE 53 -4.095 3.549 2.815 410 HD1 PHE 53 HD2 PHE 53 -4.427 2.064 6.159 411 HD2 PHE 53 HD1 PHE 53 -3.453 1.315 2.059 412 HE1 PHE 53 HE2 PHE 53 -4.711 -0.350 6.527 413 HE2 PHE 53 HE1 PHE 53 -3.768 -1.088 2.406 414 HZ PHE 53 HZ PHE 53 -4.375 -1.951 4.659 415 H VAL 54 HN VAL 54 -1.003 2.197 2.731 416 HA VAL 54 HA VAL 54 -0.803 4.025 0.392 417 HB VAL 54 HB VAL 54 1.633 2.794 1.683 418 1HG1 VAL 54 HG11 VAL 54 1.154 3.892 -0.887 419 2HG1 VAL 54 HG13 VAL 54 2.123 5.070 -0.002 420 3HG1 VAL 54 HG12 VAL 54 2.703 3.416 -0.194 421 1HG2 VAL 54 HG22 VAL 54 0.503 5.595 1.868 422 2HG2 VAL 54 HG21 VAL 54 0.827 4.483 3.198 423 3HG2 VAL 54 HG23 VAL 54 2.166 5.194 2.295 424 H ILE 55 HN ILE 55 -1.645 2.702 -1.155 425 HA ILE 55 HA ILE 55 -0.967 -0.196 -1.192 426 HB ILE 55 HB ILE 55 -2.605 1.298 -3.257 427 1HG1 ILE 55 HG12 ILE 55 -3.437 0.351 -0.503 428 2HG1 ILE 55 HG11 ILE 55 -3.556 1.983 -1.160 429 1HG2 ILE 55 HG21 ILE 55 -1.891 -1.146 -3.504 430 2HG2 ILE 55 HG23 ILE 55 -2.948 -1.490 -2.137 431 3HG2 ILE 55 HG22 ILE 55 -3.619 -0.829 -3.628 432 1HD1 ILE 55 HD11 ILE 55 -5.078 0.988 -2.963 433 2HD1 ILE 55 HD13 ILE 55 -5.146 -0.459 -1.957 434 3HD1 ILE 55 HD12 ILE 55 -5.751 1.076 -1.336 435 H SER 56 HN SER 56 1.302 0.001 -1.753 436 HA SER 56 HA SER 56 1.913 1.290 -4.377 437 1HB SER 56 HB2 SER 56 4.133 1.514 -3.642 438 2HB SER 56 HB1 SER 56 3.199 1.796 -2.176 439 HG SER 56 HG SER 56 4.347 -0.672 -2.999 440 H ASP 57 HN ASP 57 3.388 0.127 -5.838 441 HA ASP 57 HA ASP 57 2.610 -2.651 -6.165 442 1HB ASP 57 HB2 ASP 57 4.423 -2.540 -8.002 443 2HB ASP 57 HB1 ASP 57 3.021 -1.489 -8.191 444 CH2 TRP 58 CH2 TRP 58 10.387 -5.689 -1.349 445 H TRP 58 HN TRP 58 5.984 -1.879 -6.614 446 HA TRP 58 HA TRP 58 6.734 -3.184 -4.114 447 1HB TRP 58 HB2 TRP 58 6.413 -5.105 -5.569 448 2HB TRP 58 HB1 TRP 58 7.412 -4.368 -6.809 449 HD1 TRP 58 HD1 TRP 58 9.314 -6.026 -6.942 450 HE1 TRP 58 HE1 TRP 58 11.110 -6.910 -5.328 451 HE3 TRP 58 HE3 TRP 58 7.648 -4.073 -2.484 452 HZ2 TRP 58 HZ2 TRP 58 11.750 -6.828 -2.556 453 HZ3 TRP 58 HZ3 TRP 58 8.870 -4.502 -0.407 454 HH2 TRP 58 HH2 TRP 58 10.917 -5.873 -0.430 455 H ASN 59 HN ASN 59 7.205 -0.971 -6.506 456 HA ASN 59 HA ASN 59 8.976 0.468 -7.094 457 1HB ASN 59 HB2 ASN 59 9.712 0.226 -4.188 458 2HB ASN 59 HB1 ASN 59 9.810 1.640 -5.232 459 1HD2 ASN 59 HD22 ASN 59 6.261 0.675 -3.456 460 2HD2 ASN 59 HD21 ASN 59 7.585 -0.382 -3.357 461 H MET 60 HN MET 60 10.457 -0.581 -8.372 462 HA MET 60 HA MET 60 12.758 -1.849 -6.952 463 1HB MET 60 HB2 MET 60 11.019 -3.256 -8.447 464 2HB MET 60 HB1 MET 60 12.138 -2.742 -9.708 465 1HG MET 60 HG2 MET 60 14.002 -3.536 -8.090 466 2HG MET 60 HG1 MET 60 12.708 -4.395 -7.252 467 1HE MET 60 HE2 MET 60 14.904 -3.958 -10.260 468 2HE MET 60 HE1 MET 60 15.477 -5.243 -9.199 469 3HE MET 60 HE3 MET 60 14.996 -5.611 -10.861 470 HA PRO 61 HA PRO 61 13.951 1.188 -10.612 471 1HB PRO 61 HB2 PRO 61 14.300 3.462 -8.885 472 2HB PRO 61 HB1 PRO 61 13.220 3.320 -10.278 473 1HG PRO 61 HG2 PRO 61 12.517 3.328 -7.468 474 2HG PRO 61 HG1 PRO 61 11.439 3.293 -8.869 475 1HD PRO 61 HD2 PRO 61 11.969 1.158 -7.060 476 2HD PRO 61 HD1 PRO 61 11.022 1.101 -8.566 477 H ASN 62 HN ASN 62 14.884 2.085 -7.288 478 HA ASN 62 HA ASN 62 17.443 0.646 -7.533 479 1HB ASN 62 HB2 ASN 62 17.598 3.558 -6.798 480 2HB ASN 62 HB1 ASN 62 18.861 2.503 -7.436 481 1HD2 ASN 62 HD22 ASN 62 16.428 4.518 -9.996 482 2HD2 ASN 62 HD21 ASN 62 16.212 4.628 -8.316 483 H MET 63 HN MET 63 18.286 2.667 -5.276 484 HA MET 63 HA MET 63 17.529 1.022 -3.072 485 1HB MET 63 HB2 MET 63 18.451 3.911 -3.168 486 2HB MET 63 HB1 MET 63 18.262 2.995 -1.673 487 1HG MET 63 HG2 MET 63 19.802 1.546 -3.700 488 2HG MET 63 HG1 MET 63 20.555 3.071 -3.233 489 1HE MET 63 HE2 MET 63 22.046 1.020 -3.059 490 2HE MET 63 HE1 MET 63 22.695 0.808 -1.434 491 3HE MET 63 HE3 MET 63 21.598 -0.401 -2.117 492 H ASP 64 HN ASP 64 15.237 0.728 -3.235 493 HA ASP 64 HA ASP 64 13.673 2.796 -1.883 494 1HB ASP 64 HB2 ASP 64 13.175 2.104 -4.791 495 2HB ASP 64 HB1 ASP 64 11.934 2.811 -3.758 496 H GLY 65 HN GLY 65 11.137 1.864 -2.388 497 1HA GLY 65 HA2 GLY 65 9.659 0.157 -1.753 498 2HA GLY 65 HA1 GLY 65 10.800 -0.943 -2.508 499 H LEU 66 HN LEU 66 12.670 -1.656 -1.166 500 HA LEU 66 HA LEU 66 11.937 -2.680 1.327 501 1HB LEU 66 HB2 LEU 66 14.264 -2.673 -0.249 502 2HB LEU 66 HB1 LEU 66 14.774 -1.987 1.290 503 HG LEU 66 HG LEU 66 15.067 -4.372 1.429 504 1HD1 LEU 66 HD11 LEU 66 13.525 -2.947 3.219 505 2HD1 LEU 66 HD13 LEU 66 12.506 -4.345 2.877 506 3HD1 LEU 66 HD12 LEU 66 14.143 -4.576 3.492 507 1HD2 LEU 66 HD22 LEU 66 12.630 -4.357 -0.142 508 2HD2 LEU 66 HD21 LEU 66 13.813 -5.647 0.067 509 3HD2 LEU 66 HD23 LEU 66 12.495 -5.464 1.225 510 H GLU 67 HN GLU 67 14.292 -0.015 0.999 511 HA GLU 67 HA GLU 67 14.051 0.874 3.691 512 1HB GLU 67 HB2 GLU 67 15.867 1.429 1.953 513 2HB GLU 67 HB1 GLU 67 14.754 2.660 1.355 514 1HG GLU 67 HG2 GLU 67 14.714 3.082 4.092 515 2HG GLU 67 HG1 GLU 67 16.398 2.661 3.785 516 H LEU 68 HN LEU 68 11.847 1.104 1.147 517 HA LEU 68 HA LEU 68 10.688 3.683 1.736 518 1HB LEU 68 HB2 LEU 68 10.446 1.912 -0.291 519 2HB LEU 68 HB1 LEU 68 8.969 1.557 0.584 520 HG LEU 68 HG LEU 68 8.722 4.187 0.610 521 1HD1 LEU 68 HD13 LEU 68 10.490 3.668 -1.806 522 2HD1 LEU 68 HD12 LEU 68 9.663 5.184 -1.456 523 3HD1 LEU 68 HD11 LEU 68 10.941 4.610 -0.387 524 1HD2 LEU 68 HD23 LEU 68 7.204 2.551 -0.516 525 2HD2 LEU 68 HD22 LEU 68 7.417 4.022 -1.457 526 3HD2 LEU 68 HD21 LEU 68 8.280 2.554 -1.914 527 H LEU 69 HN LEU 69 9.642 0.348 2.531 528 HA LEU 69 HA LEU 69 7.586 1.373 4.324 529 1HB LEU 69 HB2 LEU 69 6.714 -0.681 4.118 530 2HB LEU 69 HB1 LEU 69 7.985 -0.990 2.951 531 HG LEU 69 HG LEU 69 9.451 -1.731 4.917 532 1HD1 LEU 69 HD13 LEU 69 7.006 -0.983 6.356 533 2HD1 LEU 69 HD12 LEU 69 7.441 -2.667 6.653 534 3HD1 LEU 69 HD11 LEU 69 8.593 -1.387 7.002 535 1HD2 LEU 69 HD22 LEU 69 7.246 -3.101 3.575 536 2HD2 LEU 69 HD21 LEU 69 8.876 -3.667 3.914 537 3HD2 LEU 69 HD23 LEU 69 7.620 -3.826 5.139 538 H LYS 70 HN LYS 70 10.890 0.334 4.594 539 HA LYS 70 HA LYS 70 10.989 -0.235 7.380 540 1HB LYS 70 HB2 LYS 70 12.837 -0.552 5.626 541 2HB LYS 70 HB1 LYS 70 13.189 1.162 5.853 542 1HG LYS 70 HG2 LYS 70 13.470 0.747 8.298 543 2HG LYS 70 HG1 LYS 70 13.219 -0.975 8.007 544 1HD LYS 70 HD2 LYS 70 15.324 0.449 6.414 545 2HD LYS 70 HD1 LYS 70 15.670 0.035 8.092 546 1HE LYS 70 HE2 LYS 70 15.186 -2.312 7.663 547 2HE LYS 70 HE1 LYS 70 14.683 -1.940 6.013 548 1HZ LYS 70 HZ3 LYS 70 17.324 -1.005 6.756 549 2HZ LYS 70 HZ2 LYS 70 17.150 -2.694 6.678 550 3HZ LYS 70 HZ1 LYS 70 16.793 -1.736 5.321 551 H THR 71 HN THR 71 11.902 2.837 5.753 552 HA THR 71 HA THR 71 12.158 4.364 8.117 553 HB THR 71 HB THR 71 11.004 5.910 5.930 554 HG1 THR 71 HG1 THR 71 11.769 4.182 4.693 555 1HG2 THR 71 HG23 THR 71 12.458 6.809 7.707 556 2HG2 THR 71 HG22 THR 71 13.775 5.775 7.152 557 3HG2 THR 71 HG21 THR 71 13.171 7.067 6.115 558 H ILE 72 HN ILE 72 9.269 3.455 6.312 559 HA ILE 72 HA ILE 72 7.516 5.310 7.682 560 HB ILE 72 HB ILE 72 7.047 2.818 6.045 561 1HG1 ILE 72 HG12 ILE 72 6.202 5.693 5.591 562 2HG1 ILE 72 HG11 ILE 72 7.722 5.032 4.990 563 1HG2 ILE 72 HG23 ILE 72 5.099 4.467 7.645 564 2HG2 ILE 72 HG22 ILE 72 4.585 3.631 6.181 565 3HG2 ILE 72 HG21 ILE 72 5.230 2.712 7.540 566 1HD1 ILE 72 HD12 ILE 72 6.406 3.254 3.799 567 2HD1 ILE 72 HD11 ILE 72 4.930 4.076 4.296 568 3HD1 ILE 72 HD13 ILE 72 6.068 4.878 3.216 569 NH1 ARG 73 NH2 ARG 73 8.855 -2.433 12.415 570 NH2 ARG 73 NH1 ARG 73 10.691 -3.494 13.198 571 H ARG 73 HN ARG 73 8.889 2.222 8.489 572 HA ARG 73 HA ARG 73 6.878 1.745 10.597 573 1HB ARG 73 HB2 ARG 73 7.587 -0.418 10.589 574 2HB ARG 73 HB1 ARG 73 8.344 0.018 9.060 575 1HG ARG 73 HG2 ARG 73 10.414 0.669 10.394 576 2HG ARG 73 HG1 ARG 73 9.644 -0.078 11.798 577 1HD ARG 73 HD2 ARG 73 9.324 -2.033 9.913 578 2HD ARG 73 HD1 ARG 73 10.872 -1.340 9.432 579 HE ARG 73 HE ARG 73 11.820 -2.239 11.397 580 1HH1 ARG 73 HH21 ARG 73 8.424 -1.825 11.749 581 2HH1 ARG 73 HH22 ARG 73 8.308 -2.839 13.148 582 1HH2 ARG 73 HH11 ARG 73 11.667 -3.698 13.132 583 2HH2 ARG 73 HH12 ARG 73 10.143 -3.900 13.930 584 H ALA 74 HN ALA 74 10.182 2.897 10.253 585 HA ALA 74 HA ALA 74 10.806 2.798 13.077 586 1HB ALA 74 HB3 ALA 74 12.122 3.605 10.646 587 2HB ALA 74 HB2 ALA 74 12.294 4.879 11.855 588 3HB ALA 74 HB1 ALA 74 12.839 3.241 12.216 589 H ASP 75 HN ASP 75 10.133 5.569 10.942 590 HA ASP 75 HA ASP 75 9.426 7.751 11.513 591 1HB ASP 75 HB2 ASP 75 7.178 7.753 12.418 592 2HB ASP 75 HB1 ASP 75 7.337 6.369 11.335 593 H GLY 76 HN GLY 76 7.845 8.093 14.114 594 1HA GLY 76 HA2 GLY 76 9.854 7.750 16.213 595 2HA GLY 76 HA1 GLY 76 9.641 9.425 15.701 596 H ALA 77 HN ALA 77 6.719 8.536 15.067 597 HA ALA 77 HA ALA 77 5.641 8.214 17.793 598 1HB ALA 77 HB3 ALA 77 6.075 10.721 17.296 599 2HB ALA 77 HB2 ALA 77 4.726 10.587 16.168 600 3HB ALA 77 HB1 ALA 77 4.476 10.269 17.885 601 H MET 78 HN MET 78 5.494 7.752 14.469 602 HA MET 78 HA MET 78 2.569 7.242 14.447 603 1HB MET 78 HB2 MET 78 4.417 6.810 12.108 604 2HB MET 78 HB1 MET 78 2.702 7.220 12.100 605 1HG MET 78 HG2 MET 78 4.983 9.031 12.946 606 2HG MET 78 HG1 MET 78 3.999 9.192 11.492 607 1HE MET 78 HE3 MET 78 3.265 11.499 11.801 608 2HE MET 78 HE2 MET 78 2.635 12.219 13.280 609 3HE MET 78 HE1 MET 78 4.307 11.666 13.221 610 H SER 79 HN SER 79 5.298 5.471 13.008 611 HA SER 79 HA SER 79 5.610 3.141 12.803 612 1HB SER 79 HB2 SER 79 6.553 3.347 14.980 613 2HB SER 79 HB1 SER 79 4.974 3.581 15.725 614 HG SER 79 HG SER 79 4.967 1.502 15.974 615 H ALA 80 HN ALA 80 3.058 3.850 11.871 616 HA ALA 80 HA ALA 80 1.586 1.375 12.523 617 1HB ALA 80 HB3 ALA 80 0.664 4.125 13.205 618 2HB ALA 80 HB2 ALA 80 -0.537 2.996 12.575 619 3HB ALA 80 HB1 ALA 80 0.364 2.599 14.038 620 H LEU 81 HN LEU 81 1.386 4.435 10.710 621 HA LEU 81 HA LEU 81 -0.315 4.135 8.712 622 1HB LEU 81 HB2 LEU 81 2.564 4.664 8.019 623 2HB LEU 81 HB1 LEU 81 1.129 5.281 7.214 624 HG LEU 81 HG LEU 81 2.256 6.063 9.895 625 1HD1 LEU 81 HD13 LEU 81 2.754 7.212 7.635 626 2HD1 LEU 81 HD12 LEU 81 1.091 7.793 7.715 627 3HD1 LEU 81 HD11 LEU 81 2.243 8.241 8.972 628 1HD2 LEU 81 HD22 LEU 81 -0.592 6.414 8.911 629 2HD2 LEU 81 HD21 LEU 81 -0.071 5.698 10.433 630 3HD2 LEU 81 HD23 LEU 81 0.115 7.428 10.161 631 HA PRO 82 HA PRO 82 0.800 -0.161 7.507 632 1HB PRO 82 HB2 PRO 82 -1.787 -0.304 6.236 633 2HB PRO 82 HB1 PRO 82 -1.217 -1.176 7.647 634 1HG PRO 82 HG2 PRO 82 -3.115 0.917 7.623 635 2HG PRO 82 HG1 PRO 82 -2.380 0.187 9.048 636 1HD PRO 82 HD2 PRO 82 -1.891 2.791 7.879 637 2HD PRO 82 HD1 PRO 82 -1.332 2.161 9.434 638 H VAL 83 HN VAL 83 1.897 -0.619 5.721 639 HA VAL 83 HA VAL 83 1.196 0.725 3.136 640 HB VAL 83 HB VAL 83 3.792 -0.157 4.347 641 1HG1 VAL 83 HG12 VAL 83 3.064 -0.569 1.427 642 2HG1 VAL 83 HG11 VAL 83 4.717 -0.228 1.911 643 3HG1 VAL 83 HG13 VAL 83 3.918 -1.672 2.511 644 1HG2 VAL 83 HG23 VAL 83 2.800 2.254 3.641 645 2HG2 VAL 83 HG22 VAL 83 4.521 1.879 3.664 646 3HG2 VAL 83 HG21 VAL 83 3.633 1.808 2.148 647 H LEU 84 HN LEU 84 -0.045 -0.697 1.965 648 HA LEU 84 HA LEU 84 0.467 -3.562 2.411 649 1HB LEU 84 HB2 LEU 84 -1.887 -2.378 2.197 650 2HB LEU 84 HB1 LEU 84 -1.601 -2.596 0.486 651 HG LEU 84 HG LEU 84 -2.768 -4.531 1.071 652 1HD1 LEU 84 HD13 LEU 84 -0.472 -5.031 0.007 653 2HD1 LEU 84 HD12 LEU 84 0.008 -5.591 1.605 654 3HD1 LEU 84 HD11 LEU 84 -1.323 -6.366 0.762 655 1HD2 LEU 84 HD23 LEU 84 -2.606 -4.095 3.563 656 2HD2 LEU 84 HD22 LEU 84 -2.504 -5.792 3.107 657 3HD2 LEU 84 HD21 LEU 84 -1.044 -4.909 3.534 658 H MET 85 HN MET 85 2.162 -4.233 1.317 659 HA MET 85 HA MET 85 2.923 -2.987 -1.192 660 1HB MET 85 HB2 MET 85 4.510 -3.821 0.591 661 2HB MET 85 HB1 MET 85 4.073 -5.463 0.123 662 1HG MET 85 HG2 MET 85 6.078 -4.870 -1.061 663 2HG MET 85 HG1 MET 85 4.758 -4.901 -2.227 664 1HE MET 85 HE1 MET 85 6.944 -3.030 0.072 665 2HE MET 85 HE3 MET 85 7.097 -1.384 -0.550 666 3HE MET 85 HE2 MET 85 5.712 -1.828 0.441 667 H VAL 86 HN VAL 86 1.539 -3.545 -2.912 668 HA VAL 86 HA VAL 86 0.777 -6.390 -3.231 669 HB VAL 86 HB VAL 86 -1.058 -5.669 -4.391 670 1HG1 VAL 86 HG13 VAL 86 -0.785 -4.363 -2.168 671 2HG1 VAL 86 HG12 VAL 86 -0.487 -2.978 -3.207 672 3HG1 VAL 86 HG11 VAL 86 -2.023 -3.837 -3.301 673 1HG2 VAL 86 HG21 VAL 86 0.619 -3.363 -5.357 674 2HG2 VAL 86 HG23 VAL 86 0.026 -4.714 -6.316 675 3HG2 VAL 86 HG22 VAL 86 -1.098 -3.508 -5.699 676 H THR 87 HN THR 87 1.259 -7.539 -5.148 677 HA THR 87 HA THR 87 2.974 -6.197 -7.153 678 HB THR 87 HB THR 87 4.362 -7.216 -5.159 679 HG1 THR 87 HG1 THR 87 5.915 -7.071 -6.563 680 1HG2 THR 87 HG23 THR 87 3.049 -9.433 -5.506 681 2HG2 THR 87 HG22 THR 87 4.130 -9.678 -6.878 682 3HG2 THR 87 HG21 THR 87 4.790 -9.524 -5.249 683 H ALA 88 HN ALA 88 3.332 -7.585 -9.070 684 HA ALA 88 HA ALA 88 0.983 -9.311 -9.531 685 1HB ALA 88 HB1 ALA 88 3.089 -8.077 -11.296 686 2HB ALA 88 HB3 ALA 88 2.066 -9.380 -11.903 687 3HB ALA 88 HB2 ALA 88 1.339 -7.869 -11.354 688 H GLU 89 HN GLU 89 1.095 -11.504 -9.496 689 HA GLU 89 HA GLU 89 2.028 -13.635 -9.166 690 1HB GLU 89 HB2 GLU 89 4.180 -12.623 -11.038 691 2HB GLU 89 HB1 GLU 89 3.633 -14.286 -10.827 692 1HG GLU 89 HG2 GLU 89 1.305 -13.378 -11.542 693 2HG GLU 89 HG1 GLU 89 2.205 -11.992 -12.158 694 H ALA 90 HN ALA 90 2.592 -12.856 -6.920 695 HA ALA 90 HA ALA 90 5.005 -11.778 -6.065 696 1HB ALA 90 HB2 ALA 90 2.886 -13.015 -4.845 697 2HB ALA 90 HB1 ALA 90 4.197 -14.144 -4.516 698 3HB ALA 90 HB3 ALA 90 4.335 -12.460 -4.009 699 H LYS 91 HN LYS 91 7.083 -12.367 -6.531 700 HA LYS 91 HA LYS 91 7.711 -14.879 -7.797 701 1HB LYS 91 HB2 LYS 91 9.046 -12.412 -7.287 702 2HB LYS 91 HB1 LYS 91 10.067 -13.706 -6.660 703 1HG LYS 91 HG2 LYS 91 9.840 -14.901 -8.834 704 2HG LYS 91 HG1 LYS 91 8.907 -13.540 -9.456 705 1HD LYS 91 HD2 LYS 91 10.753 -12.095 -9.437 706 2HD LYS 91 HD1 LYS 91 11.632 -13.076 -8.265 707 1HE LYS 91 HE2 LYS 91 12.559 -13.287 -10.571 708 2HE LYS 91 HE1 LYS 91 11.982 -14.825 -9.930 709 1HZ LYS 91 HZ3 LYS 91 9.774 -13.995 -11.080 710 2HZ LYS 91 HZ2 LYS 91 10.881 -13.165 -12.065 711 3HZ LYS 91 HZ1 LYS 91 10.959 -14.857 -11.934 712 H LYS 92 HN LYS 92 9.327 -13.745 -4.821 713 HA LYS 92 HA LYS 92 8.430 -15.938 -3.188 714 1HB LYS 92 HB2 LYS 92 10.070 -16.948 -5.015 715 2HB LYS 92 HB1 LYS 92 11.311 -16.290 -3.952 716 1HG LYS 92 HG2 LYS 92 10.075 -17.482 -2.040 717 2HG LYS 92 HG1 LYS 92 9.202 -18.351 -3.302 718 1HD LYS 92 HD2 LYS 92 11.842 -18.554 -4.125 719 2HD LYS 92 HD1 LYS 92 11.961 -18.699 -2.372 720 1HE LYS 92 HE2 LYS 92 11.610 -20.918 -3.160 721 2HE LYS 92 HE1 LYS 92 10.044 -20.397 -2.539 722 1HZ LYS 92 HZ3 LYS 92 10.730 -19.965 -5.370 723 2HZ LYS 92 HZ2 LYS 92 10.178 -21.486 -4.853 724 3HZ LYS 92 HZ1 LYS 92 9.202 -20.110 -4.649 725 H GLU 93 HN GLU 93 11.672 -14.473 -3.583 726 HA GLU 93 HA GLU 93 11.874 -13.866 -0.797 727 1HB GLU 93 HB2 GLU 93 13.461 -12.903 -3.186 728 2HB GLU 93 HB1 GLU 93 13.885 -12.530 -1.515 729 1HG GLU 93 HG2 GLU 93 13.378 -15.362 -1.801 730 2HG GLU 93 HG1 GLU 93 14.594 -14.841 -2.967 731 H ASN 94 HN ASN 94 10.879 -11.996 -3.633 732 HA ASN 94 HA ASN 94 10.934 -9.413 -2.556 733 1HB ASN 94 HB2 ASN 94 9.069 -10.727 -4.511 734 2HB ASN 94 HB1 ASN 94 8.898 -9.035 -4.075 735 1HD2 ASN 94 HD22 ASN 94 11.463 -9.848 -6.930 736 2HD2 ASN 94 HD21 ASN 94 10.074 -10.742 -6.537 737 H ILE 95 HN ILE 95 8.573 -11.997 -2.040 738 HA ILE 95 HA ILE 95 6.641 -10.368 -0.657 739 HB ILE 95 HB ILE 95 7.247 -13.334 -0.550 740 1HG1 ILE 95 HG12 ILE 95 4.838 -11.844 -1.633 741 2HG1 ILE 95 HG11 ILE 95 6.227 -12.288 -2.628 742 1HG2 ILE 95 HG23 ILE 95 5.236 -11.666 0.960 743 2HG2 ILE 95 HG22 ILE 95 4.912 -13.359 0.592 744 3HG2 ILE 95 HG21 ILE 95 6.307 -12.923 1.577 745 1HD1 ILE 95 HD12 ILE 95 5.181 -14.501 -0.996 746 2HD1 ILE 95 HD11 ILE 95 4.036 -13.898 -2.193 747 3HD1 ILE 95 HD13 ILE 95 5.623 -14.475 -2.701 748 H ILE 96 HN ILE 96 9.140 -12.609 0.575 749 HA ILE 96 HA ILE 96 8.846 -11.737 3.309 750 HB ILE 96 HB ILE 96 11.185 -13.117 1.952 751 1HG1 ILE 96 HG12 ILE 96 8.942 -14.328 3.591 752 2HG1 ILE 96 HG11 ILE 96 8.928 -14.273 1.829 753 1HG2 ILE 96 HG21 ILE 96 10.663 -12.216 4.701 754 2HG2 ILE 96 HG23 ILE 96 11.095 -13.921 4.590 755 3HG2 ILE 96 HG22 ILE 96 12.182 -12.692 3.944 756 1HD1 ILE 96 HD12 ILE 96 11.142 -15.527 3.476 757 2HD1 ILE 96 HD11 ILE 96 9.820 -16.431 2.736 758 3HD1 ILE 96 HD13 ILE 96 10.978 -15.574 1.720 759 H ALA 97 HN ALA 97 10.341 -10.369 0.564 760 HA ALA 97 HA ALA 97 12.501 -8.970 1.848 761 1HB ALA 97 HB3 ALA 97 12.309 -9.298 -0.622 762 2HB ALA 97 HB2 ALA 97 10.959 -8.167 -0.626 763 3HB ALA 97 HB1 ALA 97 12.567 -7.612 -0.175 764 H ALA 98 HN ALA 98 9.250 -7.844 0.855 765 HA ALA 98 HA ALA 98 9.520 -5.322 2.248 766 1HB ALA 98 HB2 ALA 98 7.683 -6.329 0.463 767 2HB ALA 98 HB1 ALA 98 6.785 -6.394 1.980 768 3HB ALA 98 HB3 ALA 98 7.450 -4.863 1.414 769 H ALA 99 HN ALA 99 7.928 -8.405 3.006 770 HA ALA 99 HA ALA 99 6.972 -7.595 5.544 771 1HB ALA 99 HB1 ALA 99 6.572 -9.785 4.036 772 2HB ALA 99 HB3 ALA 99 7.761 -10.444 5.159 773 3HB ALA 99 HB2 ALA 99 6.251 -9.767 5.771 774 H GLN 100 HN GLN 100 10.150 -8.711 4.466 775 HA GLN 100 HA GLN 100 11.262 -9.561 6.927 776 1HB GLN 100 HB2 GLN 100 12.323 -8.486 4.413 777 2HB GLN 100 HB1 GLN 100 13.272 -7.979 5.805 778 1HG GLN 100 HG2 GLN 100 12.450 -10.854 5.372 779 2HG GLN 100 HG1 GLN 100 13.960 -10.197 4.741 780 1HE2 GLN 100 HE22 GLN 100 14.011 -11.478 8.463 781 2HE2 GLN 100 HE21 GLN 100 12.983 -12.029 7.229 782 H ALA 101 HN ALA 101 10.429 -6.440 5.669 783 HA ALA 101 HA ALA 101 11.488 -5.016 8.038 784 1HB ALA 101 HB2 ALA 101 10.615 -4.303 5.340 785 2HB ALA 101 HB1 ALA 101 9.863 -3.283 6.562 786 3HB ALA 101 HB3 ALA 101 11.618 -3.381 6.460 787 H GLY 102 HN GLY 102 8.658 -6.468 6.756 788 1HA GLY 102 HA2 GLY 102 6.605 -6.954 7.717 789 2HA GLY 102 HA1 GLY 102 7.272 -6.373 9.228 790 H ALA 103 HN ALA 103 5.798 -5.196 6.162 791 HA ALA 103 HA ALA 103 5.229 -2.617 7.514 792 1HB ALA 103 HB1 ALA 103 4.589 -3.776 4.790 793 2HB ALA 103 HB3 ALA 103 4.010 -2.202 5.312 794 3HB ALA 103 HB2 ALA 103 5.712 -2.489 5.155 795 H SER 104 HN SER 104 2.833 -3.436 5.446 796 HA SER 104 HA SER 104 0.894 -3.984 7.641 797 1HB SER 104 HB2 SER 104 0.389 -3.478 4.702 798 2HB SER 104 HB1 SER 104 -0.845 -3.635 5.939 799 HG SER 104 HG SER 104 1.233 -1.704 5.893 800 H GLY 105 HN GLY 105 1.898 -5.206 4.531 801 1HA GLY 105 HA2 GLY 105 2.198 -7.893 4.982 802 2HA GLY 105 HA1 GLY 105 0.460 -7.729 4.763 803 OH TYR 106 OH TYR 106 1.331 -13.205 -3.146 804 H TYR 106 HN TYR 106 0.884 -9.060 2.750 805 HA TYR 106 HA TYR 106 1.472 -7.212 0.497 806 1HB TYR 106 HB2 TYR 106 3.374 -8.277 -0.079 807 2HB TYR 106 HB1 TYR 106 3.188 -9.381 1.284 808 HD1 TYR 106 HD2 TYR 106 1.989 -11.522 1.021 809 HD2 TYR 106 HD1 TYR 106 2.632 -8.912 -2.337 810 HE1 TYR 106 HE2 TYR 106 1.396 -13.360 -0.521 811 HE2 TYR 106 HE1 TYR 106 2.034 -10.760 -3.875 812 HH TYR 106 HH TYR 106 1.788 -13.998 -2.853 813 H VAL 107 HN VAL 107 0.406 -7.757 -1.433 814 HA VAL 107 HA VAL 107 -1.430 -10.099 -1.348 815 HB VAL 107 HB VAL 107 -2.788 -8.234 -0.526 816 1HG1 VAL 107 HG13 VAL 107 -1.178 -6.651 -2.076 817 2HG1 VAL 107 HG12 VAL 107 -2.654 -6.688 -3.030 818 3HG1 VAL 107 HG11 VAL 107 -2.696 -6.123 -1.363 819 1HG2 VAL 107 HG22 VAL 107 -3.779 -9.893 -2.120 820 2HG2 VAL 107 HG21 VAL 107 -4.563 -8.316 -2.191 821 3HG2 VAL 107 HG23 VAL 107 -3.418 -8.789 -3.443 822 H VAL 108 HN VAL 108 -1.284 -11.162 -3.255 823 HA VAL 108 HA VAL 108 0.323 -10.076 -5.395 824 HB VAL 108 HB VAL 108 0.462 -12.407 -5.237 825 1HG1 VAL 108 HG13 VAL 108 -2.471 -12.200 -4.675 826 2HG1 VAL 108 HG12 VAL 108 -1.853 -13.712 -5.339 827 3HG1 VAL 108 HG11 VAL 108 -1.226 -13.100 -3.809 828 1HG2 VAL 108 HG21 VAL 108 -0.198 -11.463 -7.581 829 2HG2 VAL 108 HG23 VAL 108 -0.260 -13.207 -7.330 830 3HG2 VAL 108 HG22 VAL 108 -1.745 -12.256 -7.285 831 H LYS 109 HN LYS 109 -0.458 -8.522 -6.745 832 HA LYS 109 HA LYS 109 -3.343 -8.291 -7.272 833 1HB LYS 109 HB2 LYS 109 -2.844 -6.104 -7.654 834 2HB LYS 109 HB1 LYS 109 -1.236 -6.494 -7.071 835 1HG LYS 109 HG2 LYS 109 -0.550 -7.059 -9.411 836 2HG LYS 109 HG1 LYS 109 -2.139 -6.529 -9.972 837 1HD LYS 109 HD2 LYS 109 -1.659 -4.310 -8.817 838 2HD LYS 109 HD1 LYS 109 0.007 -4.865 -8.652 839 1HE LYS 109 HE2 LYS 109 0.153 -3.771 -10.687 840 2HE LYS 109 HE1 LYS 109 -0.268 -5.392 -11.239 841 1HZ LYS 109 HZ1 LYS 109 -2.418 -3.507 -10.577 842 2HZ LYS 109 HZ3 LYS 109 -1.606 -3.332 -12.055 843 3HZ LYS 109 HZ2 LYS 109 -2.410 -4.785 -11.696 844 HA PRO 110 HA PRO 110 -4.293 -6.949 -9.202 845 1HB PRO 110 HB2 PRO 110 -6.275 -8.210 -10.840 846 2HB PRO 110 HB1 PRO 110 -5.355 -6.741 -11.197 847 1HG PRO 110 HG2 PRO 110 -5.096 -9.267 -12.491 848 2HG PRO 110 HG1 PRO 110 -4.059 -7.850 -12.710 849 1HD PRO 110 HD2 PRO 110 -3.497 -10.331 -11.247 850 2HD PRO 110 HD1 PRO 110 -2.375 -9.047 -11.743 851 H PHE 111 HN PHE 111 -5.406 -7.191 -7.285 852 HA PHE 111 HA PHE 111 -6.500 -9.856 -6.591 853 1HB PHE 111 HB2 PHE 111 -7.066 -8.597 -4.404 854 2HB PHE 111 HB1 PHE 111 -5.368 -8.901 -4.751 855 HD1 PHE 111 HD1 PHE 111 -8.077 -6.344 -5.103 856 HD2 PHE 111 HD2 PHE 111 -3.860 -7.111 -4.968 857 HE1 PHE 111 HE1 PHE 111 -7.618 -3.913 -5.151 858 HE2 PHE 111 HE2 PHE 111 -3.402 -4.680 -4.996 859 HZ PHE 111 HZ PHE 111 -5.290 -3.073 -5.089 860 H THR 112 HN THR 112 -8.661 -10.067 -5.850 861 HA THR 112 HA THR 112 -10.555 -8.280 -7.268 862 HB THR 112 HB THR 112 -11.630 -10.484 -5.614 863 HG1 THR 112 HG1 THR 112 -9.541 -11.229 -6.481 864 1HG2 THR 112 HG21 THR 112 -12.918 -9.154 -7.292 865 2HG2 THR 112 HG23 THR 112 -11.891 -9.822 -8.560 866 3HG2 THR 112 HG22 THR 112 -12.942 -10.886 -7.624 867 H ALA 113 HN ALA 113 -12.150 -7.079 -6.062 868 HA ALA 113 HA ALA 113 -11.342 -5.897 -3.673 869 1HB ALA 113 HB1 ALA 113 -13.413 -5.385 -5.216 870 2HB ALA 113 HB3 ALA 113 -14.271 -6.453 -4.108 871 3HB ALA 113 HB2 ALA 113 -13.501 -4.986 -3.500 872 H ALA 114 HN ALA 114 -12.760 -9.041 -4.145 873 HA ALA 114 HA ALA 114 -13.528 -9.451 -1.391 874 1HB ALA 114 HB2 ALA 114 -14.285 -10.848 -3.397 875 2HB ALA 114 HB1 ALA 114 -12.692 -11.605 -3.349 876 3HB ALA 114 HB3 ALA 114 -13.787 -11.764 -1.974 877 H THR 115 HN THR 115 -10.591 -10.059 -3.282 878 HA THR 115 HA THR 115 -9.169 -11.352 -1.131 879 HB THR 115 HB THR 115 -7.224 -10.148 -2.686 880 HG1 THR 115 HG1 THR 115 -8.304 -10.756 -4.822 881 1HG2 THR 115 HG22 THR 115 -8.713 -12.762 -2.961 882 2HG2 THR 115 HG21 THR 115 -7.289 -12.379 -3.928 883 3HG2 THR 115 HG23 THR 115 -7.163 -12.475 -2.170 884 H LEU 116 HN LEU 116 -8.586 -8.037 -2.520 885 HA LEU 116 HA LEU 116 -7.086 -7.095 -0.342 886 1HB LEU 116 HB2 LEU 116 -8.066 -5.958 -2.615 887 2HB LEU 116 HB1 LEU 116 -9.061 -5.164 -1.397 888 HG LEU 116 HG LEU 116 -6.884 -4.720 -0.118 889 1HD1 LEU 116 HD11 LEU 116 -5.825 -6.333 -2.156 890 2HD1 LEU 116 HD13 LEU 116 -5.290 -4.699 -2.545 891 3HD1 LEU 116 HD12 LEU 116 -4.913 -5.397 -0.972 892 1HD2 LEU 116 HD21 LEU 116 -8.158 -3.012 -1.456 893 2HD2 LEU 116 HD23 LEU 116 -6.424 -2.704 -1.389 894 3HD2 LEU 116 HD22 LEU 116 -7.139 -3.405 -2.838 895 H GLU 117 HN GLU 117 -10.631 -7.397 -0.600 896 HA GLU 117 HA GLU 117 -11.333 -5.919 1.695 897 1HB GLU 117 HB2 GLU 117 -13.136 -6.635 0.352 898 2HB GLU 117 HB1 GLU 117 -12.590 -8.311 0.385 899 1HG GLU 117 HG2 GLU 117 -13.363 -8.668 2.551 900 2HG GLU 117 HG1 GLU 117 -13.296 -6.955 2.963 901 H GLU 118 HN GLU 118 -11.024 -9.472 1.541 902 HA GLU 118 HA GLU 118 -11.187 -10.045 4.252 903 1HB GLU 118 HB2 GLU 118 -9.365 -11.289 2.172 904 2HB GLU 118 HB1 GLU 118 -9.618 -11.968 3.780 905 1HG GLU 118 HG2 GLU 118 -11.904 -12.406 3.365 906 2HG GLU 118 HG1 GLU 118 -11.945 -11.328 1.969 907 H LYS 119 HN LYS 119 -8.081 -9.531 2.544 908 HA LYS 119 HA LYS 119 -6.425 -9.394 4.799 909 1HB LYS 119 HB2 LYS 119 -6.314 -8.380 2.025 910 2HB LYS 119 HB1 LYS 119 -5.272 -7.533 3.169 911 1HG LYS 119 HG2 LYS 119 -4.190 -9.582 3.823 912 2HG LYS 119 HG1 LYS 119 -5.359 -10.550 2.926 913 1HD LYS 119 HD2 LYS 119 -4.559 -9.341 0.827 914 2HD LYS 119 HD1 LYS 119 -3.235 -8.709 1.806 915 1HE LYS 119 HE2 LYS 119 -3.875 -11.640 1.360 916 2HE LYS 119 HE1 LYS 119 -2.527 -10.754 0.645 917 1HZ LYS 119 HZ1 LYS 119 -2.506 -10.348 3.420 918 2HZ LYS 119 HZ3 LYS 119 -2.630 -12.015 3.133 919 3HZ LYS 119 HZ2 LYS 119 -1.345 -11.132 2.459 920 H LEU 120 HN LEU 120 -8.684 -7.008 3.583 921 HA LEU 120 HA LEU 120 -7.667 -4.748 5.038 922 1HB LEU 120 HB2 LEU 120 -9.714 -5.180 3.213 923 2HB LEU 120 HB1 LEU 120 -10.597 -4.860 4.696 924 HG LEU 120 HG LEU 120 -10.202 -2.810 3.351 925 1HD1 LEU 120 HD12 LEU 120 -8.998 -3.079 6.085 926 2HD1 LEU 120 HD11 LEU 120 -8.977 -1.527 5.251 927 3HD1 LEU 120 HD13 LEU 120 -10.512 -2.318 5.609 928 1HD2 LEU 120 HD23 LEU 120 -7.705 -3.858 2.870 929 2HD2 LEU 120 HD22 LEU 120 -8.167 -2.182 2.572 930 3HD2 LEU 120 HD21 LEU 120 -7.354 -2.618 4.075 931 H ASN 121 HN ASN 121 -10.648 -6.596 5.789 932 HA ASN 121 HA ASN 121 -10.826 -5.643 8.456 933 1HB ASN 121 HB2 ASN 121 -12.032 -7.850 6.894 934 2HB ASN 121 HB1 ASN 121 -12.041 -8.066 8.644 935 1HD2 ASN 121 HD22 ASN 121 -14.654 -5.762 9.112 936 2HD2 ASN 121 HD21 ASN 121 -13.721 -7.031 9.743 937 H LYS 122 HN LYS 122 -8.913 -8.268 7.112 938 HA LYS 122 HA LYS 122 -8.337 -9.454 9.714 939 1HB LYS 122 HB2 LYS 122 -7.709 -10.022 6.932 940 2HB LYS 122 HB1 LYS 122 -6.287 -10.200 7.957 941 1HG LYS 122 HG2 LYS 122 -7.554 -11.670 9.475 942 2HG LYS 122 HG1 LYS 122 -8.985 -11.491 8.459 943 1HD LYS 122 HD2 LYS 122 -8.256 -13.245 7.249 944 2HD LYS 122 HD1 LYS 122 -6.914 -12.237 6.704 945 1HE LYS 122 HE2 LYS 122 -6.076 -14.322 7.711 946 2HE LYS 122 HE1 LYS 122 -5.599 -12.928 8.680 947 1HZ LYS 122 HZ2 LYS 122 -8.043 -14.506 9.235 948 2HZ LYS 122 HZ1 LYS 122 -6.540 -14.867 9.939 949 3HZ LYS 122 HZ3 LYS 122 -7.281 -13.373 10.245 950 H ILE 123 HN ILE 123 -7.013 -6.851 7.812 951 HA ILE 123 HA ILE 123 -4.503 -6.825 9.367 952 HB ILE 123 HB ILE 123 -5.590 -5.260 7.049 953 1HG1 ILE 123 HG12 ILE 123 -2.898 -6.575 7.507 954 2HG1 ILE 123 HG11 ILE 123 -4.287 -7.440 6.850 955 1HG2 ILE 123 HG22 ILE 123 -3.417 -4.439 8.975 956 2HG2 ILE 123 HG21 ILE 123 -3.336 -3.962 7.280 957 3HG2 ILE 123 HG23 ILE 123 -4.700 -3.452 8.274 958 1HD1 ILE 123 HD12 ILE 123 -3.963 -4.950 5.436 959 2HD1 ILE 123 HD11 ILE 123 -2.434 -5.827 5.440 960 3HD1 ILE 123 HD13 ILE 123 -3.889 -6.595 4.808 961 H PHE 124 HN PHE 124 -7.422 -4.794 8.995 962 HA PHE 124 HA PHE 124 -6.509 -2.770 10.786 963 1HB PHE 124 HB2 PHE 124 -9.197 -3.565 9.720 964 2HB PHE 124 HB1 PHE 124 -9.075 -2.347 10.990 965 HD1 PHE 124 HD2 PHE 124 -7.310 -3.260 7.813 966 HD2 PHE 124 HD1 PHE 124 -8.873 -0.123 10.284 967 HE1 PHE 124 HE2 PHE 124 -6.608 -1.598 6.133 968 HE2 PHE 124 HE1 PHE 124 -8.154 1.553 8.607 969 HZ PHE 124 HZ PHE 124 -7.023 0.811 6.527 970 H GLU 125 HN GLU 125 -7.554 -5.965 11.390 971 HA GLU 125 HA GLU 125 -8.727 -5.614 13.981 972 1HB GLU 125 HB2 GLU 125 -8.713 -7.776 12.662 973 2HB GLU 125 HB1 GLU 125 -7.005 -7.945 13.073 974 1HG GLU 125 HG2 GLU 125 -7.629 -8.915 15.007 975 2HG GLU 125 HG1 GLU 125 -8.318 -7.368 15.501 976 H LYS 126 HN LYS 126 -5.445 -5.633 12.781 977 HA LYS 126 HA LYS 126 -4.276 -5.592 15.484 978 1HB LYS 126 HB2 LYS 126 -3.139 -6.647 13.462 979 2HB LYS 126 HB1 LYS 126 -2.908 -5.014 12.842 980 1HG LYS 126 HG2 LYS 126 -0.963 -5.060 14.017 981 2HG LYS 126 HG1 LYS 126 -1.996 -4.737 15.409 982 1HD LYS 126 HD2 LYS 126 -0.801 -6.609 16.130 983 2HD LYS 126 HD1 LYS 126 -2.257 -7.354 15.476 984 1HE LYS 126 HE2 LYS 126 -0.245 -8.521 14.664 985 2HE LYS 126 HE1 LYS 126 -1.084 -7.737 13.326 986 1HZ LYS 126 HZ1 LYS 126 0.693 -5.889 14.422 987 2HZ LYS 126 HZ3 LYS 126 1.549 -7.337 14.208 988 3HZ LYS 126 HZ2 LYS 126 0.755 -6.618 12.889 989 H LEU 127 HN LEU 127 -5.318 -3.394 12.986 990 HA LEU 127 HA LEU 127 -3.896 -1.074 14.000 991 1HB LEU 127 HB2 LEU 127 -4.863 -1.355 11.630 992 2HB LEU 127 HB1 LEU 127 -6.440 -1.036 12.349 993 HG LEU 127 HG LEU 127 -5.523 1.110 13.276 994 1HD1 LEU 127 HD11 LEU 127 -3.067 0.007 12.095 995 2HD1 LEU 127 HD13 LEU 127 -3.387 1.672 11.616 996 3HD1 LEU 127 HD12 LEU 127 -3.263 1.255 13.323 997 1HD2 LEU 127 HD22 LEU 127 -6.157 0.434 10.539 998 2HD2 LEU 127 HD21 LEU 127 -6.558 1.897 11.437 999 3HD2 LEU 127 HD23 LEU 127 -5.021 1.782 10.580 1000 H GLY 128 HN GLY 128 -6.747 -2.796 14.904 1001 1HA GLY 128 HA2 GLY 128 -8.172 -2.453 16.744 1002 2HA GLY 128 HA1 GLY 128 -7.130 -1.115 17.231 1003 H MET 129 HN MET 129 -9.343 -1.837 14.513 1004 HA MET 129 HA MET 129 -10.504 0.903 14.867 1005 1HB MET 129 HB2 MET 129 -9.520 -0.548 12.478 1006 2HB MET 129 HB1 MET 129 -11.043 0.315 12.277 1007 1HG MET 129 HG2 MET 129 -8.944 1.672 11.768 1008 2HG MET 129 HG1 MET 129 -10.054 2.399 12.928 1009 1HE MET 129 HE1 MET 129 -8.610 3.945 14.085 1010 2HE MET 129 HE3 MET 129 -9.531 3.008 15.269 1011 3HE MET 129 HE2 MET 129 -7.842 3.401 15.575 Start of MODEL 44 Raw file had 1011 H/Q atoms Start of MODEL 44 1 H ALA 2 HN ALA 2 -14.366 -0.654 8.317 2 HA ALA 2 HA ALA 2 -13.093 1.356 9.781 3 1HB ALA 2 HB2 ALA 2 -12.330 -0.399 7.791 4 2HB ALA 2 HB1 ALA 2 -12.118 1.169 7.012 5 3HB ALA 2 HB3 ALA 2 -11.281 0.815 8.525 6 H ASP 3 HN ASP 3 -12.303 3.512 8.996 7 HA ASP 3 HA ASP 3 -14.324 5.324 8.445 8 1HB ASP 3 HB2 ASP 3 -11.421 5.354 8.354 9 2HB ASP 3 HB1 ASP 3 -12.105 6.393 7.104 10 H LYS 4 HN LYS 4 -15.114 6.352 6.530 11 HA LYS 4 HA LYS 4 -15.043 4.602 4.158 12 1HB LYS 4 HB2 LYS 4 -16.704 7.000 4.921 13 2HB LYS 4 HB1 LYS 4 -16.762 6.298 3.307 14 1HG LYS 4 HG2 LYS 4 -17.011 4.393 5.573 15 2HG LYS 4 HG1 LYS 4 -18.378 5.475 5.322 16 1HD LYS 4 HD2 LYS 4 -17.129 3.796 3.127 17 2HD LYS 4 HD1 LYS 4 -18.537 3.294 4.056 18 1HE LYS 4 HE2 LYS 4 -19.163 5.889 3.201 19 2HE LYS 4 HE1 LYS 4 -18.375 5.144 1.813 20 1HZ LYS 4 HZ2 LYS 4 -20.348 3.550 3.262 21 2HZ LYS 4 HZ1 LYS 4 -20.930 4.824 2.297 22 3HZ LYS 4 HZ3 LYS 4 -19.993 3.593 1.600 23 H GLU 5 HN GLU 5 -12.939 6.714 5.210 24 HA GLU 5 HA GLU 5 -12.207 7.603 2.489 25 1HB GLU 5 HB2 GLU 5 -12.852 9.462 4.782 26 2HB GLU 5 HB1 GLU 5 -11.760 9.947 3.487 27 1HG GLU 5 HG2 GLU 5 -13.551 9.404 1.833 28 2HG GLU 5 HG1 GLU 5 -14.643 9.066 3.177 29 H LEU 6 HN LEU 6 -10.852 5.658 3.859 30 HA LEU 6 HA LEU 6 -8.822 6.778 5.562 31 1HB LEU 6 HB2 LEU 6 -9.560 4.406 5.687 32 2HB LEU 6 HB1 LEU 6 -8.849 4.132 4.101 33 HG LEU 6 HG LEU 6 -6.637 4.791 4.983 34 1HD1 LEU 6 HD13 LEU 6 -8.286 5.313 7.427 35 2HD1 LEU 6 HD12 LEU 6 -6.643 4.709 7.642 36 3HD1 LEU 6 HD11 LEU 6 -6.920 6.224 6.784 37 1HD2 LEU 6 HD22 LEU 6 -8.233 2.508 5.941 38 2HD2 LEU 6 HD21 LEU 6 -6.658 2.532 5.153 39 3HD2 LEU 6 HD23 LEU 6 -6.782 2.837 6.886 40 H LYS 7 HN LYS 7 -7.432 8.222 4.675 41 HA LYS 7 HA LYS 7 -6.837 8.622 1.995 42 1HB LYS 7 HB2 LYS 7 -5.423 9.226 4.544 43 2HB LYS 7 HB1 LYS 7 -4.534 9.441 3.044 44 1HG LYS 7 HG2 LYS 7 -6.289 10.895 2.160 45 2HG LYS 7 HG1 LYS 7 -7.247 10.653 3.620 46 1HD LYS 7 HD2 LYS 7 -4.476 11.891 3.543 47 2HD LYS 7 HD1 LYS 7 -5.982 12.798 3.671 48 1HE LYS 7 HE2 LYS 7 -6.347 11.081 5.719 49 2HE LYS 7 HE1 LYS 7 -4.585 11.149 5.716 50 1HZ LYS 7 HZ1 LYS 7 -5.738 13.733 5.396 51 2HZ LYS 7 HZ3 LYS 7 -6.286 12.990 6.819 52 3HZ LYS 7 HZ2 LYS 7 -4.620 13.185 6.552 53 H PHE 8 HN PHE 8 -6.238 6.998 0.620 54 HA PHE 8 HA PHE 8 -4.077 5.124 1.438 55 1HB PHE 8 HB2 PHE 8 -6.036 5.150 -0.883 56 2HB PHE 8 HB1 PHE 8 -4.681 4.043 -0.813 57 HD1 PHE 8 HD2 PHE 8 -4.614 2.226 0.866 58 HD2 PHE 8 HD1 PHE 8 -7.955 4.905 0.577 59 HE1 PHE 8 HE2 PHE 8 -5.974 0.683 2.262 60 HE2 PHE 8 HE1 PHE 8 -9.305 3.364 1.973 61 HZ PHE 8 HZ PHE 8 -8.317 1.254 2.810 62 H LEU 9 HN LEU 9 -2.215 4.907 0.015 63 HA LEU 9 HA LEU 9 -1.880 7.151 -1.935 64 1HB LEU 9 HB2 LEU 9 -0.564 7.747 0.023 65 2HB LEU 9 HB1 LEU 9 0.174 6.148 0.062 66 HG LEU 9 HG LEU 9 1.284 6.552 -2.074 67 1HD1 LEU 9 HD11 LEU 9 -0.451 9.004 -2.070 68 2HD1 LEU 9 HD13 LEU 9 1.081 9.016 -2.942 69 3HD1 LEU 9 HD12 LEU 9 -0.169 7.846 -3.370 70 1HD2 LEU 9 HD22 LEU 9 1.566 8.631 0.070 71 2HD2 LEU 9 HD21 LEU 9 2.684 7.350 -0.401 72 3HD2 LEU 9 HD23 LEU 9 2.505 8.781 -1.412 73 H VAL 10 HN VAL 10 -1.929 6.088 -3.857 74 HA VAL 10 HA VAL 10 -0.673 3.410 -4.044 75 HB VAL 10 HB VAL 10 -1.561 3.867 -6.541 76 1HG1 VAL 10 HG11 VAL 10 -3.264 3.095 -4.163 77 2HG1 VAL 10 HG13 VAL 10 -3.655 2.735 -5.844 78 3HG1 VAL 10 HG12 VAL 10 -2.233 2.009 -5.093 79 1HG2 VAL 10 HG21 VAL 10 -2.287 6.162 -5.979 80 2HG2 VAL 10 HG23 VAL 10 -3.641 5.149 -6.467 81 3HG2 VAL 10 HG22 VAL 10 -3.383 5.508 -4.761 82 H VAL 11 HN VAL 11 1.458 3.360 -4.512 83 HA VAL 11 HA VAL 11 2.654 5.616 -5.971 84 HB VAL 11 HB VAL 11 4.182 3.321 -4.767 85 1HG1 VAL 11 HG12 VAL 11 4.921 5.708 -6.087 86 2HG1 VAL 11 HG11 VAL 11 5.260 5.979 -4.377 87 3HG1 VAL 11 HG13 VAL 11 5.977 4.604 -5.212 88 1HG2 VAL 11 HG21 VAL 11 3.088 5.754 -3.322 89 2HG2 VAL 11 HG23 VAL 11 2.651 4.075 -3.013 90 3HG2 VAL 11 HG22 VAL 11 4.279 4.643 -2.653 91 H ASP 12 HN ASP 12 2.649 5.328 -8.177 92 HA ASP 12 HA ASP 12 4.032 3.048 -9.323 93 1HB ASP 12 HB2 ASP 12 1.762 2.074 -8.859 94 2HB ASP 12 HB1 ASP 12 1.074 3.283 -9.945 95 H ASP 13 HN ASP 13 3.950 3.191 -11.783 96 HA ASP 13 HA ASP 13 3.907 6.070 -12.561 97 1HB ASP 13 HB2 ASP 13 6.019 4.665 -12.831 98 2HB ASP 13 HB1 ASP 13 5.157 3.777 -14.088 99 H PHE 14 HN PHE 14 2.523 2.922 -13.299 100 HA PHE 14 HA PHE 14 1.357 3.666 -15.831 101 1HB PHE 14 HB2 PHE 14 1.180 1.390 -13.975 102 2HB PHE 14 HB1 PHE 14 -0.341 1.748 -14.793 103 HD1 PHE 14 HD2 PHE 14 3.323 1.398 -15.532 104 HD2 PHE 14 HD1 PHE 14 -0.708 0.927 -16.946 105 HE1 PHE 14 HE2 PHE 14 4.174 0.354 -17.615 106 HE2 PHE 14 HE1 PHE 14 0.145 -0.114 -19.027 107 HZ PHE 14 HZ PHE 14 2.584 -0.402 -19.362 108 H SER 15 HN SER 15 -0.599 4.648 -16.261 109 HA SER 15 HA SER 15 -1.989 5.872 -13.939 110 1HB SER 15 HB2 SER 15 -1.418 6.678 -16.653 111 2HB SER 15 HB1 SER 15 -3.154 6.744 -16.361 112 HG SER 15 HG SER 15 -2.390 8.655 -15.631 113 H THR 16 HN THR 16 -2.532 3.674 -16.644 114 HA THR 16 HA THR 16 -5.402 3.490 -16.199 115 HB THR 16 HB THR 16 -5.313 2.502 -18.220 116 HG1 THR 16 HG1 THR 16 -3.592 0.615 -16.989 117 1HG2 THR 16 HG22 THR 16 -3.197 3.802 -18.453 118 2HG2 THR 16 HG21 THR 16 -2.303 2.396 -17.873 119 3HG2 THR 16 HG23 THR 16 -3.185 2.313 -19.397 120 H MET 17 HN MET 17 -2.606 1.980 -14.811 121 HA MET 17 HA MET 17 -3.988 -0.394 -13.847 122 1HB MET 17 HB2 MET 17 -1.562 -0.461 -13.972 123 2HB MET 17 HB1 MET 17 -1.435 0.968 -12.947 124 1HG MET 17 HG2 MET 17 -1.914 -0.179 -11.022 125 2HG MET 17 HG1 MET 17 -2.976 -1.314 -11.842 126 1HE MET 17 HE2 MET 17 -2.295 -2.653 -13.629 127 2HE MET 17 HE1 MET 17 -0.686 -3.248 -14.024 128 3HE MET 17 HE3 MET 17 -1.645 -4.048 -12.774 129 NH1 ARG 18 NH2 ARG 18 -0.870 0.576 -7.124 130 NH2 ARG 18 NH1 ARG 18 0.710 1.983 -6.331 131 H ARG 18 HN ARG 18 -2.798 2.542 -12.193 132 HA ARG 18 HA ARG 18 -4.099 1.995 -9.771 133 1HB ARG 18 HB2 ARG 18 -3.432 4.709 -10.918 134 2HB ARG 18 HB1 ARG 18 -3.761 4.365 -9.219 135 1HG ARG 18 HG2 ARG 18 -1.470 3.234 -10.864 136 2HG ARG 18 HG1 ARG 18 -1.335 4.440 -9.585 137 1HD ARG 18 HD2 ARG 18 -2.579 2.559 -8.163 138 2HD ARG 18 HD1 ARG 18 -1.856 1.500 -9.373 139 HE ARG 18 HE ARG 18 0.175 3.229 -8.417 140 1HH1 ARG 18 HH21 ARG 18 -1.578 0.360 -7.797 141 2HH1 ARG 18 HH22 ARG 18 -0.665 -0.070 -6.388 142 1HH2 ARG 18 HH11 ARG 18 1.214 2.844 -6.395 143 2HH2 ARG 18 HH12 ARG 18 0.910 1.341 -5.591 144 NH1 ARG 19 NH2 ARG 19 -12.452 3.557 -12.455 145 NH2 ARG 19 NH1 ARG 19 -13.458 5.383 -13.324 146 H ARG 19 HN ARG 19 -5.549 2.681 -12.718 147 HA ARG 19 HA ARG 19 -7.846 4.159 -11.673 148 1HB ARG 19 HB2 ARG 19 -7.322 4.426 -14.019 149 2HB ARG 19 HB1 ARG 19 -7.329 2.684 -14.273 150 1HG ARG 19 HG2 ARG 19 -9.404 3.798 -15.104 151 2HG ARG 19 HG1 ARG 19 -9.733 2.585 -13.873 152 1HD ARG 19 HD2 ARG 19 -10.127 4.232 -12.206 153 2HD ARG 19 HD1 ARG 19 -9.361 5.497 -13.165 154 HE ARG 19 HE ARG 19 -11.330 5.408 -14.677 155 1HH1 ARG 19 HH21 ARG 19 -11.642 2.978 -12.357 156 2HH1 ARG 19 HH22 ARG 19 -13.300 3.314 -11.984 157 1HH2 ARG 19 HH11 ARG 19 -13.422 6.205 -13.893 158 2HH2 ARG 19 HH12 ARG 19 -14.306 5.139 -12.853 159 H ILE 20 HN ILE 20 -7.057 0.788 -12.396 160 HA ILE 20 HA ILE 20 -9.652 -0.313 -11.964 161 HB ILE 20 HB ILE 20 -6.856 -1.324 -12.032 162 1HG1 ILE 20 HG12 ILE 20 -9.399 -2.535 -13.128 163 2HG1 ILE 20 HG11 ILE 20 -8.565 -1.211 -13.940 164 1HG2 ILE 20 HG22 ILE 20 -9.097 -2.767 -10.595 165 2HG2 ILE 20 HG21 ILE 20 -7.738 -3.621 -11.318 166 3HG2 ILE 20 HG23 ILE 20 -7.454 -2.462 -10.022 167 1HD1 ILE 20 HD12 ILE 20 -7.241 -3.829 -13.181 168 2HD1 ILE 20 HD11 ILE 20 -7.896 -3.483 -14.782 169 3HD1 ILE 20 HD13 ILE 20 -6.545 -2.535 -14.156 170 H VAL 21 HN VAL 21 -6.875 -0.133 -9.705 171 HA VAL 21 HA VAL 21 -8.252 -1.111 -7.439 172 HB VAL 21 HB VAL 21 -6.489 0.708 -6.359 173 1HG1 VAL 21 HG12 VAL 21 -6.133 -2.113 -7.375 174 2HG1 VAL 21 HG11 VAL 21 -4.866 -1.268 -6.483 175 3HG1 VAL 21 HG13 VAL 21 -6.428 -1.573 -5.720 176 1HG2 VAL 21 HG22 VAL 21 -5.975 1.318 -8.769 177 2HG2 VAL 21 HG21 VAL 21 -4.588 0.861 -7.777 178 3HG2 VAL 21 HG23 VAL 21 -5.266 -0.291 -8.929 179 NH1 ARG 22 NH2 ARG 22 -6.944 6.573 -11.975 180 NH2 ARG 22 NH1 ARG 22 -8.661 8.031 -11.775 181 H ARG 22 HN ARG 22 -7.995 2.242 -8.658 182 HA ARG 22 HA ARG 22 -9.076 3.681 -6.546 183 1HB ARG 22 HB2 ARG 22 -9.059 3.963 -9.463 184 2HB ARG 22 HB1 ARG 22 -10.469 4.712 -8.720 185 1HG ARG 22 HG2 ARG 22 -8.925 5.896 -7.120 186 2HG ARG 22 HG1 ARG 22 -7.563 5.248 -8.034 187 1HD ARG 22 HD2 ARG 22 -9.690 7.177 -8.977 188 2HD ARG 22 HD1 ARG 22 -7.947 7.433 -8.908 189 HE ARG 22 HE ARG 22 -8.903 5.276 -10.693 190 1HH1 ARG 22 HH21 ARG 22 -6.488 5.728 -11.694 191 2HH1 ARG 22 HH22 ARG 22 -6.542 7.145 -12.690 192 1HH2 ARG 22 HH11 ARG 22 -9.519 8.303 -11.341 193 2HH2 ARG 22 HH12 ARG 22 -8.258 8.602 -12.490 194 H ASN 23 HN ASN 23 -10.984 2.033 -9.071 195 HA ASN 23 HA ASN 23 -13.541 2.482 -7.908 196 1HB ASN 23 HB2 ASN 23 -12.455 1.289 -10.164 197 2HB ASN 23 HB1 ASN 23 -13.175 -0.045 -9.305 198 1HD2 ASN 23 HD22 ASN 23 -16.536 1.139 -9.716 199 2HD2 ASN 23 HD21 ASN 23 -15.543 0.140 -8.768 200 H LEU 24 HN LEU 24 -11.500 -0.409 -7.952 201 HA LEU 24 HA LEU 24 -12.804 -2.190 -6.345 202 1HB LEU 24 HB2 LEU 24 -10.454 -2.344 -7.331 203 2HB LEU 24 HB1 LEU 24 -9.904 -1.490 -5.905 204 HG LEU 24 HG LEU 24 -11.613 -3.806 -5.272 205 1HD1 LEU 24 HD11 LEU 24 -9.011 -4.227 -6.756 206 2HD1 LEU 24 HD13 LEU 24 -9.871 -5.486 -5.870 207 3HD1 LEU 24 HD12 LEU 24 -10.618 -4.733 -7.277 208 1HD2 LEU 24 HD23 LEU 24 -9.030 -2.631 -4.300 209 2HD2 LEU 24 HD22 LEU 24 -10.423 -3.195 -3.391 210 3HD2 LEU 24 HD21 LEU 24 -9.278 -4.355 -4.052 211 H LEU 25 HN LEU 25 -10.587 0.278 -4.968 212 HA LEU 25 HA LEU 25 -11.203 -0.157 -2.250 213 1HB LEU 25 HB2 LEU 25 -10.293 2.246 -3.812 214 2HB LEU 25 HB1 LEU 25 -10.699 2.428 -2.115 215 HG LEU 25 HG LEU 25 -8.730 0.379 -3.174 216 1HD1 LEU 25 HD11 LEU 25 -8.454 3.238 -2.565 217 2HD1 LEU 25 HD13 LEU 25 -7.308 2.223 -1.690 218 3HD1 LEU 25 HD12 LEU 25 -7.369 2.167 -3.452 219 1HD2 LEU 25 HD23 LEU 25 -9.827 1.067 -0.492 220 2HD2 LEU 25 HD22 LEU 25 -9.198 -0.466 -1.089 221 3HD2 LEU 25 HD21 LEU 25 -8.088 0.798 -0.567 222 H LYS 26 HN LYS 26 -12.744 2.173 -4.497 223 HA LYS 26 HA LYS 26 -14.670 3.152 -2.702 224 1HB LYS 26 HB2 LYS 26 -14.845 2.735 -5.694 225 2HB LYS 26 HB1 LYS 26 -16.033 3.645 -4.758 226 1HG LYS 26 HG2 LYS 26 -14.202 5.139 -3.957 227 2HG LYS 26 HG1 LYS 26 -13.075 4.272 -5.002 228 1HD LYS 26 HD2 LYS 26 -14.440 4.883 -6.972 229 2HD LYS 26 HD1 LYS 26 -15.548 5.769 -5.924 230 1HE LYS 26 HE2 LYS 26 -13.788 7.306 -5.268 231 2HE LYS 26 HE1 LYS 26 -12.585 6.364 -6.147 232 1HZ LYS 26 HZ3 LYS 26 -14.759 7.049 -7.833 233 2HZ LYS 26 HZ2 LYS 26 -14.101 8.445 -7.124 234 3HZ LYS 26 HZ1 LYS 26 -13.110 7.395 -8.020 235 H GLU 27 HN GLU 27 -14.743 0.266 -4.753 236 HA GLU 27 HA GLU 27 -17.395 -0.529 -4.400 237 1HB GLU 27 HB2 GLU 27 -15.468 -1.649 -5.747 238 2HB GLU 27 HB1 GLU 27 -15.148 -2.526 -4.250 239 1HG GLU 27 HG2 GLU 27 -17.818 -2.872 -4.389 240 2HG GLU 27 HG1 GLU 27 -17.460 -2.735 -6.111 241 H LEU 28 HN LEU 28 -14.621 -1.004 -2.248 242 HA LEU 28 HA LEU 28 -16.132 -2.503 -0.276 243 1HB LEU 28 HB2 LEU 28 -13.617 -0.932 0.287 244 2HB LEU 28 HB1 LEU 28 -14.170 -2.422 1.052 245 HG LEU 28 HG LEU 28 -13.249 -2.134 -1.823 246 1HD1 LEU 28 HD13 LEU 28 -11.873 -2.684 0.666 247 2HD1 LEU 28 HD12 LEU 28 -11.756 -4.065 -0.423 248 3HD1 LEU 28 HD11 LEU 28 -11.202 -2.477 -0.951 249 1HD2 LEU 28 HD22 LEU 28 -14.506 -4.376 -0.254 250 2HD2 LEU 28 HD21 LEU 28 -14.868 -3.832 -1.893 251 3HD2 LEU 28 HD23 LEU 28 -13.389 -4.736 -1.570 252 H GLY 29 HN GLY 29 -14.709 0.765 -0.116 253 1HA GLY 29 HA2 GLY 29 -16.843 2.313 0.532 254 2HA GLY 29 HA1 GLY 29 -16.505 1.481 2.045 255 H PHE 30 HN PHE 30 -14.755 3.310 -0.485 256 HA PHE 30 HA PHE 30 -13.454 4.889 1.648 257 1HB PHE 30 HB2 PHE 30 -11.923 3.183 -0.331 258 2HB PHE 30 HB1 PHE 30 -11.186 4.471 0.611 259 HD1 PHE 30 HD1 PHE 30 -11.696 4.364 3.213 260 HD2 PHE 30 HD2 PHE 30 -11.914 1.021 0.538 261 HE1 PHE 30 HE1 PHE 30 -11.413 2.814 5.130 262 HE2 PHE 30 HE2 PHE 30 -11.641 -0.533 2.450 263 HZ PHE 30 HZ PHE 30 -11.391 0.365 4.748 264 H ASN 31 HN ASN 31 -12.772 6.946 0.872 265 HA ASN 31 HA ASN 31 -12.887 7.455 -2.035 266 1HB ASN 31 HB2 ASN 31 -15.194 7.825 -1.488 267 2HB ASN 31 HB1 ASN 31 -14.770 8.744 -0.045 268 1HD2 ASN 31 HD22 ASN 31 -14.179 10.546 -3.705 269 2HD2 ASN 31 HD21 ASN 31 -14.050 8.858 -3.591 270 H ASN 32 HN ASN 32 -10.549 7.661 -1.140 271 HA ASN 32 HA ASN 32 -9.803 10.420 -1.141 272 1HB ASN 32 HB2 ASN 32 -10.721 9.744 1.348 273 2HB ASN 32 HB1 ASN 32 -9.013 9.349 1.508 274 1HD2 ASN 32 HD22 ASN 32 -9.908 13.252 0.538 275 2HD2 ASN 32 HD21 ASN 32 -10.852 12.005 -0.121 276 H VAL 33 HN VAL 33 -8.190 9.797 -2.597 277 HA VAL 33 HA VAL 33 -5.918 8.313 -1.420 278 HB VAL 33 HB VAL 33 -7.141 6.504 -2.404 279 1HG1 VAL 33 HG12 VAL 33 -7.435 8.352 -4.785 280 2HG1 VAL 33 HG11 VAL 33 -7.863 6.640 -4.813 281 3HG1 VAL 33 HG13 VAL 33 -8.723 7.747 -3.742 282 1HG2 VAL 33 HG22 VAL 33 -4.632 6.858 -3.022 283 2HG2 VAL 33 HG21 VAL 33 -5.558 5.668 -3.936 284 3HG2 VAL 33 HG23 VAL 33 -5.247 7.263 -4.623 285 H GLU 34 HN GLU 34 -3.908 8.713 -2.522 286 HA GLU 34 HA GLU 34 -4.044 10.792 -4.677 287 1HB GLU 34 HB2 GLU 34 -2.135 10.597 -2.340 288 2HB GLU 34 HB1 GLU 34 -1.855 11.634 -3.737 289 1HG GLU 34 HG2 GLU 34 -4.558 11.920 -2.652 290 2HG GLU 34 HG1 GLU 34 -3.314 12.343 -1.479 291 H GLU 35 HN GLU 35 -1.391 10.782 -5.417 292 HA GLU 35 HA GLU 35 -0.724 7.924 -5.938 293 1HB GLU 35 HB2 GLU 35 -1.420 10.028 -7.962 294 2HB GLU 35 HB1 GLU 35 -0.246 8.781 -8.378 295 1HG GLU 35 HG2 GLU 35 -1.816 7.039 -8.093 296 2HG GLU 35 HG1 GLU 35 -2.920 8.068 -7.179 297 H ALA 36 HN ALA 36 1.437 7.654 -6.840 298 HA ALA 36 HA ALA 36 3.283 9.954 -6.557 299 1HB ALA 36 HB1 ALA 36 3.159 7.587 -4.766 300 2HB ALA 36 HB3 ALA 36 4.764 8.048 -5.321 301 3HB ALA 36 HB2 ALA 36 3.772 9.207 -4.443 302 H GLU 37 HN GLU 37 5.660 8.581 -6.938 303 HA GLU 37 HA GLU 37 5.176 6.983 -9.426 304 1HB GLU 37 HB2 GLU 37 7.231 9.176 -9.045 305 2HB GLU 37 HB1 GLU 37 7.090 8.146 -10.471 306 1HG GLU 37 HG2 GLU 37 4.500 9.145 -10.017 307 2HG GLU 37 HG1 GLU 37 5.580 10.520 -9.784 308 H ASP 38 HN ASP 38 6.571 6.975 -6.381 309 HA ASP 38 HA ASP 38 7.833 4.491 -6.648 310 1HB ASP 38 HB2 ASP 38 10.305 5.482 -6.518 311 2HB ASP 38 HB1 ASP 38 9.552 5.140 -8.071 312 H GLY 39 HN GLY 39 9.900 4.542 -4.896 313 1HA GLY 39 HA2 GLY 39 8.594 5.138 -2.401 314 2HA GLY 39 HA1 GLY 39 10.265 4.610 -2.582 315 H VAL 40 HN VAL 40 11.110 6.779 -4.309 316 HA VAL 40 HA VAL 40 11.744 8.731 -2.302 317 HB VAL 40 HB VAL 40 12.626 10.083 -4.231 318 1HG1 VAL 40 HG11 VAL 40 13.997 8.368 -3.087 319 2HG1 VAL 40 HG13 VAL 40 13.396 7.149 -4.211 320 3HG1 VAL 40 HG12 VAL 40 14.395 8.477 -4.802 321 1HG2 VAL 40 HG22 VAL 40 11.464 7.757 -5.790 322 2HG2 VAL 40 HG21 VAL 40 11.050 9.464 -5.958 323 3HG2 VAL 40 HG23 VAL 40 12.641 8.890 -6.452 324 H ASP 41 HN ASP 41 9.382 8.708 -4.968 325 HA ASP 41 HA ASP 41 8.437 11.391 -4.485 326 1HB ASP 41 HB2 ASP 41 8.012 9.965 -6.561 327 2HB ASP 41 HB1 ASP 41 6.808 9.105 -5.612 328 H ALA 42 HN ALA 42 7.200 8.191 -3.554 329 HA ALA 42 HA ALA 42 5.015 9.070 -1.988 330 1HB ALA 42 HB2 ALA 42 6.636 6.605 -2.199 331 2HB ALA 42 HB1 ALA 42 5.797 6.827 -0.662 332 3HB ALA 42 HB3 ALA 42 4.885 6.811 -2.169 333 H LEU 43 HN LEU 43 8.292 8.168 -0.819 334 HA LEU 43 HA LEU 43 8.020 8.824 1.864 335 1HB LEU 43 HB2 LEU 43 10.101 7.982 0.562 336 2HB LEU 43 HB1 LEU 43 10.449 9.681 0.276 337 HG LEU 43 HG LEU 43 11.684 8.832 2.234 338 1HD1 LEU 43 HD13 LEU 43 10.611 11.212 2.080 339 2HD1 LEU 43 HD12 LEU 43 9.560 10.621 3.368 340 3HD1 LEU 43 HD11 LEU 43 11.303 10.670 3.608 341 1HD2 LEU 43 HD23 LEU 43 9.530 7.288 2.769 342 2HD2 LEU 43 HD22 LEU 43 10.733 7.707 3.985 343 3HD2 LEU 43 HD21 LEU 43 9.224 8.614 3.887 344 H ASN 44 HN ASN 44 9.001 11.094 -0.720 345 HA ASN 44 HA ASN 44 8.986 13.426 0.913 346 1HB ASN 44 HB2 ASN 44 8.551 13.050 -2.059 347 2HB ASN 44 HB1 ASN 44 8.688 14.633 -1.295 348 1HD2 ASN 44 HD22 ASN 44 12.042 12.643 -2.189 349 2HD2 ASN 44 HD21 ASN 44 10.515 12.247 -2.817 350 H LYS 45 HN LYS 45 6.410 11.950 -1.043 351 HA LYS 45 HA LYS 45 4.505 14.050 -0.336 352 1HB LYS 45 HB2 LYS 45 4.637 11.918 -2.244 353 2HB LYS 45 HB1 LYS 45 3.160 11.723 -1.309 354 1HG LYS 45 HG2 LYS 45 3.992 14.351 -2.579 355 2HG LYS 45 HG1 LYS 45 2.936 13.185 -3.370 356 1HD LYS 45 HD2 LYS 45 1.514 13.329 -1.184 357 2HD LYS 45 HD1 LYS 45 2.405 14.822 -0.896 358 1HE LYS 45 HE2 LYS 45 0.835 14.205 -3.414 359 2HE LYS 45 HE1 LYS 45 0.269 15.227 -2.094 360 1HZ LYS 45 HZ1 LYS 45 2.446 16.490 -2.471 361 2HZ LYS 45 HZ3 LYS 45 2.489 15.707 -3.975 362 3HZ LYS 45 HZ2 LYS 45 1.183 16.721 -3.584 363 H LEU 46 HN LEU 46 5.626 11.235 1.218 364 HA LEU 46 HA LEU 46 3.200 10.408 2.528 365 1HB LEU 46 HB2 LEU 46 5.973 9.684 2.572 366 2HB LEU 46 HB1 LEU 46 5.459 9.956 4.233 367 HG LEU 46 HG LEU 46 5.111 7.604 3.574 368 1HD1 LEU 46 HD13 LEU 46 3.173 9.351 4.676 369 2HD1 LEU 46 HD12 LEU 46 2.311 8.233 3.621 370 3HD1 LEU 46 HD11 LEU 46 3.323 7.613 4.925 371 1HD2 LEU 46 HD21 LEU 46 4.181 8.796 1.142 372 2HD2 LEU 46 HD23 LEU 46 4.382 7.083 1.509 373 3HD2 LEU 46 HD22 LEU 46 2.851 7.883 1.855 374 H GLN 47 HN GLN 47 4.885 13.265 2.685 375 HA GLN 47 HA GLN 47 4.280 13.771 5.549 376 1HB GLN 47 HB2 GLN 47 6.472 14.512 4.841 377 2HB GLN 47 HB1 GLN 47 5.786 15.373 3.463 378 1HG GLN 47 HG2 GLN 47 4.900 17.069 4.786 379 2HG GLN 47 HG1 GLN 47 4.831 16.048 6.225 380 1HE2 GLN 47 HE22 GLN 47 7.873 18.482 6.049 381 2HE2 GLN 47 HE21 GLN 47 6.308 18.740 5.446 382 H ALA 48 HN ALA 48 2.754 14.007 2.592 383 HA ALA 48 HA ALA 48 1.552 16.488 2.415 384 1HB ALA 48 HB3 ALA 48 1.136 14.353 1.009 385 2HB ALA 48 HB2 ALA 48 -0.116 13.987 2.193 386 3HB ALA 48 HB1 ALA 48 -0.215 15.463 1.232 387 H GLY 49 HN GLY 49 -0.188 13.819 4.031 388 1HA GLY 49 HA2 GLY 49 -0.775 15.620 6.315 389 2HA GLY 49 HA1 GLY 49 -2.153 15.028 5.385 390 H GLY 50 HN GLY 50 0.363 12.781 5.369 391 1HA GLY 50 HA2 GLY 50 0.826 10.907 6.767 392 2HA GLY 50 HA1 GLY 50 -0.429 11.459 7.880 393 OH TYR 51 OH TYR 51 -1.108 12.031 -0.798 394 H TYR 51 HN TYR 51 0.162 9.731 4.869 395 HA TYR 51 HA TYR 51 -2.584 9.175 4.266 396 1HB TYR 51 HB2 TYR 51 0.013 7.834 3.517 397 2HB TYR 51 HB1 TYR 51 -1.544 7.224 2.973 398 HD1 TYR 51 HD1 TYR 51 -3.016 8.605 1.533 399 HD2 TYR 51 HD2 TYR 51 0.930 9.865 2.645 400 HE1 TYR 51 HE1 TYR 51 -3.069 10.335 -0.244 401 HE2 TYR 51 HE2 TYR 51 0.887 11.583 0.859 402 HH TYR 51 HH TYR 51 -0.304 12.551 -0.723 403 H GLY 52 HN GLY 52 -3.863 8.156 5.731 404 1HA GLY 52 HA2 GLY 52 -3.016 6.495 7.844 405 2HA GLY 52 HA1 GLY 52 -4.630 6.455 7.149 406 H PHE 53 HN PHE 53 -2.775 5.906 4.556 407 HA PHE 53 HA PHE 53 -2.051 3.100 5.003 408 1HB PHE 53 HB2 PHE 53 -4.701 3.690 4.449 409 2HB PHE 53 HB1 PHE 53 -4.030 3.263 2.888 410 HD1 PHE 53 HD2 PHE 53 -4.658 2.086 6.328 411 HD2 PHE 53 HD1 PHE 53 -3.314 1.013 2.400 412 HE1 PHE 53 HE2 PHE 53 -4.874 -0.295 6.910 413 HE2 PHE 53 HE1 PHE 53 -3.534 -1.371 2.973 414 HZ PHE 53 HZ PHE 53 -4.296 -2.044 5.242 415 H VAL 54 HN VAL 54 -0.737 2.330 3.296 416 HA VAL 54 HA VAL 54 -0.516 4.048 0.860 417 HB VAL 54 HB VAL 54 1.881 2.998 2.348 418 1HG1 VAL 54 HG11 VAL 54 1.541 4.089 -0.221 419 2HG1 VAL 54 HG13 VAL 54 2.279 5.363 0.750 420 3HG1 VAL 54 HG12 VAL 54 3.063 3.790 0.615 421 1HG2 VAL 54 HG22 VAL 54 0.369 5.566 2.662 422 2HG2 VAL 54 HG21 VAL 54 1.095 4.546 3.903 423 3HG2 VAL 54 HG23 VAL 54 2.118 5.557 2.883 424 H ILE 55 HN ILE 55 -0.920 2.670 -0.816 425 HA ILE 55 HA ILE 55 0.020 -0.159 -0.587 426 HB ILE 55 HB ILE 55 -1.447 0.027 -2.945 427 1HG1 ILE 55 HG12 ILE 55 -2.873 1.624 -0.794 428 2HG1 ILE 55 HG11 ILE 55 -2.163 2.325 -2.250 429 1HG2 ILE 55 HG21 ILE 55 -1.534 -1.765 -1.230 430 2HG2 ILE 55 HG23 ILE 55 -2.447 -0.691 -0.171 431 3HG2 ILE 55 HG22 ILE 55 -3.147 -1.232 -1.696 432 1HD1 ILE 55 HD11 ILE 55 -3.616 0.838 -3.636 433 2HD1 ILE 55 HD13 ILE 55 -4.367 0.235 -2.162 434 3HD1 ILE 55 HD12 ILE 55 -4.559 1.927 -2.619 435 H SER 56 HN SER 56 2.149 -0.084 -1.263 436 HA SER 56 HA SER 56 2.781 1.392 -3.781 437 1HB SER 56 HB2 SER 56 4.196 0.936 -1.302 438 2HB SER 56 HB1 SER 56 5.144 0.343 -2.661 439 HG SER 56 HG SER 56 4.513 2.892 -1.927 440 H ASP 57 HN ASP 57 3.732 0.302 -5.531 441 HA ASP 57 HA ASP 57 3.033 -2.470 -5.855 442 1HB ASP 57 HB2 ASP 57 4.416 -2.270 -7.964 443 2HB ASP 57 HB1 ASP 57 3.143 -1.059 -7.808 444 CH2 TRP 58 CH2 TRP 58 10.262 -5.511 -1.316 445 H TRP 58 HN TRP 58 6.142 -2.100 -7.090 446 HA TRP 58 HA TRP 58 7.698 -2.877 -4.783 447 1HB TRP 58 HB2 TRP 58 6.311 -4.948 -5.180 448 2HB TRP 58 HB1 TRP 58 7.073 -5.088 -6.763 449 HD1 TRP 58 HD1 TRP 58 9.104 -6.587 -6.790 450 HE1 TRP 58 HE1 TRP 58 10.884 -7.336 -5.084 451 HE3 TRP 58 HE3 TRP 58 7.571 -3.943 -2.702 452 HZ2 TRP 58 HZ2 TRP 58 11.568 -6.869 -2.347 453 HZ3 TRP 58 HZ3 TRP 58 8.803 -4.122 -0.557 454 HH2 TRP 58 HH2 TRP 58 10.790 -5.590 -0.382 455 H ASN 59 HN ASN 59 8.877 -4.787 -7.204 456 HA ASN 59 HA ASN 59 10.853 -2.746 -7.954 457 1HB ASN 59 HB2 ASN 59 10.578 -5.699 -8.344 458 2HB ASN 59 HB1 ASN 59 11.616 -4.806 -9.452 459 1HD2 ASN 59 HD22 ASN 59 12.798 -5.368 -5.597 460 2HD2 ASN 59 HD21 ASN 59 11.268 -5.884 -6.119 461 H MET 60 HN MET 60 10.580 -1.443 -9.670 462 HA MET 60 HA MET 60 9.903 -2.261 -12.266 463 1HB MET 60 HB2 MET 60 7.570 -2.045 -10.602 464 2HB MET 60 HB1 MET 60 7.525 -0.770 -11.821 465 1HG MET 60 HG2 MET 60 8.059 -3.687 -12.444 466 2HG MET 60 HG1 MET 60 6.480 -2.918 -12.584 467 1HE MET 60 HE2 MET 60 6.592 -4.023 -14.715 468 2HE MET 60 HE1 MET 60 5.855 -2.523 -15.273 469 3HE MET 60 HE3 MET 60 7.160 -3.270 -16.203 470 HA PRO 61 HA PRO 61 9.618 2.547 -11.992 471 1HB PRO 61 HB2 PRO 61 10.390 3.375 -9.352 472 2HB PRO 61 HB1 PRO 61 8.850 3.666 -10.171 473 1HG PRO 61 HG2 PRO 61 9.328 1.905 -7.965 474 2HG PRO 61 HG1 PRO 61 7.816 2.119 -8.858 475 1HD PRO 61 HD2 PRO 61 9.667 -0.110 -8.940 476 2HD PRO 61 HD1 PRO 61 8.077 0.034 -9.709 477 H ASN 62 HN ASN 62 11.816 1.692 -9.297 478 HA ASN 62 HA ASN 62 14.139 1.829 -11.112 479 1HB ASN 62 HB2 ASN 62 13.940 3.644 -8.689 480 2HB ASN 62 HB1 ASN 62 15.276 3.559 -9.839 481 1HD2 ASN 62 HD22 ASN 62 11.903 5.646 -10.805 482 2HD2 ASN 62 HD21 ASN 62 11.960 4.710 -9.389 483 H MET 63 HN MET 63 13.873 2.189 -7.571 484 HA MET 63 HA MET 63 15.585 -0.213 -7.283 485 1HB MET 63 HB2 MET 63 16.124 1.884 -6.026 486 2HB MET 63 HB1 MET 63 14.605 1.713 -5.150 487 1HG MET 63 HG2 MET 63 15.705 0.406 -3.677 488 2HG MET 63 HG1 MET 63 15.843 -0.802 -4.953 489 1HE MET 63 HE1 MET 63 17.641 -1.190 -6.437 490 2HE MET 63 HE3 MET 63 19.316 -1.037 -5.891 491 3HE MET 63 HE2 MET 63 18.142 -1.907 -4.907 492 H ASP 64 HN ASP 64 13.135 0.748 -4.914 493 HA ASP 64 HA ASP 64 11.111 -1.115 -5.628 494 1HB ASP 64 HB2 ASP 64 11.772 -2.732 -3.616 495 2HB ASP 64 HB1 ASP 64 12.388 -3.005 -5.247 496 H GLY 65 HN GLY 65 9.407 -1.138 -4.055 497 1HA GLY 65 HA2 GLY 65 9.409 1.151 -2.282 498 2HA GLY 65 HA1 GLY 65 8.116 -0.036 -2.411 499 H LEU 66 HN LEU 66 11.263 -1.324 -1.842 500 HA LEU 66 HA LEU 66 10.406 -2.287 0.783 501 1HB LEU 66 HB2 LEU 66 11.906 -3.516 -0.948 502 2HB LEU 66 HB1 LEU 66 13.213 -2.519 -0.312 503 HG LEU 66 HG LEU 66 11.424 -4.282 1.397 504 1HD1 LEU 66 HD13 LEU 66 13.119 -5.372 -0.298 505 2HD1 LEU 66 HD12 LEU 66 14.326 -4.829 0.867 506 3HD1 LEU 66 HD11 LEU 66 13.054 -5.944 1.368 507 1HD2 LEU 66 HD23 LEU 66 13.730 -2.444 1.940 508 2HD2 LEU 66 HD22 LEU 66 12.244 -2.681 2.859 509 3HD2 LEU 66 HD21 LEU 66 13.527 -3.885 2.935 510 H GLU 67 HN GLU 67 13.166 -0.301 -0.359 511 HA GLU 67 HA GLU 67 14.031 0.568 2.199 512 1HB GLU 67 HB2 GLU 67 15.029 0.976 -0.212 513 2HB GLU 67 HB1 GLU 67 14.051 2.444 -0.153 514 1HG GLU 67 HG2 GLU 67 15.137 3.060 1.994 515 2HG GLU 67 HG1 GLU 67 16.150 1.621 1.876 516 H LEU 68 HN LEU 68 11.115 1.079 0.615 517 HA LEU 68 HA LEU 68 10.515 3.724 1.717 518 1HB LEU 68 HB2 LEU 68 9.548 2.638 -0.442 519 2HB LEU 68 HB1 LEU 68 8.504 1.744 0.654 520 HG LEU 68 HG LEU 68 7.744 3.912 1.640 521 1HD1 LEU 68 HD11 LEU 68 9.716 4.929 -0.345 522 2HD1 LEU 68 HD13 LEU 68 8.204 5.823 -0.209 523 3HD1 LEU 68 HD12 LEU 68 9.228 5.603 1.205 524 1HD2 LEU 68 HD21 LEU 68 7.357 3.266 -1.281 525 2HD2 LEU 68 HD23 LEU 68 6.265 2.956 0.067 526 3HD2 LEU 68 HD22 LEU 68 6.489 4.601 -0.525 527 H LEU 69 HN LEU 69 9.154 0.445 2.212 528 HA LEU 69 HA LEU 69 7.727 1.208 4.578 529 1HB LEU 69 HB2 LEU 69 6.772 -0.758 4.209 530 2HB LEU 69 HB1 LEU 69 7.924 -1.052 2.923 531 HG LEU 69 HG LEU 69 9.516 -1.995 4.659 532 1HD1 LEU 69 HD13 LEU 69 7.365 -1.077 6.422 533 2HD1 LEU 69 HD12 LEU 69 7.685 -2.800 6.640 534 3HD1 LEU 69 HD11 LEU 69 8.981 -1.631 6.844 535 1HD2 LEU 69 HD21 LEU 69 7.039 -3.124 3.609 536 2HD2 LEU 69 HD23 LEU 69 8.640 -3.847 3.717 537 3HD2 LEU 69 HD22 LEU 69 7.548 -3.928 5.096 538 H LYS 70 HN LYS 70 10.956 -0.089 4.036 539 HA LYS 70 HA LYS 70 11.540 -0.647 6.801 540 1HB LYS 70 HB2 LYS 70 12.849 -1.432 4.744 541 2HB LYS 70 HB1 LYS 70 13.556 0.183 4.705 542 1HG LYS 70 HG2 LYS 70 13.959 -0.369 7.301 543 2HG LYS 70 HG1 LYS 70 13.964 -2.018 6.673 544 1HD LYS 70 HD2 LYS 70 15.725 0.274 5.758 545 2HD LYS 70 HD1 LYS 70 16.241 -1.176 6.620 546 1HE LYS 70 HE2 LYS 70 15.082 -2.396 4.565 547 2HE LYS 70 HE1 LYS 70 15.418 -0.864 3.759 548 1HZ LYS 70 HZ3 LYS 70 17.462 -2.397 5.262 549 2HZ LYS 70 HZ2 LYS 70 17.217 -2.560 3.589 550 3HZ LYS 70 HZ1 LYS 70 17.712 -1.070 4.236 551 H THR 71 HN THR 71 12.600 2.096 4.738 552 HA THR 71 HA THR 71 13.674 3.680 6.816 553 HB THR 71 HB THR 71 12.227 4.640 4.326 554 HG1 THR 71 HG1 THR 71 14.020 4.206 3.298 555 1HG2 THR 71 HG21 THR 71 14.085 5.958 6.304 556 2HG2 THR 71 HG23 THR 71 13.904 6.569 4.659 557 3HG2 THR 71 HG22 THR 71 12.511 6.517 5.739 558 H ILE 72 HN ILE 72 10.338 3.332 5.691 559 HA ILE 72 HA ILE 72 9.154 5.453 7.159 560 HB ILE 72 HB ILE 72 8.276 2.913 5.936 561 1HG1 ILE 72 HG12 ILE 72 7.011 5.666 6.030 562 2HG1 ILE 72 HG11 ILE 72 8.216 5.173 4.847 563 1HG2 ILE 72 HG21 ILE 72 6.755 4.181 8.215 564 2HG2 ILE 72 HG23 ILE 72 5.949 3.229 6.975 565 3HG2 ILE 72 HG22 ILE 72 7.175 2.486 7.994 566 1HD1 ILE 72 HD12 ILE 72 6.499 3.158 4.466 567 2HD1 ILE 72 HD11 ILE 72 5.351 4.337 5.090 568 3HD1 ILE 72 HD13 ILE 72 6.291 4.700 3.645 569 NH1 ARG 73 NH2 ARG 73 5.693 -1.667 10.332 570 NH2 ARG 73 NH1 ARG 73 5.292 -1.801 12.552 571 H ARG 73 HN ARG 73 10.031 2.152 8.128 572 HA ARG 73 HA ARG 73 8.826 2.266 10.731 573 1HB ARG 73 HB2 ARG 73 10.071 0.317 9.259 574 2HB ARG 73 HB1 ARG 73 11.304 0.674 10.469 575 1HG ARG 73 HG2 ARG 73 10.029 -0.967 11.542 576 2HG ARG 73 HG1 ARG 73 9.309 0.517 12.166 577 1HD ARG 73 HD2 ARG 73 7.733 0.305 10.074 578 2HD ARG 73 HD1 ARG 73 8.236 -1.385 10.101 579 HE ARG 73 HE ARG 73 7.352 -0.450 12.710 580 1HH1 ARG 73 HH21 ARG 73 6.270 -1.366 9.574 581 2HH1 ARG 73 HH22 ARG 73 4.845 -2.164 10.150 582 1HH2 ARG 73 HH11 ARG 73 5.562 -1.604 13.495 583 2HH2 ARG 73 HH12 ARG 73 4.444 -2.299 12.369 584 H ALA 74 HN ALA 74 11.406 4.001 9.449 585 HA ALA 74 HA ALA 74 13.135 4.097 11.769 586 1HB ALA 74 HB1 ALA 74 13.715 4.747 9.351 587 2HB ALA 74 HB3 ALA 74 12.874 6.263 9.677 588 3HB ALA 74 HB2 ALA 74 14.299 5.824 10.619 589 H ASP 75 HN ASP 75 10.237 5.794 10.790 590 HA ASP 75 HA ASP 75 10.379 8.133 12.328 591 1HB ASP 75 HB2 ASP 75 8.321 6.601 11.044 592 2HB ASP 75 HB1 ASP 75 7.748 7.094 12.639 593 H GLY 76 HN GLY 76 8.737 8.334 14.371 594 1HA GLY 76 HA2 GLY 76 10.075 7.026 16.543 595 2HA GLY 76 HA1 GLY 76 8.578 7.948 16.681 596 H ALA 77 HN ALA 77 7.514 6.458 18.033 597 HA ALA 77 HA ALA 77 7.368 3.630 17.379 598 1HB ALA 77 HB2 ALA 77 6.922 5.069 19.655 599 2HB ALA 77 HB1 ALA 77 5.268 4.778 19.115 600 3HB ALA 77 HB3 ALA 77 6.350 3.418 19.408 601 H MET 78 HN MET 78 5.789 6.404 16.208 602 HA MET 78 HA MET 78 3.308 4.969 15.483 603 1HB MET 78 HB2 MET 78 4.040 7.696 15.859 604 2HB MET 78 HB1 MET 78 3.549 7.510 14.175 605 1HG MET 78 HG2 MET 78 1.452 6.446 14.885 606 2HG MET 78 HG1 MET 78 1.942 6.583 16.573 607 1HE MET 78 HE1 MET 78 1.087 8.167 13.334 608 2HE MET 78 HE3 MET 78 -0.459 8.121 14.191 609 3HE MET 78 HE2 MET 78 0.257 9.666 13.741 610 H SER 79 HN SER 79 6.399 5.125 14.277 611 HA SER 79 HA SER 79 7.324 4.780 12.135 612 1HB SER 79 HB2 SER 79 4.724 3.293 11.680 613 2HB SER 79 HB1 SER 79 6.271 3.001 10.890 614 HG SER 79 HG SER 79 5.478 2.494 13.548 615 H ALA 80 HN ALA 80 4.733 4.272 10.162 616 HA ALA 80 HA ALA 80 4.083 7.103 9.705 617 1HB ALA 80 HB3 ALA 80 6.233 6.423 8.380 618 2HB ALA 80 HB2 ALA 80 5.100 5.548 7.345 619 3HB ALA 80 HB1 ALA 80 4.948 7.292 7.543 620 H LEU 81 HN LEU 81 2.248 5.443 10.584 621 HA LEU 81 HA LEU 81 0.191 4.521 10.156 622 1HB LEU 81 HB2 LEU 81 0.485 5.874 7.476 623 2HB LEU 81 HB1 LEU 81 -0.960 5.639 8.420 624 HG LEU 81 HG LEU 81 1.325 7.474 9.105 625 1HD1 LEU 81 HD13 LEU 81 -0.465 8.199 7.471 626 2HD1 LEU 81 HD12 LEU 81 -1.611 8.084 8.803 627 3HD1 LEU 81 HD11 LEU 81 -0.269 9.224 8.888 628 1HD2 LEU 81 HD21 LEU 81 -1.003 6.474 10.745 629 2HD2 LEU 81 HD23 LEU 81 0.699 6.545 11.196 630 3HD2 LEU 81 HD22 LEU 81 -0.245 8.030 11.081 631 HA PRO 82 HA PRO 82 0.702 0.585 8.307 632 1HB PRO 82 HB2 PRO 82 -1.793 0.493 6.872 633 2HB PRO 82 HB1 PRO 82 -1.356 -0.320 8.373 634 1HG PRO 82 HG2 PRO 82 -3.057 1.989 8.027 635 2HG PRO 82 HG1 PRO 82 -2.686 1.123 9.521 636 1HD PRO 82 HD2 PRO 82 -1.801 3.704 8.806 637 2HD PRO 82 HD1 PRO 82 -1.253 2.748 10.190 638 H VAL 83 HN VAL 83 1.559 -0.331 6.575 639 HA VAL 83 HA VAL 83 1.209 0.890 3.866 640 HB VAL 83 HB VAL 83 3.731 0.139 5.334 641 1HG1 VAL 83 HG13 VAL 83 3.180 -0.317 2.389 642 2HG1 VAL 83 HG12 VAL 83 4.798 0.097 2.940 643 3HG1 VAL 83 HG11 VAL 83 4.027 -1.369 3.529 644 1HG2 VAL 83 HG23 VAL 83 2.690 2.523 4.453 645 2HG2 VAL 83 HG22 VAL 83 4.386 2.225 4.810 646 3HG2 VAL 83 HG21 VAL 83 3.808 2.093 3.154 647 H LEU 84 HN LEU 84 0.219 -0.711 2.658 648 HA LEU 84 HA LEU 84 0.924 -3.497 3.387 649 1HB LEU 84 HB2 LEU 84 -1.523 -2.934 3.358 650 2HB LEU 84 HB1 LEU 84 -1.373 -2.524 1.660 651 HG LEU 84 HG LEU 84 -1.314 -4.728 0.989 652 1HD1 LEU 84 HD12 LEU 84 -0.087 -5.486 3.665 653 2HD1 LEU 84 HD11 LEU 84 -0.484 -6.623 2.383 654 3HD1 LEU 84 HD13 LEU 84 0.754 -5.404 2.112 655 1HD2 LEU 84 HD21 LEU 84 -3.365 -4.366 2.378 656 2HD2 LEU 84 HD23 LEU 84 -2.861 -6.054 2.297 657 3HD2 LEU 84 HD22 LEU 84 -2.519 -5.100 3.740 658 H MET 85 HN MET 85 2.651 -4.148 2.255 659 HA MET 85 HA MET 85 3.398 -2.888 -0.206 660 1HB MET 85 HB2 MET 85 4.803 -4.324 1.518 661 2HB MET 85 HB1 MET 85 4.334 -5.666 0.473 662 1HG MET 85 HG2 MET 85 6.248 -5.020 -0.633 663 2HG MET 85 HG1 MET 85 5.102 -3.939 -1.428 664 1HE MET 85 HE2 MET 85 4.993 -1.599 -1.333 665 2HE MET 85 HE1 MET 85 6.394 -0.618 -0.916 666 3HE MET 85 HE3 MET 85 6.546 -1.925 -2.096 667 H VAL 86 HN VAL 86 2.960 -3.507 -2.326 668 HA VAL 86 HA VAL 86 1.047 -5.788 -2.680 669 HB VAL 86 HB VAL 86 1.289 -3.508 -4.618 670 1HG1 VAL 86 HG12 VAL 86 -0.139 -5.744 -4.753 671 2HG1 VAL 86 HG11 VAL 86 -1.215 -4.834 -3.700 672 3HG1 VAL 86 HG13 VAL 86 -0.819 -4.207 -5.295 673 1HG2 VAL 86 HG21 VAL 86 -0.151 -3.517 -1.950 674 2HG2 VAL 86 HG23 VAL 86 1.014 -2.331 -2.539 675 3HG2 VAL 86 HG22 VAL 86 -0.589 -2.429 -3.268 676 H THR 87 HN THR 87 1.501 -7.317 -4.270 677 HA THR 87 HA THR 87 3.671 -6.714 -6.204 678 HB THR 87 HB THR 87 5.138 -7.633 -4.665 679 HG1 THR 87 HG1 THR 87 4.560 -9.101 -6.622 680 1HG2 THR 87 HG22 THR 87 2.694 -9.052 -3.687 681 2HG2 THR 87 HG21 THR 87 4.274 -9.737 -3.306 682 3HG2 THR 87 HG23 THR 87 3.874 -8.100 -2.786 683 H ALA 88 HN ALA 88 3.883 -8.547 -7.809 684 HA ALA 88 HA ALA 88 1.186 -9.704 -8.313 685 1HB ALA 88 HB1 ALA 88 2.652 -8.291 -10.022 686 2HB ALA 88 HB3 ALA 88 3.420 -9.854 -10.303 687 3HB ALA 88 HB2 ALA 88 1.689 -9.660 -10.579 688 H GLU 89 HN GLU 89 0.884 -11.875 -8.056 689 HA GLU 89 HA GLU 89 1.410 -14.098 -7.492 690 1HB GLU 89 HB2 GLU 89 2.168 -13.912 -9.917 691 2HB GLU 89 HB1 GLU 89 3.801 -13.662 -9.297 692 1HG GLU 89 HG2 GLU 89 3.764 -15.815 -8.176 693 2HG GLU 89 HG1 GLU 89 2.072 -16.055 -8.612 694 H ALA 90 HN ALA 90 1.976 -13.851 -5.294 695 HA ALA 90 HA ALA 90 4.232 -12.726 -4.152 696 1HB ALA 90 HB2 ALA 90 2.260 -14.647 -3.353 697 2HB ALA 90 HB1 ALA 90 3.842 -15.174 -2.774 698 3HB ALA 90 HB3 ALA 90 3.234 -13.579 -2.350 699 H LYS 91 HN LYS 91 6.121 -12.962 -5.379 700 HA LYS 91 HA LYS 91 7.082 -15.580 -6.219 701 1HB LYS 91 HB2 LYS 91 7.647 -12.951 -6.919 702 2HB LYS 91 HB1 LYS 91 9.100 -13.467 -6.061 703 1HG LYS 91 HG2 LYS 91 9.132 -15.531 -7.499 704 2HG LYS 91 HG1 LYS 91 7.807 -14.838 -8.433 705 1HD LYS 91 HD2 LYS 91 9.762 -12.806 -8.214 706 2HD LYS 91 HD1 LYS 91 10.630 -14.284 -8.630 707 1HE LYS 91 HE2 LYS 91 9.109 -14.666 -10.522 708 2HE LYS 91 HE1 LYS 91 8.200 -13.215 -10.097 709 1HZ LYS 91 HZ2 LYS 91 11.035 -12.786 -10.364 710 2HZ LYS 91 HZ1 LYS 91 10.287 -13.292 -11.803 711 3HZ LYS 91 HZ3 LYS 91 9.737 -11.899 -11.007 712 H LYS 92 HN LYS 92 6.634 -14.738 -3.251 713 HA LYS 92 HA LYS 92 7.585 -15.437 -1.226 714 1HB LYS 92 HB2 LYS 92 8.372 -17.361 -2.878 715 2HB LYS 92 HB1 LYS 92 9.951 -16.615 -2.640 716 1HG LYS 92 HG2 LYS 92 9.166 -16.703 -0.078 717 2HG LYS 92 HG1 LYS 92 8.235 -18.070 -0.690 718 1HD LYS 92 HD2 LYS 92 10.359 -18.957 -1.717 719 2HD LYS 92 HD1 LYS 92 11.232 -17.674 -0.879 720 1HE LYS 92 HE2 LYS 92 10.190 -18.532 1.277 721 2HE LYS 92 HE1 LYS 92 9.643 -19.934 0.356 722 1HZ LYS 92 HZ1 LYS 92 12.473 -19.072 0.373 723 2HZ LYS 92 HZ3 LYS 92 11.852 -20.138 1.538 724 3HZ LYS 92 HZ2 LYS 92 11.832 -20.571 -0.105 725 H GLU 93 HN GLU 93 10.489 -14.878 -3.245 726 HA GLU 93 HA GLU 93 12.000 -13.545 -1.334 727 1HB GLU 93 HB2 GLU 93 12.818 -14.240 -3.581 728 2HB GLU 93 HB1 GLU 93 11.933 -12.894 -4.294 729 1HG GLU 93 HG2 GLU 93 13.927 -12.444 -2.072 730 2HG GLU 93 HG1 GLU 93 14.449 -12.543 -3.752 731 H ASN 94 HN ASN 94 9.772 -12.035 -3.696 732 HA ASN 94 HA ASN 94 10.168 -9.368 -2.738 733 1HB ASN 94 HB2 ASN 94 7.537 -9.537 -3.741 734 2HB ASN 94 HB1 ASN 94 8.976 -8.984 -4.597 735 1HD2 ASN 94 HD22 ASN 94 9.007 -11.780 -6.716 736 2HD2 ASN 94 HD21 ASN 94 9.479 -10.175 -6.434 737 H ILE 95 HN ILE 95 7.213 -11.321 -2.314 738 HA ILE 95 HA ILE 95 5.975 -9.778 -0.375 739 HB ILE 95 HB ILE 95 4.546 -11.471 -0.769 740 1HG1 ILE 95 HG12 ILE 95 6.252 -13.093 1.153 741 2HG1 ILE 95 HG11 ILE 95 5.101 -11.855 1.662 742 1HG2 ILE 95 HG22 ILE 95 7.007 -13.115 -1.341 743 2HG2 ILE 95 HG21 ILE 95 5.381 -13.780 -1.445 744 3HG2 ILE 95 HG23 ILE 95 5.854 -12.448 -2.494 745 1HD1 ILE 95 HD13 ILE 95 3.661 -13.488 -0.095 746 2HD1 ILE 95 HD12 ILE 95 4.619 -14.606 0.866 747 3HD1 ILE 95 HD11 ILE 95 3.533 -13.467 1.659 748 H ILE 96 HN ILE 96 8.518 -12.221 0.213 749 HA ILE 96 HA ILE 96 8.465 -11.758 3.089 750 HB ILE 96 HB ILE 96 10.372 -13.209 1.251 751 1HG1 ILE 96 HG12 ILE 96 8.657 -14.154 3.574 752 2HG1 ILE 96 HG11 ILE 96 8.152 -14.222 1.888 753 1HG2 ILE 96 HG22 ILE 96 10.660 -12.486 4.163 754 2HG2 ILE 96 HG21 ILE 96 11.386 -13.965 3.537 755 3HG2 ILE 96 HG23 ILE 96 11.867 -12.401 2.881 756 1HD1 ILE 96 HD13 ILE 96 10.394 -15.515 1.520 757 2HD1 ILE 96 HD12 ILE 96 10.336 -15.769 3.263 758 3HD1 ILE 96 HD11 ILE 96 9.030 -16.368 2.241 759 H ALA 97 HN ALA 97 10.248 -10.450 0.358 760 HA ALA 97 HA ALA 97 12.362 -9.205 1.795 761 1HB ALA 97 HB1 ALA 97 10.957 -8.430 -0.761 762 2HB ALA 97 HB3 ALA 97 12.378 -7.584 -0.158 763 3HB ALA 97 HB2 ALA 97 12.488 -9.286 -0.602 764 H ALA 98 HN ALA 98 9.144 -7.928 0.912 765 HA ALA 98 HA ALA 98 9.571 -5.414 2.274 766 1HB ALA 98 HB2 ALA 98 7.525 -6.502 0.679 767 2HB ALA 98 HB1 ALA 98 6.784 -6.225 2.255 768 3HB ALA 98 HB3 ALA 98 7.557 -4.891 1.398 769 H ALA 99 HN ALA 99 7.688 -8.320 3.125 770 HA ALA 99 HA ALA 99 6.993 -7.497 5.716 771 1HB ALA 99 HB3 ALA 99 6.269 -9.604 4.336 772 2HB ALA 99 HB2 ALA 99 7.644 -10.377 5.126 773 3HB ALA 99 HB1 ALA 99 6.328 -9.714 6.095 774 H GLN 100 HN GLN 100 10.044 -8.726 4.453 775 HA GLN 100 HA GLN 100 11.262 -9.618 6.854 776 1HB GLN 100 HB2 GLN 100 12.395 -9.724 4.624 777 2HB GLN 100 HB1 GLN 100 12.576 -7.971 4.660 778 1HG GLN 100 HG2 GLN 100 14.109 -8.032 6.433 779 2HG GLN 100 HG1 GLN 100 13.601 -9.642 6.942 780 1HE2 GLN 100 HE22 GLN 100 15.504 -9.962 3.371 781 2HE2 GLN 100 HE21 GLN 100 14.035 -9.123 3.511 782 H ALA 101 HN ALA 101 10.488 -6.480 5.598 783 HA ALA 101 HA ALA 101 11.750 -5.052 7.862 784 1HB ALA 101 HB1 ALA 101 11.723 -4.017 5.587 785 2HB ALA 101 HB3 ALA 101 9.963 -4.053 5.619 786 3HB ALA 101 HB2 ALA 101 10.841 -3.034 6.755 787 H GLY 102 HN GLY 102 8.806 -6.455 6.818 788 1HA GLY 102 HA2 GLY 102 6.819 -6.892 7.925 789 2HA GLY 102 HA1 GLY 102 7.609 -6.328 9.383 790 H ALA 103 HN ALA 103 5.968 -5.075 6.416 791 HA ALA 103 HA ALA 103 5.552 -2.503 7.826 792 1HB ALA 103 HB2 ALA 103 4.562 -3.650 5.205 793 2HB ALA 103 HB1 ALA 103 4.141 -2.044 5.782 794 3HB ALA 103 HB3 ALA 103 5.790 -2.434 5.416 795 H SER 104 HN SER 104 2.931 -3.282 6.018 796 HA SER 104 HA SER 104 1.244 -3.812 8.414 797 1HB SER 104 HB2 SER 104 0.352 -3.311 5.567 798 2HB SER 104 HB1 SER 104 -0.683 -3.402 6.979 799 HG SER 104 HG SER 104 0.126 -1.524 7.707 800 H GLY 105 HN GLY 105 1.977 -5.093 5.229 801 1HA GLY 105 HA2 GLY 105 2.118 -7.807 5.896 802 2HA GLY 105 HA1 GLY 105 0.441 -7.510 5.479 803 OH TYR 106 OH TYR 106 0.723 -13.413 -2.063 804 H TYR 106 HN TYR 106 0.839 -8.962 3.642 805 HA TYR 106 HA TYR 106 1.942 -7.463 1.312 806 1HB TYR 106 HB2 TYR 106 3.620 -8.956 1.046 807 2HB TYR 106 HB1 TYR 106 3.040 -9.906 2.419 808 HD1 TYR 106 HD2 TYR 106 2.652 -9.369 -1.257 809 HD2 TYR 106 HD1 TYR 106 1.713 -11.882 2.099 810 HE1 TYR 106 HE2 TYR 106 1.758 -11.089 -2.786 811 HE2 TYR 106 HE1 TYR 106 0.816 -13.597 0.569 812 HH TYR 106 HH TYR 106 0.619 -14.228 -1.567 813 H VAL 107 HN VAL 107 0.540 -7.526 -0.379 814 HA VAL 107 HA VAL 107 -1.539 -9.676 -0.416 815 HB VAL 107 HB VAL 107 -2.492 -7.465 0.332 816 1HG1 VAL 107 HG12 VAL 107 -0.788 -6.303 -1.343 817 2HG1 VAL 107 HG11 VAL 107 -2.135 -6.490 -2.465 818 3HG1 VAL 107 HG13 VAL 107 -2.346 -5.560 -0.983 819 1HG2 VAL 107 HG23 VAL 107 -3.430 -9.241 -1.666 820 2HG2 VAL 107 HG22 VAL 107 -4.394 -8.141 -0.682 821 3HG2 VAL 107 HG21 VAL 107 -3.785 -7.618 -2.251 822 H VAL 108 HN VAL 108 -1.315 -10.831 -2.263 823 HA VAL 108 HA VAL 108 0.438 -9.938 -4.366 824 HB VAL 108 HB VAL 108 0.246 -12.305 -4.081 825 1HG1 VAL 108 HG11 VAL 108 -2.706 -11.723 -4.106 826 2HG1 VAL 108 HG13 VAL 108 -2.120 -13.337 -4.506 827 3HG1 VAL 108 HG12 VAL 108 -1.768 -12.637 -2.926 828 1HG2 VAL 108 HG22 VAL 108 0.160 -11.342 -6.483 829 2HG2 VAL 108 HG21 VAL 108 -0.283 -13.035 -6.270 830 3HG2 VAL 108 HG23 VAL 108 -1.539 -11.814 -6.466 831 H LYS 109 HN LYS 109 -0.259 -9.540 -6.624 832 HA LYS 109 HA LYS 109 -3.061 -8.547 -6.866 833 1HB LYS 109 HB2 LYS 109 -2.375 -6.431 -7.310 834 2HB LYS 109 HB1 LYS 109 -0.812 -6.923 -6.679 835 1HG LYS 109 HG2 LYS 109 -0.160 -7.646 -9.006 836 2HG LYS 109 HG1 LYS 109 -1.687 -6.976 -9.587 837 1HD LYS 109 HD2 LYS 109 0.046 -5.313 -9.900 838 2HD LYS 109 HD1 LYS 109 -1.033 -4.766 -8.618 839 1HE LYS 109 HE2 LYS 109 0.596 -4.883 -7.038 840 2HE LYS 109 HE1 LYS 109 1.237 -6.399 -7.666 841 1HZ LYS 109 HZ1 LYS 109 1.622 -3.852 -9.109 842 2HZ LYS 109 HZ3 LYS 109 2.677 -4.329 -7.870 843 3HZ LYS 109 HZ2 LYS 109 2.501 -5.300 -9.254 844 HA PRO 110 HA PRO 110 -3.906 -7.256 -8.825 845 1HB PRO 110 HB2 PRO 110 -5.960 -8.458 -10.426 846 2HB PRO 110 HB1 PRO 110 -4.952 -7.063 -10.836 847 1HG PRO 110 HG2 PRO 110 -4.844 -9.651 -12.026 848 2HG PRO 110 HG1 PRO 110 -3.726 -8.307 -12.301 849 1HD PRO 110 HD2 PRO 110 -3.307 -10.755 -10.738 850 2HD PRO 110 HD1 PRO 110 -2.113 -9.558 -11.280 851 H PHE 111 HN PHE 111 -5.128 -7.328 -6.952 852 HA PHE 111 HA PHE 111 -6.285 -9.918 -6.103 853 1HB PHE 111 HB2 PHE 111 -6.930 -8.438 -4.055 854 2HB PHE 111 HB1 PHE 111 -5.238 -8.857 -4.282 855 HD1 PHE 111 HD1 PHE 111 -7.796 -6.200 -4.808 856 HD2 PHE 111 HD2 PHE 111 -3.627 -7.192 -4.755 857 HE1 PHE 111 HE1 PHE 111 -7.199 -3.803 -5.012 858 HE2 PHE 111 HE2 PHE 111 -3.048 -4.808 -4.975 859 HZ PHE 111 HZ PHE 111 -4.826 -3.106 -5.088 860 H THR 112 HN THR 112 -8.498 -9.989 -5.329 861 HA THR 112 HA THR 112 -10.299 -8.356 -7.033 862 HB THR 112 HB THR 112 -11.371 -10.441 -5.189 863 HG1 THR 112 HG1 THR 112 -10.258 -11.297 -7.599 864 1HG2 THR 112 HG22 THR 112 -12.574 -9.010 -7.020 865 2HG2 THR 112 HG21 THR 112 -11.859 -10.169 -8.142 866 3HG2 THR 112 HG23 THR 112 -12.959 -10.726 -6.881 867 H ALA 113 HN ALA 113 -11.993 -7.085 -6.020 868 HA ALA 113 HA ALA 113 -11.255 -5.661 -3.721 869 1HB ALA 113 HB2 ALA 113 -13.323 -5.435 -5.455 870 2HB ALA 113 HB1 ALA 113 -14.180 -6.140 -4.086 871 3HB ALA 113 HB3 ALA 113 -13.312 -4.618 -3.894 872 H ALA 114 HN ALA 114 -13.017 -8.709 -3.968 873 HA ALA 114 HA ALA 114 -13.687 -8.832 -1.167 874 1HB ALA 114 HB3 ALA 114 -14.484 -10.297 -3.266 875 2HB ALA 114 HB2 ALA 114 -13.178 -11.344 -2.709 876 3HB ALA 114 HB1 ALA 114 -14.513 -10.948 -1.627 877 H THR 115 HN THR 115 -10.866 -9.658 -3.082 878 HA THR 115 HA THR 115 -9.538 -11.090 -0.935 879 HB THR 115 HB THR 115 -8.586 -9.901 -3.538 880 HG1 THR 115 HG1 THR 115 -9.343 -12.351 -2.552 881 1HG2 THR 115 HG23 THR 115 -6.975 -11.201 -1.335 882 2HG2 THR 115 HG22 THR 115 -6.407 -11.096 -3.000 883 3HG2 THR 115 HG21 THR 115 -6.697 -9.625 -2.075 884 H LEU 116 HN LEU 116 -8.614 -7.873 -2.428 885 HA LEU 116 HA LEU 116 -7.030 -7.022 -0.279 886 1HB LEU 116 HB2 LEU 116 -8.025 -5.814 -2.548 887 2HB LEU 116 HB1 LEU 116 -8.824 -4.909 -1.269 888 HG LEU 116 HG LEU 116 -6.579 -4.602 -0.172 889 1HD1 LEU 116 HD12 LEU 116 -5.821 -6.475 -2.206 890 2HD1 LEU 116 HD11 LEU 116 -4.944 -4.970 -2.477 891 3HD1 LEU 116 HD13 LEU 116 -4.825 -5.792 -0.921 892 1HD2 LEU 116 HD21 LEU 116 -7.626 -3.361 -2.560 893 2HD2 LEU 116 HD23 LEU 116 -6.749 -2.616 -1.223 894 3HD2 LEU 116 HD22 LEU 116 -5.863 -3.307 -2.584 895 H GLU 117 HN GLU 117 -10.597 -7.012 -0.489 896 HA GLU 117 HA GLU 117 -11.047 -5.508 1.879 897 1HB GLU 117 HB2 GLU 117 -12.877 -5.971 0.338 898 2HB GLU 117 HB1 GLU 117 -12.706 -7.701 0.615 899 1HG GLU 117 HG2 GLU 117 -14.598 -6.684 1.898 900 2HG GLU 117 HG1 GLU 117 -13.399 -7.446 2.938 901 H GLU 118 HN GLU 118 -11.346 -9.036 1.505 902 HA GLU 118 HA GLU 118 -11.495 -9.788 4.166 903 1HB GLU 118 HB2 GLU 118 -11.294 -11.182 1.890 904 2HB GLU 118 HB1 GLU 118 -9.634 -11.375 2.454 905 1HG GLU 118 HG2 GLU 118 -10.647 -12.061 4.710 906 2HG GLU 118 HG1 GLU 118 -12.182 -12.199 3.853 907 H LYS 119 HN LYS 119 -8.459 -9.323 2.327 908 HA LYS 119 HA LYS 119 -6.663 -9.830 4.444 909 1HB LYS 119 HB2 LYS 119 -6.414 -9.043 1.824 910 2HB LYS 119 HB1 LYS 119 -5.898 -7.591 2.680 911 1HG LYS 119 HG2 LYS 119 -3.906 -8.826 2.465 912 2HG LYS 119 HG1 LYS 119 -4.440 -9.208 4.101 913 1HD LYS 119 HD2 LYS 119 -4.141 -11.364 3.399 914 2HD LYS 119 HD1 LYS 119 -5.753 -11.139 2.722 915 1HE LYS 119 HE2 LYS 119 -3.150 -10.656 1.236 916 2HE LYS 119 HE1 LYS 119 -4.193 -12.064 1.038 917 1HZ LYS 119 HZ3 LYS 119 -5.090 -9.270 0.602 918 2HZ LYS 119 HZ2 LYS 119 -4.547 -10.296 -0.639 919 3HZ LYS 119 HZ1 LYS 119 -5.946 -10.690 0.241 920 H LEU 120 HN LEU 120 -7.937 -6.645 3.392 921 HA LEU 120 HA LEU 120 -6.780 -5.131 5.471 922 1HB LEU 120 HB2 LEU 120 -9.357 -4.767 3.930 923 2HB LEU 120 HB1 LEU 120 -8.826 -3.601 5.127 924 HG LEU 120 HG LEU 120 -7.337 -4.404 2.606 925 1HD1 LEU 120 HD12 LEU 120 -9.411 -2.676 2.837 926 2HD1 LEU 120 HD11 LEU 120 -8.075 -1.595 3.232 927 3HD1 LEU 120 HD13 LEU 120 -8.094 -2.445 1.687 928 1HD2 LEU 120 HD22 LEU 120 -6.497 -2.875 5.037 929 2HD2 LEU 120 HD21 LEU 120 -5.530 -3.874 3.951 930 3HD2 LEU 120 HD23 LEU 120 -5.997 -2.245 3.470 931 H ASN 121 HN ASN 121 -9.926 -6.798 5.409 932 HA ASN 121 HA ASN 121 -10.982 -5.977 7.843 933 1HB ASN 121 HB2 ASN 121 -11.929 -7.669 6.140 934 2HB ASN 121 HB1 ASN 121 -11.019 -8.883 7.040 935 1HD2 ASN 121 HD22 ASN 121 -14.559 -7.774 8.469 936 2HD2 ASN 121 HD21 ASN 121 -14.056 -7.545 6.864 937 H LYS 122 HN LYS 122 -9.219 -9.061 7.590 938 HA LYS 122 HA LYS 122 -8.777 -9.475 10.308 939 1HB LYS 122 HB2 LYS 122 -7.035 -10.161 7.933 940 2HB LYS 122 HB1 LYS 122 -6.685 -10.726 9.568 941 1HG LYS 122 HG2 LYS 122 -8.951 -11.749 9.671 942 2HG LYS 122 HG1 LYS 122 -9.228 -11.251 8.001 943 1HD LYS 122 HD2 LYS 122 -6.712 -12.578 8.077 944 2HD LYS 122 HD1 LYS 122 -7.862 -13.586 8.955 945 1HE LYS 122 HE2 LYS 122 -8.275 -12.464 6.168 946 2HE LYS 122 HE1 LYS 122 -7.868 -14.137 6.550 947 1HZ LYS 122 HZ1 LYS 122 -10.009 -13.680 8.120 948 2HZ LYS 122 HZ3 LYS 122 -10.397 -12.771 6.742 949 3HZ LYS 122 HZ2 LYS 122 -10.066 -14.431 6.598 950 H ILE 123 HN ILE 123 -7.125 -7.205 8.197 951 HA ILE 123 HA ILE 123 -4.932 -6.755 10.073 952 HB ILE 123 HB ILE 123 -5.863 -5.325 7.587 953 1HG1 ILE 123 HG12 ILE 123 -3.241 -6.708 8.184 954 2HG1 ILE 123 HG11 ILE 123 -4.630 -7.566 7.516 955 1HG2 ILE 123 HG23 ILE 123 -3.863 -4.514 9.661 956 2HG2 ILE 123 HG22 ILE 123 -3.507 -4.182 7.966 957 3HG2 ILE 123 HG21 ILE 123 -4.957 -3.509 8.710 958 1HD1 ILE 123 HD13 ILE 123 -3.954 -5.036 6.144 959 2HD1 ILE 123 HD12 ILE 123 -2.743 -6.310 5.995 960 3HD1 ILE 123 HD11 ILE 123 -4.400 -6.602 5.465 961 H PHE 124 HN PHE 124 -7.963 -5.032 9.267 962 HA PHE 124 HA PHE 124 -7.370 -2.865 11.087 963 1HB PHE 124 HB2 PHE 124 -9.813 -3.717 9.552 964 2HB PHE 124 HB1 PHE 124 -9.917 -2.448 10.769 965 HD1 PHE 124 HD1 PHE 124 -7.972 -0.643 10.658 966 HD2 PHE 124 HD2 PHE 124 -9.229 -3.099 7.374 967 HE1 PHE 124 HE1 PHE 124 -6.934 0.955 9.079 968 HE2 PHE 124 HE2 PHE 124 -8.203 -1.490 5.794 969 HZ PHE 124 HZ PHE 124 -7.058 0.515 6.629 970 H GLU 125 HN GLU 125 -8.757 -6.028 11.456 971 HA GLU 125 HA GLU 125 -10.256 -5.534 13.849 972 1HB GLU 125 HB2 GLU 125 -9.116 -7.906 12.476 973 2HB GLU 125 HB1 GLU 125 -9.338 -8.079 14.217 974 1HG GLU 125 HG2 GLU 125 -11.684 -7.490 14.036 975 2HG GLU 125 HG1 GLU 125 -11.498 -7.115 12.323 976 H LYS 126 HN LYS 126 -6.901 -5.615 13.139 977 HA LYS 126 HA LYS 126 -6.164 -5.842 16.010 978 1HB LYS 126 HB2 LYS 126 -4.408 -5.645 13.539 979 2HB LYS 126 HB1 LYS 126 -3.841 -5.932 15.183 980 1HG LYS 126 HG2 LYS 126 -5.923 -7.761 14.035 981 2HG LYS 126 HG1 LYS 126 -4.246 -7.963 13.535 982 1HD LYS 126 HD2 LYS 126 -3.555 -8.637 15.625 983 2HD LYS 126 HD1 LYS 126 -4.766 -7.663 16.457 984 1HE LYS 126 HE2 LYS 126 -6.529 -9.234 15.753 985 2HE LYS 126 HE1 LYS 126 -5.328 -10.207 14.903 986 1HZ LYS 126 HZ2 LYS 126 -4.183 -10.140 17.248 987 2HZ LYS 126 HZ1 LYS 126 -5.780 -9.900 17.776 988 3HZ LYS 126 HZ3 LYS 126 -5.382 -11.288 16.886 989 H LEU 127 HN LEU 127 -6.426 -3.585 13.353 990 HA LEU 127 HA LEU 127 -4.994 -1.465 14.811 991 1HB LEU 127 HB2 LEU 127 -5.505 -1.911 12.106 992 2HB LEU 127 HB1 LEU 127 -6.616 -0.606 12.522 993 HG LEU 127 HG LEU 127 -4.628 0.536 13.659 994 1HD1 LEU 127 HD12 LEU 127 -3.401 -1.899 13.141 995 2HD1 LEU 127 HD11 LEU 127 -2.746 -0.843 11.890 996 3HD1 LEU 127 HD13 LEU 127 -2.573 -0.409 13.591 997 1HD2 LEU 127 HD21 LEU 127 -5.569 1.192 11.439 998 2HD2 LEU 127 HD23 LEU 127 -3.830 1.473 11.549 999 3HD2 LEU 127 HD22 LEU 127 -4.444 0.075 10.666 1000 H GLY 128 HN GLY 128 -8.139 -2.775 14.717 1001 1HA GLY 128 HA2 GLY 128 -10.211 -1.981 15.507 1002 2HA GLY 128 HA1 GLY 128 -9.221 -1.189 16.734 1003 H MET 129 HN MET 129 -10.306 -0.752 13.358 1004 HA MET 129 HA MET 129 -9.891 2.163 13.605 1005 1HB MET 129 HB2 MET 129 -10.023 0.267 11.445 1006 2HB MET 129 HB1 MET 129 -11.230 1.527 11.185 1007 1HG MET 129 HG2 MET 129 -8.327 2.080 11.862 1008 2HG MET 129 HG1 MET 129 -8.978 2.086 10.222 1009 1HE MET 129 HE3 MET 129 -7.600 4.397 10.615 1010 2HE MET 129 HE2 MET 129 -8.278 5.813 11.414 1011 3HE MET 129 HE1 MET 129 -7.623 4.495 12.381 Start of MODEL 45 Raw file had 1011 H/Q atoms Start of MODEL 45 1 H ALA 2 HN ALA 2 -13.912 0.301 8.093 2 HA ALA 2 HA ALA 2 -12.877 1.439 10.542 3 1HB ALA 2 HB3 ALA 2 -11.490 0.131 8.931 4 2HB ALA 2 HB2 ALA 2 -11.641 1.450 7.771 5 3HB ALA 2 HB1 ALA 2 -10.792 1.708 9.295 6 H ASP 3 HN ASP 3 -13.019 2.888 7.268 7 HA ASP 3 HA ASP 3 -14.152 5.363 8.335 8 1HB ASP 3 HB2 ASP 3 -11.295 5.062 8.156 9 2HB ASP 3 HB1 ASP 3 -11.826 6.262 6.977 10 H LYS 4 HN LYS 4 -14.978 6.673 6.626 11 HA LYS 4 HA LYS 4 -15.151 5.253 4.047 12 1HB LYS 4 HB2 LYS 4 -16.539 7.738 5.073 13 2HB LYS 4 HB1 LYS 4 -16.843 7.011 3.499 14 1HG LYS 4 HG2 LYS 4 -17.005 4.918 5.418 15 2HG LYS 4 HG1 LYS 4 -17.944 6.270 6.051 16 1HD LYS 4 HD2 LYS 4 -19.238 6.406 3.995 17 2HD LYS 4 HD1 LYS 4 -18.236 5.167 3.241 18 1HE LYS 4 HE2 LYS 4 -19.608 3.591 4.064 19 2HE LYS 4 HE1 LYS 4 -19.163 4.085 5.697 20 1HZ LYS 4 HZ3 LYS 4 -21.015 5.887 4.473 21 2HZ LYS 4 HZ2 LYS 4 -21.633 4.307 4.575 22 3HZ LYS 4 HZ1 LYS 4 -21.101 5.107 5.976 23 H GLU 5 HN GLU 5 -12.870 7.189 5.245 24 HA GLU 5 HA GLU 5 -12.148 8.200 2.578 25 1HB GLU 5 HB2 GLU 5 -12.684 10.062 4.911 26 2HB GLU 5 HB1 GLU 5 -11.798 10.536 3.463 27 1HG GLU 5 HG2 GLU 5 -13.842 9.751 2.132 28 2HG GLU 5 HG1 GLU 5 -14.694 9.695 3.676 29 H LEU 6 HN LEU 6 -10.759 6.263 3.897 30 HA LEU 6 HA LEU 6 -8.720 7.415 5.592 31 1HB LEU 6 HB2 LEU 6 -9.460 5.066 5.827 32 2HB LEU 6 HB1 LEU 6 -8.850 4.715 4.221 33 HG LEU 6 HG LEU 6 -6.562 5.142 4.919 34 1HD1 LEU 6 HD12 LEU 6 -7.924 6.172 7.396 35 2HD1 LEU 6 HD11 LEU 6 -6.295 5.506 7.510 36 3HD1 LEU 6 HD13 LEU 6 -6.607 6.896 6.470 37 1HD2 LEU 6 HD22 LEU 6 -8.228 3.338 6.649 38 2HD2 LEU 6 HD21 LEU 6 -7.081 2.922 5.377 39 3HD2 LEU 6 HD23 LEU 6 -6.499 3.496 6.939 40 H LYS 7 HN LYS 7 -6.804 8.315 4.888 41 HA LYS 7 HA LYS 7 -6.496 8.943 2.116 42 1HB LYS 7 HB2 LYS 7 -4.824 9.299 4.572 43 2HB LYS 7 HB1 LYS 7 -4.103 9.599 2.992 44 1HG LYS 7 HG2 LYS 7 -5.613 11.331 2.489 45 2HG LYS 7 HG1 LYS 7 -6.768 10.800 3.711 46 1HD LYS 7 HD2 LYS 7 -5.418 11.604 5.492 47 2HD LYS 7 HD1 LYS 7 -4.005 11.772 4.450 48 1HE LYS 7 HE2 LYS 7 -6.539 13.340 3.956 49 2HE LYS 7 HE1 LYS 7 -5.274 13.932 5.034 50 1HZ LYS 7 HZ1 LYS 7 -4.844 13.136 2.206 51 2HZ LYS 7 HZ3 LYS 7 -5.042 14.735 2.734 52 3HZ LYS 7 HZ2 LYS 7 -3.697 13.832 3.248 53 H PHE 8 HN PHE 8 -5.995 7.445 0.593 54 HA PHE 8 HA PHE 8 -3.949 5.372 1.237 55 1HB PHE 8 HB2 PHE 8 -6.023 5.564 -0.974 56 2HB PHE 8 HB1 PHE 8 -4.759 4.356 -0.950 57 HD1 PHE 8 HD1 PHE 8 -7.861 5.513 0.617 58 HD2 PHE 8 HD2 PHE 8 -4.793 2.523 0.659 59 HE1 PHE 8 HE1 PHE 8 -9.270 4.086 2.065 60 HE2 PHE 8 HE2 PHE 8 -6.198 1.092 2.123 61 HZ PHE 8 HZ PHE 8 -8.442 1.877 2.825 62 H LEU 9 HN LEU 9 -2.148 5.166 -0.156 63 HA LEU 9 HA LEU 9 -1.812 7.364 -2.166 64 1HB LEU 9 HB2 LEU 9 -0.400 7.832 -0.207 65 2HB LEU 9 HB1 LEU 9 0.297 6.221 -0.307 66 HG LEU 9 HG LEU 9 1.213 6.748 -2.534 67 1HD1 LEU 9 HD13 LEU 9 -0.388 9.237 -2.090 68 2HD1 LEU 9 HD12 LEU 9 1.118 9.362 -3.000 69 3HD1 LEU 9 HD11 LEU 9 -0.168 8.296 -3.565 70 1HD2 LEU 9 HD23 LEU 9 1.816 8.668 -0.284 71 2HD2 LEU 9 HD22 LEU 9 2.689 7.199 -0.729 72 3HD2 LEU 9 HD21 LEU 9 2.769 8.621 -1.768 73 H VAL 10 HN VAL 10 -2.086 6.243 -4.059 74 HA VAL 10 HA VAL 10 -0.968 3.510 -4.278 75 HB VAL 10 HB VAL 10 -2.126 4.647 -6.709 76 1HG1 VAL 10 HG13 VAL 10 -1.753 2.216 -6.094 77 2HG1 VAL 10 HG12 VAL 10 -3.064 2.387 -4.927 78 3HG1 VAL 10 HG11 VAL 10 -3.384 2.596 -6.648 79 1HG2 VAL 10 HG21 VAL 10 -3.717 4.669 -4.125 80 2HG2 VAL 10 HG23 VAL 10 -3.441 6.024 -5.218 81 3HG2 VAL 10 HG22 VAL 10 -4.461 4.681 -5.722 82 H VAL 11 HN VAL 11 1.172 3.401 -4.771 83 HA VAL 11 HA VAL 11 2.279 5.346 -6.718 84 HB VAL 11 HB VAL 11 3.752 3.753 -4.612 85 1HG1 VAL 11 HG12 VAL 11 4.577 5.756 -6.706 86 2HG1 VAL 11 HG11 VAL 11 5.502 5.600 -5.212 87 3HG1 VAL 11 HG13 VAL 11 5.328 4.216 -6.291 88 1HG2 VAL 11 HG22 VAL 11 2.302 6.289 -4.534 89 2HG2 VAL 11 HG21 VAL 11 2.957 5.334 -3.203 90 3HG2 VAL 11 HG23 VAL 11 3.993 6.467 -4.065 91 H ASP 12 HN ASP 12 2.246 4.339 -8.701 92 HA ASP 12 HA ASP 12 3.934 2.041 -9.152 93 1HB ASP 12 HB2 ASP 12 1.848 1.009 -8.094 94 2HB ASP 12 HB1 ASP 12 0.973 1.527 -9.535 95 H ASP 13 HN ASP 13 4.751 2.597 -11.149 96 HA ASP 13 HA ASP 13 3.617 4.426 -12.970 97 1HB ASP 13 HB2 ASP 13 5.869 2.766 -12.942 98 2HB ASP 13 HB1 ASP 13 4.949 2.212 -14.341 99 H PHE 14 HN PHE 14 1.905 4.214 -14.477 100 HA PHE 14 HA PHE 14 0.984 1.592 -15.348 101 1HB PHE 14 HB2 PHE 14 -0.870 1.281 -13.985 102 2HB PHE 14 HB1 PHE 14 0.246 1.998 -12.825 103 HD1 PHE 14 HD2 PHE 14 0.225 4.858 -13.666 104 HD2 PHE 14 HD1 PHE 14 -2.969 2.060 -13.357 105 HE1 PHE 14 HE2 PHE 14 -1.367 6.730 -13.377 106 HE2 PHE 14 HE1 PHE 14 -4.588 3.912 -13.087 107 HZ PHE 14 HZ PHE 14 -3.785 6.257 -13.096 108 H SER 15 HN SER 15 -1.756 2.291 -15.504 109 HA SER 15 HA SER 15 -2.349 4.791 -16.712 110 1HB SER 15 HB2 SER 15 -1.671 4.528 -18.856 111 2HB SER 15 HB1 SER 15 -0.947 2.980 -18.432 112 HG SER 15 HG SER 15 -2.478 2.143 -19.591 113 H THR 16 HN THR 16 -3.094 2.176 -15.142 114 HA THR 16 HA THR 16 -5.976 2.299 -15.639 115 HB THR 16 HB THR 16 -5.840 0.705 -17.291 116 HG1 THR 16 HG1 THR 16 -5.368 -0.755 -14.910 117 1HG2 THR 16 HG22 THR 16 -3.133 0.130 -16.070 118 2HG2 THR 16 HG21 THR 16 -3.828 -0.951 -17.268 119 3HG2 THR 16 HG23 THR 16 -3.506 0.727 -17.686 120 H MET 17 HN MET 17 -3.566 -0.003 -14.377 121 HA MET 17 HA MET 17 -4.791 -1.216 -12.291 122 1HB MET 17 HB2 MET 17 -2.559 -1.792 -12.512 123 2HB MET 17 HB1 MET 17 -2.030 -0.122 -12.614 124 1HG MET 17 HG2 MET 17 -2.050 0.171 -10.301 125 2HG MET 17 HG1 MET 17 -3.209 -1.123 -10.055 126 1HE MET 17 HE1 MET 17 -1.826 -1.380 -8.154 127 2HE MET 17 HE3 MET 17 -1.908 -3.125 -8.427 128 3HE MET 17 HE2 MET 17 -0.368 -2.362 -8.040 129 NH1 ARG 18 NH2 ARG 18 1.070 6.140 -11.217 130 NH2 ARG 18 NH1 ARG 18 -0.477 7.784 -11.111 131 H ARG 18 HN ARG 18 -2.910 1.752 -11.418 132 HA ARG 18 HA ARG 18 -4.090 2.127 -8.941 133 1HB ARG 18 HB2 ARG 18 -3.516 4.495 -10.714 134 2HB ARG 18 HB1 ARG 18 -3.411 4.396 -8.965 135 1HG ARG 18 HG2 ARG 18 -1.611 2.648 -9.250 136 2HG ARG 18 HG1 ARG 18 -1.613 3.016 -10.971 137 1HD ARG 18 HD2 ARG 18 -1.111 5.041 -8.771 138 2HD ARG 18 HD1 ARG 18 0.144 4.281 -9.747 139 HE ARG 18 HE ARG 18 -1.927 5.640 -11.309 140 1HH1 ARG 18 HH21 ARG 18 1.309 5.171 -11.163 141 2HH1 ARG 18 HH22 ARG 18 1.779 6.820 -11.404 142 1HH2 ARG 18 HH11 ARG 18 -1.425 8.075 -10.978 143 2HH2 ARG 18 HH12 ARG 18 0.232 8.463 -11.299 144 NH1 ARG 19 NH1 ARG 19 -8.962 4.350 -17.174 145 NH2 ARG 19 NH2 ARG 19 -10.407 2.885 -16.239 146 H ARG 19 HN ARG 19 -5.566 2.725 -12.074 147 HA ARG 19 HA ARG 19 -7.798 4.253 -10.947 148 1HB ARG 19 HB2 ARG 19 -6.841 3.615 -13.568 149 2HB ARG 19 HB1 ARG 19 -8.504 3.045 -13.446 150 1HG ARG 19 HG2 ARG 19 -9.188 5.276 -12.602 151 2HG ARG 19 HG1 ARG 19 -7.527 5.840 -12.794 152 1HD ARG 19 HD2 ARG 19 -8.707 6.525 -14.767 153 2HD ARG 19 HD1 ARG 19 -7.696 5.158 -15.236 154 HE ARG 19 HE ARG 19 -10.589 4.786 -14.578 155 1HH1 ARG 19 HH11 ARG 19 -8.428 5.192 -17.120 156 2HH1 ARG 19 HH12 ARG 19 -8.925 3.785 -18.000 157 1HH2 ARG 19 HH21 ARG 19 -10.980 2.606 -15.468 158 2HH2 ARG 19 HH22 ARG 19 -10.370 2.321 -17.064 159 H ILE 20 HN ILE 20 -7.089 0.890 -11.707 160 HA ILE 20 HA ILE 20 -9.779 -0.094 -11.430 161 HB ILE 20 HB ILE 20 -7.046 -1.249 -11.559 162 1HG1 ILE 20 HG12 ILE 20 -9.674 -2.265 -12.665 163 2HG1 ILE 20 HG11 ILE 20 -8.741 -0.990 -13.449 164 1HG2 ILE 20 HG23 ILE 20 -9.339 -2.648 -10.158 165 2HG2 ILE 20 HG22 ILE 20 -8.012 -3.524 -10.914 166 3HG2 ILE 20 HG21 ILE 20 -7.686 -2.426 -9.577 167 1HD1 ILE 20 HD11 ILE 20 -7.229 -3.427 -12.683 168 2HD1 ILE 20 HD13 ILE 20 -8.390 -3.615 -13.997 169 3HD1 ILE 20 HD12 ILE 20 -7.094 -2.426 -14.129 170 H VAL 21 HN VAL 21 -7.018 -0.143 -9.149 171 HA VAL 21 HA VAL 21 -8.428 -1.144 -6.918 172 HB VAL 21 HB VAL 21 -6.631 0.654 -5.812 173 1HG1 VAL 21 HG12 VAL 21 -6.209 -2.164 -6.842 174 2HG1 VAL 21 HG11 VAL 21 -5.109 -1.333 -5.741 175 3HG1 VAL 21 HG13 VAL 21 -6.758 -1.698 -5.231 176 1HG2 VAL 21 HG23 VAL 21 -6.047 1.236 -8.215 177 2HG2 VAL 21 HG22 VAL 21 -4.697 0.706 -7.210 178 3HG2 VAL 21 HG21 VAL 21 -5.420 -0.406 -8.371 179 NH1 ARG 22 NH2 ARG 22 -10.515 7.939 -7.282 180 NH2 ARG 22 NH1 ARG 22 -9.496 9.871 -7.867 181 H ARG 22 HN ARG 22 -8.071 2.204 -8.081 182 HA ARG 22 HA ARG 22 -9.150 3.693 -6.013 183 1HB ARG 22 HB2 ARG 22 -9.109 3.903 -8.933 184 2HB ARG 22 HB1 ARG 22 -10.495 4.714 -8.209 185 1HG ARG 22 HG2 ARG 22 -8.993 5.941 -6.686 186 2HG ARG 22 HG1 ARG 22 -7.601 5.121 -7.394 187 1HD ARG 22 HD2 ARG 22 -7.676 6.360 -9.325 188 2HD ARG 22 HD1 ARG 22 -9.432 6.509 -9.285 189 HE ARG 22 HE ARG 22 -7.515 8.290 -7.928 190 1HH1 ARG 22 HH21 ARG 22 -10.495 6.944 -7.187 191 2HH1 ARG 22 HH22 ARG 22 -11.336 8.449 -7.023 192 1HH2 ARG 22 HH11 ARG 22 -8.695 10.354 -8.219 193 2HH2 ARG 22 HH12 ARG 22 -10.316 10.382 -7.608 194 H ASN 23 HN ASN 23 -11.082 2.049 -8.530 195 HA ASN 23 HA ASN 23 -13.638 2.560 -7.382 196 1HB ASN 23 HB2 ASN 23 -12.610 1.376 -9.642 197 2HB ASN 23 HB1 ASN 23 -13.256 0.011 -8.773 198 1HD2 ASN 23 HD22 ASN 23 -16.604 1.712 -8.695 199 2HD2 ASN 23 HD21 ASN 23 -15.500 1.217 -7.505 200 H LEU 24 HN LEU 24 -11.666 -0.364 -7.420 201 HA LEU 24 HA LEU 24 -12.997 -2.120 -5.812 202 1HB LEU 24 HB2 LEU 24 -10.644 -2.299 -6.809 203 2HB LEU 24 HB1 LEU 24 -10.088 -1.479 -5.362 204 HG LEU 24 HG LEU 24 -11.822 -3.699 -4.647 205 1HD1 LEU 24 HD12 LEU 24 -9.472 -4.300 -6.461 206 2HD1 LEU 24 HD11 LEU 24 -10.254 -5.503 -5.435 207 3HD1 LEU 24 HD13 LEU 24 -11.161 -4.727 -6.732 208 1HD2 LEU 24 HD21 LEU 24 -8.968 -2.884 -4.108 209 2HD2 LEU 24 HD23 LEU 24 -10.317 -3.004 -2.983 210 3HD2 LEU 24 HD22 LEU 24 -9.549 -4.464 -3.601 211 H LEU 25 HN LEU 25 -10.743 0.320 -4.446 212 HA LEU 25 HA LEU 25 -11.454 -0.109 -1.725 213 1HB LEU 25 HB2 LEU 25 -10.350 2.256 -3.235 214 2HB LEU 25 HB1 LEU 25 -10.747 2.395 -1.530 215 HG LEU 25 HG LEU 25 -9.070 0.082 -2.433 216 1HD1 LEU 25 HD11 LEU 25 -8.293 2.966 -2.399 217 2HD1 LEU 25 HD13 LEU 25 -7.142 1.808 -1.738 218 3HD1 LEU 25 HD12 LEU 25 -7.687 1.652 -3.408 219 1HD2 LEU 25 HD23 LEU 25 -9.157 1.814 0.062 220 2HD2 LEU 25 HD22 LEU 25 -9.834 0.195 -0.094 221 3HD2 LEU 25 HD21 LEU 25 -8.090 0.432 -0.171 222 H LYS 26 HN LYS 26 -12.669 2.347 -4.022 223 HA LYS 26 HA LYS 26 -14.575 3.559 -2.410 224 1HB LYS 26 HB2 LYS 26 -13.952 3.715 -5.057 225 2HB LYS 26 HB1 LYS 26 -15.522 2.915 -5.137 226 1HG LYS 26 HG2 LYS 26 -16.303 4.742 -3.470 227 2HG LYS 26 HG1 LYS 26 -14.844 5.605 -3.958 228 1HD LYS 26 HD2 LYS 26 -15.653 5.152 -6.386 229 2HD LYS 26 HD1 LYS 26 -17.218 4.826 -5.640 230 1HE LYS 26 HE2 LYS 26 -17.429 7.101 -5.998 231 2HE LYS 26 HE1 LYS 26 -16.702 7.121 -4.392 232 1HZ LYS 26 HZ3 LYS 26 -14.744 6.947 -6.464 233 2HZ LYS 26 HZ2 LYS 26 -15.711 8.335 -6.625 234 3HZ LYS 26 HZ1 LYS 26 -14.863 8.051 -5.181 235 H GLU 27 HN GLU 27 -14.661 0.369 -3.891 236 HA GLU 27 HA GLU 27 -17.360 -0.271 -3.733 237 1HB GLU 27 HB2 GLU 27 -15.311 -1.748 -4.403 238 2HB GLU 27 HB1 GLU 27 -15.314 -2.218 -2.702 239 1HG GLU 27 HG2 GLU 27 -17.786 -2.754 -2.977 240 2HG GLU 27 HG1 GLU 27 -17.548 -2.555 -4.714 241 H LEU 28 HN LEU 28 -14.973 -0.190 -1.104 242 HA LEU 28 HA LEU 28 -16.914 -1.038 0.896 243 1HB LEU 28 HB2 LEU 28 -14.419 -1.322 1.155 244 2HB LEU 28 HB1 LEU 28 -14.289 0.427 1.332 245 HG LEU 28 HG LEU 28 -16.304 -0.848 3.092 246 1HD1 LEU 28 HD11 LEU 28 -13.341 -1.411 3.363 247 2HD1 LEU 28 HD13 LEU 28 -14.496 -1.601 4.683 248 3HD1 LEU 28 HD12 LEU 28 -14.645 -2.592 3.232 249 1HD2 LEU 28 HD22 LEU 28 -15.346 1.596 3.040 250 2HD2 LEU 28 HD21 LEU 28 -15.610 0.816 4.597 251 3HD2 LEU 28 HD23 LEU 28 -13.990 0.892 3.913 252 H GLY 29 HN GLY 29 -15.173 2.052 0.536 253 1HA GLY 29 HA2 GLY 29 -17.299 3.795 0.323 254 2HA GLY 29 HA1 GLY 29 -17.159 3.477 2.044 255 H PHE 30 HN PHE 30 -14.220 3.421 0.169 256 HA PHE 30 HA PHE 30 -13.290 5.795 1.664 257 1HB PHE 30 HB2 PHE 30 -11.808 4.010 -0.284 258 2HB PHE 30 HB1 PHE 30 -11.080 5.221 0.758 259 HD1 PHE 30 HD2 PHE 30 -11.659 4.949 3.349 260 HD2 PHE 30 HD1 PHE 30 -11.848 1.795 0.447 261 HE1 PHE 30 HE2 PHE 30 -11.405 3.268 5.157 262 HE2 PHE 30 HE1 PHE 30 -11.606 0.115 2.254 263 HZ PHE 30 HZ PHE 30 -11.385 0.854 4.609 264 H ASN 31 HN ASN 31 -12.610 7.737 0.625 265 HA ASN 31 HA ASN 31 -12.812 7.893 -2.319 266 1HB ASN 31 HB2 ASN 31 -15.113 8.332 -1.519 267 2HB ASN 31 HB1 ASN 31 -14.502 9.638 -0.505 268 1HD2 ASN 31 HD22 ASN 31 -13.764 10.410 -4.447 269 2HD2 ASN 31 HD21 ASN 31 -13.155 9.002 -3.721 270 H ASN 32 HN ASN 32 -10.406 8.163 -1.237 271 HA ASN 32 HA ASN 32 -9.657 10.881 -1.792 272 1HB ASN 32 HB2 ASN 32 -10.684 10.670 0.744 273 2HB ASN 32 HB1 ASN 32 -8.966 10.406 1.036 274 1HD2 ASN 32 HD22 ASN 32 -10.284 14.107 0.014 275 2HD2 ASN 32 HD21 ASN 32 -11.357 12.799 0.153 276 H VAL 33 HN VAL 33 -7.894 10.175 -2.957 277 HA VAL 33 HA VAL 33 -5.703 8.932 -1.404 278 HB VAL 33 HB VAL 33 -5.461 7.028 -2.685 279 1HG1 VAL 33 HG11 VAL 33 -7.722 6.985 -1.627 280 2HG1 VAL 33 HG13 VAL 33 -8.401 7.596 -3.133 281 3HG1 VAL 33 HG12 VAL 33 -7.629 6.011 -3.090 282 1HG2 VAL 33 HG23 VAL 33 -6.731 8.637 -4.908 283 2HG2 VAL 33 HG22 VAL 33 -5.115 7.925 -4.851 284 3HG2 VAL 33 HG21 VAL 33 -6.528 6.892 -5.034 285 H GLU 34 HN GLU 34 -3.736 8.700 -3.064 286 HA GLU 34 HA GLU 34 -3.709 11.006 -4.939 287 1HB GLU 34 HB2 GLU 34 -2.172 10.754 -2.441 288 2HB GLU 34 HB1 GLU 34 -1.202 11.167 -3.851 289 1HG GLU 34 HG2 GLU 34 -3.766 12.612 -3.141 290 2HG GLU 34 HG1 GLU 34 -2.179 13.162 -2.607 291 H GLU 35 HN GLU 35 -1.102 10.813 -5.791 292 HA GLU 35 HA GLU 35 -0.586 7.954 -6.316 293 1HB GLU 35 HB2 GLU 35 -1.208 9.951 -8.505 294 2HB GLU 35 HB1 GLU 35 -0.574 8.328 -8.775 295 1HG GLU 35 HG2 GLU 35 -2.590 7.464 -7.469 296 2HG GLU 35 HG1 GLU 35 -3.250 9.095 -7.596 297 H ALA 36 HN ALA 36 1.525 7.527 -6.935 298 HA ALA 36 HA ALA 36 3.347 9.829 -7.429 299 1HB ALA 36 HB2 ALA 36 3.200 8.415 -4.966 300 2HB ALA 36 HB1 ALA 36 4.697 7.918 -5.759 301 3HB ALA 36 HB3 ALA 36 4.385 9.626 -5.441 302 H GLU 37 HN GLU 37 5.719 8.470 -7.690 303 HA GLU 37 HA GLU 37 5.100 6.219 -9.567 304 1HB GLU 37 HB2 GLU 37 7.328 8.088 -10.236 305 2HB GLU 37 HB1 GLU 37 6.294 7.143 -11.306 306 1HG GLU 37 HG2 GLU 37 5.553 9.358 -11.634 307 2HG GLU 37 HG1 GLU 37 4.384 8.696 -10.494 308 H ASP 38 HN ASP 38 6.793 7.147 -6.839 309 HA ASP 38 HA ASP 38 8.297 4.712 -6.780 310 1HB ASP 38 HB2 ASP 38 10.547 6.275 -6.703 311 2HB ASP 38 HB1 ASP 38 10.035 5.336 -8.104 312 H GLY 39 HN GLY 39 10.183 5.066 -4.991 313 1HA GLY 39 HA2 GLY 39 8.788 5.836 -2.605 314 2HA GLY 39 HA1 GLY 39 10.493 5.413 -2.691 315 H VAL 40 HN VAL 40 11.195 7.482 -4.625 316 HA VAL 40 HA VAL 40 11.701 9.630 -2.812 317 HB VAL 40 HB VAL 40 13.027 9.110 -4.904 318 1HG1 VAL 40 HG13 VAL 40 10.861 8.954 -6.293 319 2HG1 VAL 40 HG12 VAL 40 10.901 10.717 -6.324 320 3HG1 VAL 40 HG11 VAL 40 12.227 9.793 -7.029 321 1HG2 VAL 40 HG23 VAL 40 12.282 11.672 -3.773 322 2HG2 VAL 40 HG22 VAL 40 13.846 11.152 -4.400 323 3HG2 VAL 40 HG21 VAL 40 12.646 11.847 -5.490 324 H ASP 41 HN ASP 41 9.314 9.288 -5.439 325 HA ASP 41 HA ASP 41 8.143 11.891 -5.030 326 1HB ASP 41 HB2 ASP 41 7.874 10.273 -7.035 327 2HB ASP 41 HB1 ASP 41 6.640 9.490 -6.059 328 H ALA 42 HN ALA 42 7.427 8.632 -3.834 329 HA ALA 42 HA ALA 42 5.120 9.477 -2.317 330 1HB ALA 42 HB3 ALA 42 6.108 7.052 -3.065 331 2HB ALA 42 HB2 ALA 42 6.582 7.112 -1.373 332 3HB ALA 42 HB1 ALA 42 4.887 7.277 -1.811 333 H LEU 43 HN LEU 43 8.569 9.559 -1.733 334 HA LEU 43 HA LEU 43 8.438 9.653 1.152 335 1HB LEU 43 HB2 LEU 43 10.488 9.899 -0.838 336 2HB LEU 43 HB1 LEU 43 10.582 11.308 0.206 337 HG LEU 43 HG LEU 43 11.980 9.480 1.078 338 1HD1 LEU 43 HD11 LEU 43 9.993 10.916 2.485 339 2HD1 LEU 43 HD13 LEU 43 9.979 9.281 3.146 340 3HD1 LEU 43 HD12 LEU 43 11.475 10.218 3.139 341 1HD2 LEU 43 HD21 LEU 43 9.763 7.885 0.280 342 2HD2 LEU 43 HD23 LEU 43 11.283 7.342 0.989 343 3HD2 LEU 43 HD22 LEU 43 9.911 7.723 2.029 344 H ASN 44 HN ASN 44 8.344 12.096 -1.405 345 HA ASN 44 HA ASN 44 8.189 14.349 0.412 346 1HB ASN 44 HB2 ASN 44 7.861 13.894 -2.520 347 2HB ASN 44 HB1 ASN 44 7.173 15.366 -1.838 348 1HD2 ASN 44 HD22 ASN 44 11.190 15.041 -2.271 349 2HD2 ASN 44 HD21 ASN 44 10.139 13.804 -2.771 350 H LYS 45 HN LYS 45 5.844 12.171 -1.014 351 HA LYS 45 HA LYS 45 3.589 13.909 -0.250 352 1HB LYS 45 HB2 LYS 45 3.804 11.246 -1.648 353 2HB LYS 45 HB1 LYS 45 2.249 11.888 -1.131 354 1HG LYS 45 HG2 LYS 45 4.059 13.713 -2.652 355 2HG LYS 45 HG1 LYS 45 3.251 12.427 -3.551 356 1HD LYS 45 HD2 LYS 45 1.084 13.200 -2.893 357 2HD LYS 45 HD1 LYS 45 1.767 14.294 -1.689 358 1HE LYS 45 HE2 LYS 45 2.109 14.516 -4.695 359 2HE LYS 45 HE1 LYS 45 1.105 15.557 -3.686 360 1HZ LYS 45 HZ2 LYS 45 3.401 15.788 -2.413 361 2HZ LYS 45 HZ1 LYS 45 4.004 15.479 -3.971 362 3HZ LYS 45 HZ3 LYS 45 2.975 16.800 -3.709 363 H LEU 46 HN LEU 46 5.030 10.838 0.830 364 HA LEU 46 HA LEU 46 3.069 9.958 2.617 365 1HB LEU 46 HB2 LEU 46 5.963 9.612 2.353 366 2HB LEU 46 HB1 LEU 46 5.443 9.564 4.030 367 HG LEU 46 HG LEU 46 5.446 7.316 2.890 368 1HD1 LEU 46 HD11 LEU 46 3.413 8.517 4.513 369 2HD1 LEU 46 HD13 LEU 46 2.656 7.363 3.416 370 3HD1 LEU 46 HD12 LEU 46 3.952 6.839 4.488 371 1HD2 LEU 46 HD22 LEU 46 4.160 8.699 0.821 372 2HD2 LEU 46 HD21 LEU 46 4.355 6.953 0.948 373 3HD2 LEU 46 HD23 LEU 46 2.891 7.723 1.555 374 H GLN 47 HN GLN 47 5.088 12.785 2.836 375 HA GLN 47 HA GLN 47 4.374 13.190 5.693 376 1HB GLN 47 HB2 GLN 47 6.722 13.616 4.638 377 2HB GLN 47 HB1 GLN 47 5.996 15.108 4.036 378 1HG GLN 47 HG2 GLN 47 6.835 15.809 6.095 379 2HG GLN 47 HG1 GLN 47 5.180 15.373 6.525 380 1HE2 GLN 47 HE22 GLN 47 7.698 13.687 8.832 381 2HE2 GLN 47 HE21 GLN 47 7.539 15.300 8.326 382 H ALA 48 HN ALA 48 3.280 14.064 2.586 383 HA ALA 48 HA ALA 48 2.385 16.648 2.660 384 1HB ALA 48 HB3 ALA 48 1.859 15.051 0.837 385 2HB ALA 48 HB2 ALA 48 0.665 14.278 1.879 386 3HB ALA 48 HB1 ALA 48 0.431 15.946 1.354 387 H GLY 49 HN GLY 49 0.365 13.971 3.952 388 1HA GLY 49 HA2 GLY 49 -0.498 15.808 6.138 389 2HA GLY 49 HA1 GLY 49 -1.733 15.052 5.131 390 H GLY 50 HN GLY 50 0.827 12.935 5.336 391 1HA GLY 50 HA2 GLY 50 1.321 11.131 6.805 392 2HA GLY 50 HA1 GLY 50 0.117 11.756 7.933 393 OH TYR 51 OH TYR 51 -1.283 12.066 -0.778 394 H TYR 51 HN TYR 51 0.441 10.108 4.811 395 HA TYR 51 HA TYR 51 -2.272 9.440 4.434 396 1HB TYR 51 HB2 TYR 51 0.302 8.115 3.608 397 2HB TYR 51 HB1 TYR 51 -1.262 7.414 3.194 398 HD1 TYR 51 HD2 TYR 51 0.822 10.456 2.905 399 HD2 TYR 51 HD1 TYR 51 -2.629 8.343 1.484 400 HE1 TYR 51 HE2 TYR 51 0.584 12.089 1.060 401 HE2 TYR 51 HE1 TYR 51 -2.874 9.984 -0.358 402 HH TYR 51 HH TYR 51 -0.886 12.889 -0.483 403 H GLY 52 HN GLY 52 -3.593 8.006 5.407 404 1HA GLY 52 HA2 GLY 52 -2.556 6.477 7.685 405 2HA GLY 52 HA1 GLY 52 -4.245 6.590 7.195 406 H PHE 53 HN PHE 53 -2.460 5.978 4.449 407 HA PHE 53 HA PHE 53 -2.099 3.107 4.755 408 1HB PHE 53 HB2 PHE 53 -4.689 3.896 4.448 409 2HB PHE 53 HB1 PHE 53 -4.199 3.659 2.783 410 HD1 PHE 53 HD2 PHE 53 -3.291 1.443 2.055 411 HD2 PHE 53 HD1 PHE 53 -4.992 2.061 5.938 412 HE1 PHE 53 HE2 PHE 53 -3.578 -0.989 2.315 413 HE2 PHE 53 HE1 PHE 53 -5.288 -0.368 6.203 414 HZ PHE 53 HZ PHE 53 -4.570 -1.913 4.395 415 H VAL 54 HN VAL 54 -0.997 2.231 2.945 416 HA VAL 54 HA VAL 54 -0.723 3.960 0.534 417 HB VAL 54 HB VAL 54 1.680 2.833 1.962 418 1HG1 VAL 54 HG12 VAL 54 1.282 3.818 -0.662 419 2HG1 VAL 54 HG11 VAL 54 2.234 5.021 0.206 420 3HG1 VAL 54 HG13 VAL 54 2.801 3.355 0.099 421 1HG2 VAL 54 HG21 VAL 54 0.500 5.614 2.002 422 2HG2 VAL 54 HG23 VAL 54 0.849 4.576 3.385 423 3HG2 VAL 54 HG22 VAL 54 2.171 5.280 2.455 424 H ILE 55 HN ILE 55 -1.068 2.689 -1.182 425 HA ILE 55 HA ILE 55 -0.455 -0.243 -0.982 426 HB ILE 55 HB ILE 55 -2.178 1.175 -3.047 427 1HG1 ILE 55 HG12 ILE 55 -3.068 -0.280 -0.534 428 2HG1 ILE 55 HG11 ILE 55 -3.068 1.473 -0.719 429 1HG2 ILE 55 HG21 ILE 55 -1.931 -1.715 -2.167 430 2HG2 ILE 55 HG23 ILE 55 -3.050 -1.117 -3.391 431 3HG2 ILE 55 HG22 ILE 55 -1.313 -1.041 -3.676 432 1HD1 ILE 55 HD11 ILE 55 -4.596 -0.453 -2.497 433 2HD1 ILE 55 HD13 ILE 55 -5.300 0.490 -1.185 434 3HD1 ILE 55 HD12 ILE 55 -4.631 1.307 -2.597 435 H SER 56 HN SER 56 1.672 -0.396 -1.722 436 HA SER 56 HA SER 56 2.369 1.051 -4.253 437 1HB SER 56 HB2 SER 56 4.720 0.851 -3.497 438 2HB SER 56 HB1 SER 56 3.732 1.736 -2.339 439 HG SER 56 HG SER 56 3.747 0.026 -1.001 440 H ASP 57 HN ASP 57 3.841 -0.110 -5.710 441 HA ASP 57 HA ASP 57 3.093 -2.958 -5.901 442 1HB ASP 57 HB2 ASP 57 4.248 -2.818 -8.126 443 2HB ASP 57 HB1 ASP 57 2.931 -1.659 -7.947 444 CH2 TRP 58 CH2 TRP 58 10.751 -6.518 -2.462 445 H TRP 58 HN TRP 58 6.087 -2.357 -7.364 446 HA TRP 58 HA TRP 58 7.629 -3.251 -4.987 447 1HB TRP 58 HB2 TRP 58 6.965 -5.303 -6.221 448 2HB TRP 58 HB1 TRP 58 7.727 -4.656 -7.676 449 HD1 TRP 58 HD1 TRP 58 10.246 -5.066 -7.954 450 HE1 TRP 58 HE1 TRP 58 12.126 -5.960 -6.433 451 HE3 TRP 58 HE3 TRP 58 7.715 -5.408 -3.538 452 HZ2 TRP 58 HZ2 TRP 58 12.505 -6.714 -3.691 453 HZ3 TRP 58 HZ3 TRP 58 8.854 -6.215 -1.491 454 HH2 TRP 58 HH2 TRP 58 11.241 -6.868 -1.570 455 H ASN 59 HN ASN 59 10.081 -3.400 -5.757 456 HA ASN 59 HA ASN 59 10.744 -0.745 -6.745 457 1HB ASN 59 HB2 ASN 59 12.770 -2.947 -6.411 458 2HB ASN 59 HB1 ASN 59 12.937 -1.223 -6.080 459 1HD2 ASN 59 HD22 ASN 59 12.204 -1.732 -2.686 460 2HD2 ASN 59 HD21 ASN 59 13.083 -0.882 -3.864 461 H MET 60 HN MET 60 9.652 -1.119 -8.909 462 HA MET 60 HA MET 60 11.100 -2.911 -10.732 463 1HB MET 60 HB2 MET 60 8.499 -1.713 -10.699 464 2HB MET 60 HB1 MET 60 9.320 -1.243 -12.191 465 1HG MET 60 HG2 MET 60 9.878 -3.626 -12.607 466 2HG MET 60 HG1 MET 60 8.984 -4.071 -11.153 467 1HE MET 60 HE1 MET 60 6.673 -4.639 -11.066 468 2HE MET 60 HE3 MET 60 6.465 -2.901 -10.805 469 3HE MET 60 HE2 MET 60 5.384 -3.768 -11.893 470 HA PRO 61 HA PRO 61 12.240 1.350 -12.684 471 1HB PRO 61 HB2 PRO 61 12.126 3.372 -10.643 472 2HB PRO 61 HB1 PRO 61 11.198 3.297 -12.147 473 1HG PRO 61 HG2 PRO 61 10.213 2.902 -9.487 474 2HG PRO 61 HG1 PRO 61 9.315 2.727 -11.001 475 1HD PRO 61 HD2 PRO 61 10.276 0.652 -9.215 476 2HD PRO 61 HD1 PRO 61 9.235 0.490 -10.640 477 H ASN 62 HN ASN 62 12.768 1.534 -9.147 478 HA ASN 62 HA ASN 62 15.465 0.540 -9.280 479 1HB ASN 62 HB2 ASN 62 16.509 2.778 -8.553 480 2HB ASN 62 HB1 ASN 62 16.100 2.617 -10.260 481 1HD2 ASN 62 HD22 ASN 62 13.746 5.239 -10.191 482 2HD2 ASN 62 HD21 ASN 62 14.599 4.106 -11.123 483 H MET 63 HN MET 63 16.501 1.879 -7.000 484 HA MET 63 HA MET 63 15.377 0.493 -4.858 485 1HB MET 63 HB2 MET 63 16.489 3.284 -4.520 486 2HB MET 63 HB1 MET 63 16.614 1.916 -3.413 487 1HG MET 63 HG2 MET 63 18.658 1.603 -4.352 488 2HG MET 63 HG1 MET 63 17.757 0.893 -5.691 489 1HE MET 63 HE3 MET 63 20.260 1.500 -6.175 490 2HE MET 63 HE2 MET 63 19.639 1.753 -7.804 491 3HE MET 63 HE1 MET 63 20.713 2.949 -7.084 492 H ASP 64 HN ASP 64 13.108 0.529 -4.793 493 HA ASP 64 HA ASP 64 11.894 2.852 -3.524 494 1HB ASP 64 HB2 ASP 64 11.421 3.887 -5.503 495 2HB ASP 64 HB1 ASP 64 11.640 2.410 -6.438 496 H GLY 65 HN GLY 65 10.113 2.184 -2.349 497 1HA GLY 65 HA2 GLY 65 8.120 0.795 -2.044 498 2HA GLY 65 HA1 GLY 65 8.860 -0.422 -3.034 499 H LEU 66 HN LEU 66 11.353 -0.767 -1.928 500 HA LEU 66 HA LEU 66 10.651 -1.905 0.705 501 1HB LEU 66 HB2 LEU 66 12.190 -3.006 -1.133 502 2HB LEU 66 HB1 LEU 66 13.435 -1.968 -0.434 503 HG LEU 66 HG LEU 66 12.470 -2.926 1.849 504 1HD1 LEU 66 HD12 LEU 66 11.850 -5.110 -0.159 505 2HD1 LEU 66 HD11 LEU 66 11.809 -5.295 1.592 506 3HD1 LEU 66 HD13 LEU 66 10.663 -4.221 0.792 507 1HD2 LEU 66 HD23 LEU 66 14.307 -4.450 -0.024 508 2HD2 LEU 66 HD22 LEU 66 14.785 -3.192 1.118 509 3HD2 LEU 66 HD21 LEU 66 14.179 -4.738 1.712 510 H GLU 67 HN GLU 67 12.924 0.456 -0.693 511 HA GLU 67 HA GLU 67 13.971 1.372 1.826 512 1HB GLU 67 HB2 GLU 67 14.140 2.143 -0.971 513 2HB GLU 67 HB1 GLU 67 13.931 3.565 0.050 514 1HG GLU 67 HG2 GLU 67 15.986 1.408 0.598 515 2HG GLU 67 HG1 GLU 67 16.339 2.881 -0.305 516 H LEU 68 HN LEU 68 11.005 1.725 0.165 517 HA LEU 68 HA LEU 68 10.058 4.190 1.332 518 1HB LEU 68 HB2 LEU 68 8.970 1.930 -0.219 519 2HB LEU 68 HB1 LEU 68 7.809 2.677 0.841 520 HG LEU 68 HG LEU 68 9.521 4.275 -1.022 521 1HD1 LEU 68 HD13 LEU 68 7.024 2.705 -1.529 522 2HD1 LEU 68 HD12 LEU 68 7.155 4.282 -2.287 523 3HD1 LEU 68 HD11 LEU 68 8.364 3.045 -2.625 524 1HD2 LEU 68 HD22 LEU 68 7.899 4.995 1.070 525 2HD2 LEU 68 HD21 LEU 68 8.298 6.037 -0.294 526 3HD2 LEU 68 HD23 LEU 68 6.799 5.105 -0.301 527 H LEU 69 HN LEU 69 9.173 0.810 1.965 528 HA LEU 69 HA LEU 69 7.751 1.040 4.342 529 1HB LEU 69 HB2 LEU 69 8.976 -0.986 2.866 530 2HB LEU 69 HB1 LEU 69 9.680 -1.125 4.471 531 HG LEU 69 HG LEU 69 6.711 -1.007 3.916 532 1HD1 LEU 69 HD13 LEU 69 8.589 -3.176 3.618 533 2HD1 LEU 69 HD12 LEU 69 7.498 -3.531 4.956 534 3HD1 LEU 69 HD11 LEU 69 6.846 -3.186 3.354 535 1HD2 LEU 69 HD21 LEU 69 8.277 -0.795 6.328 536 2HD2 LEU 69 HD23 LEU 69 6.521 -0.761 6.152 537 3HD2 LEU 69 HD22 LEU 69 7.356 -2.299 6.369 538 H LYS 70 HN LYS 70 11.233 0.247 4.252 539 HA LYS 70 HA LYS 70 11.913 0.540 6.898 540 1HB LYS 70 HB2 LYS 70 13.312 0.635 4.409 541 2HB LYS 70 HB1 LYS 70 13.935 1.927 5.436 542 1HG LYS 70 HG2 LYS 70 14.357 0.346 7.244 543 2HG LYS 70 HG1 LYS 70 13.623 -0.960 6.312 544 1HD LYS 70 HD2 LYS 70 15.789 0.505 4.927 545 2HD LYS 70 HD1 LYS 70 16.299 -0.437 6.329 546 1HE LYS 70 HE2 LYS 70 14.486 -1.635 4.239 547 2HE LYS 70 HE1 LYS 70 16.237 -1.632 4.026 548 1HZ LYS 70 HZ3 LYS 70 16.404 -2.701 6.236 549 2HZ LYS 70 HZ2 LYS 70 14.711 -2.832 6.271 550 3HZ LYS 70 HZ1 LYS 70 15.605 -3.656 5.085 551 H THR 71 HN THR 71 11.762 3.267 4.569 552 HA THR 71 HA THR 71 12.371 5.276 6.522 553 HB THR 71 HB THR 71 10.944 6.693 4.752 554 HG1 THR 71 HG1 THR 71 11.722 5.103 2.809 555 1HG2 THR 71 HG22 THR 71 13.650 5.419 4.273 556 2HG2 THR 71 HG21 THR 71 13.023 6.787 3.353 557 3HG2 THR 71 HG23 THR 71 13.332 6.953 5.082 558 H ILE 72 HN ILE 72 9.379 3.705 5.548 559 HA ILE 72 HA ILE 72 7.643 5.521 7.016 560 HB ILE 72 HB ILE 72 7.191 2.708 5.980 561 1HG1 ILE 72 HG12 ILE 72 6.069 5.249 4.805 562 2HG1 ILE 72 HG11 ILE 72 7.711 4.762 4.407 563 1HG2 ILE 72 HG23 ILE 72 5.480 4.651 7.450 564 2HG2 ILE 72 HG22 ILE 72 4.729 3.812 6.092 565 3HG2 ILE 72 HG21 ILE 72 5.414 2.887 7.428 566 1HD1 ILE 72 HD11 ILE 72 5.931 2.487 4.142 567 2HD1 ILE 72 HD13 ILE 72 5.319 3.847 3.207 568 3HD1 ILE 72 HD12 ILE 72 6.946 3.245 2.924 569 NH1 ARG 73 NH2 ARG 73 10.484 -1.460 13.342 570 NH2 ARG 73 NH1 ARG 73 9.239 -3.214 12.647 571 H ARG 73 HN ARG 73 9.372 2.547 7.724 572 HA ARG 73 HA ARG 73 8.057 2.267 10.352 573 1HB ARG 73 HB2 ARG 73 9.294 0.490 8.557 574 2HB ARG 73 HB1 ARG 73 10.380 0.571 9.943 575 1HG ARG 73 HG2 ARG 73 7.396 0.031 10.094 576 2HG ARG 73 HG1 ARG 73 8.655 -1.197 10.216 577 1HD ARG 73 HD2 ARG 73 9.539 0.518 12.106 578 2HD ARG 73 HD1 ARG 73 7.811 0.851 12.198 579 HE ARG 73 HE ARG 73 7.461 -1.363 13.009 580 1HH1 ARG 73 HH21 ARG 73 10.576 -0.481 13.524 581 2HH1 ARG 73 HH22 ARG 73 11.255 -2.074 13.509 582 1HH2 ARG 73 HH11 ARG 73 8.376 -3.579 12.298 583 2HH2 ARG 73 HH12 ARG 73 10.010 -3.829 12.814 584 H ALA 74 HN ALA 74 10.880 3.691 8.964 585 HA ALA 74 HA ALA 74 12.776 3.606 11.006 586 1HB ALA 74 HB3 ALA 74 13.044 4.782 8.803 587 2HB ALA 74 HB2 ALA 74 12.049 6.094 9.433 588 3HB ALA 74 HB1 ALA 74 13.607 5.733 10.177 589 H ASP 75 HN ASP 75 9.745 5.363 10.908 590 HA ASP 75 HA ASP 75 10.249 7.127 13.110 591 1HB ASP 75 HB2 ASP 75 8.302 7.169 11.410 592 2HB ASP 75 HB1 ASP 75 7.542 5.963 12.450 593 H GLY 76 HN GLY 76 11.103 6.118 14.926 594 1HA GLY 76 HA2 GLY 76 10.066 3.578 15.906 595 2HA GLY 76 HA1 GLY 76 11.243 4.602 16.731 596 H ALA 77 HN ALA 77 7.915 5.313 15.652 597 HA ALA 77 HA ALA 77 6.989 5.430 18.443 598 1HB ALA 77 HB3 ALA 77 7.933 7.780 17.092 599 2HB ALA 77 HB2 ALA 77 6.187 7.916 17.306 600 3HB ALA 77 HB1 ALA 77 7.230 7.652 18.704 601 H MET 78 HN MET 78 6.411 5.662 15.000 602 HA MET 78 HA MET 78 3.475 5.488 15.413 603 1HB MET 78 HB2 MET 78 5.124 5.780 12.885 604 2HB MET 78 HB1 MET 78 3.361 5.768 12.949 605 1HG MET 78 HG2 MET 78 4.183 7.657 14.877 606 2HG MET 78 HG1 MET 78 5.177 7.960 13.453 607 1HE MET 78 HE3 MET 78 4.541 9.062 11.471 608 2HE MET 78 HE2 MET 78 3.127 10.113 11.442 609 3HE MET 78 HE1 MET 78 4.271 10.224 12.776 610 H SER 79 HN SER 79 5.672 3.889 13.106 611 HA SER 79 HA SER 79 5.610 1.677 12.289 612 1HB SER 79 HB2 SER 79 4.899 0.518 14.891 613 2HB SER 79 HB1 SER 79 6.341 0.272 13.912 614 HG SER 79 HG SER 79 5.760 2.319 15.771 615 H ALA 80 HN ALA 80 2.972 3.256 12.839 616 HA ALA 80 HA ALA 80 1.106 0.931 12.891 617 1HB ALA 80 HB3 ALA 80 0.826 2.942 14.470 618 2HB ALA 80 HB2 ALA 80 0.336 3.845 13.037 619 3HB ALA 80 HB1 ALA 80 -0.598 2.441 13.557 620 H LEU 81 HN LEU 81 1.991 3.806 11.028 621 HA LEU 81 HA LEU 81 0.219 4.104 9.040 622 1HB LEU 81 HB2 LEU 81 2.909 4.644 9.282 623 2HB LEU 81 HB1 LEU 81 2.852 3.633 7.843 624 HG LEU 81 HG LEU 81 2.587 5.946 7.169 625 1HD1 LEU 81 HD11 LEU 81 0.955 3.939 6.387 626 2HD1 LEU 81 HD13 LEU 81 -0.248 5.080 6.987 627 3HD1 LEU 81 HD12 LEU 81 0.868 5.564 5.712 628 1HD2 LEU 81 HD21 LEU 81 1.214 6.200 9.618 629 2HD2 LEU 81 HD23 LEU 81 1.484 7.465 8.421 630 3HD2 LEU 81 HD22 LEU 81 0.006 6.504 8.372 631 HA PRO 82 HA PRO 82 -0.125 -0.325 7.889 632 1HB PRO 82 HB2 PRO 82 -2.580 0.274 6.528 633 2HB PRO 82 HB1 PRO 82 -2.360 -0.618 8.036 634 1HG PRO 82 HG2 PRO 82 -3.481 1.990 7.730 635 2HG PRO 82 HG1 PRO 82 -3.133 1.147 9.245 636 1HD PRO 82 HD2 PRO 82 -1.704 3.379 8.040 637 2HD PRO 82 HD1 PRO 82 -1.491 2.666 9.649 638 H VAL 83 HN VAL 83 1.425 -0.486 6.280 639 HA VAL 83 HA VAL 83 0.765 0.623 3.570 640 HB VAL 83 HB VAL 83 3.348 -0.128 4.929 641 1HG1 VAL 83 HG13 VAL 83 2.717 -0.341 1.976 642 2HG1 VAL 83 HG12 VAL 83 4.340 0.090 2.508 643 3HG1 VAL 83 HG11 VAL 83 3.643 -1.452 2.992 644 1HG2 VAL 83 HG22 VAL 83 2.145 2.287 4.112 645 2HG2 VAL 83 HG21 VAL 83 3.757 2.048 4.762 646 3HG2 VAL 83 HG23 VAL 83 3.509 2.003 3.022 647 H LEU 84 HN LEU 84 -0.194 -0.930 2.309 648 HA LEU 84 HA LEU 84 0.667 -3.713 2.844 649 1HB LEU 84 HB2 LEU 84 -1.812 -3.242 2.945 650 2HB LEU 84 HB1 LEU 84 -1.742 -2.793 1.255 651 HG LEU 84 HG LEU 84 -1.695 -4.956 0.538 652 1HD1 LEU 84 HD12 LEU 84 -0.140 -5.788 3.020 653 2HD1 LEU 84 HD11 LEU 84 -0.583 -6.849 1.692 654 3HD1 LEU 84 HD13 LEU 84 0.545 -5.531 1.412 655 1HD2 LEU 84 HD22 LEU 84 -3.581 -4.788 2.178 656 2HD2 LEU 84 HD21 LEU 84 -2.988 -6.435 1.955 657 3HD2 LEU 84 HD23 LEU 84 -2.532 -5.521 3.391 658 H MET 85 HN MET 85 2.384 -4.146 1.621 659 HA MET 85 HA MET 85 2.892 -2.749 -0.832 660 1HB MET 85 HB2 MET 85 4.712 -3.764 0.482 661 2HB MET 85 HB1 MET 85 4.037 -5.370 0.209 662 1HG MET 85 HG2 MET 85 4.604 -5.364 -2.067 663 2HG MET 85 HG1 MET 85 4.723 -3.605 -2.131 664 1HE MET 85 HE1 MET 85 6.838 -2.766 -2.741 665 2HE MET 85 HE3 MET 85 6.622 -2.197 -1.079 666 3HE MET 85 HE2 MET 85 8.198 -2.771 -1.621 667 H VAL 86 HN VAL 86 2.933 -3.852 -3.017 668 HA VAL 86 HA VAL 86 0.968 -6.093 -3.229 669 HB VAL 86 HB VAL 86 0.933 -3.635 -4.993 670 1HG1 VAL 86 HG13 VAL 86 -0.842 -6.060 -4.681 671 2HG1 VAL 86 HG12 VAL 86 -1.394 -4.588 -5.474 672 3HG1 VAL 86 HG11 VAL 86 -0.030 -5.486 -6.136 673 1HG2 VAL 86 HG22 VAL 86 -0.444 -4.265 -2.412 674 2HG2 VAL 86 HG21 VAL 86 0.155 -2.722 -3.011 675 3HG2 VAL 86 HG23 VAL 86 -1.345 -3.395 -3.651 676 H THR 87 HN THR 87 1.350 -7.517 -4.946 677 HA THR 87 HA THR 87 3.440 -6.777 -6.918 678 HB THR 87 HB THR 87 4.729 -7.704 -5.037 679 HG1 THR 87 HG1 THR 87 4.742 -9.816 -6.826 680 1HG2 THR 87 HG23 THR 87 2.676 -9.156 -4.342 681 2HG2 THR 87 HG22 THR 87 3.342 -10.337 -5.470 682 3HG2 THR 87 HG21 THR 87 4.296 -9.802 -4.087 683 H ALA 88 HN ALA 88 3.580 -8.325 -8.699 684 HA ALA 88 HA ALA 88 0.978 -9.676 -9.155 685 1HB ALA 88 HB1 ALA 88 3.114 -8.536 -10.862 686 2HB ALA 88 HB3 ALA 88 2.386 -10.022 -11.471 687 3HB ALA 88 HB2 ALA 88 1.375 -8.614 -11.142 688 H GLU 89 HN GLU 89 4.154 -10.646 -10.418 689 HA GLU 89 HA GLU 89 3.587 -13.439 -9.762 690 1HB GLU 89 HB2 GLU 89 5.787 -13.886 -10.768 691 2HB GLU 89 HB1 GLU 89 4.854 -12.809 -11.808 692 1HG GLU 89 HG2 GLU 89 6.173 -11.071 -10.080 693 2HG GLU 89 HG1 GLU 89 7.377 -12.314 -10.423 694 H ALA 90 HN ALA 90 3.351 -12.705 -7.394 695 HA ALA 90 HA ALA 90 5.316 -11.790 -5.708 696 1HB ALA 90 HB3 ALA 90 2.979 -13.462 -5.419 697 2HB ALA 90 HB2 ALA 90 4.254 -14.014 -4.335 698 3HB ALA 90 HB1 ALA 90 3.695 -12.346 -4.263 699 H LYS 91 HN LYS 91 7.359 -12.358 -5.300 700 HA LYS 91 HA LYS 91 8.284 -15.095 -6.030 701 1HB LYS 91 HB2 LYS 91 9.485 -12.406 -6.014 702 2HB LYS 91 HB1 LYS 91 10.527 -13.651 -5.326 703 1HG LYS 91 HG2 LYS 91 10.207 -15.030 -7.358 704 2HG LYS 91 HG1 LYS 91 9.197 -13.758 -8.049 705 1HD LYS 91 HD2 LYS 91 11.425 -12.339 -7.329 706 2HD LYS 91 HD1 LYS 91 12.134 -13.891 -7.776 707 1HE LYS 91 HE2 LYS 91 10.817 -13.787 -9.922 708 2HE LYS 91 HE1 LYS 91 10.339 -12.146 -9.484 709 1HZ LYS 91 HZ3 LYS 91 12.894 -11.856 -9.173 710 2HZ LYS 91 HZ2 LYS 91 12.981 -13.178 -10.236 711 3HZ LYS 91 HZ1 LYS 91 12.204 -11.747 -10.718 712 H LYS 92 HN LYS 92 8.209 -16.477 -4.306 713 HA LYS 92 HA LYS 92 7.831 -15.919 -1.629 714 1HB LYS 92 HB2 LYS 92 9.735 -18.081 -2.557 715 2HB LYS 92 HB1 LYS 92 8.714 -18.089 -1.119 716 1HG LYS 92 HG2 LYS 92 6.708 -17.951 -2.657 717 2HG LYS 92 HG1 LYS 92 7.813 -18.219 -4.006 718 1HD LYS 92 HD2 LYS 92 8.614 -20.278 -2.592 719 2HD LYS 92 HD1 LYS 92 7.057 -20.095 -1.783 720 1HE LYS 92 HE2 LYS 92 7.637 -20.815 -4.634 721 2HE LYS 92 HE1 LYS 92 6.471 -21.526 -3.518 722 1HZ LYS 92 HZ3 LYS 92 5.649 -18.951 -3.737 723 2HZ LYS 92 HZ2 LYS 92 6.165 -19.312 -5.315 724 3HZ LYS 92 HZ1 LYS 92 4.980 -20.271 -4.565 725 H GLU 93 HN GLU 93 10.792 -15.471 -3.432 726 HA GLU 93 HA GLU 93 12.454 -15.214 -1.077 727 1HB GLU 93 HB2 GLU 93 13.146 -14.173 -3.817 728 2HB GLU 93 HB1 GLU 93 14.236 -14.766 -2.564 729 1HG GLU 93 HG2 GLU 93 12.853 -16.999 -2.850 730 2HG GLU 93 HG1 GLU 93 12.480 -16.317 -4.434 731 H ASN 94 HN ASN 94 10.816 -12.982 -3.296 732 HA ASN 94 HA ASN 94 11.906 -10.659 -1.850 733 1HB ASN 94 HB2 ASN 94 10.125 -10.990 -4.265 734 2HB ASN 94 HB1 ASN 94 10.425 -9.419 -3.531 735 1HD2 ASN 94 HD22 ASN 94 13.818 -9.246 -4.633 736 2HD2 ASN 94 HD21 ASN 94 12.700 -8.630 -3.513 737 H ILE 95 HN ILE 95 9.239 -12.734 -1.524 738 HA ILE 95 HA ILE 95 7.312 -10.751 -0.625 739 HB ILE 95 HB ILE 95 7.458 -13.713 -0.790 740 1HG1 ILE 95 HG12 ILE 95 5.046 -13.369 -1.420 741 2HG1 ILE 95 HG11 ILE 95 5.270 -11.641 -1.171 742 1HG2 ILE 95 HG23 ILE 95 5.863 -12.312 1.371 743 2HG2 ILE 95 HG22 ILE 95 5.444 -13.908 0.755 744 3HG2 ILE 95 HG21 ILE 95 6.991 -13.658 1.559 745 1HD1 ILE 95 HD11 ILE 95 7.360 -12.117 -2.811 746 2HD1 ILE 95 HD13 ILE 95 6.281 -13.398 -3.346 747 3HD1 ILE 95 HD12 ILE 95 5.761 -11.716 -3.413 748 H ILE 96 HN ILE 96 9.923 -12.542 0.818 749 HA ILE 96 HA ILE 96 9.078 -11.853 3.555 750 HB ILE 96 HB ILE 96 11.591 -13.183 2.489 751 1HG1 ILE 96 HG12 ILE 96 9.591 -14.594 4.186 752 2HG1 ILE 96 HG11 ILE 96 9.110 -14.244 2.524 753 1HG2 ILE 96 HG23 ILE 96 10.650 -12.497 5.269 754 2HG2 ILE 96 HG22 ILE 96 11.716 -13.874 4.994 755 3HG2 ILE 96 HG21 ILE 96 12.242 -12.250 4.551 756 1HD1 ILE 96 HD11 ILE 96 11.661 -15.668 3.342 757 2HD1 ILE 96 HD13 ILE 96 10.217 -16.453 2.700 758 3HD1 ILE 96 HD12 ILE 96 11.143 -15.345 1.687 759 H ALA 97 HN ALA 97 10.670 -10.331 1.013 760 HA ALA 97 HA ALA 97 12.642 -8.857 2.548 761 1HB ALA 97 HB1 ALA 97 11.549 -8.734 -0.226 762 2HB ALA 97 HB3 ALA 97 12.391 -7.317 0.402 763 3HB ALA 97 HB2 ALA 97 13.221 -8.869 0.313 764 H ALA 98 HN ALA 98 9.481 -7.947 1.125 765 HA ALA 98 HA ALA 98 9.413 -5.368 2.406 766 1HB ALA 98 HB2 ALA 98 7.766 -6.698 0.600 767 2HB ALA 98 HB1 ALA 98 6.783 -6.608 2.061 768 3HB ALA 98 HB3 ALA 98 7.425 -5.133 1.340 769 H ALA 99 HN ALA 99 7.959 -8.513 3.232 770 HA ALA 99 HA ALA 99 6.835 -7.625 5.681 771 1HB ALA 99 HB1 ALA 99 6.276 -9.786 4.501 772 2HB ALA 99 HB3 ALA 99 7.827 -10.424 5.046 773 3HB ALA 99 HB2 ALA 99 6.594 -9.979 6.226 774 H GLN 100 HN GLN 100 10.082 -8.745 4.772 775 HA GLN 100 HA GLN 100 11.088 -9.154 7.427 776 1HB GLN 100 HB2 GLN 100 12.635 -9.831 5.792 777 2HB GLN 100 HB1 GLN 100 12.369 -8.394 4.808 778 1HG GLN 100 HG2 GLN 100 13.714 -7.047 6.158 779 2HG GLN 100 HG1 GLN 100 13.542 -8.106 7.557 780 1HE2 GLN 100 HE22 GLN 100 15.822 -10.563 5.839 781 2HE2 GLN 100 HE21 GLN 100 14.189 -10.610 6.296 782 H ALA 101 HN ALA 101 10.419 -6.383 5.432 783 HA ALA 101 HA ALA 101 11.527 -4.443 7.346 784 1HB ALA 101 HB3 ALA 101 10.353 -4.389 4.655 785 2HB ALA 101 HB2 ALA 101 9.683 -3.125 5.688 786 3HB ALA 101 HB1 ALA 101 11.423 -3.214 5.420 787 H GLY 102 HN GLY 102 8.751 -6.266 6.653 788 1HA GLY 102 HA2 GLY 102 6.797 -6.698 7.792 789 2HA GLY 102 HA1 GLY 102 7.569 -5.954 9.173 790 H ALA 103 HN ALA 103 5.767 -5.092 6.168 791 HA ALA 103 HA ALA 103 5.047 -2.518 7.477 792 1HB ALA 103 HB2 ALA 103 4.283 -3.845 4.871 793 2HB ALA 103 HB1 ALA 103 3.730 -2.257 5.371 794 3HB ALA 103 HB3 ALA 103 5.408 -2.540 5.082 795 H SER 104 HN SER 104 2.646 -3.574 5.565 796 HA SER 104 HA SER 104 0.863 -4.303 7.839 797 1HB SER 104 HB2 SER 104 -0.039 -4.048 4.981 798 2HB SER 104 HB1 SER 104 -0.980 -3.853 6.451 799 HG SER 104 HG SER 104 1.208 -2.178 5.829 800 H GLY 105 HN GLY 105 1.809 -5.368 4.653 801 1HA GLY 105 HA2 GLY 105 2.335 -8.055 5.150 802 2HA GLY 105 HA1 GLY 105 0.618 -7.984 4.800 803 OH TYR 106 OH TYR 106 1.854 -13.704 -2.759 804 H TYR 106 HN TYR 106 1.297 -9.299 2.882 805 HA TYR 106 HA TYR 106 2.018 -7.486 0.622 806 1HB TYR 106 HB2 TYR 106 3.875 -8.676 0.152 807 2HB TYR 106 HB1 TYR 106 3.585 -9.695 1.559 808 HD1 TYR 106 HD2 TYR 106 2.436 -9.250 -2.014 809 HD2 TYR 106 HD1 TYR 106 3.097 -11.966 1.254 810 HE1 TYR 106 HE2 TYR 106 1.871 -11.166 -3.470 811 HE2 TYR 106 HE1 TYR 106 2.537 -13.872 -0.215 812 HH TYR 106 HH TYR 106 1.145 -13.429 -3.344 813 H VAL 107 HN VAL 107 0.382 -7.497 -0.800 814 HA VAL 107 HA VAL 107 -1.384 -9.913 -0.927 815 HB VAL 107 HB VAL 107 -2.437 -7.741 -0.158 816 1HG1 VAL 107 HG11 VAL 107 -0.931 -6.492 -1.923 817 2HG1 VAL 107 HG13 VAL 107 -2.267 -6.846 -3.017 818 3HG1 VAL 107 HG12 VAL 107 -2.547 -5.888 -1.566 819 1HG2 VAL 107 HG23 VAL 107 -3.327 -9.157 -2.680 820 2HG2 VAL 107 HG22 VAL 107 -3.947 -9.342 -1.041 821 3HG2 VAL 107 HG21 VAL 107 -4.297 -7.876 -1.955 822 H VAL 108 HN VAL 108 -1.203 -11.041 -2.803 823 HA VAL 108 HA VAL 108 0.447 -10.118 -4.958 824 HB VAL 108 HB VAL 108 -0.029 -12.534 -4.520 825 1HG1 VAL 108 HG12 VAL 108 -2.591 -11.821 -4.166 826 2HG1 VAL 108 HG11 VAL 108 -2.681 -12.291 -5.863 827 3HG1 VAL 108 HG13 VAL 108 -2.136 -13.454 -4.654 828 1HG2 VAL 108 HG21 VAL 108 0.442 -11.410 -6.897 829 2HG2 VAL 108 HG23 VAL 108 0.112 -13.136 -6.750 830 3HG2 VAL 108 HG22 VAL 108 -1.173 -12.031 -7.238 831 H LYS 109 HN LYS 109 -0.846 -10.235 -7.330 832 HA LYS 109 HA LYS 109 -3.420 -8.829 -7.139 833 1HB LYS 109 HB2 LYS 109 -2.675 -6.728 -7.507 834 2HB LYS 109 HB1 LYS 109 -1.055 -7.332 -7.186 835 1HG LYS 109 HG2 LYS 109 -0.806 -7.868 -9.615 836 2HG LYS 109 HG1 LYS 109 -2.397 -7.154 -9.908 837 1HD LYS 109 HD2 LYS 109 -1.521 -5.092 -9.935 838 2HD LYS 109 HD1 LYS 109 -0.782 -5.339 -8.352 839 1HE LYS 109 HE2 LYS 109 1.152 -6.406 -9.362 840 2HE LYS 109 HE1 LYS 109 0.397 -6.349 -10.955 841 1HZ LYS 109 HZ3 LYS 109 0.805 -3.879 -9.402 842 2HZ LYS 109 HZ2 LYS 109 2.075 -4.536 -10.321 843 3HZ LYS 109 HZ1 LYS 109 0.627 -4.068 -11.077 844 HA PRO 110 HA PRO 110 -4.456 -7.448 -8.828 845 1HB PRO 110 HB2 PRO 110 -6.719 -8.419 -10.293 846 2HB PRO 110 HB1 PRO 110 -5.694 -7.034 -10.693 847 1HG PRO 110 HG2 PRO 110 -5.845 -9.496 -12.115 848 2HG PRO 110 HG1 PRO 110 -4.683 -8.189 -12.381 849 1HD PRO 110 HD2 PRO 110 -4.269 -10.790 -11.069 850 2HD PRO 110 HD1 PRO 110 -3.062 -9.633 -11.668 851 H PHE 111 HN PHE 111 -5.779 -7.531 -6.982 852 HA PHE 111 HA PHE 111 -6.810 -10.204 -6.167 853 1HB PHE 111 HB2 PHE 111 -7.371 -8.800 -4.012 854 2HB PHE 111 HB1 PHE 111 -5.706 -9.266 -4.323 855 HD1 PHE 111 HD2 PHE 111 -8.137 -6.489 -5.116 856 HD2 PHE 111 HD1 PHE 111 -4.088 -7.614 -4.269 857 HE1 PHE 111 HE2 PHE 111 -7.436 -4.131 -5.283 858 HE2 PHE 111 HE1 PHE 111 -3.388 -5.256 -4.418 859 HZ PHE 111 HZ PHE 111 -5.066 -3.502 -4.922 860 H THR 112 HN THR 112 -9.003 -10.269 -5.241 861 HA THR 112 HA THR 112 -10.865 -8.569 -6.809 862 HB THR 112 HB THR 112 -11.991 -10.570 -4.951 863 HG1 THR 112 HG1 THR 112 -9.877 -11.374 -5.916 864 1HG2 THR 112 HG21 THR 112 -13.111 -9.252 -6.863 865 2HG2 THR 112 HG23 THR 112 -12.295 -10.378 -7.945 866 3HG2 THR 112 HG22 THR 112 -13.458 -10.977 -6.763 867 H ALA 113 HN ALA 113 -12.325 -7.154 -5.704 868 HA ALA 113 HA ALA 113 -11.417 -5.845 -3.423 869 1HB ALA 113 HB1 ALA 113 -13.462 -5.326 -5.012 870 2HB ALA 113 HB3 ALA 113 -14.383 -6.185 -3.777 871 3HB ALA 113 HB2 ALA 113 -13.474 -4.735 -3.350 872 H ALA 114 HN ALA 114 -13.318 -8.809 -3.570 873 HA ALA 114 HA ALA 114 -13.815 -8.853 -0.710 874 1HB ALA 114 HB3 ALA 114 -14.349 -10.591 -3.006 875 2HB ALA 114 HB2 ALA 114 -13.858 -11.504 -1.579 876 3HB ALA 114 HB1 ALA 114 -15.252 -10.427 -1.499 877 H THR 115 HN THR 115 -11.277 -9.944 -2.869 878 HA THR 115 HA THR 115 -9.882 -11.515 -0.875 879 HB THR 115 HB THR 115 -9.035 -10.307 -3.502 880 HG1 THR 115 HG1 THR 115 -10.427 -12.336 -3.031 881 1HG2 THR 115 HG21 THR 115 -7.442 -11.835 -1.454 882 2HG2 THR 115 HG23 THR 115 -7.005 -11.857 -3.162 883 3HG2 THR 115 HG22 THR 115 -7.015 -10.333 -2.274 884 H LEU 116 HN LEU 116 -8.922 -8.321 -2.386 885 HA LEU 116 HA LEU 116 -6.991 -7.701 -0.466 886 1HB LEU 116 HB2 LEU 116 -8.299 -6.289 -2.510 887 2HB LEU 116 HB1 LEU 116 -8.638 -5.356 -1.057 888 HG LEU 116 HG LEU 116 -5.947 -6.021 -2.275 889 1HD1 LEU 116 HD13 LEU 116 -7.421 -3.927 -2.772 890 2HD1 LEU 116 HD12 LEU 116 -6.905 -3.388 -1.181 891 3HD1 LEU 116 HD11 LEU 116 -5.709 -3.692 -2.438 892 1HD2 LEU 116 HD22 LEU 116 -6.613 -5.561 0.574 893 2HD2 LEU 116 HD21 LEU 116 -5.181 -6.302 -0.140 894 3HD2 LEU 116 HD23 LEU 116 -5.325 -4.549 -0.066 895 H GLU 117 HN GLU 117 -10.543 -7.286 -0.234 896 HA GLU 117 HA GLU 117 -10.578 -5.918 2.238 897 1HB GLU 117 HB2 GLU 117 -12.493 -7.756 0.847 898 2HB GLU 117 HB1 GLU 117 -12.860 -7.127 2.448 899 1HG GLU 117 HG2 GLU 117 -12.925 -4.900 1.705 900 2HG GLU 117 HG1 GLU 117 -12.004 -5.265 0.246 901 H GLU 118 HN GLU 118 -11.036 -9.410 1.658 902 HA GLU 118 HA GLU 118 -11.139 -10.348 4.260 903 1HB GLU 118 HB2 GLU 118 -11.142 -11.678 2.038 904 2HB GLU 118 HB1 GLU 118 -9.388 -11.717 2.211 905 1HG GLU 118 HG2 GLU 118 -10.222 -12.447 4.729 906 2HG GLU 118 HG1 GLU 118 -11.449 -13.192 3.704 907 H LYS 119 HN LYS 119 -8.359 -9.044 2.578 908 HA LYS 119 HA LYS 119 -6.523 -9.847 4.759 909 1HB LYS 119 HB2 LYS 119 -6.183 -8.436 2.110 910 2HB LYS 119 HB1 LYS 119 -4.905 -8.399 3.323 911 1HG LYS 119 HG2 LYS 119 -6.012 -11.087 2.873 912 2HG LYS 119 HG1 LYS 119 -5.243 -10.394 1.447 913 1HD LYS 119 HD2 LYS 119 -3.934 -10.425 4.177 914 2HD LYS 119 HD1 LYS 119 -3.688 -11.694 2.977 915 1HE LYS 119 HE2 LYS 119 -3.335 -9.095 1.752 916 2HE LYS 119 HE1 LYS 119 -2.299 -9.244 3.171 917 1HZ LYS 119 HZ1 LYS 119 -2.093 -11.662 1.929 918 2HZ LYS 119 HZ3 LYS 119 -2.116 -10.560 0.641 919 3HZ LYS 119 HZ2 LYS 119 -0.950 -10.405 1.867 920 H LEU 120 HN LEU 120 -8.088 -6.981 3.435 921 HA LEU 120 HA LEU 120 -6.775 -5.062 5.108 922 1HB LEU 120 HB2 LEU 120 -8.217 -4.713 2.964 923 2HB LEU 120 HB1 LEU 120 -9.587 -4.740 4.075 924 HG LEU 120 HG LEU 120 -7.892 -3.045 5.375 925 1HD1 LEU 120 HD12 LEU 120 -6.316 -3.133 3.436 926 2HD1 LEU 120 HD11 LEU 120 -7.582 -2.425 2.431 927 3HD1 LEU 120 HD13 LEU 120 -6.913 -1.509 3.781 928 1HD2 LEU 120 HD23 LEU 120 -10.147 -2.620 3.441 929 2HD2 LEU 120 HD22 LEU 120 -10.080 -2.285 5.171 930 3HD2 LEU 120 HD21 LEU 120 -9.269 -1.213 4.030 931 H ASN 121 HN ASN 121 -10.060 -6.484 5.360 932 HA ASN 121 HA ASN 121 -10.844 -5.357 7.774 933 1HB ASN 121 HB2 ASN 121 -12.431 -7.076 7.931 934 2HB ASN 121 HB1 ASN 121 -12.090 -7.019 6.212 935 1HD2 ASN 121 HD22 ASN 121 -10.255 -10.133 6.285 936 2HD2 ASN 121 HD21 ASN 121 -10.260 -8.618 5.519 937 H LYS 122 HN LYS 122 -9.114 -8.444 7.425 938 HA LYS 122 HA LYS 122 -8.736 -9.023 10.144 939 1HB LYS 122 HB2 LYS 122 -7.511 -9.826 7.621 940 2HB LYS 122 HB1 LYS 122 -6.352 -9.823 8.951 941 1HG LYS 122 HG2 LYS 122 -7.835 -11.239 10.287 942 2HG LYS 122 HG1 LYS 122 -9.054 -11.199 9.011 943 1HD LYS 122 HD2 LYS 122 -7.429 -12.256 7.457 944 2HD LYS 122 HD1 LYS 122 -6.260 -12.355 8.774 945 1HE LYS 122 HE2 LYS 122 -7.575 -13.913 9.977 946 2HE LYS 122 HE1 LYS 122 -9.019 -13.551 9.030 947 1HZ LYS 122 HZ3 LYS 122 -7.411 -14.341 7.099 948 2HZ LYS 122 HZ2 LYS 122 -6.737 -15.241 8.373 949 3HZ LYS 122 HZ1 LYS 122 -8.378 -15.427 7.974 950 H ILE 123 HN ILE 123 -6.835 -6.885 8.052 951 HA ILE 123 HA ILE 123 -4.767 -6.402 10.002 952 HB ILE 123 HB ILE 123 -5.663 -4.982 7.503 953 1HG1 ILE 123 HG12 ILE 123 -2.939 -6.087 8.185 954 2HG1 ILE 123 HG11 ILE 123 -4.230 -7.157 7.635 955 1HG2 ILE 123 HG21 ILE 123 -3.765 -4.048 9.642 956 2HG2 ILE 123 HG23 ILE 123 -3.454 -3.639 7.956 957 3HG2 ILE 123 HG22 ILE 123 -4.950 -3.116 8.729 958 1HD1 ILE 123 HD12 ILE 123 -3.319 -4.685 6.134 959 2HD1 ILE 123 HD11 ILE 123 -2.768 -6.321 5.773 960 3HD1 ILE 123 HD13 ILE 123 -4.468 -5.899 5.572 961 H PHE 124 HN PHE 124 -7.775 -4.650 9.188 962 HA PHE 124 HA PHE 124 -7.217 -2.524 11.063 963 1HB PHE 124 HB2 PHE 124 -9.601 -3.357 9.450 964 2HB PHE 124 HB1 PHE 124 -9.800 -2.173 10.741 965 HD1 PHE 124 HD1 PHE 124 -7.901 -0.293 10.808 966 HD2 PHE 124 HD2 PHE 124 -9.001 -2.563 7.338 967 HE1 PHE 124 HE1 PHE 124 -6.880 1.440 9.355 968 HE2 PHE 124 HE2 PHE 124 -7.981 -0.820 5.893 969 HZ PHE 124 HZ PHE 124 -6.932 1.154 6.890 970 H GLU 125 HN GLU 125 -8.088 -5.729 11.586 971 HA GLU 125 HA GLU 125 -9.849 -5.287 13.861 972 1HB GLU 125 HB2 GLU 125 -8.350 -7.644 12.739 973 2HB GLU 125 HB1 GLU 125 -9.017 -7.737 14.366 974 1HG GLU 125 HG2 GLU 125 -10.788 -6.719 12.184 975 2HG GLU 125 HG1 GLU 125 -10.464 -8.452 12.249 976 H LYS 126 HN LYS 126 -6.488 -5.133 13.243 977 HA LYS 126 HA LYS 126 -5.797 -5.286 16.131 978 1HB LYS 126 HB2 LYS 126 -4.393 -5.781 13.630 979 2HB LYS 126 HB1 LYS 126 -3.500 -4.646 14.644 980 1HG LYS 126 HG2 LYS 126 -3.655 -6.214 16.544 981 2HG LYS 126 HG1 LYS 126 -4.543 -7.352 15.531 982 1HD LYS 126 HD2 LYS 126 -2.412 -8.193 15.249 983 2HD LYS 126 HD1 LYS 126 -2.426 -7.014 13.937 984 1HE LYS 126 HE2 LYS 126 -0.389 -6.643 15.136 985 2HE LYS 126 HE1 LYS 126 -1.477 -5.336 15.606 986 1HZ LYS 126 HZ1 LYS 126 -1.068 -7.846 17.138 987 2HZ LYS 126 HZ3 LYS 126 -0.359 -6.352 17.514 988 3HZ LYS 126 HZ2 LYS 126 -2.046 -6.535 17.599 989 H LEU 127 HN LEU 127 -6.177 -3.074 13.455 990 HA LEU 127 HA LEU 127 -4.936 -0.837 14.917 991 1HB LEU 127 HB2 LEU 127 -5.502 -1.402 12.186 992 2HB LEU 127 HB1 LEU 127 -6.487 -0.008 12.623 993 HG LEU 127 HG LEU 127 -4.301 0.731 11.805 994 1HD1 LEU 127 HD11 LEU 127 -5.533 1.567 14.112 995 2HD1 LEU 127 HD13 LEU 127 -3.892 1.251 14.675 996 3HD1 LEU 127 HD12 LEU 127 -4.167 2.385 13.353 997 1HD2 LEU 127 HD21 LEU 127 -3.389 -1.536 13.245 998 2HD2 LEU 127 HD23 LEU 127 -2.423 -0.413 12.288 999 3HD2 LEU 127 HD22 LEU 127 -2.658 -0.127 14.012 1000 H GLY 128 HN GLY 128 -8.098 -2.207 14.347 1001 1HA GLY 128 HA2 GLY 128 -10.246 -1.470 14.982 1002 2HA GLY 128 HA1 GLY 128 -9.413 -0.993 16.463 1003 H MET 129 HN MET 129 -10.451 0.148 13.279 1004 HA MET 129 HA MET 129 -9.730 2.928 14.003 1005 1HB MET 129 HB2 MET 129 -10.000 1.494 11.560 1006 2HB MET 129 HB1 MET 129 -11.230 2.759 11.560 1007 1HG MET 129 HG2 MET 129 -8.280 3.184 12.124 1008 2HG MET 129 HG1 MET 129 -9.102 3.589 10.617 1009 1HE MET 129 HE2 MET 129 -9.693 5.821 10.107 1010 2HE MET 129 HE1 MET 129 -9.410 7.155 11.222 1011 3HE MET 129 HE3 MET 129 -8.113 6.005 10.865 Start of MODEL 46 Raw file had 1011 H/Q atoms Start of MODEL 46 1 H ALA 2 HN ALA 2 -14.740 1.216 7.656 2 HA ALA 2 HA ALA 2 -13.436 1.422 10.102 3 1HB ALA 2 HB1 ALA 2 -11.840 -0.050 8.065 4 2HB ALA 2 HB3 ALA 2 -10.985 1.179 8.997 5 3HB ALA 2 HB2 ALA 2 -11.788 -0.155 9.824 6 H ASP 3 HN ASP 3 -13.953 3.617 9.919 7 HA ASP 3 HA ASP 3 -13.846 5.826 9.103 8 1HB ASP 3 HB2 ASP 3 -11.074 4.902 8.274 9 2HB ASP 3 HB1 ASP 3 -11.589 6.573 8.513 10 H LYS 4 HN LYS 4 -15.363 5.681 7.400 11 HA LYS 4 HA LYS 4 -14.853 4.477 4.879 12 1HB LYS 4 HB2 LYS 4 -16.714 6.797 5.409 13 2HB LYS 4 HB1 LYS 4 -16.814 5.647 4.081 14 1HG LYS 4 HG2 LYS 4 -16.722 4.200 6.569 15 2HG LYS 4 HG1 LYS 4 -17.990 5.417 6.663 16 1HD LYS 4 HD2 LYS 4 -17.707 3.542 4.300 17 2HD LYS 4 HD1 LYS 4 -18.676 3.147 5.714 18 1HE LYS 4 HE2 LYS 4 -19.667 4.450 3.551 19 2HE LYS 4 HE1 LYS 4 -20.322 4.630 5.176 20 1HZ LYS 4 HZ2 LYS 4 -18.677 6.499 5.445 21 2HZ LYS 4 HZ1 LYS 4 -18.418 6.409 3.770 22 3HZ LYS 4 HZ3 LYS 4 -19.957 6.790 4.369 23 H GLU 5 HN GLU 5 -13.013 6.799 6.061 24 HA GLU 5 HA GLU 5 -12.535 7.997 3.380 25 1HB GLU 5 HB2 GLU 5 -13.038 9.441 5.976 26 2HB GLU 5 HB1 GLU 5 -12.005 10.170 4.746 27 1HG GLU 5 HG2 GLU 5 -14.649 9.077 3.883 28 2HG GLU 5 HG1 GLU 5 -14.628 10.604 4.763 29 H LEU 6 HN LEU 6 -11.071 5.848 4.646 30 HA LEU 6 HA LEU 6 -8.779 7.023 5.950 31 1HB LEU 6 HB2 LEU 6 -9.557 4.675 6.349 32 2HB LEU 6 HB1 LEU 6 -9.040 4.267 4.724 33 HG LEU 6 HG LEU 6 -6.720 4.939 5.301 34 1HD1 LEU 6 HD13 LEU 6 -8.088 5.670 7.863 35 2HD1 LEU 6 HD12 LEU 6 -6.440 5.045 7.943 36 3HD1 LEU 6 HD11 LEU 6 -6.787 6.502 7.014 37 1HD2 LEU 6 HD23 LEU 6 -8.239 2.767 6.589 38 2HD2 LEU 6 HD22 LEU 6 -6.753 2.699 5.647 39 3HD2 LEU 6 HD21 LEU 6 -6.695 3.134 7.356 40 H LYS 7 HN LYS 7 -6.999 7.883 4.958 41 HA LYS 7 HA LYS 7 -7.053 8.182 2.065 42 1HB LYS 7 HB2 LYS 7 -5.378 9.223 4.309 43 2HB LYS 7 HB1 LYS 7 -4.757 9.338 2.668 44 1HG LYS 7 HG2 LYS 7 -6.683 10.587 1.933 45 2HG LYS 7 HG1 LYS 7 -7.511 10.310 3.463 46 1HD LYS 7 HD2 LYS 7 -6.691 12.469 3.774 47 2HD LYS 7 HD1 LYS 7 -5.393 11.515 4.486 48 1HE LYS 7 HE2 LYS 7 -4.133 12.841 3.082 49 2HE LYS 7 HE1 LYS 7 -4.511 11.538 1.957 50 1HZ LYS 7 HZ1 LYS 7 -6.662 13.244 1.852 51 2HZ LYS 7 HZ3 LYS 7 -5.305 14.262 1.876 52 3HZ LYS 7 HZ2 LYS 7 -5.446 13.064 0.679 53 H PHE 8 HN PHE 8 -6.091 6.890 0.602 54 HA PHE 8 HA PHE 8 -3.865 5.118 1.485 55 1HB PHE 8 HB2 PHE 8 -5.775 4.786 -0.850 56 2HB PHE 8 HB1 PHE 8 -4.490 3.682 -0.415 57 HD1 PHE 8 HD2 PHE 8 -7.592 5.252 0.926 58 HD2 PHE 8 HD1 PHE 8 -4.879 1.941 1.108 59 HE1 PHE 8 HE2 PHE 8 -9.115 4.083 2.481 60 HE2 PHE 8 HE1 PHE 8 -6.400 0.769 2.692 61 HZ PHE 8 HZ PHE 8 -8.527 1.848 3.371 62 H LEU 9 HN LEU 9 -1.986 5.125 0.234 63 HA LEU 9 HA LEU 9 -1.891 7.184 -1.941 64 1HB LEU 9 HB2 LEU 9 -0.398 7.811 -0.145 65 2HB LEU 9 HB1 LEU 9 0.279 6.185 -0.076 66 HG LEU 9 HG LEU 9 1.295 6.429 -2.260 67 1HD1 LEU 9 HD13 LEU 9 -0.385 8.923 -2.366 68 2HD1 LEU 9 HD12 LEU 9 1.061 8.773 -3.361 69 3HD1 LEU 9 HD11 LEU 9 -0.264 7.625 -3.553 70 1HD2 LEU 9 HD22 LEU 9 1.697 8.729 -0.359 71 2HD2 LEU 9 HD21 LEU 9 2.752 7.351 -0.682 72 3HD2 LEU 9 HD23 LEU 9 2.602 8.645 -1.868 73 H VAL 10 HN VAL 10 -2.045 6.110 -3.875 74 HA VAL 10 HA VAL 10 -0.905 3.379 -4.077 75 HB VAL 10 HB VAL 10 -2.074 4.584 -6.498 76 1HG1 VAL 10 HG11 VAL 10 -1.531 2.123 -5.955 77 2HG1 VAL 10 HG13 VAL 10 -2.969 2.158 -4.935 78 3HG1 VAL 10 HG12 VAL 10 -3.108 2.456 -6.667 79 1HG2 VAL 10 HG23 VAL 10 -3.669 4.311 -3.934 80 2HG2 VAL 10 HG22 VAL 10 -3.475 5.753 -4.924 81 3HG2 VAL 10 HG21 VAL 10 -4.409 4.391 -5.533 82 H VAL 11 HN VAL 11 1.285 3.427 -4.428 83 HA VAL 11 HA VAL 11 2.428 5.541 -6.096 84 HB VAL 11 HB VAL 11 3.875 3.229 -4.788 85 1HG1 VAL 11 HG13 VAL 11 4.702 5.359 -6.508 86 2HG1 VAL 11 HG12 VAL 11 5.346 5.685 -4.899 87 3HG1 VAL 11 HG11 VAL 11 5.711 4.159 -5.702 88 1HG2 VAL 11 HG22 VAL 11 3.242 5.991 -3.700 89 2HG2 VAL 11 HG21 VAL 11 2.605 4.466 -3.091 90 3HG2 VAL 11 HG23 VAL 11 4.323 4.827 -2.936 91 H ASP 12 HN ASP 12 0.743 3.086 -7.032 92 HA ASP 12 HA ASP 12 2.297 1.310 -8.543 93 1HB ASP 12 HB2 ASP 12 0.310 1.311 -10.153 94 2HB ASP 12 HB1 ASP 12 -0.065 0.955 -8.466 95 H ASP 13 HN ASP 13 2.716 1.357 -10.927 96 HA ASP 13 HA ASP 13 2.989 4.075 -12.085 97 1HB ASP 13 HB2 ASP 13 5.344 3.709 -12.657 98 2HB ASP 13 HB1 ASP 13 5.133 3.589 -10.910 99 H PHE 14 HN PHE 14 1.290 1.764 -12.665 100 HA PHE 14 HA PHE 14 2.397 0.520 -15.081 101 1HB PHE 14 HB2 PHE 14 0.808 -0.649 -13.500 102 2HB PHE 14 HB1 PHE 14 -0.457 0.447 -14.056 103 HD1 PHE 14 HD2 PHE 14 -1.327 0.323 -16.342 104 HD2 PHE 14 HD1 PHE 14 1.732 -2.363 -14.973 105 HE1 PHE 14 HE2 PHE 14 -1.718 -1.127 -18.315 106 HE2 PHE 14 HE1 PHE 14 1.341 -3.814 -16.947 107 HZ PHE 14 HZ PHE 14 -0.384 -3.195 -18.618 108 H SER 15 HN SER 15 -0.764 2.110 -14.713 109 HA SER 15 HA SER 15 -0.464 4.365 -16.301 110 1HB SER 15 HB2 SER 15 -0.450 1.857 -17.893 111 2HB SER 15 HB1 SER 15 -1.507 3.136 -18.485 112 HG SER 15 HG SER 15 0.214 4.460 -18.711 113 H THR 16 HN THR 16 -2.363 1.563 -15.489 114 HA THR 16 HA THR 16 -4.767 3.298 -15.262 115 HB THR 16 HB THR 16 -5.396 2.277 -17.257 116 HG1 THR 16 HG1 THR 16 -6.020 0.285 -15.338 117 1HG2 THR 16 HG21 THR 16 -3.655 0.012 -16.309 118 2HG2 THR 16 HG23 THR 16 -4.811 -0.231 -17.618 119 3HG2 THR 16 HG22 THR 16 -3.524 0.961 -17.789 120 H MET 17 HN MET 17 -2.640 1.084 -13.972 121 HA MET 17 HA MET 17 -4.223 -0.634 -12.382 122 1HB MET 17 HB2 MET 17 -1.767 -0.828 -12.565 123 2HB MET 17 HB1 MET 17 -1.579 0.682 -11.675 124 1HG MET 17 HG2 MET 17 -1.982 -0.310 -9.675 125 2HG MET 17 HG1 MET 17 -3.299 -1.284 -10.326 126 1HE MET 17 HE1 MET 17 -2.721 -3.061 -12.270 127 2HE MET 17 HE3 MET 17 -1.841 -4.445 -11.608 128 3HE MET 17 HE2 MET 17 -3.174 -3.731 -10.705 129 NH1 ARG 18 NH2 ARG 18 -4.839 7.456 -11.947 130 NH2 ARG 18 NH1 ARG 18 -4.841 6.391 -13.941 131 H ARG 18 HN ARG 18 -3.234 2.725 -11.850 132 HA ARG 18 HA ARG 18 -4.183 2.981 -9.170 133 1HB ARG 18 HB2 ARG 18 -4.635 5.421 -10.589 134 2HB ARG 18 HB1 ARG 18 -3.352 5.044 -9.450 135 1HG ARG 18 HG2 ARG 18 -2.032 4.020 -11.282 136 2HG ARG 18 HG1 ARG 18 -3.321 4.414 -12.418 137 1HD ARG 18 HD2 ARG 18 -2.417 6.705 -10.809 138 2HD ARG 18 HD1 ARG 18 -1.176 6.041 -11.870 139 HE ARG 18 HE ARG 18 -2.341 7.125 -13.596 140 1HH1 ARG 18 HH21 ARG 18 -4.341 7.824 -11.163 141 2HH1 ARG 18 HH22 ARG 18 -5.836 7.535 -11.987 142 1HH2 ARG 18 HH11 ARG 18 -4.345 5.944 -14.684 143 2HH2 ARG 18 HH12 ARG 18 -5.838 6.469 -13.981 144 NH1 ARG 19 NH1 ARG 19 -9.885 7.150 -17.216 145 NH2 ARG 19 NH2 ARG 19 -8.611 8.801 -16.346 146 H ARG 19 HN ARG 19 -5.769 3.976 -12.212 147 HA ARG 19 HA ARG 19 -8.217 4.732 -11.095 148 1HB ARG 19 HB2 ARG 19 -7.189 4.310 -13.699 149 2HB ARG 19 HB1 ARG 19 -8.695 3.398 -13.603 150 1HG ARG 19 HG2 ARG 19 -9.838 5.429 -12.724 151 2HG ARG 19 HG1 ARG 19 -8.336 6.332 -12.927 152 1HD ARG 19 HD2 ARG 19 -8.457 5.413 -15.392 153 2HD ARG 19 HD1 ARG 19 -10.170 5.217 -15.024 154 HE ARG 19 HE ARG 19 -9.741 7.791 -14.245 155 1HH1 ARG 19 HH11 ARG 19 -10.433 6.323 -17.094 156 2HH1 ARG 19 HH12 ARG 19 -9.765 7.539 -18.130 157 1HH2 ARG 19 HH21 ARG 19 -8.182 9.239 -15.555 158 2HH2 ARG 19 HH22 ARG 19 -8.490 9.190 -17.258 159 H ILE 20 HN ILE 20 -6.978 1.514 -11.725 160 HA ILE 20 HA ILE 20 -9.490 0.121 -11.533 161 HB ILE 20 HB ILE 20 -6.603 -0.604 -11.449 162 1HG1 ILE 20 HG12 ILE 20 -8.926 -2.010 -12.771 163 2HG1 ILE 20 HG11 ILE 20 -8.180 -0.574 -13.474 164 1HG2 ILE 20 HG22 ILE 20 -8.794 -2.296 -10.223 165 2HG2 ILE 20 HG21 ILE 20 -7.325 -3.004 -10.887 166 3HG2 ILE 20 HG23 ILE 20 -7.222 -1.881 -9.534 167 1HD1 ILE 20 HD13 ILE 20 -6.512 -2.944 -12.641 168 2HD1 ILE 20 HD12 ILE 20 -7.278 -2.882 -14.227 169 3HD1 ILE 20 HD11 ILE 20 -6.100 -1.652 -13.769 170 H VAL 21 HN VAL 21 -6.857 0.451 -9.126 171 HA VAL 21 HA VAL 21 -8.361 -0.660 -6.978 172 HB VAL 21 HB VAL 21 -6.547 1.266 -5.920 173 1HG1 VAL 21 HG12 VAL 21 -7.067 -0.993 -5.035 174 2HG1 VAL 21 HG11 VAL 21 -6.250 -1.709 -6.425 175 3HG1 VAL 21 HG13 VAL 21 -5.331 -0.762 -5.253 176 1HG2 VAL 21 HG21 VAL 21 -5.649 1.445 -8.216 177 2HG2 VAL 21 HG23 VAL 21 -4.497 0.646 -7.148 178 3HG2 VAL 21 HG22 VAL 21 -5.458 -0.307 -8.277 179 NH1 ARG 22 NH1 ARG 22 -11.201 8.164 -5.303 180 NH2 ARG 22 NH2 ARG 22 -12.198 6.241 -4.656 181 H ARG 22 HN ARG 22 -8.188 2.622 -8.251 182 HA ARG 22 HA ARG 22 -9.284 4.124 -6.169 183 1HB ARG 22 HB2 ARG 22 -9.314 4.255 -9.111 184 2HB ARG 22 HB1 ARG 22 -10.658 5.093 -8.345 185 1HG ARG 22 HG2 ARG 22 -7.840 5.500 -7.347 186 2HG ARG 22 HG1 ARG 22 -8.427 6.395 -8.746 187 1HD ARG 22 HD2 ARG 22 -8.743 7.236 -6.173 188 2HD ARG 22 HD1 ARG 22 -9.808 7.704 -7.497 189 HE ARG 22 HE ARG 22 -10.774 5.257 -6.413 190 1HH1 ARG 22 HH11 ARG 22 -10.532 8.644 -5.871 191 2HH1 ARG 22 HH12 ARG 22 -11.773 8.677 -4.663 192 1HH2 ARG 22 HH21 ARG 22 -12.294 5.249 -4.728 193 2HH2 ARG 22 HH22 ARG 22 -12.770 6.754 -4.015 194 H ASN 23 HN ASN 23 -11.147 2.397 -8.683 195 HA ASN 23 HA ASN 23 -13.712 2.816 -7.537 196 1HB ASN 23 HB2 ASN 23 -12.604 1.643 -9.790 197 2HB ASN 23 HB1 ASN 23 -13.313 0.298 -8.938 198 1HD2 ASN 23 HD22 ASN 23 -15.732 2.835 -10.898 199 2HD2 ASN 23 HD21 ASN 23 -14.043 2.851 -11.063 200 H LEU 24 HN LEU 24 -11.685 -0.085 -7.593 201 HA LEU 24 HA LEU 24 -13.036 -1.836 -5.990 202 1HB LEU 24 HB2 LEU 24 -10.701 -2.036 -7.030 203 2HB LEU 24 HB1 LEU 24 -10.104 -1.271 -5.571 204 HG LEU 24 HG LEU 24 -11.905 -3.516 -4.981 205 1HD1 LEU 24 HD12 LEU 24 -9.429 -4.013 -6.647 206 2HD1 LEU 24 HD11 LEU 24 -10.266 -5.264 -5.727 207 3HD1 LEU 24 HD13 LEU 24 -11.090 -4.445 -7.053 208 1HD2 LEU 24 HD23 LEU 24 -9.123 -2.656 -4.184 209 2HD2 LEU 24 HD22 LEU 24 -10.547 -2.893 -3.178 210 3HD2 LEU 24 HD21 LEU 24 -9.678 -4.284 -3.821 211 H LEU 25 HN LEU 25 -10.767 0.607 -4.636 212 HA LEU 25 HA LEU 25 -11.444 0.127 -1.898 213 1HB LEU 25 HB2 LEU 25 -10.163 2.360 -3.419 214 2HB LEU 25 HB1 LEU 25 -10.737 2.705 -1.795 215 HG LEU 25 HG LEU 25 -9.102 0.237 -2.277 216 1HD1 LEU 25 HD12 LEU 25 -8.178 3.083 -2.312 217 2HD1 LEU 25 HD11 LEU 25 -7.177 1.894 -1.479 218 3HD1 LEU 25 HD13 LEU 25 -7.548 1.691 -3.191 219 1HD2 LEU 25 HD21 LEU 25 -10.359 1.144 -0.082 220 2HD2 LEU 25 HD23 LEU 25 -8.825 0.281 0.014 221 3HD2 LEU 25 HD22 LEU 25 -8.851 2.043 0.087 222 H LYS 26 HN LYS 26 -12.801 2.376 -4.299 223 HA LYS 26 HA LYS 26 -14.604 3.706 -2.585 224 1HB LYS 26 HB2 LYS 26 -14.055 4.283 -5.004 225 2HB LYS 26 HB1 LYS 26 -15.176 3.002 -5.467 226 1HG LYS 26 HG2 LYS 26 -16.975 4.124 -4.186 227 2HG LYS 26 HG1 LYS 26 -15.854 5.416 -3.758 228 1HD LYS 26 HD2 LYS 26 -16.188 4.741 -6.655 229 2HD LYS 26 HD1 LYS 26 -17.469 5.652 -5.856 230 1HE LYS 26 HE2 LYS 26 -14.633 6.518 -5.439 231 2HE LYS 26 HE1 LYS 26 -15.415 6.906 -6.972 232 1HZ LYS 26 HZ2 LYS 26 -17.332 7.614 -5.310 233 2HZ LYS 26 HZ1 LYS 26 -16.001 7.877 -4.287 234 3HZ LYS 26 HZ3 LYS 26 -16.096 8.682 -5.778 235 H GLU 27 HN GLU 27 -14.944 0.671 -4.387 236 HA GLU 27 HA GLU 27 -17.654 0.153 -3.948 237 1HB GLU 27 HB2 GLU 27 -15.293 -1.403 -4.624 238 2HB GLU 27 HB1 GLU 27 -16.408 -2.325 -3.617 239 1HG GLU 27 HG2 GLU 27 -18.226 -1.952 -5.150 240 2HG GLU 27 HG1 GLU 27 -17.277 -0.790 -6.078 241 H LEU 28 HN LEU 28 -14.896 -0.606 -1.834 242 HA LEU 28 HA LEU 28 -16.484 -1.778 0.253 243 1HB LEU 28 HB2 LEU 28 -13.706 -0.678 0.051 244 2HB LEU 28 HB1 LEU 28 -14.379 -0.989 1.652 245 HG LEU 28 HG LEU 28 -14.848 -3.311 1.035 246 1HD1 LEU 28 HD13 LEU 28 -13.957 -2.318 -1.656 247 2HD1 LEU 28 HD12 LEU 28 -13.714 -4.014 -1.235 248 3HD1 LEU 28 HD11 LEU 28 -15.341 -3.332 -1.246 249 1HD2 LEU 28 HD21 LEU 28 -12.238 -2.121 1.196 250 2HD2 LEU 28 HD23 LEU 28 -12.746 -3.721 1.737 251 3HD2 LEU 28 HD22 LEU 28 -12.167 -3.491 0.087 252 H GLY 29 HN GLY 29 -14.974 1.445 0.054 253 1HA GLY 29 HA2 GLY 29 -16.942 3.161 0.633 254 2HA GLY 29 HA1 GLY 29 -16.721 2.385 2.196 255 H PHE 30 HN PHE 30 -14.754 3.959 -0.345 256 HA PHE 30 HA PHE 30 -13.408 5.519 1.772 257 1HB PHE 30 HB2 PHE 30 -11.943 3.615 -0.074 258 2HB PHE 30 HB1 PHE 30 -11.142 4.875 0.851 259 HD1 PHE 30 HD2 PHE 30 -11.212 4.809 3.349 260 HD2 PHE 30 HD1 PHE 30 -12.707 1.598 0.942 261 HE1 PHE 30 HE2 PHE 30 -11.167 3.308 5.330 262 HE2 PHE 30 HE1 PHE 30 -12.668 0.092 2.916 263 HZ PHE 30 HZ PHE 30 -11.898 0.951 5.109 264 H ASN 31 HN ASN 31 -13.052 7.582 1.012 265 HA ASN 31 HA ASN 31 -12.893 7.990 -1.942 266 1HB ASN 31 HB2 ASN 31 -14.876 9.032 -0.006 267 2HB ASN 31 HB1 ASN 31 -14.224 10.218 -1.131 268 1HD2 ASN 31 HD22 ASN 31 -16.264 9.062 -3.740 269 2HD2 ASN 31 HD21 ASN 31 -15.414 10.348 -3.030 270 H ASN 32 HN ASN 32 -10.540 8.055 -1.167 271 HA ASN 32 HA ASN 32 -9.595 10.746 -1.173 272 1HB ASN 32 HB2 ASN 32 -10.459 10.083 1.358 273 2HB ASN 32 HB1 ASN 32 -8.760 9.635 1.432 274 1HD2 ASN 32 HD22 ASN 32 -9.730 13.508 1.629 275 2HD2 ASN 32 HD21 ASN 32 -10.852 12.249 1.820 276 H VAL 33 HN VAL 33 -8.116 9.990 -2.709 277 HA VAL 33 HA VAL 33 -5.912 8.293 -1.657 278 HB VAL 33 HB VAL 33 -7.494 7.703 -4.175 279 1HG1 VAL 33 HG11 VAL 33 -4.789 6.976 -3.319 280 2HG1 VAL 33 HG13 VAL 33 -5.792 5.580 -3.706 281 3HG1 VAL 33 HG12 VAL 33 -5.539 6.847 -4.907 282 1HG2 VAL 33 HG22 VAL 33 -7.289 6.408 -1.467 283 2HG2 VAL 33 HG21 VAL 33 -8.733 6.812 -2.389 284 3HG2 VAL 33 HG23 VAL 33 -7.723 5.455 -2.883 285 H GLU 34 HN GLU 34 -3.907 8.612 -2.783 286 HA GLU 34 HA GLU 34 -3.954 10.774 -4.863 287 1HB GLU 34 HB2 GLU 34 -2.180 10.392 -2.484 288 2HB GLU 34 HB1 GLU 34 -1.536 11.173 -3.923 289 1HG GLU 34 HG2 GLU 34 -4.199 12.092 -2.943 290 2HG GLU 34 HG1 GLU 34 -2.786 12.577 -2.009 291 H GLU 35 HN GLU 35 -1.416 10.613 -5.812 292 HA GLU 35 HA GLU 35 -0.922 7.737 -6.415 293 1HB GLU 35 HB2 GLU 35 -1.527 9.921 -8.410 294 2HB GLU 35 HB1 GLU 35 -0.643 8.467 -8.864 295 1HG GLU 35 HG2 GLU 35 -2.483 7.072 -8.495 296 2HG GLU 35 HG1 GLU 35 -3.267 8.224 -7.418 297 H ALA 36 HN ALA 36 1.159 7.320 -7.280 298 HA ALA 36 HA ALA 36 3.118 9.513 -7.444 299 1HB ALA 36 HB1 ALA 36 2.870 7.791 -5.116 300 2HB ALA 36 HB3 ALA 36 4.444 7.596 -5.886 301 3HB ALA 36 HB2 ALA 36 3.915 9.190 -5.356 302 H GLU 37 HN GLU 37 5.417 7.973 -7.659 303 HA GLU 37 HA GLU 37 4.779 5.706 -9.446 304 1HB GLU 37 HB2 GLU 37 5.721 6.602 -11.406 305 2HB GLU 37 HB1 GLU 37 4.784 7.947 -10.756 306 1HG GLU 37 HG2 GLU 37 7.008 8.553 -9.509 307 2HG GLU 37 HG1 GLU 37 7.763 7.541 -10.742 308 H ASP 38 HN ASP 38 6.513 6.640 -6.930 309 HA ASP 38 HA ASP 38 8.525 4.620 -7.271 310 1HB ASP 38 HB2 ASP 38 9.323 6.659 -8.753 311 2HB ASP 38 HB1 ASP 38 9.775 7.351 -7.199 312 H GLY 39 HN GLY 39 9.815 4.391 -5.323 313 1HA GLY 39 HA2 GLY 39 8.493 5.151 -2.931 314 2HA GLY 39 HA1 GLY 39 10.164 4.594 -3.005 315 H VAL 40 HN VAL 40 10.879 6.758 -4.909 316 HA VAL 40 HA VAL 40 11.573 8.788 -2.945 317 HB VAL 40 HB VAL 40 11.924 8.657 -5.954 318 1HG1 VAL 40 HG13 VAL 40 12.342 10.835 -4.008 319 2HG1 VAL 40 HG12 VAL 40 13.738 10.493 -5.031 320 3HG1 VAL 40 HG11 VAL 40 12.188 10.908 -5.764 321 1HG2 VAL 40 HG21 VAL 40 13.191 7.140 -4.175 322 2HG2 VAL 40 HG23 VAL 40 14.061 7.854 -5.532 323 3HG2 VAL 40 HG22 VAL 40 14.142 8.607 -3.939 324 H ASP 41 HN ASP 41 9.261 8.484 -5.609 325 HA ASP 41 HA ASP 41 8.337 11.218 -5.510 326 1HB ASP 41 HB2 ASP 41 7.988 9.345 -7.318 327 2HB ASP 41 HB1 ASP 41 6.607 8.899 -6.325 328 H ALA 42 HN ALA 42 7.376 8.185 -3.993 329 HA ALA 42 HA ALA 42 5.066 9.244 -2.626 330 1HB ALA 42 HB1 ALA 42 6.482 6.725 -2.803 331 2HB ALA 42 HB3 ALA 42 6.109 7.096 -1.120 332 3HB ALA 42 HB2 ALA 42 4.815 7.026 -2.313 333 H LEU 43 HN LEU 43 8.442 8.639 -1.616 334 HA LEU 43 HA LEU 43 8.234 9.431 1.073 335 1HB LEU 43 HB2 LEU 43 10.293 8.484 0.167 336 2HB LEU 43 HB1 LEU 43 10.519 9.894 -0.869 337 HG LEU 43 HG LEU 43 10.142 10.596 1.954 338 1HD1 LEU 43 HD12 LEU 43 12.542 8.939 1.115 339 2HD1 LEU 43 HD11 LEU 43 12.422 9.843 2.625 340 3HD1 LEU 43 HD13 LEU 43 11.334 8.491 2.319 341 1HD2 LEU 43 HD21 LEU 43 10.906 12.143 0.164 342 2HD2 LEU 43 HD23 LEU 43 12.094 12.011 1.460 343 3HD2 LEU 43 HD22 LEU 43 12.347 11.152 -0.059 344 H ASN 44 HN ASN 44 8.541 11.452 -1.829 345 HA ASN 44 HA ASN 44 8.816 13.917 -0.311 346 1HB ASN 44 HB2 ASN 44 8.469 13.181 -3.185 347 2HB ASN 44 HB1 ASN 44 8.069 14.829 -2.702 348 1HD2 ASN 44 HD22 ASN 44 11.973 13.570 -2.344 349 2HD2 ASN 44 HD21 ASN 44 10.728 12.416 -2.332 350 H LYS 45 HN LYS 45 6.125 12.154 -1.772 351 HA LYS 45 HA LYS 45 4.250 14.330 -1.091 352 1HB LYS 45 HB2 LYS 45 4.243 12.016 -2.854 353 2HB LYS 45 HB1 LYS 45 2.770 12.093 -1.887 354 1HG LYS 45 HG2 LYS 45 2.338 14.365 -2.617 355 2HG LYS 45 HG1 LYS 45 3.890 14.434 -3.454 356 1HD LYS 45 HD2 LYS 45 3.133 12.543 -4.909 357 2HD LYS 45 HD1 LYS 45 1.551 12.629 -4.135 358 1HE LYS 45 HE2 LYS 45 1.957 15.249 -4.818 359 2HE LYS 45 HE1 LYS 45 2.757 14.414 -6.149 360 1HZ LYS 45 HZ1 LYS 45 0.510 12.988 -5.894 361 2HZ LYS 45 HZ3 LYS 45 -0.050 14.528 -5.458 362 3HZ LYS 45 HZ2 LYS 45 0.691 14.290 -6.968 363 H LEU 46 HN LEU 46 5.529 11.551 0.421 364 HA LEU 46 HA LEU 46 3.284 10.662 1.943 365 1HB LEU 46 HB2 LEU 46 6.106 10.157 1.862 366 2HB LEU 46 HB1 LEU 46 5.661 10.478 3.534 367 HG LEU 46 HG LEU 46 5.490 8.066 2.972 368 1HD1 LEU 46 HD13 LEU 46 3.417 9.719 4.104 369 2HD1 LEU 46 HD12 LEU 46 2.702 8.311 3.321 370 3HD1 LEU 46 HD11 LEU 46 3.924 8.097 4.574 371 1HD2 LEU 46 HD23 LEU 46 4.299 9.043 0.591 372 2HD2 LEU 46 HD22 LEU 46 4.553 7.361 1.050 373 3HD2 LEU 46 HD21 LEU 46 3.042 8.168 1.461 374 H GLN 47 HN GLN 47 5.038 13.586 2.034 375 HA GLN 47 HA GLN 47 4.292 14.157 4.847 376 1HB GLN 47 HB2 GLN 47 6.119 15.371 2.830 377 2HB GLN 47 HB1 GLN 47 5.385 16.468 4.000 378 1HG GLN 47 HG2 GLN 47 6.204 15.068 5.848 379 2HG GLN 47 HG1 GLN 47 6.917 13.945 4.690 380 1HE2 GLN 47 HE22 GLN 47 9.579 16.208 3.785 381 2HE2 GLN 47 HE21 GLN 47 8.596 14.977 3.153 382 H ALA 48 HN ALA 48 2.871 14.316 1.853 383 HA ALA 48 HA ALA 48 1.653 16.775 1.556 384 1HB ALA 48 HB2 ALA 48 0.295 14.075 1.296 385 2HB ALA 48 HB1 ALA 48 -0.278 15.583 0.580 386 3HB ALA 48 HB3 ALA 48 1.244 14.873 0.041 387 H GLY 49 HN GLY 49 0.048 14.108 3.339 388 1HA GLY 49 HA2 GLY 49 -0.869 16.117 5.349 389 2HA GLY 49 HA1 GLY 49 -2.061 15.084 4.561 390 H GLY 50 HN GLY 50 -2.130 12.870 5.101 391 1HA GLY 50 HA2 GLY 50 -0.151 11.693 6.889 392 2HA GLY 50 HA1 GLY 50 -1.677 12.054 7.692 393 OH TYR 51 OH TYR 51 -0.849 11.676 -1.082 394 H TYR 51 HN TYR 51 -0.506 10.512 4.696 395 HA TYR 51 HA TYR 51 -2.754 9.052 3.991 396 1HB TYR 51 HB2 TYR 51 0.164 8.274 3.903 397 2HB TYR 51 HB1 TYR 51 -1.109 7.295 3.187 398 HD1 TYR 51 HD1 TYR 51 -2.820 8.613 1.662 399 HD2 TYR 51 HD2 TYR 51 1.158 9.915 2.593 400 HE1 TYR 51 HE1 TYR 51 -2.847 10.102 -0.313 401 HE2 TYR 51 HE2 TYR 51 1.142 11.390 0.607 402 HH TYR 51 HH TYR 51 -0.798 12.582 -0.769 403 H GLY 52 HN GLY 52 -3.978 8.202 5.685 404 1HA GLY 52 HA2 GLY 52 -2.819 6.778 7.879 405 2HA GLY 52 HA1 GLY 52 -4.516 6.695 7.412 406 H PHE 53 HN PHE 53 -2.748 6.038 4.709 407 HA PHE 53 HA PHE 53 -2.109 3.242 5.219 408 1HB PHE 53 HB2 PHE 53 -4.761 3.854 4.689 409 2HB PHE 53 HB1 PHE 53 -4.125 3.379 3.122 410 HD1 PHE 53 HD1 PHE 53 -4.668 2.273 6.624 411 HD2 PHE 53 HD2 PHE 53 -3.474 1.103 2.676 412 HE1 PHE 53 HE1 PHE 53 -4.920 -0.095 7.244 413 HE2 PHE 53 HE2 PHE 53 -3.728 -1.257 3.288 414 HZ PHE 53 HZ PHE 53 -4.431 -1.881 5.586 415 H VAL 54 HN VAL 54 -0.961 2.333 3.385 416 HA VAL 54 HA VAL 54 -0.735 4.081 0.987 417 HB VAL 54 HB VAL 54 1.684 3.117 2.510 418 1HG1 VAL 54 HG12 VAL 54 1.281 3.983 -0.197 419 2HG1 VAL 54 HG11 VAL 54 2.270 5.174 0.648 420 3HG1 VAL 54 HG13 VAL 54 2.782 3.488 0.584 421 1HG2 VAL 54 HG23 VAL 54 0.479 5.880 2.231 422 2HG2 VAL 54 HG22 VAL 54 0.611 4.945 3.720 423 3HG2 VAL 54 HG21 VAL 54 2.063 5.551 2.928 424 H ILE 55 HN ILE 55 -1.077 2.812 -0.704 425 HA ILE 55 HA ILE 55 -0.421 -0.093 -0.525 426 HB ILE 55 HB ILE 55 -1.996 1.401 -2.656 427 1HG1 ILE 55 HG12 ILE 55 -3.017 -0.171 -0.267 428 2HG1 ILE 55 HG11 ILE 55 -3.025 1.589 -0.384 429 1HG2 ILE 55 HG23 ILE 55 -1.064 -0.800 -3.315 430 2HG2 ILE 55 HG22 ILE 55 -1.850 -1.536 -1.917 431 3HG2 ILE 55 HG21 ILE 55 -2.824 -0.842 -3.213 432 1HD1 ILE 55 HD13 ILE 55 -4.435 1.436 -2.417 433 2HD1 ILE 55 HD12 ILE 55 -4.457 -0.320 -2.257 434 3HD1 ILE 55 HD11 ILE 55 -5.218 0.686 -1.026 435 H SER 56 HN SER 56 1.796 -0.136 -1.001 436 HA SER 56 HA SER 56 2.737 1.303 -3.439 437 1HB SER 56 HB2 SER 56 5.013 0.710 -2.556 438 2HB SER 56 HB1 SER 56 4.074 1.723 -1.464 439 HG SER 56 HG SER 56 3.375 -0.455 -0.596 440 H ASP 57 HN ASP 57 3.815 0.158 -5.108 441 HA ASP 57 HA ASP 57 2.945 -2.620 -5.419 442 1HB ASP 57 HB2 ASP 57 4.608 -0.776 -7.161 443 2HB ASP 57 HB1 ASP 57 4.205 -2.434 -7.609 444 CH2 TRP 58 CH2 TRP 58 10.526 -5.521 -1.270 445 H TRP 58 HN TRP 58 6.012 -2.151 -6.789 446 HA TRP 58 HA TRP 58 7.678 -2.906 -4.559 447 1HB TRP 58 HB2 TRP 58 6.332 -5.016 -4.868 448 2HB TRP 58 HB1 TRP 58 6.985 -5.138 -6.499 449 HD1 TRP 58 HD1 TRP 58 9.057 -6.575 -6.679 450 HE1 TRP 58 HE1 TRP 58 10.948 -7.309 -5.089 451 HE3 TRP 58 HE3 TRP 58 7.729 -3.991 -2.480 452 HZ2 TRP 58 HZ2 TRP 58 11.784 -6.863 -2.396 453 HZ3 TRP 58 HZ3 TRP 58 9.091 -4.161 -0.417 454 HH2 TRP 58 HH2 TRP 58 11.116 -5.590 -0.368 455 H ASN 59 HN ASN 59 7.192 -3.166 -8.079 456 HA ASN 59 HA ASN 59 10.108 -2.784 -8.497 457 1HB ASN 59 HB2 ASN 59 9.375 -4.463 -9.941 458 2HB ASN 59 HB1 ASN 59 7.819 -3.681 -10.219 459 1HD2 ASN 59 HD22 ASN 59 11.051 -2.620 -12.484 460 2HD2 ASN 59 HD21 ASN 59 11.248 -3.629 -11.134 461 H MET 60 HN MET 60 10.470 -0.600 -8.120 462 HA MET 60 HA MET 60 9.071 1.289 -9.960 463 1HB MET 60 HB2 MET 60 9.906 2.781 -7.723 464 2HB MET 60 HB1 MET 60 8.247 2.380 -8.160 465 1HG MET 60 HG2 MET 60 10.023 0.526 -6.552 466 2HG MET 60 HG1 MET 60 8.953 1.711 -5.814 467 1HE MET 60 HE1 MET 60 7.327 0.572 -4.582 468 2HE MET 60 HE3 MET 60 6.403 1.582 -5.701 469 3HE MET 60 HE2 MET 60 5.868 -0.055 -5.336 470 HA PRO 61 HA PRO 61 13.035 2.675 -11.265 471 1HB PRO 61 HB2 PRO 61 12.696 5.471 -10.665 472 2HB PRO 61 HB1 PRO 61 12.571 4.673 -12.237 473 1HG PRO 61 HG2 PRO 61 10.426 5.705 -10.585 474 2HG PRO 61 HG1 PRO 61 10.316 4.988 -12.197 475 1HD PRO 61 HD2 PRO 61 9.446 3.820 -9.749 476 2HD PRO 61 HD1 PRO 61 9.511 3.047 -11.345 477 H ASN 62 HN ASN 62 15.089 3.183 -10.346 478 HA ASN 62 HA ASN 62 16.647 3.532 -8.624 479 1HB ASN 62 HB2 ASN 62 14.586 4.799 -6.868 480 2HB ASN 62 HB1 ASN 62 16.253 5.288 -7.173 481 1HD2 ASN 62 HD22 ASN 62 13.604 7.416 -9.032 482 2HD2 ASN 62 HD21 ASN 62 13.530 6.763 -7.468 483 H MET 63 HN MET 63 16.181 3.475 -5.802 484 HA MET 63 HA MET 63 16.201 0.749 -5.220 485 1HB MET 63 HB2 MET 63 15.124 2.985 -3.473 486 2HB MET 63 HB1 MET 63 15.583 1.381 -2.900 487 1HG MET 63 HG2 MET 63 17.731 2.442 -4.479 488 2HG MET 63 HG1 MET 63 17.268 3.642 -3.274 489 1HE MET 63 HE3 MET 63 19.535 3.512 -2.493 490 2HE MET 63 HE2 MET 63 18.613 3.599 -0.995 491 3HE MET 63 HE1 MET 63 19.990 2.507 -1.110 492 H ASP 64 HN ASP 64 14.541 -0.669 -4.293 493 HA ASP 64 HA ASP 64 11.990 -0.398 -5.691 494 1HB ASP 64 HB2 ASP 64 11.798 -2.487 -3.807 495 2HB ASP 64 HB1 ASP 64 12.150 -2.640 -5.528 496 H GLY 65 HN GLY 65 9.920 -0.869 -4.289 497 1HA GLY 65 HA2 GLY 65 9.551 1.323 -2.510 498 2HA GLY 65 HA1 GLY 65 8.451 -0.043 -2.642 499 H LEU 66 HN LEU 66 11.347 -1.425 -2.036 500 HA LEU 66 HA LEU 66 10.688 -2.231 0.603 501 1HB LEU 66 HB2 LEU 66 12.253 -3.548 -0.696 502 2HB LEU 66 HB1 LEU 66 13.353 -2.179 -0.848 503 HG LEU 66 HG LEU 66 13.874 -2.235 1.510 504 1HD1 LEU 66 HD12 LEU 66 11.555 -4.152 1.608 505 2HD1 LEU 66 HD11 LEU 66 12.783 -4.165 2.869 506 3HD1 LEU 66 HD13 LEU 66 11.826 -2.712 2.586 507 1HD2 LEU 66 HD21 LEU 66 14.523 -4.254 -0.244 508 2HD2 LEU 66 HD23 LEU 66 15.232 -4.051 1.357 509 3HD2 LEU 66 HD22 LEU 66 13.877 -5.156 1.127 510 H GLU 67 HN GLU 67 13.111 0.161 -0.497 511 HA GLU 67 HA GLU 67 13.823 1.069 2.116 512 1HB GLU 67 HB2 GLU 67 14.849 1.562 -0.293 513 2HB GLU 67 HB1 GLU 67 13.803 2.979 -0.190 514 1HG GLU 67 HG2 GLU 67 15.908 3.645 0.734 515 2HG GLU 67 HG1 GLU 67 14.823 3.411 2.105 516 H LEU 68 HN LEU 68 10.881 1.232 0.571 517 HA LEU 68 HA LEU 68 10.096 3.881 1.571 518 1HB LEU 68 HB2 LEU 68 9.222 2.552 -0.558 519 2HB LEU 68 HB1 LEU 68 8.122 1.837 0.615 520 HG LEU 68 HG LEU 68 7.452 4.149 1.322 521 1HD1 LEU 68 HD12 LEU 68 9.491 4.831 -0.739 522 2HD1 LEU 68 HD11 LEU 68 8.011 5.787 -0.755 523 3HD1 LEU 68 HD13 LEU 68 9.000 5.724 0.699 524 1HD2 LEU 68 HD21 LEU 68 7.084 3.445 -1.607 525 2HD2 LEU 68 HD23 LEU 68 6.099 2.855 -0.269 526 3HD2 LEU 68 HD22 LEU 68 6.069 4.565 -0.698 527 H LEU 69 HN LEU 69 8.738 0.602 2.071 528 HA LEU 69 HA LEU 69 7.400 1.352 4.489 529 1HB LEU 69 HB2 LEU 69 6.469 -0.663 4.195 530 2HB LEU 69 HB1 LEU 69 7.542 -0.914 2.834 531 HG LEU 69 HG LEU 69 9.274 -1.801 4.484 532 1HD1 LEU 69 HD11 LEU 69 7.141 -1.051 6.355 533 2HD1 LEU 69 HD13 LEU 69 7.576 -2.754 6.510 534 3HD1 LEU 69 HD12 LEU 69 8.804 -1.510 6.695 535 1HD2 LEU 69 HD21 LEU 69 6.827 -3.039 3.493 536 2HD2 LEU 69 HD23 LEU 69 8.467 -3.673 3.534 537 3HD2 LEU 69 HD22 LEU 69 7.428 -3.845 4.943 538 H LYS 70 HN LYS 70 10.627 0.172 3.803 539 HA LYS 70 HA LYS 70 11.374 -0.413 6.526 540 1HB LYS 70 HB2 LYS 70 12.586 -1.037 4.300 541 2HB LYS 70 HB1 LYS 70 13.308 0.567 4.431 542 1HG LYS 70 HG2 LYS 70 14.168 0.018 6.667 543 2HG LYS 70 HG1 LYS 70 13.420 -1.578 6.572 544 1HD LYS 70 HD2 LYS 70 15.038 -2.394 5.197 545 2HD LYS 70 HD1 LYS 70 15.141 -0.894 4.273 546 1HE LYS 70 HE2 LYS 70 16.437 0.147 6.096 547 2HE LYS 70 HE1 LYS 70 16.329 -1.347 7.028 548 1HZ LYS 70 HZ3 LYS 70 17.265 -2.167 4.616 549 2HZ LYS 70 HZ2 LYS 70 18.055 -0.679 4.836 550 3HZ LYS 70 HZ1 LYS 70 18.208 -1.906 6.001 551 H THR 71 HN THR 71 12.253 2.386 4.454 552 HA THR 71 HA THR 71 13.349 4.003 6.473 553 HB THR 71 HB THR 71 11.662 4.912 4.117 554 HG1 THR 71 HG1 THR 71 13.729 5.087 3.130 555 1HG2 THR 71 HG22 THR 71 12.992 6.335 6.248 556 2HG2 THR 71 HG21 THR 71 13.750 6.718 4.701 557 3HG2 THR 71 HG23 THR 71 12.020 6.980 4.925 558 H ILE 72 HN ILE 72 9.952 3.566 5.536 559 HA ILE 72 HA ILE 72 8.828 5.540 7.265 560 HB ILE 72 HB ILE 72 7.828 2.979 6.051 561 1HG1 ILE 72 HG12 ILE 72 6.849 5.838 5.794 562 2HG1 ILE 72 HG11 ILE 72 8.090 5.149 4.752 563 1HG2 ILE 72 HG23 ILE 72 6.493 4.676 8.148 564 2HG2 ILE 72 HG22 ILE 72 5.534 3.793 6.961 565 3HG2 ILE 72 HG21 ILE 72 6.602 2.919 8.058 566 1HD1 ILE 72 HD13 ILE 72 6.040 3.257 4.654 567 2HD1 ILE 72 HD12 ILE 72 5.187 4.798 4.655 568 3HD1 ILE 72 HD11 ILE 72 6.396 4.461 3.419 569 NH1 ARG 73 NH2 ARG 73 14.430 -1.071 11.870 570 NH2 ARG 73 NH1 ARG 73 13.836 -1.415 14.022 571 H ARG 73 HN ARG 73 10.041 2.305 7.824 572 HA ARG 73 HA ARG 73 8.930 2.143 10.538 573 1HB ARG 73 HB2 ARG 73 9.194 0.081 9.271 574 2HB ARG 73 HB1 ARG 73 10.907 0.407 9.026 575 1HG ARG 73 HG2 ARG 73 10.095 0.453 11.851 576 2HG ARG 73 HG1 ARG 73 9.875 -1.113 11.074 577 1HD ARG 73 HD2 ARG 73 12.167 -1.257 10.461 578 2HD ARG 73 HD1 ARG 73 12.446 0.451 10.796 579 HE ARG 73 HE ARG 73 11.602 -0.753 13.216 580 1HH1 ARG 73 HH21 ARG 73 14.186 -0.818 10.933 581 2HH1 ARG 73 HH22 ARG 73 15.375 -1.313 12.091 582 1HH2 ARG 73 HH11 ARG 73 13.135 -1.425 14.736 583 2HH2 ARG 73 HH12 ARG 73 14.780 -1.657 14.244 584 H ALA 74 HN ALA 74 11.830 3.292 9.002 585 HA ALA 74 HA ALA 74 13.801 3.084 10.943 586 1HB ALA 74 HB3 ALA 74 14.066 4.254 8.755 587 2HB ALA 74 HB2 ALA 74 13.149 5.614 9.403 588 3HB ALA 74 HB1 ALA 74 14.711 5.190 10.104 589 H ASP 75 HN ASP 75 10.867 4.974 11.087 590 HA ASP 75 HA ASP 75 11.700 6.637 13.317 591 1HB ASP 75 HB2 ASP 75 9.805 7.169 11.717 592 2HB ASP 75 HB1 ASP 75 8.866 5.914 12.528 593 H GLY 76 HN GLY 76 9.522 3.801 13.077 594 1HA GLY 76 HA2 GLY 76 9.252 2.045 14.637 595 2HA GLY 76 HA1 GLY 76 10.502 2.788 15.637 596 H ALA 77 HN ALA 77 8.919 5.411 15.391 597 HA ALA 77 HA ALA 77 7.239 4.898 17.757 598 1HB ALA 77 HB3 ALA 77 7.928 7.457 16.283 599 2HB ALA 77 HB2 ALA 77 6.970 7.382 17.762 600 3HB ALA 77 HB1 ALA 77 8.661 6.880 17.779 601 H MET 78 HN MET 78 6.403 7.235 15.253 602 HA MET 78 HA MET 78 3.699 6.015 15.126 603 1HB MET 78 HB2 MET 78 4.845 8.711 14.476 604 2HB MET 78 HB1 MET 78 3.325 8.214 13.731 605 1HG MET 78 HG2 MET 78 3.107 9.470 15.940 606 2HG MET 78 HG1 MET 78 2.272 7.919 15.858 607 1HE MET 78 HE2 MET 78 5.570 9.714 16.805 608 2HE MET 78 HE1 MET 78 4.275 10.116 17.930 609 3HE MET 78 HE3 MET 78 5.698 9.230 18.495 610 H SER 79 HN SER 79 6.557 6.515 13.181 611 HA SER 79 HA SER 79 7.053 5.876 10.975 612 1HB SER 79 HB2 SER 79 4.797 3.902 11.425 613 2HB SER 79 HB1 SER 79 6.117 3.751 10.269 614 HG SER 79 HG SER 79 6.252 3.748 13.104 615 H ALA 80 HN ALA 80 4.476 4.568 9.578 616 HA ALA 80 HA ALA 80 3.111 7.126 8.896 617 1HB ALA 80 HB3 ALA 80 5.054 6.290 7.256 618 2HB ALA 80 HB2 ALA 80 3.751 5.266 6.650 619 3HB ALA 80 HB1 ALA 80 3.574 7.020 6.639 620 H LEU 81 HN LEU 81 2.088 5.108 10.526 621 HA LEU 81 HA LEU 81 0.322 3.647 10.774 622 1HB LEU 81 HB2 LEU 81 -0.324 5.979 9.293 623 2HB LEU 81 HB1 LEU 81 -1.229 4.678 8.579 624 HG LEU 81 HG LEU 81 -1.786 4.104 11.155 625 1HD1 LEU 81 HD13 LEU 81 -0.118 6.085 11.666 626 2HD1 LEU 81 HD12 LEU 81 -1.556 7.072 11.404 627 3HD1 LEU 81 HD11 LEU 81 -1.552 5.835 12.660 628 1HD2 LEU 81 HD21 LEU 81 -3.370 5.034 9.278 629 2HD2 LEU 81 HD23 LEU 81 -3.841 5.182 10.966 630 3HD2 LEU 81 HD22 LEU 81 -3.157 6.567 10.125 631 HA PRO 82 HA PRO 82 0.439 0.057 8.326 632 1HB PRO 82 HB2 PRO 82 -2.106 0.014 6.980 633 2HB PRO 82 HB1 PRO 82 -1.548 -0.970 8.328 634 1HG PRO 82 HG2 PRO 82 -3.394 1.238 8.398 635 2HG PRO 82 HG1 PRO 82 -2.857 0.229 9.747 636 1HD PRO 82 HD2 PRO 82 -2.208 2.925 9.258 637 2HD PRO 82 HD1 PRO 82 -1.526 1.897 10.523 638 H VAL 83 HN VAL 83 1.365 -0.574 6.570 639 HA VAL 83 HA VAL 83 0.893 0.804 3.952 640 HB VAL 83 HB VAL 83 3.462 -0.034 5.304 641 1HG1 VAL 83 HG13 VAL 83 2.816 -0.256 2.354 642 2HG1 VAL 83 HG12 VAL 83 4.449 0.146 2.871 643 3HG1 VAL 83 HG11 VAL 83 3.726 -1.376 3.375 644 1HG2 VAL 83 HG22 VAL 83 2.369 2.414 4.588 645 2HG2 VAL 83 HG21 VAL 83 4.050 2.108 5.001 646 3HG2 VAL 83 HG23 VAL 83 3.550 2.086 3.314 647 H LEU 84 HN LEU 84 -0.127 -0.774 2.697 648 HA LEU 84 HA LEU 84 0.685 -3.559 3.292 649 1HB LEU 84 HB2 LEU 84 -1.777 -3.073 3.357 650 2HB LEU 84 HB1 LEU 84 -1.693 -2.620 1.666 651 HG LEU 84 HG LEU 84 -1.607 -4.795 0.942 652 1HD1 LEU 84 HD12 LEU 84 -0.197 -5.607 3.514 653 2HD1 LEU 84 HD11 LEU 84 -0.615 -6.699 2.202 654 3HD1 LEU 84 HD13 LEU 84 0.556 -5.420 1.928 655 1HD2 LEU 84 HD23 LEU 84 -3.552 -4.510 2.565 656 2HD2 LEU 84 HD22 LEU 84 -3.081 -6.172 2.209 657 3HD2 LEU 84 HD21 LEU 84 -2.587 -5.422 3.728 658 H MET 85 HN MET 85 2.423 -4.048 2.126 659 HA MET 85 HA MET 85 3.014 -2.751 -0.357 660 1HB MET 85 HB2 MET 85 4.438 -4.309 1.398 661 2HB MET 85 HB1 MET 85 4.187 -5.443 0.070 662 1HG MET 85 HG2 MET 85 6.185 -4.329 -0.520 663 2HG MET 85 HG1 MET 85 4.950 -3.494 -1.462 664 1HE MET 85 HE3 MET 85 6.706 -1.869 -1.832 665 2HE MET 85 HE2 MET 85 7.155 -0.546 -0.758 666 3HE MET 85 HE1 MET 85 7.948 -2.111 -0.595 667 H VAL 86 HN VAL 86 2.974 -3.802 -2.510 668 HA VAL 86 HA VAL 86 1.000 -6.038 -2.721 669 HB VAL 86 HB VAL 86 1.019 -3.549 -4.441 670 1HG1 VAL 86 HG13 VAL 86 -0.797 -5.956 -4.228 671 2HG1 VAL 86 HG12 VAL 86 -1.234 -4.484 -5.098 672 3HG1 VAL 86 HG11 VAL 86 0.153 -5.441 -5.619 673 1HG2 VAL 86 HG21 VAL 86 -0.342 -4.225 -1.882 674 2HG2 VAL 86 HG23 VAL 86 0.116 -2.653 -2.531 675 3HG2 VAL 86 HG22 VAL 86 -1.337 -3.463 -3.122 676 H THR 87 HN THR 87 1.441 -7.523 -4.365 677 HA THR 87 HA THR 87 3.487 -6.790 -6.385 678 HB THR 87 HB THR 87 4.825 -7.616 -4.492 679 HG1 THR 87 HG1 THR 87 5.193 -8.225 -6.803 680 1HG2 THR 87 HG22 THR 87 2.674 -9.263 -4.023 681 2HG2 THR 87 HG21 THR 87 3.857 -10.380 -4.699 682 3HG2 THR 87 HG23 THR 87 4.257 -9.433 -3.267 683 H ALA 88 HN ALA 88 3.893 -8.861 -7.819 684 HA ALA 88 HA ALA 88 1.204 -9.912 -8.511 685 1HB ALA 88 HB3 ALA 88 2.778 -8.841 -10.231 686 2HB ALA 88 HB2 ALA 88 3.766 -10.293 -10.070 687 3HB ALA 88 HB1 ALA 88 2.110 -10.415 -10.662 688 H GLU 89 HN GLU 89 3.106 -12.077 -9.902 689 HA GLU 89 HA GLU 89 2.428 -14.253 -8.251 690 1HB GLU 89 HB2 GLU 89 4.220 -15.498 -9.423 691 2HB GLU 89 HB1 GLU 89 3.263 -14.536 -10.552 692 1HG GLU 89 HG2 GLU 89 5.257 -12.780 -9.734 693 2HG GLU 89 HG1 GLU 89 6.099 -14.323 -9.878 694 H ALA 90 HN ALA 90 2.841 -13.647 -6.060 695 HA ALA 90 HA ALA 90 5.191 -12.647 -4.945 696 1HB ALA 90 HB2 ALA 90 3.296 -14.741 -3.843 697 2HB ALA 90 HB1 ALA 90 4.546 -13.948 -2.886 698 3HB ALA 90 HB3 ALA 90 3.229 -12.999 -3.575 699 H LYS 91 HN LYS 91 7.252 -13.370 -5.143 700 HA LYS 91 HA LYS 91 7.719 -16.237 -5.755 701 1HB LYS 91 HB2 LYS 91 8.981 -13.786 -6.497 702 2HB LYS 91 HB1 LYS 91 10.152 -14.740 -5.585 703 1HG LYS 91 HG2 LYS 91 9.747 -16.673 -7.044 704 2HG LYS 91 HG1 LYS 91 8.535 -15.756 -7.941 705 1HD LYS 91 HD2 LYS 91 10.285 -14.092 -8.549 706 2HD LYS 91 HD1 LYS 91 11.485 -15.088 -7.724 707 1HE LYS 91 HE2 LYS 91 10.875 -16.987 -9.239 708 2HE LYS 91 HE1 LYS 91 9.807 -15.893 -10.117 709 1HZ LYS 91 HZ2 LYS 91 12.485 -14.893 -9.713 710 2HZ LYS 91 HZ1 LYS 91 12.399 -16.278 -10.694 711 3HZ LYS 91 HZ3 LYS 91 11.522 -14.887 -11.112 712 H LYS 92 HN LYS 92 7.245 -14.593 -3.019 713 HA LYS 92 HA LYS 92 7.736 -15.168 -0.788 714 1HB LYS 92 HB2 LYS 92 8.228 -17.498 -2.060 715 2HB LYS 92 HB1 LYS 92 9.866 -17.106 -1.536 716 1HG LYS 92 HG2 LYS 92 8.977 -16.757 0.785 717 2HG LYS 92 HG1 LYS 92 7.408 -17.333 0.222 718 1HD LYS 92 HD2 LYS 92 8.094 -19.446 0.576 719 2HD LYS 92 HD1 LYS 92 9.328 -19.221 -0.664 720 1HE LYS 92 HE2 LYS 92 10.416 -19.894 1.406 721 2HE LYS 92 HE1 LYS 92 10.821 -18.210 1.071 722 1HZ LYS 92 HZ2 LYS 92 8.607 -19.069 2.852 723 2HZ LYS 92 HZ1 LYS 92 10.157 -18.636 3.399 724 3HZ LYS 92 HZ3 LYS 92 9.182 -17.486 2.623 725 H GLU 93 HN GLU 93 10.779 -15.551 -2.650 726 HA GLU 93 HA GLU 93 12.552 -14.467 -0.827 727 1HB GLU 93 HB2 GLU 93 12.440 -14.573 -3.794 728 2HB GLU 93 HB1 GLU 93 13.586 -13.428 -3.096 729 1HG GLU 93 HG2 GLU 93 14.616 -15.658 -3.456 730 2HG GLU 93 HG1 GLU 93 14.589 -15.215 -1.749 731 H ASN 94 HN ASN 94 10.279 -12.723 -2.901 732 HA ASN 94 HA ASN 94 11.347 -10.118 -2.062 733 1HB ASN 94 HB2 ASN 94 10.429 -9.608 -4.060 734 2HB ASN 94 HB1 ASN 94 9.500 -11.099 -4.086 735 1HD2 ASN 94 HD22 ASN 94 7.764 -7.875 -2.203 736 2HD2 ASN 94 HD21 ASN 94 9.445 -8.083 -2.091 737 H ILE 95 HN ILE 95 8.392 -12.029 -1.488 738 HA ILE 95 HA ILE 95 6.978 -10.247 0.143 739 HB ILE 95 HB ILE 95 7.317 -13.201 0.742 740 1HG1 ILE 95 HG12 ILE 95 6.757 -13.024 -1.601 741 2HG1 ILE 95 HG11 ILE 95 5.285 -13.457 -0.734 742 1HG2 ILE 95 HG21 ILE 95 5.161 -11.162 1.329 743 2HG2 ILE 95 HG23 ILE 95 4.907 -12.899 1.485 744 3HG2 ILE 95 HG22 ILE 95 6.111 -12.091 2.489 745 1HD1 ILE 95 HD11 ILE 95 4.864 -10.884 -0.635 746 2HD1 ILE 95 HD13 ILE 95 6.052 -10.804 -1.932 747 3HD1 ILE 95 HD12 ILE 95 4.567 -11.724 -2.153 748 H ILE 96 HN ILE 96 9.684 -12.373 1.044 749 HA ILE 96 HA ILE 96 9.661 -11.558 3.821 750 HB ILE 96 HB ILE 96 11.602 -13.021 2.045 751 1HG1 ILE 96 HG12 ILE 96 10.414 -13.762 4.730 752 2HG1 ILE 96 HG11 ILE 96 9.597 -14.094 3.202 753 1HG2 ILE 96 HG21 ILE 96 12.141 -11.775 4.735 754 2HG2 ILE 96 HG23 ILE 96 12.966 -13.256 4.250 755 3HG2 ILE 96 HG22 ILE 96 13.164 -11.784 3.299 756 1HD1 ILE 96 HD12 ILE 96 12.423 -15.004 3.793 757 2HD1 ILE 96 HD11 ILE 96 11.005 -16.007 4.097 758 3HD1 ILE 96 HD13 ILE 96 11.393 -15.504 2.453 759 H ALA 97 HN ALA 97 11.040 -10.268 0.881 760 HA ALA 97 HA ALA 97 13.055 -8.613 2.040 761 1HB ALA 97 HB1 ALA 97 12.706 -9.052 -0.434 762 2HB ALA 97 HB3 ALA 97 11.363 -7.914 -0.367 763 3HB ALA 97 HB2 ALA 97 13.000 -7.364 -0.016 764 H ALA 98 HN ALA 98 9.664 -7.858 1.204 765 HA ALA 98 HA ALA 98 9.789 -5.278 2.542 766 1HB ALA 98 HB1 ALA 98 8.032 -6.410 0.731 767 2HB ALA 98 HB3 ALA 98 7.112 -6.431 2.236 768 3HB ALA 98 HB2 ALA 98 7.753 -4.909 1.617 769 H ALA 99 HN ALA 99 8.161 -8.371 3.268 770 HA ALA 99 HA ALA 99 7.155 -7.577 5.769 771 1HB ALA 99 HB1 ALA 99 6.833 -9.797 4.364 772 2HB ALA 99 HB3 ALA 99 8.152 -10.384 5.377 773 3HB ALA 99 HB2 ALA 99 6.652 -9.826 6.119 774 H GLN 100 HN GLN 100 10.402 -8.548 4.784 775 HA GLN 100 HA GLN 100 11.498 -9.175 7.342 776 1HB GLN 100 HB2 GLN 100 13.028 -9.507 5.571 777 2HB GLN 100 HB1 GLN 100 12.662 -7.942 4.842 778 1HG GLN 100 HG2 GLN 100 13.948 -6.766 6.407 779 2HG GLN 100 HG1 GLN 100 13.875 -8.072 7.590 780 1HE2 GLN 100 HE22 GLN 100 16.239 -9.066 4.401 781 2HE2 GLN 100 HE21 GLN 100 14.630 -8.587 4.149 782 H ALA 101 HN ALA 101 10.625 -6.236 5.720 783 HA ALA 101 HA ALA 101 11.619 -4.485 7.874 784 1HB ALA 101 HB2 ALA 101 11.430 -3.864 5.358 785 2HB ALA 101 HB1 ALA 101 9.699 -3.750 5.656 786 3HB ALA 101 HB3 ALA 101 10.809 -2.688 6.515 787 H GLY 102 HN GLY 102 8.920 -6.312 6.911 788 1HA GLY 102 HA2 GLY 102 6.893 -6.816 7.907 789 2HA GLY 102 HA1 GLY 102 7.599 -6.189 9.380 790 H ALA 103 HN ALA 103 5.917 -5.111 6.375 791 HA ALA 103 HA ALA 103 5.308 -2.554 7.748 792 1HB ALA 103 HB2 ALA 103 4.538 -3.802 5.103 793 2HB ALA 103 HB1 ALA 103 3.919 -2.245 5.635 794 3HB ALA 103 HB3 ALA 103 5.617 -2.458 5.366 795 H SER 104 HN SER 104 2.789 -3.498 5.891 796 HA SER 104 HA SER 104 1.085 -4.169 8.244 797 1HB SER 104 HB2 SER 104 0.041 -3.906 5.440 798 2HB SER 104 HB1 SER 104 -0.806 -3.657 6.957 799 HG SER 104 HG SER 104 1.419 -2.071 6.467 800 H GLY 105 HN GLY 105 1.830 -5.263 5.022 801 1HA GLY 105 HA2 GLY 105 2.253 -7.982 5.505 802 2HA GLY 105 HA1 GLY 105 0.533 -7.818 5.199 803 OH TYR 106 OH TYR 106 1.367 -13.582 -2.267 804 H TYR 106 HN TYR 106 0.889 -9.060 3.215 805 HA TYR 106 HA TYR 106 1.681 -7.278 0.976 806 1HB TYR 106 HB2 TYR 106 3.505 -8.469 0.409 807 2HB TYR 106 HB1 TYR 106 3.292 -9.458 1.853 808 HD1 TYR 106 HD1 TYR 106 2.188 -9.130 -1.732 809 HD2 TYR 106 HD2 TYR 106 2.572 -11.701 1.692 810 HE1 TYR 106 HE1 TYR 106 1.563 -11.089 -3.113 811 HE2 TYR 106 HE2 TYR 106 1.948 -13.649 0.306 812 HH TYR 106 HH TYR 106 1.361 -13.304 -3.185 813 H VAL 107 HN VAL 107 0.139 -7.355 -0.547 814 HA VAL 107 HA VAL 107 -1.676 -9.737 -0.628 815 HB VAL 107 HB VAL 107 -2.761 -7.568 0.038 816 1HG1 VAL 107 HG13 VAL 107 -1.089 -6.422 -1.738 817 2HG1 VAL 107 HG12 VAL 107 -2.503 -6.610 -2.770 818 3HG1 VAL 107 HG11 VAL 107 -2.620 -5.682 -1.276 819 1HG2 VAL 107 HG22 VAL 107 -4.016 -9.361 -1.127 820 2HG2 VAL 107 HG21 VAL 107 -4.599 -7.766 -1.597 821 3HG2 VAL 107 HG23 VAL 107 -3.547 -8.673 -2.680 822 H VAL 108 HN VAL 108 -1.949 -10.704 -2.649 823 HA VAL 108 HA VAL 108 0.029 -9.952 -4.665 824 HB VAL 108 HB VAL 108 -2.046 -11.894 -5.464 825 1HG1 VAL 108 HG12 VAL 108 0.141 -11.587 -6.595 826 2HG1 VAL 108 HG11 VAL 108 0.959 -12.104 -5.121 827 3HG1 VAL 108 HG13 VAL 108 -0.068 -13.235 -6.001 828 1HG2 VAL 108 HG21 VAL 108 -0.459 -12.258 -2.916 829 2HG2 VAL 108 HG23 VAL 108 -2.196 -12.441 -3.146 830 3HG2 VAL 108 HG22 VAL 108 -1.085 -13.624 -3.837 831 H LYS 109 HN LYS 109 -0.574 -9.318 -6.873 832 HA LYS 109 HA LYS 109 -3.339 -8.206 -7.139 833 1HB LYS 109 HB2 LYS 109 -2.396 -6.224 -8.225 834 2HB LYS 109 HB1 LYS 109 -1.641 -6.435 -6.655 835 1HG LYS 109 HG2 LYS 109 0.318 -6.280 -7.782 836 2HG LYS 109 HG1 LYS 109 -0.009 -7.933 -8.293 837 1HD LYS 109 HD2 LYS 109 -1.349 -6.912 -10.224 838 2HD LYS 109 HD1 LYS 109 -0.605 -5.375 -9.784 839 1HE LYS 109 HE2 LYS 109 0.951 -6.119 -11.319 840 2HE LYS 109 HE1 LYS 109 1.617 -6.843 -9.855 841 1HZ LYS 109 HZ1 LYS 109 -0.339 -8.259 -11.562 842 2HZ LYS 109 HZ3 LYS 109 1.331 -8.354 -11.841 843 3HZ LYS 109 HZ2 LYS 109 0.684 -8.910 -10.372 844 HA PRO 110 HA PRO 110 -4.346 -6.997 -9.005 845 1HB PRO 110 HB2 PRO 110 -6.338 -8.286 -10.602 846 2HB PRO 110 HB1 PRO 110 -5.438 -6.813 -10.983 847 1HG PRO 110 HG2 PRO 110 -5.179 -9.346 -12.263 848 2HG PRO 110 HG1 PRO 110 -4.159 -7.922 -12.509 849 1HD PRO 110 HD2 PRO 110 -3.552 -10.388 -11.041 850 2HD PRO 110 HD1 PRO 110 -2.449 -9.099 -11.566 851 H PHE 111 HN PHE 111 -5.689 -7.116 -7.212 852 HA PHE 111 HA PHE 111 -6.698 -9.805 -6.413 853 1HB PHE 111 HB2 PHE 111 -7.348 -8.440 -4.281 854 2HB PHE 111 HB1 PHE 111 -5.664 -8.864 -4.530 855 HD1 PHE 111 HD1 PHE 111 -8.128 -6.132 -5.351 856 HD2 PHE 111 HD2 PHE 111 -4.082 -7.178 -4.386 857 HE1 PHE 111 HE1 PHE 111 -7.491 -3.740 -5.365 858 HE2 PHE 111 HE2 PHE 111 -3.451 -4.787 -4.385 859 HZ PHE 111 HZ PHE 111 -5.160 -3.064 -4.870 860 H THR 112 HN THR 112 -8.923 -9.885 -5.559 861 HA THR 112 HA THR 112 -10.732 -8.212 -7.219 862 HB THR 112 HB THR 112 -11.872 -10.296 -5.449 863 HG1 THR 112 HG1 THR 112 -9.990 -10.828 -7.478 864 1HG2 THR 112 HG22 THR 112 -13.177 -9.076 -7.151 865 2HG2 THR 112 HG21 THR 112 -12.107 -9.692 -8.409 866 3HG2 THR 112 HG23 THR 112 -13.131 -10.804 -7.501 867 H ALA 113 HN ALA 113 -12.332 -6.892 -6.190 868 HA ALA 113 HA ALA 113 -11.626 -5.566 -3.846 869 1HB ALA 113 HB2 ALA 113 -13.584 -5.120 -5.558 870 2HB ALA 113 HB1 ALA 113 -14.543 -6.045 -4.403 871 3HB ALA 113 HB3 ALA 113 -13.741 -4.560 -3.892 872 H ALA 114 HN ALA 114 -13.310 -8.632 -4.179 873 HA ALA 114 HA ALA 114 -14.054 -8.775 -1.375 874 1HB ALA 114 HB1 ALA 114 -14.658 -10.270 -3.648 875 2HB ALA 114 HB3 ALA 114 -13.634 -11.355 -2.708 876 3HB ALA 114 HB2 ALA 114 -15.106 -10.694 -1.996 877 H THR 115 HN THR 115 -11.266 -9.680 -3.318 878 HA THR 115 HA THR 115 -9.963 -11.142 -1.178 879 HB THR 115 HB THR 115 -8.989 -9.953 -3.773 880 HG1 THR 115 HG1 THR 115 -9.879 -11.830 -4.215 881 1HG2 THR 115 HG22 THR 115 -7.421 -11.245 -1.540 882 2HG2 THR 115 HG21 THR 115 -6.843 -11.244 -3.206 883 3HG2 THR 115 HG23 THR 115 -7.086 -9.719 -2.355 884 H LEU 116 HN LEU 116 -9.060 -7.927 -2.671 885 HA LEU 116 HA LEU 116 -7.387 -7.066 -0.603 886 1HB LEU 116 HB2 LEU 116 -8.273 -5.849 -2.798 887 2HB LEU 116 HB1 LEU 116 -9.400 -5.124 -1.657 888 HG LEU 116 HG LEU 116 -7.394 -4.552 -0.198 889 1HD1 LEU 116 HD12 LEU 116 -6.059 -6.061 -2.245 890 2HD1 LEU 116 HD11 LEU 116 -5.450 -4.407 -2.269 891 3HD1 LEU 116 HD13 LEU 116 -5.379 -5.350 -0.782 892 1HD2 LEU 116 HD22 LEU 116 -8.596 -2.968 -1.832 893 2HD2 LEU 116 HD21 LEU 116 -6.964 -2.515 -1.349 894 3HD2 LEU 116 HD23 LEU 116 -7.242 -3.253 -2.923 895 H GLU 117 HN GLU 117 -10.956 -6.955 -0.699 896 HA GLU 117 HA GLU 117 -11.279 -5.555 1.755 897 1HB GLU 117 HB2 GLU 117 -13.139 -5.766 0.214 898 2HB GLU 117 HB1 GLU 117 -13.101 -7.523 0.360 899 1HG GLU 117 HG2 GLU 117 -13.810 -7.444 2.644 900 2HG GLU 117 HG1 GLU 117 -13.544 -5.702 2.734 901 H GLU 118 HN GLU 118 -11.641 -9.036 1.107 902 HA GLU 118 HA GLU 118 -12.002 -10.011 3.667 903 1HB GLU 118 HB2 GLU 118 -11.861 -11.381 1.557 904 2HB GLU 118 HB1 GLU 118 -10.104 -11.255 1.656 905 1HG GLU 118 HG2 GLU 118 -10.749 -13.349 2.677 906 2HG GLU 118 HG1 GLU 118 -10.243 -12.259 3.968 907 H LYS 119 HN LYS 119 -8.840 -9.288 2.162 908 HA LYS 119 HA LYS 119 -7.299 -9.940 4.493 909 1HB LYS 119 HB2 LYS 119 -6.695 -8.082 2.174 910 2HB LYS 119 HB1 LYS 119 -5.511 -8.595 3.376 911 1HG LYS 119 HG2 LYS 119 -7.037 -10.808 2.167 912 2HG LYS 119 HG1 LYS 119 -6.018 -9.928 1.028 913 1HD LYS 119 HD2 LYS 119 -4.955 -10.845 3.701 914 2HD LYS 119 HD1 LYS 119 -4.945 -11.909 2.294 915 1HE LYS 119 HE2 LYS 119 -3.267 -10.760 1.281 916 2HE LYS 119 HE1 LYS 119 -3.917 -9.195 1.768 917 1HZ LYS 119 HZ1 LYS 119 -3.147 -10.203 4.118 918 2HZ LYS 119 HZ3 LYS 119 -1.981 -10.887 3.095 919 3HZ LYS 119 HZ2 LYS 119 -2.173 -9.201 3.152 920 H LEU 120 HN LEU 120 -8.517 -6.821 3.244 921 HA LEU 120 HA LEU 120 -7.448 -5.148 5.251 922 1HB LEU 120 HB2 LEU 120 -8.976 -4.698 3.082 923 2HB LEU 120 HB1 LEU 120 -10.223 -4.587 4.322 924 HG LEU 120 HG LEU 120 -8.460 -3.055 5.544 925 1HD1 LEU 120 HD12 LEU 120 -6.825 -3.647 3.565 926 2HD1 LEU 120 HD11 LEU 120 -7.715 -2.386 2.712 927 3HD1 LEU 120 HD13 LEU 120 -6.862 -2.005 4.206 928 1HD2 LEU 120 HD23 LEU 120 -10.062 -2.185 3.117 929 2HD2 LEU 120 HD22 LEU 120 -10.651 -2.283 4.776 930 3HD2 LEU 120 HD21 LEU 120 -9.427 -1.089 4.345 931 H ASN 121 HN ASN 121 -10.428 -7.079 5.255 932 HA ASN 121 HA ASN 121 -11.385 -6.091 7.780 933 1HB ASN 121 HB2 ASN 121 -12.210 -8.017 5.819 934 2HB ASN 121 HB1 ASN 121 -12.273 -8.767 7.415 935 1HD2 ASN 121 HD22 ASN 121 -14.717 -6.383 8.654 936 2HD2 ASN 121 HD21 ASN 121 -13.339 -7.236 9.164 937 H LYS 122 HN LYS 122 -9.525 -9.000 6.905 938 HA LYS 122 HA LYS 122 -9.301 -9.916 9.639 939 1HB LYS 122 HB2 LYS 122 -7.608 -10.581 7.211 940 2HB LYS 122 HB1 LYS 122 -7.589 -11.461 8.739 941 1HG LYS 122 HG2 LYS 122 -10.302 -11.296 8.026 942 2HG LYS 122 HG1 LYS 122 -9.454 -11.683 6.528 943 1HD LYS 122 HD2 LYS 122 -9.971 -13.774 7.595 944 2HD LYS 122 HD1 LYS 122 -8.241 -13.507 7.803 945 1HE LYS 122 HE2 LYS 122 -8.565 -13.772 10.019 946 2HE LYS 122 HE1 LYS 122 -9.416 -12.228 9.998 947 1HZ LYS 122 HZ3 LYS 122 -11.063 -14.351 9.053 948 2HZ LYS 122 HZ2 LYS 122 -10.487 -14.671 10.618 949 3HZ LYS 122 HZ1 LYS 122 -11.351 -13.242 10.304 950 H ILE 123 HN ILE 123 -7.643 -7.529 7.776 951 HA ILE 123 HA ILE 123 -5.267 -7.556 9.531 952 HB ILE 123 HB ILE 123 -6.105 -5.999 7.096 953 1HG1 ILE 123 HG12 ILE 123 -3.489 -7.375 7.738 954 2HG1 ILE 123 HG11 ILE 123 -4.868 -8.251 7.071 955 1HG2 ILE 123 HG23 ILE 123 -4.064 -5.242 9.177 956 2HG2 ILE 123 HG22 ILE 123 -3.813 -4.808 7.486 957 3HG2 ILE 123 HG21 ILE 123 -5.232 -4.214 8.348 958 1HD1 ILE 123 HD13 ILE 123 -3.780 -5.746 5.776 959 2HD1 ILE 123 HD12 ILE 123 -3.167 -7.351 5.376 960 3HD1 ILE 123 HD11 ILE 123 -4.859 -6.953 5.076 961 H PHE 124 HN PHE 124 -8.102 -5.515 8.879 962 HA PHE 124 HA PHE 124 -7.335 -3.485 10.804 963 1HB PHE 124 HB2 PHE 124 -9.730 -4.079 9.133 964 2HB PHE 124 HB1 PHE 124 -9.963 -3.054 10.550 965 HD1 PHE 124 HD1 PHE 124 -7.557 -3.492 7.701 966 HD2 PHE 124 HD2 PHE 124 -9.585 -0.761 10.321 967 HE1 PHE 124 HE1 PHE 124 -6.561 -1.582 6.483 968 HE2 PHE 124 HE2 PHE 124 -8.585 1.151 9.099 969 HZ PHE 124 HZ PHE 124 -7.081 0.738 7.176 970 H GLU 125 HN GLU 125 -9.302 -6.425 10.925 971 HA GLU 125 HA GLU 125 -10.640 -6.026 13.358 972 1HB GLU 125 HB2 GLU 125 -9.552 -8.418 11.931 973 2HB GLU 125 HB1 GLU 125 -10.037 -8.624 13.612 974 1HG GLU 125 HG2 GLU 125 -11.824 -7.336 11.539 975 2HG GLU 125 HG1 GLU 125 -11.865 -9.063 11.898 976 H LYS 126 HN LYS 126 -7.263 -6.573 12.712 977 HA LYS 126 HA LYS 126 -6.651 -6.946 15.582 978 1HB LYS 126 HB2 LYS 126 -4.668 -6.638 13.316 979 2HB LYS 126 HB1 LYS 126 -4.412 -7.403 14.885 980 1HG LYS 126 HG2 LYS 126 -6.172 -8.408 12.633 981 2HG LYS 126 HG1 LYS 126 -4.702 -9.162 13.253 982 1HD LYS 126 HD2 LYS 126 -5.940 -9.220 15.530 983 2HD LYS 126 HD1 LYS 126 -7.400 -8.937 14.581 984 1HE LYS 126 HE2 LYS 126 -6.871 -10.930 13.202 985 2HE LYS 126 HE1 LYS 126 -5.448 -11.226 14.200 986 1HZ LYS 126 HZ3 LYS 126 -8.211 -11.068 15.268 987 2HZ LYS 126 HZ2 LYS 126 -7.441 -12.524 14.852 988 3HZ LYS 126 HZ1 LYS 126 -6.816 -11.557 16.101 989 H LEU 127 HN LEU 127 -6.798 -4.475 13.167 990 HA LEU 127 HA LEU 127 -5.076 -2.608 14.639 991 1HB LEU 127 HB2 LEU 127 -5.516 -2.692 12.049 992 2HB LEU 127 HB1 LEU 127 -6.986 -1.807 12.448 993 HG LEU 127 HG LEU 127 -5.563 -0.133 13.684 994 1HD1 LEU 127 HD11 LEU 127 -3.506 -2.081 12.987 995 2HD1 LEU 127 HD13 LEU 127 -3.095 -0.466 12.411 996 3HD1 LEU 127 HD12 LEU 127 -3.432 -0.733 14.120 997 1HD2 LEU 127 HD21 LEU 127 -5.038 -0.577 10.731 998 2HD2 LEU 127 HD23 LEU 127 -6.353 0.363 11.438 999 3HD2 LEU 127 HD22 LEU 127 -4.688 0.925 11.587 1000 H GLY 128 HN GLY 128 -8.398 -3.554 14.588 1001 1HA GLY 128 HA2 GLY 128 -10.304 -2.649 15.634 1002 2HA GLY 128 HA1 GLY 128 -9.168 -2.312 16.940 1003 H MET 129 HN MET 129 -10.403 -0.956 13.881 1004 HA MET 129 HA MET 129 -9.450 1.728 14.676 1005 1HB MET 129 HB2 MET 129 -10.285 0.425 12.203 1006 2HB MET 129 HB1 MET 129 -11.044 2.004 12.404 1007 1HG MET 129 HG2 MET 129 -8.071 1.504 12.711 1008 2HG MET 129 HG1 MET 129 -8.824 2.107 11.235 1009 1HE MET 129 HE1 MET 129 -6.709 3.412 12.017 1010 2HE MET 129 HE3 MET 129 -7.548 4.784 11.281 1011 3HE MET 129 HE2 MET 129 -6.807 4.949 12.870 No H/Q in entry = 1011
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