NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588244 | 2mzy | 25508 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.068 1.000 -1.647 3 HB2 MET 1 2HB MET 1 3.560 -1.289 -0.371 4 HB3 MET 1 3HB MET 1 4.035 -0.592 -1.914 5 HG2 MET 1 2HG MET 1 4.389 1.560 -0.869 6 HG3 MET 1 3HG MET 1 3.828 0.925 0.676 7 HE1 MET 1 3HE MET 1 6.598 1.120 -1.949 8 HE2 MET 1 1HE MET 1 6.869 2.245 -0.616 9 HE3 MET 1 2HE MET 1 8.008 0.930 -0.905 10 H ALA 2 H ALA 2 2.369 0.014 -3.761 11 HA ALA 2 HA ALA 2 0.282 -1.933 -4.299 12 HB1 ALA 2 1HB ALA 2 2.017 -0.264 -6.108 13 HB2 ALA 2 2HB ALA 2 0.828 -1.429 -6.691 14 HB3 ALA 2 3HB ALA 2 0.307 -0.038 -5.742 15 H ARG 3 H ARG 3 3.488 -1.619 -5.802 16 HA ARG 3 HA ARG 3 3.810 -4.532 -5.496 17 HB2 ARG 3 2HB ARG 3 3.734 -3.121 -7.831 18 HB3 ARG 3 3HB ARG 3 5.463 -3.171 -7.516 19 HG2 ARG 3 2HG ARG 3 4.879 -5.741 -7.080 20 HG3 ARG 3 3HG ARG 3 3.597 -5.345 -8.226 21 HD2 ARG 3 2HD ARG 3 5.197 -4.608 -9.853 22 HD3 ARG 3 3HD ARG 3 6.516 -4.763 -8.693 23 HE ARG 3 HE ARG 3 5.086 -7.213 -9.193 24 HH11 ARG 3 1HH1 ARG 3 7.707 -5.150 -10.191 25 HH12 ARG 3 2HH1 ARG 3 8.591 -6.425 -10.961 26 HH21 ARG 3 1HH2 ARG 3 6.241 -8.901 -10.204 27 HH22 ARG 3 2HH2 ARG 3 7.755 -8.558 -10.969 28 H MET 4 H MET 4 6.446 -4.811 -6.131 29 HA MET 4 HA MET 4 7.890 -3.136 -4.196 30 HB2 MET 4 2HB MET 4 8.284 -6.119 -4.414 31 HB3 MET 4 3HB MET 4 8.964 -5.031 -3.211 32 HG2 MET 4 2HG MET 4 6.417 -4.576 -2.698 33 HG3 MET 4 3HG MET 4 6.236 -6.176 -3.413 34 HE1 MET 4 3HE MET 4 6.494 -5.245 0.600 35 HE2 MET 4 1HE MET 4 8.065 -4.559 0.186 36 HE3 MET 4 2HE MET 4 6.632 -4.098 -0.733 37 H ILE 5 H ILE 5 9.110 -2.010 -5.626 38 HA ILE 5 HA ILE 5 11.067 -3.547 -7.168 39 HB ILE 5 HB ILE 5 10.790 -2.270 -9.158 40 HG12 ILE 5 2HG1 ILE 5 8.473 -0.723 -8.770 41 HG13 ILE 5 3HG1 ILE 5 9.496 -0.403 -7.373 42 HG21 ILE 5 1HG2 ILE 5 9.270 -4.148 -8.930 43 HG22 ILE 5 2HG2 ILE 5 8.086 -3.116 -8.129 44 HG23 ILE 5 3HG2 ILE 5 8.495 -2.839 -9.822 45 HD11 ILE 5 3HD1 ILE 5 11.333 0.200 -8.864 46 HD12 ILE 5 1HD1 ILE 5 10.299 -0.110 -10.258 47 HD13 ILE 5 2HD1 ILE 5 9.907 1.199 -9.142 48 H HIS 6 H HIS 6 12.789 -2.015 -8.079 49 HA HIS 6 HA HIS 6 13.492 -0.109 -5.957 50 HB2 HIS 6 2HB HIS 6 15.823 -0.334 -6.954 51 HB3 HIS 6 3HB HIS 6 15.176 -1.766 -6.158 52 HD1 HIS 6 HD1 HIS 6 14.410 -3.737 -7.728 53 HD2 HIS 6 HD2 HIS 6 16.393 -0.626 -9.639 54 HE1 HIS 6 HE1 HIS 6 15.060 -4.639 -9.983 55 H CYS 7 H CYS 7 12.564 1.786 -6.590 56 HA CYS 7 HA CYS 7 12.172 2.804 -9.092 57 HB2 CYS 7 2HB CYS 7 12.544 5.101 -7.940 58 HB3 CYS 7 3HB CYS 7 11.243 4.065 -7.366 59 HG CYS 7 HG CYS 7 12.274 5.119 -5.084 60 H ALA 8 H ALA 8 13.629 2.753 -10.689 61 HA ALA 8 HA ALA 8 16.431 3.152 -10.261 62 HB1 ALA 8 1HB ALA 8 16.606 2.170 -12.245 63 HB2 ALA 8 2HB ALA 8 14.846 2.053 -12.280 64 HB3 ALA 8 3HB ALA 8 15.652 3.437 -13.018 65 H LYS 9 H LYS 9 13.792 5.236 -10.699 66 HA LYS 9 HA LYS 9 15.141 7.359 -12.055 67 HB2 LYS 9 2HB LYS 9 12.582 6.889 -11.793 68 HB3 LYS 9 3HB LYS 9 12.754 7.791 -10.293 69 HG2 LYS 9 2HG LYS 9 13.986 9.471 -11.997 70 HG3 LYS 9 3HG LYS 9 12.814 8.721 -13.083 71 HD2 LYS 9 2HD LYS 9 11.063 9.726 -12.085 72 HD3 LYS 9 3HD LYS 9 11.737 9.516 -10.468 73 HE2 LYS 9 2HE LYS 9 12.676 11.574 -12.462 74 HE3 LYS 9 3HE LYS 9 11.521 11.892 -11.169 75 HZ1 LYS 9 3HZ LYS 9 13.956 10.643 -10.275 76 HZ2 LYS 9 1HZ LYS 9 13.137 11.987 -9.654 77 HZ3 LYS 9 2HZ LYS 9 14.195 12.170 -10.961 78 H LEU 10 H LEU 10 15.384 6.142 -8.950 79 HA LEU 10 HA LEU 10 16.715 8.594 -8.049 80 HB2 LEU 10 2HB LEU 10 15.286 7.067 -5.971 81 HB3 LEU 10 3HB LEU 10 15.548 8.803 -6.125 82 HG LEU 10 HG LEU 10 13.527 7.270 -7.752 83 HD11 LEU 10 1HD1 LEU 10 13.259 7.378 -5.149 84 HD12 LEU 10 2HD1 LEU 10 11.888 7.706 -6.209 85 HD13 LEU 10 3HD1 LEU 10 12.776 9.043 -5.478 86 HD21 LEU 10 3HD2 LEU 10 12.915 10.016 -7.359 87 HD22 LEU 10 1HD2 LEU 10 13.282 9.172 -8.863 88 HD23 LEU 10 2HD2 LEU 10 14.584 9.896 -7.919 89 H GLY 11 H GLY 11 16.092 5.174 -7.255 90 HA2 GLY 11 2HA GLY 11 18.061 3.683 -7.326 91 HA3 GLY 11 3HA GLY 11 18.943 4.960 -6.502 92 H LYS 12 H LYS 12 15.656 4.144 -5.661 93 HA LYS 12 HA LYS 12 16.632 2.829 -3.214 94 HB2 LYS 12 2HB LYS 12 14.226 4.644 -3.298 95 HB3 LYS 12 3HB LYS 12 15.035 3.991 -1.880 96 HG2 LYS 12 2HG LYS 12 16.699 5.536 -1.942 97 HG3 LYS 12 3HG LYS 12 16.631 5.703 -3.698 98 HD2 LYS 12 2HD LYS 12 15.844 7.727 -2.552 99 HD3 LYS 12 3HD LYS 12 14.569 6.980 -3.517 100 HE2 LYS 12 2HE LYS 12 13.751 7.715 -1.324 101 HE3 LYS 12 3HE LYS 12 13.622 5.968 -1.524 102 HZ1 LYS 12 3HZ LYS 12 14.656 7.093 0.630 103 HZ2 LYS 12 1HZ LYS 12 16.067 6.962 -0.295 104 HZ3 LYS 12 2HZ LYS 12 15.160 5.580 0.062 105 H GLU 13 H GLU 13 14.152 2.254 -2.098 106 HA GLU 13 HA GLU 13 13.094 0.319 -4.047 107 HB2 GLU 13 2HB GLU 13 13.577 0.200 -1.111 108 HB3 GLU 13 3HB GLU 13 12.201 -0.690 -1.748 109 HG2 GLU 13 2HG GLU 13 13.664 -1.912 -3.254 110 HG3 GLU 13 3HG GLU 13 15.051 -1.000 -2.663 111 H ALA 14 H ALA 14 11.289 1.091 -4.936 112 HA ALA 14 HA ALA 14 9.264 2.274 -3.150 113 HB1 ALA 14 1HB ALA 14 8.496 3.507 -5.252 114 HB2 ALA 14 2HB ALA 14 9.976 4.069 -4.473 115 HB3 ALA 14 3HB ALA 14 10.068 3.077 -5.928 116 H GLU 15 H GLU 15 7.075 2.331 -4.621 117 HA GLU 15 HA GLU 15 6.501 -0.490 -5.062 118 HB2 GLU 15 2HB GLU 15 4.171 0.138 -4.979 119 HB3 GLU 15 3HB GLU 15 5.014 0.882 -3.627 120 HG2 GLU 15 2HG GLU 15 5.215 2.887 -5.349 121 HG3 GLU 15 3HG GLU 15 3.766 2.126 -6.006 122 H GLY 16 H GLY 16 6.043 -1.391 -6.992 123 HA2 GLY 16 2HA GLY 16 6.471 0.250 -9.361 124 HA3 GLY 16 3HA GLY 16 6.389 -1.504 -9.309 125 H LEU 17 H LEU 17 5.092 -0.125 -11.290 126 HA LEU 17 HA LEU 17 2.413 0.532 -10.733 127 HB2 LEU 17 2HB LEU 17 3.967 -0.146 -13.177 128 HB3 LEU 17 3HB LEU 17 2.207 -0.151 -13.278 129 HG LEU 17 HG LEU 17 2.102 2.175 -12.729 130 HD11 LEU 17 1HD1 LEU 17 5.019 1.856 -12.109 131 HD12 LEU 17 2HD1 LEU 17 3.734 2.506 -11.092 132 HD13 LEU 17 3HD1 LEU 17 4.316 3.432 -12.475 133 HD21 LEU 17 3HD2 LEU 17 3.698 1.195 -14.950 134 HD22 LEU 17 1HD2 LEU 17 4.078 2.865 -14.526 135 HD23 LEU 17 2HD2 LEU 17 2.420 2.411 -14.923 136 H ASP 18 H ASP 18 3.993 -2.505 -11.505 137 HA ASP 18 HA ASP 18 3.291 -4.666 -11.386 138 HB2 ASP 18 2HB ASP 18 2.392 -3.768 -9.158 139 HB3 ASP 18 3HB ASP 18 0.822 -3.698 -9.955 140 H PHE 19 H PHE 19 2.518 -2.964 -13.616 141 HA PHE 19 HA PHE 19 0.582 -4.725 -14.806 142 HB2 PHE 19 2HB PHE 19 -0.138 -1.935 -14.017 143 HB3 PHE 19 3HB PHE 19 -0.779 -2.576 -15.526 144 HD1 PHE 19 HD2 PHE 19 -1.491 -5.258 -15.046 145 HD2 PHE 19 HD1 PHE 19 -1.721 -1.959 -12.367 146 HE1 PHE 19 HE2 PHE 19 -3.281 -6.398 -13.801 147 HE2 PHE 19 HE1 PHE 19 -3.511 -3.094 -11.117 148 HZ PHE 19 HZ PHE 19 -4.294 -5.316 -11.835 149 HA PRO 20 HA PRO 20 2.818 -3.707 -18.441 150 HB2 PRO 20 2HB PRO 20 0.930 -4.101 -20.352 151 HB3 PRO 20 3HB PRO 20 1.696 -5.428 -19.470 152 HG2 PRO 20 2HG PRO 20 -0.967 -4.138 -19.014 153 HG3 PRO 20 3HG PRO 20 -0.538 -5.859 -18.991 154 HD2 PRO 20 2HD PRO 20 -0.839 -4.402 -16.728 155 HD3 PRO 20 3HD PRO 20 0.313 -5.747 -16.851 156 HA PRO 21 HA PRO 21 1.657 0.641 -18.824 157 HB2 PRO 21 2HB PRO 21 4.055 1.423 -19.828 158 HB3 PRO 21 3HB PRO 21 3.778 1.153 -18.104 159 HG2 PRO 21 2HG PRO 21 5.044 -0.657 -20.125 160 HG3 PRO 21 3HG PRO 21 5.552 -0.307 -18.462 161 HD2 PRO 21 2HD PRO 21 4.203 -2.557 -19.129 162 HD3 PRO 21 3HD PRO 21 4.017 -1.765 -17.552 163 H LEU 22 H LEU 22 3.031 -1.489 -21.255 164 HA LEU 22 HA LEU 22 1.347 -0.291 -23.280 165 HB2 LEU 22 2HB LEU 22 4.285 0.048 -23.206 166 HB3 LEU 22 3HB LEU 22 3.574 -0.358 -24.767 167 HG LEU 22 HG LEU 22 1.983 1.707 -23.933 168 HD11 LEU 22 1HD1 LEU 22 4.630 2.871 -23.414 169 HD12 LEU 22 2HD1 LEU 22 3.998 1.836 -22.133 170 HD13 LEU 22 3HD1 LEU 22 3.064 3.227 -22.684 171 HD21 LEU 22 3HD2 LEU 22 4.017 2.915 -25.384 172 HD22 LEU 22 1HD2 LEU 22 2.569 2.146 -26.034 173 HD23 LEU 22 2HD2 LEU 22 4.065 1.224 -25.885 174 HA PRO 23 HA PRO 23 1.207 -4.374 -24.881 175 HB2 PRO 23 2HB PRO 23 1.056 -3.956 -27.559 176 HB3 PRO 23 3HB PRO 23 -0.281 -3.608 -26.456 177 HG2 PRO 23 2HG PRO 23 1.734 -1.737 -27.639 178 HG3 PRO 23 3HG PRO 23 -0.015 -1.519 -27.441 179 HD2 PRO 23 2HD PRO 23 1.791 -0.412 -25.755 180 HD3 PRO 23 3HD PRO 23 0.182 -0.938 -25.220 181 H GLY 24 H GLY 24 3.090 -5.458 -24.508 182 HA2 GLY 24 2HA GLY 24 4.715 -6.476 -26.325 183 HA3 GLY 24 3HA GLY 24 5.431 -4.879 -26.159 184 H GLU 25 H GLU 25 7.115 -6.800 -25.630 185 HA GLU 25 HA GLU 25 7.037 -7.718 -22.916 186 HB2 GLU 25 2HB GLU 25 9.287 -7.704 -24.935 187 HB3 GLU 25 3HB GLU 25 9.341 -8.518 -23.378 188 HG2 GLU 25 2HG GLU 25 7.559 -9.996 -24.035 189 HG3 GLU 25 3HG GLU 25 7.353 -9.126 -25.554 190 H LEU 26 H LEU 26 8.306 -4.948 -24.576 191 HA LEU 26 HA LEU 26 10.293 -4.095 -22.841 192 HB2 LEU 26 2HB LEU 26 9.303 -3.120 -25.096 193 HB3 LEU 26 3HB LEU 26 8.435 -2.072 -23.976 194 HG LEU 26 HG LEU 26 11.405 -2.274 -24.409 195 HD11 LEU 26 1HD1 LEU 26 9.347 -0.107 -24.731 196 HD12 LEU 26 2HD1 LEU 26 10.395 -0.811 -25.961 197 HD13 LEU 26 3HD1 LEU 26 11.081 0.214 -24.701 198 HD21 LEU 26 3HD2 LEU 26 11.151 -2.185 -22.042 199 HD22 LEU 26 1HD2 LEU 26 9.896 -0.952 -22.163 200 HD23 LEU 26 2HD2 LEU 26 11.561 -0.559 -22.589 201 H GLY 27 H GLY 27 6.813 -3.332 -22.745 202 HA2 GLY 27 2HA GLY 27 6.769 -1.679 -20.533 203 HA3 GLY 27 3HA GLY 27 5.455 -2.756 -20.983 204 H LYS 28 H LYS 28 6.885 -5.204 -20.622 205 HA LYS 28 HA LYS 28 6.326 -5.771 -17.968 206 HB2 LYS 28 2HB LYS 28 8.350 -7.179 -19.718 207 HB3 LYS 28 3HB LYS 28 7.565 -7.847 -18.294 208 HG2 LYS 28 2HG LYS 28 5.927 -6.897 -20.604 209 HG3 LYS 28 3HG LYS 28 6.701 -8.483 -20.646 210 HD2 LYS 28 2HD LYS 28 4.985 -7.609 -18.338 211 HD3 LYS 28 3HD LYS 28 4.300 -8.367 -19.778 212 HE2 LYS 28 2HE LYS 28 6.191 -10.148 -19.309 213 HE3 LYS 28 3HE LYS 28 6.057 -9.518 -17.668 214 HZ1 LYS 28 3HZ LYS 28 4.144 -11.074 -19.222 215 HZ2 LYS 28 1HZ LYS 28 3.505 -9.883 -18.204 216 HZ3 LYS 28 2HZ LYS 28 4.476 -11.111 -17.564 217 H ARG 29 H ARG 29 9.233 -4.487 -19.411 218 HA ARG 29 HA ARG 29 10.744 -4.792 -16.942 219 HB2 ARG 29 2HB ARG 29 11.646 -3.373 -19.443 220 HB3 ARG 29 3HB ARG 29 12.643 -4.058 -18.167 221 HG2 ARG 29 2HG ARG 29 12.056 -6.291 -18.837 222 HG3 ARG 29 3HG ARG 29 10.909 -5.670 -20.025 223 HD2 ARG 29 2HD ARG 29 12.640 -4.777 -21.368 224 HD3 ARG 29 3HD ARG 29 13.839 -4.998 -20.093 225 HE ARG 29 HE ARG 29 14.084 -7.182 -20.746 226 HH11 ARG 29 1HH1 ARG 29 11.202 -5.866 -22.188 227 HH12 ARG 29 2HH1 ARG 29 10.934 -7.235 -23.216 228 HH21 ARG 29 1HH2 ARG 29 13.743 -8.989 -22.095 229 HH22 ARG 29 2HH2 ARG 29 12.380 -9.011 -23.162 230 H LEU 30 H LEU 30 8.772 -2.482 -18.501 231 HA LEU 30 HA LEU 30 9.948 -0.142 -17.337 232 HB2 LEU 30 2HB LEU 30 7.461 -0.750 -18.864 233 HB3 LEU 30 3HB LEU 30 7.571 0.772 -17.982 234 HG LEU 30 HG LEU 30 9.447 -0.140 -20.163 235 HD11 LEU 30 1HD1 LEU 30 7.622 2.211 -20.350 236 HD12 LEU 30 2HD1 LEU 30 6.997 0.595 -20.678 237 HD13 LEU 30 3HD1 LEU 30 8.335 1.233 -21.633 238 HD21 LEU 30 3HD2 LEU 30 10.713 1.224 -18.739 239 HD22 LEU 30 1HD2 LEU 30 9.357 2.308 -18.426 240 HD23 LEU 30 2HD2 LEU 30 10.143 2.312 -20.005 241 H TYR 31 H TYR 31 7.088 -2.125 -16.634 242 HA TYR 31 HA TYR 31 6.311 -0.588 -14.359 243 HB2 TYR 31 2HB TYR 31 4.530 -2.035 -14.174 244 HB3 TYR 31 3HB TYR 31 4.943 -2.270 -15.869 245 HD1 TYR 31 HD1 TYR 31 5.075 -3.752 -12.509 246 HD2 TYR 31 HD2 TYR 31 5.873 -4.353 -16.645 247 HE1 TYR 31 HE1 TYR 31 5.348 -6.162 -12.100 248 HE2 TYR 31 HE2 TYR 31 6.146 -6.764 -16.248 249 HH TYR 31 HH TYR 31 5.055 -8.380 -13.909 250 H GLU 32 H GLU 32 8.637 -3.037 -14.903 251 HA GLU 32 HA GLU 32 8.780 -3.772 -12.081 252 HB2 GLU 32 2HB GLU 32 9.968 -5.628 -12.712 253 HB3 GLU 32 3HB GLU 32 9.045 -5.351 -14.182 254 HG2 GLU 32 2HG GLU 32 10.991 -4.108 -15.098 255 HG3 GLU 32 3HG GLU 32 11.905 -4.580 -13.667 256 H SER 33 H SER 33 9.850 -1.284 -13.869 257 HA SER 33 HA SER 33 12.336 -1.032 -12.307 258 HB2 SER 33 2HB SER 33 11.783 -0.022 -15.107 259 HB3 SER 33 3HB SER 33 13.233 0.348 -14.174 260 HG SER 33 HG SER 33 12.630 -1.869 -15.606 261 H VAL 34 H VAL 34 9.598 0.651 -13.769 262 HA VAL 34 HA VAL 34 10.221 3.166 -12.526 263 HB VAL 34 HB VAL 34 8.939 2.896 -14.692 264 HG11 VAL 34 1HG1 VAL 34 6.958 1.875 -14.778 265 HG12 VAL 34 2HG1 VAL 34 7.324 1.254 -13.168 266 HG13 VAL 34 3HG1 VAL 34 6.369 2.726 -13.350 267 HG21 VAL 34 3HG2 VAL 34 7.247 4.523 -12.878 268 HG22 VAL 34 1HG2 VAL 34 8.967 4.904 -12.950 269 HG23 VAL 34 2HG2 VAL 34 7.992 4.949 -14.419 270 H SER 35 H SER 35 8.905 4.236 -10.948 271 HA SER 35 HA SER 35 7.436 2.389 -9.183 272 HB2 SER 35 2HB SER 35 8.282 3.681 -7.256 273 HB3 SER 35 3HB SER 35 9.598 2.959 -8.182 274 HG SER 35 HG SER 35 9.547 5.380 -7.509 275 H LYS 36 H LYS 36 5.999 3.627 -7.610 276 HA LYS 36 HA LYS 36 4.087 5.079 -9.050 277 HB2 LYS 36 2HB LYS 36 3.502 3.853 -7.039 278 HB3 LYS 36 3HB LYS 36 4.539 4.889 -6.067 279 HG2 LYS 36 2HG LYS 36 2.491 6.315 -7.603 280 HG3 LYS 36 3HG LYS 36 1.865 5.216 -6.371 281 HD2 LYS 36 2HD LYS 36 2.715 6.441 -4.653 282 HD3 LYS 36 3HD LYS 36 4.116 6.976 -5.585 283 HE2 LYS 36 2HE LYS 36 2.254 8.275 -6.944 284 HE3 LYS 36 3HE LYS 36 1.378 8.128 -5.422 285 HZ1 LYS 36 3HZ LYS 36 3.148 9.243 -4.285 286 HZ2 LYS 36 1HZ LYS 36 2.684 10.192 -5.606 287 HZ3 LYS 36 2HZ LYS 36 4.103 9.275 -5.681 288 H GLN 37 H GLN 37 7.000 6.085 -7.556 289 HA GLN 37 HA GLN 37 6.190 8.875 -7.386 290 HB2 GLN 37 2HB GLN 37 7.605 7.954 -5.613 291 HB3 GLN 37 3HB GLN 37 8.841 7.546 -6.796 292 HG2 GLN 37 2HG GLN 37 9.403 9.569 -5.564 293 HG3 GLN 37 3HG GLN 37 9.188 9.893 -7.283 294 HE21 GLN 37 1HE2 GLN 37 8.922 12.110 -6.627 295 HE22 GLN 37 2HE2 GLN 37 7.385 12.657 -6.060 296 H ALA 38 H ALA 38 8.535 6.890 -9.169 297 HA ALA 38 HA ALA 38 9.541 9.002 -10.762 298 HB1 ALA 38 1HB ALA 38 10.557 7.266 -12.115 299 HB2 ALA 38 2HB ALA 38 10.744 6.888 -10.402 300 HB3 ALA 38 3HB ALA 38 9.528 6.046 -11.363 301 H TRP 39 H TRP 39 6.680 7.087 -10.934 302 HA TRP 39 HA TRP 39 6.078 7.089 -13.631 303 HB2 TRP 39 2HB TRP 39 4.676 5.897 -12.089 304 HB3 TRP 39 3HB TRP 39 4.254 7.381 -11.240 305 HD1 TRP 39 HD1 TRP 39 2.164 8.664 -12.074 306 HE1 TRP 39 HE1 TRP 39 0.504 8.350 -14.016 307 HE3 TRP 39 HE3 TRP 39 4.624 5.005 -14.661 308 HZ2 TRP 39 HZ2 TRP 39 0.268 6.761 -16.337 309 HZ3 TRP 39 HZ3 TRP 39 3.613 4.142 -16.732 310 HH2 TRP 39 HH2 TRP 39 1.480 5.002 -17.550 311 H GLN 40 H GLN 40 5.475 9.638 -11.237 312 HA GLN 40 HA GLN 40 4.055 11.412 -12.825 313 HB2 GLN 40 2HB GLN 40 5.917 11.790 -10.502 314 HB3 GLN 40 3HB GLN 40 5.227 13.185 -11.322 315 HG2 GLN 40 2HG GLN 40 3.624 10.951 -10.100 316 HG3 GLN 40 3HG GLN 40 3.968 12.492 -9.317 317 HE21 GLN 40 1HE2 GLN 40 1.470 11.099 -10.336 318 HE22 GLN 40 2HE2 GLN 40 0.669 12.314 -11.266 319 H ASP 41 H ASP 41 7.522 10.854 -12.623 320 HA ASP 41 HA ASP 41 8.288 13.088 -14.203 321 HB2 ASP 41 2HB ASP 41 9.698 11.534 -12.615 322 HB3 ASP 41 3HB ASP 41 9.941 10.596 -14.086 323 H TRP 42 H TRP 42 7.460 9.748 -14.927 324 HA TRP 42 HA TRP 42 8.331 9.642 -17.581 325 HB2 TRP 42 2HB TRP 42 7.410 7.761 -16.060 326 HB3 TRP 42 3HB TRP 42 5.827 8.262 -16.648 327 HD1 TRP 42 HD1 TRP 42 9.167 7.684 -18.557 328 HE1 TRP 42 HE1 TRP 42 8.683 6.092 -20.520 329 HE3 TRP 42 HE3 TRP 42 4.203 6.821 -17.696 330 HZ2 TRP 42 HZ2 TRP 42 6.487 4.660 -21.566 331 HZ3 TRP 42 HZ3 TRP 42 2.983 5.328 -19.225 332 HH2 TRP 42 HH2 TRP 42 4.103 4.272 -21.120 333 H LEU 43 H LEU 43 5.356 10.892 -16.176 334 HA LEU 43 HA LEU 43 3.999 11.298 -18.639 335 HB2 LEU 43 2HB LEU 43 3.562 12.801 -16.068 336 HB3 LEU 43 3HB LEU 43 2.409 12.556 -17.378 337 HG LEU 43 HG LEU 43 3.478 10.318 -15.667 338 HD11 LEU 43 1HD1 LEU 43 0.782 10.804 -15.074 339 HD12 LEU 43 2HD1 LEU 43 1.591 12.369 -14.994 340 HD13 LEU 43 3HD1 LEU 43 2.177 11.023 -14.017 341 HD21 LEU 43 3HD2 LEU 43 2.647 9.400 -17.643 342 HD22 LEU 43 1HD2 LEU 43 1.332 10.572 -17.746 343 HD23 LEU 43 2HD2 LEU 43 1.283 9.297 -16.527 344 H LYS 44 H LYS 44 6.219 13.217 -16.729 345 HA LYS 44 HA LYS 44 5.810 15.729 -17.859 346 HB2 LYS 44 2HB LYS 44 7.700 14.517 -16.131 347 HB3 LYS 44 3HB LYS 44 8.612 15.325 -17.399 348 HG2 LYS 44 2HG LYS 44 8.423 17.080 -16.001 349 HG3 LYS 44 3HG LYS 44 6.868 17.269 -16.816 350 HD2 LYS 44 2HD LYS 44 5.924 15.761 -14.981 351 HD3 LYS 44 3HD LYS 44 7.440 16.055 -14.126 352 HE2 LYS 44 2HE LYS 44 5.825 17.630 -13.334 353 HE3 LYS 44 3HE LYS 44 6.994 18.501 -14.326 354 HZ1 LYS 44 3HZ LYS 44 5.475 18.784 -16.018 355 HZ2 LYS 44 1HZ LYS 44 4.492 18.943 -14.650 356 HZ3 LYS 44 2HZ LYS 44 4.498 17.495 -15.524 357 H GLN 45 H GLN 45 8.408 13.441 -18.739 358 HA GLN 45 HA GLN 45 9.186 14.793 -21.066 359 HB2 GLN 45 2HB GLN 45 10.479 12.864 -21.597 360 HB3 GLN 45 3HB GLN 45 10.495 13.023 -19.846 361 HG2 GLN 45 2HG GLN 45 8.859 11.274 -19.623 362 HG3 GLN 45 3HG GLN 45 8.679 11.174 -21.374 363 HE21 GLN 45 1HE2 GLN 45 10.236 10.143 -22.584 364 HE22 GLN 45 2HE2 GLN 45 11.480 9.173 -21.880 365 H GLN 46 H GLN 46 6.691 12.410 -20.490 366 HA GLN 46 HA GLN 46 6.153 11.505 -23.035 367 HB2 GLN 46 2HB GLN 46 4.775 11.602 -20.519 368 HB3 GLN 46 3HB GLN 46 3.645 11.966 -21.816 369 HG2 GLN 46 2HG GLN 46 4.265 9.900 -22.949 370 HG3 GLN 46 3HG GLN 46 5.414 9.537 -21.662 371 HE21 GLN 46 1HE2 GLN 46 4.106 7.545 -21.588 372 HE22 GLN 46 2HE2 GLN 46 2.694 7.535 -20.594 373 H THR 47 H THR 47 4.906 14.446 -21.477 374 HA THR 47 HA THR 47 3.401 15.300 -23.729 375 HB THR 47 HB THR 47 4.436 16.897 -21.379 376 HG1 THR 47 HG1 THR 47 2.940 15.683 -20.462 377 HG21 THR 47 3HG2 THR 47 2.162 18.137 -22.293 378 HG22 THR 47 1HG2 THR 47 2.972 17.670 -23.788 379 HG23 THR 47 2HG2 THR 47 3.814 18.671 -22.605 380 H MET 48 H MET 48 6.567 16.282 -22.435 381 HA MET 48 HA MET 48 7.201 18.271 -24.240 382 HB2 MET 48 2HB MET 48 8.781 16.366 -22.595 383 HB3 MET 48 3HB MET 48 9.636 17.221 -23.872 384 HG2 MET 48 2HG MET 48 9.880 18.448 -21.844 385 HG3 MET 48 3HG MET 48 8.822 19.356 -22.922 386 HE1 MET 48 3HE MET 48 7.735 19.858 -19.065 387 HE2 MET 48 1HE MET 48 9.308 19.752 -19.857 388 HE3 MET 48 2HE MET 48 8.057 20.805 -20.519 389 H LEU 49 H LEU 49 7.548 14.773 -24.595 390 HA LEU 49 HA LEU 49 8.874 14.896 -27.114 391 HB2 LEU 49 2HB LEU 49 7.633 12.782 -25.442 392 HB3 LEU 49 3HB LEU 49 7.867 12.436 -27.154 393 HG LEU 49 HG LEU 49 9.674 11.669 -25.512 394 HD11 LEU 49 1HD1 LEU 49 10.412 11.396 -27.627 395 HD12 LEU 49 2HD1 LEU 49 11.456 12.752 -27.199 396 HD13 LEU 49 3HD1 LEU 49 9.973 13.035 -28.111 397 HD21 LEU 49 3HD2 LEU 49 11.160 13.184 -24.614 398 HD22 LEU 49 1HD2 LEU 49 9.632 14.050 -24.449 399 HD23 LEU 49 2HD2 LEU 49 10.734 14.450 -25.767 400 H ILE 50 H ILE 50 5.511 14.464 -26.112 401 HA ILE 50 HA ILE 50 4.434 13.938 -28.655 402 HB ILE 50 HB ILE 50 3.169 15.175 -26.212 403 HG12 ILE 50 2HG1 ILE 50 2.564 12.453 -27.296 404 HG13 ILE 50 3HG1 ILE 50 4.046 12.695 -26.379 405 HG21 ILE 50 1HG2 ILE 50 1.979 14.421 -28.861 406 HG22 ILE 50 2HG2 ILE 50 1.013 14.462 -27.386 407 HG23 ILE 50 3HG2 ILE 50 1.808 15.928 -27.961 408 HD11 ILE 50 3HD1 ILE 50 2.428 11.932 -24.852 409 HD12 ILE 50 1HD1 ILE 50 2.608 13.660 -24.550 410 HD13 ILE 50 2HD1 ILE 50 1.216 13.062 -25.455 411 H ASN 51 H ASN 51 5.283 16.920 -27.035 412 HA ASN 51 HA ASN 51 4.018 18.544 -29.091 413 HB2 ASN 51 2HB ASN 51 5.464 19.168 -26.526 414 HB3 ASN 51 3HB ASN 51 5.099 20.431 -27.698 415 HD21 ASN 51 1HD2 ASN 51 3.495 17.724 -26.059 416 HD22 ASN 51 2HD2 ASN 51 2.019 18.566 -25.747 417 H GLU 52 H GLU 52 7.167 17.375 -28.181 418 HA GLU 52 HA GLU 52 8.609 19.186 -29.892 419 HB2 GLU 52 2HB GLU 52 9.690 18.326 -27.896 420 HB3 GLU 52 3HB GLU 52 9.472 16.673 -28.453 421 HG2 GLU 52 2HG GLU 52 11.050 16.943 -30.185 422 HG3 GLU 52 3HG GLU 52 11.084 18.693 -29.979 423 H ASN 53 H ASN 53 7.011 16.165 -30.240 424 HA ASN 53 HA ASN 53 8.227 15.814 -32.902 425 HB2 ASN 53 2HB ASN 53 7.219 13.789 -30.913 426 HB3 ASN 53 3HB ASN 53 7.398 13.392 -32.620 427 HD21 ASN 53 1HD2 ASN 53 9.065 14.283 -29.692 428 HD22 ASN 53 2HD2 ASN 53 10.639 13.790 -30.204 429 H ARG 54 H ARG 54 5.400 16.518 -31.182 430 HA ARG 54 HA ARG 54 3.241 16.883 -31.796 431 HB2 ARG 54 2HB ARG 54 4.325 16.754 -34.615 432 HB3 ARG 54 3HB ARG 54 2.789 17.453 -34.122 433 HG2 ARG 54 2HG ARG 54 4.041 19.343 -34.280 434 HG3 ARG 54 3HG ARG 54 4.348 18.930 -32.592 435 HD2 ARG 54 2HD ARG 54 6.478 18.101 -33.059 436 HD3 ARG 54 3HD ARG 54 6.129 17.916 -34.777 437 HE ARG 54 HE ARG 54 7.026 20.300 -33.431 438 HH11 ARG 54 1HH1 ARG 54 5.431 19.002 -36.240 439 HH12 ARG 54 2HH1 ARG 54 5.788 20.374 -37.237 440 HH21 ARG 54 1HH2 ARG 54 7.502 22.111 -34.733 441 HH22 ARG 54 2HH2 ARG 54 6.966 22.141 -36.379 442 H LEU 55 H LEU 55 3.971 14.236 -31.252 443 HA LEU 55 HA LEU 55 3.047 12.420 -33.224 444 HB2 LEU 55 2HB LEU 55 3.110 11.966 -30.250 445 HB3 LEU 55 3HB LEU 55 3.166 10.749 -31.524 446 HG LEU 55 HG LEU 55 5.355 12.776 -31.285 447 HD11 LEU 55 1HD1 LEU 55 5.438 10.148 -29.843 448 HD12 LEU 55 2HD1 LEU 55 4.878 11.622 -29.053 449 HD13 LEU 55 3HD1 LEU 55 6.521 11.532 -29.689 450 HD21 LEU 55 3HD2 LEU 55 5.832 11.599 -33.151 451 HD22 LEU 55 1HD2 LEU 55 4.866 10.210 -32.653 452 HD23 LEU 55 2HD2 LEU 55 6.485 10.440 -31.993 453 H ASN 56 H ASN 56 1.199 10.826 -32.549 454 HA ASN 56 HA ASN 56 -1.162 12.485 -31.975 455 HB2 ASN 56 2HB ASN 56 -0.734 11.039 -34.194 456 HB3 ASN 56 3HB ASN 56 -1.473 9.792 -33.194 457 HD21 ASN 56 1HD2 ASN 56 -3.364 11.027 -31.811 458 HD22 ASN 56 2HD2 ASN 56 -4.535 11.757 -32.851 459 H MET 57 H MET 57 -1.238 12.316 -29.752 460 HA MET 57 HA MET 57 -0.794 10.101 -28.177 461 HB2 MET 57 2HB MET 57 -2.979 12.111 -27.640 462 HB3 MET 57 3HB MET 57 -2.055 11.188 -26.462 463 HG2 MET 57 2HG MET 57 -0.563 12.808 -26.327 464 HG3 MET 57 3HG MET 57 -0.239 12.682 -28.054 465 HE1 MET 57 3HE MET 57 -2.326 13.898 -25.321 466 HE2 MET 57 1HE MET 57 -1.800 15.575 -25.474 467 HE3 MET 57 2HE MET 57 -3.420 15.108 -25.993 468 H ALA 58 H ALA 58 -3.740 11.018 -29.895 469 HA ALA 58 HA ALA 58 -5.540 9.207 -28.849 470 HB1 ALA 58 1HB ALA 58 -5.862 9.400 -31.710 471 HB2 ALA 58 2HB ALA 58 -6.873 10.048 -30.417 472 HB3 ALA 58 3HB ALA 58 -5.490 10.972 -31.002 473 H ASP 59 H ASP 59 -3.107 8.697 -31.364 474 HA ASP 59 HA ASP 59 -3.863 5.881 -31.569 475 HB2 ASP 59 2HB ASP 59 -2.307 7.778 -33.245 476 HB3 ASP 59 3HB ASP 59 -1.816 6.087 -33.292 477 HA PRO 60 HA PRO 60 -0.586 4.312 -29.114 478 HB2 PRO 60 2HB PRO 60 0.188 2.116 -30.510 479 HB3 PRO 60 3HB PRO 60 -1.340 2.203 -29.627 480 HG2 PRO 60 2HG PRO 60 -0.818 2.585 -32.550 481 HG3 PRO 60 3HG PRO 60 -2.130 1.696 -31.755 482 HD2 PRO 60 2HD PRO 60 -2.458 4.190 -32.758 483 HD3 PRO 60 3HD PRO 60 -3.339 3.612 -31.329 484 H ARG 61 H ARG 61 0.023 5.307 -32.342 485 HA ARG 61 HA ARG 61 2.750 4.741 -32.604 486 HB2 ARG 61 2HB ARG 61 1.201 7.095 -33.702 487 HB3 ARG 61 3HB ARG 61 2.783 6.567 -34.258 488 HG2 ARG 61 2HG ARG 61 0.486 4.662 -34.295 489 HG3 ARG 61 3HG ARG 61 0.651 5.878 -35.564 490 HD2 ARG 61 2HD ARG 61 2.987 5.047 -35.927 491 HD3 ARG 61 3HD ARG 61 2.625 3.730 -34.812 492 HE ARG 61 HE ARG 61 1.743 3.989 -37.536 493 HH11 ARG 61 1HH1 ARG 61 1.091 2.545 -34.436 494 HH12 ARG 61 2HH1 ARG 61 0.178 1.229 -35.096 495 HH21 ARG 61 1HH2 ARG 61 0.543 2.261 -38.416 496 HH22 ARG 61 2HH2 ARG 61 -0.133 1.067 -37.360 497 H ALA 62 H ALA 62 1.082 7.171 -30.770 498 HA ALA 62 HA ALA 62 3.402 8.825 -30.350 499 HB1 ALA 62 1HB ALA 62 1.738 9.682 -28.452 500 HB2 ALA 62 2HB ALA 62 1.573 10.151 -30.144 501 HB3 ALA 62 3HB ALA 62 0.571 8.858 -29.486 502 H ARG 63 H ARG 63 1.895 6.114 -28.779 503 HA ARG 63 HA ARG 63 3.425 6.459 -26.335 504 HB2 ARG 63 2HB ARG 63 1.526 4.282 -27.226 505 HB3 ARG 63 3HB ARG 63 2.307 4.338 -25.652 506 HG2 ARG 63 2HG ARG 63 0.480 5.413 -24.975 507 HG3 ARG 63 3HG ARG 63 1.147 6.811 -25.820 508 HD2 ARG 63 2HD ARG 63 -0.983 6.685 -26.704 509 HD3 ARG 63 3HD ARG 63 -0.037 5.793 -27.895 510 HE ARG 63 HE ARG 63 -1.144 3.872 -27.297 511 HH11 ARG 63 1HH1 ARG 63 -1.767 6.357 -24.940 512 HH12 ARG 63 2HH1 ARG 63 -3.002 5.456 -24.124 513 HH21 ARG 63 1HH2 ARG 63 -2.768 2.676 -26.231 514 HH22 ARG 63 2HH2 ARG 63 -3.569 3.362 -24.859 515 H GLN 64 H GLN 64 3.517 4.581 -29.275 516 HA GLN 64 HA GLN 64 5.468 2.701 -28.347 517 HB2 GLN 64 2HB GLN 64 3.838 2.294 -30.224 518 HB3 GLN 64 3HB GLN 64 4.794 3.394 -31.207 519 HG2 GLN 64 2HG GLN 64 6.570 1.937 -31.355 520 HG3 GLN 64 3HG GLN 64 6.114 1.069 -29.890 521 HE21 GLN 64 1HE2 GLN 64 4.960 -0.740 -30.073 522 HE22 GLN 64 2HE2 GLN 64 4.261 -1.332 -31.538 523 H TYR 65 H TYR 65 5.542 5.852 -29.798 524 HA TYR 65 HA TYR 65 8.271 5.731 -30.658 525 HB2 TYR 65 2HB TYR 65 6.856 7.277 -31.794 526 HB3 TYR 65 3HB TYR 65 6.329 8.011 -30.284 527 HD1 TYR 65 HD1 TYR 65 9.191 7.662 -32.599 528 HD2 TYR 65 HD2 TYR 65 7.569 9.767 -29.277 529 HE1 TYR 65 HE1 TYR 65 10.969 9.349 -32.808 530 HE2 TYR 65 HE2 TYR 65 9.341 11.461 -29.477 531 HH TYR 65 HH TYR 65 12.112 11.029 -31.180 532 H LEU 66 H LEU 66 6.584 6.838 -27.779 533 HA LEU 66 HA LEU 66 8.866 8.077 -26.589 534 HB2 LEU 66 2HB LEU 66 6.088 7.483 -25.826 535 HB3 LEU 66 3HB LEU 66 7.237 7.539 -24.490 536 HG LEU 66 HG LEU 66 7.260 9.808 -26.403 537 HD11 LEU 66 1HD1 LEU 66 4.977 9.868 -26.230 538 HD12 LEU 66 2HD1 LEU 66 5.432 10.794 -24.801 539 HD13 LEU 66 3HD1 LEU 66 4.965 9.102 -24.642 540 HD21 LEU 66 3HD2 LEU 66 8.726 9.443 -24.317 541 HD22 LEU 66 1HD2 LEU 66 7.281 9.885 -23.407 542 HD23 LEU 66 2HD2 LEU 66 7.983 11.025 -24.556 543 H MET 67 H MET 67 7.584 4.853 -26.688 544 HA MET 67 HA MET 67 8.745 3.745 -24.410 545 HB2 MET 67 2HB MET 67 7.865 2.674 -27.050 546 HB3 MET 67 3HB MET 67 8.841 1.635 -26.020 547 HG2 MET 67 2HG MET 67 7.044 2.432 -24.220 548 HG3 MET 67 3HG MET 67 6.066 2.585 -25.678 549 HE1 MET 67 3HE MET 67 6.464 -1.030 -23.268 550 HE2 MET 67 1HE MET 67 7.928 -0.046 -23.265 551 HE3 MET 67 2HE MET 67 6.370 0.690 -22.888 552 H LYS 68 H LYS 68 10.161 4.705 -27.426 553 HA LYS 68 HA LYS 68 12.590 3.206 -27.088 554 HB2 LYS 68 2HB LYS 68 11.983 5.537 -28.917 555 HB3 LYS 68 3HB LYS 68 13.396 4.495 -29.018 556 HG2 LYS 68 2HG LYS 68 10.724 3.212 -29.130 557 HG3 LYS 68 3HG LYS 68 11.266 4.129 -30.538 558 HD2 LYS 68 2HD LYS 68 12.174 2.125 -31.093 559 HD3 LYS 68 3HD LYS 68 13.487 2.714 -30.072 560 HE2 LYS 68 2HE LYS 68 13.165 0.623 -29.186 561 HE3 LYS 68 3HE LYS 68 12.093 1.579 -28.163 562 HZ1 LYS 68 3HZ LYS 68 10.797 -0.218 -28.784 563 HZ2 LYS 68 1HZ LYS 68 11.392 -0.251 -30.368 564 HZ3 LYS 68 2HZ LYS 68 10.322 0.969 -29.892 565 H GLN 69 H GLN 69 11.365 6.198 -25.951 566 HA GLN 69 HA GLN 69 13.977 7.340 -25.422 567 HB2 GLN 69 2HB GLN 69 11.333 8.371 -24.411 568 HB3 GLN 69 3HB GLN 69 12.828 9.266 -24.649 569 HG2 GLN 69 2HG GLN 69 11.183 8.059 -26.861 570 HG3 GLN 69 3HG GLN 69 11.106 9.744 -26.349 571 HE21 GLN 69 1HE2 GLN 69 11.630 9.815 -28.762 572 HE22 GLN 69 2HE2 GLN 69 13.306 9.921 -29.167 573 H THR 70 H THR 70 11.691 5.335 -23.845 574 HA THR 70 HA THR 70 12.700 5.924 -21.179 575 HB THR 70 HB THR 70 10.877 3.620 -21.638 576 HG1 THR 70 HG1 THR 70 10.205 6.336 -22.108 577 HG21 THR 70 3HG2 THR 70 10.852 5.888 -19.644 578 HG22 THR 70 1HG2 THR 70 11.608 4.316 -19.382 579 HG23 THR 70 2HG2 THR 70 9.860 4.431 -19.589 580 H GLU 71 H GLU 71 12.856 3.386 -23.610 581 HA GLU 71 HA GLU 71 14.209 1.502 -21.946 582 HB2 GLU 71 2HB GLU 71 12.870 0.914 -23.983 583 HB3 GLU 71 3HB GLU 71 14.154 1.605 -24.964 584 HG2 GLU 71 2HG GLU 71 14.723 -0.569 -22.990 585 HG3 GLU 71 3HG GLU 71 14.107 -0.933 -24.601 586 H LYS 72 H LYS 72 15.328 3.425 -24.736 587 HA LYS 72 HA LYS 72 18.044 2.845 -24.468 588 HB2 LYS 72 2HB LYS 72 16.482 4.369 -26.181 589 HB3 LYS 72 3HB LYS 72 17.542 5.552 -25.426 590 HG2 LYS 72 2HG LYS 72 18.678 3.032 -26.555 591 HG3 LYS 72 3HG LYS 72 18.275 4.384 -27.616 592 HD2 LYS 72 2HD LYS 72 20.143 5.445 -27.038 593 HD3 LYS 72 3HD LYS 72 19.710 5.349 -25.330 594 HE2 LYS 72 2HE LYS 72 21.563 4.084 -25.178 595 HE3 LYS 72 3HE LYS 72 20.518 2.806 -25.795 596 HZ1 LYS 72 3HZ LYS 72 21.271 3.717 -28.082 597 HZ2 LYS 72 1HZ LYS 72 22.305 2.699 -27.211 598 HZ3 LYS 72 2HZ LYS 72 22.566 4.370 -27.211 599 H TYR 73 H TYR 73 16.028 4.799 -22.537 600 HA TYR 73 HA TYR 73 17.936 6.670 -21.594 601 HB2 TYR 73 2HB TYR 73 15.642 7.196 -21.262 602 HB3 TYR 73 3HB TYR 73 15.327 5.658 -20.468 603 HD1 TYR 73 HD1 TYR 73 17.821 8.404 -19.965 604 HD2 TYR 73 HD2 TYR 73 14.822 5.928 -18.240 605 HE1 TYR 73 HE1 TYR 73 18.217 9.459 -17.779 606 HE2 TYR 73 HE2 TYR 73 15.209 6.977 -16.049 607 HH TYR 73 HH TYR 73 17.662 8.404 -15.101 608 H PHE 74 H PHE 74 16.435 4.095 -19.650 609 HA PHE 74 HA PHE 74 18.909 3.877 -18.115 610 HB2 PHE 74 2HB PHE 74 16.801 4.143 -16.879 611 HB3 PHE 74 3HB PHE 74 16.181 2.668 -17.614 612 HD1 PHE 74 HD2 PHE 74 19.301 3.699 -15.836 613 HD2 PHE 74 HD1 PHE 74 16.151 0.862 -16.218 614 HE1 PHE 74 HE2 PHE 74 20.270 2.382 -13.998 615 HE2 PHE 74 HE1 PHE 74 17.115 -0.460 -14.380 616 HZ PHE 74 HZ PHE 74 19.178 0.298 -13.269 617 H PHE 75 H PHE 75 16.623 1.784 -19.854 618 HA PHE 75 HA PHE 75 18.161 -0.580 -19.550 619 HB2 PHE 75 2HB PHE 75 16.111 0.028 -21.688 620 HB3 PHE 75 3HB PHE 75 16.648 -1.565 -21.165 621 HD1 PHE 75 HD2 PHE 75 16.674 -0.865 -18.169 622 HD2 PHE 75 HD1 PHE 75 13.796 -0.312 -21.256 623 HE1 PHE 75 HE2 PHE 75 14.872 -0.922 -16.495 624 HE2 PHE 75 HE1 PHE 75 11.990 -0.367 -19.586 625 HZ PHE 75 HZ PHE 75 12.526 -0.674 -17.203 626 H GLY 76 H GLY 76 18.728 2.166 -21.349 627 HA2 GLY 76 2HA GLY 76 20.366 0.661 -23.296 628 HA3 GLY 76 3HA GLY 76 19.621 2.213 -23.649 629 H GLU 77 H GLU 77 20.750 4.027 -23.275 630 HA GLU 77 HA GLU 77 23.471 4.026 -22.878 631 HB2 GLU 77 2HB GLU 77 23.354 6.377 -22.673 632 HB3 GLU 77 3HB GLU 77 22.002 5.929 -23.703 633 HG2 GLU 77 2HG GLU 77 20.483 6.113 -21.811 634 HG3 GLU 77 3HG GLU 77 21.833 6.531 -20.758 635 H GLY 78 H GLY 78 20.915 4.048 -20.489 636 HA2 GLY 78 2HA GLY 78 21.010 3.562 -18.236 637 HA3 GLY 78 3HA GLY 78 22.727 3.238 -18.428 638 H ALA 79 H ALA 79 20.454 5.304 -17.101 639 HA ALA 79 HA ALA 79 22.545 7.123 -16.229 640 HB1 ALA 79 1HB ALA 79 20.588 8.946 -16.801 641 HB2 ALA 79 2HB ALA 79 22.028 8.654 -17.777 642 HB3 ALA 79 3HB ALA 79 20.508 7.861 -18.189 643 H ASP 80 H ASP 80 22.343 7.196 -14.099 644 HA ASP 80 HA ASP 80 19.664 7.465 -12.932 645 HB2 ASP 80 2HB ASP 80 20.182 5.859 -11.179 646 HB3 ASP 80 3HB ASP 80 20.335 5.091 -12.757 647 H GLN 81 H GLN 81 19.538 8.780 -11.160 648 HA GLN 81 HA GLN 81 22.024 9.807 -10.005 649 HB2 GLN 81 2HB GLN 81 21.116 12.130 -10.131 650 HB3 GLN 81 3HB GLN 81 21.514 11.432 -11.695 651 HG2 GLN 81 2HG GLN 81 19.047 10.801 -11.845 652 HG3 GLN 81 3HG GLN 81 18.812 11.910 -10.495 653 HE21 GLN 81 1HE2 GLN 81 18.561 11.691 -13.704 654 HE22 GLN 81 2HE2 GLN 81 18.840 13.334 -14.158 655 H ALA 82 H ALA 82 21.751 10.835 -7.940 656 HA ALA 82 HA ALA 82 19.442 9.760 -6.493 657 HB1 ALA 82 1HB ALA 82 21.824 9.289 -5.769 658 HB2 ALA 82 2HB ALA 82 21.901 10.978 -5.266 659 HB3 ALA 82 3HB ALA 82 20.729 9.889 -4.523 660 H SER 83 H SER 83 17.776 11.143 -6.487 661 HA SER 83 HA SER 83 17.936 13.591 -5.076 662 HB2 SER 83 2HB SER 83 18.929 14.110 -7.426 663 HB3 SER 83 3HB SER 83 17.254 14.027 -7.970 664 HG SER 83 HG SER 83 17.407 16.089 -7.407 665 H GLY 84 H GLY 84 15.762 14.933 -5.724 666 HA2 GLY 84 2HA GLY 84 13.443 14.805 -6.167 667 HA3 GLY 84 3HA GLY 84 13.569 13.053 -6.193 668 H TYR 85 H TYR 85 11.568 14.454 -4.806 669 HA TYR 85 HA TYR 85 12.309 13.874 -2.012 670 HB2 TYR 85 2HB TYR 85 10.930 16.180 -3.213 671 HB3 TYR 85 3HB TYR 85 10.138 15.521 -1.786 672 HD1 TYR 85 HD2 TYR 85 11.769 15.058 0.251 673 HD2 TYR 85 HD1 TYR 85 12.562 17.787 -2.916 674 HE1 TYR 85 HE2 TYR 85 13.357 16.262 1.693 675 HE2 TYR 85 HE1 TYR 85 14.153 18.997 -1.483 676 HH TYR 85 HH TYR 85 14.707 19.315 0.794 677 H VAL 86 H VAL 86 10.284 13.430 -0.647 678 HA VAL 86 HA VAL 86 8.471 11.676 -2.174 679 HB VAL 86 HB VAL 86 9.905 10.293 -0.834 680 HG11 VAL 86 1HG1 VAL 86 9.288 10.927 1.824 681 HG12 VAL 86 2HG1 VAL 86 10.837 11.126 1.004 682 HG13 VAL 86 3HG1 VAL 86 9.681 12.458 1.043 683 HG21 VAL 86 3HG2 VAL 86 7.586 10.211 0.964 684 HG22 VAL 86 1HG2 VAL 86 7.191 10.198 -0.755 685 HG23 VAL 86 2HG2 VAL 86 8.255 8.962 -0.085 686 HA PRO 87 HA PRO 87 5.901 14.934 -0.128 687 HB2 PRO 87 2HB PRO 87 4.232 15.260 -2.245 688 HB3 PRO 87 3HB PRO 87 5.766 16.123 -2.089 689 HG2 PRO 87 2HG PRO 87 5.125 13.672 -3.684 690 HG3 PRO 87 3HG PRO 87 6.091 15.086 -4.145 691 HD2 PRO 87 2HD PRO 87 7.211 12.756 -3.342 692 HD3 PRO 87 3HD PRO 87 7.958 14.334 -3.022 693 HA PRO 88 HA PRO 88 2.553 12.348 1.071 694 HB2 PRO 88 2HB PRO 88 0.480 14.092 1.252 695 HB3 PRO 88 3HB PRO 88 1.817 14.065 2.408 696 HG2 PRO 88 2HG PRO 88 1.375 15.875 0.065 697 HG3 PRO 88 3HG PRO 88 1.940 16.276 1.698 698 HD2 PRO 88 2HD PRO 88 3.627 16.018 -0.405 699 HD3 PRO 88 3HD PRO 88 4.097 15.596 1.254 700 H ALA 89 H ALA 89 0.119 11.917 0.548 701 HA ALA 89 HA ALA 89 -0.572 12.372 -2.236 702 HB1 ALA 89 1HB ALA 89 -0.876 9.554 -1.688 703 HB2 ALA 89 2HB ALA 89 -0.084 10.359 -3.043 704 HB3 ALA 89 3HB ALA 89 0.810 10.056 -1.554 705 H GLN 90 H GLN 90 -2.681 10.915 -2.664 706 HA GLN 90 HA GLN 90 -4.386 10.840 -0.304 707 HB2 GLN 90 2HB GLN 90 -4.713 12.740 -2.589 708 HB3 GLN 90 3HB GLN 90 -6.149 12.090 -1.810 709 HG2 GLN 90 2HG GLN 90 -3.946 13.654 -0.485 710 HG3 GLN 90 3HG GLN 90 -5.570 14.229 -0.858 711 HE21 GLN 90 1HE2 GLN 90 -7.339 12.801 0.095 712 HE22 GLN 90 2HE2 GLN 90 -7.112 12.308 1.735 713 H GLY 91 H GLY 91 -6.583 9.935 -0.853 714 HA2 GLY 91 2HA GLY 91 -7.895 8.301 -1.799 715 HA3 GLY 91 3HA GLY 91 -7.006 8.557 -3.294 Start of MODEL 2 1 H1 MET 1 H MET 1 -1.228 -7.458 -0.772 2 HA MET 1 HA MET 1 1.330 -6.621 -1.848 3 HB2 MET 1 2HB MET 1 1.293 -8.056 0.125 4 HB3 MET 1 3HB MET 1 0.403 -9.286 -0.763 5 HG2 MET 1 2HG MET 1 2.619 -10.030 -0.719 6 HG3 MET 1 3HG MET 1 2.376 -9.384 -2.340 7 HE1 MET 1 3HE MET 1 5.819 -8.862 0.006 8 HE2 MET 1 1HE MET 1 4.748 -10.168 -0.506 9 HE3 MET 1 2HE MET 1 5.751 -9.334 -1.693 10 H ALA 2 H ALA 2 0.784 -6.227 -4.028 11 HA ALA 2 HA ALA 2 -0.485 -8.107 -5.708 12 HB1 ALA 2 1HB ALA 2 0.401 -6.744 -7.559 13 HB2 ALA 2 2HB ALA 2 -0.368 -5.766 -6.309 14 HB3 ALA 2 3HB ALA 2 1.391 -5.851 -6.404 15 H ARG 3 H ARG 3 2.888 -7.069 -6.116 16 HA ARG 3 HA ARG 3 3.602 -9.889 -6.595 17 HB2 ARG 3 2HB ARG 3 3.687 -7.860 -8.444 18 HB3 ARG 3 3HB ARG 3 5.337 -7.875 -7.835 19 HG2 ARG 3 2HG ARG 3 5.339 -10.364 -8.286 20 HG3 ARG 3 3HG ARG 3 3.833 -10.104 -9.168 21 HD2 ARG 3 2HD ARG 3 4.871 -8.800 -10.797 22 HD3 ARG 3 3HD ARG 3 6.273 -8.478 -9.777 23 HE ARG 3 HE ARG 3 5.928 -10.671 -11.550 24 HH11 ARG 3 1HH1 ARG 3 7.328 -9.766 -8.494 25 HH12 ARG 3 2HH1 ARG 3 8.559 -10.985 -8.549 26 HH21 ARG 3 1HH2 ARG 3 7.543 -12.280 -11.634 27 HH22 ARG 3 2HH2 ARG 3 8.680 -12.414 -10.336 28 H MET 4 H MET 4 6.312 -9.688 -6.743 29 HA MET 4 HA MET 4 7.156 -8.438 -4.224 30 HB2 MET 4 2HB MET 4 8.569 -10.536 -3.846 31 HB3 MET 4 3HB MET 4 6.844 -10.663 -3.531 32 HG2 MET 4 2HG MET 4 6.556 -11.673 -5.771 33 HG3 MET 4 3HG MET 4 8.306 -11.637 -5.973 34 HE1 MET 4 3HE MET 4 8.857 -15.060 -5.439 35 HE2 MET 4 1HE MET 4 7.226 -14.926 -6.097 36 HE3 MET 4 2HE MET 4 8.470 -13.775 -6.584 37 H ILE 5 H ILE 5 8.430 -6.883 -5.095 38 HA ILE 5 HA ILE 5 10.820 -7.796 -6.515 39 HB ILE 5 HB ILE 5 10.702 -6.135 -8.210 40 HG12 ILE 5 2HG1 ILE 5 8.178 -4.936 -7.989 41 HG13 ILE 5 3HG1 ILE 5 8.857 -4.874 -6.367 42 HG21 ILE 5 1HG2 ILE 5 8.004 -7.452 -7.926 43 HG22 ILE 5 2HG2 ILE 5 8.646 -6.749 -9.410 44 HG23 ILE 5 3HG2 ILE 5 9.436 -8.149 -8.685 45 HD11 ILE 5 3HD1 ILE 5 10.878 -3.809 -7.302 46 HD12 ILE 5 1HD1 ILE 5 10.094 -3.784 -8.881 47 HD13 ILE 5 2HD1 ILE 5 9.410 -2.862 -7.542 48 H HIS 6 H HIS 6 12.431 -5.927 -6.712 49 HA HIS 6 HA HIS 6 12.474 -4.516 -4.138 50 HB2 HIS 6 2HB HIS 6 14.943 -4.240 -4.682 51 HB3 HIS 6 3HB HIS 6 14.399 -5.885 -4.366 52 HD1 HIS 6 HD1 HIS 6 14.221 -7.483 -6.448 53 HD2 HIS 6 HD2 HIS 6 15.978 -3.795 -7.204 54 HE1 HIS 6 HE1 HIS 6 15.362 -7.726 -8.676 55 H CYS 7 H CYS 7 11.417 -2.623 -4.486 56 HA CYS 7 HA CYS 7 11.278 -1.082 -6.741 57 HB2 CYS 7 2HB CYS 7 11.110 0.894 -5.070 58 HB3 CYS 7 3HB CYS 7 9.907 -0.387 -4.985 59 HG CYS 7 HG CYS 7 10.210 -0.313 -2.409 60 H ALA 8 H ALA 8 12.970 -0.603 -8.000 61 HA ALA 8 HA ALA 8 15.574 -0.020 -6.968 62 HB1 ALA 8 1HB ALA 8 16.139 -0.606 -9.029 63 HB2 ALA 8 2HB ALA 8 14.439 -0.640 -9.498 64 HB3 ALA 8 3HB ALA 8 15.366 0.851 -9.655 65 H LYS 9 H LYS 9 12.762 1.819 -7.464 66 HA LYS 9 HA LYS 9 13.968 4.334 -8.049 67 HB2 LYS 9 2HB LYS 9 11.454 3.461 -8.228 68 HB3 LYS 9 3HB LYS 9 11.349 4.203 -6.637 69 HG2 LYS 9 2HG LYS 9 12.641 5.888 -8.645 70 HG3 LYS 9 3HG LYS 9 10.960 5.488 -9.007 71 HD2 LYS 9 2HD LYS 9 10.158 6.598 -7.169 72 HD3 LYS 9 3HD LYS 9 11.642 6.359 -6.243 73 HE2 LYS 9 2HE LYS 9 12.692 7.937 -8.020 74 HE3 LYS 9 3HE LYS 9 11.022 8.402 -8.341 75 HZ1 LYS 9 3HZ LYS 9 10.764 9.202 -6.167 76 HZ2 LYS 9 1HZ LYS 9 12.278 9.777 -6.658 77 HZ3 LYS 9 2HZ LYS 9 12.175 8.449 -5.615 78 H LEU 10 H LEU 10 13.841 2.453 -5.255 79 HA LEU 10 HA LEU 10 14.709 4.748 -3.643 80 HB2 LEU 10 2HB LEU 10 13.234 2.654 -2.197 81 HB3 LEU 10 3HB LEU 10 13.236 4.402 -1.973 82 HG LEU 10 HG LEU 10 11.749 3.018 -4.199 83 HD11 LEU 10 1HD1 LEU 10 11.138 2.627 -1.612 84 HD12 LEU 10 2HD1 LEU 10 9.935 2.712 -2.898 85 HD13 LEU 10 3HD1 LEU 10 10.268 4.133 -1.908 86 HD21 LEU 10 3HD2 LEU 10 10.839 5.602 -3.181 87 HD22 LEU 10 1HD2 LEU 10 11.072 5.051 -4.841 88 HD23 LEU 10 2HD2 LEU 10 12.446 5.646 -3.907 89 H GLY 11 H GLY 11 14.465 1.193 -3.735 90 HA2 GLY 11 2HA GLY 11 16.612 -0.028 -3.774 91 HA3 GLY 11 3HA GLY 11 17.170 1.100 -2.547 92 H LYS 12 H LYS 12 13.952 -0.268 -2.538 93 HA LYS 12 HA LYS 12 14.723 -2.001 -0.286 94 HB2 LYS 12 2HB LYS 12 12.118 -0.486 -0.419 95 HB3 LYS 12 3HB LYS 12 12.780 -1.375 0.947 96 HG2 LYS 12 2HG LYS 12 14.211 0.300 1.526 97 HG3 LYS 12 3HG LYS 12 14.359 0.896 -0.129 98 HD2 LYS 12 2HD LYS 12 13.131 2.467 1.302 99 HD3 LYS 12 3HD LYS 12 12.122 1.848 -0.007 100 HE2 LYS 12 2HE LYS 12 10.897 1.902 2.103 101 HE3 LYS 12 3HE LYS 12 11.101 0.248 1.528 102 HZ1 LYS 12 3HZ LYS 12 13.210 1.134 3.273 103 HZ2 LYS 12 1HZ LYS 12 12.302 -0.294 3.310 104 HZ3 LYS 12 2HZ LYS 12 11.691 1.116 4.016 105 H GLU 13 H GLU 13 12.225 -3.102 0.208 106 HA GLU 13 HA GLU 13 11.772 -4.616 -2.276 107 HB2 GLU 13 2HB GLU 13 11.841 -5.382 0.597 108 HB3 GLU 13 3HB GLU 13 10.696 -6.228 -0.435 109 HG2 GLU 13 2HG GLU 13 12.480 -6.947 -1.892 110 HG3 GLU 13 3HG GLU 13 13.651 -6.016 -0.961 111 H ALA 14 H ALA 14 10.028 -3.855 -3.288 112 HA ALA 14 HA ALA 14 7.619 -3.306 -1.679 113 HB1 ALA 14 1HB ALA 14 8.232 -1.231 -2.558 114 HB2 ALA 14 2HB ALA 14 8.685 -1.922 -4.117 115 HB3 ALA 14 3HB ALA 14 6.985 -1.814 -3.661 116 H GLU 15 H GLU 15 5.665 -3.232 -3.450 117 HA GLU 15 HA GLU 15 5.573 -5.970 -4.451 118 HB2 GLU 15 2HB GLU 15 3.150 -5.563 -4.693 119 HB3 GLU 15 3HB GLU 15 3.720 -5.260 -3.058 120 HG2 GLU 15 2HG GLU 15 3.940 -2.796 -4.248 121 HG3 GLU 15 3HG GLU 15 2.474 -3.458 -4.968 122 H GLY 16 H GLY 16 5.728 -6.479 -6.538 123 HA2 GLY 16 2HA GLY 16 6.291 -4.493 -8.494 124 HA3 GLY 16 3HA GLY 16 6.070 -6.210 -8.796 125 H LEU 17 H LEU 17 5.154 -4.260 -10.557 126 HA LEU 17 HA LEU 17 2.416 -3.626 -10.147 127 HB2 LEU 17 2HB LEU 17 4.360 -3.448 -12.362 128 HB3 LEU 17 3HB LEU 17 2.660 -3.511 -12.823 129 HG LEU 17 HG LEU 17 2.196 -1.502 -11.582 130 HD11 LEU 17 1HD1 LEU 17 3.726 -1.889 -9.712 131 HD12 LEU 17 2HD1 LEU 17 3.929 -0.277 -10.396 132 HD13 LEU 17 3HD1 LEU 17 5.098 -1.545 -10.765 133 HD21 LEU 17 3HD2 LEU 17 4.165 -0.058 -12.713 134 HD22 LEU 17 1HD2 LEU 17 2.793 -0.712 -13.609 135 HD23 LEU 17 2HD2 LEU 17 4.336 -1.568 -13.610 136 H ASP 18 H ASP 18 4.104 -6.319 -11.626 137 HA ASP 18 HA ASP 18 3.401 -8.351 -12.369 138 HB2 ASP 18 2HB ASP 18 2.161 -8.091 -10.065 139 HB3 ASP 18 3HB ASP 18 0.727 -7.957 -11.080 140 H PHE 19 H PHE 19 3.043 -6.169 -14.095 141 HA PHE 19 HA PHE 19 1.283 -7.285 -16.003 142 HB2 PHE 19 2HB PHE 19 -0.447 -6.294 -14.577 143 HB3 PHE 19 3HB PHE 19 0.344 -4.725 -14.690 144 HD1 PHE 19 HD1 PHE 19 0.341 -3.487 -16.817 145 HD2 PHE 19 HD2 PHE 19 -1.830 -7.115 -16.327 146 HE1 PHE 19 HE1 PHE 19 -0.976 -2.967 -18.829 147 HE2 PHE 19 HE2 PHE 19 -3.150 -6.601 -18.338 148 HZ PHE 19 HZ PHE 19 -2.724 -4.525 -19.593 149 HA PRO 20 HA PRO 20 4.130 -4.981 -18.466 150 HB2 PRO 20 2HB PRO 20 2.933 -5.360 -20.873 151 HB3 PRO 20 3HB PRO 20 3.846 -6.626 -20.044 152 HG2 PRO 20 2HG PRO 20 0.887 -6.190 -20.156 153 HG3 PRO 20 3HG PRO 20 1.801 -7.703 -20.300 154 HD2 PRO 20 2HD PRO 20 0.569 -6.957 -18.007 155 HD3 PRO 20 3HD PRO 20 2.071 -7.902 -18.020 156 HA PRO 21 HA PRO 21 1.824 -1.099 -18.432 157 HB2 PRO 21 2HB PRO 21 4.033 0.473 -18.569 158 HB3 PRO 21 3HB PRO 21 3.470 -0.264 -17.065 159 HG2 PRO 21 2HG PRO 21 5.645 -1.161 -18.916 160 HG3 PRO 21 3HG PRO 21 5.637 -1.106 -17.144 161 HD2 PRO 21 2HD PRO 21 5.219 -3.393 -18.532 162 HD3 PRO 21 3HD PRO 21 4.452 -3.075 -16.963 163 H LEU 22 H LEU 22 4.659 -1.615 -20.538 164 HA LEU 22 HA LEU 22 3.098 -0.482 -22.762 165 HB2 LEU 22 2HB LEU 22 5.912 0.083 -21.923 166 HB3 LEU 22 3HB LEU 22 5.445 0.234 -23.615 167 HG LEU 22 HG LEU 22 5.407 2.398 -22.530 168 HD11 LEU 22 1HD1 LEU 22 2.595 1.430 -23.019 169 HD12 LEU 22 2HD1 LEU 22 3.741 1.880 -24.281 170 HD13 LEU 22 3HD1 LEU 22 3.181 3.090 -23.127 171 HD21 LEU 22 3HD2 LEU 22 4.328 2.892 -20.573 172 HD22 LEU 22 1HD2 LEU 22 4.797 1.222 -20.256 173 HD23 LEU 22 2HD2 LEU 22 3.149 1.593 -20.764 174 HA PRO 23 HA PRO 23 4.115 -4.055 -25.097 175 HB2 PRO 23 2HB PRO 23 4.429 -3.031 -27.591 176 HB3 PRO 23 3HB PRO 23 2.854 -3.174 -26.803 177 HG2 PRO 23 2HG PRO 23 4.634 -0.781 -27.059 178 HG3 PRO 23 3HG PRO 23 2.875 -0.893 -27.256 179 HD2 PRO 23 2HD PRO 23 4.031 0.041 -24.992 180 HD3 PRO 23 3HD PRO 23 2.491 -0.843 -24.984 181 H GLY 24 H GLY 24 5.879 -5.255 -25.564 182 HA2 GLY 24 2HA GLY 24 8.034 -5.408 -26.731 183 HA3 GLY 24 3HA GLY 24 8.406 -3.815 -26.088 184 H GLU 25 H GLU 25 10.377 -5.168 -25.482 185 HA GLU 25 HA GLU 25 10.076 -6.959 -23.255 186 HB2 GLU 25 2HB GLU 25 12.623 -5.678 -24.247 187 HB3 GLU 25 3HB GLU 25 12.467 -7.147 -23.294 188 HG2 GLU 25 2HG GLU 25 11.279 -8.188 -25.217 189 HG3 GLU 25 3HG GLU 25 11.651 -6.746 -26.159 190 H LEU 26 H LEU 26 10.676 -3.568 -23.705 191 HA LEU 26 HA LEU 26 11.879 -2.873 -21.307 192 HB2 LEU 26 2HB LEU 26 11.649 -1.237 -23.005 193 HB3 LEU 26 3HB LEU 26 9.895 -1.411 -23.029 194 HG LEU 26 HG LEU 26 9.702 -0.296 -20.905 195 HD11 LEU 26 1HD1 LEU 26 12.715 -0.179 -20.909 196 HD12 LEU 26 2HD1 LEU 26 11.714 -1.166 -19.844 197 HD13 LEU 26 3HD1 LEU 26 11.652 0.593 -19.733 198 HD21 LEU 26 3HD2 LEU 26 9.892 1.751 -21.793 199 HD22 LEU 26 1HD2 LEU 26 10.439 0.906 -23.242 200 HD23 LEU 26 2HD2 LEU 26 11.618 1.562 -22.106 201 H GLY 27 H GLY 27 8.398 -3.089 -22.037 202 HA2 GLY 27 2HA GLY 27 7.374 -2.333 -19.584 203 HA3 GLY 27 3HA GLY 27 6.602 -3.486 -20.661 204 H LYS 28 H LYS 28 8.244 -5.630 -20.609 205 HA LYS 28 HA LYS 28 7.531 -6.967 -18.285 206 HB2 LYS 28 2HB LYS 28 9.872 -7.598 -20.093 207 HB3 LYS 28 3HB LYS 28 9.089 -8.717 -18.985 208 HG2 LYS 28 2HG LYS 28 7.097 -8.736 -20.275 209 HG3 LYS 28 3HG LYS 28 7.654 -7.386 -21.268 210 HD2 LYS 28 2HD LYS 28 7.938 -9.378 -22.547 211 HD3 LYS 28 3HD LYS 28 9.542 -8.850 -22.034 212 HE2 LYS 28 2HE LYS 28 9.534 -10.485 -20.243 213 HE3 LYS 28 3HE LYS 28 7.892 -10.971 -20.662 214 HZ1 LYS 28 3HZ LYS 28 8.961 -11.437 -22.964 215 HZ2 LYS 28 1HZ LYS 28 9.140 -12.563 -21.713 216 HZ3 LYS 28 2HZ LYS 28 10.406 -11.505 -22.087 217 H ARG 29 H ARG 29 10.306 -4.975 -18.954 218 HA ARG 29 HA ARG 29 11.659 -5.799 -16.511 219 HB2 ARG 29 2HB ARG 29 12.437 -3.711 -18.556 220 HB3 ARG 29 3HB ARG 29 13.444 -4.283 -17.233 221 HG2 ARG 29 2HG ARG 29 13.228 -6.593 -18.270 222 HG3 ARG 29 3HG ARG 29 12.572 -5.770 -19.687 223 HD2 ARG 29 2HD ARG 29 14.616 -4.428 -19.844 224 HD3 ARG 29 3HD ARG 29 15.268 -5.260 -18.432 225 HE ARG 29 HE ARG 29 15.197 -6.228 -21.124 226 HH11 ARG 29 1HH1 ARG 29 15.191 -7.178 -17.774 227 HH12 ARG 29 2HH1 ARG 29 15.866 -8.744 -18.082 228 HH21 ARG 29 1HH2 ARG 29 16.086 -8.287 -21.542 229 HH22 ARG 29 2HH2 ARG 29 16.376 -9.373 -20.225 230 H LEU 30 H LEU 30 9.478 -3.396 -17.586 231 HA LEU 30 HA LEU 30 10.171 -1.372 -15.686 232 HB2 LEU 30 2HB LEU 30 7.864 -1.845 -17.529 233 HB3 LEU 30 3HB LEU 30 7.770 -0.588 -16.297 234 HG LEU 30 HG LEU 30 9.811 -0.738 -18.516 235 HD11 LEU 30 1HD1 LEU 30 7.443 1.086 -18.120 236 HD12 LEU 30 2HD1 LEU 30 7.589 -0.182 -19.336 237 HD13 LEU 30 3HD1 LEU 30 8.650 1.225 -19.399 238 HD21 LEU 30 3HD2 LEU 30 9.890 0.600 -16.022 239 HD22 LEU 30 1HD2 LEU 30 9.621 1.814 -17.272 240 HD23 LEU 30 2HD2 LEU 30 11.013 0.736 -17.376 241 H TYR 31 H TYR 31 7.790 -3.975 -15.823 242 HA TYR 31 HA TYR 31 6.621 -3.253 -13.286 243 HB2 TYR 31 2HB TYR 31 5.025 -4.854 -13.717 244 HB3 TYR 31 3HB TYR 31 5.549 -4.495 -15.358 245 HD1 TYR 31 HD2 TYR 31 5.636 -6.958 -12.643 246 HD2 TYR 31 HD1 TYR 31 6.822 -6.107 -16.640 247 HE1 TYR 31 HE2 TYR 31 6.184 -9.332 -12.979 248 HE2 TYR 31 HE1 TYR 31 7.372 -8.479 -16.988 249 HH TYR 31 HH TYR 31 7.124 -10.571 -16.135 250 H GLU 32 H GLU 32 9.250 -5.158 -14.372 251 HA GLU 32 HA GLU 32 9.345 -6.756 -11.936 252 HB2 GLU 32 2HB GLU 32 10.771 -8.161 -13.030 253 HB3 GLU 32 3HB GLU 32 9.975 -7.452 -14.428 254 HG2 GLU 32 2HG GLU 32 11.844 -5.794 -14.542 255 HG3 GLU 32 3HG GLU 32 12.661 -6.728 -13.290 256 H SER 33 H SER 33 10.185 -3.710 -12.738 257 HA SER 33 HA SER 33 12.440 -3.700 -10.843 258 HB2 SER 33 2HB SER 33 12.147 -1.911 -13.268 259 HB3 SER 33 3HB SER 33 13.481 -1.892 -12.115 260 HG SER 33 HG SER 33 13.984 -4.018 -12.777 261 H VAL 34 H VAL 34 9.701 -1.948 -12.205 262 HA VAL 34 HA VAL 34 9.839 0.050 -10.081 263 HB VAL 34 HB VAL 34 7.827 -0.138 -12.323 264 HG11 VAL 34 1HG1 VAL 34 7.381 1.256 -10.209 265 HG12 VAL 34 2HG1 VAL 34 8.639 2.329 -10.825 266 HG13 VAL 34 3HG1 VAL 34 7.184 2.036 -11.778 267 HG21 VAL 34 3HG2 VAL 34 9.589 1.957 -12.846 268 HG22 VAL 34 1HG2 VAL 34 10.615 0.600 -12.381 269 HG23 VAL 34 2HG2 VAL 34 9.472 0.426 -13.713 270 H SER 35 H SER 35 8.467 0.159 -8.392 271 HA SER 35 HA SER 35 6.475 -1.994 -8.154 272 HB2 SER 35 2HB SER 35 8.442 -0.902 -6.329 273 HB3 SER 35 3HB SER 35 6.824 -0.821 -5.631 274 HG SER 35 HG SER 35 8.393 -2.930 -5.822 275 H LYS 36 H LYS 36 4.797 -1.191 -6.295 276 HA LYS 36 HA LYS 36 3.145 0.693 -7.602 277 HB2 LYS 36 2HB LYS 36 3.049 -0.714 -4.958 278 HB3 LYS 36 3HB LYS 36 1.912 0.584 -5.295 279 HG2 LYS 36 2HG LYS 36 1.155 -0.629 -7.297 280 HG3 LYS 36 3HG LYS 36 2.255 -1.948 -6.888 281 HD2 LYS 36 2HD LYS 36 0.262 -2.693 -5.986 282 HD3 LYS 36 3HD LYS 36 1.016 -1.907 -4.597 283 HE2 LYS 36 2HE LYS 36 -0.776 -0.326 -6.386 284 HE3 LYS 36 3HE LYS 36 -1.486 -1.428 -5.207 285 HZ1 LYS 36 3HZ LYS 36 -0.469 1.146 -4.782 286 HZ2 LYS 36 1HZ LYS 36 0.502 0.060 -3.922 287 HZ3 LYS 36 2HZ LYS 36 -1.168 0.096 -3.655 288 H GLN 37 H GLN 37 5.627 1.001 -5.223 289 HA GLN 37 HA GLN 37 4.811 3.510 -4.149 290 HB2 GLN 37 2HB GLN 37 6.456 1.790 -3.156 291 HB3 GLN 37 3HB GLN 37 7.652 2.526 -4.214 292 HG2 GLN 37 2HG GLN 37 7.699 3.419 -1.921 293 HG3 GLN 37 3HG GLN 37 7.381 4.652 -3.140 294 HE21 GLN 37 1HE2 GLN 37 6.275 6.093 -1.942 295 HE22 GLN 37 2HE2 GLN 37 4.765 5.767 -1.169 296 H ALA 38 H ALA 38 7.152 2.556 -6.641 297 HA ALA 38 HA ALA 38 7.829 5.283 -7.263 298 HB1 ALA 38 1HB ALA 38 9.414 3.365 -7.489 299 HB2 ALA 38 2HB ALA 38 8.465 2.817 -8.871 300 HB3 ALA 38 3HB ALA 38 9.282 4.379 -8.927 301 H TRP 39 H TRP 39 5.352 3.126 -8.156 302 HA TRP 39 HA TRP 39 4.805 3.742 -10.789 303 HB2 TRP 39 2HB TRP 39 3.549 2.036 -9.635 304 HB3 TRP 39 3HB TRP 39 2.888 3.220 -8.509 305 HD1 TRP 39 HD1 TRP 39 0.609 4.235 -9.132 306 HE1 TRP 39 HE1 TRP 39 -0.892 4.216 -11.223 307 HE3 TRP 39 HE3 TRP 39 3.807 1.955 -12.405 308 HZ2 TRP 39 HZ2 TRP 39 -0.740 3.349 -13.905 309 HZ3 TRP 39 HZ3 TRP 39 3.052 1.568 -14.714 310 HH2 TRP 39 HH2 TRP 39 0.825 2.250 -15.447 311 H GLN 40 H GLN 40 4.308 5.674 -7.928 312 HA GLN 40 HA GLN 40 2.529 7.568 -9.062 313 HB2 GLN 40 2HB GLN 40 4.397 7.689 -6.698 314 HB3 GLN 40 3HB GLN 40 3.345 9.025 -7.145 315 HG2 GLN 40 2HG GLN 40 2.347 6.253 -6.551 316 HG3 GLN 40 3HG GLN 40 2.476 7.528 -5.341 317 HE21 GLN 40 1HE2 GLN 40 1.470 9.677 -6.203 318 HE22 GLN 40 2HE2 GLN 40 -0.119 9.512 -6.859 319 H ASP 41 H ASP 41 6.048 7.625 -8.531 320 HA ASP 41 HA ASP 41 6.542 10.139 -9.642 321 HB2 ASP 41 2HB ASP 41 8.130 8.603 -8.324 322 HB3 ASP 41 3HB ASP 41 8.466 7.834 -9.873 323 H TRP 42 H TRP 42 5.824 7.111 -11.141 324 HA TRP 42 HA TRP 42 6.913 7.693 -13.708 325 HB2 TRP 42 2HB TRP 42 6.539 5.401 -13.184 326 HB3 TRP 42 3HB TRP 42 4.859 5.701 -12.750 327 HD1 TRP 42 HD1 TRP 42 3.471 4.435 -14.496 328 HE1 TRP 42 HE1 TRP 42 3.423 4.311 -17.066 329 HE3 TRP 42 HE3 TRP 42 7.612 7.252 -15.523 330 HZ2 TRP 42 HZ2 TRP 42 4.939 5.278 -19.242 331 HZ3 TRP 42 HZ3 TRP 42 8.245 7.604 -17.875 332 HH2 TRP 42 HH2 TRP 42 6.935 6.636 -19.694 333 H LEU 43 H LEU 43 3.953 8.487 -12.087 334 HA LEU 43 HA LEU 43 2.615 9.288 -14.537 335 HB2 LEU 43 2HB LEU 43 1.686 9.771 -11.719 336 HB3 LEU 43 3HB LEU 43 0.717 9.739 -13.191 337 HG LEU 43 HG LEU 43 2.130 7.284 -12.198 338 HD11 LEU 43 1HD1 LEU 43 -0.125 8.652 -10.982 339 HD12 LEU 43 2HD1 LEU 43 0.843 7.307 -10.381 340 HD13 LEU 43 3HD1 LEU 43 -0.510 7.001 -11.469 341 HD21 LEU 43 3HD2 LEU 43 -0.388 7.615 -13.819 342 HD22 LEU 43 1HD2 LEU 43 0.512 6.127 -13.520 343 HD23 LEU 43 2HD2 LEU 43 1.217 7.398 -14.520 344 H LYS 44 H LYS 44 4.645 10.662 -12.157 345 HA LYS 44 HA LYS 44 3.751 13.373 -12.439 346 HB2 LYS 44 2HB LYS 44 4.810 12.851 -10.386 347 HB3 LYS 44 3HB LYS 44 6.179 12.097 -11.194 348 HG2 LYS 44 2HG LYS 44 6.797 14.248 -10.260 349 HG3 LYS 44 3HG LYS 44 6.897 14.279 -12.022 350 HD2 LYS 44 2HD LYS 44 5.072 15.666 -12.234 351 HD3 LYS 44 3HD LYS 44 4.368 15.149 -10.700 352 HE2 LYS 44 2HE LYS 44 6.928 16.716 -10.834 353 HE3 LYS 44 3HE LYS 44 5.351 17.505 -10.817 354 HZ1 LYS 44 3HZ LYS 44 6.636 15.903 -8.703 355 HZ2 LYS 44 1HZ LYS 44 4.953 16.074 -8.741 356 HZ3 LYS 44 2HZ LYS 44 5.939 17.441 -8.598 357 H GLN 45 H GLN 45 6.607 11.571 -13.572 358 HA GLN 45 HA GLN 45 7.611 13.719 -15.140 359 HB2 GLN 45 2HB GLN 45 9.181 12.098 -16.030 360 HB3 GLN 45 3HB GLN 45 9.033 11.888 -14.291 361 HG2 GLN 45 2HG GLN 45 7.840 9.904 -14.505 362 HG3 GLN 45 3HG GLN 45 7.412 10.234 -16.183 363 HE21 GLN 45 1HE2 GLN 45 9.064 10.057 -17.785 364 HE22 GLN 45 2HE2 GLN 45 10.418 9.016 -17.530 365 H GLN 46 H GLN 46 5.266 11.237 -15.681 366 HA GLN 46 HA GLN 46 5.323 11.105 -18.484 367 HB2 GLN 46 2HB GLN 46 3.740 10.046 -16.396 368 HB3 GLN 46 3HB GLN 46 2.635 10.838 -17.511 369 HG2 GLN 46 2HG GLN 46 3.635 9.541 -19.361 370 HG3 GLN 46 3HG GLN 46 4.633 8.692 -18.182 371 HE21 GLN 46 1HE2 GLN 46 1.215 9.643 -18.331 372 HE22 GLN 46 2HE2 GLN 46 0.587 8.067 -18.004 373 H THR 47 H THR 47 3.189 13.016 -16.359 374 HA THR 47 HA THR 47 2.072 14.496 -18.534 375 HB THR 47 HB THR 47 1.982 15.036 -15.560 376 HG1 THR 47 HG1 THR 47 0.089 13.924 -15.615 377 HG21 THR 47 3HG2 THR 47 -0.035 16.413 -16.195 378 HG22 THR 47 1HG2 THR 47 0.510 16.299 -17.868 379 HG23 THR 47 2HG2 THR 47 1.522 17.095 -16.663 380 H MET 48 H MET 48 4.823 14.878 -16.457 381 HA MET 48 HA MET 48 5.186 17.678 -16.887 382 HB2 MET 48 2HB MET 48 6.722 15.479 -15.623 383 HB3 MET 48 3HB MET 48 7.651 16.863 -16.183 384 HG2 MET 48 2HG MET 48 5.873 18.242 -14.885 385 HG3 MET 48 3HG MET 48 5.567 16.717 -14.056 386 HE1 MET 48 3HE MET 48 7.460 19.617 -14.754 387 HE2 MET 48 1HE MET 48 8.108 19.909 -13.140 388 HE3 MET 48 2HE MET 48 9.155 19.272 -14.408 389 H LEU 49 H LEU 49 6.062 14.791 -18.602 390 HA LEU 49 HA LEU 49 7.986 16.167 -20.289 391 HB2 LEU 49 2HB LEU 49 7.162 13.383 -19.812 392 HB3 LEU 49 3HB LEU 49 7.612 13.758 -21.475 393 HG LEU 49 HG LEU 49 9.553 14.741 -19.539 394 HD11 LEU 49 1HD1 LEU 49 9.052 12.892 -18.184 395 HD12 LEU 49 2HD1 LEU 49 10.448 12.396 -19.141 396 HD13 LEU 49 3HD1 LEU 49 8.836 11.825 -19.572 397 HD21 LEU 49 3HD2 LEU 49 9.802 14.524 -22.029 398 HD22 LEU 49 1HD2 LEU 49 9.867 12.776 -21.799 399 HD23 LEU 49 2HD2 LEU 49 11.104 13.807 -21.079 400 H ILE 50 H ILE 50 4.709 14.899 -20.468 401 HA ILE 50 HA ILE 50 4.361 15.266 -23.256 402 HB ILE 50 HB ILE 50 2.294 15.164 -21.057 403 HG12 ILE 50 2HG1 ILE 50 2.856 12.953 -22.997 404 HG13 ILE 50 3HG1 ILE 50 3.919 13.167 -21.610 405 HG21 ILE 50 1HG2 ILE 50 1.993 14.989 -24.050 406 HG22 ILE 50 2HG2 ILE 50 0.726 14.584 -22.893 407 HG23 ILE 50 3HG2 ILE 50 1.342 16.234 -22.983 408 HD11 ILE 50 3HD1 ILE 50 1.310 13.272 -20.603 409 HD12 ILE 50 1HD1 ILE 50 1.343 11.934 -21.752 410 HD13 ILE 50 2HD1 ILE 50 2.493 11.978 -20.415 411 H ASN 51 H ASN 51 3.817 17.328 -20.454 412 HA ASN 51 HA ASN 51 2.516 19.405 -21.936 413 HB2 ASN 51 2HB ASN 51 3.597 19.152 -19.147 414 HB3 ASN 51 3HB ASN 51 3.123 20.730 -19.768 415 HD21 ASN 51 1HD2 ASN 51 1.851 17.413 -19.769 416 HD22 ASN 51 2HD2 ASN 51 0.238 17.853 -19.337 417 H GLU 52 H GLU 52 5.794 18.856 -20.720 418 HA GLU 52 HA GLU 52 6.834 21.364 -21.536 419 HB2 GLU 52 2HB GLU 52 8.004 20.118 -19.856 420 HB3 GLU 52 3HB GLU 52 8.168 18.728 -20.920 421 HG2 GLU 52 2HG GLU 52 9.843 19.703 -22.162 422 HG3 GLU 52 3HG GLU 52 9.370 21.339 -21.711 423 H ASN 53 H ASN 53 7.293 18.114 -22.940 424 HA ASN 53 HA ASN 53 8.470 19.129 -25.329 425 HB2 ASN 53 2HB ASN 53 7.372 16.409 -24.602 426 HB3 ASN 53 3HB ASN 53 8.145 16.758 -26.146 427 HD21 ASN 53 1HD2 ASN 53 8.649 16.795 -22.660 428 HD22 ASN 53 2HD2 ASN 53 10.356 16.534 -22.722 429 H ARG 54 H ARG 54 5.256 18.774 -24.253 430 HA ARG 54 HA ARG 54 3.237 19.162 -25.223 431 HB2 ARG 54 2HB ARG 54 4.831 20.295 -27.527 432 HB3 ARG 54 3HB ARG 54 3.143 20.617 -27.155 433 HG2 ARG 54 2HG ARG 54 5.349 21.301 -25.242 434 HG3 ARG 54 3HG ARG 54 4.840 22.399 -26.527 435 HD2 ARG 54 2HD ARG 54 2.589 22.445 -25.641 436 HD3 ARG 54 3HD ARG 54 3.018 21.253 -24.416 437 HE ARG 54 HE ARG 54 4.751 23.367 -24.061 438 HH11 ARG 54 1HH1 ARG 54 1.307 22.863 -23.987 439 HH12 ARG 54 2HH1 ARG 54 1.018 24.113 -22.823 440 HH21 ARG 54 1HH2 ARG 54 4.383 25.016 -22.529 441 HH22 ARG 54 2HH2 ARG 54 2.768 25.338 -21.995 442 H LEU 55 H LEU 55 4.143 16.607 -25.474 443 HA LEU 55 HA LEU 55 4.073 15.674 -28.175 444 HB2 LEU 55 2HB LEU 55 3.637 14.093 -25.648 445 HB3 LEU 55 3HB LEU 55 4.095 13.462 -27.229 446 HG LEU 55 HG LEU 55 5.805 15.198 -25.448 447 HD11 LEU 55 1HD1 LEU 55 7.118 13.253 -25.055 448 HD12 LEU 55 2HD1 LEU 55 6.184 12.312 -26.217 449 HD13 LEU 55 3HD1 LEU 55 5.441 12.834 -24.706 450 HD21 LEU 55 3HD2 LEU 55 6.246 14.041 -28.188 451 HD22 LEU 55 1HD2 LEU 55 7.574 14.529 -27.136 452 HD23 LEU 55 2HD2 LEU 55 6.390 15.722 -27.671 453 H ASN 56 H ASN 56 2.445 13.705 -28.536 454 HA ASN 56 HA ASN 56 -0.253 14.734 -27.948 455 HB2 ASN 56 2HB ASN 56 0.266 15.043 -30.301 456 HB3 ASN 56 3HB ASN 56 0.744 13.355 -30.449 457 HD21 ASN 56 1HD2 ASN 56 -0.733 12.738 -31.937 458 HD22 ASN 56 2HD2 ASN 56 -2.437 12.716 -31.654 459 H MET 57 H MET 57 -0.515 13.414 -26.127 460 HA MET 57 HA MET 57 0.031 10.722 -25.882 461 HB2 MET 57 2HB MET 57 -2.349 12.194 -24.736 462 HB3 MET 57 3HB MET 57 -1.709 10.663 -24.153 463 HG2 MET 57 2HG MET 57 0.341 11.723 -23.475 464 HG3 MET 57 3HG MET 57 -0.178 13.252 -24.180 465 HE1 MET 57 3HE MET 57 -3.397 13.741 -22.727 466 HE2 MET 57 1HE MET 57 -2.349 14.931 -21.952 467 HE3 MET 57 2HE MET 57 -2.071 14.473 -23.633 468 H ALA 58 H ALA 58 -2.615 12.292 -27.545 469 HA ALA 58 HA ALA 58 -4.388 10.171 -27.830 470 HB1 ALA 58 1HB ALA 58 -4.153 11.819 -30.227 471 HB2 ALA 58 2HB ALA 58 -5.524 11.580 -29.143 472 HB3 ALA 58 3HB ALA 58 -4.272 12.754 -28.737 473 H ASP 59 H ASP 59 -1.363 10.807 -29.443 474 HA ASP 59 HA ASP 59 -1.805 8.511 -31.225 475 HB2 ASP 59 2HB ASP 59 -0.116 10.965 -31.398 476 HB3 ASP 59 3HB ASP 59 0.460 9.504 -32.195 477 HA PRO 60 HA PRO 60 1.103 5.971 -29.146 478 HB2 PRO 60 2HB PRO 60 2.390 4.749 -31.200 479 HB3 PRO 60 3HB PRO 60 0.720 4.377 -30.757 480 HG2 PRO 60 2HG PRO 60 1.751 6.148 -32.940 481 HG3 PRO 60 3HG PRO 60 0.425 4.971 -32.985 482 HD2 PRO 60 2HD PRO 60 0.002 7.633 -32.727 483 HD3 PRO 60 3HD PRO 60 -1.064 6.420 -31.988 484 H ARG 61 H ARG 61 2.197 8.439 -31.258 485 HA ARG 61 HA ARG 61 4.961 8.119 -31.195 486 HB2 ARG 61 2HB ARG 61 3.239 10.591 -31.313 487 HB3 ARG 61 3HB ARG 61 4.993 10.660 -31.415 488 HG2 ARG 61 2HG ARG 61 3.229 9.100 -33.291 489 HG3 ARG 61 3HG ARG 61 3.876 10.710 -33.614 490 HD2 ARG 61 2HD ARG 61 6.158 9.812 -33.386 491 HD3 ARG 61 3HD ARG 61 5.483 8.204 -33.126 492 HE ARG 61 HE ARG 61 4.419 8.986 -35.503 493 HH11 ARG 61 1HH1 ARG 61 7.656 8.753 -34.244 494 HH12 ARG 61 2HH1 ARG 61 8.373 8.423 -35.787 495 HH21 ARG 61 1HH2 ARG 61 5.350 8.554 -37.540 496 HH22 ARG 61 2HH2 ARG 61 7.060 8.311 -37.661 497 H ALA 62 H ALA 62 2.808 9.711 -28.876 498 HA ALA 62 HA ALA 62 4.923 10.563 -27.152 499 HB1 ALA 62 1HB ALA 62 3.012 10.956 -25.533 500 HB2 ALA 62 2HB ALA 62 2.943 11.836 -27.060 501 HB3 ALA 62 3HB ALA 62 1.940 10.406 -26.821 502 H ARG 63 H ARG 63 2.871 7.732 -27.369 503 HA ARG 63 HA ARG 63 3.565 6.695 -24.793 504 HB2 ARG 63 2HB ARG 63 2.228 5.501 -27.216 505 HB3 ARG 63 3HB ARG 63 2.573 4.553 -25.775 506 HG2 ARG 63 2HG ARG 63 0.625 5.220 -24.963 507 HG3 ARG 63 3HG ARG 63 1.294 6.849 -24.845 508 HD2 ARG 63 2HD ARG 63 -0.502 7.315 -26.155 509 HD3 ARG 63 3HD ARG 63 0.640 6.873 -27.424 510 HE ARG 63 HE ARG 63 -0.595 4.981 -27.841 511 HH11 ARG 63 1HH1 ARG 63 -1.634 6.419 -24.846 512 HH12 ARG 63 2HH1 ARG 63 -3.026 5.399 -24.688 513 HH21 ARG 63 1HH2 ARG 63 -2.424 3.632 -27.645 514 HH22 ARG 63 2HH2 ARG 63 -3.473 3.813 -26.281 515 H GLN 64 H GLN 64 5.016 6.662 -27.912 516 HA GLN 64 HA GLN 64 6.709 4.374 -27.313 517 HB2 GLN 64 2HB GLN 64 5.800 4.740 -29.602 518 HB3 GLN 64 3HB GLN 64 6.757 6.211 -29.712 519 HG2 GLN 64 2HG GLN 64 7.679 4.099 -30.801 520 HG3 GLN 64 3HG GLN 64 8.767 5.047 -29.789 521 HE21 GLN 64 1HE2 GLN 64 10.106 3.642 -28.889 522 HE22 GLN 64 2HE2 GLN 64 9.644 2.207 -28.045 523 H TYR 65 H TYR 65 6.796 7.820 -27.169 524 HA TYR 65 HA TYR 65 9.687 7.961 -27.024 525 HB2 TYR 65 2HB TYR 65 8.668 9.825 -28.083 526 HB3 TYR 65 3HB TYR 65 7.492 10.016 -26.788 527 HD1 TYR 65 HD2 TYR 65 11.043 10.462 -27.698 528 HD2 TYR 65 HD1 TYR 65 8.001 11.289 -24.841 529 HE1 TYR 65 HE2 TYR 65 12.519 12.100 -26.608 530 HE2 TYR 65 HE1 TYR 65 9.468 12.930 -23.744 531 HH TYR 65 HH TYR 65 11.443 14.369 -24.413 532 H LEU 66 H LEU 66 6.934 8.002 -24.857 533 HA LEU 66 HA LEU 66 8.227 8.907 -22.535 534 HB2 LEU 66 2HB LEU 66 5.764 7.355 -23.124 535 HB3 LEU 66 3HB LEU 66 6.365 7.350 -21.467 536 HG LEU 66 HG LEU 66 5.789 9.889 -22.977 537 HD11 LEU 66 1HD1 LEU 66 3.633 9.967 -21.916 538 HD12 LEU 66 2HD1 LEU 66 3.936 8.436 -21.097 539 HD13 LEU 66 3HD1 LEU 66 3.760 8.477 -22.851 540 HD21 LEU 66 3HD2 LEU 66 5.414 10.014 -20.156 541 HD22 LEU 66 1HD2 LEU 66 6.580 10.879 -21.158 542 HD23 LEU 66 2HD2 LEU 66 6.993 9.300 -20.488 543 H MET 67 H MET 67 7.989 5.721 -23.998 544 HA MET 67 HA MET 67 8.886 4.148 -21.888 545 HB2 MET 67 2HB MET 67 8.842 3.904 -24.839 546 HB3 MET 67 3HB MET 67 9.965 2.849 -23.992 547 HG2 MET 67 2HG MET 67 7.978 2.199 -22.530 548 HG3 MET 67 3HG MET 67 6.982 2.975 -23.759 549 HE1 MET 67 3HE MET 67 6.712 2.415 -25.969 550 HE2 MET 67 1HE MET 67 7.037 0.868 -26.750 551 HE3 MET 67 2HE MET 67 5.789 0.983 -25.509 552 H LYS 68 H LYS 68 10.662 6.193 -24.107 553 HA LYS 68 HA LYS 68 13.249 5.209 -23.391 554 HB2 LYS 68 2HB LYS 68 12.486 7.830 -24.692 555 HB3 LYS 68 3HB LYS 68 14.101 7.134 -24.640 556 HG2 LYS 68 2HG LYS 68 11.928 5.498 -25.825 557 HG3 LYS 68 3HG LYS 68 12.526 6.880 -26.746 558 HD2 LYS 68 2HD LYS 68 14.035 5.375 -27.496 559 HD3 LYS 68 3HD LYS 68 14.862 5.773 -25.988 560 HE2 LYS 68 2HE LYS 68 14.842 3.498 -25.821 561 HE3 LYS 68 3HE LYS 68 13.301 3.861 -25.045 562 HZ1 LYS 68 3HZ LYS 68 12.411 3.622 -27.464 563 HZ2 LYS 68 1HZ LYS 68 12.694 2.244 -26.523 564 HZ3 LYS 68 2HZ LYS 68 13.819 2.713 -27.696 565 H GLN 69 H GLN 69 11.030 7.401 -21.979 566 HA GLN 69 HA GLN 69 13.039 8.827 -20.449 567 HB2 GLN 69 2HB GLN 69 10.059 8.945 -20.030 568 HB3 GLN 69 3HB GLN 69 11.264 10.155 -19.611 569 HG2 GLN 69 2HG GLN 69 10.490 9.366 -22.410 570 HG3 GLN 69 3HG GLN 69 9.920 10.798 -21.554 571 HE21 GLN 69 1HE2 GLN 69 12.108 11.790 -20.389 572 HE22 GLN 69 2HE2 GLN 69 13.296 12.227 -21.565 573 H THR 70 H THR 70 11.092 6.022 -20.140 574 HA THR 70 HA THR 70 11.290 5.955 -17.236 575 HB THR 70 HB THR 70 10.327 3.532 -18.597 576 HG1 THR 70 HG1 THR 70 9.317 4.792 -20.044 577 HG21 THR 70 3HG2 THR 70 9.204 5.353 -16.466 578 HG22 THR 70 1HG2 THR 70 10.063 3.835 -16.210 579 HG23 THR 70 2HG2 THR 70 8.474 3.831 -16.977 580 H GLU 71 H GLU 71 12.407 4.045 -20.021 581 HA GLU 71 HA GLU 71 13.894 2.169 -18.541 582 HB2 GLU 71 2HB GLU 71 13.229 1.848 -20.898 583 HB3 GLU 71 3HB GLU 71 14.351 3.114 -21.376 584 HG2 GLU 71 2HG GLU 71 16.152 1.674 -20.267 585 HG3 GLU 71 3HG GLU 71 14.953 0.383 -20.309 586 H LYS 72 H LYS 72 15.103 4.917 -20.472 587 HA LYS 72 HA LYS 72 17.741 4.801 -19.569 588 HB2 LYS 72 2HB LYS 72 16.270 6.403 -21.316 589 HB3 LYS 72 3HB LYS 72 16.878 7.522 -20.103 590 HG2 LYS 72 2HG LYS 72 18.881 5.629 -21.071 591 HG3 LYS 72 3HG LYS 72 18.236 6.698 -22.318 592 HD2 LYS 72 2HD LYS 72 19.362 8.446 -21.513 593 HD3 LYS 72 3HD LYS 72 18.796 8.137 -19.870 594 HE2 LYS 72 2HE LYS 72 20.612 6.124 -20.256 595 HE3 LYS 72 3HE LYS 72 21.339 7.461 -21.146 596 HZ1 LYS 72 3HZ LYS 72 21.594 7.069 -18.502 597 HZ2 LYS 72 1HZ LYS 72 20.314 8.175 -18.544 598 HZ3 LYS 72 2HZ LYS 72 21.791 8.564 -19.270 599 H TYR 73 H TYR 73 14.916 5.841 -17.962 600 HA TYR 73 HA TYR 73 15.885 7.802 -16.235 601 HB2 TYR 73 2HB TYR 73 13.487 6.481 -16.576 602 HB3 TYR 73 3HB TYR 73 13.997 5.955 -14.975 603 HD1 TYR 73 HD2 TYR 73 14.227 9.209 -16.809 604 HD2 TYR 73 HD1 TYR 73 12.881 7.139 -13.344 605 HE1 TYR 73 HE2 TYR 73 13.421 11.331 -15.862 606 HE2 TYR 73 HE1 TYR 73 12.070 9.255 -12.388 607 HH TYR 73 HH TYR 73 12.193 12.269 -14.229 608 H PHE 74 H PHE 74 15.309 4.407 -15.307 609 HA PHE 74 HA PHE 74 17.344 4.663 -13.234 610 HB2 PHE 74 2HB PHE 74 15.293 3.681 -12.485 611 HB3 PHE 74 3HB PHE 74 15.282 2.538 -13.824 612 HD1 PHE 74 HD1 PHE 74 17.521 3.537 -11.009 613 HD2 PHE 74 HD2 PHE 74 15.894 0.382 -13.358 614 HE1 PHE 74 HE1 PHE 74 18.698 1.892 -9.608 615 HE2 PHE 74 HE2 PHE 74 17.066 -1.268 -11.960 616 HZ PHE 74 HZ PHE 74 18.470 -0.514 -10.082 617 H PHE 75 H PHE 75 16.556 2.519 -15.959 618 HA PHE 75 HA PHE 75 18.903 0.956 -15.771 619 HB2 PHE 75 2HB PHE 75 17.194 1.462 -18.216 620 HB3 PHE 75 3HB PHE 75 18.311 0.121 -17.981 621 HD1 PHE 75 HD2 PHE 75 17.731 -0.800 -15.306 622 HD2 PHE 75 HD1 PHE 75 15.070 0.584 -18.326 623 HE1 PHE 75 HE2 PHE 75 15.918 -2.137 -14.316 624 HE2 PHE 75 HE1 PHE 75 13.253 -0.749 -17.341 625 HZ PHE 75 HZ PHE 75 13.676 -2.113 -15.334 626 H GLY 76 H GLY 76 18.146 3.958 -17.416 627 HA2 GLY 76 2HA GLY 76 19.427 5.345 -18.745 628 HA3 GLY 76 3HA GLY 76 20.653 5.005 -17.533 629 H GLU 77 H GLU 77 19.213 2.859 -19.967 630 HA GLU 77 HA GLU 77 21.556 1.554 -20.644 631 HB2 GLU 77 2HB GLU 77 20.355 1.066 -22.846 632 HB3 GLU 77 3HB GLU 77 19.550 0.564 -21.366 633 HG2 GLU 77 2HG GLU 77 17.850 2.021 -21.630 634 HG3 GLU 77 3HG GLU 77 18.875 3.254 -22.363 635 H GLY 78 H GLY 78 20.465 4.697 -21.563 636 HA2 GLY 78 2HA GLY 78 22.317 6.177 -22.314 637 HA3 GLY 78 3HA GLY 78 22.729 4.903 -23.452 638 H ALA 79 H ALA 79 20.529 4.208 -24.693 639 HA ALA 79 HA ALA 79 20.034 6.180 -26.556 640 HB1 ALA 79 1HB ALA 79 18.457 4.764 -27.495 641 HB2 ALA 79 2HB ALA 79 19.493 3.651 -26.601 642 HB3 ALA 79 3HB ALA 79 17.937 4.139 -25.930 643 H ASP 80 H ASP 80 19.168 8.120 -26.255 644 HA ASP 80 HA ASP 80 16.558 8.368 -25.039 645 HB2 ASP 80 2HB ASP 80 17.171 9.987 -23.362 646 HB3 ASP 80 3HB ASP 80 18.141 8.538 -23.113 647 H GLN 81 H GLN 81 15.434 10.139 -25.763 648 HA GLN 81 HA GLN 81 16.873 12.066 -27.446 649 HB2 GLN 81 2HB GLN 81 14.869 11.950 -29.025 650 HB3 GLN 81 3HB GLN 81 16.006 10.609 -29.077 651 HG2 GLN 81 2HG GLN 81 14.539 9.152 -28.040 652 HG3 GLN 81 3HG GLN 81 13.575 10.456 -27.350 653 HE21 GLN 81 1HE2 GLN 81 12.423 8.335 -28.682 654 HE22 GLN 81 2HE2 GLN 81 11.725 8.900 -30.158 655 H ALA 82 H ALA 82 15.353 13.928 -28.067 656 HA ALA 82 HA ALA 82 13.079 14.530 -26.539 657 HB1 ALA 82 1HB ALA 82 15.670 15.594 -25.434 658 HB2 ALA 82 2HB ALA 82 14.089 16.268 -25.039 659 HB3 ALA 82 3HB ALA 82 14.468 14.601 -24.608 660 H SER 83 H SER 83 12.035 15.941 -27.767 661 HA SER 83 HA SER 83 13.206 18.365 -28.692 662 HB2 SER 83 2HB SER 83 13.262 17.999 -31.038 663 HB3 SER 83 3HB SER 83 14.096 16.617 -30.328 664 HG SER 83 HG SER 83 12.626 15.908 -31.883 665 H GLY 84 H GLY 84 11.672 19.797 -29.612 666 HA2 GLY 84 2HA GLY 84 9.147 19.362 -30.502 667 HA3 GLY 84 3HA GLY 84 8.970 19.249 -28.757 668 H TYR 85 H TYR 85 7.501 21.101 -29.173 669 HA TYR 85 HA TYR 85 8.390 23.593 -30.080 670 HB2 TYR 85 2HB TYR 85 5.987 22.666 -29.416 671 HB3 TYR 85 3HB TYR 85 6.356 23.484 -27.902 672 HD1 TYR 85 HD2 TYR 85 6.899 24.317 -31.510 673 HD2 TYR 85 HD1 TYR 85 5.281 25.514 -27.762 674 HE1 TYR 85 HE2 TYR 85 6.199 26.456 -32.502 675 HE2 TYR 85 HE1 TYR 85 4.575 27.656 -28.744 676 HH TYR 85 HH TYR 85 4.107 28.268 -31.678 677 H VAL 86 H VAL 86 8.397 25.586 -28.586 678 HA VAL 86 HA VAL 86 10.677 25.585 -27.034 679 HB VAL 86 HB VAL 86 9.689 27.686 -25.960 680 HG11 VAL 86 1HG1 VAL 86 10.571 28.846 -27.666 681 HG12 VAL 86 2HG1 VAL 86 10.926 27.258 -28.350 682 HG13 VAL 86 3HG1 VAL 86 9.476 28.131 -28.848 683 HG21 VAL 86 3HG2 VAL 86 7.554 27.314 -28.049 684 HG22 VAL 86 1HG2 VAL 86 7.318 26.922 -26.346 685 HG23 VAL 86 2HG2 VAL 86 7.670 28.581 -26.828 686 HA PRO 87 HA PRO 87 9.688 23.856 -23.122 687 HB2 PRO 87 2HB PRO 87 11.185 25.392 -21.459 688 HB3 PRO 87 3HB PRO 87 11.887 24.189 -22.547 689 HG2 PRO 87 2HG PRO 87 11.664 27.154 -22.893 690 HG3 PRO 87 3HG PRO 87 13.035 26.086 -23.246 691 HD2 PRO 87 2HD PRO 87 11.357 26.988 -25.171 692 HD3 PRO 87 3HD PRO 87 12.143 25.399 -25.257 693 HA PRO 88 HA PRO 88 6.535 26.082 -21.015 694 HB2 PRO 88 2HB PRO 88 6.882 25.317 -18.434 695 HB3 PRO 88 3HB PRO 88 6.245 24.236 -19.678 696 HG2 PRO 88 2HG PRO 88 9.023 24.431 -18.581 697 HG3 PRO 88 3HG PRO 88 8.064 22.986 -18.948 698 HD2 PRO 88 2HD PRO 88 9.991 23.916 -20.608 699 HD3 PRO 88 3HD PRO 88 8.535 23.092 -21.202 700 H ALA 89 H ALA 89 6.196 27.406 -18.850 701 HA ALA 89 HA ALA 89 8.513 29.189 -18.486 702 HB1 ALA 89 1HB ALA 89 5.636 29.938 -18.943 703 HB2 ALA 89 2HB ALA 89 6.820 31.056 -18.264 704 HB3 ALA 89 3HB ALA 89 7.051 30.405 -19.887 705 H GLN 90 H GLN 90 9.175 28.674 -16.479 706 HA GLN 90 HA GLN 90 7.159 28.729 -14.331 707 HB2 GLN 90 2HB GLN 90 9.498 26.926 -14.780 708 HB3 GLN 90 3HB GLN 90 9.027 27.306 -13.129 709 HG2 GLN 90 2HG GLN 90 6.960 26.266 -13.345 710 HG3 GLN 90 3HG GLN 90 7.019 26.307 -15.106 711 HE21 GLN 90 1HE2 GLN 90 6.346 23.989 -14.366 712 HE22 GLN 90 2HE2 GLN 90 7.641 22.847 -14.321 713 H GLY 91 H GLY 91 8.122 29.304 -12.163 714 HA2 GLY 91 2HA GLY 91 9.704 30.499 -10.869 715 HA3 GLY 91 3HA GLY 91 10.442 31.081 -12.354 Start of MODEL 3 1 H1 MET 1 H MET 1 6.372 1.117 5.466 2 HA MET 1 HA MET 1 8.864 1.317 3.959 3 HB2 MET 1 2HB MET 1 8.606 -0.368 5.788 4 HB3 MET 1 3HB MET 1 7.369 -1.163 4.823 5 HG2 MET 1 2HG MET 1 9.303 -2.392 4.424 6 HG3 MET 1 3HG MET 1 9.140 -1.356 3.008 7 HE1 MET 1 3HE MET 1 12.063 -0.621 6.480 8 HE2 MET 1 1HE MET 1 10.361 -1.063 6.621 9 HE3 MET 1 2HE MET 1 11.541 -2.260 6.090 10 H ALA 2 H ALA 2 8.802 1.487 1.825 11 HA ALA 2 HA ALA 2 6.389 0.770 0.369 12 HB1 ALA 2 1HB ALA 2 8.877 2.286 -0.337 13 HB2 ALA 2 2HB ALA 2 7.745 1.751 -1.580 14 HB3 ALA 2 3HB ALA 2 7.204 2.845 -0.308 15 H ARG 3 H ARG 3 9.788 0.365 -0.585 16 HA ARG 3 HA ARG 3 9.517 -2.500 -0.790 17 HB2 ARG 3 2HB ARG 3 8.635 -1.114 -2.959 18 HB3 ARG 3 3HB ARG 3 10.330 -1.334 -3.372 19 HG2 ARG 3 2HG ARG 3 9.466 -3.222 -4.293 20 HG3 ARG 3 3HG ARG 3 9.814 -3.825 -2.671 21 HD2 ARG 3 2HD ARG 3 7.411 -3.090 -2.116 22 HD3 ARG 3 3HD ARG 3 7.180 -3.028 -3.862 23 HE ARG 3 HE ARG 3 8.206 -5.488 -3.498 24 HH11 ARG 3 1HH1 ARG 3 5.589 -3.779 -1.966 25 HH12 ARG 3 2HH1 ARG 3 4.677 -5.213 -1.628 26 HH21 ARG 3 1HH2 ARG 3 7.016 -7.383 -3.059 27 HH22 ARG 3 2HH2 ARG 3 5.490 -7.263 -2.249 28 H MET 4 H MET 4 11.614 -3.111 -2.408 29 HA MET 4 HA MET 4 13.901 -1.578 -1.397 30 HB2 MET 4 2HB MET 4 15.056 -3.833 -1.024 31 HB3 MET 4 3HB MET 4 13.862 -3.332 0.165 32 HG2 MET 4 2HG MET 4 12.193 -4.756 -0.975 33 HG3 MET 4 3HG MET 4 13.465 -5.318 -2.058 34 HE1 MET 4 3HE MET 4 11.643 -5.449 1.029 35 HE2 MET 4 1HE MET 4 12.298 -6.797 1.959 36 HE3 MET 4 2HE MET 4 12.980 -5.181 2.148 37 H ILE 5 H ILE 5 14.549 -0.776 -3.330 38 HA ILE 5 HA ILE 5 15.451 -2.733 -5.322 39 HB ILE 5 HB ILE 5 14.602 -1.491 -7.165 40 HG12 ILE 5 2HG1 ILE 5 12.964 0.516 -6.104 41 HG13 ILE 5 3HG1 ILE 5 14.479 0.654 -5.219 42 HG21 ILE 5 1HG2 ILE 5 12.997 -2.999 -6.190 43 HG22 ILE 5 2HG2 ILE 5 12.487 -1.767 -5.036 44 HG23 ILE 5 3HG2 ILE 5 12.161 -1.553 -6.756 45 HD11 ILE 5 3HD1 ILE 5 14.396 0.508 -8.211 46 HD12 ILE 5 1HD1 ILE 5 14.233 2.029 -7.334 47 HD13 ILE 5 2HD1 ILE 5 15.703 1.070 -7.169 48 H HIS 6 H HIS 6 16.881 -1.606 -7.005 49 HA HIS 6 HA HIS 6 18.710 0.181 -5.560 50 HB2 HIS 6 2HB HIS 6 20.350 -0.542 -7.367 51 HB3 HIS 6 3HB HIS 6 19.851 -1.788 -6.227 52 HD1 HIS 6 HD1 HIS 6 18.177 -3.608 -7.136 53 HD2 HIS 6 HD2 HIS 6 19.714 -1.028 -10.008 54 HE1 HIS 6 HE1 HIS 6 17.680 -4.693 -9.350 55 H CYS 7 H CYS 7 17.943 2.203 -5.979 56 HA CYS 7 HA CYS 7 16.727 3.220 -8.187 57 HB2 CYS 7 2HB CYS 7 18.009 5.405 -7.587 58 HB3 CYS 7 3HB CYS 7 16.898 4.713 -6.411 59 HG CYS 7 HG CYS 7 18.825 3.646 -4.775 60 H ALA 8 H ALA 8 17.292 2.831 -10.234 61 HA ALA 8 HA ALA 8 20.010 2.576 -11.086 62 HB1 ALA 8 1HB ALA 8 18.167 3.025 -13.256 63 HB2 ALA 8 2HB ALA 8 19.094 1.580 -12.848 64 HB3 ALA 8 3HB ALA 8 17.518 1.856 -12.105 65 H LYS 9 H LYS 9 17.994 5.221 -10.523 66 HA LYS 9 HA LYS 9 18.969 6.969 -12.563 67 HB2 LYS 9 2HB LYS 9 16.805 7.101 -11.058 68 HB3 LYS 9 3HB LYS 9 17.867 7.999 -9.982 69 HG2 LYS 9 2HG LYS 9 17.914 8.844 -12.799 70 HG3 LYS 9 3HG LYS 9 16.397 9.119 -11.939 71 HD2 LYS 9 2HD LYS 9 19.015 9.917 -10.719 72 HD3 LYS 9 3HD LYS 9 18.216 10.960 -11.898 73 HE2 LYS 9 2HE LYS 9 16.211 11.001 -10.496 74 HE3 LYS 9 3HE LYS 9 17.006 9.953 -9.323 75 HZ1 LYS 9 3HZ LYS 9 17.517 12.782 -9.930 76 HZ2 LYS 9 1HZ LYS 9 18.780 11.827 -9.333 77 HZ3 LYS 9 2HZ LYS 9 17.364 12.018 -8.429 78 H LEU 10 H LEU 10 20.209 5.849 -9.590 79 HA LEU 10 HA LEU 10 22.360 7.851 -9.736 80 HB2 LEU 10 2HB LEU 10 21.815 6.766 -7.069 81 HB3 LEU 10 3HB LEU 10 22.211 8.409 -7.567 82 HG LEU 10 HG LEU 10 19.469 7.191 -7.855 83 HD11 LEU 10 1HD1 LEU 10 19.034 7.602 -5.720 84 HD12 LEU 10 2HD1 LEU 10 19.680 9.238 -5.849 85 HD13 LEU 10 3HD1 LEU 10 20.757 7.893 -5.475 86 HD21 LEU 10 3HD2 LEU 10 20.469 9.323 -9.147 87 HD22 LEU 10 1HD2 LEU 10 19.916 10.102 -7.664 88 HD23 LEU 10 2HD2 LEU 10 18.780 9.187 -8.656 89 H GLY 11 H GLY 11 21.460 4.716 -8.288 90 HA2 GLY 11 2HA GLY 11 22.824 2.789 -9.090 91 HA3 GLY 11 3HA GLY 11 24.225 3.816 -8.821 92 H LYS 12 H LYS 12 21.624 3.995 -6.563 93 HA LYS 12 HA LYS 12 23.211 2.419 -4.643 94 HB2 LYS 12 2HB LYS 12 21.365 4.378 -3.489 95 HB3 LYS 12 3HB LYS 12 23.049 4.052 -3.099 96 HG2 LYS 12 2HG LYS 12 22.139 5.660 -5.475 97 HG3 LYS 12 3HG LYS 12 22.633 6.348 -3.927 98 HD2 LYS 12 2HD LYS 12 24.744 4.746 -4.446 99 HD3 LYS 12 3HD LYS 12 24.257 5.172 -6.089 100 HE2 LYS 12 2HE LYS 12 24.160 7.598 -5.062 101 HE3 LYS 12 3HE LYS 12 25.281 6.904 -3.892 102 HZ1 LYS 12 3HZ LYS 12 26.914 6.738 -5.418 103 HZ2 LYS 12 1HZ LYS 12 26.062 7.989 -6.175 104 HZ3 LYS 12 2HZ LYS 12 25.861 6.393 -6.697 105 H GLU 13 H GLU 13 21.394 2.358 -2.562 106 HA GLU 13 HA GLU 13 19.265 0.682 -3.709 107 HB2 GLU 13 2HB GLU 13 20.975 0.449 -1.310 108 HB3 GLU 13 3HB GLU 13 19.292 -0.008 -1.090 109 HG2 GLU 13 2HG GLU 13 19.480 -1.590 -2.943 110 HG3 GLU 13 3HG GLU 13 21.171 -1.139 -3.150 111 H ALA 14 H ALA 14 17.404 1.752 -3.825 112 HA ALA 14 HA ALA 14 16.593 3.385 -1.509 113 HB1 ALA 14 1HB ALA 14 16.354 3.951 -4.435 114 HB2 ALA 14 2HB ALA 14 15.192 4.639 -3.299 115 HB3 ALA 14 3HB ALA 14 16.910 5.002 -3.131 116 H GLU 15 H GLU 15 14.035 3.856 -1.919 117 HA GLU 15 HA GLU 15 12.833 1.225 -1.700 118 HB2 GLU 15 2HB GLU 15 11.493 3.915 -1.403 119 HB3 GLU 15 3HB GLU 15 10.894 2.361 -0.840 120 HG2 GLU 15 2HG GLU 15 13.138 4.013 0.250 121 HG3 GLU 15 3HG GLU 15 11.702 3.411 1.074 122 H GLY 16 H GLY 16 11.384 0.330 -3.086 123 HA2 GLY 16 2HA GLY 16 11.246 1.470 -5.743 124 HA3 GLY 16 3HA GLY 16 10.627 -0.097 -5.244 125 H LEU 17 H LEU 17 9.202 1.573 -6.941 126 HA LEU 17 HA LEU 17 7.291 3.151 -5.542 127 HB2 LEU 17 2HB LEU 17 7.009 1.919 -8.275 128 HB3 LEU 17 3HB LEU 17 6.131 3.308 -7.637 129 HG LEU 17 HG LEU 17 9.052 3.187 -8.377 130 HD11 LEU 17 1HD1 LEU 17 6.720 4.716 -9.523 131 HD12 LEU 17 2HD1 LEU 17 7.574 3.374 -10.284 132 HD13 LEU 17 3HD1 LEU 17 8.405 4.905 -10.011 133 HD21 LEU 17 3HD2 LEU 17 7.452 5.368 -7.051 134 HD22 LEU 17 1HD2 LEU 17 9.017 5.624 -7.822 135 HD23 LEU 17 2HD2 LEU 17 8.887 4.553 -6.427 136 H ASP 18 H ASP 18 7.409 -0.188 -6.627 137 HA ASP 18 HA ASP 18 6.127 -2.000 -6.127 138 HB2 ASP 18 2HB ASP 18 6.397 -1.067 -3.792 139 HB3 ASP 18 3HB ASP 18 4.827 -0.296 -3.999 140 H PHE 19 H PHE 19 5.259 -0.114 -8.113 141 HA PHE 19 HA PHE 19 2.517 -0.986 -8.353 142 HB2 PHE 19 2HB PHE 19 2.956 1.508 -7.211 143 HB3 PHE 19 3HB PHE 19 2.618 1.874 -8.899 144 HD1 PHE 19 HD2 PHE 19 1.296 -0.136 -6.057 145 HD2 PHE 19 HD1 PHE 19 0.430 2.067 -9.594 146 HE1 PHE 19 HE2 PHE 19 -1.112 -0.397 -5.626 147 HE2 PHE 19 HE1 PHE 19 -1.979 1.810 -9.169 148 HZ PHE 19 HZ PHE 19 -2.753 0.576 -7.183 149 HA PRO 20 HA PRO 20 3.770 -1.150 -12.572 150 HB2 PRO 20 2HB PRO 20 1.320 -1.359 -13.723 151 HB3 PRO 20 3HB PRO 20 2.088 -2.691 -12.850 152 HG2 PRO 20 2HG PRO 20 -0.006 -0.768 -11.912 153 HG3 PRO 20 3HG PRO 20 0.097 -2.520 -11.660 154 HD2 PRO 20 2HD PRO 20 0.818 -0.731 -9.760 155 HD3 PRO 20 3HD PRO 20 1.610 -2.311 -9.934 156 HA PRO 21 HA PRO 21 3.331 3.250 -13.488 157 HB2 PRO 21 2HB PRO 21 5.361 3.305 -15.290 158 HB3 PRO 21 3HB PRO 21 5.625 3.351 -13.542 159 HG2 PRO 21 2HG PRO 21 5.815 1.032 -15.426 160 HG3 PRO 21 3HG PRO 21 6.896 1.484 -14.095 161 HD2 PRO 21 2HD PRO 21 5.029 -0.462 -13.858 162 HD3 PRO 21 3HD PRO 21 5.516 0.565 -12.494 163 H LEU 22 H LEU 22 3.787 0.699 -15.925 164 HA LEU 22 HA LEU 22 1.550 1.733 -17.445 165 HB2 LEU 22 2HB LEU 22 4.376 1.846 -18.397 166 HB3 LEU 22 3HB LEU 22 3.083 1.545 -19.556 167 HG LEU 22 HG LEU 22 3.255 3.967 -17.765 168 HD11 LEU 22 1HD1 LEU 22 4.022 5.197 -19.643 169 HD12 LEU 22 2HD1 LEU 22 3.801 3.818 -20.720 170 HD13 LEU 22 3HD1 LEU 22 5.067 3.784 -19.494 171 HD21 LEU 22 3HD2 LEU 22 0.978 3.388 -18.403 172 HD22 LEU 22 1HD2 LEU 22 1.459 3.313 -20.099 173 HD23 LEU 22 2HD2 LEU 22 1.507 4.850 -19.236 174 HA PRO 23 HA PRO 23 0.928 -2.493 -18.449 175 HB2 PRO 23 2HB PRO 23 -0.121 -2.341 -20.948 176 HB3 PRO 23 3HB PRO 23 -1.012 -1.855 -19.501 177 HG2 PRO 23 2HG PRO 23 0.463 -0.158 -21.477 178 HG3 PRO 23 3HG PRO 23 -1.119 0.119 -20.727 179 HD2 PRO 23 2HD PRO 23 1.136 1.347 -19.867 180 HD3 PRO 23 3HD PRO 23 -0.193 0.915 -18.772 181 H GLY 24 H GLY 24 2.143 -4.146 -19.165 182 HA2 GLY 24 2HA GLY 24 3.238 -5.030 -21.280 183 HA3 GLY 24 3HA GLY 24 4.172 -3.543 -21.222 184 H GLU 25 H GLU 25 5.945 -5.195 -21.269 185 HA GLU 25 HA GLU 25 6.416 -6.561 -18.744 186 HB2 GLU 25 2HB GLU 25 8.120 -6.457 -21.240 187 HB3 GLU 25 3HB GLU 25 8.379 -7.511 -19.857 188 HG2 GLU 25 2HG GLU 25 6.252 -8.622 -20.297 189 HG3 GLU 25 3HG GLU 25 5.984 -7.562 -21.680 190 H LEU 26 H LEU 26 7.342 -3.667 -20.375 191 HA LEU 26 HA LEU 26 9.789 -3.185 -19.026 192 HB2 LEU 26 2HB LEU 26 9.452 -1.978 -21.002 193 HB3 LEU 26 3HB LEU 26 7.844 -1.451 -20.509 194 HG LEU 26 HG LEU 26 8.823 0.079 -18.888 195 HD11 LEU 26 1HD1 LEU 26 10.817 -1.232 -18.338 196 HD12 LEU 26 2HD1 LEU 26 11.225 0.428 -18.771 197 HD13 LEU 26 3HD1 LEU 26 11.487 -0.875 -19.930 198 HD21 LEU 26 3HD2 LEU 26 10.178 0.427 -21.557 199 HD22 LEU 26 1HD2 LEU 26 9.697 1.685 -20.418 200 HD23 LEU 26 2HD2 LEU 26 8.467 0.752 -21.272 201 H GLY 27 H GLY 27 6.433 -2.268 -18.375 202 HA2 GLY 27 2HA GLY 27 6.785 -0.488 -16.292 203 HA3 GLY 27 3HA GLY 27 5.419 -1.585 -16.430 204 H LYS 28 H LYS 28 6.413 -4.022 -16.004 205 HA LYS 28 HA LYS 28 6.689 -4.190 -13.242 206 HB2 LYS 28 2HB LYS 28 5.951 -6.055 -14.678 207 HB3 LYS 28 3HB LYS 28 7.584 -6.204 -15.312 208 HG2 LYS 28 2HG LYS 28 8.364 -6.689 -12.996 209 HG3 LYS 28 3HG LYS 28 6.673 -6.714 -12.490 210 HD2 LYS 28 2HD LYS 28 7.590 -8.421 -14.771 211 HD3 LYS 28 3HD LYS 28 7.860 -8.943 -13.106 212 HE2 LYS 28 2HE LYS 28 5.334 -8.399 -12.812 213 HE3 LYS 28 3HE LYS 28 5.285 -8.519 -14.570 214 HZ1 LYS 28 3HZ LYS 28 5.627 -10.602 -12.581 215 HZ2 LYS 28 1HZ LYS 28 6.616 -10.741 -13.947 216 HZ3 LYS 28 2HZ LYS 28 4.935 -10.678 -14.123 217 H ARG 29 H ARG 29 9.072 -3.659 -15.695 218 HA ARG 29 HA ARG 29 11.284 -4.241 -13.892 219 HB2 ARG 29 2HB ARG 29 11.296 -3.237 -16.745 220 HB3 ARG 29 3HB ARG 29 12.713 -3.726 -15.825 221 HG2 ARG 29 2HG ARG 29 11.863 -6.002 -15.697 222 HG3 ARG 29 3HG ARG 29 10.417 -5.519 -16.586 223 HD2 ARG 29 2HD ARG 29 11.933 -4.801 -18.456 224 HD3 ARG 29 3HD ARG 29 13.261 -5.556 -17.576 225 HE ARG 29 HE ARG 29 11.251 -6.876 -19.118 226 HH11 ARG 29 1HH1 ARG 29 13.370 -7.212 -16.376 227 HH12 ARG 29 2HH1 ARG 29 13.425 -8.941 -16.466 228 HH21 ARG 29 1HH2 ARG 29 11.316 -9.152 -19.247 229 HH22 ARG 29 2HH2 ARG 29 12.258 -10.044 -18.100 230 H LEU 30 H LEU 30 9.368 -1.593 -14.869 231 HA LEU 30 HA LEU 30 11.329 0.453 -14.392 232 HB2 LEU 30 2HB LEU 30 8.441 0.354 -15.060 233 HB3 LEU 30 3HB LEU 30 9.043 1.816 -14.280 234 HG LEU 30 HG LEU 30 10.039 0.668 -16.888 235 HD11 LEU 30 1HD1 LEU 30 8.188 2.935 -16.219 236 HD12 LEU 30 2HD1 LEU 30 7.917 1.577 -17.311 237 HD13 LEU 30 3HD1 LEU 30 9.058 2.848 -17.751 238 HD21 LEU 30 3HD2 LEU 30 10.983 3.171 -16.825 239 HD22 LEU 30 1HD2 LEU 30 11.894 1.784 -16.228 240 HD23 LEU 30 2HD2 LEU 30 11.011 2.811 -15.098 241 H TYR 31 H TYR 31 8.359 -0.553 -12.690 242 HA TYR 31 HA TYR 31 8.707 1.077 -10.444 243 HB2 TYR 31 2HB TYR 31 6.883 -0.002 -9.561 244 HB3 TYR 31 3HB TYR 31 6.697 -0.452 -11.253 245 HD1 TYR 31 HD1 TYR 31 7.601 -1.636 -7.904 246 HD2 TYR 31 HD2 TYR 31 7.103 -2.728 -11.987 247 HE1 TYR 31 HE1 TYR 31 7.643 -4.012 -7.268 248 HE2 TYR 31 HE2 TYR 31 7.143 -5.106 -11.362 249 HH TYR 31 HH TYR 31 7.266 -6.116 -7.980 250 H GLU 32 H GLU 32 10.333 -1.781 -11.396 251 HA GLU 32 HA GLU 32 11.348 -2.251 -8.686 252 HB2 GLU 32 2HB GLU 32 11.936 -4.399 -9.345 253 HB3 GLU 32 3HB GLU 32 10.466 -4.112 -10.265 254 HG2 GLU 32 2HG GLU 32 11.902 -3.443 -12.196 255 HG3 GLU 32 3HG GLU 32 13.299 -3.974 -11.261 256 H SER 33 H SER 33 12.100 -0.356 -11.220 257 HA SER 33 HA SER 33 15.006 -0.643 -10.822 258 HB2 SER 33 2HB SER 33 13.364 0.122 -13.201 259 HB3 SER 33 3HB SER 33 14.976 0.816 -13.029 260 HG SER 33 HG SER 33 15.487 -1.589 -12.587 261 H VAL 34 H VAL 34 12.341 1.659 -11.088 262 HA VAL 34 HA VAL 34 14.061 3.870 -10.295 263 HB VAL 34 HB VAL 34 12.277 4.153 -12.033 264 HG11 VAL 34 1HG1 VAL 34 10.289 4.266 -9.801 265 HG12 VAL 34 2HG1 VAL 34 10.016 4.097 -11.537 266 HG13 VAL 34 3HG1 VAL 34 10.640 2.736 -10.604 267 HG21 VAL 34 3HG2 VAL 34 13.272 6.033 -10.731 268 HG22 VAL 34 1HG2 VAL 34 11.634 6.345 -11.307 269 HG23 VAL 34 2HG2 VAL 34 11.909 5.920 -9.618 270 H SER 35 H SER 35 13.609 5.197 -8.457 271 HA SER 35 HA SER 35 12.121 3.822 -6.318 272 HB2 SER 35 2HB SER 35 14.912 4.831 -6.354 273 HB3 SER 35 3HB SER 35 13.987 5.134 -4.884 274 HG SER 35 HG SER 35 13.455 2.696 -5.338 275 H LYS 36 H LYS 36 12.000 5.513 -4.356 276 HA LYS 36 HA LYS 36 10.265 7.565 -5.256 277 HB2 LYS 36 2HB LYS 36 10.290 6.325 -2.991 278 HB3 LYS 36 3HB LYS 36 11.516 7.494 -2.521 279 HG2 LYS 36 2HG LYS 36 9.619 8.504 -1.739 280 HG3 LYS 36 3HG LYS 36 9.751 9.237 -3.340 281 HD2 LYS 36 2HD LYS 36 7.488 8.598 -3.100 282 HD3 LYS 36 3HD LYS 36 8.221 7.394 -4.163 283 HE2 LYS 36 2HE LYS 36 8.297 5.780 -2.453 284 HE3 LYS 36 3HE LYS 36 8.008 6.980 -1.195 285 HZ1 LYS 36 3HZ LYS 36 6.129 5.472 -2.677 286 HZ2 LYS 36 1HZ LYS 36 5.848 7.124 -2.912 287 HZ3 LYS 36 2HZ LYS 36 5.869 6.485 -1.347 288 H GLN 37 H GLN 37 13.656 7.414 -4.789 289 HA GLN 37 HA GLN 37 14.100 10.200 -4.333 290 HB2 GLN 37 2HB GLN 37 15.694 8.356 -3.710 291 HB3 GLN 37 3HB GLN 37 16.061 8.176 -5.421 292 HG2 GLN 37 2HG GLN 37 17.738 9.513 -4.259 293 HG3 GLN 37 3HG GLN 37 16.911 10.438 -5.510 294 HE21 GLN 37 1HE2 GLN 37 17.166 12.447 -4.704 295 HE22 GLN 37 2HE2 GLN 37 16.513 12.981 -3.196 296 H ALA 38 H ALA 38 14.184 8.090 -7.172 297 HA ALA 38 HA ALA 38 14.861 10.300 -8.925 298 HB1 ALA 38 1HB ALA 38 14.148 7.462 -9.650 299 HB2 ALA 38 2HB ALA 38 14.912 8.664 -10.691 300 HB3 ALA 38 3HB ALA 38 15.779 8.029 -9.292 301 H TRP 39 H TRP 39 12.049 8.925 -7.631 302 HA TRP 39 HA TRP 39 10.175 9.071 -9.646 303 HB2 TRP 39 2HB TRP 39 9.618 8.210 -7.447 304 HB3 TRP 39 3HB TRP 39 9.860 9.799 -6.727 305 HD1 TRP 39 HD1 TRP 39 7.780 11.306 -6.549 306 HE1 TRP 39 HE1 TRP 39 5.371 11.207 -7.449 307 HE3 TRP 39 HE3 TRP 39 8.247 7.288 -9.675 308 HZ2 TRP 39 HZ2 TRP 39 3.867 9.633 -9.246 309 HZ3 TRP 39 HZ3 TRP 39 6.275 6.549 -10.947 310 HH2 TRP 39 HH2 TRP 39 4.131 7.698 -10.736 311 H GLN 40 H GLN 40 11.257 11.692 -7.501 312 HA GLN 40 HA GLN 40 9.593 13.704 -8.469 313 HB2 GLN 40 2HB GLN 40 12.405 13.930 -7.385 314 HB3 GLN 40 3HB GLN 40 11.297 15.280 -7.596 315 HG2 GLN 40 2HG GLN 40 10.717 12.904 -5.847 316 HG3 GLN 40 3HG GLN 40 11.464 14.393 -5.270 317 HE21 GLN 40 1HE2 GLN 40 8.736 12.886 -5.047 318 HE22 GLN 40 2HE2 GLN 40 7.592 14.176 -5.155 319 H ASP 41 H ASP 41 12.806 12.692 -9.570 320 HA ASP 41 HA ASP 41 13.122 14.680 -11.541 321 HB2 ASP 41 2HB ASP 41 14.812 12.920 -10.528 322 HB3 ASP 41 3HB ASP 41 14.307 11.961 -11.916 323 H TRP 42 H TRP 42 11.591 11.516 -11.587 324 HA TRP 42 HA TRP 42 11.273 11.231 -14.354 325 HB2 TRP 42 2HB TRP 42 10.868 9.351 -12.917 326 HB3 TRP 42 3HB TRP 42 9.601 10.217 -12.050 327 HD1 TRP 42 HD1 TRP 42 7.390 9.068 -12.627 328 HE1 TRP 42 HE1 TRP 42 6.240 8.255 -14.781 329 HE3 TRP 42 HE3 TRP 42 11.148 10.018 -15.961 330 HZ2 TRP 42 HZ2 TRP 42 6.846 8.044 -17.530 331 HZ3 TRP 42 HZ3 TRP 42 10.782 9.481 -18.334 332 HH2 TRP 42 HH2 TRP 42 8.675 8.514 -19.100 333 H LEU 43 H LEU 43 9.665 13.272 -12.086 334 HA LEU 43 HA LEU 43 7.416 13.788 -13.851 335 HB2 LEU 43 2HB LEU 43 8.116 15.200 -11.288 336 HB3 LEU 43 3HB LEU 43 6.556 15.172 -12.108 337 HG LEU 43 HG LEU 43 7.844 12.750 -10.855 338 HD11 LEU 43 1HD1 LEU 43 5.624 13.413 -9.363 339 HD12 LEU 43 2HD1 LEU 43 6.402 14.968 -9.657 340 HD13 LEU 43 3HD1 LEU 43 7.306 13.660 -8.895 341 HD21 LEU 43 3HD2 LEU 43 5.845 12.904 -12.723 342 HD22 LEU 43 1HD2 LEU 43 4.949 12.852 -11.205 343 HD23 LEU 43 2HD2 LEU 43 6.096 11.570 -11.596 344 H LYS 44 H LYS 44 10.488 15.157 -13.027 345 HA LYS 44 HA LYS 44 10.002 17.796 -13.963 346 HB2 LYS 44 2HB LYS 44 11.845 17.350 -12.455 347 HB3 LYS 44 3HB LYS 44 12.576 16.249 -13.616 348 HG2 LYS 44 2HG LYS 44 13.808 18.233 -13.779 349 HG3 LYS 44 3HG LYS 44 12.736 18.239 -15.182 350 HD2 LYS 44 2HD LYS 44 11.625 19.509 -12.778 351 HD3 LYS 44 3HD LYS 44 13.041 20.318 -13.454 352 HE2 LYS 44 2HE LYS 44 10.754 19.486 -15.204 353 HE3 LYS 44 3HE LYS 44 10.694 20.995 -14.294 354 HZ1 LYS 44 3HZ LYS 44 12.778 20.240 -16.271 355 HZ2 LYS 44 1HZ LYS 44 12.748 21.679 -15.382 356 HZ3 LYS 44 2HZ LYS 44 11.536 21.361 -16.518 357 H GLN 45 H GLN 45 11.882 15.135 -15.424 358 HA GLN 45 HA GLN 45 12.186 16.382 -17.928 359 HB2 GLN 45 2HB GLN 45 13.035 14.299 -18.708 360 HB3 GLN 45 3HB GLN 45 13.546 14.460 -17.033 361 HG2 GLN 45 2HG GLN 45 11.826 12.942 -16.311 362 HG3 GLN 45 3HG GLN 45 11.166 12.861 -17.944 363 HE21 GLN 45 1HE2 GLN 45 11.956 11.399 -19.323 364 HE22 GLN 45 2HE2 GLN 45 13.304 10.366 -19.008 365 H GLN 46 H GLN 46 9.671 14.350 -16.593 366 HA GLN 46 HA GLN 46 8.343 13.512 -18.857 367 HB2 GLN 46 2HB GLN 46 7.711 13.853 -16.058 368 HB3 GLN 46 3HB GLN 46 6.321 14.252 -17.059 369 HG2 GLN 46 2HG GLN 46 7.751 11.770 -17.751 370 HG3 GLN 46 3HG GLN 46 6.885 11.775 -16.216 371 HE21 GLN 46 1HE2 GLN 46 5.793 10.029 -17.583 372 HE22 GLN 46 2HE2 GLN 46 4.400 10.531 -18.471 373 H THR 47 H THR 47 7.930 16.588 -17.122 374 HA THR 47 HA THR 47 6.007 17.613 -18.962 375 HB THR 47 HB THR 47 7.711 19.065 -16.928 376 HG1 THR 47 HG1 THR 47 4.960 18.356 -16.768 377 HG21 THR 47 3HG2 THR 47 7.022 20.859 -18.133 378 HG22 THR 47 1HG2 THR 47 5.530 20.611 -17.228 379 HG23 THR 47 2HG2 THR 47 5.680 19.984 -18.870 380 H MET 48 H MET 48 9.488 18.119 -18.495 381 HA MET 48 HA MET 48 9.902 20.107 -20.386 382 HB2 MET 48 2HB MET 48 11.509 18.754 -18.690 383 HB3 MET 48 3HB MET 48 11.982 18.009 -20.211 384 HG2 MET 48 2HG MET 48 11.846 20.972 -20.073 385 HG3 MET 48 3HG MET 48 13.190 20.150 -19.283 386 HE1 MET 48 3HE MET 48 15.289 20.056 -20.373 387 HE2 MET 48 1HE MET 48 15.574 20.421 -22.075 388 HE3 MET 48 2HE MET 48 14.826 21.627 -21.029 389 H LEU 49 H LEU 49 9.745 16.602 -20.800 390 HA LEU 49 HA LEU 49 10.472 16.599 -23.544 391 HB2 LEU 49 2HB LEU 49 9.336 14.656 -21.621 392 HB3 LEU 49 3HB LEU 49 9.083 14.325 -23.333 393 HG LEU 49 HG LEU 49 11.091 13.238 -22.177 394 HD11 LEU 49 1HD1 LEU 49 11.012 14.651 -24.781 395 HD12 LEU 49 2HD1 LEU 49 11.170 12.931 -24.426 396 HD13 LEU 49 3HD1 LEU 49 12.563 13.999 -24.251 397 HD21 LEU 49 3HD2 LEU 49 12.956 14.467 -21.656 398 HD22 LEU 49 1HD2 LEU 49 11.683 15.598 -21.194 399 HD23 LEU 49 2HD2 LEU 49 12.520 15.793 -22.735 400 H ILE 50 H ILE 50 7.361 16.591 -21.851 401 HA ILE 50 HA ILE 50 5.736 16.367 -24.145 402 HB ILE 50 HB ILE 50 5.105 17.610 -21.466 403 HG12 ILE 50 2HG1 ILE 50 4.141 14.933 -22.404 404 HG13 ILE 50 3HG1 ILE 50 5.774 15.086 -21.763 405 HG21 ILE 50 1HG2 ILE 50 3.560 18.420 -23.140 406 HG22 ILE 50 2HG2 ILE 50 3.271 16.777 -23.709 407 HG23 ILE 50 3HG2 ILE 50 2.746 17.257 -22.095 408 HD11 ILE 50 3HD1 ILE 50 4.184 16.397 -19.913 409 HD12 ILE 50 1HD1 ILE 50 3.247 14.978 -20.378 410 HD13 ILE 50 2HD1 ILE 50 4.887 14.788 -19.757 411 H ASN 51 H ASN 51 7.150 19.128 -22.490 412 HA ASN 51 HA ASN 51 5.735 21.047 -24.120 413 HB2 ASN 51 2HB ASN 51 7.859 21.261 -21.996 414 HB3 ASN 51 3HB ASN 51 7.380 22.658 -22.956 415 HD21 ASN 51 1HD2 ASN 51 5.604 19.971 -21.465 416 HD22 ASN 51 2HD2 ASN 51 4.500 20.967 -20.585 417 H GLU 52 H GLU 52 8.757 19.358 -24.188 418 HA GLU 52 HA GLU 52 10.030 21.142 -26.052 419 HB2 GLU 52 2HB GLU 52 11.334 19.781 -24.459 420 HB3 GLU 52 3HB GLU 52 10.766 18.320 -25.255 421 HG2 GLU 52 2HG GLU 52 11.966 18.815 -27.230 422 HG3 GLU 52 3HG GLU 52 12.315 20.456 -26.688 423 H ASN 53 H ASN 53 8.681 17.851 -26.254 424 HA ASN 53 HA ASN 53 8.854 17.897 -29.148 425 HB2 ASN 53 2HB ASN 53 7.871 15.821 -27.185 426 HB3 ASN 53 3HB ASN 53 7.808 15.603 -28.932 427 HD21 ASN 53 1HD2 ASN 53 9.909 15.982 -26.167 428 HD22 ASN 53 2HD2 ASN 53 11.325 15.327 -26.910 429 H ARG 54 H ARG 54 6.673 18.943 -26.833 430 HA ARG 54 HA ARG 54 4.519 19.671 -26.894 431 HB2 ARG 54 2HB ARG 54 5.105 19.666 -29.857 432 HB3 ARG 54 3HB ARG 54 3.638 20.334 -29.155 433 HG2 ARG 54 2HG ARG 54 6.417 21.258 -28.462 434 HG3 ARG 54 3HG ARG 54 5.380 22.022 -29.669 435 HD2 ARG 54 2HD ARG 54 4.769 21.709 -26.731 436 HD3 ARG 54 3HD ARG 54 5.255 23.199 -27.539 437 HE ARG 54 HE ARG 54 3.016 22.373 -28.877 438 HH11 ARG 54 1HH1 ARG 54 3.795 23.121 -25.568 439 HH12 ARG 54 2HH1 ARG 54 2.197 23.664 -25.177 440 HH21 ARG 54 1HH2 ARG 54 0.908 23.086 -28.376 441 HH22 ARG 54 2HH2 ARG 54 0.555 23.643 -26.775 442 H LEU 55 H LEU 55 4.740 16.983 -26.507 443 HA LEU 55 HA LEU 55 3.129 15.480 -28.331 444 HB2 LEU 55 2HB LEU 55 3.705 14.739 -25.480 445 HB3 LEU 55 3HB LEU 55 3.382 13.670 -26.843 446 HG LEU 55 HG LEU 55 5.862 15.367 -26.640 447 HD11 LEU 55 1HD1 LEU 55 5.762 12.441 -26.008 448 HD12 LEU 55 2HD1 LEU 55 5.499 13.654 -24.755 449 HD13 LEU 55 3HD1 LEU 55 7.023 13.619 -25.642 450 HD21 LEU 55 3HD2 LEU 55 4.932 13.137 -28.415 451 HD22 LEU 55 1HD2 LEU 55 6.648 13.479 -28.197 452 HD23 LEU 55 2HD2 LEU 55 5.580 14.717 -28.859 453 H ASN 56 H ASN 56 1.191 14.221 -27.397 454 HA ASN 56 HA ASN 56 -0.583 16.164 -26.077 455 HB2 ASN 56 2HB ASN 56 -0.939 15.041 -28.516 456 HB3 ASN 56 3HB ASN 56 -1.782 13.869 -27.508 457 HD21 ASN 56 1HD2 ASN 56 -3.210 14.996 -25.788 458 HD22 ASN 56 2HD2 ASN 56 -4.226 16.253 -26.396 459 H MET 57 H MET 57 -0.204 15.589 -23.950 460 HA MET 57 HA MET 57 0.028 13.053 -22.881 461 HB2 MET 57 2HB MET 57 -1.312 15.430 -21.579 462 HB3 MET 57 3HB MET 57 -0.644 14.033 -20.747 463 HG2 MET 57 2HG MET 57 1.581 14.624 -21.423 464 HG3 MET 57 3HG MET 57 0.967 15.935 -22.428 465 HE1 MET 57 3HE MET 57 1.255 18.802 -20.612 466 HE2 MET 57 1HE MET 57 0.540 17.937 -21.973 467 HE3 MET 57 2HE MET 57 -0.458 18.381 -20.589 468 H ALA 58 H ALA 58 -2.824 14.746 -23.944 469 HA ALA 58 HA ALA 58 -4.815 13.326 -22.616 470 HB1 ALA 58 1HB ALA 58 -6.245 14.458 -23.929 471 HB2 ALA 58 2HB ALA 58 -4.798 15.331 -24.436 472 HB3 ALA 58 3HB ALA 58 -5.411 13.996 -25.413 473 H ASP 59 H ASP 59 -2.721 12.355 -25.187 474 HA ASP 59 HA ASP 59 -4.256 9.857 -25.494 475 HB2 ASP 59 2HB ASP 59 -2.754 11.530 -27.444 476 HB3 ASP 59 3HB ASP 59 -2.701 9.784 -27.665 477 HA PRO 60 HA PRO 60 -0.884 7.503 -23.972 478 HB2 PRO 60 2HB PRO 60 -0.912 5.324 -25.591 479 HB3 PRO 60 3HB PRO 60 -2.145 5.621 -24.359 480 HG2 PRO 60 2HG PRO 60 -2.248 6.138 -27.306 481 HG3 PRO 60 3HG PRO 60 -3.491 5.448 -26.247 482 HD2 PRO 60 2HD PRO 60 -3.534 8.033 -27.053 483 HD3 PRO 60 3HD PRO 60 -4.157 7.514 -25.473 484 H ARG 61 H ARG 61 -0.804 8.802 -27.100 485 HA ARG 61 HA ARG 61 1.594 7.706 -28.098 486 HB2 ARG 61 2HB ARG 61 0.229 10.346 -28.638 487 HB3 ARG 61 3HB ARG 61 1.643 9.786 -29.521 488 HG2 ARG 61 2HG ARG 61 -0.919 8.222 -29.369 489 HG3 ARG 61 3HG ARG 61 -0.574 9.401 -30.636 490 HD2 ARG 61 2HD ARG 61 1.302 7.139 -30.022 491 HD3 ARG 61 3HD ARG 61 -0.061 6.941 -31.122 492 HE ARG 61 HE ARG 61 1.370 9.198 -31.923 493 HH11 ARG 61 1HH1 ARG 61 1.795 5.749 -31.705 494 HH12 ARG 61 2HH1 ARG 61 2.904 5.670 -33.034 495 HH21 ARG 61 1HH2 ARG 61 2.829 9.107 -33.674 496 HH22 ARG 61 2HH2 ARG 61 3.492 7.581 -34.153 497 H ALA 62 H ALA 62 0.923 10.452 -25.999 498 HA ALA 62 HA ALA 62 3.646 11.372 -25.974 499 HB1 ALA 62 1HB ALA 62 2.924 13.070 -24.541 500 HB2 ALA 62 2HB ALA 62 1.534 12.768 -25.584 501 HB3 ALA 62 3HB ALA 62 1.565 12.116 -23.946 502 H ARG 63 H ARG 63 1.840 8.992 -24.295 503 HA ARG 63 HA ARG 63 3.603 8.942 -21.990 504 HB2 ARG 63 2HB ARG 63 1.596 6.802 -22.595 505 HB3 ARG 63 3HB ARG 63 2.124 7.422 -21.036 506 HG2 ARG 63 2HG ARG 63 0.300 8.779 -23.007 507 HG3 ARG 63 3HG ARG 63 -0.127 8.125 -21.424 508 HD2 ARG 63 2HD ARG 63 1.984 9.897 -20.957 509 HD3 ARG 63 3HD ARG 63 0.937 10.713 -22.117 510 HE ARG 63 HE ARG 63 -0.639 10.946 -20.474 511 HH11 ARG 63 1HH1 ARG 63 1.702 8.569 -19.479 512 HH12 ARG 63 2HH1 ARG 63 1.075 8.436 -17.869 513 HH21 ARG 63 1HH2 ARG 63 -1.474 10.779 -18.358 514 HH22 ARG 63 2HH2 ARG 63 -0.732 9.692 -17.233 515 H GLN 64 H GLN 64 3.086 7.181 -24.972 516 HA GLN 64 HA GLN 64 4.850 5.022 -24.281 517 HB2 GLN 64 2HB GLN 64 2.932 4.831 -25.893 518 HB3 GLN 64 3HB GLN 64 3.860 5.808 -27.023 519 HG2 GLN 64 2HG GLN 64 5.684 3.951 -26.570 520 HG3 GLN 64 3HG GLN 64 4.256 2.998 -26.170 521 HE21 GLN 64 1HE2 GLN 64 6.309 3.805 -28.589 522 HE22 GLN 64 2HE2 GLN 64 5.299 3.483 -29.953 523 H TYR 65 H TYR 65 5.159 8.146 -25.738 524 HA TYR 65 HA TYR 65 7.674 7.659 -27.015 525 HB2 TYR 65 2HB TYR 65 6.353 9.423 -27.911 526 HB3 TYR 65 3HB TYR 65 6.160 10.178 -26.332 527 HD1 TYR 65 HD2 TYR 65 8.520 9.567 -29.098 528 HD2 TYR 65 HD1 TYR 65 7.823 11.655 -25.457 529 HE1 TYR 65 HE2 TYR 65 10.469 10.997 -29.552 530 HE2 TYR 65 HE1 TYR 65 9.769 13.092 -25.902 531 HH TYR 65 HH TYR 65 12.120 12.507 -27.676 532 H LEU 66 H LEU 66 6.636 8.917 -23.901 533 HA LEU 66 HA LEU 66 9.200 9.822 -23.066 534 HB2 LEU 66 2HB LEU 66 6.548 9.426 -21.835 535 HB3 LEU 66 3HB LEU 66 7.924 9.374 -20.737 536 HG LEU 66 HG LEU 66 7.707 11.675 -22.612 537 HD11 LEU 66 1HD1 LEU 66 6.411 12.603 -20.401 538 HD12 LEU 66 2HD1 LEU 66 5.721 10.990 -20.577 539 HD13 LEU 66 3HD1 LEU 66 5.633 12.137 -21.913 540 HD21 LEU 66 3HD2 LEU 66 8.930 12.801 -20.986 541 HD22 LEU 66 1HD2 LEU 66 9.591 11.167 -20.930 542 HD23 LEU 66 2HD2 LEU 66 8.436 11.692 -19.705 543 H MET 67 H MET 67 7.551 6.755 -22.984 544 HA MET 67 HA MET 67 9.008 5.443 -21.001 545 HB2 MET 67 2HB MET 67 7.400 4.623 -23.346 546 HB3 MET 67 3HB MET 67 8.532 3.425 -22.732 547 HG2 MET 67 2HG MET 67 7.495 3.898 -20.442 548 HG3 MET 67 3HG MET 67 6.203 4.689 -21.341 549 HE1 MET 67 3HE MET 67 4.594 3.401 -23.071 550 HE2 MET 67 1HE MET 67 6.056 2.970 -23.959 551 HE3 MET 67 2HE MET 67 4.871 1.727 -23.556 552 H LYS 68 H LYS 68 9.915 6.399 -24.193 553 HA LYS 68 HA LYS 68 12.145 4.595 -24.414 554 HB2 LYS 68 2HB LYS 68 11.499 7.086 -26.003 555 HB3 LYS 68 3HB LYS 68 12.708 5.881 -26.427 556 HG2 LYS 68 2HG LYS 68 9.959 4.890 -26.013 557 HG3 LYS 68 3HG LYS 68 10.232 5.902 -27.433 558 HD2 LYS 68 2HD LYS 68 10.852 3.973 -28.409 559 HD3 LYS 68 3HD LYS 68 12.373 4.230 -27.552 560 HE2 LYS 68 2HE LYS 68 11.849 2.691 -25.900 561 HE3 LYS 68 3HE LYS 68 10.117 2.796 -26.211 562 HZ1 LYS 68 3HZ LYS 68 10.298 1.465 -28.093 563 HZ2 LYS 68 1HZ LYS 68 11.340 0.719 -26.988 564 HZ3 LYS 68 2HZ LYS 68 11.970 1.686 -28.225 565 H GLN 69 H GLN 69 11.562 7.628 -22.938 566 HA GLN 69 HA GLN 69 14.354 8.419 -22.918 567 HB2 GLN 69 2HB GLN 69 12.107 9.701 -21.373 568 HB3 GLN 69 3HB GLN 69 13.637 10.421 -21.856 569 HG2 GLN 69 2HG GLN 69 11.429 9.592 -23.726 570 HG3 GLN 69 3HG GLN 69 11.760 11.239 -23.192 571 HE21 GLN 69 1HE2 GLN 69 13.646 12.274 -23.916 572 HE22 GLN 69 2HE2 GLN 69 14.479 11.741 -25.332 573 H THR 70 H THR 70 12.112 6.723 -20.916 574 HA THR 70 HA THR 70 13.770 6.973 -18.537 575 HB THR 70 HB THR 70 11.576 5.021 -18.460 576 HG1 THR 70 HG1 THR 70 11.164 7.675 -19.300 577 HG21 THR 70 3HG2 THR 70 11.043 6.226 -16.399 578 HG22 THR 70 1HG2 THR 70 12.228 7.465 -16.808 579 HG23 THR 70 2HG2 THR 70 12.758 5.819 -16.464 580 H GLU 71 H GLU 71 12.569 4.361 -20.643 581 HA GLU 71 HA GLU 71 14.030 2.289 -19.432 582 HB2 GLU 71 2HB GLU 71 12.093 2.049 -21.037 583 HB3 GLU 71 3HB GLU 71 13.219 2.413 -22.337 584 HG2 GLU 71 2HG GLU 71 14.592 0.454 -21.502 585 HG3 GLU 71 3HG GLU 71 13.196 0.032 -20.512 586 H LYS 72 H LYS 72 14.702 3.947 -22.521 587 HA LYS 72 HA LYS 72 17.215 2.842 -22.967 588 HB2 LYS 72 2HB LYS 72 15.855 4.172 -24.605 589 HB3 LYS 72 3HB LYS 72 16.348 5.629 -23.752 590 HG2 LYS 72 2HG LYS 72 17.758 5.415 -25.639 591 HG3 LYS 72 3HG LYS 72 18.726 4.988 -24.226 592 HD2 LYS 72 2HD LYS 72 19.262 3.328 -25.769 593 HD3 LYS 72 3HD LYS 72 18.033 2.562 -24.760 594 HE2 LYS 72 2HE LYS 72 17.281 2.021 -26.863 595 HE3 LYS 72 3HE LYS 72 16.390 3.512 -26.558 596 HZ1 LYS 72 3HZ LYS 72 19.006 3.633 -27.898 597 HZ2 LYS 72 1HZ LYS 72 17.693 4.694 -28.012 598 HZ3 LYS 72 2HZ LYS 72 17.636 3.192 -28.787 599 H TYR 73 H TYR 73 16.236 5.170 -20.662 600 HA TYR 73 HA TYR 73 18.585 6.653 -20.322 601 HB2 TYR 73 2HB TYR 73 16.105 6.609 -19.134 602 HB3 TYR 73 3HB TYR 73 17.152 6.050 -17.835 603 HD1 TYR 73 HD1 TYR 73 17.110 8.726 -20.451 604 HD2 TYR 73 HD2 TYR 73 18.025 7.658 -16.436 605 HE1 TYR 73 HE1 TYR 73 17.763 11.052 -19.988 606 HE2 TYR 73 HE2 TYR 73 18.679 9.981 -15.961 607 HH TYR 73 HH TYR 73 19.399 12.183 -18.206 608 H PHE 74 H PHE 74 17.465 4.010 -18.203 609 HA PHE 74 HA PHE 74 20.228 3.530 -17.399 610 HB2 PHE 74 2HB PHE 74 18.700 3.668 -15.566 611 HB3 PHE 74 3HB PHE 74 17.583 2.543 -16.332 612 HD1 PHE 74 HD2 PHE 74 21.164 2.629 -15.278 613 HD2 PHE 74 HD1 PHE 74 17.533 0.419 -15.486 614 HE1 PHE 74 HE2 PHE 74 22.236 0.763 -14.087 615 HE2 PHE 74 HE1 PHE 74 18.599 -1.451 -14.294 616 HZ PHE 74 HZ PHE 74 20.954 -1.281 -13.594 617 H PHE 75 H PHE 75 17.458 1.732 -18.710 618 HA PHE 75 HA PHE 75 18.870 -0.702 -19.057 619 HB2 PHE 75 2HB PHE 75 16.387 0.260 -20.494 620 HB3 PHE 75 3HB PHE 75 16.950 -1.405 -20.395 621 HD1 PHE 75 HD2 PHE 75 15.519 1.396 -18.484 622 HD2 PHE 75 HD1 PHE 75 16.531 -2.739 -18.478 623 HE1 PHE 75 HE2 PHE 75 14.216 1.083 -16.421 624 HE2 PHE 75 HE1 PHE 75 15.228 -3.058 -16.415 625 HZ PHE 75 HZ PHE 75 14.069 -1.146 -15.383 626 H GLY 76 H GLY 76 18.402 2.135 -21.057 627 HA2 GLY 76 2HA GLY 76 19.179 2.684 -23.155 628 HA3 GLY 76 3HA GLY 76 20.635 1.861 -22.614 629 H GLU 77 H GLU 77 17.393 0.625 -23.401 630 HA GLU 77 HA GLU 77 18.668 -1.122 -25.404 631 HB2 GLU 77 2HB GLU 77 16.927 -2.774 -24.937 632 HB3 GLU 77 3HB GLU 77 17.825 -2.379 -23.479 633 HG2 GLU 77 2HG GLU 77 15.830 -0.622 -23.234 634 HG3 GLU 77 3HG GLU 77 15.001 -1.868 -24.167 635 H GLY 78 H GLY 78 15.787 0.762 -24.596 636 HA2 GLY 78 2HA GLY 78 14.345 1.911 -25.979 637 HA3 GLY 78 3HA GLY 78 15.405 1.519 -27.325 638 H ALA 79 H ALA 79 13.701 -0.680 -25.130 639 HA ALA 79 HA ALA 79 12.300 -1.777 -27.480 640 HB1 ALA 79 1HB ALA 79 12.213 -3.909 -26.262 641 HB2 ALA 79 2HB ALA 79 13.869 -3.359 -26.521 642 HB3 ALA 79 3HB ALA 79 13.118 -3.176 -24.936 643 H ASP 80 H ASP 80 10.142 -1.749 -27.502 644 HA ASP 80 HA ASP 80 8.579 -1.803 -25.090 645 HB2 ASP 80 2HB ASP 80 9.041 0.734 -26.564 646 HB3 ASP 80 3HB ASP 80 7.392 0.409 -26.039 647 H GLN 81 H GLN 81 6.814 -2.950 -25.508 648 HA GLN 81 HA GLN 81 6.176 -3.881 -28.079 649 HB2 GLN 81 2HB GLN 81 4.829 -3.979 -25.413 650 HB3 GLN 81 3HB GLN 81 3.925 -4.469 -26.840 651 HG2 GLN 81 2HG GLN 81 4.777 -6.481 -26.269 652 HG3 GLN 81 3HG GLN 81 6.114 -5.904 -27.264 653 HE21 GLN 81 1HE2 GLN 81 5.007 -6.557 -24.040 654 HE22 GLN 81 2HE2 GLN 81 6.549 -6.452 -23.269 655 H ALA 82 H ALA 82 4.094 -3.602 -29.204 656 HA ALA 82 HA ALA 82 2.822 -0.999 -28.793 657 HB1 ALA 82 1HB ALA 82 2.988 -1.086 -31.525 658 HB2 ALA 82 2HB ALA 82 4.013 -0.117 -30.466 659 HB3 ALA 82 3HB ALA 82 4.566 -1.696 -31.027 660 H SER 83 H SER 83 0.675 -1.062 -29.074 661 HA SER 83 HA SER 83 -0.642 -2.771 -30.922 662 HB2 SER 83 2HB SER 83 -0.461 -3.630 -28.056 663 HB3 SER 83 3HB SER 83 -1.928 -3.974 -28.973 664 HG SER 83 HG SER 83 -0.797 -5.252 -30.331 665 H GLY 84 H GLY 84 -2.584 -1.931 -31.406 666 HA2 GLY 84 2HA GLY 84 -4.138 -0.496 -29.431 667 HA3 GLY 84 3HA GLY 84 -3.461 0.519 -30.696 668 H TYR 85 H TYR 85 -6.272 -0.270 -29.973 669 HA TYR 85 HA TYR 85 -7.079 -1.602 -32.459 670 HB2 TYR 85 2HB TYR 85 -8.150 -1.503 -29.738 671 HB3 TYR 85 3HB TYR 85 -9.377 -1.247 -30.974 672 HD1 TYR 85 HD2 TYR 85 -9.091 -2.973 -33.049 673 HD2 TYR 85 HD1 TYR 85 -7.857 -3.673 -29.037 674 HE1 TYR 85 HE2 TYR 85 -9.204 -5.398 -33.443 675 HE2 TYR 85 HE1 TYR 85 -7.966 -6.100 -29.421 676 HH TYR 85 HH TYR 85 -9.342 -7.634 -31.124 677 H VAL 86 H VAL 86 -9.235 -0.767 -33.353 678 HA VAL 86 HA VAL 86 -9.288 2.178 -33.278 679 HB VAL 86 HB VAL 86 -9.673 0.497 -35.759 680 HG11 VAL 86 1HG1 VAL 86 -9.422 2.801 -36.836 681 HG12 VAL 86 2HG1 VAL 86 -10.948 2.447 -36.022 682 HG13 VAL 86 3HG1 VAL 86 -9.734 3.451 -35.227 683 HG21 VAL 86 3HG2 VAL 86 -7.276 1.535 -34.497 684 HG22 VAL 86 1HG2 VAL 86 -7.447 0.406 -35.841 685 HG23 VAL 86 2HG2 VAL 86 -7.480 2.143 -36.139 686 HA PRO 87 HA PRO 87 -13.497 0.382 -32.417 687 HB2 PRO 87 2HB PRO 87 -13.989 1.948 -30.255 688 HB3 PRO 87 3HB PRO 87 -13.143 0.400 -30.147 689 HG2 PRO 87 2HG PRO 87 -12.017 3.173 -30.213 690 HG3 PRO 87 3HG PRO 87 -11.550 1.800 -29.193 691 HD2 PRO 87 2HD PRO 87 -10.152 2.520 -31.397 692 HD3 PRO 87 3HD PRO 87 -10.282 0.833 -30.857 693 HA PRO 88 HA PRO 88 -15.791 3.639 -34.278 694 HB2 PRO 88 2HB PRO 88 -18.192 3.477 -33.022 695 HB3 PRO 88 3HB PRO 88 -17.637 2.273 -34.191 696 HG2 PRO 88 2HG PRO 88 -17.585 2.173 -31.200 697 HG3 PRO 88 3HG PRO 88 -18.030 0.903 -32.354 698 HD2 PRO 88 2HD PRO 88 -15.605 0.995 -31.152 699 HD3 PRO 88 3HD PRO 88 -15.834 0.358 -32.793 700 H ALA 89 H ALA 89 -17.494 5.459 -33.570 701 HA ALA 89 HA ALA 89 -16.623 6.728 -31.079 702 HB1 ALA 89 1HB ALA 89 -15.509 8.388 -32.047 703 HB2 ALA 89 2HB ALA 89 -15.629 7.504 -33.569 704 HB3 ALA 89 3HB ALA 89 -16.843 8.714 -33.153 705 H GLN 90 H GLN 90 -18.308 7.472 -29.971 706 HA GLN 90 HA GLN 90 -20.807 8.017 -31.432 707 HB2 GLN 90 2HB GLN 90 -21.938 7.470 -29.241 708 HB3 GLN 90 3HB GLN 90 -21.170 6.114 -30.056 709 HG2 GLN 90 2HG GLN 90 -19.449 5.991 -28.512 710 HG3 GLN 90 3HG GLN 90 -19.704 7.643 -27.949 711 HE21 GLN 90 1HE2 GLN 90 -19.446 5.804 -26.066 712 HE22 GLN 90 2HE2 GLN 90 -20.962 5.431 -25.326 713 H GLY 91 H GLY 91 -22.107 9.764 -30.734 714 HA2 GLY 91 2HA GLY 91 -21.460 11.487 -28.603 715 HA3 GLY 91 3HA GLY 91 -20.710 12.101 -30.069 Start of MODEL 4 1 H1 MET 1 H MET 1 -6.678 -7.713 -3.920 2 HA MET 1 HA MET 1 -5.508 -5.187 -3.059 3 HB2 MET 1 2HB MET 1 -3.535 -6.165 -2.129 4 HB3 MET 1 3HB MET 1 -4.915 -6.917 -1.341 5 HG2 MET 1 2HG MET 1 -4.684 -8.838 -2.892 6 HG3 MET 1 3HG MET 1 -3.218 -8.095 -3.526 7 HE1 MET 1 3HE MET 1 -1.503 -10.239 -2.788 8 HE2 MET 1 1HE MET 1 -2.035 -11.185 -1.397 9 HE3 MET 1 2HE MET 1 -3.148 -10.875 -2.730 10 H ALA 2 H ALA 2 -3.914 -4.408 -4.423 11 HA ALA 2 HA ALA 2 -3.851 -5.627 -7.053 12 HB1 ALA 2 1HB ALA 2 -4.155 -3.330 -7.197 13 HB2 ALA 2 2HB ALA 2 -2.961 -2.993 -5.942 14 HB3 ALA 2 3HB ALA 2 -2.436 -3.524 -7.540 15 H ARG 3 H ARG 3 -1.204 -4.067 -5.268 16 HA ARG 3 HA ARG 3 0.398 -6.464 -5.294 17 HB2 ARG 3 2HB ARG 3 0.500 -5.029 -7.596 18 HB3 ARG 3 3HB ARG 3 1.779 -4.249 -6.675 19 HG2 ARG 3 2HG ARG 3 3.083 -5.861 -7.496 20 HG3 ARG 3 3HG ARG 3 2.333 -6.886 -6.271 21 HD2 ARG 3 2HD ARG 3 0.806 -7.793 -7.816 22 HD3 ARG 3 3HD ARG 3 1.141 -6.534 -9.005 23 HE ARG 3 HE ARG 3 3.530 -7.763 -8.730 24 HH11 ARG 3 1HH1 ARG 3 0.310 -8.927 -9.361 25 HH12 ARG 3 2HH1 ARG 3 0.843 -10.288 -10.291 26 HH21 ARG 3 1HH2 ARG 3 4.244 -9.551 -9.953 27 HH22 ARG 3 2HH2 ARG 3 3.081 -10.643 -10.626 28 H MET 4 H MET 4 2.867 -5.518 -4.834 29 HA MET 4 HA MET 4 2.621 -3.492 -2.727 30 HB2 MET 4 2HB MET 4 4.202 -6.028 -2.331 31 HB3 MET 4 3HB MET 4 3.804 -4.805 -1.132 32 HG2 MET 4 2HG MET 4 1.340 -5.488 -1.733 33 HG3 MET 4 3HG MET 4 2.122 -6.976 -2.261 34 HE1 MET 4 3HE MET 4 4.191 -7.686 -0.887 35 HE2 MET 4 1HE MET 4 4.271 -7.715 0.875 36 HE3 MET 4 2HE MET 4 3.241 -8.863 0.020 37 H ILE 5 H ILE 5 3.807 -1.917 -3.656 38 HA ILE 5 HA ILE 5 6.637 -2.488 -4.123 39 HB ILE 5 HB ILE 5 6.738 -1.386 -6.222 40 HG12 ILE 5 2HG1 ILE 5 4.096 -0.842 -6.983 41 HG13 ILE 5 3HG1 ILE 5 4.239 -0.216 -5.344 42 HG21 ILE 5 1HG2 ILE 5 5.251 -2.764 -7.628 43 HG22 ILE 5 2HG2 ILE 5 6.054 -3.699 -6.368 44 HG23 ILE 5 3HG2 ILE 5 4.362 -3.241 -6.182 45 HD11 ILE 5 3HD1 ILE 5 4.759 1.520 -6.908 46 HD12 ILE 5 1HD1 ILE 5 6.232 1.058 -6.057 47 HD13 ILE 5 2HD1 ILE 5 5.955 0.500 -7.707 48 H HIS 6 H HIS 6 7.842 -0.345 -4.526 49 HA HIS 6 HA HIS 6 6.846 1.600 -2.562 50 HB2 HIS 6 2HB HIS 6 8.997 0.659 -1.974 51 HB3 HIS 6 3HB HIS 6 9.647 1.051 -3.563 52 HD1 HIS 6 HD1 HIS 6 9.376 2.345 -0.193 53 HD2 HIS 6 HD2 HIS 6 9.805 3.965 -3.995 54 HE1 HIS 6 HE1 HIS 6 10.186 4.698 0.167 55 H CYS 7 H CYS 7 5.690 3.106 -3.621 56 HA CYS 7 HA CYS 7 5.830 3.933 -6.213 57 HB2 CYS 7 2HB CYS 7 4.188 4.653 -4.388 58 HB3 CYS 7 3HB CYS 7 5.365 5.891 -3.968 59 HG CYS 7 HG CYS 7 4.874 6.057 -7.188 60 H ALA 8 H ALA 8 7.441 4.681 -7.404 61 HA ALA 8 HA ALA 8 9.787 5.843 -6.192 62 HB1 ALA 8 1HB ALA 8 9.377 4.348 -8.437 63 HB2 ALA 8 2HB ALA 8 9.591 5.965 -9.109 64 HB3 ALA 8 3HB ALA 8 10.841 5.264 -8.081 65 H LYS 9 H LYS 9 6.857 7.091 -6.893 66 HA LYS 9 HA LYS 9 7.852 9.651 -7.909 67 HB2 LYS 9 2HB LYS 9 5.806 8.492 -8.890 68 HB3 LYS 9 3HB LYS 9 4.976 8.901 -7.394 69 HG2 LYS 9 2HG LYS 9 6.347 11.093 -8.843 70 HG3 LYS 9 3HG LYS 9 4.866 10.440 -9.547 71 HD2 LYS 9 2HD LYS 9 3.557 11.193 -7.832 72 HD3 LYS 9 3HD LYS 9 4.859 11.083 -6.645 73 HE2 LYS 9 2HE LYS 9 4.667 13.155 -8.829 74 HE3 LYS 9 3HE LYS 9 4.209 13.412 -7.146 75 HZ1 LYS 9 3HZ LYS 9 6.342 14.220 -7.194 76 HZ2 LYS 9 1HZ LYS 9 6.888 13.068 -8.307 77 HZ3 LYS 9 2HZ LYS 9 6.621 12.628 -6.696 78 H LEU 10 H LEU 10 6.068 8.275 -5.177 79 HA LEU 10 HA LEU 10 6.076 10.829 -3.789 80 HB2 LEU 10 2HB LEU 10 5.151 8.187 -2.697 81 HB3 LEU 10 3HB LEU 10 4.692 9.805 -2.169 82 HG LEU 10 HG LEU 10 3.989 8.904 -4.930 83 HD11 LEU 10 1HD1 LEU 10 1.916 8.451 -2.926 84 HD12 LEU 10 2HD1 LEU 10 3.288 7.352 -2.790 85 HD13 LEU 10 3HD1 LEU 10 2.397 7.466 -4.308 86 HD21 LEU 10 3HD2 LEU 10 3.691 11.266 -3.888 87 HD22 LEU 10 1HD2 LEU 10 2.319 10.530 -3.059 88 HD23 LEU 10 2HD2 LEU 10 2.374 10.553 -4.821 89 H GLY 11 H GLY 11 7.233 7.519 -3.106 90 HA2 GLY 11 2HA GLY 11 9.622 7.351 -2.448 91 HA3 GLY 11 3HA GLY 11 9.327 8.739 -1.412 92 H LYS 12 H LYS 12 6.816 6.406 -1.629 93 HA LYS 12 HA LYS 12 7.698 5.126 0.865 94 HB2 LYS 12 2HB LYS 12 4.838 5.958 0.415 95 HB3 LYS 12 3HB LYS 12 5.591 5.416 1.909 96 HG2 LYS 12 2HG LYS 12 5.815 7.555 2.444 97 HG3 LYS 12 3HG LYS 12 7.052 7.658 1.188 98 HD2 LYS 12 2HD LYS 12 5.622 9.356 0.564 99 HD3 LYS 12 3HD LYS 12 5.005 8.009 -0.396 100 HE2 LYS 12 2HE LYS 12 3.130 9.102 0.582 101 HE3 LYS 12 3HE LYS 12 3.354 7.578 1.438 102 HZ1 LYS 12 3HZ LYS 12 3.088 9.991 2.613 103 HZ2 LYS 12 1HZ LYS 12 4.769 9.793 2.613 104 HZ3 LYS 12 2HZ LYS 12 3.781 8.631 3.344 105 H GLU 13 H GLU 13 5.540 3.491 1.299 106 HA GLU 13 HA GLU 13 5.784 1.644 -0.952 107 HB2 GLU 13 2HB GLU 13 5.250 1.375 1.951 108 HB3 GLU 13 3HB GLU 13 4.455 0.212 0.901 109 HG2 GLU 13 2HG GLU 13 6.628 -0.409 -0.044 110 HG3 GLU 13 3HG GLU 13 7.415 0.736 1.041 111 H ALA 14 H ALA 14 4.240 1.610 -2.433 112 HA ALA 14 HA ALA 14 1.451 1.987 -1.580 113 HB1 ALA 14 1HB ALA 14 1.064 3.212 -3.741 114 HB2 ALA 14 2HB ALA 14 2.027 4.078 -2.544 115 HB3 ALA 14 3HB ALA 14 2.816 3.302 -3.918 116 H GLU 15 H GLU 15 -0.087 1.294 -3.394 117 HA GLU 15 HA GLU 15 0.516 -1.410 -4.059 118 HB2 GLU 15 2HB GLU 15 -1.788 0.369 -4.876 119 HB3 GLU 15 3HB GLU 15 -1.696 -1.355 -5.212 120 HG2 GLU 15 2HG GLU 15 -1.997 0.025 -2.572 121 HG3 GLU 15 3HG GLU 15 -3.046 -1.180 -3.318 122 H GLY 16 H GLY 16 1.127 -2.316 -5.958 123 HA2 GLY 16 2HA GLY 16 1.767 -0.442 -8.149 124 HA3 GLY 16 3HA GLY 16 2.668 -1.910 -7.802 125 H LEU 17 H LEU 17 1.831 -1.474 -10.343 126 HA LEU 17 HA LEU 17 -0.717 -2.639 -10.891 127 HB2 LEU 17 2HB LEU 17 1.629 -1.760 -12.489 128 HB3 LEU 17 3HB LEU 17 0.486 -2.871 -13.241 129 HG LEU 17 HG LEU 17 -1.308 -1.272 -12.960 130 HD11 LEU 17 1HD1 LEU 17 -0.902 0.957 -12.062 131 HD12 LEU 17 2HD1 LEU 17 0.759 0.508 -11.675 132 HD13 LEU 17 3HD1 LEU 17 -0.583 -0.283 -10.849 133 HD21 LEU 17 3HD2 LEU 17 0.233 0.727 -14.120 134 HD22 LEU 17 1HD2 LEU 17 -0.607 -0.581 -14.954 135 HD23 LEU 17 2HD2 LEU 17 1.087 -0.769 -14.499 136 H ASP 18 H ASP 18 -0.594 -4.510 -12.688 137 HA ASP 18 HA ASP 18 1.164 -6.633 -11.662 138 HB2 ASP 18 2HB ASP 18 -1.772 -6.959 -12.316 139 HB3 ASP 18 3HB ASP 18 -0.682 -8.235 -11.783 140 H PHE 19 H PHE 19 1.410 -4.962 -14.015 141 HA PHE 19 HA PHE 19 2.152 -6.857 -15.909 142 HB2 PHE 19 2HB PHE 19 0.382 -6.285 -17.673 143 HB3 PHE 19 3HB PHE 19 -0.092 -7.395 -16.390 144 HD1 PHE 19 HD1 PHE 19 -0.128 -3.754 -17.188 145 HD2 PHE 19 HD2 PHE 19 -2.080 -7.029 -15.296 146 HE1 PHE 19 HE1 PHE 19 -2.033 -2.297 -16.641 147 HE2 PHE 19 HE2 PHE 19 -3.989 -5.578 -14.747 148 HZ PHE 19 HZ PHE 19 -3.968 -3.209 -15.420 149 HA PRO 20 HA PRO 20 4.193 -3.338 -17.555 150 HB2 PRO 20 2HB PRO 20 4.567 -4.090 -20.137 151 HB3 PRO 20 3HB PRO 20 5.467 -4.798 -18.790 152 HG2 PRO 20 2HG PRO 20 3.075 -5.866 -20.239 153 HG3 PRO 20 3HG PRO 20 4.537 -6.720 -19.710 154 HD2 PRO 20 2HD PRO 20 2.205 -6.836 -18.339 155 HD3 PRO 20 3HD PRO 20 3.788 -6.917 -17.539 156 HA PRO 21 HA PRO 21 1.028 -0.767 -19.291 157 HB2 PRO 21 2HB PRO 21 2.577 1.403 -19.801 158 HB3 PRO 21 3HB PRO 21 2.046 0.963 -18.174 159 HG2 PRO 21 2HG PRO 21 4.676 0.453 -19.510 160 HG3 PRO 21 3HG PRO 21 4.349 0.994 -17.854 161 HD2 PRO 21 2HD PRO 21 4.958 -1.575 -18.453 162 HD3 PRO 21 3HD PRO 21 3.875 -1.137 -17.116 163 H LEU 22 H LEU 22 3.981 -1.604 -20.943 164 HA LEU 22 HA LEU 22 2.590 -1.464 -23.493 165 HB2 LEU 22 2HB LEU 22 4.964 0.191 -22.763 166 HB3 LEU 22 3HB LEU 22 4.787 -0.388 -24.418 167 HG LEU 22 HG LEU 22 2.760 1.311 -22.967 168 HD11 LEU 22 1HD1 LEU 22 5.079 2.312 -23.553 169 HD12 LEU 22 2HD1 LEU 22 3.617 3.191 -23.999 170 HD13 LEU 22 3HD1 LEU 22 4.489 2.257 -25.214 171 HD21 LEU 22 3HD2 LEU 22 1.795 1.598 -25.201 172 HD22 LEU 22 1HD2 LEU 22 1.787 -0.093 -24.699 173 HD23 LEU 22 2HD2 LEU 22 2.989 0.476 -25.857 174 HA PRO 23 HA PRO 23 4.870 -5.095 -24.425 175 HB2 PRO 23 2HB PRO 23 5.288 -4.844 -27.096 176 HB3 PRO 23 3HB PRO 23 3.703 -5.203 -26.401 177 HG2 PRO 23 2HG PRO 23 4.808 -2.587 -27.348 178 HG3 PRO 23 3HG PRO 23 3.193 -3.277 -27.600 179 HD2 PRO 23 2HD PRO 23 3.695 -1.390 -25.724 180 HD3 PRO 23 3HD PRO 23 2.460 -2.647 -25.507 181 H GLY 24 H GLY 24 6.802 -4.723 -23.267 182 HA2 GLY 24 2HA GLY 24 9.165 -4.759 -24.736 183 HA3 GLY 24 3HA GLY 24 8.919 -3.097 -24.220 184 H GLU 25 H GLU 25 11.147 -4.307 -23.360 185 HA GLU 25 HA GLU 25 10.778 -5.622 -20.836 186 HB2 GLU 25 2HB GLU 25 13.258 -4.428 -22.088 187 HB3 GLU 25 3HB GLU 25 13.236 -5.430 -20.644 188 HG2 GLU 25 2HG GLU 25 12.610 -6.221 -23.467 189 HG3 GLU 25 3HG GLU 25 13.869 -6.847 -22.403 190 H LEU 26 H LEU 26 10.986 -2.365 -21.907 191 HA LEU 26 HA LEU 26 11.938 -1.185 -19.505 192 HB2 LEU 26 2HB LEU 26 11.659 -0.256 -21.966 193 HB3 LEU 26 3HB LEU 26 10.116 0.302 -21.324 194 HG LEU 26 HG LEU 26 12.877 1.070 -20.390 195 HD11 LEU 26 1HD1 LEU 26 12.497 2.481 -22.126 196 HD12 LEU 26 2HD1 LEU 26 11.633 3.368 -20.871 197 HD13 LEU 26 3HD1 LEU 26 10.742 2.347 -22.000 198 HD21 LEU 26 3HD2 LEU 26 11.464 2.641 -18.894 199 HD22 LEU 26 1HD2 LEU 26 11.724 0.973 -18.382 200 HD23 LEU 26 2HD2 LEU 26 10.191 1.440 -19.120 201 H GLY 27 H GLY 27 8.655 -1.375 -20.898 202 HA2 GLY 27 2HA GLY 27 7.249 -0.213 -18.822 203 HA3 GLY 27 3HA GLY 27 6.598 -1.456 -19.880 204 H LYS 28 H LYS 28 8.606 -3.429 -19.003 205 HA LYS 28 HA LYS 28 7.156 -4.721 -17.020 206 HB2 LYS 28 2HB LYS 28 9.763 -5.066 -18.311 207 HB3 LYS 28 3HB LYS 28 9.706 -5.698 -16.671 208 HG2 LYS 28 2HG LYS 28 7.610 -6.932 -17.360 209 HG3 LYS 28 3HG LYS 28 8.008 -6.483 -19.020 210 HD2 LYS 28 2HD LYS 28 10.315 -7.513 -18.518 211 HD3 LYS 28 3HD LYS 28 9.518 -8.263 -17.133 212 HE2 LYS 28 2HE LYS 28 7.793 -9.127 -18.782 213 HE3 LYS 28 3HE LYS 28 8.901 -8.619 -20.056 214 HZ1 LYS 28 3HZ LYS 28 8.952 -11.036 -19.011 215 HZ2 LYS 28 1HZ LYS 28 10.008 -10.276 -17.929 216 HZ3 LYS 28 2HZ LYS 28 10.348 -10.273 -19.586 217 H ARG 29 H ARG 29 9.557 -2.238 -16.756 218 HA ARG 29 HA ARG 29 9.874 -2.654 -13.887 219 HB2 ARG 29 2HB ARG 29 11.079 -0.428 -15.524 220 HB3 ARG 29 3HB ARG 29 11.626 -1.055 -13.975 221 HG2 ARG 29 2HG ARG 29 12.039 -3.252 -15.224 222 HG3 ARG 29 3HG ARG 29 11.885 -2.286 -16.693 223 HD2 ARG 29 2HD ARG 29 13.690 -0.831 -15.938 224 HD3 ARG 29 3HD ARG 29 13.827 -1.759 -14.445 225 HE ARG 29 HE ARG 29 14.888 -2.455 -17.015 226 HH11 ARG 29 1HH1 ARG 29 13.742 -3.712 -13.978 227 HH12 ARG 29 2HH1 ARG 29 14.654 -5.181 -14.092 228 HH21 ARG 29 1HH2 ARG 29 16.095 -4.384 -17.177 229 HH22 ARG 29 2HH2 ARG 29 15.993 -5.561 -15.912 230 H LEU 30 H LEU 30 8.011 -0.797 -16.071 231 HA LEU 30 HA LEU 30 7.522 1.476 -14.450 232 HB2 LEU 30 2HB LEU 30 6.427 0.310 -16.913 233 HB3 LEU 30 3HB LEU 30 5.286 1.275 -15.979 234 HG LEU 30 HG LEU 30 6.278 2.665 -17.657 235 HD11 LEU 30 1HD1 LEU 30 7.666 3.373 -15.087 236 HD12 LEU 30 2HD1 LEU 30 5.926 3.547 -15.313 237 HD13 LEU 30 3HD1 LEU 30 7.042 4.457 -16.331 238 HD21 LEU 30 3HD2 LEU 30 8.262 1.661 -18.300 239 HD22 LEU 30 1HD2 LEU 30 8.841 1.503 -16.641 240 HD23 LEU 30 2HD2 LEU 30 8.825 3.084 -17.423 241 H TYR 31 H TYR 31 5.880 -1.629 -14.832 242 HA TYR 31 HA TYR 31 3.760 -0.938 -13.016 243 HB2 TYR 31 2HB TYR 31 2.789 -2.910 -13.635 244 HB3 TYR 31 3HB TYR 31 3.890 -2.731 -14.997 245 HD1 TYR 31 HD2 TYR 31 3.239 -4.546 -11.874 246 HD2 TYR 31 HD1 TYR 31 5.804 -4.183 -15.248 247 HE1 TYR 31 HE2 TYR 31 4.249 -6.722 -11.333 248 HE2 TYR 31 HE1 TYR 31 6.821 -6.358 -14.717 249 HH TYR 31 HH TYR 31 6.485 -7.878 -11.789 250 H GLU 32 H GLU 32 6.947 -2.125 -12.725 251 HA GLU 32 HA GLU 32 6.441 -3.217 -10.053 252 HB2 GLU 32 2HB GLU 32 8.334 -4.476 -10.275 253 HB3 GLU 32 3HB GLU 32 7.930 -4.288 -11.975 254 HG2 GLU 32 2HG GLU 32 9.473 -2.286 -11.984 255 HG3 GLU 32 3HG GLU 32 10.015 -2.819 -10.394 256 H SER 33 H SER 33 7.056 -0.301 -11.361 257 HA SER 33 HA SER 33 8.599 0.582 -9.011 258 HB2 SER 33 2HB SER 33 9.799 0.662 -11.290 259 HB3 SER 33 3HB SER 33 8.707 1.993 -11.671 260 HG SER 33 HG SER 33 10.246 3.100 -10.723 261 H VAL 34 H VAL 34 6.155 1.419 -11.420 262 HA VAL 34 HA VAL 34 5.361 3.804 -9.985 263 HB VAL 34 HB VAL 34 4.021 2.468 -12.341 264 HG11 VAL 34 1HG1 VAL 34 3.519 5.198 -12.382 265 HG12 VAL 34 2HG1 VAL 34 2.385 3.923 -11.931 266 HG13 VAL 34 3HG1 VAL 34 3.333 4.742 -10.689 267 HG21 VAL 34 3HG2 VAL 34 6.225 3.063 -13.014 268 HG22 VAL 34 1HG2 VAL 34 5.141 4.307 -13.638 269 HG23 VAL 34 2HG2 VAL 34 6.118 4.626 -12.204 270 H SER 35 H SER 35 3.520 4.088 -8.789 271 HA SER 35 HA SER 35 2.076 1.627 -8.061 272 HB2 SER 35 2HB SER 35 3.176 3.833 -6.488 273 HB3 SER 35 3HB SER 35 1.494 3.481 -6.092 274 HG SER 35 HG SER 35 3.651 2.151 -5.342 275 H LYS 36 H LYS 36 -0.155 2.389 -6.955 276 HA LYS 36 HA LYS 36 -1.790 3.230 -9.091 277 HB2 LYS 36 2HB LYS 36 -2.353 1.819 -6.969 278 HB3 LYS 36 3HB LYS 36 -2.682 3.381 -6.230 279 HG2 LYS 36 2HG LYS 36 -4.756 2.641 -6.993 280 HG3 LYS 36 3HG LYS 36 -4.229 3.804 -8.212 281 HD2 LYS 36 2HD LYS 36 -4.936 2.070 -9.545 282 HD3 LYS 36 3HD LYS 36 -3.227 1.669 -9.363 283 HE2 LYS 36 2HE LYS 36 -3.798 0.134 -7.534 284 HE3 LYS 36 3HE LYS 36 -5.504 0.524 -7.748 285 HZ1 LYS 36 3HZ LYS 36 -5.662 -0.802 -9.527 286 HZ2 LYS 36 1HZ LYS 36 -4.246 -1.522 -8.945 287 HZ3 LYS 36 2HZ LYS 36 -4.159 -0.341 -10.153 288 H GLN 37 H GLN 37 -0.031 4.982 -6.731 289 HA GLN 37 HA GLN 37 -1.653 7.355 -6.817 290 HB2 GLN 37 2HB GLN 37 -0.087 6.572 -4.918 291 HB3 GLN 37 3HB GLN 37 1.206 7.256 -5.894 292 HG2 GLN 37 2HG GLN 37 0.367 8.782 -4.144 293 HG3 GLN 37 3HG GLN 37 0.232 9.435 -5.775 294 HE21 GLN 37 1HE2 GLN 37 -1.563 10.530 -6.043 295 HE22 GLN 37 2HE2 GLN 37 -3.106 10.153 -5.364 296 H ALA 38 H ALA 38 1.681 6.666 -7.892 297 HA ALA 38 HA ALA 38 1.882 9.022 -9.458 298 HB1 ALA 38 1HB ALA 38 3.768 7.589 -8.485 299 HB2 ALA 38 2HB ALA 38 3.543 6.563 -9.903 300 HB3 ALA 38 3HB ALA 38 3.994 8.257 -10.102 301 H TRP 39 H TRP 39 0.439 5.968 -10.018 302 HA TRP 39 HA TRP 39 0.697 5.589 -12.738 303 HB2 TRP 39 2HB TRP 39 -0.414 3.935 -11.402 304 HB3 TRP 39 3HB TRP 39 -1.669 5.078 -10.929 305 HD1 TRP 39 HD1 TRP 39 -3.862 4.597 -12.132 306 HE1 TRP 39 HE1 TRP 39 -4.554 3.709 -14.446 307 HE3 TRP 39 HE3 TRP 39 0.781 3.871 -14.144 308 HZ2 TRP 39 HZ2 TRP 39 -3.298 2.817 -16.812 309 HZ3 TRP 39 HZ3 TRP 39 0.949 2.997 -16.438 310 HH2 TRP 39 HH2 TRP 39 -1.049 2.481 -17.742 311 H GLN 40 H GLN 40 -1.210 7.948 -11.019 312 HA GLN 40 HA GLN 40 -2.705 8.736 -13.366 313 HB2 GLN 40 2HB GLN 40 -2.518 10.050 -10.650 314 HB3 GLN 40 3HB GLN 40 -3.674 10.455 -11.912 315 HG2 GLN 40 2HG GLN 40 -3.501 7.715 -10.699 316 HG3 GLN 40 3HG GLN 40 -4.506 8.997 -10.023 317 HE21 GLN 40 1HE2 GLN 40 -5.862 10.122 -11.815 318 HE22 GLN 40 2HE2 GLN 40 -6.720 9.045 -12.858 319 H ASP 41 H ASP 41 0.135 9.767 -11.615 320 HA ASP 41 HA ASP 41 0.395 12.341 -12.740 321 HB2 ASP 41 2HB ASP 41 1.630 11.354 -10.722 322 HB3 ASP 41 3HB ASP 41 2.712 10.610 -11.895 323 H TRP 42 H TRP 42 1.696 9.188 -13.708 324 HA TRP 42 HA TRP 42 3.251 10.082 -15.863 325 HB2 TRP 42 2HB TRP 42 3.428 7.821 -14.884 326 HB3 TRP 42 3HB TRP 42 1.848 7.419 -15.551 327 HD1 TRP 42 HD1 TRP 42 5.051 8.943 -17.157 328 HE1 TRP 42 HE1 TRP 42 5.546 7.627 -19.313 329 HE3 TRP 42 HE3 TRP 42 1.214 5.571 -16.949 330 HZ2 TRP 42 HZ2 TRP 42 4.454 5.449 -20.737 331 HZ3 TRP 42 HZ3 TRP 42 1.010 3.904 -18.747 332 HH2 TRP 42 HH2 TRP 42 2.597 3.846 -20.602 333 H LEU 43 H LEU 43 -0.162 9.639 -15.531 334 HA LEU 43 HA LEU 43 -0.700 9.561 -18.360 335 HB2 LEU 43 2HB LEU 43 -2.552 10.009 -16.024 336 HB3 LEU 43 3HB LEU 43 -3.053 9.723 -17.689 337 HG LEU 43 HG LEU 43 -1.429 7.705 -16.170 338 HD11 LEU 43 1HD1 LEU 43 -3.221 6.845 -15.099 339 HD12 LEU 43 2HD1 LEU 43 -4.352 7.339 -16.358 340 HD13 LEU 43 3HD1 LEU 43 -3.780 8.516 -15.176 341 HD21 LEU 43 3HD2 LEU 43 -1.685 7.587 -18.666 342 HD22 LEU 43 1HD2 LEU 43 -3.414 7.354 -18.407 343 HD23 LEU 43 2HD2 LEU 43 -2.263 6.172 -17.785 344 H LYS 44 H LYS 44 -0.268 11.981 -15.948 345 HA LYS 44 HA LYS 44 -1.713 14.076 -17.226 346 HB2 LYS 44 2HB LYS 44 -1.295 14.346 -14.911 347 HB3 LYS 44 3HB LYS 44 0.423 14.023 -15.103 348 HG2 LYS 44 2HG LYS 44 0.028 16.376 -14.680 349 HG3 LYS 44 3HG LYS 44 0.690 16.137 -16.299 350 HD2 LYS 44 2HD LYS 44 -1.063 17.729 -16.500 351 HD3 LYS 44 3HD LYS 44 -1.677 16.210 -17.157 352 HE2 LYS 44 2HE LYS 44 -2.893 15.769 -15.125 353 HE3 LYS 44 3HE LYS 44 -2.177 17.179 -14.345 354 HZ1 LYS 44 3HZ LYS 44 -4.353 17.027 -16.264 355 HZ2 LYS 44 1HZ LYS 44 -3.275 18.313 -16.478 356 HZ3 LYS 44 2HZ LYS 44 -4.091 18.129 -15.008 357 H GLN 45 H GLN 45 1.800 13.525 -16.903 358 HA GLN 45 HA GLN 45 2.541 15.507 -18.759 359 HB2 GLN 45 2HB GLN 45 4.747 14.568 -18.660 360 HB3 GLN 45 3HB GLN 45 4.049 14.492 -17.047 361 HG2 GLN 45 2HG GLN 45 3.619 12.154 -17.267 362 HG3 GLN 45 3HG GLN 45 4.078 12.180 -18.969 363 HE21 GLN 45 1HE2 GLN 45 6.148 11.870 -19.503 364 HE22 GLN 45 2HE2 GLN 45 7.450 11.724 -18.377 365 H GLN 46 H GLN 46 1.621 12.162 -19.131 366 HA GLN 46 HA GLN 46 2.637 11.609 -21.656 367 HB2 GLN 46 2HB GLN 46 0.618 10.502 -19.899 368 HB3 GLN 46 3HB GLN 46 0.124 10.384 -21.583 369 HG2 GLN 46 2HG GLN 46 2.168 9.212 -22.132 370 HG3 GLN 46 3HG GLN 46 2.740 9.391 -20.474 371 HE21 GLN 46 1HE2 GLN 46 1.734 7.149 -22.438 372 HE22 GLN 46 2HE2 GLN 46 0.807 6.140 -21.386 373 H THR 47 H THR 47 -0.429 13.152 -20.760 374 HA THR 47 HA THR 47 -1.337 13.476 -23.438 375 HB THR 47 HB THR 47 -2.177 14.940 -20.928 376 HG1 THR 47 HG1 THR 47 -3.932 13.419 -21.040 377 HG21 THR 47 3HG2 THR 47 -2.813 15.438 -23.656 378 HG22 THR 47 1HG2 THR 47 -3.467 16.218 -22.217 379 HG23 THR 47 2HG2 THR 47 -4.245 14.775 -22.868 380 H MET 48 H MET 48 0.320 15.599 -21.135 381 HA MET 48 HA MET 48 0.263 17.943 -22.669 382 HB2 MET 48 2HB MET 48 2.184 16.959 -20.565 383 HB3 MET 48 3HB MET 48 2.332 18.546 -21.309 384 HG2 MET 48 2HG MET 48 -0.049 18.965 -20.562 385 HG3 MET 48 3HG MET 48 0.106 17.503 -19.590 386 HE1 MET 48 3HE MET 48 0.553 21.480 -18.556 387 HE2 MET 48 1HE MET 48 2.072 21.458 -19.452 388 HE3 MET 48 2HE MET 48 0.583 20.919 -20.229 389 H LEU 49 H LEU 49 2.548 15.251 -22.616 390 HA LEU 49 HA LEU 49 4.424 16.436 -24.392 391 HB2 LEU 49 2HB LEU 49 3.963 13.752 -23.229 392 HB3 LEU 49 3HB LEU 49 4.923 13.829 -24.706 393 HG LEU 49 HG LEU 49 6.153 13.825 -22.458 394 HD11 LEU 49 1HD1 LEU 49 6.681 15.064 -24.941 395 HD12 LEU 49 2HD1 LEU 49 7.834 14.453 -23.755 396 HD13 LEU 49 3HD1 LEU 49 7.295 16.130 -23.677 397 HD21 LEU 49 3HD2 LEU 49 5.689 16.769 -22.458 398 HD22 LEU 49 1HD2 LEU 49 6.204 15.707 -21.147 399 HD23 LEU 49 2HD2 LEU 49 4.517 15.715 -21.665 400 H ILE 50 H ILE 50 1.769 14.127 -24.836 401 HA ILE 50 HA ILE 50 2.175 13.723 -27.604 402 HB ILE 50 HB ILE 50 -0.343 13.418 -25.964 403 HG12 ILE 50 2HG1 ILE 50 1.375 11.179 -26.980 404 HG13 ILE 50 3HG1 ILE 50 1.825 12.027 -25.504 405 HG21 ILE 50 1HG2 ILE 50 0.301 12.458 -28.749 406 HG22 ILE 50 2HG2 ILE 50 -1.110 11.968 -27.813 407 HG23 ILE 50 3HG2 ILE 50 -0.915 13.653 -28.297 408 HD11 ILE 50 3HD1 ILE 50 -0.917 11.378 -25.309 409 HD12 ILE 50 1HD1 ILE 50 -0.058 9.937 -25.854 410 HD13 ILE 50 2HD1 ILE 50 0.434 10.748 -24.367 411 H ASN 51 H ASN 51 0.326 16.084 -25.769 412 HA ASN 51 HA ASN 51 -0.979 17.183 -28.083 413 HB2 ASN 51 2HB ASN 51 -0.796 17.985 -25.189 414 HB3 ASN 51 3HB ASN 51 -1.518 19.061 -26.382 415 HD21 ASN 51 1HD2 ASN 51 -1.644 15.539 -26.108 416 HD22 ASN 51 2HD2 ASN 51 -3.363 15.438 -25.961 417 H GLU 52 H GLU 52 1.804 18.021 -26.079 418 HA GLU 52 HA GLU 52 2.323 20.512 -27.352 419 HB2 GLU 52 2HB GLU 52 3.177 20.120 -25.134 420 HB3 GLU 52 3HB GLU 52 4.070 18.707 -25.677 421 HG2 GLU 52 2HG GLU 52 5.568 20.567 -25.355 422 HG3 GLU 52 3HG GLU 52 5.487 20.143 -27.064 423 H ASN 53 H ASN 53 3.870 17.313 -27.616 424 HA ASN 53 HA ASN 53 5.479 18.142 -29.853 425 HB2 ASN 53 2HB ASN 53 5.014 15.449 -28.561 426 HB3 ASN 53 3HB ASN 53 6.106 15.699 -29.921 427 HD21 ASN 53 1HD2 ASN 53 5.478 16.537 -26.575 428 HD22 ASN 53 2HD2 ASN 53 7.107 16.954 -26.178 429 H ARG 54 H ARG 54 2.307 17.026 -29.450 430 HA ARG 54 HA ARG 54 0.664 16.395 -30.890 431 HB2 ARG 54 2HB ARG 54 2.565 17.846 -32.700 432 HB3 ARG 54 3HB ARG 54 1.142 17.055 -33.366 433 HG2 ARG 54 2HG ARG 54 0.250 19.100 -33.016 434 HG3 ARG 54 3HG ARG 54 -0.036 18.425 -31.410 435 HD2 ARG 54 2HD ARG 54 1.802 19.559 -30.489 436 HD3 ARG 54 3HD ARG 54 2.483 19.915 -32.075 437 HE ARG 54 HE ARG 54 -0.079 21.113 -31.718 438 HH11 ARG 54 1HH1 ARG 54 3.302 21.451 -30.963 439 HH12 ARG 54 2HH1 ARG 54 3.226 23.174 -30.792 440 HH21 ARG 54 1HH2 ARG 54 -0.193 23.380 -31.495 441 HH22 ARG 54 2HH2 ARG 54 1.237 24.270 -31.093 442 H LEU 55 H LEU 55 2.336 14.355 -30.148 443 HA LEU 55 HA LEU 55 3.298 12.890 -32.415 444 HB2 LEU 55 2HB LEU 55 2.728 11.821 -29.660 445 HB3 LEU 55 3HB LEU 55 3.821 11.151 -30.869 446 HG LEU 55 HG LEU 55 4.211 13.707 -29.315 447 HD11 LEU 55 1HD1 LEU 55 4.956 12.253 -27.783 448 HD12 LEU 55 2HD1 LEU 55 6.359 12.108 -28.842 449 HD13 LEU 55 3HD1 LEU 55 5.053 10.927 -28.942 450 HD21 LEU 55 3HD2 LEU 55 6.533 13.492 -30.422 451 HD22 LEU 55 1HD2 LEU 55 5.203 14.165 -31.364 452 HD23 LEU 55 2HD2 LEU 55 5.699 12.491 -31.612 453 H ASN 56 H ASN 56 2.539 10.541 -32.687 454 HA ASN 56 HA ASN 56 -0.404 10.543 -32.794 455 HB2 ASN 56 2HB ASN 56 0.890 10.510 -34.979 456 HB3 ASN 56 3HB ASN 56 1.441 8.899 -34.530 457 HD21 ASN 56 1HD2 ASN 56 0.269 7.271 -35.229 458 HD22 ASN 56 2HD2 ASN 56 -1.386 7.344 -35.717 459 H MET 57 H MET 57 -0.782 9.607 -30.791 460 HA MET 57 HA MET 57 0.510 7.461 -29.634 461 HB2 MET 57 2HB MET 57 -2.451 8.058 -29.499 462 HB3 MET 57 3HB MET 57 -1.540 7.083 -28.353 463 HG2 MET 57 2HG MET 57 -0.327 8.974 -27.584 464 HG3 MET 57 3HG MET 57 -0.955 9.981 -28.887 465 HE1 MET 57 3HE MET 57 -4.272 10.299 -28.691 466 HE2 MET 57 1HE MET 57 -3.769 11.653 -27.677 467 HE3 MET 57 2HE MET 57 -2.754 11.135 -29.023 468 H ALA 58 H ALA 58 -1.817 7.489 -32.232 469 HA ALA 58 HA ALA 58 -2.704 4.868 -32.234 470 HB1 ALA 58 1HB ALA 58 -2.323 5.526 -34.926 471 HB2 ALA 58 2HB ALA 58 -3.791 5.730 -33.968 472 HB3 ALA 58 3HB ALA 58 -2.633 7.053 -34.099 473 H ASP 59 H ASP 59 0.409 6.148 -33.108 474 HA ASP 59 HA ASP 59 1.255 3.478 -34.017 475 HB2 ASP 59 2HB ASP 59 2.075 6.239 -34.773 476 HB3 ASP 59 3HB ASP 59 3.316 4.989 -34.789 477 HA PRO 60 HA PRO 60 3.943 2.959 -30.592 478 HB2 PRO 60 2HB PRO 60 6.131 1.821 -31.728 479 HB3 PRO 60 3HB PRO 60 4.597 0.965 -31.527 480 HG2 PRO 60 2HG PRO 60 5.708 2.317 -33.956 481 HG3 PRO 60 3HG PRO 60 4.881 0.753 -33.825 482 HD2 PRO 60 2HD PRO 60 3.628 2.996 -34.678 483 HD3 PRO 60 3HD PRO 60 2.790 1.721 -33.771 484 H ARG 61 H ARG 61 4.832 5.010 -33.171 485 HA ARG 61 HA ARG 61 7.405 5.816 -32.403 486 HB2 ARG 61 2HB ARG 61 5.270 7.487 -33.743 487 HB3 ARG 61 3HB ARG 61 6.998 7.813 -33.744 488 HG2 ARG 61 2HG ARG 61 5.621 5.464 -35.028 489 HG3 ARG 61 3HG ARG 61 6.326 6.855 -35.854 490 HD2 ARG 61 2HD ARG 61 8.535 6.235 -34.958 491 HD3 ARG 61 3HD ARG 61 7.812 4.819 -34.196 492 HE ARG 61 HE ARG 61 7.762 3.775 -36.241 493 HH11 ARG 61 1HH1 ARG 61 8.453 7.159 -36.674 494 HH12 ARG 61 2HH1 ARG 61 8.851 6.997 -38.353 495 HH21 ARG 61 1HH2 ARG 61 8.284 3.548 -38.450 496 HH22 ARG 61 2HH2 ARG 61 8.754 4.943 -39.362 497 H ALA 62 H ALA 62 4.210 6.967 -31.423 498 HA ALA 62 HA ALA 62 5.286 9.044 -29.740 499 HB1 ALA 62 1HB ALA 62 2.469 7.977 -29.826 500 HB2 ALA 62 2HB ALA 62 3.006 9.514 -29.148 501 HB3 ALA 62 3HB ALA 62 3.093 9.238 -30.888 502 H ARG 63 H ARG 63 4.585 5.704 -29.421 503 HA ARG 63 HA ARG 63 4.292 5.776 -26.541 504 HB2 ARG 63 2HB ARG 63 4.761 3.272 -28.125 505 HB3 ARG 63 3HB ARG 63 3.822 3.493 -26.655 506 HG2 ARG 63 2HG ARG 63 3.077 4.343 -29.442 507 HG3 ARG 63 3HG ARG 63 2.313 3.096 -28.454 508 HD2 ARG 63 2HD ARG 63 2.263 6.077 -28.067 509 HD3 ARG 63 3HD ARG 63 0.902 4.987 -28.332 510 HE ARG 63 HE ARG 63 2.084 4.146 -25.995 511 HH11 ARG 63 1HH1 ARG 63 0.633 7.083 -27.173 512 HH12 ARG 63 2HH1 ARG 63 0.082 7.592 -25.611 513 HH21 ARG 63 1HH2 ARG 63 1.365 4.805 -23.933 514 HH22 ARG 63 2HH2 ARG 63 0.500 6.296 -23.769 515 H GLN 64 H GLN 64 6.789 5.193 -28.901 516 HA GLN 64 HA GLN 64 8.640 4.064 -27.003 517 HB2 GLN 64 2HB GLN 64 8.516 3.680 -29.575 518 HB3 GLN 64 3HB GLN 64 9.437 5.175 -29.673 519 HG2 GLN 64 2HG GLN 64 11.196 4.195 -28.305 520 HG3 GLN 64 3HG GLN 64 10.270 2.701 -28.175 521 HE21 GLN 64 1HE2 GLN 64 12.834 2.701 -29.141 522 HE22 GLN 64 2HE2 GLN 64 12.819 2.320 -30.826 523 H TYR 65 H TYR 65 7.823 7.212 -28.194 524 HA TYR 65 HA TYR 65 10.262 8.482 -27.369 525 HB2 TYR 65 2HB TYR 65 9.064 9.515 -29.157 526 HB3 TYR 65 3HB TYR 65 7.572 9.553 -28.224 527 HD1 TYR 65 HD2 TYR 65 10.912 11.068 -28.605 528 HD2 TYR 65 HD1 TYR 65 7.129 11.316 -26.672 529 HE1 TYR 65 HE2 TYR 65 11.462 13.337 -27.832 530 HE2 TYR 65 HE1 TYR 65 7.668 13.586 -25.895 531 HH TYR 65 HH TYR 65 10.283 15.371 -27.108 532 H LEU 66 H LEU 66 6.957 8.292 -26.088 533 HA LEU 66 HA LEU 66 7.298 9.945 -23.866 534 HB2 LEU 66 2HB LEU 66 5.430 7.783 -24.634 535 HB3 LEU 66 3HB LEU 66 5.500 8.200 -22.923 536 HG LEU 66 HG LEU 66 5.026 10.287 -25.030 537 HD11 LEU 66 1HD1 LEU 66 3.043 8.425 -23.756 538 HD12 LEU 66 2HD1 LEU 66 3.277 8.778 -25.468 539 HD13 LEU 66 3HD1 LEU 66 2.585 10.001 -24.402 540 HD21 LEU 66 3HD2 LEU 66 4.315 11.629 -23.281 541 HD22 LEU 66 1HD2 LEU 66 5.660 10.743 -22.560 542 HD23 LEU 66 2HD2 LEU 66 3.999 10.256 -22.219 543 H MET 67 H MET 67 7.970 6.508 -24.297 544 HA MET 67 HA MET 67 8.482 5.820 -21.644 545 HB2 MET 67 2HB MET 67 9.549 4.765 -24.253 546 HB3 MET 67 3HB MET 67 10.046 4.081 -22.711 547 HG2 MET 67 2HG MET 67 7.903 3.292 -22.234 548 HG3 MET 67 3HG MET 67 7.155 4.334 -23.442 549 HE1 MET 67 3HE MET 67 8.396 1.308 -22.323 550 HE2 MET 67 1HE MET 67 7.624 0.246 -23.501 551 HE3 MET 67 2HE MET 67 9.360 0.544 -23.588 552 H LYS 68 H LYS 68 10.319 7.722 -23.856 553 HA LYS 68 HA LYS 68 12.841 7.432 -22.523 554 HB2 LYS 68 2HB LYS 68 11.927 9.572 -24.453 555 HB3 LYS 68 3HB LYS 68 13.589 9.244 -23.982 556 HG2 LYS 68 2HG LYS 68 12.005 7.033 -25.175 557 HG3 LYS 68 3HG LYS 68 12.584 8.323 -26.232 558 HD2 LYS 68 2HD LYS 68 14.322 6.797 -26.321 559 HD3 LYS 68 3HD LYS 68 14.865 7.906 -25.060 560 HE2 LYS 68 2HE LYS 68 14.506 6.385 -23.380 561 HE3 LYS 68 3HE LYS 68 13.249 5.532 -24.275 562 HZ1 LYS 68 3HZ LYS 68 15.252 4.944 -25.823 563 HZ2 LYS 68 1HZ LYS 68 14.958 4.050 -24.416 564 HZ3 LYS 68 2HZ LYS 68 16.161 5.239 -24.427 565 H GLN 69 H GLN 69 10.018 9.308 -22.022 566 HA GLN 69 HA GLN 69 11.394 11.332 -20.449 567 HB2 GLN 69 2HB GLN 69 8.414 11.002 -20.753 568 HB3 GLN 69 3HB GLN 69 9.302 12.451 -20.303 569 HG2 GLN 69 2HG GLN 69 9.326 11.120 -23.002 570 HG3 GLN 69 3HG GLN 69 8.479 12.606 -22.576 571 HE21 GLN 69 1HE2 GLN 69 9.730 14.463 -22.042 572 HE22 GLN 69 2HE2 GLN 69 11.334 14.645 -22.657 573 H THR 70 H THR 70 9.675 8.371 -20.011 574 HA THR 70 HA THR 70 9.243 8.831 -17.170 575 HB THR 70 HB THR 70 8.793 6.144 -18.366 576 HG1 THR 70 HG1 THR 70 7.296 8.475 -19.013 577 HG21 THR 70 3HG2 THR 70 8.155 6.349 -16.109 578 HG22 THR 70 1HG2 THR 70 6.647 6.467 -17.015 579 HG23 THR 70 2HG2 THR 70 7.407 7.924 -16.376 580 H GLU 71 H GLU 71 11.304 6.933 -19.300 581 HA GLU 71 HA GLU 71 12.510 5.403 -17.212 582 HB2 GLU 71 2HB GLU 71 12.403 4.751 -19.650 583 HB3 GLU 71 3HB GLU 71 13.647 5.956 -19.953 584 HG2 GLU 71 2HG GLU 71 15.012 4.705 -18.180 585 HG3 GLU 71 3HG GLU 71 13.846 3.402 -18.406 586 H LYS 72 H LYS 72 13.773 8.035 -19.265 587 HA LYS 72 HA LYS 72 16.175 8.404 -17.895 588 HB2 LYS 72 2HB LYS 72 15.022 9.499 -20.116 589 HB3 LYS 72 3HB LYS 72 14.961 10.851 -18.993 590 HG2 LYS 72 2HG LYS 72 17.507 9.336 -19.345 591 HG3 LYS 72 3HG LYS 72 17.019 10.536 -20.544 592 HD2 LYS 72 2HD LYS 72 17.651 12.209 -19.216 593 HD3 LYS 72 3HD LYS 72 16.696 11.573 -17.874 594 HE2 LYS 72 2HE LYS 72 18.730 11.348 -16.916 595 HE3 LYS 72 3HE LYS 72 18.746 9.842 -17.830 596 HZ1 LYS 72 3HZ LYS 72 20.753 10.775 -18.392 597 HZ2 LYS 72 1HZ LYS 72 20.161 12.360 -18.383 598 HZ3 LYS 72 2HZ LYS 72 19.780 11.323 -19.663 599 H TYR 73 H TYR 73 12.989 9.164 -16.958 600 HA TYR 73 HA TYR 73 13.506 11.391 -15.281 601 HB2 TYR 73 2HB TYR 73 11.251 10.991 -15.969 602 HB3 TYR 73 3HB TYR 73 11.276 9.355 -15.319 603 HD1 TYR 73 HD1 TYR 73 11.875 12.841 -14.091 604 HD2 TYR 73 HD2 TYR 73 10.131 9.031 -13.350 605 HE1 TYR 73 HE1 TYR 73 10.960 13.680 -11.967 606 HE2 TYR 73 HE2 TYR 73 9.210 9.860 -11.225 607 HH TYR 73 HH TYR 73 8.676 11.855 -10.103 608 H PHE 74 H PHE 74 12.509 8.152 -14.193 609 HA PHE 74 HA PHE 74 14.060 8.544 -11.751 610 HB2 PHE 74 2HB PHE 74 11.736 7.822 -11.503 611 HB3 PHE 74 3HB PHE 74 12.055 6.404 -12.496 612 HD1 PHE 74 HD1 PHE 74 13.798 7.991 -9.601 613 HD2 PHE 74 HD2 PHE 74 12.023 4.489 -11.245 614 HE1 PHE 74 HE1 PHE 74 14.430 6.728 -7.585 615 HE2 PHE 74 HE2 PHE 74 12.652 3.221 -9.232 616 HZ PHE 74 HZ PHE 74 13.856 4.341 -7.399 617 H PHE 75 H PHE 75 13.659 6.125 -14.325 618 HA PHE 75 HA PHE 75 15.766 4.451 -13.427 619 HB2 PHE 75 2HB PHE 75 14.629 4.660 -16.222 620 HB3 PHE 75 3HB PHE 75 15.520 3.300 -15.547 621 HD1 PHE 75 HD2 PHE 75 14.139 3.368 -12.812 622 HD2 PHE 75 HD1 PHE 75 12.659 3.472 -16.802 623 HE1 PHE 75 HE2 PHE 75 12.026 2.364 -12.051 624 HE2 PHE 75 HE1 PHE 75 10.544 2.468 -16.047 625 HZ PHE 75 HZ PHE 75 10.225 1.912 -13.669 626 H GLY 76 H GLY 76 15.833 7.492 -14.785 627 HA2 GLY 76 2HA GLY 76 18.544 7.044 -15.876 628 HA3 GLY 76 3HA GLY 76 17.440 8.264 -16.491 629 H GLU 77 H GLU 77 17.511 10.263 -15.649 630 HA GLU 77 HA GLU 77 19.628 11.166 -14.146 631 HB2 GLU 77 2HB GLU 77 18.503 13.237 -13.962 632 HB3 GLU 77 3HB GLU 77 17.955 12.534 -15.477 633 HG2 GLU 77 2HG GLU 77 15.891 11.813 -14.423 634 HG3 GLU 77 3HG GLU 77 16.441 12.458 -12.877 635 H GLY 78 H GLY 78 16.589 9.827 -13.048 636 HA2 GLY 78 2HA GLY 78 17.154 10.524 -10.273 637 HA3 GLY 78 3HA GLY 78 15.705 9.731 -10.873 638 H ALA 79 H ALA 79 19.088 8.817 -11.388 639 HA ALA 79 HA ALA 79 18.632 6.410 -9.761 640 HB1 ALA 79 1HB ALA 79 18.398 6.079 -12.308 641 HB2 ALA 79 2HB ALA 79 20.154 6.245 -12.335 642 HB3 ALA 79 3HB ALA 79 19.405 4.953 -11.397 643 H ASP 80 H ASP 80 20.985 5.169 -9.907 644 HA ASP 80 HA ASP 80 22.950 7.192 -9.052 645 HB2 ASP 80 2HB ASP 80 22.900 4.388 -7.967 646 HB3 ASP 80 3HB ASP 80 23.656 5.823 -7.280 647 H GLN 81 H GLN 81 23.021 6.637 -11.643 648 HA GLN 81 HA GLN 81 25.291 4.780 -11.923 649 HB2 GLN 81 2HB GLN 81 24.504 4.354 -14.246 650 HB3 GLN 81 3HB GLN 81 23.389 3.784 -13.012 651 HG2 GLN 81 2HG GLN 81 22.201 6.042 -13.354 652 HG3 GLN 81 3HG GLN 81 23.122 6.122 -14.855 653 HE21 GLN 81 1HE2 GLN 81 20.883 6.152 -15.715 654 HE22 GLN 81 2HE2 GLN 81 20.130 4.634 -16.052 655 H ALA 82 H ALA 82 26.811 5.310 -13.626 656 HA ALA 82 HA ALA 82 28.244 6.734 -14.673 657 HB1 ALA 82 1HB ALA 82 25.938 8.590 -15.155 658 HB2 ALA 82 2HB ALA 82 27.343 8.279 -16.175 659 HB3 ALA 82 3HB ALA 82 26.083 7.056 -16.014 660 H SER 83 H SER 83 28.367 6.972 -11.998 661 HA SER 83 HA SER 83 28.454 9.874 -11.497 662 HB2 SER 83 2HB SER 83 28.148 9.447 -9.175 663 HB3 SER 83 3HB SER 83 26.973 8.432 -10.011 664 HG SER 83 HG SER 83 28.309 7.439 -8.280 665 H GLY 84 H GLY 84 30.480 8.248 -12.879 666 HA2 GLY 84 2HA GLY 84 32.727 8.794 -11.044 667 HA3 GLY 84 3HA GLY 84 32.677 7.326 -12.009 668 H TYR 85 H TYR 85 33.339 7.374 -14.103 669 HA TYR 85 HA TYR 85 34.421 9.941 -15.046 670 HB2 TYR 85 2HB TYR 85 35.384 7.176 -15.135 671 HB3 TYR 85 3HB TYR 85 35.505 8.008 -16.682 672 HD1 TYR 85 HD2 TYR 85 36.444 10.535 -16.401 673 HD2 TYR 85 HD1 TYR 85 37.236 7.281 -13.776 674 HE1 TYR 85 HE2 TYR 85 38.498 11.654 -15.643 675 HE2 TYR 85 HE1 TYR 85 39.292 8.393 -13.010 676 HH TYR 85 HH TYR 85 40.650 10.132 -13.263 677 H VAL 86 H VAL 86 34.531 10.073 -17.516 678 HA VAL 86 HA VAL 86 32.476 8.726 -18.997 679 HB VAL 86 HB VAL 86 31.021 10.290 -17.901 680 HG11 VAL 86 1HG1 VAL 86 31.939 12.806 -18.847 681 HG12 VAL 86 2HG1 VAL 86 31.746 12.260 -17.180 682 HG13 VAL 86 3HG1 VAL 86 33.276 12.007 -18.021 683 HG21 VAL 86 3HG2 VAL 86 31.026 9.921 -20.510 684 HG22 VAL 86 1HG2 VAL 86 29.926 11.073 -19.754 685 HG23 VAL 86 2HG2 VAL 86 31.406 11.643 -20.526 686 HA PRO 87 HA PRO 87 36.068 10.303 -21.451 687 HB2 PRO 87 2HB PRO 87 36.459 7.974 -22.790 688 HB3 PRO 87 3HB PRO 87 37.171 8.302 -21.206 689 HG2 PRO 87 2HG PRO 87 34.724 6.719 -21.891 690 HG3 PRO 87 3HG PRO 87 36.011 6.343 -20.731 691 HD2 PRO 87 2HD PRO 87 33.620 7.366 -19.975 692 HD3 PRO 87 3HD PRO 87 35.129 7.729 -19.113 693 HA PRO 88 HA PRO 88 33.889 11.133 -25.178 694 HB2 PRO 88 2HB PRO 88 35.838 10.979 -27.062 695 HB3 PRO 88 3HB PRO 88 35.732 12.302 -25.895 696 HG2 PRO 88 2HG PRO 88 37.465 9.862 -25.839 697 HG3 PRO 88 3HG PRO 88 37.884 11.541 -25.450 698 HD2 PRO 88 2HD PRO 88 37.359 9.691 -23.543 699 HD3 PRO 88 3HD PRO 88 36.971 11.411 -23.337 700 H ALA 89 H ALA 89 33.699 10.306 -27.565 701 HA ALA 89 HA ALA 89 32.783 7.627 -27.444 702 HB1 ALA 89 1HB ALA 89 31.944 9.544 -28.926 703 HB2 ALA 89 2HB ALA 89 33.269 9.108 -30.006 704 HB3 ALA 89 3HB ALA 89 32.015 7.927 -29.627 705 H GLN 90 H GLN 90 33.607 5.752 -28.307 706 HA GLN 90 HA GLN 90 36.338 5.325 -28.266 707 HB2 GLN 90 2HB GLN 90 35.819 3.212 -29.541 708 HB3 GLN 90 3HB GLN 90 34.881 3.453 -28.073 709 HG2 GLN 90 2HG GLN 90 32.937 3.956 -29.251 710 HG3 GLN 90 3HG GLN 90 33.817 4.289 -30.742 711 HE21 GLN 90 1HE2 GLN 90 35.176 2.294 -31.450 712 HE22 GLN 90 2HE2 GLN 90 34.307 0.801 -31.479 713 H GLY 91 H GLY 91 34.301 6.400 -30.892 714 HA2 GLY 91 2HA GLY 91 35.140 7.657 -32.720 715 HA3 GLY 91 3HA GLY 91 36.713 6.910 -32.477 Start of MODEL 5 1 H1 MET 1 H MET 1 -4.496 0.832 -1.577 2 HA MET 1 HA MET 1 -1.550 0.845 -1.647 3 HB2 MET 1 2HB MET 1 -3.334 -1.540 -1.130 4 HB3 MET 1 3HB MET 1 -1.575 -1.533 -1.131 5 HG2 MET 1 2HG MET 1 -1.704 0.124 0.765 6 HG3 MET 1 3HG MET 1 -3.428 -0.235 0.842 7 HE1 MET 1 3HE MET 1 -4.133 -1.486 2.707 8 HE2 MET 1 1HE MET 1 -3.151 -2.586 3.674 9 HE3 MET 1 2HE MET 1 -2.717 -0.880 3.568 10 H ALA 2 H ALA 2 -0.538 -0.140 -3.398 11 HA ALA 2 HA ALA 2 -2.287 -1.005 -5.601 12 HB1 ALA 2 1HB ALA 2 0.033 0.908 -5.790 13 HB2 ALA 2 2HB ALA 2 -0.757 0.163 -7.180 14 HB3 ALA 2 3HB ALA 2 -1.665 1.248 -6.126 15 H ARG 3 H ARG 3 1.232 -0.616 -5.275 16 HA ARG 3 HA ARG 3 1.608 -3.495 -5.218 17 HB2 ARG 3 2HB ARG 3 1.532 -2.306 -7.676 18 HB3 ARG 3 3HB ARG 3 3.247 -2.216 -7.301 19 HG2 ARG 3 2HG ARG 3 3.100 -4.229 -8.400 20 HG3 ARG 3 3HG ARG 3 2.989 -4.729 -6.711 21 HD2 ARG 3 2HD ARG 3 0.384 -4.310 -7.255 22 HD3 ARG 3 3HD ARG 3 0.959 -4.791 -8.851 23 HE ARG 3 HE ARG 3 1.990 -6.684 -7.207 24 HH11 ARG 3 1HH1 ARG 3 -1.214 -5.426 -7.728 25 HH12 ARG 3 2HH1 ARG 3 -2.005 -6.913 -7.323 26 HH21 ARG 3 1HH2 ARG 3 0.960 -8.647 -6.671 27 HH22 ARG 3 2HH2 ARG 3 -0.767 -8.745 -6.721 28 H MET 4 H MET 4 4.280 -3.650 -5.742 29 HA MET 4 HA MET 4 5.588 -1.661 -4.038 30 HB2 MET 4 2HB MET 4 6.809 -3.602 -2.907 31 HB3 MET 4 3HB MET 4 5.144 -3.311 -2.422 32 HG2 MET 4 2HG MET 4 4.429 -5.105 -3.970 33 HG3 MET 4 3HG MET 4 6.127 -5.438 -4.306 34 HE1 MET 4 3HE MET 4 3.440 -6.826 -1.139 35 HE2 MET 4 1HE MET 4 3.220 -6.268 -2.798 36 HE3 MET 4 2HE MET 4 3.889 -7.870 -2.488 37 H ILE 5 H ILE 5 6.882 -0.839 -5.602 38 HA ILE 5 HA ILE 5 8.811 -2.697 -6.820 39 HB ILE 5 HB ILE 5 8.755 -1.537 -8.911 40 HG12 ILE 5 2HG1 ILE 5 6.556 0.201 -8.765 41 HG13 ILE 5 3HG1 ILE 5 7.512 0.540 -7.326 42 HG21 ILE 5 1HG2 ILE 5 6.409 -1.933 -9.622 43 HG22 ILE 5 2HG2 ILE 5 7.106 -3.268 -8.706 44 HG23 ILE 5 3HG2 ILE 5 5.976 -2.160 -7.927 45 HD11 ILE 5 3HD1 ILE 5 8.380 0.694 -10.196 46 HD12 ILE 5 1HD1 ILE 5 8.258 2.004 -9.022 47 HD13 ILE 5 2HD1 ILE 5 9.502 0.768 -8.837 48 H HIS 6 H HIS 6 10.720 -1.433 -7.768 49 HA HIS 6 HA HIS 6 11.575 0.509 -5.745 50 HB2 HIS 6 2HB HIS 6 13.873 0.044 -6.728 51 HB3 HIS 6 3HB HIS 6 13.101 -1.302 -5.896 52 HD1 HIS 6 HD1 HIS 6 12.201 -3.255 -7.397 53 HD2 HIS 6 HD2 HIS 6 14.376 -0.352 -9.421 54 HE1 HIS 6 HE1 HIS 6 12.757 -4.268 -9.630 55 H CYS 7 H CYS 7 10.866 2.473 -6.418 56 HA CYS 7 HA CYS 7 10.551 3.436 -8.965 57 HB2 CYS 7 2HB CYS 7 9.978 4.549 -6.722 58 HB3 CYS 7 3HB CYS 7 11.622 5.175 -6.750 59 HG CYS 7 HG CYS 7 10.460 5.903 -9.650 60 H ALA 8 H ALA 8 11.899 3.656 -10.611 61 HA ALA 8 HA ALA 8 14.759 3.600 -10.203 62 HB1 ALA 8 1HB ALA 8 13.173 2.631 -12.166 63 HB2 ALA 8 2HB ALA 8 13.738 4.127 -12.910 64 HB3 ALA 8 3HB ALA 8 14.902 2.928 -12.345 65 H LYS 9 H LYS 9 12.579 5.998 -9.946 66 HA LYS 9 HA LYS 9 14.258 8.037 -11.226 67 HB2 LYS 9 2HB LYS 9 11.645 7.812 -11.482 68 HB3 LYS 9 3HB LYS 9 11.629 8.658 -9.941 69 HG2 LYS 9 2HG LYS 9 13.160 9.712 -12.292 70 HG3 LYS 9 3HG LYS 9 11.441 10.050 -12.070 71 HD2 LYS 9 2HD LYS 9 12.263 10.722 -9.644 72 HD3 LYS 9 3HD LYS 9 13.787 10.981 -10.495 73 HE2 LYS 9 2HE LYS 9 12.797 13.056 -10.665 74 HE3 LYS 9 3HE LYS 9 12.303 12.302 -12.179 75 HZ1 LYS 9 3HZ LYS 9 10.441 13.396 -11.133 76 HZ2 LYS 9 1HZ LYS 9 10.662 12.505 -9.712 77 HZ3 LYS 9 2HZ LYS 9 10.186 11.724 -11.135 78 H LEU 10 H LEU 10 12.793 7.159 -8.130 79 HA LEU 10 HA LEU 10 14.142 9.340 -6.769 80 HB2 LEU 10 2HB LEU 10 12.546 7.105 -5.542 81 HB3 LEU 10 3HB LEU 10 12.957 8.657 -4.816 82 HG LEU 10 HG LEU 10 11.260 8.574 -7.277 83 HD11 LEU 10 1HD1 LEU 10 10.455 6.988 -5.359 84 HD12 LEU 10 2HD1 LEU 10 9.319 8.073 -6.160 85 HD13 LEU 10 3HD1 LEU 10 9.985 8.500 -4.584 86 HD21 LEU 10 3HD2 LEU 10 11.278 10.407 -4.883 87 HD22 LEU 10 1HD2 LEU 10 10.399 10.636 -6.395 88 HD23 LEU 10 2HD2 LEU 10 12.161 10.705 -6.381 89 H GLY 11 H GLY 11 13.997 5.806 -6.257 90 HA2 GLY 11 2HA GLY 11 16.290 4.725 -6.379 91 HA3 GLY 11 3HA GLY 11 16.757 5.962 -5.222 92 H LYS 12 H LYS 12 13.627 5.117 -4.569 93 HA LYS 12 HA LYS 12 14.454 3.030 -2.659 94 HB2 LYS 12 2HB LYS 12 12.364 4.149 -1.373 95 HB3 LYS 12 3HB LYS 12 14.035 4.631 -1.111 96 HG2 LYS 12 2HG LYS 12 12.781 6.616 -1.369 97 HG3 LYS 12 3HG LYS 12 13.693 6.396 -2.865 98 HD2 LYS 12 2HD LYS 12 11.666 6.843 -3.785 99 HD3 LYS 12 3HD LYS 12 11.453 5.107 -3.546 100 HE2 LYS 12 2HE LYS 12 10.618 7.189 -1.535 101 HE3 LYS 12 3HE LYS 12 9.541 6.536 -2.769 102 HZ1 LYS 12 3HZ LYS 12 9.159 5.290 -0.828 103 HZ2 LYS 12 1HZ LYS 12 10.811 5.091 -0.517 104 HZ3 LYS 12 2HZ LYS 12 10.093 4.288 -1.821 105 H GLU 13 H GLU 13 12.090 2.280 -1.619 106 HA GLU 13 HA GLU 13 10.813 0.991 -3.893 107 HB2 GLU 13 2HB GLU 13 11.000 0.478 -0.981 108 HB3 GLU 13 3HB GLU 13 9.513 -0.033 -1.768 109 HG2 GLU 13 2HG GLU 13 12.149 -0.784 -2.943 110 HG3 GLU 13 3HG GLU 13 11.508 -1.676 -1.565 111 H ALA 14 H ALA 14 9.128 1.920 -4.831 112 HA ALA 14 HA ALA 14 7.197 3.368 -3.140 113 HB1 ALA 14 1HB ALA 14 8.240 4.121 -5.860 114 HB2 ALA 14 2HB ALA 14 6.779 4.819 -5.161 115 HB3 ALA 14 3HB ALA 14 8.333 5.047 -4.361 116 H GLU 15 H GLU 15 5.083 3.724 -4.521 117 HA GLU 15 HA GLU 15 3.938 1.187 -4.913 118 HB2 GLU 15 2HB GLU 15 2.843 3.767 -6.026 119 HB3 GLU 15 3HB GLU 15 1.947 2.333 -5.545 120 HG2 GLU 15 2HG GLU 15 1.573 3.403 -3.636 121 HG3 GLU 15 3HG GLU 15 3.246 3.019 -3.236 122 H GLY 16 H GLY 16 3.246 0.119 -6.782 123 HA2 GLY 16 2HA GLY 16 4.769 0.859 -9.194 124 HA3 GLY 16 3HA GLY 16 4.232 -0.767 -8.797 125 H LEU 17 H LEU 17 3.809 0.656 -11.266 126 HA LEU 17 HA LEU 17 1.195 1.703 -11.434 127 HB2 LEU 17 2HB LEU 17 3.365 1.184 -13.191 128 HB3 LEU 17 3HB LEU 17 1.913 0.479 -13.897 129 HG LEU 17 HG LEU 17 0.819 2.734 -13.616 130 HD11 LEU 17 1HD1 LEU 17 3.429 3.285 -12.439 131 HD12 LEU 17 2HD1 LEU 17 1.906 4.161 -12.288 132 HD13 LEU 17 3HD1 LEU 17 2.954 4.450 -13.676 133 HD21 LEU 17 3HD2 LEU 17 1.295 2.996 -15.768 134 HD22 LEU 17 1HD2 LEU 17 2.523 1.741 -15.602 135 HD23 LEU 17 2HD2 LEU 17 2.963 3.437 -15.397 136 H ASP 18 H ASP 18 2.495 -1.541 -12.035 137 HA ASP 18 HA ASP 18 1.502 -3.586 -12.142 138 HB2 ASP 18 2HB ASP 18 0.579 -2.832 -9.933 139 HB3 ASP 18 3HB ASP 18 -0.855 -2.266 -10.786 140 H PHE 19 H PHE 19 1.242 -1.826 -14.363 141 HA PHE 19 HA PHE 19 -0.960 -3.129 -15.708 142 HB2 PHE 19 2HB PHE 19 -1.727 -0.869 -14.590 143 HB3 PHE 19 3HB PHE 19 -0.914 -0.150 -15.976 144 HD1 PHE 19 HD2 PHE 19 -3.186 -3.063 -15.421 145 HD2 PHE 19 HD1 PHE 19 -2.339 0.461 -17.654 146 HE1 PHE 19 HE2 PHE 19 -5.190 -3.454 -16.793 147 HE2 PHE 19 HE1 PHE 19 -4.342 0.075 -19.029 148 HZ PHE 19 HZ PHE 19 -5.770 -1.885 -18.601 149 HA PRO 20 HA PRO 20 2.701 -2.701 -18.400 150 HB2 PRO 20 2HB PRO 20 2.231 -5.011 -19.747 151 HB3 PRO 20 3HB PRO 20 3.063 -4.960 -18.188 152 HG2 PRO 20 2HG PRO 20 0.202 -5.608 -18.788 153 HG3 PRO 20 3HG PRO 20 1.320 -6.411 -17.670 154 HD2 PRO 20 2HD PRO 20 -0.553 -4.642 -16.837 155 HD3 PRO 20 3HD PRO 20 1.016 -4.823 -16.027 156 HA PRO 21 HA PRO 21 -0.045 -0.870 -21.482 157 HB2 PRO 21 2HB PRO 21 1.887 0.662 -22.618 158 HB3 PRO 21 3HB PRO 21 1.060 1.112 -21.123 159 HG2 PRO 21 2HG PRO 21 3.742 -0.164 -21.493 160 HG3 PRO 21 3HG PRO 21 3.267 1.140 -20.390 161 HD2 PRO 21 2HD PRO 21 3.541 -1.428 -19.577 162 HD3 PRO 21 3HD PRO 21 2.357 -0.320 -18.855 163 H LEU 22 H LEU 22 3.285 -1.887 -22.269 164 HA LEU 22 HA LEU 22 2.325 -2.840 -24.873 165 HB2 LEU 22 2HB LEU 22 4.418 -1.275 -24.392 166 HB3 LEU 22 3HB LEU 22 5.211 -2.834 -24.178 167 HG LEU 22 HG LEU 22 4.584 -3.466 -26.457 168 HD11 LEU 22 1HD1 LEU 22 3.863 -0.930 -27.516 169 HD12 LEU 22 2HD1 LEU 22 2.763 -1.315 -26.193 170 HD13 LEU 22 3HD1 LEU 22 2.949 -2.438 -27.540 171 HD21 LEU 22 3HD2 LEU 22 6.660 -2.028 -25.794 172 HD22 LEU 22 1HD2 LEU 22 5.833 -0.768 -26.710 173 HD23 LEU 22 2HD2 LEU 22 6.267 -2.287 -27.494 174 HA PRO 23 HA PRO 23 2.551 -7.023 -23.484 175 HB2 PRO 23 2HB PRO 23 2.570 -8.228 -25.916 176 HB3 PRO 23 3HB PRO 23 1.118 -7.506 -25.213 177 HG2 PRO 23 2HG PRO 23 2.994 -6.380 -27.256 178 HG3 PRO 23 3HG PRO 23 1.221 -6.335 -27.220 179 HD2 PRO 23 2HD PRO 23 2.747 -4.226 -26.473 180 HD3 PRO 23 3HD PRO 23 1.171 -4.573 -25.734 181 H GLY 24 H GLY 24 4.891 -5.599 -25.643 182 HA2 GLY 24 2HA GLY 24 6.684 -7.737 -25.907 183 HA3 GLY 24 3HA GLY 24 7.114 -6.036 -26.007 184 H GLU 25 H GLU 25 9.120 -7.003 -25.014 185 HA GLU 25 HA GLU 25 8.938 -7.680 -22.207 186 HB2 GLU 25 2HB GLU 25 11.419 -7.202 -23.863 187 HB3 GLU 25 3HB GLU 25 11.324 -8.026 -22.313 188 HG2 GLU 25 2HG GLU 25 10.006 -9.807 -23.336 189 HG3 GLU 25 3HG GLU 25 10.098 -8.981 -24.890 190 H LEU 26 H LEU 26 9.048 -4.845 -23.980 191 HA LEU 26 HA LEU 26 10.598 -3.307 -22.079 192 HB2 LEU 26 2HB LEU 26 10.221 -2.993 -24.696 193 HB3 LEU 26 3HB LEU 26 8.894 -1.988 -24.119 194 HG LEU 26 HG LEU 26 11.837 -1.610 -23.591 195 HD11 LEU 26 1HD1 LEU 26 11.590 -0.579 -25.581 196 HD12 LEU 26 2HD1 LEU 26 10.928 0.715 -24.584 197 HD13 LEU 26 3HD1 LEU 26 9.844 -0.410 -25.402 198 HD21 LEU 26 3HD2 LEU 26 11.142 0.413 -22.349 199 HD22 LEU 26 1HD2 LEU 26 10.646 -1.086 -21.562 200 HD23 LEU 26 2HD2 LEU 26 9.467 -0.129 -22.458 201 H GLY 27 H GLY 27 7.228 -3.195 -23.262 202 HA2 GLY 27 2HA GLY 27 6.231 -1.351 -21.454 203 HA3 GLY 27 3HA GLY 27 5.278 -2.634 -22.186 204 H LYS 28 H LYS 28 6.614 -4.843 -21.044 205 HA LYS 28 HA LYS 28 5.279 -4.991 -18.548 206 HB2 LYS 28 2HB LYS 28 6.296 -7.205 -18.352 207 HB3 LYS 28 3HB LYS 28 5.641 -6.960 -19.966 208 HG2 LYS 28 2HG LYS 28 7.779 -6.702 -20.909 209 HG3 LYS 28 3HG LYS 28 8.539 -6.503 -19.328 210 HD2 LYS 28 2HD LYS 28 7.100 -9.036 -20.039 211 HD3 LYS 28 3HD LYS 28 8.771 -8.771 -20.543 212 HE2 LYS 28 2HE LYS 28 9.176 -8.187 -18.056 213 HE3 LYS 28 3HE LYS 28 7.644 -9.014 -17.777 214 HZ1 LYS 28 3HZ LYS 28 9.759 -10.332 -19.345 215 HZ2 LYS 28 1HZ LYS 28 8.508 -11.026 -18.442 216 HZ3 LYS 28 2HZ LYS 28 9.838 -10.338 -17.655 217 H ARG 29 H ARG 29 8.443 -3.987 -19.479 218 HA ARG 29 HA ARG 29 9.511 -4.249 -16.783 219 HB2 ARG 29 2HB ARG 29 10.685 -3.370 -19.412 220 HB3 ARG 29 3HB ARG 29 11.547 -3.147 -17.895 221 HG2 ARG 29 2HG ARG 29 11.512 -5.543 -17.498 222 HG3 ARG 29 3HG ARG 29 10.595 -5.787 -18.986 223 HD2 ARG 29 2HD ARG 29 12.407 -5.504 -20.305 224 HD3 ARG 29 3HD ARG 29 13.103 -4.266 -19.261 225 HE ARG 29 HE ARG 29 13.393 -6.539 -17.818 226 HH11 ARG 29 1HH1 ARG 29 14.249 -5.628 -21.068 227 HH12 ARG 29 2HH1 ARG 29 15.632 -6.671 -21.135 228 HH21 ARG 29 1HH2 ARG 29 15.211 -7.916 -17.895 229 HH22 ARG 29 2HH2 ARG 29 16.177 -7.972 -19.330 230 H LEU 30 H LEU 30 7.951 -1.922 -18.750 231 HA LEU 30 HA LEU 30 9.005 0.426 -17.526 232 HB2 LEU 30 2HB LEU 30 6.728 -0.209 -19.331 233 HB3 LEU 30 3HB LEU 30 6.715 1.336 -18.483 234 HG LEU 30 HG LEU 30 8.873 0.379 -20.364 235 HD11 LEU 30 1HD1 LEU 30 8.021 2.218 -21.801 236 HD12 LEU 30 2HD1 LEU 30 6.654 2.388 -20.701 237 HD13 LEU 30 3HD1 LEU 30 6.883 0.887 -21.597 238 HD21 LEU 30 3HD2 LEU 30 9.638 2.751 -20.180 239 HD22 LEU 30 1HD2 LEU 30 9.844 1.799 -18.710 240 HD23 LEU 30 2HD2 LEU 30 8.514 2.950 -18.835 241 H TYR 31 H TYR 31 6.025 -1.450 -17.075 242 HA TYR 31 HA TYR 31 5.083 0.217 -14.943 243 HB2 TYR 31 2HB TYR 31 3.187 -1.090 -14.950 244 HB3 TYR 31 3HB TYR 31 3.770 -1.380 -16.585 245 HD1 TYR 31 HD1 TYR 31 3.316 -2.826 -13.251 246 HD2 TYR 31 HD2 TYR 31 4.712 -3.531 -17.208 247 HE1 TYR 31 HE1 TYR 31 3.357 -5.243 -12.799 248 HE2 TYR 31 HE2 TYR 31 4.755 -5.950 -16.768 249 HH TYR 31 HH TYR 31 3.553 -7.552 -15.165 250 H GLU 32 H GLU 32 7.251 -2.421 -15.190 251 HA GLU 32 HA GLU 32 6.997 -3.156 -12.384 252 HB2 GLU 32 2HB GLU 32 8.103 -5.074 -12.900 253 HB3 GLU 32 3HB GLU 32 7.549 -4.675 -14.520 254 HG2 GLU 32 2HG GLU 32 9.724 -3.560 -14.933 255 HG3 GLU 32 3HG GLU 32 10.267 -4.126 -13.355 256 H SER 33 H SER 33 8.428 -0.709 -13.987 257 HA SER 33 HA SER 33 10.633 -0.545 -12.039 258 HB2 SER 33 2HB SER 33 11.277 -0.929 -14.510 259 HB3 SER 33 3HB SER 33 10.761 0.739 -14.761 260 HG SER 33 HG SER 33 12.878 -0.242 -13.176 261 H VAL 34 H VAL 34 8.282 1.221 -13.993 262 HA VAL 34 HA VAL 34 8.823 3.774 -12.863 263 HB VAL 34 HB VAL 34 7.641 3.335 -15.060 264 HG11 VAL 34 1HG1 VAL 34 5.007 3.336 -13.835 265 HG12 VAL 34 2HG1 VAL 34 5.642 2.347 -15.151 266 HG13 VAL 34 3HG1 VAL 34 5.917 1.869 -13.476 267 HG21 VAL 34 3HG2 VAL 34 6.497 5.374 -14.984 268 HG22 VAL 34 1HG2 VAL 34 6.052 5.164 -13.290 269 HG23 VAL 34 2HG2 VAL 34 7.723 5.524 -13.725 270 H SER 35 H SER 35 7.389 5.012 -11.493 271 HA SER 35 HA SER 35 5.788 3.356 -9.658 272 HB2 SER 35 2HB SER 35 7.983 3.947 -8.644 273 HB3 SER 35 3HB SER 35 7.584 5.653 -8.838 274 HG SER 35 HG SER 35 6.418 5.532 -7.103 275 H LYS 36 H LYS 36 4.609 5.072 -8.079 276 HA LYS 36 HA LYS 36 2.826 6.506 -9.825 277 HB2 LYS 36 2HB LYS 36 2.284 5.189 -7.636 278 HB3 LYS 36 3HB LYS 36 2.735 6.687 -6.833 279 HG2 LYS 36 2HG LYS 36 0.373 6.681 -7.099 280 HG3 LYS 36 3HG LYS 36 1.038 7.864 -8.227 281 HD2 LYS 36 2HD LYS 36 0.625 6.515 -10.077 282 HD3 LYS 36 3HD LYS 36 0.520 5.046 -9.104 283 HE2 LYS 36 2HE LYS 36 -1.468 7.290 -8.870 284 HE3 LYS 36 3HE LYS 36 -1.660 5.975 -10.028 285 HZ1 LYS 36 3HZ LYS 36 -1.581 4.409 -8.162 286 HZ2 LYS 36 1HZ LYS 36 -2.871 5.495 -8.020 287 HZ3 LYS 36 2HZ LYS 36 -1.483 5.702 -7.076 288 H GLN 37 H GLN 37 5.611 7.257 -7.982 289 HA GLN 37 HA GLN 37 5.000 10.083 -7.762 290 HB2 GLN 37 2HB GLN 37 6.233 9.009 -5.954 291 HB3 GLN 37 3HB GLN 37 7.498 8.525 -7.076 292 HG2 GLN 37 2HG GLN 37 8.143 10.460 -5.731 293 HG3 GLN 37 3HG GLN 37 8.098 10.833 -7.453 294 HE21 GLN 37 1HE2 GLN 37 7.205 11.860 -4.437 295 HE22 GLN 37 2HE2 GLN 37 5.986 13.001 -4.880 296 H ALA 38 H ALA 38 7.311 8.026 -9.505 297 HA ALA 38 HA ALA 38 8.453 10.200 -10.969 298 HB1 ALA 38 1HB ALA 38 8.599 7.266 -11.637 299 HB2 ALA 38 2HB ALA 38 9.705 8.541 -12.149 300 HB3 ALA 38 3HB ALA 38 9.635 8.062 -10.453 301 H TRP 39 H TRP 39 5.641 8.278 -11.323 302 HA TRP 39 HA TRP 39 5.252 8.139 -14.049 303 HB2 TRP 39 2HB TRP 39 3.693 7.071 -12.582 304 HB3 TRP 39 3HB TRP 39 3.262 8.602 -11.824 305 HD1 TRP 39 HD1 TRP 39 0.890 9.232 -12.518 306 HE1 TRP 39 HE1 TRP 39 -0.488 9.152 -14.690 307 HE3 TRP 39 HE3 TRP 39 4.331 7.016 -15.581 308 HZ2 TRP 39 HZ2 TRP 39 -0.160 8.267 -17.350 309 HZ3 TRP 39 HZ3 TRP 39 3.720 6.587 -17.926 310 HH2 TRP 39 HH2 TRP 39 1.520 7.200 -18.790 311 H GLN 40 H GLN 40 4.940 10.900 -11.918 312 HA GLN 40 HA GLN 40 3.565 12.599 -13.714 313 HB2 GLN 40 2HB GLN 40 5.429 13.343 -11.454 314 HB3 GLN 40 3HB GLN 40 4.280 14.419 -12.238 315 HG2 GLN 40 2HG GLN 40 2.607 12.474 -11.488 316 HG3 GLN 40 3HG GLN 40 3.837 12.297 -10.237 317 HE21 GLN 40 1HE2 GLN 40 1.494 14.455 -11.669 318 HE22 GLN 40 2HE2 GLN 40 1.392 15.546 -10.333 319 H ASP 41 H ASP 41 7.020 12.345 -12.889 320 HA ASP 41 HA ASP 41 7.840 14.244 -14.846 321 HB2 ASP 41 2HB ASP 41 9.126 13.619 -12.766 322 HB3 ASP 41 3HB ASP 41 9.548 12.107 -13.565 323 H TRP 42 H TRP 42 7.021 10.924 -14.962 324 HA TRP 42 HA TRP 42 8.539 10.360 -17.361 325 HB2 TRP 42 2HB TRP 42 6.602 8.789 -15.681 326 HB3 TRP 42 3HB TRP 42 7.115 8.202 -17.261 327 HD1 TRP 42 HD1 TRP 42 9.438 9.925 -14.706 328 HE1 TRP 42 HE1 TRP 42 11.287 8.258 -14.052 329 HE3 TRP 42 HE3 TRP 42 7.735 5.802 -17.203 330 HZ2 TRP 42 HZ2 TRP 42 11.938 5.554 -14.531 331 HZ3 TRP 42 HZ3 TRP 42 9.030 3.715 -17.054 332 HH2 TRP 42 HH2 TRP 42 11.088 3.595 -15.746 333 H LEU 43 H LEU 43 5.183 11.000 -16.471 334 HA LEU 43 HA LEU 43 4.203 10.634 -19.148 335 HB2 LEU 43 2HB LEU 43 2.092 11.086 -18.300 336 HB3 LEU 43 3HB LEU 43 2.926 10.320 -16.949 337 HG LEU 43 HG LEU 43 3.408 12.866 -16.324 338 HD11 LEU 43 1HD1 LEU 43 1.048 13.949 -16.771 339 HD12 LEU 43 2HD1 LEU 43 1.099 12.911 -18.196 340 HD13 LEU 43 3HD1 LEU 43 2.367 14.108 -17.931 341 HD21 LEU 43 3HD2 LEU 43 2.138 10.967 -15.112 342 HD22 LEU 43 1HD2 LEU 43 0.689 11.769 -15.718 343 HD23 LEU 43 2HD2 LEU 43 1.804 12.640 -14.665 344 H LYS 44 H LYS 44 5.641 13.188 -17.383 345 HA LYS 44 HA LYS 44 4.491 15.428 -18.618 346 HB2 LYS 44 2HB LYS 44 6.223 15.158 -16.620 347 HB3 LYS 44 3HB LYS 44 7.385 15.466 -17.903 348 HG2 LYS 44 2HG LYS 44 5.047 17.266 -17.330 349 HG3 LYS 44 3HG LYS 44 6.643 17.478 -16.607 350 HD2 LYS 44 2HD LYS 44 7.523 17.464 -19.015 351 HD3 LYS 44 3HD LYS 44 5.841 17.704 -19.493 352 HE2 LYS 44 2HE LYS 44 6.707 19.868 -19.375 353 HE3 LYS 44 3HE LYS 44 5.858 19.667 -17.843 354 HZ1 LYS 44 3HZ LYS 44 7.958 20.655 -17.401 355 HZ2 LYS 44 1HZ LYS 44 8.783 19.489 -18.308 356 HZ3 LYS 44 2HZ LYS 44 8.038 19.057 -16.852 357 H GLN 45 H GLN 45 7.617 13.874 -19.365 358 HA GLN 45 HA GLN 45 8.023 15.316 -21.759 359 HB2 GLN 45 2HB GLN 45 9.899 13.929 -22.117 360 HB3 GLN 45 3HB GLN 45 9.764 14.084 -20.370 361 HG2 GLN 45 2HG GLN 45 10.068 11.857 -20.455 362 HG3 GLN 45 3HG GLN 45 8.323 11.864 -20.707 363 HE21 GLN 45 1HE2 GLN 45 10.067 9.806 -21.516 364 HE22 GLN 45 2HE2 GLN 45 10.029 9.720 -23.241 365 H GLN 46 H GLN 46 6.362 12.333 -21.027 366 HA GLN 46 HA GLN 46 6.219 11.133 -23.509 367 HB2 GLN 46 2HB GLN 46 4.842 10.927 -21.011 368 HB3 GLN 46 3HB GLN 46 3.659 10.878 -22.311 369 HG2 GLN 46 2HG GLN 46 6.056 9.195 -22.658 370 HG3 GLN 46 3HG GLN 46 4.933 8.717 -21.386 371 HE21 GLN 46 1HE2 GLN 46 4.964 6.850 -23.023 372 HE22 GLN 46 2HE2 GLN 46 3.715 6.884 -24.216 373 H THR 47 H THR 47 4.391 13.860 -22.255 374 HA THR 47 HA THR 47 2.739 13.997 -24.644 375 HB THR 47 HB THR 47 2.834 15.784 -22.206 376 HG1 THR 47 HG1 THR 47 0.826 14.720 -21.767 377 HG21 THR 47 3HG2 THR 47 1.792 17.270 -23.526 378 HG22 THR 47 1HG2 THR 47 0.408 16.183 -23.429 379 HG23 THR 47 2HG2 THR 47 1.515 16.081 -24.798 380 H MET 48 H MET 48 5.573 15.490 -23.300 381 HA MET 48 HA MET 48 5.582 17.861 -24.828 382 HB2 MET 48 2HB MET 48 7.823 16.282 -23.563 383 HB3 MET 48 3HB MET 48 8.062 17.838 -24.348 384 HG2 MET 48 2HG MET 48 6.075 17.509 -22.135 385 HG3 MET 48 3HG MET 48 7.785 17.772 -21.802 386 HE1 MET 48 3HE MET 48 8.985 19.948 -21.928 387 HE2 MET 48 1HE MET 48 8.938 19.835 -23.688 388 HE3 MET 48 2HE MET 48 8.484 21.340 -22.889 389 H LEU 49 H LEU 49 6.802 14.615 -25.452 390 HA LEU 49 HA LEU 49 8.173 15.279 -27.855 391 HB2 LEU 49 2HB LEU 49 7.332 12.771 -26.495 392 HB3 LEU 49 3HB LEU 49 7.779 12.687 -28.198 393 HG LEU 49 HG LEU 49 9.587 12.134 -26.509 394 HD11 LEU 49 1HD1 LEU 49 11.018 12.576 -28.152 395 HD12 LEU 49 2HD1 LEU 49 10.783 14.316 -27.989 396 HD13 LEU 49 3HD1 LEU 49 9.681 13.367 -28.987 397 HD21 LEU 49 3HD2 LEU 49 9.962 15.079 -26.210 398 HD22 LEU 49 1HD2 LEU 49 10.559 13.759 -25.204 399 HD23 LEU 49 2HD2 LEU 49 8.861 14.229 -25.123 400 H ILE 50 H ILE 50 4.940 14.058 -27.125 401 HA ILE 50 HA ILE 50 4.158 13.619 -29.813 402 HB ILE 50 HB ILE 50 2.502 14.105 -27.337 403 HG12 ILE 50 2HG1 ILE 50 2.676 11.500 -28.785 404 HG13 ILE 50 3HG1 ILE 50 4.035 11.986 -27.778 405 HG21 ILE 50 1HG2 ILE 50 0.626 13.161 -28.672 406 HG22 ILE 50 2HG2 ILE 50 1.173 14.742 -29.225 407 HG23 ILE 50 3HG2 ILE 50 1.643 13.289 -30.107 408 HD11 ILE 50 3HD1 ILE 50 1.405 10.995 -27.027 409 HD12 ILE 50 1HD1 ILE 50 2.922 10.993 -26.128 410 HD13 ILE 50 2HD1 ILE 50 1.901 12.432 -26.133 411 H ASN 51 H ASN 51 4.150 16.424 -27.729 412 HA ASN 51 HA ASN 51 2.550 17.984 -29.583 413 HB2 ASN 51 2HB ASN 51 3.766 18.503 -26.888 414 HB3 ASN 51 3HB ASN 51 3.207 19.847 -27.879 415 HD21 ASN 51 1HD2 ASN 51 2.023 16.603 -27.043 416 HD22 ASN 51 2HD2 ASN 51 0.430 17.114 -26.611 417 H GLU 52 H GLU 52 5.884 17.436 -28.804 418 HA GLU 52 HA GLU 52 6.820 19.785 -30.213 419 HB2 GLU 52 2HB GLU 52 7.986 18.834 -28.205 420 HB3 GLU 52 3HB GLU 52 8.430 17.444 -29.186 421 HG2 GLU 52 2HG GLU 52 9.509 19.131 -30.769 422 HG3 GLU 52 3HG GLU 52 9.341 20.285 -29.448 423 H ASN 53 H ASN 53 6.212 16.441 -30.875 424 HA ASN 53 HA ASN 53 7.504 16.705 -33.507 425 HB2 ASN 53 2HB ASN 53 6.805 14.256 -31.880 426 HB3 ASN 53 3HB ASN 53 7.348 14.185 -33.554 427 HD21 ASN 53 1HD2 ASN 53 8.246 15.054 -30.289 428 HD22 ASN 53 2HD2 ASN 53 9.954 14.995 -30.538 429 H ARG 54 H ARG 54 4.511 16.513 -31.909 430 HA ARG 54 HA ARG 54 2.357 16.486 -32.639 431 HB2 ARG 54 2HB ARG 54 3.385 18.131 -34.306 432 HB3 ARG 54 3HB ARG 54 3.417 16.789 -35.443 433 HG2 ARG 54 2HG ARG 54 1.453 17.961 -35.931 434 HG3 ARG 54 3HG ARG 54 0.927 16.555 -35.003 435 HD2 ARG 54 2HD ARG 54 -0.258 18.431 -34.155 436 HD3 ARG 54 3HD ARG 54 0.968 18.011 -32.960 437 HE ARG 54 HE ARG 54 2.158 19.908 -34.518 438 HH11 ARG 54 1HH1 ARG 54 -0.785 19.738 -32.666 439 HH12 ARG 54 2HH1 ARG 54 -0.811 21.433 -32.308 440 HH21 ARG 54 1HH2 ARG 54 2.134 22.141 -34.054 441 HH22 ARG 54 2HH2 ARG 54 0.849 22.799 -33.099 442 H LEU 55 H LEU 55 3.487 14.032 -32.204 443 HA LEU 55 HA LEU 55 3.129 12.260 -34.418 444 HB2 LEU 55 2HB LEU 55 3.200 11.556 -31.492 445 HB3 LEU 55 3HB LEU 55 3.533 10.490 -32.855 446 HG LEU 55 HG LEU 55 5.239 12.843 -32.041 447 HD11 LEU 55 1HD1 LEU 55 5.291 11.059 -30.371 448 HD12 LEU 55 2HD1 LEU 55 6.822 11.177 -31.238 449 HD13 LEU 55 3HD1 LEU 55 5.684 9.889 -31.631 450 HD21 LEU 55 3HD2 LEU 55 5.395 10.810 -34.231 451 HD22 LEU 55 1HD2 LEU 55 6.865 11.521 -33.564 452 HD23 LEU 55 2HD2 LEU 55 5.642 12.556 -34.302 453 H ASN 56 H ASN 56 1.634 10.296 -34.118 454 HA ASN 56 HA ASN 56 -1.044 11.322 -33.479 455 HB2 ASN 56 2HB ASN 56 -0.145 10.154 -35.782 456 HB3 ASN 56 3HB ASN 56 -0.846 8.774 -34.941 457 HD21 ASN 56 1HD2 ASN 56 -3.039 9.396 -33.867 458 HD22 ASN 56 2HD2 ASN 56 -4.149 10.199 -34.919 459 H MET 57 H MET 57 -1.198 10.886 -31.304 460 HA MET 57 HA MET 57 -0.349 8.574 -29.999 461 HB2 MET 57 2HB MET 57 -2.717 10.311 -29.282 462 HB3 MET 57 3HB MET 57 -1.866 9.219 -28.198 463 HG2 MET 57 2HG MET 57 0.188 10.585 -28.554 464 HG3 MET 57 3HG MET 57 -0.800 11.731 -29.457 465 HE1 MET 57 3HE MET 57 -1.770 13.515 -28.704 466 HE2 MET 57 1HE MET 57 -3.217 12.962 -27.860 467 HE3 MET 57 2HE MET 57 -2.083 14.043 -27.050 468 H ALA 58 H ALA 58 -3.120 9.146 -31.992 469 HA ALA 58 HA ALA 58 -4.916 7.232 -31.149 470 HB1 ALA 58 1HB ALA 58 -4.985 8.950 -33.129 471 HB2 ALA 58 2HB ALA 58 -4.458 7.558 -34.075 472 HB3 ALA 58 3HB ALA 58 -5.970 7.488 -33.170 473 H ASP 59 H ASP 59 -1.890 6.809 -32.829 474 HA ASP 59 HA ASP 59 -2.374 3.903 -32.908 475 HB2 ASP 59 2HB ASP 59 -0.379 4.074 -34.631 476 HB3 ASP 59 3HB ASP 59 -2.039 4.378 -35.137 477 HA PRO 60 HA PRO 60 1.001 3.205 -30.197 478 HB2 PRO 60 2HB PRO 60 2.135 0.971 -31.243 479 HB3 PRO 60 3HB PRO 60 0.579 0.956 -30.406 480 HG2 PRO 60 2HG PRO 60 1.148 0.988 -33.344 481 HG3 PRO 60 3HG PRO 60 -0.051 0.038 -32.447 482 HD2 PRO 60 2HD PRO 60 -0.698 2.286 -33.812 483 HD3 PRO 60 3HD PRO 60 -1.538 1.795 -32.327 484 H ARG 61 H ARG 61 1.544 3.952 -33.469 485 HA ARG 61 HA ARG 61 4.304 3.685 -33.738 486 HB2 ARG 61 2HB ARG 61 2.615 5.909 -34.892 487 HB3 ARG 61 3HB ARG 61 4.151 5.320 -35.513 488 HG2 ARG 61 2HG ARG 61 1.555 3.797 -35.432 489 HG3 ARG 61 3HG ARG 61 2.324 4.494 -36.859 490 HD2 ARG 61 2HD ARG 61 4.231 3.007 -36.575 491 HD3 ARG 61 3HD ARG 61 3.506 2.336 -35.114 492 HE ARG 61 HE ARG 61 1.748 2.069 -37.319 493 HH11 ARG 61 1HH1 ARG 61 4.657 0.743 -35.942 494 HH12 ARG 61 2HH1 ARG 61 4.431 -0.825 -36.646 495 HH21 ARG 61 1HH2 ARG 61 1.439 0.010 -38.251 496 HH22 ARG 61 2HH2 ARG 61 2.600 -1.240 -37.959 497 H ALA 62 H ALA 62 2.395 6.152 -32.138 498 HA ALA 62 HA ALA 62 4.628 7.923 -31.724 499 HB1 ALA 62 1HB ALA 62 3.023 9.161 -30.266 500 HB2 ALA 62 2HB ALA 62 2.464 8.915 -31.921 501 HB3 ALA 62 3HB ALA 62 1.826 7.913 -30.618 502 H ARG 63 H ARG 63 3.049 5.349 -29.972 503 HA ARG 63 HA ARG 63 4.327 5.947 -27.464 504 HB2 ARG 63 2HB ARG 63 2.693 3.620 -28.461 505 HB3 ARG 63 3HB ARG 63 3.439 3.624 -26.869 506 HG2 ARG 63 2HG ARG 63 1.676 4.695 -26.077 507 HG3 ARG 63 3HG ARG 63 2.063 6.066 -27.119 508 HD2 ARG 63 2HD ARG 63 0.609 5.363 -28.793 509 HD3 ARG 63 3HD ARG 63 0.576 3.703 -28.199 510 HE ARG 63 HE ARG 63 -1.180 4.283 -26.870 511 HH11 ARG 63 1HH1 ARG 63 0.566 7.173 -27.716 512 HH12 ARG 63 2HH1 ARG 63 -0.566 8.238 -26.951 513 HH21 ARG 63 1HH2 ARG 63 -2.678 5.674 -25.859 514 HH22 ARG 63 2HH2 ARG 63 -2.411 7.384 -25.894 515 H GLN 64 H GLN 64 5.051 4.072 -30.284 516 HA GLN 64 HA GLN 64 7.027 2.406 -29.043 517 HB2 GLN 64 2HB GLN 64 5.779 1.769 -31.106 518 HB3 GLN 64 3HB GLN 64 6.650 3.024 -31.977 519 HG2 GLN 64 2HG GLN 64 8.737 1.903 -31.630 520 HG3 GLN 64 3HG GLN 64 7.973 0.717 -30.573 521 HE21 GLN 64 1HE2 GLN 64 8.663 -0.992 -31.860 522 HE22 GLN 64 2HE2 GLN 64 7.942 -1.337 -33.391 523 H TYR 65 H TYR 65 6.974 5.550 -30.503 524 HA TYR 65 HA TYR 65 9.817 5.712 -30.906 525 HB2 TYR 65 2HB TYR 65 8.452 7.028 -32.361 526 HB3 TYR 65 3HB TYR 65 7.606 7.766 -31.005 527 HD1 TYR 65 HD1 TYR 65 10.850 7.622 -32.779 528 HD2 TYR 65 HD2 TYR 65 8.461 9.702 -29.939 529 HE1 TYR 65 HE1 TYR 65 12.457 9.485 -32.801 530 HE2 TYR 65 HE2 TYR 65 10.060 11.571 -29.954 531 HH TYR 65 HH TYR 65 12.514 11.888 -30.488 532 H LEU 66 H LEU 66 7.505 6.849 -28.490 533 HA LEU 66 HA LEU 66 9.368 8.363 -26.979 534 HB2 LEU 66 2HB LEU 66 6.604 7.382 -26.627 535 HB3 LEU 66 3HB LEU 66 7.497 7.746 -25.152 536 HG LEU 66 HG LEU 66 7.322 9.769 -27.354 537 HD11 LEU 66 1HD1 LEU 66 5.235 10.473 -26.801 538 HD12 LEU 66 2HD1 LEU 66 5.344 9.867 -25.148 539 HD13 LEU 66 3HD1 LEU 66 5.033 8.750 -26.478 540 HD21 LEU 66 3HD2 LEU 66 8.829 10.457 -25.733 541 HD22 LEU 66 1HD2 LEU 66 7.889 9.758 -24.415 542 HD23 LEU 66 2HD2 LEU 66 7.329 11.227 -25.215 543 H MET 67 H MET 67 8.540 4.993 -27.093 544 HA MET 67 HA MET 67 9.408 4.143 -24.587 545 HB2 MET 67 2HB MET 67 9.363 2.794 -27.277 546 HB3 MET 67 3HB MET 67 9.943 1.963 -25.840 547 HG2 MET 67 2HG MET 67 7.322 3.273 -25.585 548 HG3 MET 67 3HG MET 67 7.396 1.906 -26.694 549 HE1 MET 67 3HE MET 67 5.675 1.897 -23.531 550 HE2 MET 67 1HE MET 67 5.503 1.245 -25.161 551 HE3 MET 67 2HE MET 67 5.752 0.155 -23.797 552 H LYS 68 H LYS 68 11.203 5.259 -27.312 553 HA LYS 68 HA LYS 68 13.698 4.052 -26.617 554 HB2 LYS 68 2HB LYS 68 13.139 6.463 -28.355 555 HB3 LYS 68 3HB LYS 68 14.658 5.579 -28.283 556 HG2 LYS 68 2HG LYS 68 12.193 4.066 -28.956 557 HG3 LYS 68 3HG LYS 68 12.878 5.141 -30.178 558 HD2 LYS 68 2HD LYS 68 14.083 3.292 -30.691 559 HD3 LYS 68 3HD LYS 68 15.114 3.887 -29.388 560 HE2 LYS 68 2HE LYS 68 13.455 2.461 -27.907 561 HE3 LYS 68 3HE LYS 68 13.213 1.596 -29.424 562 HZ1 LYS 68 3HZ LYS 68 15.916 2.116 -28.342 563 HZ2 LYS 68 1HZ LYS 68 15.451 0.983 -29.510 564 HZ3 LYS 68 2HZ LYS 68 15.023 0.752 -27.890 565 H GLN 69 H GLN 69 11.953 6.780 -25.501 566 HA GLN 69 HA GLN 69 14.307 8.097 -24.410 567 HB2 GLN 69 2HB GLN 69 11.489 8.812 -24.858 568 HB3 GLN 69 3HB GLN 69 12.169 9.439 -23.363 569 HG2 GLN 69 2HG GLN 69 13.460 10.925 -24.424 570 HG3 GLN 69 3HG GLN 69 13.879 9.796 -25.711 571 HE21 GLN 69 1HE2 GLN 69 11.590 9.181 -26.886 572 HE22 GLN 69 2HE2 GLN 69 10.805 10.581 -27.525 573 H THR 70 H THR 70 11.785 5.946 -23.424 574 HA THR 70 HA THR 70 12.296 6.367 -20.590 575 HB THR 70 HB THR 70 10.598 4.102 -21.490 576 HG1 THR 70 HG1 THR 70 9.107 5.333 -22.405 577 HG21 THR 70 3HG2 THR 70 9.201 4.854 -19.639 578 HG22 THR 70 1HG2 THR 70 10.215 6.281 -19.432 579 HG23 THR 70 2HG2 THR 70 10.875 4.677 -19.113 580 H GLU 71 H GLU 71 12.891 3.971 -23.098 581 HA GLU 71 HA GLU 71 13.931 1.985 -21.329 582 HB2 GLU 71 2HB GLU 71 12.977 1.555 -23.624 583 HB3 GLU 71 3HB GLU 71 14.449 2.245 -24.292 584 HG2 GLU 71 2HG GLU 71 15.663 0.481 -22.863 585 HG3 GLU 71 3HG GLU 71 14.087 -0.303 -22.770 586 H LYS 72 H LYS 72 15.510 4.098 -23.731 587 HA LYS 72 HA LYS 72 18.142 3.470 -23.039 588 HB2 LYS 72 2HB LYS 72 16.978 5.009 -24.955 589 HB3 LYS 72 3HB LYS 72 17.654 6.248 -23.906 590 HG2 LYS 72 2HG LYS 72 19.366 3.964 -24.767 591 HG3 LYS 72 3HG LYS 72 19.048 5.292 -25.885 592 HD2 LYS 72 2HD LYS 72 20.513 6.601 -24.837 593 HD3 LYS 72 3HD LYS 72 19.735 6.308 -23.280 594 HE2 LYS 72 2HE LYS 72 21.778 5.411 -22.832 595 HE3 LYS 72 3HE LYS 72 20.998 3.987 -23.518 596 HZ1 LYS 72 3HZ LYS 72 22.593 3.932 -25.032 597 HZ2 LYS 72 1HZ LYS 72 23.275 5.363 -24.443 598 HZ3 LYS 72 2HZ LYS 72 22.077 5.425 -25.635 599 H TYR 73 H TYR 73 15.809 5.302 -21.361 600 HA TYR 73 HA TYR 73 17.512 7.089 -19.971 601 HB2 TYR 73 2HB TYR 73 15.175 7.581 -20.030 602 HB3 TYR 73 3HB TYR 73 14.761 6.009 -19.355 603 HD1 TYR 73 HD2 TYR 73 16.542 9.174 -18.529 604 HD2 TYR 73 HD1 TYR 73 14.451 5.773 -17.057 605 HE1 TYR 73 HE2 TYR 73 16.562 10.146 -16.270 606 HE2 TYR 73 HE1 TYR 73 14.464 6.737 -14.794 607 HH TYR 73 HH TYR 73 14.621 9.215 -13.851 608 H PHE 74 H PHE 74 15.719 4.378 -18.521 609 HA PHE 74 HA PHE 74 17.866 4.055 -16.572 610 HB2 PHE 74 2HB PHE 74 15.483 4.196 -15.830 611 HB3 PHE 74 3HB PHE 74 15.175 2.680 -16.670 612 HD1 PHE 74 HD2 PHE 74 17.262 4.187 -13.994 613 HD2 PHE 74 HD1 PHE 74 15.515 0.651 -15.595 614 HE1 PHE 74 HE2 PHE 74 17.953 2.941 -11.988 615 HE2 PHE 74 HE1 PHE 74 16.203 -0.600 -13.591 616 HZ PHE 74 HZ PHE 74 17.424 0.545 -11.784 617 H PHE 75 H PHE 75 15.992 2.067 -18.848 618 HA PHE 75 HA PHE 75 17.537 -0.280 -18.452 619 HB2 PHE 75 2HB PHE 75 15.882 0.419 -20.882 620 HB3 PHE 75 3HB PHE 75 16.337 -1.190 -20.331 621 HD1 PHE 75 HD2 PHE 75 15.796 -0.648 -17.363 622 HD2 PHE 75 HD1 PHE 75 13.534 0.078 -20.895 623 HE1 PHE 75 HE2 PHE 75 13.717 -0.787 -16.056 624 HE2 PHE 75 HE1 PHE 75 11.451 -0.059 -19.593 625 HZ PHE 75 HZ PHE 75 11.540 -0.493 -17.170 626 H GLY 76 H GLY 76 18.309 2.606 -19.918 627 HA2 GLY 76 2HA GLY 76 20.269 1.298 -21.702 628 HA3 GLY 76 3HA GLY 76 19.582 2.889 -21.998 629 H GLU 77 H GLU 77 20.600 4.645 -21.215 630 HA GLU 77 HA GLU 77 23.231 4.584 -20.421 631 HB2 GLU 77 2HB GLU 77 23.017 6.895 -19.846 632 HB3 GLU 77 3HB GLU 77 21.955 6.592 -21.214 633 HG2 GLU 77 2HG GLU 77 20.029 6.552 -19.775 634 HG3 GLU 77 3HG GLU 77 21.051 6.695 -18.346 635 H GLY 78 H GLY 78 20.346 4.342 -18.444 636 HA2 GLY 78 2HA GLY 78 20.607 3.018 -16.383 637 HA3 GLY 78 3HA GLY 78 22.089 3.916 -16.095 638 H ALA 79 H ALA 79 21.431 6.485 -16.454 639 HA ALA 79 HA ALA 79 18.955 7.268 -15.319 640 HB1 ALA 79 1HB ALA 79 19.374 6.870 -13.167 641 HB2 ALA 79 2HB ALA 79 21.086 6.572 -13.471 642 HB3 ALA 79 3HB ALA 79 20.504 8.222 -13.250 643 H ASP 80 H ASP 80 19.081 9.644 -14.575 644 HA ASP 80 HA ASP 80 21.045 11.075 -16.243 645 HB2 ASP 80 2HB ASP 80 18.098 11.622 -15.880 646 HB3 ASP 80 3HB ASP 80 19.214 12.806 -16.555 647 H GLN 81 H GLN 81 21.000 10.395 -13.342 648 HA GLN 81 HA GLN 81 21.688 13.032 -12.378 649 HB2 GLN 81 2HB GLN 81 19.387 11.459 -11.244 650 HB3 GLN 81 3HB GLN 81 20.268 12.631 -10.273 651 HG2 GLN 81 2HG GLN 81 19.728 14.360 -11.966 652 HG3 GLN 81 3HG GLN 81 18.735 13.169 -12.804 653 HE21 GLN 81 1HE2 GLN 81 17.555 15.439 -12.032 654 HE22 GLN 81 2HE2 GLN 81 16.506 15.168 -10.687 655 H ALA 82 H ALA 82 22.857 12.980 -10.360 656 HA ALA 82 HA ALA 82 24.062 10.341 -9.846 657 HB1 ALA 82 1HB ALA 82 26.115 11.292 -9.630 658 HB2 ALA 82 2HB ALA 82 25.394 12.460 -10.738 659 HB3 ALA 82 3HB ALA 82 25.470 12.813 -9.012 660 H SER 83 H SER 83 21.632 11.354 -8.601 661 HA SER 83 HA SER 83 22.177 10.680 -5.921 662 HB2 SER 83 2HB SER 83 23.120 13.048 -6.047 663 HB3 SER 83 3HB SER 83 21.455 13.593 -6.249 664 HG SER 83 HG SER 83 22.755 12.737 -4.001 665 H GLY 84 H GLY 84 20.180 11.325 -4.486 666 HA2 GLY 84 2HA GLY 84 17.728 11.360 -6.102 667 HA3 GLY 84 3HA GLY 84 17.985 10.019 -4.996 668 H TYR 85 H TYR 85 15.937 12.206 -5.103 669 HA TYR 85 HA TYR 85 16.301 13.150 -2.338 670 HB2 TYR 85 2HB TYR 85 15.680 14.674 -4.783 671 HB3 TYR 85 3HB TYR 85 14.652 15.042 -3.402 672 HD1 TYR 85 HD2 TYR 85 15.843 15.613 -1.183 673 HD2 TYR 85 HD1 TYR 85 17.781 15.664 -4.971 674 HE1 TYR 85 HE2 TYR 85 17.597 17.069 -0.260 675 HE2 TYR 85 HE1 TYR 85 19.541 17.119 -4.058 676 HH TYR 85 HH TYR 85 19.327 18.895 -1.523 677 H VAL 86 H VAL 86 14.029 14.040 -1.554 678 HA VAL 86 HA VAL 86 11.917 13.526 -0.876 679 HB VAL 86 HB VAL 86 11.624 12.121 -3.533 680 HG11 VAL 86 1HG1 VAL 86 9.346 13.518 -2.320 681 HG12 VAL 86 2HG1 VAL 86 9.425 11.940 -3.106 682 HG13 VAL 86 3HG1 VAL 86 9.915 12.112 -1.421 683 HG21 VAL 86 3HG2 VAL 86 10.452 14.467 -3.978 684 HG22 VAL 86 1HG2 VAL 86 11.664 14.997 -2.811 685 HG23 VAL 86 2HG2 VAL 86 12.164 14.195 -4.300 686 HA PRO 87 HA PRO 87 13.408 9.253 0.229 687 HB2 PRO 87 2HB PRO 87 13.507 9.714 2.903 688 HB3 PRO 87 3HB PRO 87 14.858 10.063 1.817 689 HG2 PRO 87 2HG PRO 87 12.797 11.924 2.937 690 HG3 PRO 87 3HG PRO 87 14.546 12.164 2.765 691 HD2 PRO 87 2HD PRO 87 12.754 13.218 1.030 692 HD3 PRO 87 3HD PRO 87 14.379 12.708 0.531 693 HA PRO 88 HA PRO 88 9.486 7.698 1.468 694 HB2 PRO 88 2HB PRO 88 10.146 5.676 3.155 695 HB3 PRO 88 3HB PRO 88 10.398 5.590 1.407 696 HG2 PRO 88 2HG PRO 88 12.360 6.234 3.575 697 HG3 PRO 88 3HG PRO 88 12.567 5.200 2.150 698 HD2 PRO 88 2HD PRO 88 13.508 7.737 2.257 699 HD3 PRO 88 3HD PRO 88 12.944 6.991 0.748 700 H ALA 89 H ALA 89 8.327 6.825 3.600 701 HA ALA 89 HA ALA 89 9.058 8.074 6.056 702 HB1 ALA 89 1HB ALA 89 6.564 9.250 4.905 703 HB2 ALA 89 2HB ALA 89 7.604 9.862 6.192 704 HB3 ALA 89 3HB ALA 89 8.133 9.953 4.512 705 H GLN 90 H GLN 90 7.240 7.886 7.691 706 HA GLN 90 HA GLN 90 5.746 5.408 7.152 707 HB2 GLN 90 2HB GLN 90 6.951 6.547 9.657 708 HB3 GLN 90 3HB GLN 90 5.658 5.357 9.743 709 HG2 GLN 90 2HG GLN 90 8.246 4.931 8.271 710 HG3 GLN 90 3HG GLN 90 7.949 4.414 9.930 711 HE21 GLN 90 1HE2 GLN 90 5.525 3.363 9.926 712 HE22 GLN 90 2HE2 GLN 90 5.405 2.032 8.831 713 H GLY 91 H GLY 91 3.580 5.388 7.286 714 HA2 GLY 91 2HA GLY 91 2.226 7.636 8.611 715 HA3 GLY 91 3HA GLY 91 1.839 7.281 6.933 Start of MODEL 6 1 H1 MET 1 H MET 1 -4.524 6.499 1.077 2 HA MET 1 HA MET 1 -1.756 7.370 0.578 3 HB2 MET 1 2HB MET 1 -2.934 5.271 2.355 4 HB3 MET 1 3HB MET 1 -1.301 5.054 1.738 5 HG2 MET 1 2HG MET 1 -2.209 7.497 3.236 6 HG3 MET 1 3HG MET 1 -1.454 6.099 3.997 7 HE1 MET 1 3HE MET 1 -0.593 8.612 4.600 8 HE2 MET 1 1HE MET 1 1.147 8.735 4.339 9 HE3 MET 1 2HE MET 1 0.036 9.650 3.320 10 H ALA 2 H ALA 2 -0.838 6.712 -1.245 11 HA ALA 2 HA ALA 2 -2.138 4.630 -2.825 12 HB1 ALA 2 1HB ALA 2 -1.739 6.371 -4.248 13 HB2 ALA 2 2HB ALA 2 -0.259 6.856 -3.419 14 HB3 ALA 2 3HB ALA 2 -0.254 5.448 -4.483 15 H ARG 3 H ARG 3 1.305 5.454 -2.494 16 HA ARG 3 HA ARG 3 1.939 2.831 -1.458 17 HB2 ARG 3 2HB ARG 3 1.802 3.007 -4.171 18 HB3 ARG 3 3HB ARG 3 3.488 3.422 -3.896 19 HG2 ARG 3 2HG ARG 3 3.814 1.213 -3.968 20 HG3 ARG 3 3HG ARG 3 3.216 1.238 -2.308 21 HD2 ARG 3 2HD ARG 3 0.936 0.828 -3.157 22 HD3 ARG 3 3HD ARG 3 1.585 0.730 -4.794 23 HE ARG 3 HE ARG 3 2.994 -1.103 -3.276 24 HH11 ARG 3 1HH1 ARG 3 -0.308 -0.567 -4.238 25 HH12 ARG 3 2HH1 ARG 3 -0.726 -2.248 -4.211 26 HH21 ARG 3 1HH2 ARG 3 2.457 -3.320 -3.237 27 HH22 ARG 3 2HH2 ARG 3 0.847 -3.813 -3.641 28 H MET 4 H MET 4 4.615 2.726 -1.881 29 HA MET 4 HA MET 4 5.690 5.314 -1.014 30 HB2 MET 4 2HB MET 4 7.093 4.007 0.674 31 HB3 MET 4 3HB MET 4 5.398 4.256 1.068 32 HG2 MET 4 2HG MET 4 4.871 2.057 0.832 33 HG3 MET 4 3HG MET 4 6.131 1.769 -0.365 34 HE1 MET 4 3HE MET 4 5.276 1.417 3.527 35 HE2 MET 4 1HE MET 4 6.773 2.094 4.170 36 HE3 MET 4 2HE MET 4 5.706 3.093 3.184 37 H ILE 5 H ILE 5 6.909 5.697 -2.793 38 HA ILE 5 HA ILE 5 9.096 3.809 -3.311 39 HB ILE 5 HB ILE 5 8.898 4.006 -5.683 40 HG12 ILE 5 2HG1 ILE 5 6.443 5.313 -6.126 41 HG13 ILE 5 3HG1 ILE 5 7.340 6.341 -5.014 42 HG21 ILE 5 1HG2 ILE 5 6.240 3.412 -4.396 43 HG22 ILE 5 2HG2 ILE 5 6.638 3.028 -6.070 44 HG23 ILE 5 3HG2 ILE 5 7.536 2.271 -4.755 45 HD11 ILE 5 3HD1 ILE 5 7.691 6.904 -7.388 46 HD12 ILE 5 1HD1 ILE 5 9.180 6.476 -6.547 47 HD13 ILE 5 2HD1 ILE 5 8.413 5.313 -7.629 48 H HIS 6 H HIS 6 10.791 4.880 -4.771 49 HA HIS 6 HA HIS 6 11.277 7.571 -3.717 50 HB2 HIS 6 2HB HIS 6 13.637 7.131 -4.546 51 HB3 HIS 6 3HB HIS 6 13.081 6.107 -3.224 52 HD1 HIS 6 HD1 HIS 6 12.553 3.608 -3.813 53 HD2 HIS 6 HD2 HIS 6 14.245 5.810 -6.902 54 HE1 HIS 6 HE1 HIS 6 13.312 1.913 -5.509 55 H CYS 7 H CYS 7 10.363 9.033 -5.047 56 HA CYS 7 HA CYS 7 9.853 8.867 -7.732 57 HB2 CYS 7 2HB CYS 7 9.150 10.705 -6.143 58 HB3 CYS 7 3HB CYS 7 10.745 11.412 -6.373 59 HG CYS 7 HG CYS 7 8.193 12.193 -8.003 60 H ALA 8 H ALA 8 11.165 8.407 -9.361 61 HA ALA 8 HA ALA 8 14.000 8.882 -9.208 62 HB1 ALA 8 1HB ALA 8 12.408 7.070 -10.544 63 HB2 ALA 8 2HB ALA 8 12.999 8.124 -11.829 64 HB3 ALA 8 3HB ALA 8 14.142 7.298 -10.770 65 H LYS 9 H LYS 9 11.481 10.868 -9.883 66 HA LYS 9 HA LYS 9 12.829 12.342 -12.022 67 HB2 LYS 9 2HB LYS 9 10.411 11.908 -12.249 68 HB3 LYS 9 3HB LYS 9 10.119 12.792 -10.757 69 HG2 LYS 9 2HG LYS 9 9.614 14.326 -12.424 70 HG3 LYS 9 3HG LYS 9 11.251 14.767 -11.932 71 HD2 LYS 9 2HD LYS 9 11.045 12.791 -14.114 72 HD3 LYS 9 3HD LYS 9 10.495 14.424 -14.498 73 HE2 LYS 9 2HE LYS 9 13.106 14.054 -13.103 74 HE3 LYS 9 3HE LYS 9 13.005 13.733 -14.834 75 HZ1 LYS 9 3HZ LYS 9 11.911 16.035 -14.932 76 HZ2 LYS 9 1HZ LYS 9 13.588 15.955 -14.726 77 HZ3 LYS 9 2HZ LYS 9 12.587 16.276 -13.401 78 H LEU 10 H LEU 10 11.946 12.584 -8.643 79 HA LEU 10 HA LEU 10 13.165 15.256 -8.513 80 HB2 LEU 10 2HB LEU 10 11.587 13.908 -6.340 81 HB3 LEU 10 3HB LEU 10 11.987 15.618 -6.495 82 HG LEU 10 HG LEU 10 10.250 14.315 -8.549 83 HD11 LEU 10 1HD1 LEU 10 9.603 14.141 -5.885 84 HD12 LEU 10 2HD1 LEU 10 8.465 14.102 -7.231 85 HD13 LEU 10 3HD1 LEU 10 8.790 15.621 -6.396 86 HD21 LEU 10 3HD2 LEU 10 9.478 16.490 -8.934 87 HD22 LEU 10 1HD2 LEU 10 11.212 16.682 -8.675 88 HD23 LEU 10 2HD2 LEU 10 10.078 17.076 -7.383 89 H GLY 11 H GLY 11 13.188 12.065 -6.964 90 HA2 GLY 11 2HA GLY 11 15.292 11.041 -6.379 91 HA3 GLY 11 3HA GLY 11 15.929 12.646 -6.049 92 H LYS 12 H LYS 12 12.765 12.165 -4.910 93 HA LYS 12 HA LYS 12 13.795 11.663 -2.194 94 HB2 LYS 12 2HB LYS 12 11.308 13.235 -2.865 95 HB3 LYS 12 3HB LYS 12 12.105 13.104 -1.303 96 HG2 LYS 12 2HG LYS 12 13.037 15.059 -1.828 97 HG3 LYS 12 3HG LYS 12 14.099 14.110 -2.871 98 HD2 LYS 12 2HD LYS 12 13.016 14.746 -4.782 99 HD3 LYS 12 3HD LYS 12 11.466 14.953 -3.963 100 HE2 LYS 12 2HE LYS 12 13.832 16.789 -3.612 101 HE3 LYS 12 3HE LYS 12 12.514 17.079 -4.747 102 HZ1 LYS 12 3HZ LYS 12 11.652 18.194 -3.016 103 HZ2 LYS 12 1HZ LYS 12 12.569 17.363 -1.862 104 HZ3 LYS 12 2HZ LYS 12 11.162 16.664 -2.488 105 H GLU 13 H GLU 13 11.413 11.313 -0.874 106 HA GLU 13 HA GLU 13 10.532 8.747 -1.982 107 HB2 GLU 13 2HB GLU 13 10.992 9.782 0.704 108 HB3 GLU 13 3HB GLU 13 9.434 8.981 0.554 109 HG2 GLU 13 2HG GLU 13 10.703 7.048 -0.497 110 HG3 GLU 13 3HG GLU 13 12.166 7.839 0.088 111 H ALA 14 H ALA 14 8.743 8.831 -3.163 112 HA ALA 14 HA ALA 14 6.497 10.463 -2.183 113 HB1 ALA 14 1HB ALA 14 7.594 10.296 -4.969 114 HB2 ALA 14 2HB ALA 14 5.918 10.754 -4.666 115 HB3 ALA 14 3HB ALA 14 7.231 11.726 -4.002 116 H GLU 15 H GLU 15 4.395 9.773 -3.301 117 HA GLU 15 HA GLU 15 4.085 6.948 -2.872 118 HB2 GLU 15 2HB GLU 15 1.993 8.832 -3.949 119 HB3 GLU 15 3HB GLU 15 1.746 7.325 -3.078 120 HG2 GLU 15 2HG GLU 15 2.803 9.913 -1.972 121 HG3 GLU 15 3HG GLU 15 1.255 9.149 -1.618 122 H GLY 16 H GLY 16 3.839 5.357 -4.346 123 HA2 GLY 16 2HA GLY 16 4.114 6.138 -7.177 124 HA3 GLY 16 3HA GLY 16 4.658 4.611 -6.497 125 H LEU 17 H LEU 17 3.117 4.654 -8.770 126 HA LEU 17 HA LEU 17 0.338 4.370 -8.230 127 HB2 LEU 17 2HB LEU 17 1.929 3.291 -10.551 128 HB3 LEU 17 3HB LEU 17 0.179 3.491 -10.485 129 HG LEU 17 HG LEU 17 0.653 5.359 -11.659 130 HD11 LEU 17 1HD1 LEU 17 0.559 7.265 -10.326 131 HD12 LEU 17 2HD1 LEU 17 1.545 6.544 -9.055 132 HD13 LEU 17 3HD1 LEU 17 -0.115 6.002 -9.296 133 HD21 LEU 17 3HD2 LEU 17 2.741 6.383 -11.874 134 HD22 LEU 17 1HD2 LEU 17 3.123 4.678 -11.630 135 HD23 LEU 17 2HD2 LEU 17 3.285 5.818 -10.294 136 H ASP 18 H ASP 18 -0.514 2.081 -9.363 137 HA ASP 18 HA ASP 18 0.834 -0.144 -8.035 138 HB2 ASP 18 2HB ASP 18 -1.045 -0.852 -6.797 139 HB3 ASP 18 3HB ASP 18 -0.947 0.883 -6.509 140 H PHE 19 H PHE 19 0.404 0.705 -10.815 141 HA PHE 19 HA PHE 19 -0.442 -1.832 -11.856 142 HB2 PHE 19 2HB PHE 19 -2.186 0.583 -12.100 143 HB3 PHE 19 3HB PHE 19 -2.088 -0.528 -13.462 144 HD1 PHE 19 HD1 PHE 19 -2.050 -3.136 -12.376 145 HD2 PHE 19 HD2 PHE 19 -4.141 0.285 -10.949 146 HE1 PHE 19 HE1 PHE 19 -3.707 -4.603 -11.300 147 HE2 PHE 19 HE2 PHE 19 -5.801 -1.176 -9.870 148 HZ PHE 19 HZ PHE 19 -5.585 -3.623 -10.044 149 HA PRO 20 HA PRO 20 2.451 -0.747 -14.975 150 HB2 PRO 20 2HB PRO 20 1.562 -2.272 -17.038 151 HB3 PRO 20 3HB PRO 20 2.380 -2.950 -15.625 152 HG2 PRO 20 2HG PRO 20 -0.548 -2.812 -16.233 153 HG3 PRO 20 3HG PRO 20 0.394 -4.156 -15.560 154 HD2 PRO 20 2HD PRO 20 -1.118 -2.521 -14.019 155 HD3 PRO 20 3HD PRO 20 0.385 -3.263 -13.435 156 HA PRO 21 HA PRO 21 0.108 2.548 -16.989 157 HB2 PRO 21 2HB PRO 21 2.296 4.035 -17.599 158 HB3 PRO 21 3HB PRO 21 1.554 4.031 -15.995 159 HG2 PRO 21 2HG PRO 21 3.960 2.542 -16.972 160 HG3 PRO 21 3HG PRO 21 3.723 3.402 -15.440 161 HD2 PRO 21 2HD PRO 21 3.516 0.710 -15.646 162 HD3 PRO 21 3HD PRO 21 2.550 1.657 -14.496 163 H LEU 22 H LEU 22 2.482 0.389 -18.189 164 HA LEU 22 HA LEU 22 1.591 0.931 -20.926 165 HB2 LEU 22 2HB LEU 22 3.685 2.090 -20.756 166 HB3 LEU 22 3HB LEU 22 4.455 0.683 -20.027 167 HG LEU 22 HG LEU 22 3.663 -0.353 -22.401 168 HD11 LEU 22 1HD1 LEU 22 4.560 2.432 -23.085 169 HD12 LEU 22 2HD1 LEU 22 2.861 1.964 -23.038 170 HD13 LEU 22 3HD1 LEU 22 3.961 1.174 -24.167 171 HD21 LEU 22 3HD2 LEU 22 5.901 -0.424 -21.302 172 HD22 LEU 22 1HD2 LEU 22 6.234 1.165 -21.991 173 HD23 LEU 22 2HD2 LEU 22 5.961 -0.217 -23.053 174 HA PRO 23 HA PRO 23 1.110 -3.452 -20.988 175 HB2 PRO 23 2HB PRO 23 0.921 -3.789 -23.675 176 HB3 PRO 23 3HB PRO 23 -0.384 -3.105 -22.699 177 HG2 PRO 23 2HG PRO 23 1.662 -1.704 -24.376 178 HG3 PRO 23 3HG PRO 23 -0.076 -1.382 -24.229 179 HD2 PRO 23 2HD PRO 23 1.793 0.089 -22.935 180 HD3 PRO 23 3HD PRO 23 0.180 -0.213 -22.259 181 H GLY 24 H GLY 24 3.337 -3.766 -20.201 182 HA2 GLY 24 2HA GLY 24 4.803 -5.537 -21.748 183 HA3 GLY 24 3HA GLY 24 5.529 -3.956 -22.002 184 H GLU 25 H GLU 25 7.459 -4.790 -21.036 185 HA GLU 25 HA GLU 25 7.350 -5.470 -18.209 186 HB2 GLU 25 2HB GLU 25 9.684 -5.326 -20.125 187 HB3 GLU 25 3HB GLU 25 9.782 -5.873 -18.457 188 HG2 GLU 25 2HG GLU 25 7.893 -7.533 -19.274 189 HG3 GLU 25 3HG GLU 25 8.647 -7.225 -20.837 190 H LEU 26 H LEU 26 7.894 -2.742 -20.188 191 HA LEU 26 HA LEU 26 9.634 -1.274 -18.501 192 HB2 LEU 26 2HB LEU 26 8.745 -0.930 -21.006 193 HB3 LEU 26 3HB LEU 26 7.672 0.187 -20.165 194 HG LEU 26 HG LEU 26 10.673 0.289 -20.363 195 HD11 LEU 26 1HD1 LEU 26 9.767 1.333 -22.227 196 HD12 LEU 26 2HD1 LEU 26 9.999 2.666 -21.097 197 HD13 LEU 26 3HD1 LEU 26 8.393 1.974 -21.325 198 HD21 LEU 26 3HD2 LEU 26 8.860 1.924 -18.592 199 HD22 LEU 26 1HD2 LEU 26 10.570 2.241 -18.880 200 HD23 LEU 26 2HD2 LEU 26 10.075 0.762 -18.057 201 H GLY 27 H GLY 27 6.101 -1.103 -18.970 202 HA2 GLY 27 2HA GLY 27 5.501 0.848 -17.110 203 HA3 GLY 27 3HA GLY 27 4.428 -0.482 -17.522 204 H LYS 28 H LYS 28 6.039 -2.601 -16.553 205 HA LYS 28 HA LYS 28 5.186 -2.833 -13.943 206 HB2 LYS 28 2HB LYS 28 6.280 -4.558 -15.613 207 HB3 LYS 28 3HB LYS 28 7.750 -4.148 -14.740 208 HG2 LYS 28 2HG LYS 28 6.925 -4.994 -12.721 209 HG3 LYS 28 3HG LYS 28 5.260 -5.008 -13.308 210 HD2 LYS 28 2HD LYS 28 5.842 -7.245 -13.427 211 HD3 LYS 28 3HD LYS 28 6.170 -6.688 -15.069 212 HE2 LYS 28 2HE LYS 28 8.031 -8.002 -14.418 213 HE3 LYS 28 3HE LYS 28 8.555 -6.320 -14.345 214 HZ1 LYS 28 3HZ LYS 28 8.386 -6.325 -12.002 215 HZ2 LYS 28 1HZ LYS 28 9.220 -7.738 -12.414 216 HZ3 LYS 28 2HZ LYS 28 7.588 -7.816 -11.976 217 H ARG 29 H ARG 29 8.142 -1.401 -15.173 218 HA ARG 29 HA ARG 29 9.163 -0.975 -12.475 219 HB2 ARG 29 2HB ARG 29 10.425 -0.037 -15.046 220 HB3 ARG 29 3HB ARG 29 11.199 -0.291 -13.488 221 HG2 ARG 29 2HG ARG 29 10.537 -2.754 -13.792 222 HG3 ARG 29 3HG ARG 29 10.281 -2.322 -15.484 223 HD2 ARG 29 2HD ARG 29 12.481 -3.059 -15.462 224 HD3 ARG 29 3HD ARG 29 12.650 -1.308 -15.347 225 HE ARG 29 HE ARG 29 12.560 -2.518 -12.774 226 HH11 ARG 29 1HH1 ARG 29 14.639 -1.941 -15.507 227 HH12 ARG 29 2HH1 ARG 29 16.099 -2.002 -14.575 228 HH21 ARG 29 1HH2 ARG 29 14.475 -2.600 -11.537 229 HH22 ARG 29 2HH2 ARG 29 16.004 -2.378 -12.317 230 H LEU 30 H LEU 30 7.359 0.656 -14.872 231 HA LEU 30 HA LEU 30 8.074 3.330 -14.230 232 HB2 LEU 30 2HB LEU 30 5.691 2.109 -15.594 233 HB3 LEU 30 3HB LEU 30 5.845 3.846 -15.340 234 HG LEU 30 HG LEU 30 7.681 2.112 -16.991 235 HD11 LEU 30 1HD1 LEU 30 5.356 3.841 -17.598 236 HD12 LEU 30 2HD1 LEU 30 5.929 2.381 -18.405 237 HD13 LEU 30 3HD1 LEU 30 6.734 3.923 -18.697 238 HD21 LEU 30 3HD2 LEU 30 8.682 4.293 -17.655 239 HD22 LEU 30 1HD2 LEU 30 8.974 3.852 -15.973 240 HD23 LEU 30 2HD2 LEU 30 7.752 5.060 -16.367 241 H TYR 31 H TYR 31 5.563 1.127 -13.093 242 HA TYR 31 HA TYR 31 4.315 3.103 -11.420 243 HB2 TYR 31 2HB TYR 31 2.696 1.542 -11.048 244 HB3 TYR 31 3HB TYR 31 3.398 0.823 -12.493 245 HD1 TYR 31 HD2 TYR 31 3.139 0.580 -8.836 246 HD2 TYR 31 HD1 TYR 31 4.655 -1.229 -12.376 247 HE1 TYR 31 HE2 TYR 31 3.594 -1.485 -7.579 248 HE2 TYR 31 HE1 TYR 31 5.114 -3.299 -11.129 249 HH TYR 31 HH TYR 31 5.395 -4.119 -8.961 250 H GLU 32 H GLU 32 6.993 1.001 -11.145 251 HA GLU 32 HA GLU 32 6.969 1.155 -8.216 252 HB2 GLU 32 2HB GLU 32 8.302 -0.712 -8.158 253 HB3 GLU 32 3HB GLU 32 7.431 -1.005 -9.657 254 HG2 GLU 32 2HG GLU 32 9.381 0.115 -10.833 255 HG3 GLU 32 3HG GLU 32 10.242 -0.023 -9.301 256 H SER 33 H SER 33 8.003 2.981 -10.696 257 HA SER 33 HA SER 33 10.353 3.937 -9.197 258 HB2 SER 33 2HB SER 33 10.825 2.772 -11.439 259 HB3 SER 33 3HB SER 33 10.089 4.188 -12.190 260 HG SER 33 HG SER 33 12.115 4.531 -10.278 261 H VAL 34 H VAL 34 7.691 4.788 -11.359 262 HA VAL 34 HA VAL 34 8.086 7.620 -11.025 263 HB VAL 34 HB VAL 34 5.697 6.171 -12.175 264 HG11 VAL 34 1HG1 VAL 34 5.845 8.566 -13.441 265 HG12 VAL 34 2HG1 VAL 34 4.829 8.241 -12.035 266 HG13 VAL 34 3HG1 VAL 34 6.408 8.999 -11.827 267 HG21 VAL 34 3HG2 VAL 34 8.046 7.358 -13.646 268 HG22 VAL 34 1HG2 VAL 34 7.848 5.638 -13.309 269 HG23 VAL 34 2HG2 VAL 34 6.687 6.474 -14.341 270 H SER 35 H SER 35 6.762 9.057 -9.899 271 HA SER 35 HA SER 35 5.068 7.820 -7.828 272 HB2 SER 35 2HB SER 35 7.221 9.814 -7.650 273 HB3 SER 35 3HB SER 35 5.755 10.258 -6.776 274 HG SER 35 HG SER 35 6.004 7.869 -6.060 275 H LYS 36 H LYS 36 3.700 9.789 -6.791 276 HA LYS 36 HA LYS 36 1.778 10.450 -8.752 277 HB2 LYS 36 2HB LYS 36 1.589 10.215 -6.140 278 HB3 LYS 36 3HB LYS 36 1.950 11.936 -6.159 279 HG2 LYS 36 2HG LYS 36 -0.002 12.424 -7.409 280 HG3 LYS 36 3HG LYS 36 -0.292 10.715 -7.745 281 HD2 LYS 36 2HD LYS 36 -0.156 11.563 -4.902 282 HD3 LYS 36 3HD LYS 36 -1.588 12.019 -5.827 283 HE2 LYS 36 2HE LYS 36 -1.970 9.688 -6.412 284 HE3 LYS 36 3HE LYS 36 -0.507 9.215 -5.550 285 HZ1 LYS 36 3HZ LYS 36 -2.038 8.823 -3.943 286 HZ2 LYS 36 1HZ LYS 36 -3.113 10.008 -4.494 287 HZ3 LYS 36 2HZ LYS 36 -1.748 10.454 -3.601 288 H GLN 37 H GLN 37 4.667 11.993 -7.744 289 HA GLN 37 HA GLN 37 3.905 14.638 -8.605 290 HB2 GLN 37 2HB GLN 37 5.645 13.991 -6.797 291 HB3 GLN 37 3HB GLN 37 6.734 13.734 -8.154 292 HG2 GLN 37 2HG GLN 37 6.957 15.962 -7.127 293 HG3 GLN 37 3HG GLN 37 6.522 16.022 -8.834 294 HE21 GLN 37 1HE2 GLN 37 5.341 16.410 -5.564 295 HE22 GLN 37 2HE2 GLN 37 3.965 17.372 -5.970 296 H ALA 38 H ALA 38 6.475 12.416 -9.701 297 HA ALA 38 HA ALA 38 6.992 13.720 -12.115 298 HB1 ALA 38 1HB ALA 38 8.422 12.002 -12.586 299 HB2 ALA 38 2HB ALA 38 8.237 11.772 -10.846 300 HB3 ALA 38 3HB ALA 38 7.321 10.769 -11.970 301 H TRP 39 H TRP 39 4.465 11.519 -11.225 302 HA TRP 39 HA TRP 39 3.694 10.439 -13.639 303 HB2 TRP 39 2HB TRP 39 2.592 9.761 -11.619 304 HB3 TRP 39 3HB TRP 39 2.002 11.394 -11.326 305 HD1 TRP 39 HD1 TRP 39 -0.458 11.695 -11.925 306 HE1 TRP 39 HE1 TRP 39 -2.116 10.599 -13.560 307 HE3 TRP 39 HE3 TRP 39 2.714 8.400 -14.208 308 HZ2 TRP 39 HZ2 TRP 39 -2.083 8.600 -15.553 309 HZ3 TRP 39 HZ3 TRP 39 1.822 6.930 -15.968 310 HH2 TRP 39 HH2 TRP 39 -0.527 7.030 -16.625 311 H GLN 40 H GLN 40 3.264 13.702 -12.459 312 HA GLN 40 HA GLN 40 1.550 14.417 -14.698 313 HB2 GLN 40 2HB GLN 40 2.622 16.035 -12.383 314 HB3 GLN 40 3HB GLN 40 1.573 16.683 -13.637 315 HG2 GLN 40 2HG GLN 40 0.840 14.391 -11.832 316 HG3 GLN 40 3HG GLN 40 0.402 16.074 -11.540 317 HE21 GLN 40 1HE2 GLN 40 -0.536 17.088 -13.691 318 HE22 GLN 40 2HE2 GLN 40 -1.823 16.171 -14.388 319 H ASP 41 H ASP 41 4.866 14.680 -13.694 320 HA ASP 41 HA ASP 41 5.626 16.733 -15.514 321 HB2 ASP 41 2HB ASP 41 6.875 15.964 -13.416 322 HB3 ASP 41 3HB ASP 41 7.470 14.627 -14.397 323 H TRP 42 H TRP 42 5.588 13.211 -15.649 324 HA TRP 42 HA TRP 42 6.992 12.953 -18.090 325 HB2 TRP 42 2HB TRP 42 5.003 11.114 -16.746 326 HB3 TRP 42 3HB TRP 42 5.959 10.673 -18.158 327 HD1 TRP 42 HD1 TRP 42 6.007 10.187 -14.597 328 HE1 TRP 42 HE1 TRP 42 8.374 9.687 -13.720 329 HE3 TRP 42 HE3 TRP 42 8.714 11.693 -18.664 330 HZ2 TRP 42 HZ2 TRP 42 11.037 9.903 -14.631 331 HZ3 TRP 42 HZ3 TRP 42 11.166 11.514 -18.580 332 HH2 TRP 42 HH2 TRP 42 12.302 10.638 -16.605 333 H LEU 43 H LEU 43 3.709 13.748 -17.324 334 HA LEU 43 HA LEU 43 2.640 13.135 -19.916 335 HB2 LEU 43 2HB LEU 43 1.549 14.807 -17.658 336 HB3 LEU 43 3HB LEU 43 0.653 14.377 -19.113 337 HG LEU 43 HG LEU 43 1.755 12.282 -17.262 338 HD11 LEU 43 1HD1 LEU 43 -1.068 13.256 -17.102 339 HD12 LEU 43 2HD1 LEU 43 0.201 14.025 -16.150 340 HD13 LEU 43 3HD1 LEU 43 -0.142 12.308 -15.938 341 HD21 LEU 43 3HD2 LEU 43 -0.318 11.112 -18.251 342 HD22 LEU 43 1HD2 LEU 43 1.109 11.303 -19.270 343 HD23 LEU 43 2HD2 LEU 43 -0.268 12.387 -19.470 344 H LYS 44 H LYS 44 4.169 15.865 -18.416 345 HA LYS 44 HA LYS 44 3.265 17.905 -20.129 346 HB2 LYS 44 2HB LYS 44 5.520 17.541 -18.241 347 HB3 LYS 44 3HB LYS 44 5.725 18.789 -19.463 348 HG2 LYS 44 2HG LYS 44 3.244 19.377 -18.604 349 HG3 LYS 44 3HG LYS 44 3.935 18.696 -17.130 350 HD2 LYS 44 2HD LYS 44 4.659 20.815 -16.824 351 HD3 LYS 44 3HD LYS 44 5.960 20.295 -17.898 352 HE2 LYS 44 2HE LYS 44 5.283 22.275 -18.878 353 HE3 LYS 44 3HE LYS 44 4.360 21.080 -19.787 354 HZ1 LYS 44 3HZ LYS 44 3.361 22.736 -17.534 355 HZ2 LYS 44 1HZ LYS 44 2.471 21.519 -18.301 356 HZ3 LYS 44 2HZ LYS 44 2.941 22.895 -19.165 357 H GLN 45 H GLN 45 6.262 15.977 -20.243 358 HA GLN 45 HA GLN 45 7.167 17.054 -22.693 359 HB2 GLN 45 2HB GLN 45 8.847 15.384 -22.647 360 HB3 GLN 45 3HB GLN 45 8.547 15.813 -20.969 361 HG2 GLN 45 2HG GLN 45 7.201 13.828 -20.666 362 HG3 GLN 45 3HG GLN 45 7.393 13.412 -22.368 363 HE21 GLN 45 1HE2 GLN 45 8.853 11.922 -22.748 364 HE22 GLN 45 2HE2 GLN 45 10.264 11.605 -21.803 365 H GLN 46 H GLN 46 5.066 14.372 -21.888 366 HA GLN 46 HA GLN 46 5.055 12.916 -24.222 367 HB2 GLN 46 2HB GLN 46 3.399 13.149 -21.929 368 HB3 GLN 46 3HB GLN 46 2.348 13.190 -23.339 369 HG2 GLN 46 2HG GLN 46 3.175 11.088 -24.106 370 HG3 GLN 46 3HG GLN 46 4.431 11.074 -22.869 371 HE21 GLN 46 1HE2 GLN 46 0.911 11.224 -23.228 372 HE22 GLN 46 2HE2 GLN 46 0.554 10.258 -21.841 373 H THR 47 H THR 47 3.295 15.900 -23.504 374 HA THR 47 HA THR 47 2.057 15.962 -26.114 375 HB THR 47 HB THR 47 2.110 18.035 -23.912 376 HG1 THR 47 HG1 THR 47 0.897 16.274 -23.282 377 HG21 THR 47 3HG2 THR 47 0.488 17.929 -26.458 378 HG22 THR 47 1HG2 THR 47 1.751 19.098 -26.071 379 HG23 THR 47 2HG2 THR 47 0.250 19.083 -25.146 380 H MET 48 H MET 48 4.945 17.143 -24.645 381 HA MET 48 HA MET 48 5.427 19.277 -26.486 382 HB2 MET 48 2HB MET 48 7.307 17.798 -24.637 383 HB3 MET 48 3HB MET 48 7.720 19.255 -25.532 384 HG2 MET 48 2HG MET 48 5.317 19.386 -23.821 385 HG3 MET 48 3HG MET 48 6.874 19.275 -23.003 386 HE1 MET 48 3HE MET 48 7.122 21.177 -21.859 387 HE2 MET 48 1HE MET 48 7.256 22.835 -22.447 388 HE3 MET 48 2HE MET 48 5.666 22.125 -22.166 389 H LEU 49 H LEU 49 6.195 15.865 -26.359 390 HA LEU 49 HA LEU 49 8.031 15.981 -28.579 391 HB2 LEU 49 2HB LEU 49 6.724 13.590 -27.290 392 HB3 LEU 49 3HB LEU 49 8.096 13.561 -28.396 393 HG LEU 49 HG LEU 49 7.993 14.268 -25.508 394 HD11 LEU 49 1HD1 LEU 49 8.797 12.070 -26.578 395 HD12 LEU 49 2HD1 LEU 49 9.802 12.820 -25.338 396 HD13 LEU 49 3HD1 LEU 49 10.228 12.993 -27.040 397 HD21 LEU 49 3HD2 LEU 49 9.790 15.538 -27.546 398 HD22 LEU 49 1HD2 LEU 49 10.313 15.301 -25.878 399 HD23 LEU 49 2HD2 LEU 49 8.898 16.295 -26.225 400 H ILE 50 H ILE 50 4.675 15.022 -28.045 401 HA ILE 50 HA ILE 50 4.184 13.948 -30.599 402 HB ILE 50 HB ILE 50 2.285 15.245 -28.644 403 HG12 ILE 50 2HG1 ILE 50 2.553 12.313 -29.268 404 HG13 ILE 50 3HG1 ILE 50 3.581 13.086 -28.065 405 HG21 ILE 50 1HG2 ILE 50 1.875 14.233 -31.359 406 HG22 ILE 50 2HG2 ILE 50 0.769 13.564 -30.160 407 HG23 ILE 50 3HG2 ILE 50 0.875 15.310 -30.385 408 HD11 ILE 50 3HD1 ILE 50 0.877 12.160 -27.836 409 HD12 ILE 50 1HD1 ILE 50 1.989 12.705 -26.581 410 HD13 ILE 50 2HD1 ILE 50 0.981 13.874 -27.436 411 H ASN 51 H ASN 51 4.043 17.235 -29.352 412 HA ASN 51 HA ASN 51 2.911 18.298 -31.784 413 HB2 ASN 51 2HB ASN 51 3.942 19.539 -29.240 414 HB3 ASN 51 3HB ASN 51 3.486 20.524 -30.627 415 HD21 ASN 51 1HD2 ASN 51 2.120 17.656 -29.040 416 HD22 ASN 51 2HD2 ASN 51 0.533 18.311 -28.847 417 H GLU 52 H GLU 52 6.078 18.257 -30.204 418 HA GLU 52 HA GLU 52 7.387 19.879 -32.122 419 HB2 GLU 52 2HB GLU 52 8.321 19.564 -29.901 420 HB3 GLU 52 3HB GLU 52 8.493 17.838 -30.188 421 HG2 GLU 52 2HG GLU 52 10.633 18.861 -30.416 422 HG3 GLU 52 3HG GLU 52 10.088 18.348 -32.012 423 H ASN 53 H ASN 53 7.737 16.371 -31.558 424 HA ASN 53 HA ASN 53 9.011 15.907 -34.047 425 HB2 ASN 53 2HB ASN 53 7.603 13.934 -32.233 426 HB3 ASN 53 3HB ASN 53 8.734 13.528 -33.521 427 HD21 ASN 53 1HD2 ASN 53 8.366 14.372 -30.268 428 HD22 ASN 53 2HD2 ASN 53 10.039 14.519 -29.864 429 H ARG 54 H ARG 54 5.745 16.326 -33.166 430 HA ARG 54 HA ARG 54 3.792 16.229 -34.326 431 HB2 ARG 54 2HB ARG 54 5.563 15.940 -36.760 432 HB3 ARG 54 3HB ARG 54 3.877 16.440 -36.746 433 HG2 ARG 54 2HG ARG 54 5.959 17.994 -35.259 434 HG3 ARG 54 3HG ARG 54 5.689 18.237 -36.986 435 HD2 ARG 54 2HD ARG 54 3.324 18.722 -36.532 436 HD3 ARG 54 3HD ARG 54 3.621 18.510 -34.807 437 HE ARG 54 HE ARG 54 5.411 20.426 -35.653 438 HH11 ARG 54 1HH1 ARG 54 1.952 20.043 -35.583 439 HH12 ARG 54 2HH1 ARG 54 1.636 21.740 -35.435 440 HH21 ARG 54 1HH2 ARG 54 5.008 22.663 -35.458 441 HH22 ARG 54 2HH2 ARG 54 3.375 23.229 -35.365 442 H LEU 55 H LEU 55 4.397 13.910 -33.134 443 HA LEU 55 HA LEU 55 4.367 11.703 -34.982 444 HB2 LEU 55 2HB LEU 55 3.851 11.701 -32.013 445 HB3 LEU 55 3HB LEU 55 4.228 10.302 -33.017 446 HG LEU 55 HG LEU 55 6.124 12.595 -32.522 447 HD11 LEU 55 1HD1 LEU 55 7.311 10.916 -31.083 448 HD12 LEU 55 2HD1 LEU 55 5.853 9.927 -31.156 449 HD13 LEU 55 3HD1 LEU 55 5.794 11.532 -30.425 450 HD21 LEU 55 3HD2 LEU 55 6.848 11.609 -34.477 451 HD22 LEU 55 1HD2 LEU 55 6.276 10.008 -34.007 452 HD23 LEU 55 2HD2 LEU 55 7.727 10.679 -33.262 453 H ASN 56 H ASN 56 2.651 9.953 -34.643 454 HA ASN 56 HA ASN 56 0.008 11.249 -34.663 455 HB2 ASN 56 2HB ASN 56 0.798 10.172 -36.796 456 HB3 ASN 56 3HB ASN 56 0.763 8.624 -35.959 457 HD21 ASN 56 1HD2 ASN 56 -0.928 7.512 -36.593 458 HD22 ASN 56 2HD2 ASN 56 -2.526 8.127 -36.822 459 H MET 57 H MET 57 -0.522 11.063 -32.506 460 HA MET 57 HA MET 57 -0.105 8.913 -30.823 461 HB2 MET 57 2HB MET 57 -2.513 10.740 -30.834 462 HB3 MET 57 3HB MET 57 -1.948 9.779 -29.474 463 HG2 MET 57 2HG MET 57 0.058 11.083 -29.312 464 HG3 MET 57 3HG MET 57 -0.349 11.963 -30.783 465 HE1 MET 57 3HE MET 57 -1.508 13.969 -30.937 466 HE2 MET 57 1HE MET 57 -3.113 13.275 -30.708 467 HE3 MET 57 2HE MET 57 -2.626 14.694 -29.781 468 H ALA 58 H ALA 58 -2.452 9.300 -33.360 469 HA ALA 58 HA ALA 58 -4.392 7.461 -32.682 470 HB1 ALA 58 1HB ALA 58 -5.108 8.243 -34.634 471 HB2 ALA 58 2HB ALA 58 -3.483 8.748 -35.098 472 HB3 ALA 58 3HB ALA 58 -4.018 7.098 -35.417 473 H ASP 59 H ASP 59 -1.126 6.907 -33.767 474 HA ASP 59 HA ASP 59 -1.628 4.003 -33.733 475 HB2 ASP 59 2HB ASP 59 0.151 5.715 -35.403 476 HB3 ASP 59 3HB ASP 59 0.715 4.098 -34.992 477 HA PRO 60 HA PRO 60 1.097 3.459 -30.341 478 HB2 PRO 60 2HB PRO 60 2.400 1.170 -30.998 479 HB3 PRO 60 3HB PRO 60 0.702 1.202 -30.508 480 HG2 PRO 60 2HG PRO 60 1.878 1.066 -33.258 481 HG3 PRO 60 3HG PRO 60 0.507 0.168 -32.582 482 HD2 PRO 60 2HD PRO 60 0.187 2.334 -34.176 483 HD3 PRO 60 3HD PRO 60 -0.953 1.928 -32.877 484 H ARG 61 H ARG 61 2.317 4.046 -33.452 485 HA ARG 61 HA ARG 61 5.081 3.774 -33.071 486 HB2 ARG 61 2HB ARG 61 3.554 5.696 -34.835 487 HB3 ARG 61 3HB ARG 61 5.285 5.404 -34.940 488 HG2 ARG 61 2HG ARG 61 3.197 3.268 -35.302 489 HG3 ARG 61 3HG ARG 61 3.920 4.185 -36.625 490 HD2 ARG 61 2HD ARG 61 6.164 3.399 -35.787 491 HD3 ARG 61 3HD ARG 61 5.291 2.311 -34.709 492 HE ARG 61 HE ARG 61 4.894 0.941 -36.492 493 HH11 ARG 61 1HH1 ARG 61 5.773 4.095 -37.674 494 HH12 ARG 61 2HH1 ARG 61 5.835 3.600 -39.333 495 HH21 ARG 61 1HH2 ARG 61 4.972 0.276 -38.673 496 HH22 ARG 61 2HH2 ARG 61 5.378 1.427 -39.900 497 H ALA 62 H ALA 62 2.842 6.294 -32.149 498 HA ALA 62 HA ALA 62 4.837 8.244 -31.517 499 HB1 ALA 62 1HB ALA 62 2.977 9.459 -31.706 500 HB2 ALA 62 2HB ALA 62 1.936 8.060 -31.437 501 HB3 ALA 62 3HB ALA 62 2.603 8.939 -30.062 502 H ARG 63 H ARG 63 3.249 5.653 -29.792 503 HA ARG 63 HA ARG 63 4.227 6.523 -27.211 504 HB2 ARG 63 2HB ARG 63 2.804 3.998 -28.073 505 HB3 ARG 63 3HB ARG 63 3.227 4.384 -26.410 506 HG2 ARG 63 2HG ARG 63 1.170 5.243 -26.305 507 HG3 ARG 63 3HG ARG 63 1.872 6.620 -27.157 508 HD2 ARG 63 2HD ARG 63 0.098 6.181 -28.526 509 HD3 ARG 63 3HD ARG 63 1.316 5.149 -29.274 510 HE ARG 63 HE ARG 63 0.138 3.302 -28.583 511 HH11 ARG 63 1HH1 ARG 63 -1.086 6.136 -26.974 512 HH12 ARG 63 2HH1 ARG 63 -2.464 5.323 -26.311 513 HH21 ARG 63 1HH2 ARG 63 -1.673 2.221 -27.715 514 HH22 ARG 63 2HH2 ARG 63 -2.797 3.096 -26.732 515 H GLN 64 H GLN 64 5.090 4.210 -29.695 516 HA GLN 64 HA GLN 64 6.894 2.638 -28.239 517 HB2 GLN 64 2HB GLN 64 6.431 3.227 -31.112 518 HB3 GLN 64 3HB GLN 64 7.986 2.528 -30.684 519 HG2 GLN 64 2HG GLN 64 5.540 1.252 -29.595 520 HG3 GLN 64 3HG GLN 64 5.902 1.037 -31.307 521 HE21 GLN 64 1HE2 GLN 64 8.158 0.323 -31.786 522 HE22 GLN 64 2HE2 GLN 64 8.857 -0.854 -30.732 523 H TYR 65 H TYR 65 7.141 5.860 -29.416 524 HA TYR 65 HA TYR 65 10.043 5.912 -29.233 525 HB2 TYR 65 2HB TYR 65 9.155 7.188 -31.038 526 HB3 TYR 65 3HB TYR 65 7.986 7.986 -29.991 527 HD1 TYR 65 HD2 TYR 65 11.654 7.646 -30.553 528 HD2 TYR 65 HD1 TYR 65 8.484 10.066 -29.069 529 HE1 TYR 65 HE2 TYR 65 13.236 9.497 -30.208 530 HE2 TYR 65 HE1 TYR 65 10.057 11.924 -28.721 531 HH TYR 65 HH TYR 65 12.657 12.083 -28.316 532 H LEU 66 H LEU 66 7.235 7.293 -27.574 533 HA LEU 66 HA LEU 66 8.576 8.895 -25.731 534 HB2 LEU 66 2HB LEU 66 5.935 7.503 -25.743 535 HB3 LEU 66 3HB LEU 66 6.492 8.293 -24.269 536 HG LEU 66 HG LEU 66 6.305 9.762 -26.884 537 HD11 LEU 66 1HD1 LEU 66 4.114 10.573 -26.161 538 HD12 LEU 66 2HD1 LEU 66 4.159 9.470 -24.787 539 HD13 LEU 66 3HD1 LEU 66 4.104 8.830 -26.429 540 HD21 LEU 66 3HD2 LEU 66 6.724 11.631 -25.684 541 HD22 LEU 66 1HD2 LEU 66 7.509 10.483 -24.600 542 HD23 LEU 66 2HD2 LEU 66 5.871 11.041 -24.257 543 H MET 67 H MET 67 7.762 5.458 -25.604 544 HA MET 67 HA MET 67 8.517 4.963 -22.955 545 HB2 MET 67 2HB MET 67 8.723 3.082 -25.312 546 HB3 MET 67 3HB MET 67 8.692 2.618 -23.616 547 HG2 MET 67 2HG MET 67 6.456 2.979 -23.410 548 HG3 MET 67 3HG MET 67 6.429 4.225 -24.655 549 HE1 MET 67 3HE MET 67 6.736 -0.275 -25.393 550 HE2 MET 67 1HE MET 67 8.168 0.675 -25.791 551 HE3 MET 67 2HE MET 67 7.540 0.676 -24.143 552 H LYS 68 H LYS 68 10.407 5.656 -25.726 553 HA LYS 68 HA LYS 68 12.835 4.484 -24.646 554 HB2 LYS 68 2HB LYS 68 12.803 6.319 -27.009 555 HB3 LYS 68 3HB LYS 68 13.827 4.924 -26.698 556 HG2 LYS 68 2HG LYS 68 10.936 4.913 -27.528 557 HG3 LYS 68 3HG LYS 68 12.329 4.384 -28.474 558 HD2 LYS 68 2HD LYS 68 11.195 3.102 -25.994 559 HD3 LYS 68 3HD LYS 68 11.244 2.432 -27.626 560 HE2 LYS 68 2HE LYS 68 13.594 2.990 -25.820 561 HE3 LYS 68 3HE LYS 68 12.968 1.409 -26.284 562 HZ1 LYS 68 3HZ LYS 68 13.470 2.711 -28.649 563 HZ2 LYS 68 1HZ LYS 68 14.398 1.476 -27.960 564 HZ3 LYS 68 2HZ LYS 68 14.793 3.095 -27.667 565 H GLN 69 H GLN 69 11.164 7.469 -24.562 566 HA GLN 69 HA GLN 69 13.527 9.030 -23.916 567 HB2 GLN 69 2HB GLN 69 10.652 9.929 -23.774 568 HB3 GLN 69 3HB GLN 69 12.089 10.935 -23.898 569 HG2 GLN 69 2HG GLN 69 11.170 9.029 -26.036 570 HG3 GLN 69 3HG GLN 69 10.778 10.748 -25.997 571 HE21 GLN 69 1HE2 GLN 69 12.729 12.201 -25.787 572 HE22 GLN 69 2HE2 GLN 69 14.105 11.792 -26.748 573 H THR 70 H THR 70 11.011 7.309 -22.306 574 HA THR 70 HA THR 70 11.476 8.644 -19.761 575 HB THR 70 HB THR 70 9.808 6.195 -19.856 576 HG1 THR 70 HG1 THR 70 8.323 7.000 -21.171 577 HG21 THR 70 3HG2 THR 70 8.504 7.331 -18.276 578 HG22 THR 70 1HG2 THR 70 9.087 8.912 -18.796 579 HG23 THR 70 2HG2 THR 70 10.153 7.829 -17.902 580 H GLU 71 H GLU 71 11.831 5.398 -21.168 581 HA GLU 71 HA GLU 71 12.936 4.168 -18.898 582 HB2 GLU 71 2HB GLU 71 12.034 2.983 -20.908 583 HB3 GLU 71 3HB GLU 71 13.478 3.465 -21.786 584 HG2 GLU 71 2HG GLU 71 14.778 2.283 -19.929 585 HG3 GLU 71 3HG GLU 71 13.233 1.556 -19.493 586 H LYS 72 H LYS 72 14.576 5.434 -21.800 587 HA LYS 72 HA LYS 72 17.193 5.033 -20.914 588 HB2 LYS 72 2HB LYS 72 16.084 5.926 -23.218 589 HB3 LYS 72 3HB LYS 72 16.708 7.436 -22.568 590 HG2 LYS 72 2HG LYS 72 18.500 5.063 -22.633 591 HG3 LYS 72 3HG LYS 72 18.165 5.923 -24.137 592 HD2 LYS 72 2HD LYS 72 19.477 7.639 -23.560 593 HD3 LYS 72 3HD LYS 72 18.786 7.722 -21.938 594 HE2 LYS 72 2HE LYS 72 20.868 7.086 -21.334 595 HE3 LYS 72 3HE LYS 72 20.238 5.479 -21.695 596 HZ1 LYS 72 3HZ LYS 72 22.477 6.405 -22.741 597 HZ2 LYS 72 1HZ LYS 72 21.397 6.961 -23.919 598 HZ3 LYS 72 2HZ LYS 72 21.478 5.311 -23.558 599 H TYR 73 H TYR 73 14.852 7.277 -19.873 600 HA TYR 73 HA TYR 73 16.562 9.381 -19.034 601 HB2 TYR 73 2HB TYR 73 14.012 9.428 -19.352 602 HB3 TYR 73 3HB TYR 73 13.922 8.707 -17.749 603 HD1 TYR 73 HD2 TYR 73 15.050 9.972 -15.823 604 HD2 TYR 73 HD1 TYR 73 14.214 11.744 -19.600 605 HE1 TYR 73 HE2 TYR 73 15.216 12.205 -14.806 606 HE2 TYR 73 HE1 TYR 73 14.379 13.982 -18.593 607 HH TYR 73 HH TYR 73 15.818 14.666 -15.860 608 H PHE 74 H PHE 74 14.700 7.198 -16.925 609 HA PHE 74 HA PHE 74 16.782 7.453 -14.895 610 HB2 PHE 74 2HB PHE 74 14.459 7.824 -14.202 611 HB3 PHE 74 3HB PHE 74 14.030 6.205 -14.744 612 HD1 PHE 74 HD2 PHE 74 16.807 7.596 -12.672 613 HD2 PHE 74 HD1 PHE 74 13.588 4.827 -12.971 614 HE1 PHE 74 HE2 PHE 74 17.369 6.708 -10.448 615 HE2 PHE 74 HE1 PHE 74 14.144 3.935 -10.746 616 HZ PHE 74 HZ PHE 74 16.037 4.875 -9.482 617 H PHE 75 H PHE 75 14.949 4.890 -16.546 618 HA PHE 75 HA PHE 75 16.469 2.759 -15.454 619 HB2 PHE 75 2HB PHE 75 14.828 2.782 -17.995 620 HB3 PHE 75 3HB PHE 75 15.344 1.357 -17.099 621 HD1 PHE 75 HD1 PHE 75 14.802 2.405 -14.321 622 HD2 PHE 75 HD2 PHE 75 12.497 2.506 -17.898 623 HE1 PHE 75 HE1 PHE 75 12.738 2.498 -12.984 624 HE2 PHE 75 HE2 PHE 75 10.430 2.600 -16.567 625 HZ PHE 75 HZ PHE 75 10.548 2.597 -14.107 626 H GLY 76 H GLY 76 17.288 5.096 -17.683 627 HA2 GLY 76 2HA GLY 76 19.292 3.332 -18.950 628 HA3 GLY 76 3HA GLY 76 18.619 4.763 -19.718 629 H GLU 77 H GLU 77 19.610 6.682 -19.445 630 HA GLU 77 HA GLU 77 22.222 6.870 -18.603 631 HB2 GLU 77 2HB GLU 77 22.002 9.242 -18.743 632 HB3 GLU 77 3HB GLU 77 20.960 8.550 -19.979 633 HG2 GLU 77 2HG GLU 77 19.011 8.943 -18.641 634 HG3 GLU 77 3HG GLU 77 20.001 9.470 -17.281 635 H GLY 78 H GLY 78 19.293 7.139 -16.713 636 HA2 GLY 78 2HA GLY 78 20.761 8.029 -14.354 637 HA3 GLY 78 3HA GLY 78 19.021 7.819 -14.480 638 H ALA 79 H ALA 79 21.610 5.518 -15.237 639 HA ALA 79 HA ALA 79 21.006 3.946 -12.875 640 HB1 ALA 79 1HB ALA 79 20.892 2.046 -14.940 641 HB2 ALA 79 2HB ALA 79 19.593 2.543 -13.854 642 HB3 ALA 79 3HB ALA 79 19.802 3.352 -15.406 643 H ASP 80 H ASP 80 22.296 1.714 -13.184 644 HA ASP 80 HA ASP 80 24.974 2.451 -14.174 645 HB2 ASP 80 2HB ASP 80 25.942 1.150 -12.366 646 HB3 ASP 80 3HB ASP 80 24.838 2.350 -11.700 647 H GLN 81 H GLN 81 26.291 0.119 -14.028 648 HA GLN 81 HA GLN 81 25.588 -1.239 -16.331 649 HB2 GLN 81 2HB GLN 81 27.259 -2.066 -13.967 650 HB3 GLN 81 3HB GLN 81 27.060 -3.105 -15.372 651 HG2 GLN 81 2HG GLN 81 28.064 -1.457 -16.800 652 HG3 GLN 81 3HG GLN 81 28.134 -0.297 -15.475 653 HE21 GLN 81 1HE2 GLN 81 30.035 -0.108 -14.554 654 HE22 GLN 81 2HE2 GLN 81 31.256 -1.327 -14.467 655 H ALA 82 H ALA 82 24.887 -3.479 -16.610 656 HA ALA 82 HA ALA 82 22.796 -4.187 -14.660 657 HB1 ALA 82 1HB ALA 82 22.786 -3.982 -17.545 658 HB2 ALA 82 2HB ALA 82 22.244 -5.571 -17.002 659 HB3 ALA 82 3HB ALA 82 21.435 -4.116 -16.418 660 H SER 83 H SER 83 22.955 -6.061 -13.611 661 HA SER 83 HA SER 83 25.231 -7.689 -13.783 662 HB2 SER 83 2HB SER 83 23.649 -7.437 -11.805 663 HB3 SER 83 3HB SER 83 22.576 -8.563 -12.636 664 HG SER 83 HG SER 83 24.600 -9.161 -11.091 665 H GLY 84 H GLY 84 24.623 -10.278 -13.829 666 HA2 GLY 84 2HA GLY 84 24.232 -10.795 -16.616 667 HA3 GLY 84 3HA GLY 84 24.493 -11.997 -15.361 668 H TYR 85 H TYR 85 22.867 -13.353 -15.058 669 HA TYR 85 HA TYR 85 20.398 -13.129 -16.360 670 HB2 TYR 85 2HB TYR 85 21.647 -14.969 -14.449 671 HB3 TYR 85 3HB TYR 85 19.896 -14.874 -14.292 672 HD1 TYR 85 HD1 TYR 85 18.658 -14.900 -16.702 673 HD2 TYR 85 HD2 TYR 85 22.456 -16.613 -15.838 674 HE1 TYR 85 HE1 TYR 85 18.401 -16.421 -18.617 675 HE2 TYR 85 HE2 TYR 85 22.209 -18.138 -17.752 676 HH TYR 85 HH TYR 85 20.628 -17.873 -20.125 677 H VAL 86 H VAL 86 18.255 -13.307 -15.125 678 HA VAL 86 HA VAL 86 17.993 -11.990 -12.619 679 HB VAL 86 HB VAL 86 18.492 -9.977 -13.828 680 HG11 VAL 86 1HG1 VAL 86 16.393 -9.663 -15.658 681 HG12 VAL 86 2HG1 VAL 86 18.108 -9.876 -16.014 682 HG13 VAL 86 3HG1 VAL 86 17.042 -11.279 -15.937 683 HG21 VAL 86 3HG2 VAL 86 15.602 -9.569 -13.813 684 HG22 VAL 86 1HG2 VAL 86 16.208 -10.368 -12.362 685 HG23 VAL 86 2HG2 VAL 86 16.860 -8.802 -12.844 686 HA PRO 87 HA PRO 87 14.448 -14.634 -13.980 687 HB2 PRO 87 2HB PRO 87 14.299 -16.018 -11.649 688 HB3 PRO 87 3HB PRO 87 15.378 -16.477 -12.972 689 HG2 PRO 87 2HG PRO 87 15.993 -14.960 -10.466 690 HG3 PRO 87 3HG PRO 87 16.923 -16.251 -11.249 691 HD2 PRO 87 2HD PRO 87 17.561 -13.632 -11.509 692 HD3 PRO 87 3HD PRO 87 17.846 -14.817 -12.800 693 HA PRO 88 HA PRO 88 11.260 -12.415 -11.918 694 HB2 PRO 88 2HB PRO 88 9.330 -14.296 -11.596 695 HB3 PRO 88 3HB PRO 88 9.742 -13.602 -13.169 696 HG2 PRO 88 2HG PRO 88 10.592 -16.208 -11.966 697 HG3 PRO 88 3HG PRO 88 10.067 -15.860 -13.623 698 HD2 PRO 88 2HD PRO 88 12.676 -16.121 -12.946 699 HD3 PRO 88 3HD PRO 88 12.129 -15.031 -14.236 700 H ALA 89 H ALA 89 9.662 -12.597 -9.996 701 HA ALA 89 HA ALA 89 11.141 -13.719 -7.708 702 HB1 ALA 89 1HB ALA 89 9.371 -11.297 -7.921 703 HB2 ALA 89 2HB ALA 89 9.870 -11.986 -6.377 704 HB3 ALA 89 3HB ALA 89 11.081 -11.366 -7.498 705 H GLN 90 H GLN 90 10.258 -15.585 -7.089 706 HA GLN 90 HA GLN 90 7.336 -15.690 -6.765 707 HB2 GLN 90 2HB GLN 90 7.859 -17.003 -8.723 708 HB3 GLN 90 3HB GLN 90 9.133 -17.857 -7.861 709 HG2 GLN 90 2HG GLN 90 6.373 -17.994 -6.778 710 HG3 GLN 90 3HG GLN 90 6.751 -18.915 -8.233 711 HE21 GLN 90 1HE2 GLN 90 8.807 -20.225 -8.063 712 HE22 GLN 90 2HE2 GLN 90 9.060 -21.075 -6.581 713 H GLY 91 H GLY 91 6.593 -16.594 -4.901 714 HA2 GLY 91 2HA GLY 91 8.442 -18.053 -3.176 715 HA3 GLY 91 3HA GLY 91 7.818 -16.532 -2.554 Start of MODEL 7 1 H1 MET 1 H MET 1 -4.430 -2.543 0.380 2 HA MET 1 HA MET 1 -1.900 -3.325 -0.050 3 HB2 MET 1 2HB MET 1 -4.466 -4.857 -0.235 4 HB3 MET 1 3HB MET 1 -2.948 -5.668 -0.594 5 HG2 MET 1 2HG MET 1 -2.105 -5.099 1.616 6 HG3 MET 1 3HG MET 1 -3.607 -4.251 1.977 7 HE1 MET 1 3HE MET 1 -2.229 -7.919 0.934 8 HE2 MET 1 1HE MET 1 -1.631 -7.222 2.441 9 HE3 MET 1 2HE MET 1 -2.703 -8.623 2.481 10 H ALA 2 H ALA 2 -1.164 -2.188 -1.939 11 HA ALA 2 HA ALA 2 -2.043 -3.261 -4.515 12 HB1 ALA 2 1HB ALA 2 -0.510 -1.439 -5.411 13 HB2 ALA 2 2HB ALA 2 -1.961 -0.914 -4.555 14 HB3 ALA 2 3HB ALA 2 -0.395 -0.871 -3.745 15 H ARG 3 H ARG 3 1.177 -2.217 -3.433 16 HA ARG 3 HA ARG 3 2.275 -4.866 -3.803 17 HB2 ARG 3 2HB ARG 3 2.170 -3.253 -6.031 18 HB3 ARG 3 3HB ARG 3 3.780 -2.928 -5.402 19 HG2 ARG 3 2HG ARG 3 3.945 -4.697 -6.986 20 HG3 ARG 3 3HG ARG 3 4.195 -5.382 -5.379 21 HD2 ARG 3 2HD ARG 3 2.175 -6.483 -5.386 22 HD3 ARG 3 3HD ARG 3 1.445 -5.355 -6.527 23 HE ARG 3 HE ARG 3 2.187 -6.673 -8.240 24 HH11 ARG 3 1HH1 ARG 3 3.936 -7.493 -5.344 25 HH12 ARG 3 2HH1 ARG 3 4.731 -8.859 -6.054 26 HH21 ARG 3 1HH2 ARG 3 3.228 -8.468 -9.187 27 HH22 ARG 3 2HH2 ARG 3 4.328 -9.411 -8.241 28 H MET 4 H MET 4 4.937 -4.288 -3.951 29 HA MET 4 HA MET 4 5.492 -2.408 -1.773 30 HB2 MET 4 2HB MET 4 6.684 -5.177 -1.811 31 HB3 MET 4 3HB MET 4 6.769 -3.982 -0.524 32 HG2 MET 4 2HG MET 4 4.146 -4.244 -0.583 33 HG3 MET 4 3HG MET 4 4.558 -5.810 -1.278 34 HE1 MET 4 3HE MET 4 7.206 -6.507 -0.039 35 HE2 MET 4 1HE MET 4 6.931 -7.231 1.546 36 HE3 MET 4 2HE MET 4 5.971 -7.751 0.161 37 H ILE 5 H ILE 5 6.661 -0.982 -2.947 38 HA ILE 5 HA ILE 5 9.161 -1.979 -4.118 39 HB ILE 5 HB ILE 5 8.971 -0.585 -6.055 40 HG12 ILE 5 2HG1 ILE 5 6.285 0.324 -5.987 41 HG13 ILE 5 3HG1 ILE 5 7.028 0.795 -4.462 42 HG21 ILE 5 1HG2 ILE 5 6.427 -2.139 -5.607 43 HG22 ILE 5 2HG2 ILE 5 7.015 -1.586 -7.174 44 HG23 ILE 5 3HG2 ILE 5 7.945 -2.766 -6.250 45 HD11 ILE 5 3HD1 ILE 5 8.039 1.448 -7.219 46 HD12 ILE 5 1HD1 ILE 5 7.262 2.557 -6.089 47 HD13 ILE 5 2HD1 ILE 5 8.845 1.877 -5.710 48 H HIS 6 H HIS 6 10.660 -0.071 -4.629 49 HA HIS 6 HA HIS 6 10.568 1.772 -2.342 50 HB2 HIS 6 2HB HIS 6 13.042 2.061 -2.868 51 HB3 HIS 6 3HB HIS 6 12.556 0.482 -2.257 52 HD1 HIS 6 HD1 HIS 6 12.488 -1.483 -4.015 53 HD2 HIS 6 HD2 HIS 6 14.165 2.062 -5.387 54 HE1 HIS 6 HE1 HIS 6 13.718 -2.093 -6.122 55 H CYS 7 H CYS 7 9.396 3.481 -3.104 56 HA CYS 7 HA CYS 7 9.264 4.583 -5.582 57 HB2 CYS 7 2HB CYS 7 9.048 6.842 -4.282 58 HB3 CYS 7 3HB CYS 7 7.845 5.580 -4.044 59 HG CYS 7 HG CYS 7 8.089 6.292 -1.516 60 H ALA 8 H ALA 8 10.945 4.893 -6.906 61 HA ALA 8 HA ALA 8 13.516 5.755 -5.987 62 HB1 ALA 8 1HB ALA 8 14.234 5.046 -7.977 63 HB2 ALA 8 2HB ALA 8 12.595 4.440 -8.219 64 HB3 ALA 8 3HB ALA 8 13.052 6.024 -8.848 65 H LYS 9 H LYS 9 10.649 7.364 -6.755 66 HA LYS 9 HA LYS 9 11.898 9.803 -7.696 67 HB2 LYS 9 2HB LYS 9 9.557 8.856 -8.333 68 HB3 LYS 9 3HB LYS 9 9.034 9.589 -6.821 69 HG2 LYS 9 2HG LYS 9 8.571 11.208 -8.419 70 HG3 LYS 9 3HG LYS 9 10.101 11.739 -7.718 71 HD2 LYS 9 2HD LYS 9 11.329 11.051 -9.589 72 HD3 LYS 9 3HD LYS 9 10.022 10.020 -10.178 73 HE2 LYS 9 2HE LYS 9 9.968 11.879 -11.593 74 HE3 LYS 9 3HE LYS 9 8.681 12.187 -10.428 75 HZ1 LYS 9 3HZ LYS 9 11.193 13.233 -9.560 76 HZ2 LYS 9 1HZ LYS 9 9.701 14.013 -9.720 77 HZ3 LYS 9 2HZ LYS 9 10.731 13.878 -11.054 78 H LEU 10 H LEU 10 11.864 8.425 -4.794 79 HA LEU 10 HA LEU 10 12.037 10.991 -3.422 80 HB2 LEU 10 2HB LEU 10 10.514 8.767 -2.121 81 HB3 LEU 10 3HB LEU 10 10.552 10.478 -1.700 82 HG LEU 10 HG LEU 10 9.316 9.522 -4.264 83 HD11 LEU 10 1HD1 LEU 10 7.418 8.852 -3.280 84 HD12 LEU 10 2HD1 LEU 10 7.500 10.103 -2.040 85 HD13 LEU 10 3HD1 LEU 10 8.433 8.618 -1.856 86 HD21 LEU 10 3HD2 LEU 10 8.332 11.612 -4.357 87 HD22 LEU 10 1HD2 LEU 10 9.917 11.978 -3.674 88 HD23 LEU 10 2HD2 LEU 10 8.503 11.886 -2.623 89 H GLY 11 H GLY 11 12.304 7.459 -3.075 90 HA2 GLY 11 2HA GLY 11 14.492 6.503 -2.621 91 HA3 GLY 11 3HA GLY 11 14.835 7.910 -1.626 92 H LYS 12 H LYS 12 11.747 6.299 -1.502 93 HA LYS 12 HA LYS 12 12.496 5.089 1.075 94 HB2 LYS 12 2HB LYS 12 9.778 6.280 0.594 95 HB3 LYS 12 3HB LYS 12 10.534 5.853 2.123 96 HG2 LYS 12 2HG LYS 12 11.237 7.934 2.356 97 HG3 LYS 12 3HG LYS 12 12.172 7.791 0.866 98 HD2 LYS 12 2HD LYS 12 10.792 9.589 0.402 99 HD3 LYS 12 3HD LYS 12 9.890 8.242 -0.298 100 HE2 LYS 12 2HE LYS 12 8.160 8.959 0.916 101 HE3 LYS 12 3HE LYS 12 9.012 8.304 2.313 102 HZ1 LYS 12 3HZ LYS 12 9.409 10.335 3.093 103 HZ2 LYS 12 1HZ LYS 12 8.268 10.895 1.976 104 HZ3 LYS 12 2HZ LYS 12 9.914 10.926 1.590 105 H GLU 13 H GLU 13 10.005 3.959 1.646 106 HA GLU 13 HA GLU 13 9.788 1.970 -0.515 107 HB2 GLU 13 2HB GLU 13 9.766 1.749 2.452 108 HB3 GLU 13 3HB GLU 13 8.736 0.645 1.551 109 HG2 GLU 13 2HG GLU 13 10.825 0.102 0.183 110 HG3 GLU 13 3HG GLU 13 11.718 0.906 1.473 111 H ALA 14 H ALA 14 8.049 2.415 -1.709 112 HA ALA 14 HA ALA 14 5.533 3.051 -0.308 113 HB1 ALA 14 1HB ALA 14 4.899 4.160 -2.525 114 HB2 ALA 14 2HB ALA 14 6.055 4.999 -1.490 115 HB3 ALA 14 3HB ALA 14 6.623 4.102 -2.898 116 H GLU 15 H GLU 15 3.673 2.700 -2.150 117 HA GLU 15 HA GLU 15 3.724 -0.163 -2.594 118 HB2 GLU 15 2HB GLU 15 1.533 1.843 -3.159 119 HB3 GLU 15 3HB GLU 15 1.366 0.093 -3.188 120 HG2 GLU 15 2HG GLU 15 2.276 0.363 -0.705 121 HG3 GLU 15 3HG GLU 15 1.529 1.948 -0.892 122 H GLY 16 H GLY 16 3.473 -1.191 -4.586 123 HA2 GLY 16 2HA GLY 16 4.492 0.357 -6.845 124 HA3 GLY 16 3HA GLY 16 4.399 -1.395 -6.743 125 H LEU 17 H LEU 17 3.552 0.280 -8.932 126 HA LEU 17 HA LEU 17 0.796 0.724 -9.006 127 HB2 LEU 17 2HB LEU 17 2.492 -0.129 -11.342 128 HB3 LEU 17 3HB LEU 17 1.003 0.814 -11.385 129 HG LEU 17 HG LEU 17 3.603 1.771 -10.190 130 HD11 LEU 17 1HD1 LEU 17 3.633 1.385 -12.678 131 HD12 LEU 17 2HD1 LEU 17 3.956 3.039 -12.157 132 HD13 LEU 17 3HD1 LEU 17 2.372 2.612 -12.803 133 HD21 LEU 17 3HD2 LEU 17 2.376 3.998 -10.483 134 HD22 LEU 17 1HD2 LEU 17 1.874 2.955 -9.152 135 HD23 LEU 17 2HD2 LEU 17 0.911 3.025 -10.628 136 H ASP 18 H ASP 18 2.680 -2.177 -9.673 137 HA ASP 18 HA ASP 18 2.092 -4.364 -9.888 138 HB2 ASP 18 2HB ASP 18 0.820 -3.838 -7.781 139 HB3 ASP 18 3HB ASP 18 -0.599 -3.543 -8.782 140 H PHE 19 H PHE 19 1.877 -2.812 -12.158 141 HA PHE 19 HA PHE 19 0.108 -4.399 -13.741 142 HB2 PHE 19 2HB PHE 19 -1.281 -2.439 -12.658 143 HB3 PHE 19 3HB PHE 19 -0.523 -1.481 -13.925 144 HD1 PHE 19 HD2 PHE 19 -2.376 -4.685 -13.484 145 HD2 PHE 19 HD1 PHE 19 -1.583 -1.312 -15.956 146 HE1 PHE 19 HE2 PHE 19 -4.079 -5.460 -15.082 147 HE2 PHE 19 HE1 PHE 19 -3.285 -2.081 -17.557 148 HZ PHE 19 HZ PHE 19 -4.535 -4.158 -17.122 149 HA PRO 20 HA PRO 20 3.707 -3.194 -16.168 150 HB2 PRO 20 2HB PRO 20 3.443 -5.210 -17.967 151 HB3 PRO 20 3HB PRO 20 4.175 -5.434 -16.374 152 HG2 PRO 20 2HG PRO 20 1.395 -6.065 -17.286 153 HG3 PRO 20 3HG PRO 20 2.484 -7.027 -16.270 154 HD2 PRO 20 2HD PRO 20 0.472 -5.534 -15.242 155 HD3 PRO 20 3HD PRO 20 1.997 -5.808 -14.375 156 HA PRO 21 HA PRO 21 1.061 -0.903 -19.021 157 HB2 PRO 21 2HB PRO 21 2.976 0.896 -19.704 158 HB3 PRO 21 3HB PRO 21 2.039 1.012 -18.210 159 HG2 PRO 21 2HG PRO 21 4.801 -0.062 -18.635 160 HG3 PRO 21 3HG PRO 21 4.194 0.981 -17.336 161 HD2 PRO 21 2HD PRO 21 4.551 -1.684 -17.018 162 HD3 PRO 21 3HD PRO 21 3.270 -0.785 -16.179 163 H LEU 22 H LEU 22 3.948 -2.672 -19.532 164 HA LEU 22 HA LEU 22 3.257 -3.146 -22.283 165 HB2 LEU 22 2HB LEU 22 5.652 -1.526 -21.524 166 HB3 LEU 22 3HB LEU 22 5.700 -2.558 -22.951 167 HG LEU 22 HG LEU 22 3.384 -1.129 -23.322 168 HD11 LEU 22 1HD1 LEU 22 3.443 0.870 -22.355 169 HD12 LEU 22 2HD1 LEU 22 5.124 1.123 -22.826 170 HD13 LEU 22 3HD1 LEU 22 4.747 0.256 -21.337 171 HD21 LEU 22 3HD2 LEU 22 6.190 -0.865 -24.318 172 HD22 LEU 22 1HD2 LEU 22 4.949 0.269 -24.852 173 HD23 LEU 22 2HD2 LEU 22 4.754 -1.458 -25.153 174 HA PRO 23 HA PRO 23 5.134 -7.027 -21.459 175 HB2 PRO 23 2HB PRO 23 6.012 -7.743 -23.926 176 HB3 PRO 23 3HB PRO 23 4.301 -7.733 -23.481 177 HG2 PRO 23 2HG PRO 23 5.877 -5.686 -24.993 178 HG3 PRO 23 3HG PRO 23 4.250 -6.310 -25.320 179 HD2 PRO 23 2HD PRO 23 4.679 -3.929 -24.104 180 HD3 PRO 23 3HD PRO 23 3.273 -4.949 -23.737 181 H GLY 24 H GLY 24 7.063 -4.643 -23.196 182 HA2 GLY 24 2HA GLY 24 9.554 -5.882 -23.133 183 HA3 GLY 24 3HA GLY 24 9.301 -4.143 -23.104 184 H GLU 25 H GLU 25 11.448 -4.993 -21.803 185 HA GLU 25 HA GLU 25 10.974 -5.688 -19.077 186 HB2 GLU 25 2HB GLU 25 13.403 -4.659 -20.540 187 HB3 GLU 25 3HB GLU 25 13.414 -5.013 -18.818 188 HG2 GLU 25 2HG GLU 25 12.814 -7.332 -19.288 189 HG3 GLU 25 3HG GLU 25 12.805 -6.978 -21.014 190 H LEU 26 H LEU 26 11.243 -2.700 -20.844 191 HA LEU 26 HA LEU 26 11.846 -0.907 -18.816 192 HB2 LEU 26 2HB LEU 26 11.237 -0.703 -21.450 193 HB3 LEU 26 3HB LEU 26 9.787 -0.017 -20.719 194 HG LEU 26 HG LEU 26 12.622 0.972 -20.474 195 HD11 LEU 26 1HD1 LEU 26 11.963 2.097 -22.289 196 HD12 LEU 26 2HD1 LEU 26 11.002 3.059 -21.167 197 HD13 LEU 26 3HD1 LEU 26 10.261 1.711 -22.029 198 HD21 LEU 26 3HD2 LEU 26 11.831 1.296 -18.311 199 HD22 LEU 26 1HD2 LEU 26 10.183 1.613 -18.855 200 HD23 LEU 26 2HD2 LEU 26 11.445 2.818 -19.115 201 H GLY 27 H GLY 27 8.574 -1.720 -20.003 202 HA2 GLY 27 2HA GLY 27 7.101 -0.355 -18.109 203 HA3 GLY 27 3HA GLY 27 6.563 -1.832 -18.896 204 H LYS 28 H LYS 28 8.279 -3.705 -17.898 205 HA LYS 28 HA LYS 28 7.149 -4.355 -15.438 206 HB2 LYS 28 2HB LYS 28 8.214 -5.993 -16.937 207 HB3 LYS 28 3HB LYS 28 9.788 -5.296 -16.577 208 HG2 LYS 28 2HG LYS 28 9.363 -5.880 -14.162 209 HG3 LYS 28 3HG LYS 28 7.969 -6.806 -14.724 210 HD2 LYS 28 2HD LYS 28 9.620 -8.422 -14.651 211 HD3 LYS 28 3HD LYS 28 9.691 -7.906 -16.337 212 HE2 LYS 28 2HE LYS 28 11.680 -6.787 -16.050 213 HE3 LYS 28 3HE LYS 28 11.405 -6.523 -14.328 214 HZ1 LYS 28 3HZ LYS 28 12.397 -8.937 -15.694 215 HZ2 LYS 28 1HZ LYS 28 11.639 -9.069 -14.187 216 HZ3 LYS 28 2HZ LYS 28 13.037 -8.132 -14.350 217 H ARG 29 H ARG 29 9.860 -2.340 -16.193 218 HA ARG 29 HA ARG 29 10.828 -2.338 -13.447 219 HB2 ARG 29 2HB ARG 29 11.782 -0.929 -15.942 220 HB3 ARG 29 3HB ARG 29 12.518 -0.711 -14.360 221 HG2 ARG 29 2HG ARG 29 13.119 -3.055 -14.282 222 HG3 ARG 29 3HG ARG 29 12.306 -3.334 -15.823 223 HD2 ARG 29 2HD ARG 29 14.331 -1.193 -15.809 224 HD3 ARG 29 3HD ARG 29 14.946 -2.829 -15.574 225 HE ARG 29 HE ARG 29 13.132 -2.643 -17.776 226 HH11 ARG 29 1HH1 ARG 29 16.428 -2.128 -16.782 227 HH12 ARG 29 2HH1 ARG 29 17.076 -2.319 -18.377 228 HH21 ARG 29 1HH2 ARG 29 13.973 -2.896 -19.881 229 HH22 ARG 29 2HH2 ARG 29 15.678 -2.755 -20.140 230 H LEU 30 H LEU 30 8.694 -0.570 -15.449 231 HA LEU 30 HA LEU 30 8.894 1.947 -14.112 232 HB2 LEU 30 2HB LEU 30 7.016 0.719 -16.076 233 HB3 LEU 30 3HB LEU 30 6.531 2.185 -15.227 234 HG LEU 30 HG LEU 30 8.964 1.889 -16.988 235 HD11 LEU 30 1HD1 LEU 30 6.481 3.508 -17.494 236 HD12 LEU 30 2HD1 LEU 30 6.713 1.876 -18.119 237 HD13 LEU 30 3HD1 LEU 30 7.808 3.169 -18.606 238 HD21 LEU 30 3HD2 LEU 30 8.407 4.572 -16.611 239 HD22 LEU 30 1HD2 LEU 30 9.720 3.659 -15.868 240 HD23 LEU 30 2HD2 LEU 30 8.194 3.864 -15.009 241 H TYR 31 H TYR 31 6.769 -0.863 -13.840 242 HA TYR 31 HA TYR 31 5.136 0.347 -11.804 243 HB2 TYR 31 2HB TYR 31 3.790 -1.498 -11.988 244 HB3 TYR 31 3HB TYR 31 4.603 -1.591 -13.546 245 HD1 TYR 31 HD1 TYR 31 4.327 -3.070 -10.203 246 HD2 TYR 31 HD2 TYR 31 6.234 -3.325 -13.998 247 HE1 TYR 31 HE1 TYR 31 5.111 -5.335 -9.650 248 HE2 TYR 31 HE2 TYR 31 7.021 -5.591 -13.456 249 HH TYR 31 HH TYR 31 7.347 -7.061 -11.719 250 H GLU 32 H GLU 32 8.092 -1.371 -11.897 251 HA GLU 32 HA GLU 32 7.915 -2.185 -9.100 252 HB2 GLU 32 2HB GLU 32 9.643 -3.628 -9.504 253 HB3 GLU 32 3HB GLU 32 8.996 -3.501 -11.133 254 HG2 GLU 32 2HG GLU 32 10.680 -1.712 -11.577 255 HG3 GLU 32 3HG GLU 32 11.391 -2.078 -10.006 256 H SER 33 H SER 33 8.732 0.539 -10.784 257 HA SER 33 HA SER 33 10.636 1.396 -8.703 258 HB2 SER 33 2HB SER 33 11.861 1.436 -10.720 259 HB3 SER 33 3HB SER 33 10.497 2.079 -11.635 260 HG SER 33 HG SER 33 11.578 3.879 -11.299 261 H VAL 34 H VAL 34 7.936 2.359 -10.765 262 HA VAL 34 HA VAL 34 7.617 4.920 -9.510 263 HB VAL 34 HB VAL 34 5.737 3.388 -11.313 264 HG11 VAL 34 1HG1 VAL 34 5.670 6.251 -10.368 265 HG12 VAL 34 2HG1 VAL 34 4.661 5.595 -11.659 266 HG13 VAL 34 3HG1 VAL 34 4.493 4.987 -10.012 267 HG21 VAL 34 3HG2 VAL 34 6.914 5.740 -12.463 268 HG22 VAL 34 1HG2 VAL 34 8.175 4.656 -11.876 269 HG23 VAL 34 2HG2 VAL 34 6.974 4.071 -13.029 270 H SER 35 H SER 35 6.257 5.514 -7.899 271 HA SER 35 HA SER 35 4.785 3.347 -6.554 272 HB2 SER 35 2HB SER 35 4.955 4.824 -4.517 273 HB3 SER 35 3HB SER 35 6.499 4.218 -5.115 274 HG SER 35 HG SER 35 6.002 6.663 -4.622 275 H LYS 36 H LYS 36 2.843 4.104 -5.304 276 HA LYS 36 HA LYS 36 0.958 5.241 -7.026 277 HB2 LYS 36 2HB LYS 36 0.477 3.742 -5.071 278 HB3 LYS 36 3HB LYS 36 0.771 5.115 -4.013 279 HG2 LYS 36 2HG LYS 36 -1.570 4.934 -4.274 280 HG3 LYS 36 3HG LYS 36 -1.058 6.324 -5.235 281 HD2 LYS 36 2HD LYS 36 -2.449 5.273 -6.727 282 HD3 LYS 36 3HD LYS 36 -0.905 4.530 -7.152 283 HE2 LYS 36 2HE LYS 36 -1.423 2.566 -5.904 284 HE3 LYS 36 3HE LYS 36 -2.845 3.324 -5.189 285 HZ1 LYS 36 3HZ LYS 36 -3.509 3.541 -7.709 286 HZ2 LYS 36 1HZ LYS 36 -3.822 2.127 -6.834 287 HZ3 LYS 36 2HZ LYS 36 -2.484 2.204 -7.866 288 H GLN 37 H GLN 37 3.233 6.713 -4.914 289 HA GLN 37 HA GLN 37 1.819 9.243 -4.786 290 HB2 GLN 37 2HB GLN 37 3.061 8.639 -2.829 291 HB3 GLN 37 3HB GLN 37 4.516 8.346 -3.771 292 HG2 GLN 37 2HG GLN 37 4.745 10.420 -2.605 293 HG3 GLN 37 3HG GLN 37 4.594 10.749 -4.330 294 HE21 GLN 37 1HE2 GLN 37 4.161 12.848 -2.894 295 HE22 GLN 37 2HE2 GLN 37 2.482 13.213 -2.713 296 H ALA 38 H ALA 38 4.970 8.147 -6.052 297 HA ALA 38 HA ALA 38 5.559 10.518 -7.443 298 HB1 ALA 38 1HB ALA 38 7.310 9.290 -8.513 299 HB2 ALA 38 2HB ALA 38 7.199 8.739 -6.841 300 HB3 ALA 38 3HB ALA 38 6.529 7.753 -8.141 301 H TRP 39 H TRP 39 3.339 8.025 -8.119 302 HA TRP 39 HA TRP 39 3.288 7.867 -10.873 303 HB2 TRP 39 2HB TRP 39 1.873 6.450 -9.523 304 HB3 TRP 39 3HB TRP 39 0.982 7.844 -8.918 305 HD1 TRP 39 HD1 TRP 39 -1.058 8.653 -10.310 306 HE1 TRP 39 HE1 TRP 39 -2.161 7.878 -12.503 307 HE3 TRP 39 HE3 TRP 39 2.531 5.384 -11.914 308 HZ2 TRP 39 HZ2 TRP 39 -1.586 6.114 -14.631 309 HZ3 TRP 39 HZ3 TRP 39 2.177 4.193 -14.037 310 HH2 TRP 39 HH2 TRP 39 0.161 4.552 -15.366 311 H GLN 40 H GLN 40 2.093 10.417 -8.784 312 HA GLN 40 HA GLN 40 0.567 11.808 -10.705 313 HB2 GLN 40 2HB GLN 40 1.869 12.597 -8.116 314 HB3 GLN 40 3HB GLN 40 1.076 13.800 -9.125 315 HG2 GLN 40 2HG GLN 40 -0.268 11.310 -8.107 316 HG3 GLN 40 3HG GLN 40 -0.335 12.875 -7.298 317 HE21 GLN 40 1HE2 GLN 40 -0.883 14.694 -8.996 318 HE22 GLN 40 2HE2 GLN 40 -2.288 14.365 -9.946 319 H ASP 41 H ASP 41 3.952 12.091 -9.702 320 HA ASP 41 HA ASP 41 4.634 14.336 -11.219 321 HB2 ASP 41 2HB ASP 41 5.982 12.948 -9.430 322 HB3 ASP 41 3HB ASP 41 6.606 12.116 -10.852 323 H TRP 42 H TRP 42 4.446 10.934 -12.091 324 HA TRP 42 HA TRP 42 5.686 11.180 -14.629 325 HB2 TRP 42 2HB TRP 42 5.371 9.033 -13.366 326 HB3 TRP 42 3HB TRP 42 3.660 9.104 -13.778 327 HD1 TRP 42 HD1 TRP 42 6.949 9.357 -15.851 328 HE1 TRP 42 HE1 TRP 42 6.665 7.890 -17.947 329 HE3 TRP 42 HE3 TRP 42 2.207 7.642 -15.005 330 HZ2 TRP 42 HZ2 TRP 42 4.692 6.226 -19.090 331 HZ3 TRP 42 HZ3 TRP 42 1.194 6.116 -16.649 332 HH2 TRP 42 HH2 TRP 42 2.412 5.425 -18.648 333 H LEU 43 H LEU 43 2.452 11.726 -13.469 334 HA LEU 43 HA LEU 43 1.162 11.675 -16.008 335 HB2 LEU 43 2HB LEU 43 0.401 12.829 -13.338 336 HB3 LEU 43 3HB LEU 43 -0.636 12.958 -14.757 337 HG LEU 43 HG LEU 43 0.290 10.277 -13.796 338 HD11 LEU 43 1HD1 LEU 43 -0.906 10.371 -11.935 339 HD12 LEU 43 2HD1 LEU 43 -2.336 10.847 -12.851 340 HD13 LEU 43 3HD1 LEU 43 -1.230 12.077 -12.240 341 HD21 LEU 43 3HD2 LEU 43 -0.955 10.848 -16.022 342 HD22 LEU 43 1HD2 LEU 43 -2.371 10.935 -14.973 343 HD23 LEU 43 2HD2 LEU 43 -1.435 9.443 -15.069 344 H LYS 44 H LYS 44 3.005 14.028 -14.275 345 HA LYS 44 HA LYS 44 2.020 16.343 -15.609 346 HB2 LYS 44 2HB LYS 44 3.109 16.694 -13.532 347 HB3 LYS 44 3HB LYS 44 4.522 15.772 -14.030 348 HG2 LYS 44 2HG LYS 44 5.013 18.141 -13.999 349 HG3 LYS 44 3HG LYS 44 5.090 17.516 -15.648 350 HD2 LYS 44 2HD LYS 44 3.937 19.589 -15.756 351 HD3 LYS 44 3HD LYS 44 2.720 18.323 -15.943 352 HE2 LYS 44 2HE LYS 44 1.910 18.628 -13.765 353 HE3 LYS 44 3HE LYS 44 3.344 19.521 -13.262 354 HZ1 LYS 44 3HZ LYS 44 1.311 20.485 -15.201 355 HZ2 LYS 44 1HZ LYS 44 2.677 21.343 -14.691 356 HZ3 LYS 44 2HZ LYS 44 1.445 20.983 -13.590 357 H GLN 45 H GLN 45 5.090 14.555 -15.954 358 HA GLN 45 HA GLN 45 5.941 15.929 -18.257 359 HB2 GLN 45 2HB GLN 45 7.511 14.018 -18.547 360 HB3 GLN 45 3HB GLN 45 7.531 14.704 -16.928 361 HG2 GLN 45 2HG GLN 45 7.383 12.584 -16.255 362 HG3 GLN 45 3HG GLN 45 5.673 12.748 -16.650 363 HE21 GLN 45 1HE2 GLN 45 8.719 12.120 -18.366 364 HE22 GLN 45 2HE2 GLN 45 8.114 10.804 -19.307 365 H GLN 46 H GLN 46 3.901 13.121 -17.807 366 HA GLN 46 HA GLN 46 3.919 11.992 -20.321 367 HB2 GLN 46 2HB GLN 46 2.184 11.956 -18.019 368 HB3 GLN 46 3HB GLN 46 1.230 11.948 -19.496 369 HG2 GLN 46 2HG GLN 46 2.459 10.001 -20.290 370 HG3 GLN 46 3HG GLN 46 3.437 10.014 -18.824 371 HE21 GLN 46 1HE2 GLN 46 1.520 8.040 -20.003 372 HE22 GLN 46 2HE2 GLN 46 0.420 7.680 -18.721 373 H THR 47 H THR 47 2.214 14.862 -19.205 374 HA THR 47 HA THR 47 0.939 15.227 -21.796 375 HB THR 47 HB THR 47 0.814 16.926 -19.296 376 HG1 THR 47 HG1 THR 47 -1.297 15.388 -20.378 377 HG21 THR 47 3HG2 THR 47 -0.544 17.153 -21.968 378 HG22 THR 47 1HG2 THR 47 0.336 18.390 -21.073 379 HG23 THR 47 2HG2 THR 47 -1.245 17.849 -20.508 380 H MET 48 H MET 48 3.559 16.551 -19.886 381 HA MET 48 HA MET 48 3.998 18.908 -21.357 382 HB2 MET 48 2HB MET 48 5.960 17.213 -19.802 383 HB3 MET 48 3HB MET 48 6.276 18.844 -20.378 384 HG2 MET 48 2HG MET 48 3.879 18.412 -18.687 385 HG3 MET 48 3HG MET 48 5.462 18.350 -17.916 386 HE1 MET 48 3HE MET 48 3.103 21.899 -18.095 387 HE2 MET 48 1HE MET 48 2.730 20.883 -19.488 388 HE3 MET 48 2HE MET 48 2.756 20.184 -17.869 389 H LEU 49 H LEU 49 5.349 15.645 -21.693 390 HA LEU 49 HA LEU 49 7.094 16.259 -23.829 391 HB2 LEU 49 2HB LEU 49 5.953 13.767 -22.666 392 HB3 LEU 49 3HB LEU 49 6.738 13.680 -24.242 393 HG LEU 49 HG LEU 49 8.176 13.075 -22.273 394 HD11 LEU 49 1HD1 LEU 49 8.988 13.877 -24.532 395 HD12 LEU 49 2HD1 LEU 49 10.114 14.053 -23.188 396 HD13 LEU 49 3HD1 LEU 49 9.224 15.455 -23.780 397 HD21 LEU 49 3HD2 LEU 49 7.374 14.741 -20.699 398 HD22 LEU 49 1HD2 LEU 49 7.973 16.037 -21.735 399 HD23 LEU 49 2HD2 LEU 49 9.109 14.931 -20.961 400 H ILE 50 H ILE 50 3.766 15.073 -23.719 401 HA ILE 50 HA ILE 50 3.508 14.694 -26.524 402 HB ILE 50 HB ILE 50 1.371 15.121 -24.432 403 HG12 ILE 50 2HG1 ILE 50 2.308 12.551 -25.717 404 HG13 ILE 50 3HG1 ILE 50 2.879 13.123 -24.153 405 HG21 ILE 50 1HG2 ILE 50 -0.152 14.113 -26.080 406 HG22 ILE 50 2HG2 ILE 50 0.522 15.642 -26.641 407 HG23 ILE 50 3HG2 ILE 50 1.152 14.119 -27.268 408 HD11 ILE 50 3HD1 ILE 50 0.145 13.215 -23.893 409 HD12 ILE 50 1HD1 ILE 50 0.417 11.763 -24.857 410 HD13 ILE 50 2HD1 ILE 50 1.208 11.943 -23.291 411 H ASN 51 H ASN 51 2.868 17.389 -24.350 412 HA ASN 51 HA ASN 51 1.595 19.004 -26.346 413 HB2 ASN 51 2HB ASN 51 2.595 19.487 -23.556 414 HB3 ASN 51 3HB ASN 51 2.110 20.842 -24.570 415 HD21 ASN 51 1HD2 ASN 51 0.765 17.584 -24.306 416 HD22 ASN 51 2HD2 ASN 51 -0.816 18.087 -23.824 417 H GLU 52 H GLU 52 4.858 18.593 -25.143 418 HA GLU 52 HA GLU 52 5.895 20.906 -26.503 419 HB2 GLU 52 2HB GLU 52 7.129 18.623 -24.990 420 HB3 GLU 52 3HB GLU 52 8.131 19.730 -25.918 421 HG2 GLU 52 2HG GLU 52 6.175 20.828 -23.959 422 HG3 GLU 52 3HG GLU 52 7.690 20.138 -23.381 423 H ASN 53 H ASN 53 6.269 17.387 -26.941 424 HA ASN 53 HA ASN 53 7.585 17.695 -29.468 425 HB2 ASN 53 2HB ASN 53 6.418 15.260 -28.103 426 HB3 ASN 53 3HB ASN 53 7.357 15.211 -29.592 427 HD21 ASN 53 1HD2 ASN 53 7.464 15.131 -26.244 428 HD22 ASN 53 2HD2 ASN 53 9.172 15.298 -26.037 429 H ARG 54 H ARG 54 4.334 17.615 -28.430 430 HA ARG 54 HA ARG 54 2.350 17.721 -29.538 431 HB2 ARG 54 2HB ARG 54 3.832 19.324 -30.952 432 HB3 ARG 54 3HB ARG 54 3.819 18.025 -32.137 433 HG2 ARG 54 2HG ARG 54 2.083 19.443 -32.785 434 HG3 ARG 54 3HG ARG 54 1.280 18.108 -31.955 435 HD2 ARG 54 2HD ARG 54 1.426 19.582 -29.862 436 HD3 ARG 54 3HD ARG 54 1.785 20.900 -30.977 437 HE ARG 54 HE ARG 54 -0.546 19.523 -31.796 438 HH11 ARG 54 1HH1 ARG 54 0.611 21.758 -29.391 439 HH12 ARG 54 2HH1 ARG 54 -0.934 22.503 -29.152 440 HH21 ARG 54 1HH2 ARG 54 -2.586 20.495 -31.490 441 HH22 ARG 54 2HH2 ARG 54 -2.753 21.783 -30.345 442 H LEU 55 H LEU 55 2.791 15.271 -28.936 443 HA LEU 55 HA LEU 55 2.759 13.613 -31.350 444 HB2 LEU 55 2HB LEU 55 2.742 12.646 -28.505 445 HB3 LEU 55 3HB LEU 55 3.194 11.754 -29.956 446 HG LEU 55 HG LEU 55 4.781 14.110 -28.971 447 HD11 LEU 55 1HD1 LEU 55 6.153 12.723 -27.684 448 HD12 LEU 55 2HD1 LEU 55 5.456 11.251 -28.362 449 HD13 LEU 55 3HD1 LEU 55 4.512 12.242 -27.249 450 HD21 LEU 55 3HD2 LEU 55 5.202 11.884 -30.932 451 HD22 LEU 55 1HD2 LEU 55 6.570 12.723 -30.200 452 HD23 LEU 55 2HD2 LEU 55 5.396 13.623 -31.160 453 H ASN 56 H ASN 56 1.231 11.638 -31.132 454 HA ASN 56 HA ASN 56 -1.445 12.713 -30.731 455 HB2 ASN 56 2HB ASN 56 -0.490 11.247 -32.748 456 HB3 ASN 56 3HB ASN 56 -1.018 9.931 -31.704 457 HD21 ASN 56 1HD2 ASN 56 -3.278 10.741 -30.609 458 HD22 ASN 56 2HD2 ASN 56 -4.472 11.106 -31.802 459 H MET 57 H MET 57 -1.387 12.734 -28.415 460 HA MET 57 HA MET 57 -0.826 10.656 -26.712 461 HB2 MET 57 2HB MET 57 -2.832 11.702 -25.345 462 HB3 MET 57 3HB MET 57 -1.323 12.578 -25.564 463 HG2 MET 57 2HG MET 57 -2.269 14.156 -26.849 464 HG3 MET 57 3HG MET 57 -3.338 13.010 -27.655 465 HE1 MET 57 3HE MET 57 -5.375 13.311 -27.732 466 HE2 MET 57 1HE MET 57 -6.548 13.503 -26.429 467 HE3 MET 57 2HE MET 57 -5.842 14.926 -27.195 468 H ALA 58 H ALA 58 -3.957 11.345 -28.259 469 HA ALA 58 HA ALA 58 -5.481 9.317 -27.205 470 HB1 ALA 58 1HB ALA 58 -6.979 9.666 -28.931 471 HB2 ALA 58 2HB ALA 58 -6.084 11.185 -28.900 472 HB3 ALA 58 3HB ALA 58 -5.706 9.964 -30.115 473 H ASP 59 H ASP 59 -3.004 9.118 -29.669 474 HA ASP 59 HA ASP 59 -3.601 6.296 -30.146 475 HB2 ASP 59 2HB ASP 59 -1.484 8.010 -31.457 476 HB3 ASP 59 3HB ASP 59 -2.055 6.432 -31.993 477 HA PRO 60 HA PRO 60 -0.427 4.752 -27.540 478 HB2 PRO 60 2HB PRO 60 0.356 2.548 -28.919 479 HB3 PRO 60 3HB PRO 60 -1.188 2.648 -28.064 480 HG2 PRO 60 2HG PRO 60 -0.609 3.022 -30.977 481 HG3 PRO 60 3HG PRO 60 -1.943 2.145 -30.205 482 HD2 PRO 60 2HD PRO 60 -2.233 4.639 -31.217 483 HD3 PRO 60 3HD PRO 60 -3.144 4.071 -29.803 484 H ARG 61 H ARG 61 0.233 5.926 -30.647 485 HA ARG 61 HA ARG 61 2.976 5.282 -30.889 486 HB2 ARG 61 2HB ARG 61 1.374 7.566 -32.051 487 HB3 ARG 61 3HB ARG 61 3.028 7.183 -32.510 488 HG2 ARG 61 2HG ARG 61 2.074 5.979 -34.130 489 HG3 ARG 61 3HG ARG 61 1.805 4.782 -32.860 490 HD2 ARG 61 2HD ARG 61 -0.420 5.219 -32.732 491 HD3 ARG 61 3HD ARG 61 -0.216 6.926 -33.124 492 HE ARG 61 HE ARG 61 -0.569 6.417 -35.321 493 HH11 ARG 61 1HH1 ARG 61 0.256 3.500 -33.610 494 HH12 ARG 61 2HH1 ARG 61 -0.055 2.463 -34.963 495 HH21 ARG 61 1HH2 ARG 61 -0.983 5.063 -37.109 496 HH22 ARG 61 2HH2 ARG 61 -0.759 3.354 -36.953 497 H ALA 62 H ALA 62 1.251 7.931 -29.346 498 HA ALA 62 HA ALA 62 3.652 9.402 -28.735 499 HB1 ALA 62 1HB ALA 62 0.793 9.743 -27.849 500 HB2 ALA 62 2HB ALA 62 2.107 10.826 -27.386 501 HB3 ALA 62 3HB ALA 62 1.654 10.665 -29.082 502 H ARG 63 H ARG 63 1.879 6.839 -27.306 503 HA ARG 63 HA ARG 63 2.844 7.314 -24.620 504 HB2 ARG 63 2HB ARG 63 1.614 4.737 -25.538 505 HB3 ARG 63 3HB ARG 63 1.523 5.506 -23.960 506 HG2 ARG 63 2HG ARG 63 0.111 6.353 -26.478 507 HG3 ARG 63 3HG ARG 63 -0.612 5.671 -25.020 508 HD2 ARG 63 2HD ARG 63 0.838 7.877 -24.135 509 HD3 ARG 63 3HD ARG 63 0.078 8.410 -25.634 510 HE ARG 63 HE ARG 63 -1.938 8.391 -24.562 511 HH11 ARG 63 1HH1 ARG 63 0.321 6.469 -22.739 512 HH12 ARG 63 2HH1 ARG 63 -0.761 6.225 -21.408 513 HH21 ARG 63 1HH2 ARG 63 -3.371 8.077 -22.816 514 HH22 ARG 63 2HH2 ARG 63 -2.861 7.139 -21.453 515 H GLN 64 H GLN 64 3.789 5.512 -27.427 516 HA GLN 64 HA GLN 64 5.572 3.738 -26.040 517 HB2 GLN 64 2HB GLN 64 4.458 3.252 -28.257 518 HB3 GLN 64 3HB GLN 64 5.575 4.399 -28.984 519 HG2 GLN 64 2HG GLN 64 7.416 2.950 -27.922 520 HG3 GLN 64 3HG GLN 64 6.149 1.736 -27.755 521 HE21 GLN 64 1HE2 GLN 64 8.576 1.699 -29.371 522 HE22 GLN 64 2HE2 GLN 64 8.061 1.457 -31.002 523 H TYR 65 H TYR 65 5.725 6.952 -27.206 524 HA TYR 65 HA TYR 65 8.633 6.980 -27.347 525 HB2 TYR 65 2HB TYR 65 7.634 8.290 -29.039 526 HB3 TYR 65 3HB TYR 65 6.498 9.027 -27.915 527 HD1 TYR 65 HD1 TYR 65 7.196 10.852 -26.457 528 HD2 TYR 65 HD2 TYR 65 9.912 9.095 -29.221 529 HE1 TYR 65 HE1 TYR 65 8.718 12.762 -26.166 530 HE2 TYR 65 HE2 TYR 65 11.442 11.000 -28.937 531 HH TYR 65 HH TYR 65 11.221 13.180 -26.441 532 H LEU 66 H LEU 66 6.038 8.004 -25.242 533 HA LEU 66 HA LEU 66 7.383 9.801 -23.600 534 HB2 LEU 66 2HB LEU 66 5.060 7.979 -23.257 535 HB3 LEU 66 3HB LEU 66 5.755 8.715 -21.815 536 HG LEU 66 HG LEU 66 4.823 10.328 -24.180 537 HD11 LEU 66 1HD1 LEU 66 3.289 9.159 -21.916 538 HD12 LEU 66 2HD1 LEU 66 2.807 9.429 -23.590 539 HD13 LEU 66 3HD1 LEU 66 2.882 10.785 -22.466 540 HD21 LEU 66 3HD2 LEU 66 4.593 12.000 -22.201 541 HD22 LEU 66 1HD2 LEU 66 6.181 11.692 -22.905 542 HD23 LEU 66 2HD2 LEU 66 5.723 10.914 -21.390 543 H MET 67 H MET 67 7.462 6.304 -23.679 544 HA MET 67 HA MET 67 8.580 5.765 -21.189 545 HB2 MET 67 2HB MET 67 9.149 3.650 -22.029 546 HB3 MET 67 3HB MET 67 7.751 4.129 -22.982 547 HG2 MET 67 2HG MET 67 9.269 4.853 -24.785 548 HG3 MET 67 3HG MET 67 10.632 4.265 -23.835 549 HE1 MET 67 3HE MET 67 7.134 1.823 -24.173 550 HE2 MET 67 1HE MET 67 7.180 3.445 -24.866 551 HE3 MET 67 2HE MET 67 7.327 2.034 -25.914 552 H LYS 68 H LYS 68 9.997 7.149 -24.035 553 HA LYS 68 HA LYS 68 12.721 6.667 -23.351 554 HB2 LYS 68 2HB LYS 68 11.575 8.812 -25.147 555 HB3 LYS 68 3HB LYS 68 13.246 8.267 -25.113 556 HG2 LYS 68 2HG LYS 68 11.038 6.340 -25.702 557 HG3 LYS 68 3HG LYS 68 11.672 7.400 -26.963 558 HD2 LYS 68 2HD LYS 68 13.095 5.663 -27.276 559 HD3 LYS 68 3HD LYS 68 13.981 6.463 -25.975 560 HE2 LYS 68 2HE LYS 68 12.413 4.969 -24.466 561 HE3 LYS 68 3HE LYS 68 12.344 3.977 -25.922 562 HZ1 LYS 68 3HZ LYS 68 14.252 3.099 -25.245 563 HZ2 LYS 68 1HZ LYS 68 14.455 4.259 -24.030 564 HZ3 LYS 68 2HZ LYS 68 14.998 4.575 -25.600 565 H GLN 69 H GLN 69 10.361 8.950 -22.336 566 HA GLN 69 HA GLN 69 12.334 10.837 -21.331 567 HB2 GLN 69 2HB GLN 69 10.277 11.718 -22.310 568 HB3 GLN 69 3HB GLN 69 9.317 10.827 -21.136 569 HG2 GLN 69 2HG GLN 69 9.361 13.008 -20.324 570 HG3 GLN 69 3HG GLN 69 10.562 12.153 -19.357 571 HE21 GLN 69 1HE2 GLN 69 11.209 14.445 -18.989 572 HE22 GLN 69 2HE2 GLN 69 12.348 15.137 -20.088 573 H THR 70 H THR 70 10.343 8.229 -20.204 574 HA THR 70 HA THR 70 10.781 8.886 -17.404 575 HB THR 70 HB THR 70 9.604 6.266 -18.146 576 HG1 THR 70 HG1 THR 70 8.292 8.753 -18.626 577 HG21 THR 70 3HG2 THR 70 8.718 8.437 -16.243 578 HG22 THR 70 1HG2 THR 70 9.762 7.083 -15.813 579 HG23 THR 70 2HG2 THR 70 8.099 6.788 -16.320 580 H GLU 71 H GLU 71 11.827 6.523 -19.799 581 HA GLU 71 HA GLU 71 13.288 4.901 -17.967 582 HB2 GLU 71 2HB GLU 71 12.439 4.158 -20.215 583 HB3 GLU 71 3HB GLU 71 13.704 5.133 -20.949 584 HG2 GLU 71 2HG GLU 71 15.322 3.764 -19.510 585 HG3 GLU 71 3HG GLU 71 13.969 2.656 -19.291 586 H LYS 72 H LYS 72 14.358 7.205 -20.471 587 HA LYS 72 HA LYS 72 17.072 7.177 -19.817 588 HB2 LYS 72 2HB LYS 72 16.312 8.132 -21.898 589 HB3 LYS 72 3HB LYS 72 15.381 9.357 -21.047 590 HG2 LYS 72 2HG LYS 72 17.386 10.343 -21.923 591 HG3 LYS 72 3HG LYS 72 17.484 10.296 -20.161 592 HD2 LYS 72 2HD LYS 72 18.617 7.911 -20.843 593 HD3 LYS 72 3HD LYS 72 19.123 8.942 -22.184 594 HE2 LYS 72 2HE LYS 72 19.382 10.179 -19.540 595 HE3 LYS 72 3HE LYS 72 20.394 8.755 -19.775 596 HZ1 LYS 72 3HZ LYS 72 20.769 11.361 -20.773 597 HZ2 LYS 72 1HZ LYS 72 20.601 10.297 -22.077 598 HZ3 LYS 72 2HZ LYS 72 21.791 10.020 -20.908 599 H TYR 73 H TYR 73 14.425 8.533 -18.144 600 HA TYR 73 HA TYR 73 15.751 10.665 -16.825 601 HB2 TYR 73 2HB TYR 73 13.326 10.593 -16.934 602 HB3 TYR 73 3HB TYR 73 13.298 9.078 -16.040 603 HD1 TYR 73 HD2 TYR 73 15.302 12.139 -15.357 604 HD2 TYR 73 HD1 TYR 73 12.128 9.606 -14.088 605 HE1 TYR 73 HE2 TYR 73 15.153 13.393 -13.247 606 HE2 TYR 73 HE1 TYR 73 11.969 10.854 -11.974 607 HH TYR 73 HH TYR 73 13.068 12.343 -10.628 608 H PHE 74 H PHE 74 14.531 7.694 -15.291 609 HA PHE 74 HA PHE 74 16.696 7.857 -13.343 610 HB2 PHE 74 2HB PHE 74 14.025 6.565 -13.442 611 HB3 PHE 74 3HB PHE 74 15.265 5.743 -12.501 612 HD1 PHE 74 HD1 PHE 74 16.738 7.690 -11.136 613 HD2 PHE 74 HD2 PHE 74 12.598 7.766 -12.121 614 HE1 PHE 74 HE1 PHE 74 16.321 9.215 -9.251 615 HE2 PHE 74 HE2 PHE 74 12.175 9.292 -10.239 616 HZ PHE 74 HZ PHE 74 14.037 10.019 -8.801 617 H PHE 75 H PHE 75 15.269 5.464 -15.555 618 HA PHE 75 HA PHE 75 17.274 3.504 -15.115 619 HB2 PHE 75 2HB PHE 75 15.468 3.789 -17.524 620 HB3 PHE 75 3HB PHE 75 16.293 2.328 -16.991 621 HD1 PHE 75 HD1 PHE 75 15.733 2.671 -14.021 622 HD2 PHE 75 HD2 PHE 75 13.249 2.987 -17.463 623 HE1 PHE 75 HE1 PHE 75 13.776 2.063 -12.660 624 HE2 PHE 75 HE2 PHE 75 11.287 2.381 -16.107 625 HZ PHE 75 HZ PHE 75 11.549 1.918 -13.702 626 H GLY 76 H GLY 76 17.418 6.446 -16.663 627 HA2 GLY 76 2HA GLY 76 19.580 5.527 -18.455 628 HA3 GLY 76 3HA GLY 76 18.596 6.954 -18.747 629 H GLU 77 H GLU 77 19.217 8.881 -17.920 630 HA GLU 77 HA GLU 77 21.842 9.335 -17.188 631 HB2 GLU 77 2HB GLU 77 21.166 11.564 -16.564 632 HB3 GLU 77 3HB GLU 77 20.253 11.071 -17.983 633 HG2 GLU 77 2HG GLU 77 18.308 10.629 -16.641 634 HG3 GLU 77 3HG GLU 77 19.211 10.955 -15.163 635 H GLY 78 H GLY 78 19.078 8.561 -15.174 636 HA2 GLY 78 2HA GLY 78 20.305 9.194 -12.683 637 HA3 GLY 78 3HA GLY 78 18.879 8.193 -12.911 638 H ALA 79 H ALA 79 20.165 6.280 -14.650 639 HA ALA 79 HA ALA 79 21.003 4.382 -12.823 640 HB1 ALA 79 1HB ALA 79 20.812 4.592 -15.673 641 HB2 ALA 79 2HB ALA 79 22.306 3.764 -15.234 642 HB3 ALA 79 3HB ALA 79 20.757 3.153 -14.654 643 H ASP 80 H ASP 80 23.223 3.267 -12.938 644 HA ASP 80 HA ASP 80 25.377 5.270 -12.976 645 HB2 ASP 80 2HB ASP 80 24.501 4.704 -10.636 646 HB3 ASP 80 3HB ASP 80 25.213 3.111 -10.879 647 H GLN 81 H GLN 81 24.540 3.174 -14.878 648 HA GLN 81 HA GLN 81 26.758 1.273 -14.710 649 HB2 GLN 81 2HB GLN 81 24.280 1.383 -16.422 650 HB3 GLN 81 3HB GLN 81 25.584 0.243 -16.723 651 HG2 GLN 81 2HG GLN 81 25.153 -0.968 -14.820 652 HG3 GLN 81 3HG GLN 81 24.372 0.387 -14.007 653 HE21 GLN 81 1HE2 GLN 81 22.709 -1.167 -13.497 654 HE22 GLN 81 2HE2 GLN 81 21.479 -1.512 -14.661 655 H ALA 82 H ALA 82 28.219 0.971 -16.437 656 HA ALA 82 HA ALA 82 28.532 3.355 -18.138 657 HB1 ALA 82 1HB ALA 82 30.774 1.455 -17.628 658 HB2 ALA 82 2HB ALA 82 30.819 3.186 -17.964 659 HB3 ALA 82 3HB ALA 82 30.313 2.609 -16.376 660 H SER 83 H SER 83 26.778 1.846 -19.281 661 HA SER 83 HA SER 83 28.098 0.822 -21.614 662 HB2 SER 83 2HB SER 83 26.644 -1.066 -19.757 663 HB3 SER 83 3HB SER 83 26.944 -1.435 -21.455 664 HG SER 83 HG SER 83 28.557 -1.909 -19.502 665 H GLY 84 H GLY 84 26.655 0.452 -23.370 666 HA2 GLY 84 2HA GLY 84 23.884 0.487 -23.292 667 HA3 GLY 84 3HA GLY 84 24.389 2.169 -23.354 668 H TYR 85 H TYR 85 24.031 -0.776 -25.106 669 HA TYR 85 HA TYR 85 24.924 0.602 -27.553 670 HB2 TYR 85 2HB TYR 85 25.589 -2.063 -26.505 671 HB3 TYR 85 3HB TYR 85 25.095 -2.056 -28.194 672 HD1 TYR 85 HD1 TYR 85 26.254 -0.150 -29.648 673 HD2 TYR 85 HD2 TYR 85 27.825 -1.751 -26.032 674 HE1 TYR 85 HE1 TYR 85 28.505 0.587 -30.307 675 HE2 TYR 85 HE2 TYR 85 30.081 -1.017 -26.681 676 HH TYR 85 HH TYR 85 31.344 -0.233 -28.380 677 H VAL 86 H VAL 86 23.942 -0.518 -29.558 678 HA VAL 86 HA VAL 86 22.095 -0.965 -30.812 679 HB VAL 86 HB VAL 86 20.953 -2.247 -28.329 680 HG11 VAL 86 1HG1 VAL 86 20.165 -2.108 -31.153 681 HG12 VAL 86 2HG1 VAL 86 20.129 -3.726 -30.450 682 HG13 VAL 86 3HG1 VAL 86 19.193 -2.423 -29.716 683 HG21 VAL 86 3HG2 VAL 86 21.923 -4.323 -29.727 684 HG22 VAL 86 1HG2 VAL 86 23.120 -3.097 -30.147 685 HG23 VAL 86 2HG2 VAL 86 22.832 -3.505 -28.456 686 HA PRO 87 HA PRO 87 19.960 2.677 -28.845 687 HB2 PRO 87 2HB PRO 87 20.243 4.311 -30.995 688 HB3 PRO 87 3HB PRO 87 21.472 4.162 -29.734 689 HG2 PRO 87 2HG PRO 87 21.358 2.867 -32.430 690 HG3 PRO 87 3HG PRO 87 22.740 3.608 -31.603 691 HD2 PRO 87 2HD PRO 87 22.353 0.929 -31.677 692 HD3 PRO 87 3HD PRO 87 23.120 1.746 -30.300 693 HA PRO 88 HA PRO 88 16.083 2.083 -30.833 694 HB2 PRO 88 2HB PRO 88 14.994 4.568 -30.781 695 HB3 PRO 88 3HB PRO 88 15.183 3.572 -29.334 696 HG2 PRO 88 2HG PRO 88 16.900 5.813 -30.329 697 HG3 PRO 88 3HG PRO 88 16.356 5.470 -28.677 698 HD2 PRO 88 2HD PRO 88 18.837 4.836 -29.554 699 HD3 PRO 88 3HD PRO 88 17.977 3.866 -28.341 700 H ALA 89 H ALA 89 14.561 3.269 -32.528 701 HA ALA 89 HA ALA 89 16.068 4.529 -34.674 702 HB1 ALA 89 1HB ALA 89 15.749 1.782 -34.705 703 HB2 ALA 89 2HB ALA 89 14.471 2.371 -35.769 704 HB3 ALA 89 3HB ALA 89 16.151 2.807 -36.084 705 H GLN 90 H GLN 90 14.395 4.686 -36.667 706 HA GLN 90 HA GLN 90 11.885 5.711 -35.512 707 HB2 GLN 90 2HB GLN 90 13.516 7.420 -36.424 708 HB3 GLN 90 3HB GLN 90 13.224 6.732 -38.016 709 HG2 GLN 90 2HG GLN 90 10.886 7.591 -36.397 710 HG3 GLN 90 3HG GLN 90 11.893 8.827 -37.149 711 HE21 GLN 90 1HE2 GLN 90 9.163 7.190 -37.563 712 HE22 GLN 90 2HE2 GLN 90 9.088 7.111 -39.287 713 H GLY 91 H GLY 91 13.150 4.820 -38.733 714 HA2 GLY 91 2HA GLY 91 10.542 3.852 -39.528 715 HA3 GLY 91 3HA GLY 91 11.993 3.883 -40.519 Start of MODEL 8 1 H1 MET 1 H MET 1 -1.514 7.244 -0.929 2 HA MET 1 HA MET 1 0.428 5.619 -1.455 3 HB2 MET 1 2HB MET 1 -0.992 5.693 0.687 4 HB3 MET 1 3HB MET 1 -1.892 4.355 -0.014 5 HG2 MET 1 2HG MET 1 0.049 2.970 -0.042 6 HG3 MET 1 3HG MET 1 1.082 4.321 0.420 7 HE1 MET 1 3HE MET 1 1.946 2.471 1.753 8 HE2 MET 1 1HE MET 1 1.740 2.687 3.491 9 HE3 MET 1 2HE MET 1 0.902 1.375 2.661 10 H ALA 2 H ALA 2 -0.460 5.562 -3.918 11 HA ALA 2 HA ALA 2 -2.101 3.486 -4.772 12 HB1 ALA 2 1HB ALA 2 -0.570 3.614 -6.877 13 HB2 ALA 2 2HB ALA 2 -1.582 4.991 -6.438 14 HB3 ALA 2 3HB ALA 2 0.136 4.999 -6.043 15 H ARG 3 H ARG 3 1.412 3.366 -5.278 16 HA ARG 3 HA ARG 3 1.381 0.574 -4.344 17 HB2 ARG 3 2HB ARG 3 1.687 1.334 -6.976 18 HB3 ARG 3 3HB ARG 3 3.349 1.153 -6.431 19 HG2 ARG 3 2HG ARG 3 2.533 -0.907 -7.408 20 HG3 ARG 3 3HG ARG 3 2.859 -1.122 -5.687 21 HD2 ARG 3 2HD ARG 3 0.124 -0.276 -6.276 22 HD3 ARG 3 3HD ARG 3 0.549 -1.837 -6.976 23 HE ARG 3 HE ARG 3 1.377 -1.769 -4.291 24 HH11 ARG 3 1HH1 ARG 3 -1.525 -1.891 -6.210 25 HH12 ARG 3 2HH1 ARG 3 -2.444 -2.727 -5.003 26 HH21 ARG 3 1HH2 ARG 3 0.178 -2.870 -2.694 27 HH22 ARG 3 2HH2 ARG 3 -1.475 -3.283 -3.003 28 H MET 4 H MET 4 4.025 -0.032 -4.575 29 HA MET 4 HA MET 4 5.428 2.028 -3.016 30 HB2 MET 4 2HB MET 4 6.425 0.102 -1.678 31 HB3 MET 4 3HB MET 4 4.750 0.515 -1.338 32 HG2 MET 4 2HG MET 4 3.984 -1.464 -2.045 33 HG3 MET 4 3HG MET 4 5.101 -1.526 -3.406 34 HE1 MET 4 3HE MET 4 4.134 -2.314 -0.031 35 HE2 MET 4 1HE MET 4 5.206 -3.610 0.498 36 HE3 MET 4 2HE MET 4 5.633 -1.929 0.815 37 H ILE 5 H ILE 5 6.857 2.646 -4.559 38 HA ILE 5 HA ILE 5 8.841 0.658 -5.368 39 HB ILE 5 HB ILE 5 8.818 1.239 -7.669 40 HG12 ILE 5 2HG1 ILE 5 6.614 2.922 -8.065 41 HG13 ILE 5 3HG1 ILE 5 7.481 3.622 -6.702 42 HG21 ILE 5 1HG2 ILE 5 5.909 1.010 -6.943 43 HG22 ILE 5 2HG2 ILE 5 6.726 0.394 -8.378 44 HG23 ILE 5 3HG2 ILE 5 7.042 -0.333 -6.803 45 HD11 ILE 5 3HD1 ILE 5 8.891 2.856 -9.230 46 HD12 ILE 5 1HD1 ILE 5 8.089 4.416 -9.045 47 HD13 ILE 5 2HD1 ILE 5 9.409 3.969 -7.964 48 H HIS 6 H HIS 6 10.728 1.786 -6.504 49 HA HIS 6 HA HIS 6 11.334 4.236 -5.004 50 HB2 HIS 6 2HB HIS 6 13.728 3.666 -5.644 51 HB3 HIS 6 3HB HIS 6 12.939 2.554 -4.530 52 HD1 HIS 6 HD1 HIS 6 12.230 0.218 -5.506 53 HD2 HIS 6 HD2 HIS 6 14.510 2.573 -8.059 54 HE1 HIS 6 HE1 HIS 6 13.030 -1.333 -7.317 55 H CYS 7 H CYS 7 10.640 5.908 -6.234 56 HA CYS 7 HA CYS 7 10.487 6.127 -8.959 57 HB2 CYS 7 2HB CYS 7 10.897 8.645 -8.526 58 HB3 CYS 7 3HB CYS 7 9.512 7.879 -7.758 59 HG CYS 7 HG CYS 7 10.367 9.463 -5.775 60 H ALA 8 H ALA 8 12.065 5.516 -10.310 61 HA ALA 8 HA ALA 8 14.842 5.933 -9.766 62 HB1 ALA 8 1HB ALA 8 14.323 5.386 -12.538 63 HB2 ALA 8 2HB ALA 8 15.098 4.370 -11.322 64 HB3 ALA 8 3HB ALA 8 13.345 4.337 -11.512 65 H LYS 9 H LYS 9 12.385 7.881 -11.048 66 HA LYS 9 HA LYS 9 13.923 9.422 -12.884 67 HB2 LYS 9 2HB LYS 9 11.270 9.202 -12.373 68 HB3 LYS 9 3HB LYS 9 11.624 10.714 -11.547 69 HG2 LYS 9 2HG LYS 9 12.861 10.735 -14.122 70 HG3 LYS 9 3HG LYS 9 11.158 10.301 -14.287 71 HD2 LYS 9 2HD LYS 9 10.961 12.572 -14.333 72 HD3 LYS 9 3HD LYS 9 10.869 12.319 -12.588 73 HE2 LYS 9 2HE LYS 9 12.916 13.225 -12.213 74 HE3 LYS 9 3HE LYS 9 13.573 12.642 -13.742 75 HZ1 LYS 9 3HZ LYS 9 12.555 14.408 -14.905 76 HZ2 LYS 9 1HZ LYS 9 13.290 15.109 -13.552 77 HZ3 LYS 9 2HZ LYS 9 11.617 14.863 -13.573 78 H LEU 10 H LEU 10 13.750 9.312 -9.484 79 HA LEU 10 HA LEU 10 15.317 11.795 -9.324 80 HB2 LEU 10 2HB LEU 10 13.690 11.097 -6.970 81 HB3 LEU 10 3HB LEU 10 14.078 12.674 -7.655 82 HG LEU 10 HG LEU 10 12.035 10.809 -8.849 83 HD11 LEU 10 1HD1 LEU 10 11.295 11.354 -6.624 84 HD12 LEU 10 2HD1 LEU 10 10.355 12.282 -7.791 85 HD13 LEU 10 3HD1 LEU 10 11.650 13.062 -6.884 86 HD21 LEU 10 3HD2 LEU 10 13.244 12.843 -10.059 87 HD22 LEU 10 1HD2 LEU 10 12.011 13.755 -9.189 88 HD23 LEU 10 2HD2 LEU 10 11.536 12.479 -10.310 89 H GLY 11 H GLY 11 14.385 8.858 -7.528 90 HA2 GLY 11 2HA GLY 11 16.256 7.307 -7.020 91 HA3 GLY 11 3HA GLY 11 17.169 8.729 -6.540 92 H LYS 12 H LYS 12 13.780 8.157 -5.794 93 HA LYS 12 HA LYS 12 14.496 7.619 -2.997 94 HB2 LYS 12 2HB LYS 12 12.268 9.508 -3.737 95 HB3 LYS 12 3HB LYS 12 12.982 9.238 -2.153 96 HG2 LYS 12 2HG LYS 12 14.837 10.514 -2.619 97 HG3 LYS 12 3HG LYS 12 14.684 10.290 -4.363 98 HD2 LYS 12 2HD LYS 12 12.829 11.794 -4.464 99 HD3 LYS 12 3HD LYS 12 12.727 11.873 -2.703 100 HE2 LYS 12 2HE LYS 12 15.367 12.589 -3.478 101 HE3 LYS 12 3HE LYS 12 14.236 13.506 -4.471 102 HZ1 LYS 12 3HZ LYS 12 14.983 14.360 -2.126 103 HZ2 LYS 12 1HZ LYS 12 13.735 13.351 -1.590 104 HZ3 LYS 12 2HZ LYS 12 13.402 14.604 -2.676 105 H GLU 13 H GLU 13 11.905 7.587 -1.973 106 HA GLU 13 HA GLU 13 10.791 5.251 -3.374 107 HB2 GLU 13 2HB GLU 13 10.994 6.006 -0.493 108 HB3 GLU 13 3HB GLU 13 9.635 5.015 -1.005 109 HG2 GLU 13 2HG GLU 13 11.095 3.304 -1.808 110 HG3 GLU 13 3HG GLU 13 12.510 4.321 -1.543 111 H ALA 14 H ALA 14 9.083 5.751 -4.573 112 HA ALA 14 HA ALA 14 7.088 7.609 -3.455 113 HB1 ALA 14 1HB ALA 14 8.167 7.451 -6.249 114 HB2 ALA 14 2HB ALA 14 6.592 8.166 -5.905 115 HB3 ALA 14 3HB ALA 14 8.048 8.852 -5.185 116 H GLU 15 H GLU 15 5.025 7.361 -5.086 117 HA GLU 15 HA GLU 15 4.169 4.622 -4.645 118 HB2 GLU 15 2HB GLU 15 2.505 6.834 -5.830 119 HB3 GLU 15 3HB GLU 15 1.957 5.397 -4.979 120 HG2 GLU 15 2HG GLU 15 1.674 6.951 -3.347 121 HG3 GLU 15 3HG GLU 15 3.327 6.448 -2.998 122 H GLY 16 H GLY 16 3.910 3.110 -6.175 123 HA2 GLY 16 2HA GLY 16 4.838 3.674 -8.848 124 HA3 GLY 16 3HA GLY 16 4.333 2.110 -8.224 125 H LEU 17 H LEU 17 3.649 2.973 -10.774 126 HA LEU 17 HA LEU 17 1.074 4.167 -10.868 127 HB2 LEU 17 2HB LEU 17 2.413 2.403 -12.913 128 HB3 LEU 17 3HB LEU 17 1.044 3.476 -13.196 129 HG LEU 17 HG LEU 17 3.892 4.261 -12.598 130 HD11 LEU 17 1HD1 LEU 17 2.131 4.784 -14.988 131 HD12 LEU 17 2HD1 LEU 17 3.404 3.567 -14.907 132 HD13 LEU 17 3HD1 LEU 17 3.813 5.278 -14.791 133 HD21 LEU 17 3HD2 LEU 17 1.380 5.913 -12.699 134 HD22 LEU 17 1HD2 LEU 17 2.986 6.600 -12.947 135 HD23 LEU 17 2HD2 LEU 17 2.585 5.828 -11.413 136 H ASP 18 H ASP 18 2.224 0.844 -10.744 137 HA ASP 18 HA ASP 18 1.165 -1.126 -10.330 138 HB2 ASP 18 2HB ASP 18 0.248 0.163 -8.402 139 HB3 ASP 18 3HB ASP 18 -1.138 0.599 -9.398 140 H PHE 19 H PHE 19 1.107 -0.330 -12.930 141 HA PHE 19 HA PHE 19 -1.075 -1.812 -13.965 142 HB2 PHE 19 2HB PHE 19 -2.319 0.244 -13.503 143 HB3 PHE 19 3HB PHE 19 -1.146 1.177 -14.427 144 HD1 PHE 19 HD2 PHE 19 -1.034 0.956 -16.870 145 HD2 PHE 19 HD1 PHE 19 -4.030 -1.015 -14.578 146 HE1 PHE 19 HE2 PHE 19 -2.353 0.591 -18.915 147 HE2 PHE 19 HE1 PHE 19 -5.354 -1.384 -16.619 148 HZ PHE 19 HZ PHE 19 -4.516 -0.580 -18.791 149 HA PRO 20 HA PRO 20 2.017 -2.236 -17.088 150 HB2 PRO 20 2HB PRO 20 0.522 -3.587 -18.907 151 HB3 PRO 20 3HB PRO 20 1.149 -4.335 -17.433 152 HG2 PRO 20 2HG PRO 20 -1.586 -3.254 -17.993 153 HG3 PRO 20 3HG PRO 20 -1.123 -4.752 -17.165 154 HD2 PRO 20 2HD PRO 20 -1.872 -2.521 -15.827 155 HD3 PRO 20 3HD PRO 20 -0.682 -3.667 -15.180 156 HA PRO 21 HA PRO 21 0.834 1.404 -19.482 157 HB2 PRO 21 2HB PRO 21 3.352 1.928 -20.350 158 HB3 PRO 21 3HB PRO 21 2.777 2.382 -18.741 159 HG2 PRO 21 2HG PRO 21 4.430 0.027 -19.567 160 HG3 PRO 21 3HG PRO 21 4.623 1.092 -18.162 161 HD2 PRO 21 2HD PRO 21 3.473 -1.353 -17.989 162 HD3 PRO 21 3HD PRO 21 2.987 0.006 -16.956 163 H LEU 22 H LEU 22 2.613 -1.433 -20.504 164 HA LEU 22 HA LEU 22 1.318 -1.347 -23.085 165 HB2 LEU 22 2HB LEU 22 4.278 -1.015 -22.753 166 HB3 LEU 22 3HB LEU 22 3.600 -1.744 -24.207 167 HG LEU 22 HG LEU 22 3.060 1.053 -23.210 168 HD11 LEU 22 1HD1 LEU 22 4.327 0.595 -25.820 169 HD12 LEU 22 2HD1 LEU 22 5.318 0.187 -24.420 170 HD13 LEU 22 3HD1 LEU 22 4.659 1.815 -24.590 171 HD21 LEU 22 3HD2 LEU 22 1.980 1.297 -25.458 172 HD22 LEU 22 1HD2 LEU 22 1.112 0.259 -24.327 173 HD23 LEU 22 2HD2 LEU 22 2.072 -0.457 -25.622 174 HA PRO 23 HA PRO 23 1.457 -5.715 -22.672 175 HB2 PRO 23 2HB PRO 23 1.552 -6.504 -25.268 176 HB3 PRO 23 3HB PRO 23 0.101 -5.821 -24.524 177 HG2 PRO 23 2HG PRO 23 2.146 -4.491 -26.260 178 HG3 PRO 23 3HG PRO 23 0.379 -4.346 -26.300 179 HD2 PRO 23 2HD PRO 23 1.967 -2.484 -25.142 180 HD3 PRO 23 3HD PRO 23 0.336 -2.851 -24.546 181 H GLY 24 H GLY 24 4.073 -3.979 -23.947 182 HA2 GLY 24 2HA GLY 24 5.752 -6.202 -24.637 183 HA3 GLY 24 3HA GLY 24 6.259 -4.530 -24.451 184 H GLU 25 H GLU 25 7.861 -6.579 -23.568 185 HA GLU 25 HA GLU 25 7.466 -7.208 -20.826 186 HB2 GLU 25 2HB GLU 25 10.048 -7.205 -22.398 187 HB3 GLU 25 3HB GLU 25 9.756 -8.036 -20.876 188 HG2 GLU 25 2HG GLU 25 7.962 -9.342 -22.070 189 HG3 GLU 25 3HG GLU 25 8.579 -8.650 -23.570 190 H LEU 26 H LEU 26 8.673 -4.446 -22.465 191 HA LEU 26 HA LEU 26 10.276 -3.437 -20.312 192 HB2 LEU 26 2HB LEU 26 10.899 -2.674 -22.430 193 HB3 LEU 26 3HB LEU 26 9.238 -2.298 -22.881 194 HG LEU 26 HG LEU 26 9.300 -0.416 -21.236 195 HD11 LEU 26 1HD1 LEU 26 11.536 0.357 -20.516 196 HD12 LEU 26 2HD1 LEU 26 12.219 -1.154 -21.114 197 HD13 LEU 26 3HD1 LEU 26 11.061 -1.176 -19.784 198 HD21 LEU 26 3HD2 LEU 26 10.240 1.059 -22.750 199 HD22 LEU 26 1HD2 LEU 26 9.870 -0.335 -23.765 200 HD23 LEU 26 2HD2 LEU 26 11.522 -0.064 -23.208 201 H GLY 27 H GLY 27 6.934 -3.213 -21.276 202 HA2 GLY 27 2HA GLY 27 6.165 -0.916 -19.875 203 HA3 GLY 27 3HA GLY 27 5.109 -2.266 -20.260 204 H LYS 28 H LYS 28 6.111 -4.311 -18.804 205 HA LYS 28 HA LYS 28 5.077 -3.873 -16.255 206 HB2 LYS 28 2HB LYS 28 6.040 -6.046 -15.664 207 HB3 LYS 28 3HB LYS 28 5.277 -6.101 -17.247 208 HG2 LYS 28 2HG LYS 28 7.257 -6.367 -18.350 209 HG3 LYS 28 3HG LYS 28 8.188 -5.523 -17.110 210 HD2 LYS 28 2HD LYS 28 6.900 -8.183 -16.574 211 HD3 LYS 28 3HD LYS 28 8.494 -8.061 -17.322 212 HE2 LYS 28 2HE LYS 28 9.116 -6.574 -15.344 213 HE3 LYS 28 3HE LYS 28 7.631 -7.152 -14.590 214 HZ1 LYS 28 3HZ LYS 28 9.885 -8.369 -14.189 215 HZ2 LYS 28 1HZ LYS 28 9.527 -9.117 -15.664 216 HZ3 LYS 28 2HZ LYS 28 8.455 -9.256 -14.363 217 H ARG 29 H ARG 29 8.209 -3.216 -17.530 218 HA ARG 29 HA ARG 29 9.432 -2.989 -14.899 219 HB2 ARG 29 2HB ARG 29 10.631 -2.311 -17.588 220 HB3 ARG 29 3HB ARG 29 11.491 -2.550 -16.072 221 HG2 ARG 29 2HG ARG 29 10.881 -4.898 -16.067 222 HG3 ARG 29 3HG ARG 29 9.952 -4.674 -17.550 223 HD2 ARG 29 2HD ARG 29 11.978 -4.059 -18.747 224 HD3 ARG 29 3HD ARG 29 12.918 -4.208 -17.263 225 HE ARG 29 HE ARG 29 12.057 -6.332 -18.981 226 HH11 ARG 29 1HH1 ARG 29 12.910 -5.497 -15.710 227 HH12 ARG 29 2HH1 ARG 29 13.373 -7.111 -15.281 228 HH21 ARG 29 1HH2 ARG 29 12.664 -8.460 -18.428 229 HH22 ARG 29 2HH2 ARG 29 13.234 -8.795 -16.828 230 H LEU 30 H LEU 30 7.792 -1.031 -17.165 231 HA LEU 30 HA LEU 30 8.996 1.467 -16.455 232 HB2 LEU 30 2HB LEU 30 6.598 0.629 -18.023 233 HB3 LEU 30 3HB LEU 30 6.774 2.315 -17.539 234 HG LEU 30 HG LEU 30 8.817 0.806 -19.164 235 HD11 LEU 30 1HD1 LEU 30 7.007 2.887 -20.299 236 HD12 LEU 30 2HD1 LEU 30 6.443 1.222 -20.165 237 HD13 LEU 30 3HD1 LEU 30 7.884 1.591 -21.112 238 HD21 LEU 30 3HD2 LEU 30 8.602 3.750 -19.199 239 HD22 LEU 30 1HD2 LEU 30 10.027 2.712 -19.240 240 HD23 LEU 30 2HD2 LEU 30 9.210 3.027 -17.709 241 H TYR 31 H TYR 31 5.899 -0.098 -15.668 242 HA TYR 31 HA TYR 31 5.063 1.942 -13.875 243 HB2 TYR 31 2HB TYR 31 3.163 0.679 -13.556 244 HB3 TYR 31 3HB TYR 31 3.705 0.042 -15.105 245 HD1 TYR 31 HD2 TYR 31 3.353 -0.654 -11.523 246 HD2 TYR 31 HD1 TYR 31 4.599 -2.203 -15.285 247 HE1 TYR 31 HE2 TYR 31 3.399 -2.920 -10.568 248 HE2 TYR 31 HE1 TYR 31 4.647 -4.473 -14.341 249 HH TYR 31 HH TYR 31 4.205 -5.740 -12.567 250 H GLU 32 H GLU 32 7.218 -0.702 -13.598 251 HA GLU 32 HA GLU 32 7.043 -0.771 -10.686 252 HB2 GLU 32 2HB GLU 32 8.102 -2.793 -10.761 253 HB3 GLU 32 3HB GLU 32 7.406 -2.791 -12.375 254 HG2 GLU 32 2HG GLU 32 9.553 -1.907 -13.244 255 HG3 GLU 32 3HG GLU 32 10.231 -2.081 -11.626 256 H SER 33 H SER 33 8.468 1.177 -12.858 257 HA SER 33 HA SER 33 10.820 1.633 -11.142 258 HB2 SER 33 2HB SER 33 11.835 1.014 -13.127 259 HB3 SER 33 3HB SER 33 10.530 1.666 -14.119 260 HG SER 33 HG SER 33 11.597 3.461 -14.245 261 H VAL 34 H VAL 34 8.333 3.116 -13.163 262 HA VAL 34 HA VAL 34 9.025 5.788 -12.290 263 HB VAL 34 HB VAL 34 7.246 6.565 -13.702 264 HG11 VAL 34 1HG1 VAL 34 8.145 4.419 -15.483 265 HG12 VAL 34 2HG1 VAL 34 8.339 6.168 -15.621 266 HG13 VAL 34 3HG1 VAL 34 9.442 5.234 -14.609 267 HG21 VAL 34 3HG2 VAL 34 5.380 5.297 -13.553 268 HG22 VAL 34 1HG2 VAL 34 6.051 4.533 -14.994 269 HG23 VAL 34 2HG2 VAL 34 6.285 3.790 -13.412 270 H SER 35 H SER 35 7.473 7.210 -11.252 271 HA SER 35 HA SER 35 5.512 5.805 -9.569 272 HB2 SER 35 2HB SER 35 7.838 7.424 -8.731 273 HB3 SER 35 3HB SER 35 6.326 7.792 -7.902 274 HG SER 35 HG SER 35 6.352 5.251 -7.859 275 H LYS 36 H LYS 36 4.188 7.608 -8.322 276 HA LYS 36 HA LYS 36 2.677 8.971 -10.251 277 HB2 LYS 36 2HB LYS 36 1.670 8.342 -8.160 278 HB3 LYS 36 3HB LYS 36 2.831 9.303 -7.253 279 HG2 LYS 36 2HG LYS 36 1.256 10.798 -9.229 280 HG3 LYS 36 3HG LYS 36 0.334 10.114 -7.888 281 HD2 LYS 36 2HD LYS 36 2.854 11.463 -7.160 282 HD3 LYS 36 3HD LYS 36 1.578 12.507 -7.792 283 HE2 LYS 36 2HE LYS 36 0.163 12.066 -6.036 284 HE3 LYS 36 3HE LYS 36 0.893 10.497 -5.701 285 HZ1 LYS 36 3HZ LYS 36 1.614 13.117 -4.711 286 HZ2 LYS 36 1HZ LYS 36 2.926 12.157 -5.182 287 HZ3 LYS 36 2HZ LYS 36 1.843 11.593 -4.012 288 H GLN 37 H GLN 37 5.581 9.833 -8.654 289 HA GLN 37 HA GLN 37 5.273 12.680 -8.969 290 HB2 GLN 37 2HB GLN 37 6.645 11.633 -7.160 291 HB3 GLN 37 3HB GLN 37 7.787 11.108 -8.389 292 HG2 GLN 37 2HG GLN 37 8.372 13.209 -7.119 293 HG3 GLN 37 3HG GLN 37 8.443 13.303 -8.878 294 HE21 GLN 37 1HE2 GLN 37 7.753 15.186 -9.568 295 HE22 GLN 37 2HE2 GLN 37 6.421 16.084 -8.935 296 H ALA 38 H ALA 38 7.302 10.179 -10.491 297 HA ALA 38 HA ALA 38 8.393 11.921 -12.449 298 HB1 ALA 38 1HB ALA 38 8.180 8.921 -12.618 299 HB2 ALA 38 2HB ALA 38 9.337 9.966 -13.442 300 HB3 ALA 38 3HB ALA 38 9.418 9.771 -11.692 301 H TRP 39 H TRP 39 5.447 10.119 -12.229 302 HA TRP 39 HA TRP 39 4.758 9.726 -14.873 303 HB2 TRP 39 2HB TRP 39 3.364 8.854 -13.121 304 HB3 TRP 39 3HB TRP 39 3.019 10.472 -12.517 305 HD1 TRP 39 HD1 TRP 39 0.747 11.384 -13.236 306 HE1 TRP 39 HE1 TRP 39 -0.900 10.940 -15.164 307 HE3 TRP 39 HE3 TRP 39 3.489 7.972 -15.876 308 HZ2 TRP 39 HZ2 TRP 39 -1.021 9.352 -17.494 309 HZ3 TRP 39 HZ3 TRP 39 2.535 7.038 -17.944 310 HH2 TRP 39 HH2 TRP 39 0.327 7.715 -18.734 311 H GLN 40 H GLN 40 4.653 12.678 -12.973 312 HA GLN 40 HA GLN 40 3.203 14.204 -14.896 313 HB2 GLN 40 2HB GLN 40 4.802 14.864 -12.447 314 HB3 GLN 40 3HB GLN 40 4.274 16.150 -13.525 315 HG2 GLN 40 2HG GLN 40 2.516 14.186 -12.074 316 HG3 GLN 40 3HG GLN 40 2.714 15.899 -11.710 317 HE21 GLN 40 1HE2 GLN 40 0.335 14.309 -12.447 318 HE22 GLN 40 2HE2 GLN 40 -0.343 15.109 -13.820 319 H ASP 41 H ASP 41 6.646 14.011 -14.027 320 HA ASP 41 HA ASP 41 7.567 15.858 -15.932 321 HB2 ASP 41 2HB ASP 41 8.780 14.726 -13.904 322 HB3 ASP 41 3HB ASP 41 9.238 13.514 -15.097 323 H TRP 42 H TRP 42 6.957 12.399 -16.120 324 HA TRP 42 HA TRP 42 8.175 11.961 -18.631 325 HB2 TRP 42 2HB TRP 42 7.509 10.189 -16.961 326 HB3 TRP 42 3HB TRP 42 5.842 10.423 -17.482 327 HD1 TRP 42 HD1 TRP 42 8.632 10.475 -20.081 328 HE1 TRP 42 HE1 TRP 42 8.406 8.396 -21.582 329 HE3 TRP 42 HE3 TRP 42 4.993 7.992 -17.487 330 HZ2 TRP 42 HZ2 TRP 42 6.885 6.019 -21.657 331 HZ3 TRP 42 HZ3 TRP 42 4.208 5.822 -18.341 332 HH2 TRP 42 HH2 TRP 42 5.135 4.858 -20.383 333 H LEU 43 H LEU 43 5.072 13.217 -17.685 334 HA LEU 43 HA LEU 43 3.766 12.865 -20.188 335 HB2 LEU 43 2HB LEU 43 3.240 14.672 -17.843 336 HB3 LEU 43 3HB LEU 43 2.214 14.645 -19.275 337 HG LEU 43 HG LEU 43 2.705 12.075 -17.859 338 HD11 LEU 43 1HD1 LEU 43 1.891 14.288 -16.405 339 HD12 LEU 43 2HD1 LEU 43 1.667 12.596 -15.963 340 HD13 LEU 43 3HD1 LEU 43 0.388 13.460 -16.815 341 HD21 LEU 43 3HD2 LEU 43 0.410 13.340 -19.343 342 HD22 LEU 43 1HD2 LEU 43 0.291 11.798 -18.494 343 HD23 LEU 43 2HD2 LEU 43 1.408 11.974 -19.848 344 H LYS 44 H LYS 44 5.731 15.413 -18.778 345 HA LYS 44 HA LYS 44 5.218 17.493 -20.537 346 HB2 LYS 44 2HB LYS 44 7.808 16.726 -19.183 347 HB3 LYS 44 3HB LYS 44 7.541 18.258 -20.004 348 HG2 LYS 44 2HG LYS 44 5.664 17.420 -17.848 349 HG3 LYS 44 3HG LYS 44 7.251 18.064 -17.418 350 HD2 LYS 44 2HD LYS 44 6.770 20.070 -18.772 351 HD3 LYS 44 3HD LYS 44 5.162 19.429 -19.117 352 HE2 LYS 44 2HE LYS 44 4.508 19.598 -16.849 353 HE3 LYS 44 3HE LYS 44 6.165 19.875 -16.317 354 HZ1 LYS 44 3HZ LYS 44 6.157 22.025 -17.239 355 HZ2 LYS 44 1HZ LYS 44 4.685 21.885 -16.417 356 HZ3 LYS 44 2HZ LYS 44 4.728 21.751 -18.102 357 H GLN 45 H GLN 45 8.019 15.290 -20.758 358 HA GLN 45 HA GLN 45 8.727 16.045 -23.368 359 HB2 GLN 45 2HB GLN 45 10.234 14.195 -23.348 360 HB3 GLN 45 3HB GLN 45 10.191 14.846 -21.715 361 HG2 GLN 45 2HG GLN 45 8.749 13.062 -20.990 362 HG3 GLN 45 3HG GLN 45 8.626 12.448 -22.638 363 HE21 GLN 45 1HE2 GLN 45 9.817 10.731 -22.988 364 HE22 GLN 45 2HE2 GLN 45 11.335 10.367 -22.248 365 H GLN 46 H GLN 46 6.496 13.640 -22.151 366 HA GLN 46 HA GLN 46 6.140 12.022 -24.354 367 HB2 GLN 46 2HB GLN 46 4.677 12.646 -21.955 368 HB3 GLN 46 3HB GLN 46 3.562 12.468 -23.304 369 HG2 GLN 46 2HG GLN 46 5.323 10.338 -23.568 370 HG3 GLN 46 3HG GLN 46 5.020 10.459 -21.836 371 HE21 GLN 46 1HE2 GLN 46 3.744 8.709 -21.577 372 HE22 GLN 46 2HE2 GLN 46 2.197 8.515 -22.322 373 H THR 47 H THR 47 4.802 15.223 -23.730 374 HA THR 47 HA THR 47 3.264 15.198 -26.187 375 HB THR 47 HB THR 47 3.718 17.425 -24.190 376 HG1 THR 47 HG1 THR 47 1.837 16.769 -23.297 377 HG21 THR 47 3HG2 THR 47 1.564 18.274 -25.351 378 HG22 THR 47 1HG2 THR 47 2.060 17.228 -26.681 379 HG23 THR 47 2HG2 THR 47 3.116 18.535 -26.147 380 H MET 48 H MET 48 6.339 16.338 -25.047 381 HA MET 48 HA MET 48 6.815 18.267 -27.073 382 HB2 MET 48 2HB MET 48 8.801 16.682 -25.433 383 HB3 MET 48 3HB MET 48 9.165 18.126 -26.369 384 HG2 MET 48 2HG MET 48 7.010 18.374 -24.373 385 HG3 MET 48 3HG MET 48 8.641 18.148 -23.746 386 HE1 MET 48 3HE MET 48 6.144 20.590 -24.238 387 HE2 MET 48 1HE MET 48 6.791 21.956 -25.147 388 HE3 MET 48 2HE MET 48 6.322 20.478 -25.989 389 H LEU 49 H LEU 49 7.423 14.809 -26.811 390 HA LEU 49 HA LEU 49 8.950 14.653 -29.229 391 HB2 LEU 49 2HB LEU 49 7.557 12.469 -27.687 392 HB3 LEU 49 3HB LEU 49 8.768 12.239 -28.946 393 HG LEU 49 HG LEU 49 9.116 13.145 -26.121 394 HD11 LEU 49 1HD1 LEU 49 11.162 11.607 -26.510 395 HD12 LEU 49 2HD1 LEU 49 10.275 11.071 -27.936 396 HD13 LEU 49 3HD1 LEU 49 9.562 10.886 -26.334 397 HD21 LEU 49 3HD2 LEU 49 10.246 14.913 -27.120 398 HD22 LEU 49 1HD2 LEU 49 10.792 13.928 -28.477 399 HD23 LEU 49 2HD2 LEU 49 11.515 13.711 -26.883 400 H ILE 50 H ILE 50 5.584 14.123 -28.331 401 HA ILE 50 HA ILE 50 4.760 13.034 -30.817 402 HB ILE 50 HB ILE 50 3.158 14.432 -28.674 403 HG12 ILE 50 2HG1 ILE 50 3.282 11.484 -29.301 404 HG13 ILE 50 3HG1 ILE 50 4.369 12.246 -28.145 405 HG21 ILE 50 1HG2 ILE 50 2.234 12.864 -31.076 406 HG22 ILE 50 2HG2 ILE 50 1.197 13.362 -29.741 407 HG23 ILE 50 3HG2 ILE 50 1.965 14.578 -30.762 408 HD11 ILE 50 3HD1 ILE 50 2.834 11.885 -26.597 409 HD12 ILE 50 1HD1 ILE 50 1.818 13.079 -27.404 410 HD13 ILE 50 2HD1 ILE 50 1.658 11.369 -27.805 411 H ASN 51 H ASN 51 5.068 16.298 -29.582 412 HA ASN 51 HA ASN 51 3.707 17.467 -31.852 413 HB2 ASN 51 2HB ASN 51 5.036 18.552 -29.390 414 HB3 ASN 51 3HB ASN 51 4.662 19.626 -30.734 415 HD21 ASN 51 1HD2 ASN 51 3.083 17.022 -28.907 416 HD22 ASN 51 2HD2 ASN 51 1.569 17.836 -28.731 417 H GLU 52 H GLU 52 6.999 16.957 -30.742 418 HA GLU 52 HA GLU 52 8.206 18.576 -32.771 419 HB2 GLU 52 2HB GLU 52 9.338 18.153 -30.640 420 HB3 GLU 52 3HB GLU 52 9.400 16.434 -31.003 421 HG2 GLU 52 2HG GLU 52 11.528 17.682 -31.384 422 HG3 GLU 52 3HG GLU 52 10.937 16.766 -32.770 423 H ASN 53 H ASN 53 7.669 15.103 -32.324 424 HA ASN 53 HA ASN 53 8.804 14.521 -34.937 425 HB2 ASN 53 2HB ASN 53 7.576 12.701 -32.854 426 HB3 ASN 53 3HB ASN 53 8.340 12.158 -34.345 427 HD21 ASN 53 1HD2 ASN 53 8.799 12.801 -31.118 428 HD22 ASN 53 2HD2 ASN 53 10.526 12.848 -31.095 429 H ARG 54 H ARG 54 5.789 15.303 -33.615 430 HA ARG 54 HA ARG 54 3.670 15.349 -34.440 431 HB2 ARG 54 2HB ARG 54 5.320 15.228 -36.942 432 HB3 ARG 54 3HB ARG 54 3.566 15.170 -37.040 433 HG2 ARG 54 2HG ARG 54 4.962 17.346 -35.530 434 HG3 ARG 54 3HG ARG 54 4.727 17.439 -37.277 435 HD2 ARG 54 2HD ARG 54 2.485 16.952 -35.328 436 HD3 ARG 54 3HD ARG 54 2.961 18.561 -35.869 437 HE ARG 54 HE ARG 54 2.539 17.039 -38.147 438 HH11 ARG 54 1HH1 ARG 54 0.692 18.183 -35.427 439 HH12 ARG 54 2HH1 ARG 54 -0.801 18.254 -36.304 440 HH21 ARG 54 1HH2 ARG 54 0.580 17.128 -39.312 441 HH22 ARG 54 2HH2 ARG 54 -0.863 17.653 -38.514 442 H LEU 55 H LEU 55 4.150 13.009 -33.312 443 HA LEU 55 HA LEU 55 3.588 10.838 -35.156 444 HB2 LEU 55 2HB LEU 55 3.741 10.738 -32.151 445 HB3 LEU 55 3HB LEU 55 3.842 9.383 -33.273 446 HG LEU 55 HG LEU 55 5.902 11.572 -33.230 447 HD11 LEU 55 1HD1 LEU 55 5.946 10.740 -31.012 448 HD12 LEU 55 2HD1 LEU 55 7.265 9.950 -31.876 449 HD13 LEU 55 3HD1 LEU 55 5.767 9.073 -31.560 450 HD21 LEU 55 3HD2 LEU 55 7.249 9.517 -34.064 451 HD22 LEU 55 1HD2 LEU 55 6.166 10.354 -35.177 452 HD23 LEU 55 2HD2 LEU 55 5.659 8.841 -34.424 453 H ASN 56 H ASN 56 1.900 9.181 -34.112 454 HA ASN 56 HA ASN 56 -0.611 10.677 -33.980 455 HB2 ASN 56 2HB ASN 56 0.009 8.596 -35.547 456 HB3 ASN 56 3HB ASN 56 -0.600 7.708 -34.154 457 HD21 ASN 56 1HD2 ASN 56 -2.629 9.202 -33.255 458 HD22 ASN 56 2HD2 ASN 56 -3.863 9.352 -34.454 459 H MET 57 H MET 57 -0.250 11.305 -31.751 460 HA MET 57 HA MET 57 0.168 9.660 -29.591 461 HB2 MET 57 2HB MET 57 -1.475 11.370 -28.423 462 HB3 MET 57 3HB MET 57 0.119 11.869 -28.975 463 HG2 MET 57 2HG MET 57 -0.707 13.224 -30.558 464 HG3 MET 57 3HG MET 57 -2.016 12.118 -30.970 465 HE1 MET 57 3HE MET 57 -1.395 15.634 -29.508 466 HE2 MET 57 1HE MET 57 -2.169 15.140 -31.014 467 HE3 MET 57 2HE MET 57 -3.123 15.904 -29.743 468 H ALA 58 H ALA 58 -2.976 10.513 -31.030 469 HA ALA 58 HA ALA 58 -4.651 9.100 -29.361 470 HB1 ALA 58 1HB ALA 58 -6.086 10.039 -30.769 471 HB2 ALA 58 2HB ALA 58 -4.822 10.274 -31.978 472 HB3 ALA 58 3HB ALA 58 -5.721 8.757 -31.925 473 H ASP 59 H ASP 59 -2.549 7.902 -31.878 474 HA ASP 59 HA ASP 59 -3.641 5.198 -31.573 475 HB2 ASP 59 2HB ASP 59 -2.240 6.642 -33.717 476 HB3 ASP 59 3HB ASP 59 -1.679 4.991 -33.474 477 HA PRO 60 HA PRO 60 -0.283 3.688 -29.191 478 HB2 PRO 60 2HB PRO 60 0.129 1.225 -30.256 479 HB3 PRO 60 3HB PRO 60 -1.283 1.620 -29.268 480 HG2 PRO 60 2HG PRO 60 -1.040 1.468 -32.248 481 HG3 PRO 60 3HG PRO 60 -2.338 0.869 -31.199 482 HD2 PRO 60 2HD PRO 60 -2.534 3.190 -32.580 483 HD3 PRO 60 3HD PRO 60 -3.309 2.950 -31.000 484 H ARG 61 H ARG 61 0.081 4.231 -32.527 485 HA ARG 61 HA ARG 61 2.684 3.277 -32.981 486 HB2 ARG 61 2HB ARG 61 1.419 5.706 -34.254 487 HB3 ARG 61 3HB ARG 61 2.712 4.714 -34.915 488 HG2 ARG 61 2HG ARG 61 -0.148 3.881 -34.478 489 HG3 ARG 61 3HG ARG 61 0.637 4.205 -36.025 490 HD2 ARG 61 2HD ARG 61 2.270 2.357 -35.405 491 HD3 ARG 61 3HD ARG 61 1.145 1.942 -34.113 492 HE ARG 61 HE ARG 61 -0.288 2.069 -36.507 493 HH11 ARG 61 1HH1 ARG 61 2.200 0.145 -35.015 494 HH12 ARG 61 2HH1 ARG 61 1.773 -1.303 -35.866 495 HH21 ARG 61 1HH2 ARG 61 -0.860 0.169 -37.634 496 HH22 ARG 61 2HH2 ARG 61 0.033 -1.288 -37.356 497 H ALA 62 H ALA 62 1.491 6.341 -31.699 498 HA ALA 62 HA ALA 62 4.117 7.510 -31.538 499 HB1 ALA 62 1HB ALA 62 2.920 9.313 -30.271 500 HB2 ALA 62 2HB ALA 62 2.300 9.006 -31.894 501 HB3 ALA 62 3HB ALA 62 1.435 8.387 -30.487 502 H ARG 63 H ARG 63 2.194 5.463 -29.573 503 HA ARG 63 HA ARG 63 3.538 6.161 -27.101 504 HB2 ARG 63 2HB ARG 63 1.815 3.732 -27.437 505 HB3 ARG 63 3HB ARG 63 2.031 4.753 -26.022 506 HG2 ARG 63 2HG ARG 63 0.477 5.405 -28.514 507 HG3 ARG 63 3HG ARG 63 -0.163 5.107 -26.896 508 HD2 ARG 63 2HD ARG 63 1.718 7.150 -26.588 509 HD3 ARG 63 3HD ARG 63 0.831 7.550 -28.059 510 HE ARG 63 HE ARG 63 -1.026 7.980 -26.786 511 HH11 ARG 63 1HH1 ARG 63 1.314 6.259 -24.867 512 HH12 ARG 63 2HH1 ARG 63 0.446 6.472 -23.383 513 HH21 ARG 63 1HH2 ARG 63 -2.178 8.267 -24.839 514 HH22 ARG 63 2HH2 ARG 63 -1.541 7.613 -23.368 515 H GLN 64 H GLN 64 3.844 3.864 -29.669 516 HA GLN 64 HA GLN 64 5.445 1.983 -28.209 517 HB2 GLN 64 2HB GLN 64 4.647 2.340 -31.066 518 HB3 GLN 64 3HB GLN 64 6.004 1.287 -30.691 519 HG2 GLN 64 2HG GLN 64 4.349 0.221 -28.988 520 HG3 GLN 64 3HG GLN 64 3.122 0.980 -30.000 521 HE21 GLN 64 1HE2 GLN 64 2.266 -0.863 -30.837 522 HE22 GLN 64 2HE2 GLN 64 3.127 -1.928 -31.891 523 H TYR 65 H TYR 65 6.017 4.962 -29.792 524 HA TYR 65 HA TYR 65 8.858 4.455 -30.171 525 HB2 TYR 65 2HB TYR 65 7.865 5.730 -31.918 526 HB3 TYR 65 3HB TYR 65 7.081 6.817 -30.778 527 HD1 TYR 65 HD1 TYR 65 8.359 8.572 -29.652 528 HD2 TYR 65 HD2 TYR 65 10.190 6.007 -32.510 529 HE1 TYR 65 HE1 TYR 65 10.264 10.120 -29.812 530 HE2 TYR 65 HE2 TYR 65 12.101 7.547 -32.677 531 HH TYR 65 HH TYR 65 12.157 10.490 -31.970 532 H LEU 66 H LEU 66 6.706 6.062 -27.957 533 HA LEU 66 HA LEU 66 8.555 7.750 -26.676 534 HB2 LEU 66 2HB LEU 66 5.912 6.582 -25.986 535 HB3 LEU 66 3HB LEU 66 6.870 7.285 -24.684 536 HG LEU 66 HG LEU 66 6.155 8.807 -27.180 537 HD11 LEU 66 1HD1 LEU 66 4.645 8.595 -24.583 538 HD12 LEU 66 2HD1 LEU 66 4.067 8.190 -26.199 539 HD13 LEU 66 3HD1 LEU 66 4.392 9.870 -25.775 540 HD21 LEU 66 3HD2 LEU 66 7.009 9.698 -24.427 541 HD22 LEU 66 1HD2 LEU 66 6.662 10.744 -25.804 542 HD23 LEU 66 2HD2 LEU 66 8.042 9.647 -25.857 543 H MET 67 H MET 67 7.847 4.346 -26.330 544 HA MET 67 HA MET 67 8.990 3.831 -23.848 545 HB2 MET 67 2HB MET 67 9.042 1.562 -24.469 546 HB3 MET 67 3HB MET 67 7.696 2.241 -25.374 547 HG2 MET 67 2HG MET 67 9.289 2.497 -27.312 548 HG3 MET 67 3HG MET 67 10.427 1.521 -26.387 549 HE1 MET 67 3HE MET 67 9.594 -1.919 -27.297 550 HE2 MET 67 1HE MET 67 10.631 -0.663 -27.974 551 HE3 MET 67 2HE MET 67 10.490 -0.841 -26.225 552 H LYS 68 H LYS 68 10.477 4.545 -26.899 553 HA LYS 68 HA LYS 68 13.073 3.546 -26.254 554 HB2 LYS 68 2HB LYS 68 12.286 5.626 -28.303 555 HB3 LYS 68 3HB LYS 68 13.814 4.758 -28.242 556 HG2 LYS 68 2HG LYS 68 11.244 3.252 -28.464 557 HG3 LYS 68 3HG LYS 68 11.970 3.997 -29.890 558 HD2 LYS 68 2HD LYS 68 13.046 2.015 -30.037 559 HD3 LYS 68 3HD LYS 68 14.128 2.758 -28.855 560 HE2 LYS 68 2HE LYS 68 13.222 1.565 -27.088 561 HE3 LYS 68 3HE LYS 68 11.708 1.259 -27.938 562 HZ1 LYS 68 3HZ LYS 68 12.757 -0.347 -29.305 563 HZ2 LYS 68 1HZ LYS 68 13.208 -0.702 -27.713 564 HZ3 LYS 68 2HZ LYS 68 14.300 0.069 -28.749 565 H GLN 69 H GLN 69 11.338 6.439 -25.545 566 HA GLN 69 HA GLN 69 13.730 7.943 -24.872 567 HB2 GLN 69 2HB GLN 69 11.488 8.850 -25.878 568 HB3 GLN 69 3HB GLN 69 10.952 8.842 -24.203 569 HG2 GLN 69 2HG GLN 69 11.744 11.020 -24.692 570 HG3 GLN 69 3HG GLN 69 12.932 10.249 -23.641 571 HE21 GLN 69 1HE2 GLN 69 12.330 10.083 -27.132 572 HE22 GLN 69 2HE2 GLN 69 13.926 10.547 -27.603 573 H THR 70 H THR 70 11.376 5.948 -23.330 574 HA THR 70 HA THR 70 12.046 6.903 -20.664 575 HB THR 70 HB THR 70 10.395 4.457 -21.022 576 HG1 THR 70 HG1 THR 70 9.734 7.005 -22.028 577 HG21 THR 70 3HG2 THR 70 10.645 5.261 -18.801 578 HG22 THR 70 1HG2 THR 70 9.016 5.706 -19.305 579 HG23 THR 70 2HG2 THR 70 10.295 6.919 -19.287 580 H GLU 71 H GLU 71 12.595 4.113 -22.735 581 HA GLU 71 HA GLU 71 13.812 2.499 -20.725 582 HB2 GLU 71 2HB GLU 71 12.787 1.641 -22.852 583 HB3 GLU 71 3HB GLU 71 14.170 2.295 -23.717 584 HG2 GLU 71 2HG GLU 71 14.550 0.375 -21.457 585 HG3 GLU 71 3HG GLU 71 14.155 -0.197 -23.077 586 H LYS 72 H LYS 72 15.211 4.189 -23.540 587 HA LYS 72 HA LYS 72 17.889 3.804 -22.857 588 HB2 LYS 72 2HB LYS 72 17.265 4.538 -25.072 589 HB3 LYS 72 3HB LYS 72 16.579 6.025 -24.432 590 HG2 LYS 72 2HG LYS 72 18.709 6.492 -25.435 591 HG3 LYS 72 3HG LYS 72 18.830 6.707 -23.687 592 HD2 LYS 72 2HD LYS 72 19.514 4.083 -23.971 593 HD3 LYS 72 3HD LYS 72 20.170 4.785 -25.452 594 HE2 LYS 72 2HE LYS 72 20.687 6.354 -23.030 595 HE3 LYS 72 3HE LYS 72 21.431 4.756 -23.033 596 HZ1 LYS 72 3HZ LYS 72 22.917 6.381 -23.986 597 HZ2 LYS 72 1HZ LYS 72 21.754 6.837 -25.127 598 HZ3 LYS 72 2HZ LYS 72 22.432 5.289 -25.183 599 H TYR 73 H TYR 73 15.540 5.842 -21.451 600 HA TYR 73 HA TYR 73 17.230 7.896 -20.469 601 HB2 TYR 73 2HB TYR 73 14.882 8.319 -20.546 602 HB3 TYR 73 3HB TYR 73 14.525 6.889 -19.584 603 HD1 TYR 73 HD2 TYR 73 16.861 9.778 -19.142 604 HD2 TYR 73 HD1 TYR 73 13.663 7.480 -17.531 605 HE1 TYR 73 HE2 TYR 73 16.916 11.145 -17.098 606 HE2 TYR 73 HE1 TYR 73 13.708 8.841 -15.483 607 HH TYR 73 HH TYR 73 16.059 11.476 -15.081 608 H PHE 74 H PHE 74 15.547 5.463 -18.491 609 HA PHE 74 HA PHE 74 17.748 5.551 -16.580 610 HB2 PHE 74 2HB PHE 74 15.525 5.781 -15.649 611 HB3 PHE 74 3HB PHE 74 15.004 4.292 -16.430 612 HD1 PHE 74 HD1 PHE 74 18.044 5.124 -14.441 613 HD2 PHE 74 HD2 PHE 74 14.532 2.745 -14.795 614 HE1 PHE 74 HE1 PHE 74 18.710 3.850 -12.444 615 HE2 PHE 74 HE2 PHE 74 15.192 1.468 -12.798 616 HZ PHE 74 HZ PHE 74 17.282 2.020 -11.619 617 H PHE 75 H PHE 75 15.877 3.127 -18.390 618 HA PHE 75 HA PHE 75 17.509 0.937 -17.623 619 HB2 PHE 75 2HB PHE 75 15.731 1.166 -20.058 620 HB3 PHE 75 3HB PHE 75 16.308 -0.322 -19.316 621 HD1 PHE 75 HD2 PHE 75 15.887 0.557 -16.428 622 HD2 PHE 75 HD1 PHE 75 13.410 0.758 -19.883 623 HE1 PHE 75 HE2 PHE 75 13.889 0.498 -14.994 624 HE2 PHE 75 HE1 PHE 75 11.407 0.700 -18.455 625 HZ PHE 75 HZ PHE 75 11.645 0.569 -16.007 626 H GLY 76 H GLY 76 18.143 3.522 -19.623 627 HA2 GLY 76 2HA GLY 76 20.079 1.961 -21.217 628 HA3 GLY 76 3HA GLY 76 19.358 3.474 -21.745 629 H GLU 77 H GLU 77 20.325 5.367 -21.231 630 HA GLU 77 HA GLU 77 22.999 5.464 -20.557 631 HB2 GLU 77 2HB GLU 77 22.739 7.844 -20.297 632 HB3 GLU 77 3HB GLU 77 21.710 7.307 -21.618 633 HG2 GLU 77 2HG GLU 77 19.757 7.477 -20.269 634 HG3 GLU 77 3HG GLU 77 20.716 7.754 -18.816 635 H GLY 78 H GLY 78 20.204 5.385 -18.471 636 HA2 GLY 78 2HA GLY 78 19.986 5.326 -16.183 637 HA3 GLY 78 3HA GLY 78 21.524 4.477 -16.223 638 H ALA 79 H ALA 79 20.393 7.830 -16.688 639 HA ALA 79 HA ALA 79 22.750 8.775 -15.239 640 HB1 ALA 79 1HB ALA 79 22.360 10.895 -16.177 641 HB2 ALA 79 2HB ALA 79 22.014 9.745 -17.470 642 HB3 ALA 79 3HB ALA 79 20.689 10.499 -16.582 643 H ASP 80 H ASP 80 20.529 7.445 -13.864 644 HA ASP 80 HA ASP 80 19.760 9.652 -12.070 645 HB2 ASP 80 2HB ASP 80 18.097 7.233 -12.806 646 HB3 ASP 80 3HB ASP 80 17.655 8.439 -11.602 647 H GLN 81 H GLN 81 20.284 9.395 -9.990 648 HA GLN 81 HA GLN 81 21.381 6.796 -9.172 649 HB2 GLN 81 2HB GLN 81 22.581 8.024 -7.431 650 HB3 GLN 81 3HB GLN 81 22.932 8.686 -9.023 651 HG2 GLN 81 2HG GLN 81 22.635 10.585 -7.770 652 HG3 GLN 81 3HG GLN 81 21.033 10.358 -8.471 653 HE21 GLN 81 1HE2 GLN 81 19.685 11.125 -6.987 654 HE22 GLN 81 2HE2 GLN 81 19.635 10.638 -5.330 655 H ALA 82 H ALA 82 21.285 6.874 -6.503 656 HA ALA 82 HA ALA 82 18.693 7.647 -5.521 657 HB1 ALA 82 1HB ALA 82 18.851 4.833 -5.005 658 HB2 ALA 82 2HB ALA 82 17.565 5.755 -5.786 659 HB3 ALA 82 3HB ALA 82 18.908 5.128 -6.743 660 H SER 83 H SER 83 19.169 8.406 -3.575 661 HA SER 83 HA SER 83 21.420 7.302 -2.087 662 HB2 SER 83 2HB SER 83 21.065 9.796 -2.391 663 HB3 SER 83 3HB SER 83 19.683 9.649 -1.305 664 HG SER 83 HG SER 83 22.192 8.646 -0.530 665 H GLY 84 H GLY 84 19.355 5.502 -2.251 666 HA2 GLY 84 2HA GLY 84 18.825 5.009 0.514 667 HA3 GLY 84 3HA GLY 84 17.374 5.511 -0.341 668 H TYR 85 H TYR 85 17.523 3.037 0.859 669 HA TYR 85 HA TYR 85 17.612 1.249 -1.480 670 HB2 TYR 85 2HB TYR 85 18.844 0.955 1.182 671 HB3 TYR 85 3HB TYR 85 17.983 -0.467 0.603 672 HD1 TYR 85 HD1 TYR 85 18.560 -1.204 -1.850 673 HD2 TYR 85 HD2 TYR 85 21.054 1.259 0.561 674 HE1 TYR 85 HE1 TYR 85 20.496 -1.816 -3.238 675 HE2 TYR 85 HE2 TYR 85 22.997 0.655 -0.820 676 HH TYR 85 HH TYR 85 23.562 -1.482 -2.365 677 H VAL 86 H VAL 86 16.256 -0.752 -1.138 678 HA VAL 86 HA VAL 86 13.884 -0.203 0.510 679 HB VAL 86 HB VAL 86 12.524 -1.220 -1.409 680 HG11 VAL 86 1HG1 VAL 86 12.370 0.991 -2.569 681 HG12 VAL 86 2HG1 VAL 86 12.248 1.075 -0.810 682 HG13 VAL 86 3HG1 VAL 86 13.753 1.523 -1.613 683 HG21 VAL 86 3HG2 VAL 86 14.885 -0.291 -3.037 684 HG22 VAL 86 1HG2 VAL 86 14.544 -1.981 -2.668 685 HG23 VAL 86 2HG2 VAL 86 13.402 -1.040 -3.628 686 HA PRO 87 HA PRO 87 14.114 -4.408 1.749 687 HB2 PRO 87 2HB PRO 87 11.490 -5.018 2.085 688 HB3 PRO 87 3HB PRO 87 12.380 -3.961 3.188 689 HG2 PRO 87 2HG PRO 87 10.534 -3.236 0.945 690 HG3 PRO 87 3HG PRO 87 10.647 -2.538 2.571 691 HD2 PRO 87 2HD PRO 87 11.742 -1.352 0.397 692 HD3 PRO 87 3HD PRO 87 12.457 -1.222 2.017 693 HA PRO 88 HA PRO 88 13.499 -7.212 -1.582 694 HB2 PRO 88 2HB PRO 88 12.807 -9.510 -0.313 695 HB3 PRO 88 3HB PRO 88 14.444 -8.844 -0.270 696 HG2 PRO 88 2HG PRO 88 12.265 -8.648 1.773 697 HG3 PRO 88 3HG PRO 88 13.994 -8.962 2.008 698 HD2 PRO 88 2HD PRO 88 12.888 -6.524 2.412 699 HD3 PRO 88 3HD PRO 88 14.551 -6.733 1.829 700 H ALA 89 H ALA 89 10.885 -7.259 0.819 701 HA ALA 89 HA ALA 89 8.919 -8.565 -0.609 702 HB1 ALA 89 1HB ALA 89 8.461 -6.189 1.188 703 HB2 ALA 89 2HB ALA 89 7.314 -7.472 0.803 704 HB3 ALA 89 3HB ALA 89 8.752 -7.832 1.759 705 H GLN 90 H GLN 90 7.372 -7.984 -2.097 706 HA GLN 90 HA GLN 90 7.518 -5.275 -3.219 707 HB2 GLN 90 2HB GLN 90 7.623 -6.065 -5.459 708 HB3 GLN 90 3HB GLN 90 8.881 -6.914 -4.571 709 HG2 GLN 90 2HG GLN 90 7.408 -8.866 -4.379 710 HG3 GLN 90 3HG GLN 90 6.181 -8.014 -5.315 711 HE21 GLN 90 1HE2 GLN 90 6.493 -7.694 -7.513 712 HE22 GLN 90 2HE2 GLN 90 7.683 -8.565 -8.412 713 H GLY 91 H GLY 91 5.665 -5.064 -4.949 714 HA2 GLY 91 2HA GLY 91 3.393 -4.846 -5.218 715 HA3 GLY 91 3HA GLY 91 3.345 -6.567 -4.862 Start of MODEL 9 1 H1 MET 1 H MET 1 -4.777 3.434 -1.861 2 HA MET 1 HA MET 1 -2.001 2.579 -1.852 3 HB2 MET 1 2HB MET 1 -4.569 1.167 -1.126 4 HB3 MET 1 3HB MET 1 -2.989 0.398 -1.070 5 HG2 MET 1 2HG MET 1 -2.298 2.261 0.501 6 HG3 MET 1 3HG MET 1 -4.008 2.672 0.599 7 HE1 MET 1 3HE MET 1 -3.870 1.189 3.972 8 HE2 MET 1 1HE MET 1 -3.875 2.612 2.929 9 HE3 MET 1 2HE MET 1 -5.287 1.556 2.987 10 H ALA 2 H ALA 2 -1.245 2.343 -3.891 11 HA ALA 2 HA ALA 2 -2.792 0.629 -5.722 12 HB1 ALA 2 1HB ALA 2 -0.988 2.961 -6.226 13 HB2 ALA 2 2HB ALA 2 -1.242 1.742 -7.476 14 HB3 ALA 2 3HB ALA 2 -2.613 2.649 -6.837 15 H ARG 3 H ARG 3 0.622 1.601 -5.703 16 HA ARG 3 HA ARG 3 1.381 -1.218 -5.372 17 HB2 ARG 3 2HB ARG 3 1.589 0.269 -7.776 18 HB3 ARG 3 3HB ARG 3 3.220 0.076 -7.148 19 HG2 ARG 3 2HG ARG 3 1.559 -2.351 -7.122 20 HG3 ARG 3 3HG ARG 3 1.981 -1.725 -8.717 21 HD2 ARG 3 2HD ARG 3 4.382 -1.576 -7.713 22 HD3 ARG 3 3HD ARG 3 3.762 -2.737 -6.540 23 HE ARG 3 HE ARG 3 3.236 -3.510 -9.244 24 HH11 ARG 3 1HH1 ARG 3 5.634 -3.500 -6.721 25 HH12 ARG 3 2HH1 ARG 3 6.482 -4.878 -7.342 26 HH21 ARG 3 1HH2 ARG 3 4.343 -5.325 -10.072 27 HH22 ARG 3 2HH2 ARG 3 5.747 -5.914 -9.248 28 H MET 4 H MET 4 3.989 -1.201 -5.313 29 HA MET 4 HA MET 4 4.832 0.985 -3.538 30 HB2 MET 4 2HB MET 4 6.095 -0.810 -2.225 31 HB3 MET 4 3HB MET 4 4.354 -0.720 -1.990 32 HG2 MET 4 2HG MET 4 3.967 -2.708 -3.028 33 HG3 MET 4 3HG MET 4 5.381 -2.566 -4.070 34 HE1 MET 4 3HE MET 4 4.290 -5.221 -1.832 35 HE2 MET 4 1HE MET 4 4.945 -4.829 -0.242 36 HE3 MET 4 2HE MET 4 3.770 -3.755 -1.000 37 H ILE 5 H ILE 5 6.229 1.966 -4.911 38 HA ILE 5 HA ILE 5 8.603 0.432 -5.674 39 HB ILE 5 HB ILE 5 8.651 1.234 -7.910 40 HG12 ILE 5 2HG1 ILE 5 6.201 2.532 -8.344 41 HG13 ILE 5 3HG1 ILE 5 6.847 3.241 -6.868 42 HG21 ILE 5 1HG2 ILE 5 6.882 0.046 -8.866 43 HG22 ILE 5 2HG2 ILE 5 7.081 -0.687 -7.275 44 HG23 ILE 5 3HG2 ILE 5 5.775 0.464 -7.558 45 HD11 ILE 5 3HD1 ILE 5 8.532 2.967 -9.325 46 HD12 ILE 5 1HD1 ILE 5 7.438 4.332 -9.102 47 HD13 ILE 5 2HD1 ILE 5 8.742 4.048 -7.947 48 H HIS 6 H HIS 6 10.342 1.968 -6.537 49 HA HIS 6 HA HIS 6 10.382 4.338 -4.801 50 HB2 HIS 6 2HB HIS 6 12.887 4.226 -5.221 51 HB3 HIS 6 3HB HIS 6 12.201 2.908 -4.275 52 HD1 HIS 6 HD1 HIS 6 11.980 0.583 -5.495 53 HD2 HIS 6 HD2 HIS 6 14.087 3.485 -7.592 54 HE1 HIS 6 HE1 HIS 6 13.205 -0.655 -7.309 55 H CYS 7 H CYS 7 9.508 5.957 -5.994 56 HA CYS 7 HA CYS 7 9.562 6.390 -8.686 57 HB2 CYS 7 2HB CYS 7 9.561 8.905 -8.023 58 HB3 CYS 7 3HB CYS 7 8.231 7.882 -7.494 59 HG CYS 7 HG CYS 7 8.614 9.354 -5.294 60 H ALA 8 H ALA 8 11.309 6.161 -9.941 61 HA ALA 8 HA ALA 8 13.938 6.930 -9.114 62 HB1 ALA 8 1HB ALA 8 12.985 5.169 -10.943 63 HB2 ALA 8 2HB ALA 8 13.493 6.500 -11.984 64 HB3 ALA 8 3HB ALA 8 14.651 5.748 -10.886 65 H LYS 9 H LYS 9 11.314 8.584 -10.497 66 HA LYS 9 HA LYS 9 12.803 10.523 -11.991 67 HB2 LYS 9 2HB LYS 9 10.427 9.945 -12.464 68 HB3 LYS 9 3HB LYS 9 9.972 10.699 -10.941 69 HG2 LYS 9 2HG LYS 9 9.592 12.151 -12.892 70 HG3 LYS 9 3HG LYS 9 10.716 12.849 -11.724 71 HD2 LYS 9 2HD LYS 9 12.601 12.171 -13.103 72 HD3 LYS 9 3HD LYS 9 11.505 11.397 -14.251 73 HE2 LYS 9 2HE LYS 9 11.041 13.334 -15.261 74 HE3 LYS 9 3HE LYS 9 10.800 14.168 -13.727 75 HZ1 LYS 9 3HZ LYS 9 12.801 15.081 -13.874 76 HZ2 LYS 9 1HZ LYS 9 12.906 14.491 -15.456 77 HZ3 LYS 9 2HZ LYS 9 13.550 13.595 -14.174 78 H LEU 10 H LEU 10 12.486 9.981 -8.735 79 HA LEU 10 HA LEU 10 13.325 12.723 -8.136 80 HB2 LEU 10 2HB LEU 10 11.536 11.353 -6.192 81 HB3 LEU 10 3HB LEU 10 11.805 13.075 -6.455 82 HG LEU 10 HG LEU 10 10.278 11.340 -8.385 83 HD11 LEU 10 1HD1 LEU 10 8.983 13.180 -6.415 84 HD12 LEU 10 2HD1 LEU 10 9.343 11.509 -5.982 85 HD13 LEU 10 3HD1 LEU 10 8.276 11.857 -7.343 86 HD21 LEU 10 3HD2 LEU 10 11.202 14.053 -8.389 87 HD22 LEU 10 1HD2 LEU 10 9.438 14.019 -8.402 88 HD23 LEU 10 2HD2 LEU 10 10.346 13.163 -9.649 89 H GLY 11 H GLY 11 12.887 9.448 -6.805 90 HA2 GLY 11 2HA GLY 11 14.920 8.249 -6.131 91 HA3 GLY 11 3HA GLY 11 15.507 9.770 -5.477 92 H LYS 12 H LYS 12 12.193 8.759 -5.083 93 HA LYS 12 HA LYS 12 12.748 8.097 -2.269 94 HB2 LYS 12 2HB LYS 12 10.239 9.522 -3.107 95 HB3 LYS 12 3HB LYS 12 10.943 9.386 -1.501 96 HG2 LYS 12 2HG LYS 12 11.941 11.338 -1.778 97 HG3 LYS 12 3HG LYS 12 12.834 10.689 -3.155 98 HD2 LYS 12 2HD LYS 12 11.751 12.266 -4.331 99 HD3 LYS 12 3HD LYS 12 10.385 11.150 -4.258 100 HE2 LYS 12 2HE LYS 12 10.571 12.772 -1.868 101 HE3 LYS 12 3HE LYS 12 10.464 13.768 -3.319 102 HZ1 LYS 12 3HZ LYS 12 8.355 12.708 -2.052 103 HZ2 LYS 12 1HZ LYS 12 8.626 11.538 -3.244 104 HZ3 LYS 12 2HZ LYS 12 8.358 13.149 -3.685 105 H GLU 13 H GLU 13 10.111 7.527 -1.538 106 HA GLU 13 HA GLU 13 9.600 5.120 -3.154 107 HB2 GLU 13 2HB GLU 13 9.460 5.673 -0.229 108 HB3 GLU 13 3HB GLU 13 8.327 4.511 -0.904 109 HG2 GLU 13 2HG GLU 13 10.047 3.076 -1.605 110 HG3 GLU 13 3HG GLU 13 11.281 4.315 -1.381 111 H ALA 14 H ALA 14 7.943 5.425 -4.487 112 HA ALA 14 HA ALA 14 5.538 6.765 -3.432 113 HB1 ALA 14 1HB ALA 14 6.241 8.325 -4.967 114 HB2 ALA 14 2HB ALA 14 6.929 7.113 -6.048 115 HB3 ALA 14 3HB ALA 14 5.181 7.325 -5.959 116 H GLU 15 H GLU 15 3.662 6.261 -5.174 117 HA GLU 15 HA GLU 15 3.314 3.396 -5.005 118 HB2 GLU 15 2HB GLU 15 1.478 5.573 -6.017 119 HB3 GLU 15 3HB GLU 15 1.031 3.880 -5.863 120 HG2 GLU 15 2HG GLU 15 1.800 4.237 -3.379 121 HG3 GLU 15 3HG GLU 15 1.469 5.927 -3.754 122 H GLY 16 H GLY 16 3.237 1.957 -6.667 123 HA2 GLY 16 2HA GLY 16 4.398 2.829 -9.181 124 HA3 GLY 16 3HA GLY 16 4.089 1.169 -8.692 125 H LEU 17 H LEU 17 3.524 2.119 -11.254 126 HA LEU 17 HA LEU 17 0.834 2.924 -11.579 127 HB2 LEU 17 2HB LEU 17 2.632 1.451 -13.499 128 HB3 LEU 17 3HB LEU 17 1.126 2.264 -13.919 129 HG LEU 17 HG LEU 17 3.698 3.547 -13.007 130 HD11 LEU 17 1HD1 LEU 17 2.171 3.601 -15.604 131 HD12 LEU 17 2HD1 LEU 17 3.761 2.895 -15.315 132 HD13 LEU 17 3HD1 LEU 17 3.544 4.643 -15.227 133 HD21 LEU 17 3HD2 LEU 17 1.792 4.703 -12.015 134 HD22 LEU 17 1HD2 LEU 17 1.031 4.827 -13.602 135 HD23 LEU 17 2HD2 LEU 17 2.540 5.682 -13.278 136 H ASP 18 H ASP 18 2.392 -0.213 -11.350 137 HA ASP 18 HA ASP 18 1.564 -2.313 -11.061 138 HB2 ASP 18 2HB ASP 18 0.118 -0.946 -9.386 139 HB3 ASP 18 3HB ASP 18 -1.169 -1.170 -10.567 140 H PHE 19 H PHE 19 1.710 -1.382 -13.662 141 HA PHE 19 HA PHE 19 0.077 -3.218 -15.027 142 HB2 PHE 19 2HB PHE 19 -1.707 -1.600 -14.585 143 HB3 PHE 19 3HB PHE 19 -0.747 -0.322 -15.324 144 HD1 PHE 19 HD1 PHE 19 -0.349 -0.317 -17.750 145 HD2 PHE 19 HD2 PHE 19 -2.928 -3.156 -15.905 146 HE1 PHE 19 HE1 PHE 19 -1.333 -0.843 -19.943 147 HE2 PHE 19 HE2 PHE 19 -3.915 -3.688 -18.095 148 HZ PHE 19 HZ PHE 19 -3.117 -2.531 -20.118 149 HA PRO 20 HA PRO 20 3.442 -2.554 -17.805 150 HB2 PRO 20 2HB PRO 20 2.530 -4.069 -19.864 151 HB3 PRO 20 3HB PRO 20 3.192 -4.764 -18.380 152 HG2 PRO 20 2HG PRO 20 0.333 -4.369 -19.176 153 HG3 PRO 20 3HG PRO 20 1.095 -5.769 -18.398 154 HD2 PRO 20 2HD PRO 20 -0.335 -3.933 -17.014 155 HD3 PRO 20 3HD PRO 20 1.050 -4.792 -16.311 156 HA PRO 21 HA PRO 21 1.569 0.868 -20.079 157 HB2 PRO 21 2HB PRO 21 3.929 2.097 -20.616 158 HB3 PRO 21 3HB PRO 21 3.105 2.238 -19.059 159 HG2 PRO 21 2HG PRO 21 5.393 0.472 -19.838 160 HG3 PRO 21 3HG PRO 21 5.164 1.417 -18.355 161 HD2 PRO 21 2HD PRO 21 4.690 -1.246 -18.472 162 HD3 PRO 21 3HD PRO 21 3.767 -0.158 -17.417 163 H LEU 22 H LEU 22 3.817 -1.542 -21.057 164 HA LEU 22 HA LEU 22 2.927 -1.357 -23.788 165 HB2 LEU 22 2HB LEU 22 4.685 0.277 -23.875 166 HB3 LEU 22 3HB LEU 22 5.803 -0.820 -23.068 167 HG LEU 22 HG LEU 22 5.180 -2.271 -25.268 168 HD11 LEU 22 1HD1 LEU 22 5.637 0.189 -26.709 169 HD12 LEU 22 2HD1 LEU 22 4.100 0.223 -25.846 170 HD13 LEU 22 3HD1 LEU 22 4.441 -1.076 -26.988 171 HD21 LEU 22 3HD2 LEU 22 7.410 -1.428 -24.218 172 HD22 LEU 22 1HD2 LEU 22 7.313 -0.190 -25.470 173 HD23 LEU 22 2HD2 LEU 22 7.361 -1.895 -25.919 174 HA PRO 23 HA PRO 23 3.521 -5.706 -23.364 175 HB2 PRO 23 2HB PRO 23 3.298 -6.389 -25.982 176 HB3 PRO 23 3HB PRO 23 1.912 -5.924 -24.989 177 HG2 PRO 23 2HG PRO 23 3.477 -4.284 -26.944 178 HG3 PRO 23 3HG PRO 23 1.721 -4.367 -26.705 179 HD2 PRO 23 2HD PRO 23 3.234 -2.355 -25.707 180 HD3 PRO 23 3HD PRO 23 1.775 -2.950 -24.888 181 H GLY 24 H GLY 24 5.821 -5.243 -22.739 182 HA2 GLY 24 2HA GLY 24 7.580 -6.700 -24.475 183 HA3 GLY 24 3HA GLY 24 7.976 -4.989 -24.408 184 H GLU 25 H GLU 25 10.028 -5.800 -23.535 185 HA GLU 25 HA GLU 25 9.940 -6.847 -20.823 186 HB2 GLU 25 2HB GLU 25 12.366 -7.025 -21.020 187 HB3 GLU 25 3HB GLU 25 11.574 -7.769 -22.402 188 HG2 GLU 25 2HG GLU 25 12.393 -4.934 -22.657 189 HG3 GLU 25 3HG GLU 25 13.661 -6.158 -22.652 190 H LEU 26 H LEU 26 10.194 -3.838 -22.414 191 HA LEU 26 HA LEU 26 11.613 -2.475 -20.311 192 HB2 LEU 26 2HB LEU 26 11.929 -1.556 -22.438 193 HB3 LEU 26 3HB LEU 26 10.207 -1.607 -22.812 194 HG LEU 26 HG LEU 26 9.841 0.217 -21.177 195 HD11 LEU 26 1HD1 LEU 26 11.637 -0.020 -19.667 196 HD12 LEU 26 2HD1 LEU 26 11.911 1.504 -20.509 197 HD13 LEU 26 3HD1 LEU 26 12.835 0.072 -20.957 198 HD21 LEU 26 3HD2 LEU 26 9.917 1.089 -23.287 199 HD22 LEU 26 1HD2 LEU 26 11.553 0.506 -23.591 200 HD23 LEU 26 2HD2 LEU 26 11.298 1.922 -22.570 201 H GLY 27 H GLY 27 8.261 -2.903 -21.302 202 HA2 GLY 27 2HA GLY 27 7.045 -0.971 -19.702 203 HA3 GLY 27 3HA GLY 27 6.291 -2.476 -20.206 204 H LYS 28 H LYS 28 7.689 -4.386 -18.919 205 HA LYS 28 HA LYS 28 6.613 -4.405 -16.360 206 HB2 LYS 28 2HB LYS 28 8.219 -6.290 -15.928 207 HB3 LYS 28 3HB LYS 28 7.239 -6.472 -17.377 208 HG2 LYS 28 2HG LYS 28 9.022 -6.174 -18.789 209 HG3 LYS 28 3HG LYS 28 9.942 -5.242 -17.606 210 HD2 LYS 28 2HD LYS 28 11.039 -7.322 -17.754 211 HD3 LYS 28 3HD LYS 28 10.100 -7.396 -16.261 212 HE2 LYS 28 2HE LYS 28 8.279 -8.491 -17.705 213 HE3 LYS 28 3HE LYS 28 9.556 -8.723 -18.898 214 HZ1 LYS 28 3HZ LYS 28 9.305 -10.665 -17.491 215 HZ2 LYS 28 1HZ LYS 28 9.592 -9.736 -16.106 216 HZ3 LYS 28 2HZ LYS 28 10.821 -9.956 -17.247 217 H ARG 29 H ARG 29 9.626 -3.099 -17.511 218 HA ARG 29 HA ARG 29 10.648 -2.711 -14.812 219 HB2 ARG 29 2HB ARG 29 11.841 -1.846 -17.452 220 HB3 ARG 29 3HB ARG 29 12.650 -1.852 -15.891 221 HG2 ARG 29 2HG ARG 29 12.420 -4.306 -15.816 222 HG3 ARG 29 3HG ARG 29 11.698 -4.261 -17.425 223 HD2 ARG 29 2HD ARG 29 13.820 -3.047 -18.155 224 HD3 ARG 29 3HD ARG 29 14.503 -3.554 -16.611 225 HE ARG 29 HE ARG 29 14.102 -5.176 -18.924 226 HH11 ARG 29 1HH1 ARG 29 14.194 -5.222 -15.444 227 HH12 ARG 29 2HH1 ARG 29 14.631 -6.895 -15.347 228 HH21 ARG 29 1HH2 ARG 29 14.678 -7.380 -18.810 229 HH22 ARG 29 2HH2 ARG 29 14.907 -8.122 -17.262 230 H LEU 30 H LEU 30 8.827 -1.028 -17.162 231 HA LEU 30 HA LEU 30 9.532 1.624 -16.306 232 HB2 LEU 30 2HB LEU 30 7.484 0.459 -18.145 233 HB3 LEU 30 3HB LEU 30 7.352 2.140 -17.634 234 HG LEU 30 HG LEU 30 9.677 0.928 -19.128 235 HD11 LEU 30 1HD1 LEU 30 8.906 2.230 -21.011 236 HD12 LEU 30 2HD1 LEU 30 7.561 2.862 -20.061 237 HD13 LEU 30 3HD1 LEU 30 7.623 1.148 -20.469 238 HD21 LEU 30 3HD2 LEU 30 9.129 3.737 -18.185 239 HD22 LEU 30 1HD2 LEU 30 10.367 3.313 -19.367 240 HD23 LEU 30 2HD2 LEU 30 10.471 2.691 -17.720 241 H TYR 31 H TYR 31 6.560 -0.333 -16.043 242 HA TYR 31 HA TYR 31 5.185 1.407 -14.338 243 HB2 TYR 31 2HB TYR 31 3.572 -0.222 -14.217 244 HB3 TYR 31 3HB TYR 31 4.443 -0.779 -15.641 245 HD1 TYR 31 HD2 TYR 31 5.849 -2.765 -15.544 246 HD2 TYR 31 HD1 TYR 31 3.708 -1.431 -12.118 247 HE1 TYR 31 HE2 TYR 31 6.238 -4.939 -14.461 248 HE2 TYR 31 HE1 TYR 31 4.092 -3.601 -11.025 249 HH TYR 31 HH TYR 31 6.297 -5.916 -12.263 250 H GLU 32 H GLU 32 7.806 -0.712 -13.726 251 HA GLU 32 HA GLU 32 7.324 -0.685 -10.837 252 HB2 GLU 32 2HB GLU 32 8.771 -2.484 -10.646 253 HB3 GLU 32 3HB GLU 32 8.040 -2.773 -12.219 254 HG2 GLU 32 2HG GLU 32 10.015 -1.672 -13.262 255 HG3 GLU 32 3HG GLU 32 10.754 -1.605 -11.663 256 H SER 33 H SER 33 8.689 1.290 -13.031 257 HA SER 33 HA SER 33 10.865 2.115 -11.223 258 HB2 SER 33 2HB SER 33 11.911 3.179 -13.183 259 HB3 SER 33 3HB SER 33 11.659 1.455 -13.452 260 HG SER 33 HG SER 33 10.770 3.492 -14.904 261 H VAL 34 H VAL 34 8.194 3.253 -13.233 262 HA VAL 34 HA VAL 34 8.467 5.967 -12.221 263 HB VAL 34 HB VAL 34 6.631 6.536 -13.708 264 HG11 VAL 34 1HG1 VAL 34 7.913 6.533 -15.563 265 HG12 VAL 34 2HG1 VAL 34 9.128 5.855 -14.478 266 HG13 VAL 34 3HG1 VAL 34 8.172 4.790 -15.510 267 HG21 VAL 34 3HG2 VAL 34 6.046 4.417 -15.281 268 HG22 VAL 34 1HG2 VAL 34 6.254 3.617 -13.723 269 HG23 VAL 34 2HG2 VAL 34 5.074 4.916 -13.897 270 H SER 35 H SER 35 6.648 7.090 -11.248 271 HA SER 35 HA SER 35 4.816 5.315 -9.781 272 HB2 SER 35 2HB SER 35 6.799 7.211 -8.717 273 HB3 SER 35 3HB SER 35 5.187 7.384 -8.024 274 HG SER 35 HG SER 35 6.985 5.615 -7.370 275 H LYS 36 H LYS 36 3.171 6.896 -8.545 276 HA LYS 36 HA LYS 36 1.526 7.996 -10.518 277 HB2 LYS 36 2HB LYS 36 1.254 7.380 -7.854 278 HB3 LYS 36 3HB LYS 36 1.154 9.136 -7.841 279 HG2 LYS 36 2HG LYS 36 -0.457 7.856 -9.923 280 HG3 LYS 36 3HG LYS 36 -0.935 7.453 -8.272 281 HD2 LYS 36 2HD LYS 36 -0.394 10.304 -8.943 282 HD3 LYS 36 3HD LYS 36 -1.902 9.577 -9.503 283 HE2 LYS 36 2HE LYS 36 -2.364 8.872 -7.168 284 HE3 LYS 36 3HE LYS 36 -0.916 9.737 -6.657 285 HZ1 LYS 36 3HZ LYS 36 -2.409 11.378 -6.335 286 HZ2 LYS 36 1HZ LYS 36 -3.508 10.777 -7.472 287 HZ3 LYS 36 2HZ LYS 36 -2.159 11.658 -7.985 288 H GLN 37 H GLN 37 4.216 9.331 -8.853 289 HA GLN 37 HA GLN 37 3.496 12.086 -9.272 290 HB2 GLN 37 2HB GLN 37 4.959 11.279 -7.396 291 HB3 GLN 37 3HB GLN 37 6.210 10.953 -8.588 292 HG2 GLN 37 2HG GLN 37 6.664 13.054 -7.548 293 HG3 GLN 37 3HG GLN 37 6.175 13.343 -9.217 294 HE21 GLN 37 1HE2 GLN 37 5.323 13.687 -5.877 295 HE22 GLN 37 2HE2 GLN 37 3.988 14.758 -6.112 296 H ALA 38 H ALA 38 6.135 10.046 -10.542 297 HA ALA 38 HA ALA 38 6.922 11.839 -12.558 298 HB1 ALA 38 1HB ALA 38 8.424 10.242 -13.203 299 HB2 ALA 38 2HB ALA 38 8.060 9.675 -11.573 300 HB3 ALA 38 3HB ALA 38 7.286 8.915 -12.964 301 H TRP 39 H TRP 39 4.221 9.764 -12.336 302 HA TRP 39 HA TRP 39 3.724 9.004 -14.941 303 HB2 TRP 39 2HB TRP 39 2.304 8.228 -13.163 304 HB3 TRP 39 3HB TRP 39 1.792 9.870 -12.785 305 HD1 TRP 39 HD1 TRP 39 -0.550 10.385 -13.649 306 HE1 TRP 39 HE1 TRP 39 -2.016 9.604 -15.615 307 HE3 TRP 39 HE3 TRP 39 2.736 7.169 -15.884 308 HZ2 TRP 39 HZ2 TRP 39 -1.808 7.856 -17.821 309 HZ3 TRP 39 HZ3 TRP 39 2.024 5.981 -17.918 310 HH2 TRP 39 HH2 TRP 39 -0.201 6.319 -18.864 311 H GLN 40 H GLN 40 3.414 12.154 -13.469 312 HA GLN 40 HA GLN 40 1.910 13.310 -15.618 313 HB2 GLN 40 2HB GLN 40 3.417 14.499 -13.292 314 HB3 GLN 40 3HB GLN 40 2.579 15.483 -14.485 315 HG2 GLN 40 2HG GLN 40 1.126 13.310 -13.043 316 HG3 GLN 40 3HG GLN 40 1.400 14.869 -12.267 317 HE21 GLN 40 1HE2 GLN 40 -0.267 13.168 -14.779 318 HE22 GLN 40 2HE2 GLN 40 -1.350 14.442 -15.211 319 H ASP 41 H ASP 41 5.312 13.180 -14.695 320 HA ASP 41 HA ASP 41 6.344 15.015 -16.520 321 HB2 ASP 41 2HB ASP 41 7.630 13.960 -14.668 322 HB3 ASP 41 3HB ASP 41 7.664 12.458 -15.588 323 H TRP 42 H TRP 42 5.138 11.804 -16.999 324 HA TRP 42 HA TRP 42 6.411 11.266 -19.476 325 HB2 TRP 42 2HB TRP 42 4.054 10.129 -18.018 326 HB3 TRP 42 3HB TRP 42 4.333 9.677 -19.698 327 HD1 TRP 42 HD1 TRP 42 7.358 10.211 -17.458 328 HE1 TRP 42 HE1 TRP 42 8.493 7.940 -17.030 329 HE3 TRP 42 HE3 TRP 42 3.821 7.137 -19.502 330 HZ2 TRP 42 HZ2 TRP 42 7.960 5.208 -17.499 331 HZ3 TRP 42 HZ3 TRP 42 4.210 4.708 -19.473 332 HH2 TRP 42 HH2 TRP 42 6.238 3.765 -18.492 333 H LEU 43 H LEU 43 3.162 12.474 -18.671 334 HA LEU 43 HA LEU 43 2.228 12.770 -21.287 335 HB2 LEU 43 2HB LEU 43 1.519 14.547 -18.963 336 HB3 LEU 43 3HB LEU 43 0.536 14.198 -20.384 337 HG LEU 43 HG LEU 43 1.293 11.929 -18.616 338 HD11 LEU 43 1HD1 LEU 43 -0.011 14.262 -17.626 339 HD12 LEU 43 2HD1 LEU 43 0.335 12.746 -16.795 340 HD13 LEU 43 3HD1 LEU 43 -1.173 12.937 -17.689 341 HD21 LEU 43 3HD2 LEU 43 -1.332 12.578 -19.930 342 HD22 LEU 43 1HD2 LEU 43 -0.743 11.013 -19.368 343 HD23 LEU 43 2HD2 LEU 43 -0.016 11.772 -20.785 344 H LYS 44 H LYS 44 4.459 14.666 -19.456 345 HA LYS 44 HA LYS 44 4.219 17.083 -20.942 346 HB2 LYS 44 2HB LYS 44 5.184 17.247 -18.780 347 HB3 LYS 44 3HB LYS 44 6.352 15.977 -19.123 348 HG2 LYS 44 2HG LYS 44 7.435 18.136 -19.111 349 HG3 LYS 44 3HG LYS 44 7.465 17.449 -20.737 350 HD2 LYS 44 2HD LYS 44 5.085 19.010 -20.387 351 HD3 LYS 44 3HD LYS 44 6.498 19.970 -19.942 352 HE2 LYS 44 2HE LYS 44 7.355 18.766 -22.227 353 HE3 LYS 44 3HE LYS 44 5.637 18.970 -22.565 354 HZ1 LYS 44 3HZ LYS 44 6.737 20.905 -23.319 355 HZ2 LYS 44 1HZ LYS 44 7.602 21.080 -21.876 356 HZ3 LYS 44 2HZ LYS 44 5.932 21.345 -21.898 357 H GLN 45 H GLN 45 6.705 14.523 -20.964 358 HA GLN 45 HA GLN 45 8.019 15.541 -23.268 359 HB2 GLN 45 2HB GLN 45 9.374 13.584 -23.177 360 HB3 GLN 45 3HB GLN 45 9.052 14.060 -21.514 361 HG2 GLN 45 2HG GLN 45 7.378 12.339 -21.302 362 HG3 GLN 45 3HG GLN 45 7.564 11.908 -23.001 363 HE21 GLN 45 1HE2 GLN 45 8.851 10.269 -23.425 364 HE22 GLN 45 2HE2 GLN 45 10.100 9.662 -22.398 365 H GLN 46 H GLN 46 5.457 13.210 -22.748 366 HA GLN 46 HA GLN 46 5.417 11.867 -25.156 367 HB2 GLN 46 2HB GLN 46 3.534 12.407 -23.016 368 HB3 GLN 46 3HB GLN 46 2.727 12.329 -24.576 369 HG2 GLN 46 2HG GLN 46 3.207 10.122 -24.875 370 HG3 GLN 46 3HG GLN 46 4.675 10.195 -23.903 371 HE21 GLN 46 1HE2 GLN 46 4.207 8.480 -22.602 372 HE22 GLN 46 2HE2 GLN 46 2.917 8.477 -21.454 373 H THR 47 H THR 47 3.849 14.961 -24.374 374 HA THR 47 HA THR 47 2.793 15.365 -26.980 375 HB THR 47 HB THR 47 3.324 17.372 -24.780 376 HG1 THR 47 HG1 THR 47 1.023 15.870 -25.532 377 HG21 THR 47 3HG2 THR 47 3.139 18.465 -26.960 378 HG22 THR 47 1HG2 THR 47 1.722 18.802 -25.966 379 HG23 THR 47 2HG2 THR 47 1.625 17.615 -27.267 380 H MET 48 H MET 48 5.828 16.160 -25.435 381 HA MET 48 HA MET 48 6.729 18.063 -27.323 382 HB2 MET 48 2HB MET 48 8.017 16.387 -25.215 383 HB3 MET 48 3HB MET 48 9.047 17.171 -26.406 384 HG2 MET 48 2HG MET 48 7.662 19.293 -25.758 385 HG3 MET 48 3HG MET 48 7.338 18.374 -24.290 386 HE1 MET 48 3HE MET 48 9.428 20.911 -25.857 387 HE2 MET 48 1HE MET 48 11.106 20.603 -25.409 388 HE3 MET 48 2HE MET 48 10.328 19.613 -26.644 389 H LEU 49 H LEU 49 6.690 14.585 -27.275 390 HA LEU 49 HA LEU 49 8.501 14.376 -29.540 391 HB2 LEU 49 2HB LEU 49 6.922 12.229 -28.134 392 HB3 LEU 49 3HB LEU 49 8.214 11.979 -29.306 393 HG LEU 49 HG LEU 49 8.367 12.724 -26.430 394 HD11 LEU 49 1HD1 LEU 49 8.921 10.521 -26.716 395 HD12 LEU 49 2HD1 LEU 49 10.509 11.273 -26.859 396 HD13 LEU 49 3HD1 LEU 49 9.630 10.789 -28.309 397 HD21 LEU 49 3HD2 LEU 49 10.150 13.769 -28.587 398 HD22 LEU 49 1HD2 LEU 49 10.826 13.361 -27.010 399 HD23 LEU 49 2HD2 LEU 49 9.551 14.574 -27.136 400 H ILE 50 H ILE 50 5.074 13.950 -28.808 401 HA ILE 50 HA ILE 50 4.289 12.930 -31.312 402 HB ILE 50 HB ILE 50 2.688 14.540 -29.321 403 HG12 ILE 50 2HG1 ILE 50 2.407 11.594 -29.726 404 HG13 ILE 50 3HG1 ILE 50 3.780 12.184 -28.797 405 HG21 ILE 50 1HG2 ILE 50 0.716 13.572 -30.436 406 HG22 ILE 50 2HG2 ILE 50 1.644 14.627 -31.501 407 HG23 ILE 50 3HG2 ILE 50 1.775 12.876 -31.663 408 HD11 ILE 50 3HD1 ILE 50 2.480 12.283 -27.017 409 HD12 ILE 50 1HD1 ILE 50 1.511 13.520 -27.816 410 HD13 ILE 50 2HD1 ILE 50 1.078 11.818 -27.979 411 H ASN 51 H ASN 51 4.717 16.210 -30.120 412 HA ASN 51 HA ASN 51 3.567 17.445 -32.443 413 HB2 ASN 51 2HB ASN 51 5.063 18.443 -30.037 414 HB3 ASN 51 3HB ASN 51 4.773 19.511 -31.407 415 HD21 ASN 51 1HD2 ASN 51 2.975 17.158 -29.447 416 HD22 ASN 51 2HD2 ASN 51 1.561 18.135 -29.269 417 H GLU 52 H GLU 52 6.867 16.961 -31.217 418 HA GLU 52 HA GLU 52 8.168 18.229 -33.382 419 HB2 GLU 52 2HB GLU 52 9.116 17.630 -31.075 420 HB3 GLU 52 3HB GLU 52 9.366 16.017 -31.728 421 HG2 GLU 52 2HG GLU 52 10.741 17.024 -33.534 422 HG3 GLU 52 3HG GLU 52 10.583 18.581 -32.723 423 H ASN 53 H ASN 53 7.974 14.745 -32.627 424 HA ASN 53 HA ASN 53 8.889 13.934 -35.181 425 HB2 ASN 53 2HB ASN 53 7.321 12.353 -33.130 426 HB3 ASN 53 3HB ASN 53 8.219 11.677 -34.486 427 HD21 ASN 53 1HD2 ASN 53 8.336 12.599 -31.265 428 HD22 ASN 53 2HD2 ASN 53 10.044 12.485 -31.028 429 H ARG 54 H ARG 54 5.868 15.034 -34.075 430 HA ARG 54 HA ARG 54 3.829 15.257 -35.058 431 HB2 ARG 54 2HB ARG 54 5.296 14.510 -37.594 432 HB3 ARG 54 3HB ARG 54 3.726 15.297 -37.494 433 HG2 ARG 54 2HG ARG 54 6.164 16.544 -36.282 434 HG3 ARG 54 3HG ARG 54 5.784 16.737 -37.994 435 HD2 ARG 54 2HD ARG 54 3.615 17.686 -37.419 436 HD3 ARG 54 3HD ARG 54 3.956 17.455 -35.705 437 HE ARG 54 HE ARG 54 6.023 18.991 -36.674 438 HH11 ARG 54 1HH1 ARG 54 2.557 19.256 -36.473 439 HH12 ARG 54 2HH1 ARG 54 2.565 20.985 -36.367 440 HH21 ARG 54 1HH2 ARG 54 6.046 21.267 -36.535 441 HH22 ARG 54 2HH2 ARG 54 4.550 22.128 -36.403 442 H LEU 55 H LEU 55 4.157 12.899 -33.776 443 HA LEU 55 HA LEU 55 3.484 10.671 -35.468 444 HB2 LEU 55 2HB LEU 55 3.212 10.769 -32.480 445 HB3 LEU 55 3HB LEU 55 3.480 9.363 -33.507 446 HG LEU 55 HG LEU 55 5.495 11.543 -32.963 447 HD11 LEU 55 1HD1 LEU 55 5.431 8.699 -31.971 448 HD12 LEU 55 2HD1 LEU 55 4.993 10.110 -31.009 449 HD13 LEU 55 3HD1 LEU 55 6.643 9.926 -31.603 450 HD21 LEU 55 3HD2 LEU 55 6.949 9.558 -33.945 451 HD22 LEU 55 1HD2 LEU 55 6.198 10.767 -34.986 452 HD23 LEU 55 2HD2 LEU 55 5.436 9.191 -34.775 453 H ASN 56 H ASN 56 1.525 9.317 -34.924 454 HA ASN 56 HA ASN 56 -0.811 11.089 -34.696 455 HB2 ASN 56 2HB ASN 56 -0.167 9.281 -36.677 456 HB3 ASN 56 3HB ASN 56 -1.305 8.376 -35.682 457 HD21 ASN 56 1HD2 ASN 56 -3.174 9.982 -34.918 458 HD22 ASN 56 2HD2 ASN 56 -3.949 10.792 -36.232 459 H MET 57 H MET 57 -1.153 11.106 -32.504 460 HA MET 57 HA MET 57 -0.936 8.984 -30.735 461 HB2 MET 57 2HB MET 57 -2.930 11.253 -30.601 462 HB3 MET 57 3HB MET 57 -2.407 10.253 -29.252 463 HG2 MET 57 2HG MET 57 -0.115 11.102 -29.546 464 HG3 MET 57 3HG MET 57 -0.694 12.151 -30.837 465 HE1 MET 57 3HE MET 57 -1.054 10.975 -27.363 466 HE2 MET 57 1HE MET 57 -1.141 12.437 -26.379 467 HE3 MET 57 2HE MET 57 -2.616 11.726 -27.034 468 H ALA 58 H ALA 58 -3.420 9.695 -33.049 469 HA ALA 58 HA ALA 58 -5.603 8.332 -32.054 470 HB1 ALA 58 1HB ALA 58 -5.226 9.659 -34.288 471 HB2 ALA 58 2HB ALA 58 -4.954 8.045 -34.946 472 HB3 ALA 58 3HB ALA 58 -6.487 8.432 -34.165 473 H ASP 59 H ASP 59 -2.640 7.064 -33.379 474 HA ASP 59 HA ASP 59 -3.681 4.332 -33.002 475 HB2 ASP 59 2HB ASP 59 -1.638 3.824 -34.611 476 HB3 ASP 59 3HB ASP 59 -3.208 4.302 -35.252 477 HA PRO 60 HA PRO 60 -0.563 3.524 -30.027 478 HB2 PRO 60 2HB PRO 60 0.152 0.971 -30.608 479 HB3 PRO 60 3HB PRO 60 -1.399 1.390 -29.870 480 HG2 PRO 60 2HG PRO 60 -0.763 0.790 -32.734 481 HG3 PRO 60 3HG PRO 60 -2.141 0.251 -31.757 482 HD2 PRO 60 2HD PRO 60 -2.318 2.297 -33.521 483 HD3 PRO 60 3HD PRO 60 -3.271 2.242 -32.025 484 H ARG 61 H ARG 61 0.191 3.534 -33.348 485 HA ARG 61 HA ARG 61 2.845 2.728 -33.426 486 HB2 ARG 61 2HB ARG 61 1.603 4.996 -34.992 487 HB3 ARG 61 3HB ARG 61 3.059 4.110 -35.423 488 HG2 ARG 61 2HG ARG 61 0.330 2.864 -35.187 489 HG3 ARG 61 3HG ARG 61 1.040 3.438 -36.697 490 HD2 ARG 61 2HD ARG 61 2.548 1.511 -34.984 491 HD3 ARG 61 3HD ARG 61 1.244 0.925 -36.017 492 HE ARG 61 HE ARG 61 3.838 1.842 -36.849 493 HH11 ARG 61 1HH1 ARG 61 0.527 1.359 -37.808 494 HH12 ARG 61 2HH1 ARG 61 0.895 1.251 -39.498 495 HH21 ARG 61 1HH2 ARG 61 4.336 1.702 -39.071 496 HH22 ARG 61 2HH2 ARG 61 3.063 1.445 -40.215 497 H ALA 62 H ALA 62 1.442 5.771 -32.374 498 HA ALA 62 HA ALA 62 3.940 7.148 -32.144 499 HB1 ALA 62 1HB ALA 62 2.627 8.855 -30.944 500 HB2 ALA 62 2HB ALA 62 1.898 8.398 -32.484 501 HB3 ALA 62 3HB ALA 62 1.232 7.776 -30.974 502 H ARG 63 H ARG 63 1.982 5.159 -30.041 503 HA ARG 63 HA ARG 63 3.428 5.864 -27.651 504 HB2 ARG 63 2HB ARG 63 1.390 3.721 -28.257 505 HB3 ARG 63 3HB ARG 63 2.131 3.924 -26.675 506 HG2 ARG 63 2HG ARG 63 0.468 5.312 -26.202 507 HG3 ARG 63 3HG ARG 63 1.221 6.457 -27.314 508 HD2 ARG 63 2HD ARG 63 -0.993 6.293 -28.054 509 HD3 ARG 63 3HD ARG 63 -0.083 5.257 -29.153 510 HE ARG 63 HE ARG 63 -0.957 3.619 -27.117 511 HH11 ARG 63 1HH1 ARG 63 -2.410 5.678 -29.519 512 HH12 ARG 63 2HH1 ARG 63 -3.856 4.730 -29.645 513 HH21 ARG 63 1HH2 ARG 63 -2.855 2.363 -27.274 514 HH22 ARG 63 2HH2 ARG 63 -4.108 2.846 -28.367 515 H GLN 64 H GLN 64 3.661 3.470 -30.153 516 HA GLN 64 HA GLN 64 5.303 1.633 -28.715 517 HB2 GLN 64 2HB GLN 64 4.471 1.990 -31.554 518 HB3 GLN 64 3HB GLN 64 5.883 0.993 -31.229 519 HG2 GLN 64 2HG GLN 64 4.559 -0.430 -29.767 520 HG3 GLN 64 3HG GLN 64 3.143 0.580 -30.054 521 HE21 GLN 64 1HE2 GLN 64 2.672 -1.892 -30.582 522 HE22 GLN 64 2HE2 GLN 64 2.723 -2.254 -32.270 523 H TYR 65 H TYR 65 5.870 4.612 -30.317 524 HA TYR 65 HA TYR 65 8.718 4.121 -30.655 525 HB2 TYR 65 2HB TYR 65 7.735 5.370 -32.427 526 HB3 TYR 65 3HB TYR 65 6.934 6.465 -31.306 527 HD1 TYR 65 HD2 TYR 65 8.194 8.236 -30.183 528 HD2 TYR 65 HD1 TYR 65 10.065 5.653 -32.999 529 HE1 TYR 65 HE2 TYR 65 10.092 9.792 -30.341 530 HE2 TYR 65 HE1 TYR 65 11.968 7.201 -33.163 531 HH TYR 65 HH TYR 65 12.502 9.697 -30.969 532 H LEU 66 H LEU 66 6.529 5.738 -28.485 533 HA LEU 66 HA LEU 66 8.360 7.445 -27.198 534 HB2 LEU 66 2HB LEU 66 5.734 6.236 -26.442 535 HB3 LEU 66 3HB LEU 66 6.673 7.120 -25.240 536 HG LEU 66 HG LEU 66 5.972 8.387 -27.864 537 HD11 LEU 66 1HD1 LEU 66 4.211 8.029 -25.463 538 HD12 LEU 66 2HD1 LEU 66 3.833 7.760 -27.164 539 HD13 LEU 66 3HD1 LEU 66 4.027 9.403 -26.554 540 HD21 LEU 66 3HD2 LEU 66 5.965 9.962 -25.413 541 HD22 LEU 66 1HD2 LEU 66 6.797 10.245 -26.943 542 HD23 LEU 66 2HD2 LEU 66 7.514 9.181 -25.733 543 H MET 67 H MET 67 7.765 4.039 -26.938 544 HA MET 67 HA MET 67 8.749 3.485 -24.401 545 HB2 MET 67 2HB MET 67 8.997 1.249 -25.106 546 HB3 MET 67 3HB MET 67 7.672 1.887 -26.070 547 HG2 MET 67 2HG MET 67 9.300 2.289 -27.911 548 HG3 MET 67 3HG MET 67 10.516 1.458 -26.945 549 HE1 MET 67 3HE MET 67 10.242 -1.996 -27.588 550 HE2 MET 67 1HE MET 67 10.861 -0.658 -26.618 551 HE3 MET 67 2HE MET 67 9.459 -1.574 -26.064 552 H LYS 68 H LYS 68 10.442 4.270 -27.353 553 HA LYS 68 HA LYS 68 13.029 3.473 -26.428 554 HB2 LYS 68 2HB LYS 68 12.230 5.328 -28.679 555 HB3 LYS 68 3HB LYS 68 13.857 4.719 -28.402 556 HG2 LYS 68 2HG LYS 68 11.560 2.838 -28.782 557 HG3 LYS 68 3HG LYS 68 12.383 3.566 -30.164 558 HD2 LYS 68 2HD LYS 68 13.665 1.702 -29.965 559 HD3 LYS 68 3HD LYS 68 14.521 2.719 -28.804 560 HE2 LYS 68 2HE LYS 68 13.601 1.631 -26.979 561 HE3 LYS 68 3HE LYS 68 12.227 1.028 -27.903 562 HZ1 LYS 68 3HZ LYS 68 13.653 -0.795 -27.489 563 HZ2 LYS 68 1HZ LYS 68 15.026 0.055 -27.993 564 HZ3 LYS 68 2HZ LYS 68 13.852 -0.402 -29.122 565 H GLN 69 H GLN 69 11.059 6.288 -26.079 566 HA GLN 69 HA GLN 69 13.248 8.020 -25.328 567 HB2 GLN 69 2HB GLN 69 11.248 8.902 -26.484 568 HB3 GLN 69 3HB GLN 69 10.266 8.456 -25.095 569 HG2 GLN 69 2HG GLN 69 10.681 10.762 -24.901 570 HG3 GLN 69 3HG GLN 69 11.722 9.973 -23.717 571 HE21 GLN 69 1HE2 GLN 69 13.272 11.520 -23.599 572 HE22 GLN 69 2HE2 GLN 69 14.309 11.947 -24.913 573 H THR 70 H THR 70 11.082 5.835 -23.786 574 HA THR 70 HA THR 70 11.385 6.973 -21.148 575 HB THR 70 HB THR 70 10.444 4.195 -21.308 576 HG1 THR 70 HG1 THR 70 8.483 4.796 -22.349 577 HG21 THR 70 3HG2 THR 70 8.570 5.176 -20.000 578 HG22 THR 70 1HG2 THR 70 9.312 6.763 -20.195 579 HG23 THR 70 2HG2 THR 70 10.155 5.500 -19.299 580 H GLU 71 H GLU 71 12.534 4.074 -22.852 581 HA GLU 71 HA GLU 71 13.994 2.958 -20.746 582 HB2 GLU 71 2HB GLU 71 13.410 1.924 -23.012 583 HB3 GLU 71 3HB GLU 71 14.814 2.776 -23.639 584 HG2 GLU 71 2HG GLU 71 16.029 1.589 -21.641 585 HG3 GLU 71 3HG GLU 71 14.672 0.472 -21.767 586 H LYS 72 H LYS 72 15.214 4.926 -23.461 587 HA LYS 72 HA LYS 72 17.835 5.184 -22.556 588 HB2 LYS 72 2HB LYS 72 17.388 5.819 -24.788 589 HB3 LYS 72 3HB LYS 72 16.115 6.931 -24.304 590 HG2 LYS 72 2HG LYS 72 18.080 8.148 -25.011 591 HG3 LYS 72 3HG LYS 72 17.791 8.400 -23.288 592 HD2 LYS 72 2HD LYS 72 20.166 8.033 -23.754 593 HD3 LYS 72 3HD LYS 72 19.500 6.743 -22.749 594 HE2 LYS 72 2HE LYS 72 20.970 5.877 -24.517 595 HE3 LYS 72 3HE LYS 72 19.315 5.294 -24.685 596 HZ1 LYS 72 3HZ LYS 72 19.027 6.401 -26.606 597 HZ2 LYS 72 1HZ LYS 72 20.716 6.332 -26.689 598 HZ3 LYS 72 2HZ LYS 72 19.953 7.733 -26.126 599 H TYR 73 H TYR 73 14.968 6.566 -21.332 600 HA TYR 73 HA TYR 73 16.042 8.943 -20.213 601 HB2 TYR 73 2HB TYR 73 13.564 8.267 -20.595 602 HB3 TYR 73 3HB TYR 73 13.705 7.468 -19.033 603 HD1 TYR 73 HD1 TYR 73 13.836 10.732 -20.753 604 HD2 TYR 73 HD2 TYR 73 13.721 8.722 -17.005 605 HE1 TYR 73 HE1 TYR 73 13.378 12.870 -19.628 606 HE2 TYR 73 HE2 TYR 73 13.262 10.855 -15.869 607 HH TYR 73 HH TYR 73 13.597 13.871 -17.419 608 H PHE 74 H PHE 74 14.869 6.087 -18.436 609 HA PHE 74 HA PHE 74 16.780 6.673 -16.311 610 HB2 PHE 74 2HB PHE 74 14.392 4.839 -16.489 611 HB3 PHE 74 3HB PHE 74 15.504 4.806 -15.124 612 HD1 PHE 74 HD2 PHE 74 16.024 7.327 -14.230 613 HD2 PHE 74 HD1 PHE 74 12.462 6.008 -16.151 614 HE1 PHE 74 HE2 PHE 74 14.776 9.163 -13.169 615 HE2 PHE 74 HE1 PHE 74 11.209 7.843 -15.094 616 HZ PHE 74 HZ PHE 74 12.365 9.423 -13.600 617 H PHE 75 H PHE 75 15.777 3.900 -18.304 618 HA PHE 75 HA PHE 75 18.153 2.423 -17.512 619 HB2 PHE 75 2HB PHE 75 16.275 1.420 -19.605 620 HB3 PHE 75 3HB PHE 75 17.123 0.533 -18.343 621 HD1 PHE 75 HD2 PHE 75 16.381 1.571 -15.875 622 HD2 PHE 75 HD1 PHE 75 14.004 1.317 -19.397 623 HE1 PHE 75 HE2 PHE 75 14.343 1.583 -14.496 624 HE2 PHE 75 HE1 PHE 75 11.962 1.329 -18.024 625 HZ PHE 75 HZ PHE 75 12.130 1.461 -15.570 626 H GLY 76 H GLY 76 18.390 4.878 -19.111 627 HA2 GLY 76 2HA GLY 76 19.175 3.956 -21.756 628 HA3 GLY 76 3HA GLY 76 19.217 5.613 -21.173 629 H GLU 77 H GLU 77 21.249 6.284 -21.453 630 HA GLU 77 HA GLU 77 23.542 4.724 -21.491 631 HB2 GLU 77 2HB GLU 77 24.770 6.864 -21.067 632 HB3 GLU 77 3HB GLU 77 23.602 6.947 -22.378 633 HG2 GLU 77 2HG GLU 77 23.287 8.932 -21.221 634 HG3 GLU 77 3HG GLU 77 21.989 7.893 -20.635 635 H GLY 78 H GLY 78 21.741 5.958 -18.797 636 HA2 GLY 78 2HA GLY 78 22.821 4.275 -16.900 637 HA3 GLY 78 3HA GLY 78 23.814 5.724 -16.847 638 H ALA 79 H ALA 79 23.088 7.485 -15.780 639 HA ALA 79 HA ALA 79 21.855 8.669 -14.271 640 HB1 ALA 79 1HB ALA 79 20.584 8.886 -16.509 641 HB2 ALA 79 2HB ALA 79 19.394 7.825 -15.752 642 HB3 ALA 79 3HB ALA 79 19.778 9.383 -15.021 643 H ASP 80 H ASP 80 22.318 5.829 -13.698 644 HA ASP 80 HA ASP 80 19.900 5.019 -12.281 645 HB2 ASP 80 2HB ASP 80 21.344 3.414 -13.643 646 HB3 ASP 80 3HB ASP 80 22.528 3.541 -12.345 647 H GLN 81 H GLN 81 20.095 6.902 -10.828 648 HA GLN 81 HA GLN 81 22.071 6.445 -8.692 649 HB2 GLN 81 2HB GLN 81 20.579 9.021 -9.153 650 HB3 GLN 81 3HB GLN 81 22.026 8.760 -8.187 651 HG2 GLN 81 2HG GLN 81 23.332 8.371 -10.179 652 HG3 GLN 81 3HG GLN 81 21.890 8.508 -11.183 653 HE21 GLN 81 1HE2 GLN 81 24.432 10.057 -11.071 654 HE22 GLN 81 2HE2 GLN 81 23.941 11.706 -10.916 655 H ALA 82 H ALA 82 19.729 4.919 -8.788 656 HA ALA 82 HA ALA 82 18.318 5.943 -6.415 657 HB1 ALA 82 1HB ALA 82 16.245 5.491 -7.255 658 HB2 ALA 82 2HB ALA 82 17.080 5.925 -8.747 659 HB3 ALA 82 3HB ALA 82 16.834 4.228 -8.336 660 H SER 83 H SER 83 20.511 4.305 -6.197 661 HA SER 83 HA SER 83 19.291 1.753 -5.374 662 HB2 SER 83 2HB SER 83 21.805 2.270 -6.900 663 HB3 SER 83 3HB SER 83 21.786 0.925 -5.759 664 HG SER 83 HG SER 83 21.121 0.257 -7.830 665 H GLY 84 H GLY 84 19.217 1.725 -3.228 666 HA2 GLY 84 2HA GLY 84 21.654 2.383 -1.738 667 HA3 GLY 84 3HA GLY 84 20.176 3.232 -1.310 668 H TYR 85 H TYR 85 21.379 1.841 0.638 669 HA TYR 85 HA TYR 85 19.712 -0.575 0.907 670 HB2 TYR 85 2HB TYR 85 22.575 -0.128 1.427 671 HB3 TYR 85 3HB TYR 85 21.720 -0.967 2.717 672 HD1 TYR 85 HD1 TYR 85 20.216 -2.976 1.942 673 HD2 TYR 85 HD2 TYR 85 23.421 -1.359 -0.342 674 HE1 TYR 85 HE1 TYR 85 20.374 -5.083 0.683 675 HE2 TYR 85 HE2 TYR 85 23.587 -3.462 -1.608 676 HH TYR 85 HH TYR 85 22.970 -5.932 -1.161 677 H VAL 86 H VAL 86 19.447 -1.172 3.313 678 HA VAL 86 HA VAL 86 18.523 -0.676 5.333 679 HB VAL 86 HB VAL 86 20.054 1.921 5.176 680 HG11 VAL 86 1HG1 VAL 86 18.348 0.739 7.147 681 HG12 VAL 86 2HG1 VAL 86 19.991 0.859 7.780 682 HG13 VAL 86 3HG1 VAL 86 19.170 2.299 7.177 683 HG21 VAL 86 3HG2 VAL 86 20.950 -0.854 5.877 684 HG22 VAL 86 1HG2 VAL 86 21.710 0.321 4.804 685 HG23 VAL 86 2HG2 VAL 86 21.753 0.565 6.550 686 HA PRO 87 HA PRO 87 15.407 2.049 3.201 687 HB2 PRO 87 2HB PRO 87 13.351 0.291 3.438 688 HB3 PRO 87 3HB PRO 87 14.483 0.269 2.080 689 HG2 PRO 87 2HG PRO 87 14.446 -1.432 4.544 690 HG3 PRO 87 3HG PRO 87 14.743 -1.906 2.861 691 HD2 PRO 87 2HD PRO 87 16.745 -1.545 4.648 692 HD3 PRO 87 3HD PRO 87 16.936 -1.200 2.917 693 HA PRO 88 HA PRO 88 13.485 3.534 6.867 694 HB2 PRO 88 2HB PRO 88 11.010 4.240 6.004 695 HB3 PRO 88 3HB PRO 88 12.469 5.143 5.580 696 HG2 PRO 88 2HG PRO 88 10.971 3.104 3.980 697 HG3 PRO 88 3HG PRO 88 11.666 4.648 3.454 698 HD2 PRO 88 2HD PRO 88 12.890 2.274 3.012 699 HD3 PRO 88 3HD PRO 88 13.793 3.778 3.287 700 H ALA 89 H ALA 89 11.310 3.391 8.140 701 HA ALA 89 HA ALA 89 10.564 0.547 8.248 702 HB1 ALA 89 1HB ALA 89 10.430 2.629 10.426 703 HB2 ALA 89 2HB ALA 89 10.008 0.924 10.593 704 HB3 ALA 89 3HB ALA 89 11.674 1.391 10.254 705 H GLN 90 H GLN 90 8.419 -0.068 8.385 706 HA GLN 90 HA GLN 90 6.529 1.794 7.254 707 HB2 GLN 90 2HB GLN 90 6.105 -1.057 8.166 708 HB3 GLN 90 3HB GLN 90 5.009 -0.112 7.167 709 HG2 GLN 90 2HG GLN 90 6.082 -1.421 5.613 710 HG3 GLN 90 3HG GLN 90 7.020 0.070 5.554 711 HE21 GLN 90 1HE2 GLN 90 8.680 -1.286 4.626 712 HE22 GLN 90 2HE2 GLN 90 9.715 -2.196 5.668 713 H GLY 91 H GLY 91 5.973 3.335 8.734 714 HA2 GLY 91 2HA GLY 91 3.944 2.844 10.558 715 HA3 GLY 91 3HA GLY 91 5.443 2.788 11.473 Start of MODEL 10 1 H1 MET 1 H MET 1 -6.093 0.192 0.472 2 HA MET 1 HA MET 1 -3.604 1.714 0.448 3 HB2 MET 1 2HB MET 1 -4.315 -1.129 1.107 4 HB3 MET 1 3HB MET 1 -2.644 -0.672 0.801 5 HG2 MET 1 2HG MET 1 -4.218 0.906 2.768 6 HG3 MET 1 3HG MET 1 -3.636 -0.692 3.227 7 HE1 MET 1 3HE MET 1 -2.018 -1.002 4.416 8 HE2 MET 1 1HE MET 1 -0.337 -0.549 4.129 9 HE3 MET 1 2HE MET 1 -1.338 0.417 5.213 10 H ALA 2 H ALA 2 -1.923 1.323 -1.032 11 HA ALA 2 HA ALA 2 -2.769 -0.010 -3.522 12 HB1 ALA 2 1HB ALA 2 -2.729 2.341 -3.928 13 HB2 ALA 2 2HB ALA 2 -1.141 2.500 -3.176 14 HB3 ALA 2 3HB ALA 2 -1.310 1.639 -4.706 15 H ARG 3 H ARG 3 0.330 1.342 -2.427 16 HA ARG 3 HA ARG 3 1.510 -1.282 -2.166 17 HB2 ARG 3 2HB ARG 3 1.522 -0.250 -4.688 18 HB3 ARG 3 3HB ARG 3 3.039 0.380 -4.059 19 HG2 ARG 3 2HG ARG 3 3.911 -1.563 -4.704 20 HG3 ARG 3 3HG ARG 3 3.125 -2.240 -3.276 21 HD2 ARG 3 2HD ARG 3 1.089 -2.598 -4.743 22 HD3 ARG 3 3HD ARG 3 2.130 -2.220 -6.115 23 HE ARG 3 HE ARG 3 3.003 -4.318 -5.953 24 HH11 ARG 3 1HH1 ARG 3 1.535 -3.491 -2.907 25 HH12 ARG 3 2HH1 ARG 3 1.788 -5.057 -2.211 26 HH21 ARG 3 1HH2 ARG 3 3.342 -6.385 -5.048 27 HH22 ARG 3 2HH2 ARG 3 2.817 -6.702 -3.430 28 H MET 4 H MET 4 4.159 -0.669 -2.232 29 HA MET 4 HA MET 4 4.536 1.674 -0.519 30 HB2 MET 4 2HB MET 4 5.685 -1.008 0.240 31 HB3 MET 4 3HB MET 4 5.663 0.469 1.195 32 HG2 MET 4 2HG MET 4 3.034 0.126 0.882 33 HG3 MET 4 3HG MET 4 3.556 -1.553 0.771 34 HE1 MET 4 3HE MET 4 5.276 -2.502 2.269 35 HE2 MET 4 1HE MET 4 6.196 -1.350 3.237 36 HE3 MET 4 2HE MET 4 5.061 -2.451 4.020 37 H ILE 5 H ILE 5 5.884 2.798 -1.796 38 HA ILE 5 HA ILE 5 8.446 1.552 -2.476 39 HB ILE 5 HB ILE 5 8.464 2.470 -4.707 40 HG12 ILE 5 2HG1 ILE 5 5.734 3.202 -5.086 41 HG13 ILE 5 3HG1 ILE 5 6.348 4.096 -3.699 42 HG21 ILE 5 1HG2 ILE 5 5.829 1.056 -4.397 43 HG22 ILE 5 2HG2 ILE 5 6.955 0.987 -5.752 44 HG23 ILE 5 3HG2 ILE 5 7.380 0.236 -4.214 45 HD11 ILE 5 3HD1 ILE 5 8.031 5.119 -4.978 46 HD12 ILE 5 1HD1 ILE 5 7.798 4.002 -6.322 47 HD13 ILE 5 2HD1 ILE 5 6.564 5.207 -5.952 48 H HIS 6 H HIS 6 10.019 3.283 -3.292 49 HA HIS 6 HA HIS 6 9.790 5.590 -1.500 50 HB2 HIS 6 2HB HIS 6 12.266 5.836 -2.014 51 HB3 HIS 6 3HB HIS 6 11.804 4.393 -1.116 52 HD1 HIS 6 HD1 HIS 6 11.889 2.118 -2.418 53 HD2 HIS 6 HD2 HIS 6 13.406 5.381 -4.495 54 HE1 HIS 6 HE1 HIS 6 13.178 1.147 -4.346 55 H CYS 7 H CYS 7 8.679 7.147 -2.563 56 HA CYS 7 HA CYS 7 8.555 7.693 -5.239 57 HB2 CYS 7 2HB CYS 7 7.352 8.815 -3.225 58 HB3 CYS 7 3HB CYS 7 8.693 9.953 -3.264 59 HG CYS 7 HG CYS 7 5.994 10.342 -4.783 60 H ALA 8 H ALA 8 10.190 7.886 -6.620 61 HA ALA 8 HA ALA 8 12.793 8.745 -5.906 62 HB1 ALA 8 1HB ALA 8 11.706 7.408 -8.033 63 HB2 ALA 8 2HB ALA 8 12.141 8.963 -8.743 64 HB3 ALA 8 3HB ALA 8 13.368 7.990 -7.930 65 H LYS 9 H LYS 9 9.963 10.471 -6.517 66 HA LYS 9 HA LYS 9 11.299 12.839 -7.548 67 HB2 LYS 9 2HB LYS 9 8.984 12.060 -8.277 68 HB3 LYS 9 3HB LYS 9 8.413 12.607 -6.707 69 HG2 LYS 9 2HG LYS 9 9.943 14.469 -8.470 70 HG3 LYS 9 3HG LYS 9 8.228 14.172 -8.762 71 HD2 LYS 9 2HD LYS 9 8.065 14.648 -6.168 72 HD3 LYS 9 3HD LYS 9 9.566 15.527 -6.472 73 HE2 LYS 9 2HE LYS 9 8.080 17.204 -6.875 74 HE3 LYS 9 3HE LYS 9 8.144 16.498 -8.489 75 HZ1 LYS 9 3HZ LYS 9 6.207 15.073 -7.184 76 HZ2 LYS 9 1HZ LYS 9 5.953 16.295 -8.326 77 HZ3 LYS 9 2HZ LYS 9 5.949 16.666 -6.676 78 H LEU 10 H LEU 10 9.144 12.178 -4.779 79 HA LEU 10 HA LEU 10 9.801 14.550 -3.401 80 HB2 LEU 10 2HB LEU 10 8.815 11.999 -2.148 81 HB3 LEU 10 3HB LEU 10 8.599 13.646 -1.557 82 HG LEU 10 HG LEU 10 7.411 12.827 -4.179 83 HD11 LEU 10 1HD1 LEU 10 5.687 12.625 -1.801 84 HD12 LEU 10 2HD1 LEU 10 6.866 11.330 -2.007 85 HD13 LEU 10 3HD1 LEU 10 5.700 11.671 -3.285 86 HD21 LEU 10 3HD2 LEU 10 7.546 15.216 -3.026 87 HD22 LEU 10 1HD2 LEU 10 6.108 14.613 -2.201 88 HD23 LEU 10 2HD2 LEU 10 6.141 14.702 -3.963 89 H GLY 11 H GLY 11 10.710 11.183 -2.619 90 HA2 GLY 11 2HA GLY 11 13.145 10.783 -2.295 91 HA3 GLY 11 3HA GLY 11 13.155 12.273 -1.363 92 H LYS 12 H LYS 12 10.410 10.237 -1.014 93 HA LYS 12 HA LYS 12 11.511 8.915 1.347 94 HB2 LYS 12 2HB LYS 12 9.199 9.623 2.448 95 HB3 LYS 12 3HB LYS 12 10.633 10.634 2.573 96 HG2 LYS 12 2HG LYS 12 8.791 12.034 2.021 97 HG3 LYS 12 3HG LYS 12 9.821 11.910 0.593 98 HD2 LYS 12 2HD LYS 12 8.219 10.902 -0.613 99 HD3 LYS 12 3HD LYS 12 7.737 9.861 0.729 100 HE2 LYS 12 2HE LYS 12 6.742 12.097 1.682 101 HE3 LYS 12 3HE LYS 12 6.773 12.585 -0.011 102 HZ1 LYS 12 3HZ LYS 12 5.397 10.727 -0.581 103 HZ2 LYS 12 1HZ LYS 12 4.652 11.572 0.680 104 HZ3 LYS 12 2HZ LYS 12 5.459 10.121 0.997 105 H GLU 13 H GLU 13 9.327 7.747 2.385 106 HA GLU 13 HA GLU 13 8.642 5.823 0.349 107 HB2 GLU 13 2HB GLU 13 8.553 5.969 3.274 108 HB3 GLU 13 3HB GLU 13 7.171 5.139 2.573 109 HG2 GLU 13 2HG GLU 13 9.972 4.442 1.778 110 HG3 GLU 13 3HG GLU 13 9.223 3.756 3.219 111 H ALA 14 H ALA 14 6.932 5.962 -0.929 112 HA ALA 14 HA ALA 14 4.489 7.238 0.083 113 HB1 ALA 14 1HB ALA 14 5.740 7.784 -2.606 114 HB2 ALA 14 2HB ALA 14 4.156 8.357 -2.081 115 HB3 ALA 14 3HB ALA 14 5.613 8.915 -1.258 116 H GLU 15 H GLU 15 2.588 6.763 -1.381 117 HA GLU 15 HA GLU 15 2.272 3.987 -1.646 118 HB2 GLU 15 2HB GLU 15 0.676 6.363 -2.531 119 HB3 GLU 15 3HB GLU 15 0.216 4.755 -3.073 120 HG2 GLU 15 2HG GLU 15 0.484 4.302 -0.435 121 HG3 GLU 15 3HG GLU 15 -0.006 5.995 -0.415 122 H GLY 16 H GLY 16 2.475 2.594 -3.323 123 HA2 GLY 16 2HA GLY 16 3.914 3.566 -5.661 124 HA3 GLY 16 3HA GLY 16 3.662 1.885 -5.216 125 H LEU 17 H LEU 17 3.298 3.165 -7.808 126 HA LEU 17 HA LEU 17 0.704 3.747 -8.509 127 HB2 LEU 17 2HB LEU 17 3.032 2.581 -9.907 128 HB3 LEU 17 3HB LEU 17 1.465 2.371 -10.685 129 HG LEU 17 HG LEU 17 2.990 4.403 -11.292 130 HD11 LEU 17 1HD1 LEU 17 0.026 4.394 -10.854 131 HD12 LEU 17 2HD1 LEU 17 0.930 4.234 -12.359 132 HD13 LEU 17 3HD1 LEU 17 0.845 5.795 -11.544 133 HD21 LEU 17 3HD2 LEU 17 1.512 5.526 -8.918 134 HD22 LEU 17 1HD2 LEU 17 2.644 6.366 -9.979 135 HD23 LEU 17 2HD2 LEU 17 3.223 5.095 -8.901 136 H ASP 18 H ASP 18 2.216 0.524 -8.446 137 HA ASP 18 HA ASP 18 1.335 -1.560 -8.204 138 HB2 ASP 18 2HB ASP 18 0.158 -0.405 -6.270 139 HB3 ASP 18 3HB ASP 18 -1.234 -0.235 -7.336 140 H PHE 19 H PHE 19 0.995 0.052 -10.678 141 HA PHE 19 HA PHE 19 -0.720 -1.795 -12.059 142 HB2 PHE 19 2HB PHE 19 -1.565 1.032 -11.572 143 HB3 PHE 19 3HB PHE 19 -1.964 0.280 -13.113 144 HD1 PHE 19 HD1 PHE 19 -2.713 -2.383 -12.543 145 HD2 PHE 19 HD2 PHE 19 -3.400 1.108 -10.207 146 HE1 PHE 19 HE1 PHE 19 -4.669 -3.463 -11.511 147 HE2 PHE 19 HE2 PHE 19 -5.356 0.034 -9.171 148 HZ PHE 19 HZ PHE 19 -5.992 -2.255 -9.822 149 HA PRO 20 HA PRO 20 2.215 -0.956 -15.226 150 HB2 PRO 20 2HB PRO 20 0.827 -1.870 -17.373 151 HB3 PRO 20 3HB PRO 20 1.547 -2.943 -16.166 152 HG2 PRO 20 2HG PRO 20 -1.288 -2.018 -16.428 153 HG3 PRO 20 3HG PRO 20 -0.669 -3.638 -16.056 154 HD2 PRO 20 2HD PRO 20 -1.609 -1.964 -14.146 155 HD3 PRO 20 3HD PRO 20 -0.303 -3.126 -13.839 156 HA PRO 21 HA PRO 21 0.634 3.083 -16.490 157 HB2 PRO 21 2HB PRO 21 3.077 4.091 -17.112 158 HB3 PRO 21 3HB PRO 21 2.468 4.001 -15.455 159 HG2 PRO 21 2HG PRO 21 4.355 2.167 -16.882 160 HG3 PRO 21 3HG PRO 21 4.445 2.797 -15.227 161 HD2 PRO 21 2HD PRO 21 3.560 0.300 -15.790 162 HD3 PRO 21 3HD PRO 21 2.941 1.247 -14.422 163 H LEU 22 H LEU 22 3.140 1.280 -18.268 164 HA LEU 22 HA LEU 22 1.746 1.976 -20.764 165 HB2 LEU 22 2HB LEU 22 4.662 2.112 -20.118 166 HB3 LEU 22 3HB LEU 22 4.135 1.808 -21.772 167 HG LEU 22 HG LEU 22 4.648 4.152 -21.475 168 HD11 LEU 22 1HD1 LEU 22 2.773 3.479 -22.952 169 HD12 LEU 22 2HD1 LEU 22 2.607 5.108 -22.298 170 HD13 LEU 22 3HD1 LEU 22 1.661 3.785 -21.618 171 HD21 LEU 22 3HD2 LEU 22 3.926 5.465 -19.771 172 HD22 LEU 22 1HD2 LEU 22 3.886 3.914 -18.932 173 HD23 LEU 22 2HD2 LEU 22 2.401 4.595 -19.596 174 HA PRO 23 HA PRO 23 1.752 -2.310 -21.710 175 HB2 PRO 23 2HB PRO 23 1.961 -2.257 -24.416 176 HB3 PRO 23 3HB PRO 23 0.490 -1.785 -23.557 177 HG2 PRO 23 2HG PRO 23 2.650 -0.058 -24.704 178 HG3 PRO 23 3HG PRO 23 0.892 0.158 -24.770 179 HD2 PRO 23 2HD PRO 23 2.460 1.507 -23.023 180 HD3 PRO 23 3HD PRO 23 0.792 1.034 -22.641 181 H GLY 24 H GLY 24 4.468 -0.364 -22.268 182 HA2 GLY 24 2HA GLY 24 6.096 -2.526 -23.363 183 HA3 GLY 24 3HA GLY 24 6.612 -0.867 -23.095 184 H GLU 25 H GLU 25 8.349 -2.740 -22.365 185 HA GLU 25 HA GLU 25 8.053 -3.754 -19.743 186 HB2 GLU 25 2HB GLU 25 10.627 -3.134 -21.200 187 HB3 GLU 25 3HB GLU 25 10.430 -4.232 -19.842 188 HG2 GLU 25 2HG GLU 25 10.364 -5.789 -21.452 189 HG3 GLU 25 3HG GLU 25 8.671 -5.309 -21.563 190 H LEU 26 H LEU 26 9.479 -0.788 -21.023 191 HA LEU 26 HA LEU 26 10.739 0.198 -18.778 192 HB2 LEU 26 2HB LEU 26 10.791 1.232 -21.016 193 HB3 LEU 26 3HB LEU 26 9.135 1.786 -20.777 194 HG LEU 26 HG LEU 26 11.041 3.468 -20.443 195 HD11 LEU 26 1HD1 LEU 26 9.402 4.628 -19.512 196 HD12 LEU 26 2HD1 LEU 26 9.633 3.773 -17.988 197 HD13 LEU 26 3HD1 LEU 26 8.525 3.130 -19.200 198 HD21 LEU 26 3HD2 LEU 26 12.169 3.478 -18.355 199 HD22 LEU 26 1HD2 LEU 26 12.383 1.867 -19.040 200 HD23 LEU 26 2HD2 LEU 26 11.207 2.128 -17.752 201 H GLY 27 H GLY 27 7.318 0.071 -19.507 202 HA2 GLY 27 2HA GLY 27 6.456 1.875 -17.489 203 HA3 GLY 27 3HA GLY 27 5.461 0.667 -18.289 204 H LYS 28 H LYS 28 7.050 -1.598 -17.518 205 HA LYS 28 HA LYS 28 5.832 -2.261 -15.093 206 HB2 LYS 28 2HB LYS 28 8.304 -3.483 -16.335 207 HB3 LYS 28 3HB LYS 28 7.313 -4.224 -15.086 208 HG2 LYS 28 2HG LYS 28 5.391 -3.936 -16.812 209 HG3 LYS 28 3HG LYS 28 6.711 -3.801 -17.977 210 HD2 LYS 28 2HD LYS 28 7.514 -5.967 -17.458 211 HD3 LYS 28 3HD LYS 28 6.500 -6.075 -16.017 212 HE2 LYS 28 2HE LYS 28 5.454 -7.414 -17.660 213 HE3 LYS 28 3HE LYS 28 4.507 -5.930 -17.562 214 HZ1 LYS 28 3HZ LYS 28 5.224 -5.228 -19.601 215 HZ2 LYS 28 1HZ LYS 28 5.212 -6.900 -19.857 216 HZ3 LYS 28 2HZ LYS 28 6.670 -6.104 -19.539 217 H ARG 29 H ARG 29 8.821 -0.635 -15.766 218 HA ARG 29 HA ARG 29 9.768 -0.933 -13.027 219 HB2 ARG 29 2HB ARG 29 11.031 0.696 -15.230 220 HB3 ARG 29 3HB ARG 29 11.791 0.099 -13.761 221 HG2 ARG 29 2HG ARG 29 11.697 -2.158 -14.551 222 HG3 ARG 29 3HG ARG 29 10.735 -1.675 -15.950 223 HD2 ARG 29 2HD ARG 29 12.533 -0.650 -16.993 224 HD3 ARG 29 3HD ARG 29 13.425 -0.456 -15.484 225 HE ARG 29 HE ARG 29 13.190 -3.177 -15.909 226 HH11 ARG 29 1HH1 ARG 29 14.608 -0.444 -17.535 227 HH12 ARG 29 2HH1 ARG 29 15.874 -1.371 -18.269 228 HH21 ARG 29 1HH2 ARG 29 14.852 -4.409 -16.870 229 HH22 ARG 29 2HH2 ARG 29 16.011 -3.627 -17.891 230 H LEU 30 H LEU 30 7.962 1.255 -14.934 231 HA LEU 30 HA LEU 30 8.571 3.670 -13.584 232 HB2 LEU 30 2HB LEU 30 6.474 2.718 -15.442 233 HB3 LEU 30 3HB LEU 30 6.086 4.134 -14.466 234 HG LEU 30 HG LEU 30 8.420 3.886 -16.364 235 HD11 LEU 30 1HD1 LEU 30 7.194 4.895 -17.959 236 HD12 LEU 30 2HD1 LEU 30 6.294 5.875 -16.801 237 HD13 LEU 30 3HD1 LEU 30 5.839 4.194 -17.075 238 HD21 LEU 30 3HD2 LEU 30 7.694 6.550 -15.523 239 HD22 LEU 30 1HD2 LEU 30 9.261 5.743 -15.479 240 HD23 LEU 30 2HD2 LEU 30 8.128 5.540 -14.144 241 H TYR 31 H TYR 31 5.797 1.450 -13.283 242 HA TYR 31 HA TYR 31 4.576 2.758 -11.127 243 HB2 TYR 31 2HB TYR 31 3.089 1.020 -11.119 244 HB3 TYR 31 3HB TYR 31 3.813 0.743 -12.699 245 HD1 TYR 31 HD2 TYR 31 3.778 -0.379 -9.181 246 HD2 TYR 31 HD1 TYR 31 5.097 -1.214 -13.139 247 HE1 TYR 31 HE2 TYR 31 4.417 -2.649 -8.483 248 HE2 TYR 31 HE1 TYR 31 5.738 -3.487 -12.452 249 HH TYR 31 HH TYR 31 4.760 -4.868 -9.529 250 H GLU 32 H GLU 32 7.438 0.936 -11.255 251 HA GLU 32 HA GLU 32 7.360 0.290 -8.402 252 HB2 GLU 32 2HB GLU 32 9.529 -0.389 -10.389 253 HB3 GLU 32 3HB GLU 32 9.288 -1.084 -8.793 254 HG2 GLU 32 2HG GLU 32 7.317 -2.217 -9.498 255 HG3 GLU 32 3HG GLU 32 7.313 -1.365 -11.041 256 H SER 33 H SER 33 8.104 2.892 -10.191 257 HA SER 33 HA SER 33 10.262 3.719 -8.360 258 HB2 SER 33 2HB SER 33 11.030 5.234 -10.230 259 HB3 SER 33 3HB SER 33 11.248 3.511 -10.536 260 HG SER 33 HG SER 33 9.984 5.224 -12.046 261 H VAL 34 H VAL 34 7.485 4.753 -10.289 262 HA VAL 34 HA VAL 34 7.397 7.346 -9.001 263 HB VAL 34 HB VAL 34 6.761 7.157 -11.358 264 HG11 VAL 34 1HG1 VAL 34 5.622 5.364 -12.016 265 HG12 VAL 34 2HG1 VAL 34 5.169 4.967 -10.357 266 HG13 VAL 34 3HG1 VAL 34 4.188 6.093 -11.296 267 HG21 VAL 34 3HG2 VAL 34 5.769 8.899 -9.861 268 HG22 VAL 34 1HG2 VAL 34 4.790 8.506 -11.275 269 HG23 VAL 34 2HG2 VAL 34 4.351 7.865 -9.691 270 H SER 35 H SER 35 5.754 8.085 -7.639 271 HA SER 35 HA SER 35 4.280 5.946 -6.252 272 HB2 SER 35 2HB SER 35 4.932 8.670 -5.122 273 HB3 SER 35 3HB SER 35 4.398 7.233 -4.249 274 HG SER 35 HG SER 35 6.398 6.631 -4.121 275 H LYS 36 H LYS 36 2.460 7.391 -4.846 276 HA LYS 36 HA LYS 36 0.477 7.933 -6.817 277 HB2 LYS 36 2HB LYS 36 -0.035 6.947 -4.605 278 HB3 LYS 36 3HB LYS 36 0.407 8.469 -3.842 279 HG2 LYS 36 2HG LYS 36 -1.425 9.599 -4.896 280 HG3 LYS 36 3HG LYS 36 -1.815 8.165 -5.850 281 HD2 LYS 36 2HD LYS 36 -2.549 6.978 -3.948 282 HD3 LYS 36 3HD LYS 36 -1.821 8.146 -2.842 283 HE2 LYS 36 2HE LYS 36 -3.421 9.852 -3.727 284 HE3 LYS 36 3HE LYS 36 -4.211 8.562 -4.632 285 HZ1 LYS 36 3HZ LYS 36 -4.706 9.313 -2.023 286 HZ2 LYS 36 1HZ LYS 36 -3.907 7.826 -1.914 287 HZ3 LYS 36 2HZ LYS 36 -5.323 7.960 -2.829 288 H GLN 37 H GLN 37 2.822 9.849 -5.214 289 HA GLN 37 HA GLN 37 1.409 12.346 -5.703 290 HB2 GLN 37 2HB GLN 37 2.699 12.050 -3.617 291 HB3 GLN 37 3HB GLN 37 4.169 11.864 -4.565 292 HG2 GLN 37 2HG GLN 37 3.806 14.124 -3.542 293 HG3 GLN 37 3HG GLN 37 4.112 14.110 -5.278 294 HE21 GLN 37 1HE2 GLN 37 1.256 13.676 -3.211 295 HE22 GLN 37 2HE2 GLN 37 0.271 14.829 -4.039 296 H ALA 38 H ALA 38 4.531 10.892 -6.625 297 HA ALA 38 HA ALA 38 5.178 12.856 -8.549 298 HB1 ALA 38 1HB ALA 38 6.844 11.198 -9.348 299 HB2 ALA 38 2HB ALA 38 6.905 11.478 -7.608 300 HB3 ALA 38 3HB ALA 38 6.145 10.018 -8.240 301 H TRP 39 H TRP 39 2.916 10.333 -8.596 302 HA TRP 39 HA TRP 39 2.917 9.412 -11.195 303 HB2 TRP 39 2HB TRP 39 1.408 8.460 -9.592 304 HB3 TRP 39 3HB TRP 39 0.594 10.005 -9.356 305 HD1 TRP 39 HD1 TRP 39 -1.762 9.745 -10.317 306 HE1 TRP 39 HE1 TRP 39 -2.773 8.830 -12.500 307 HE3 TRP 39 HE3 TRP 39 2.496 7.927 -12.484 308 HZ2 TRP 39 HZ2 TRP 39 -1.883 7.511 -14.831 309 HZ3 TRP 39 HZ3 TRP 39 2.330 6.852 -14.691 310 HH2 TRP 39 HH2 TRP 39 0.185 6.649 -15.838 311 H GLN 40 H GLN 40 1.854 12.505 -9.958 312 HA GLN 40 HA GLN 40 0.626 13.284 -12.459 313 HB2 GLN 40 2HB GLN 40 1.227 14.928 -9.994 314 HB3 GLN 40 3HB GLN 40 0.227 15.433 -11.349 315 HG2 GLN 40 2HG GLN 40 -0.392 13.032 -9.653 316 HG3 GLN 40 3HG GLN 40 -1.002 14.649 -9.307 317 HE21 GLN 40 1HE2 GLN 40 -1.856 15.688 -11.503 318 HE22 GLN 40 2HE2 GLN 40 -3.018 14.704 -12.318 319 H ASP 41 H ASP 41 3.656 13.755 -10.775 320 HA ASP 41 HA ASP 41 4.636 15.880 -12.369 321 HB2 ASP 41 2HB ASP 41 5.546 15.219 -10.132 322 HB3 ASP 41 3HB ASP 41 6.254 13.796 -10.891 323 H TRP 42 H TRP 42 4.678 12.393 -12.706 324 HA TRP 42 HA TRP 42 6.546 12.378 -14.883 325 HB2 TRP 42 2HB TRP 42 5.136 10.420 -13.276 326 HB3 TRP 42 3HB TRP 42 5.080 9.997 -14.985 327 HD1 TRP 42 HD1 TRP 42 7.530 9.732 -16.228 328 HE1 TRP 42 HE1 TRP 42 9.768 8.902 -15.266 329 HE3 TRP 42 HE3 TRP 42 6.544 10.328 -11.247 330 HZ2 TRP 42 HZ2 TRP 42 10.958 8.545 -12.731 331 HZ3 TRP 42 HZ3 TRP 42 8.285 9.719 -9.619 332 HH2 TRP 42 HH2 TRP 42 10.445 8.845 -10.348 333 H LEU 43 H LEU 43 3.159 12.866 -14.554 334 HA LEU 43 HA LEU 43 2.438 12.115 -17.222 335 HB2 LEU 43 2HB LEU 43 1.053 13.653 -15.047 336 HB3 LEU 43 3HB LEU 43 0.342 13.457 -16.647 337 HG LEU 43 HG LEU 43 1.167 11.058 -15.057 338 HD11 LEU 43 1HD1 LEU 43 -0.581 12.909 -14.021 339 HD12 LEU 43 2HD1 LEU 43 -0.517 11.197 -13.603 340 HD13 LEU 43 3HD1 LEU 43 -1.647 11.762 -14.833 341 HD21 LEU 43 3HD2 LEU 43 -0.029 9.891 -16.571 342 HD22 LEU 43 1HD2 LEU 43 0.258 11.308 -17.580 343 HD23 LEU 43 2HD2 LEU 43 -1.269 11.138 -16.714 344 H LYS 44 H LYS 44 3.602 14.999 -15.670 345 HA LYS 44 HA LYS 44 2.793 16.987 -17.406 346 HB2 LYS 44 2HB LYS 44 4.458 16.872 -15.251 347 HB3 LYS 44 3HB LYS 44 5.607 17.177 -16.548 348 HG2 LYS 44 2HG LYS 44 3.166 18.847 -15.984 349 HG3 LYS 44 3HG LYS 44 4.806 19.234 -15.457 350 HD2 LYS 44 2HD LYS 44 5.536 19.318 -17.791 351 HD3 LYS 44 3HD LYS 44 3.899 18.919 -18.320 352 HE2 LYS 44 2HE LYS 44 3.350 21.040 -16.787 353 HE3 LYS 44 3HE LYS 44 4.997 21.457 -17.259 354 HZ1 LYS 44 3HZ LYS 44 3.405 20.550 -19.462 355 HZ2 LYS 44 1HZ LYS 44 4.343 21.950 -19.313 356 HZ3 LYS 44 2HZ LYS 44 2.758 21.927 -18.723 357 H GLN 45 H GLN 45 5.915 15.263 -17.582 358 HA GLN 45 HA GLN 45 6.637 16.261 -20.101 359 HB2 GLN 45 2HB GLN 45 8.254 14.374 -20.154 360 HB3 GLN 45 3HB GLN 45 8.297 15.286 -18.650 361 HG2 GLN 45 2HG GLN 45 8.268 13.252 -17.716 362 HG3 GLN 45 3HG GLN 45 6.530 13.369 -17.989 363 HE21 GLN 45 1HE2 GLN 45 9.503 12.354 -19.632 364 HE22 GLN 45 2HE2 GLN 45 8.805 10.984 -20.420 365 H GLN 46 H GLN 46 4.796 13.416 -19.153 366 HA GLN 46 HA GLN 46 4.737 11.997 -21.515 367 HB2 GLN 46 2HB GLN 46 3.201 12.087 -19.093 368 HB3 GLN 46 3HB GLN 46 2.115 11.897 -20.463 369 HG2 GLN 46 2HG GLN 46 4.342 10.149 -20.796 370 HG3 GLN 46 3HG GLN 46 3.669 9.933 -19.180 371 HE21 GLN 46 1HE2 GLN 46 2.852 7.908 -19.625 372 HE22 GLN 46 2HE2 GLN 46 1.494 7.656 -20.663 373 H THR 47 H THR 47 2.552 14.622 -20.521 374 HA THR 47 HA THR 47 1.170 14.644 -23.034 375 HB THR 47 HB THR 47 1.160 16.675 -20.792 376 HG1 THR 47 HG1 THR 47 -0.036 15.191 -19.882 377 HG21 THR 47 3HG2 THR 47 -0.958 17.442 -21.827 378 HG22 THR 47 1HG2 THR 47 -0.648 16.370 -23.192 379 HG23 THR 47 2HG2 THR 47 0.446 17.713 -22.858 380 H MET 48 H MET 48 3.683 16.618 -21.516 381 HA MET 48 HA MET 48 3.832 18.669 -23.387 382 HB2 MET 48 2HB MET 48 5.844 17.424 -21.541 383 HB3 MET 48 3HB MET 48 6.336 18.681 -22.668 384 HG2 MET 48 2HG MET 48 4.425 20.059 -21.673 385 HG3 MET 48 3HG MET 48 4.418 18.865 -20.378 386 HE1 MET 48 3HE MET 48 6.336 21.549 -22.295 387 HE2 MET 48 1HE MET 48 7.814 21.802 -21.366 388 HE3 MET 48 2HE MET 48 7.630 20.351 -22.351 389 H LEU 49 H LEU 49 5.331 15.470 -23.403 390 HA LEU 49 HA LEU 49 6.921 15.885 -25.711 391 HB2 LEU 49 2HB LEU 49 6.109 13.604 -24.036 392 HB3 LEU 49 3HB LEU 49 6.520 13.210 -25.704 393 HG LEU 49 HG LEU 49 8.676 14.637 -25.128 394 HD11 LEU 49 1HD1 LEU 49 7.857 13.527 -22.448 395 HD12 LEU 49 2HD1 LEU 49 7.906 15.236 -22.879 396 HD13 LEU 49 3HD1 LEU 49 9.397 14.295 -22.837 397 HD21 LEU 49 3HD2 LEU 49 8.172 12.037 -25.581 398 HD22 LEU 49 1HD2 LEU 49 8.768 11.945 -23.924 399 HD23 LEU 49 2HD2 LEU 49 9.773 12.664 -25.183 400 H ILE 50 H ILE 50 3.753 14.345 -25.233 401 HA ILE 50 HA ILE 50 3.321 13.662 -27.929 402 HB ILE 50 HB ILE 50 1.300 14.230 -25.757 403 HG12 ILE 50 2HG1 ILE 50 1.995 11.500 -26.754 404 HG13 ILE 50 3HG1 ILE 50 3.103 12.295 -25.641 405 HG21 ILE 50 1HG2 ILE 50 -0.269 12.954 -27.148 406 HG22 ILE 50 2HG2 ILE 50 0.280 14.423 -27.952 407 HG23 ILE 50 3HG2 ILE 50 0.948 12.860 -28.420 408 HD11 ILE 50 3HD1 ILE 50 1.856 11.518 -23.990 409 HD12 ILE 50 1HD1 ILE 50 0.584 12.624 -24.508 410 HD13 ILE 50 2HD1 ILE 50 0.612 10.967 -25.112 411 H ASN 51 H ASN 51 2.667 16.591 -26.098 412 HA ASN 51 HA ASN 51 1.183 17.832 -28.231 413 HB2 ASN 51 2HB ASN 51 2.191 18.747 -25.551 414 HB3 ASN 51 3HB ASN 51 1.548 19.906 -26.710 415 HD21 ASN 51 1HD2 ASN 51 0.627 16.633 -25.690 416 HD22 ASN 51 2HD2 ASN 51 -1.017 17.025 -25.332 417 H GLU 52 H GLU 52 4.491 17.623 -27.239 418 HA GLU 52 HA GLU 52 5.365 19.924 -28.737 419 HB2 GLU 52 2HB GLU 52 6.697 17.791 -27.127 420 HB3 GLU 52 3HB GLU 52 7.665 18.702 -28.277 421 HG2 GLU 52 2HG GLU 52 7.120 20.768 -27.181 422 HG3 GLU 52 3HG GLU 52 5.996 19.943 -26.103 423 H ASN 53 H ASN 53 5.687 16.397 -29.089 424 HA ASN 53 HA ASN 53 6.746 16.714 -31.776 425 HB2 ASN 53 2HB ASN 53 6.174 14.245 -30.123 426 HB3 ASN 53 3HB ASN 53 6.899 14.225 -31.728 427 HD21 ASN 53 1HD2 ASN 53 7.438 14.545 -28.404 428 HD22 ASN 53 2HD2 ASN 53 9.122 14.926 -28.466 429 H ARG 54 H ARG 54 3.729 16.610 -30.382 430 HA ARG 54 HA ARG 54 1.615 16.279 -31.156 431 HB2 ARG 54 2HB ARG 54 2.712 17.844 -32.928 432 HB3 ARG 54 3HB ARG 54 2.670 16.421 -33.960 433 HG2 ARG 54 2HG ARG 54 0.726 17.651 -34.452 434 HG3 ARG 54 3HG ARG 54 0.201 16.285 -33.466 435 HD2 ARG 54 2HD ARG 54 -0.006 17.657 -31.533 436 HD3 ARG 54 3HD ARG 54 0.800 19.007 -32.331 437 HE ARG 54 HE ARG 54 -1.570 18.222 -33.704 438 HH11 ARG 54 1HH1 ARG 54 -0.387 20.015 -30.965 439 HH12 ARG 54 2HH1 ARG 54 -1.755 21.076 -30.903 440 HH21 ARG 54 1HH2 ARG 54 -3.377 19.613 -33.633 441 HH22 ARG 54 2HH2 ARG 54 -3.455 20.846 -32.421 442 H LEU 55 H LEU 55 2.824 13.945 -30.491 443 HA LEU 55 HA LEU 55 2.678 12.020 -32.618 444 HB2 LEU 55 2HB LEU 55 2.818 11.582 -29.639 445 HB3 LEU 55 3HB LEU 55 3.107 10.370 -30.885 446 HG LEU 55 HG LEU 55 4.812 12.817 -30.428 447 HD11 LEU 55 1HD1 LEU 55 6.465 11.207 -29.554 448 HD12 LEU 55 2HD1 LEU 55 5.240 9.941 -29.633 449 HD13 LEU 55 3HD1 LEU 55 5.018 11.316 -28.551 450 HD21 LEU 55 3HD2 LEU 55 6.397 11.570 -31.900 451 HD22 LEU 55 1HD2 LEU 55 4.934 12.128 -32.712 452 HD23 LEU 55 2HD2 LEU 55 5.094 10.434 -32.250 453 H ASN 56 H ASN 56 1.293 10.039 -32.374 454 HA ASN 56 HA ASN 56 -1.442 10.874 -31.709 455 HB2 ASN 56 2HB ASN 56 -0.961 10.133 -34.046 456 HB3 ASN 56 3HB ASN 56 -0.553 8.540 -33.416 457 HD21 ASN 56 1HD2 ASN 56 -3.161 10.863 -32.784 458 HD22 ASN 56 2HD2 ASN 56 -4.450 9.744 -33.049 459 H MET 57 H MET 57 -1.588 10.418 -29.543 460 HA MET 57 HA MET 57 -0.566 8.216 -28.202 461 HB2 MET 57 2HB MET 57 -3.166 9.613 -27.560 462 HB3 MET 57 3HB MET 57 -2.151 8.709 -26.444 463 HG2 MET 57 2HG MET 57 -0.370 10.372 -26.745 464 HG3 MET 57 3HG MET 57 -1.429 11.288 -27.816 465 HE1 MET 57 3HE MET 57 -3.288 13.449 -26.135 466 HE2 MET 57 1HE MET 57 -3.424 12.205 -27.377 467 HE3 MET 57 2HE MET 57 -4.374 12.079 -25.896 468 H ALA 58 H ALA 58 -3.338 8.469 -30.270 469 HA ALA 58 HA ALA 58 -4.889 6.325 -29.466 470 HB1 ALA 58 1HB ALA 58 -4.909 6.300 -32.280 471 HB2 ALA 58 2HB ALA 58 -6.059 7.079 -31.193 472 HB3 ALA 58 3HB ALA 58 -4.663 7.976 -31.790 473 H ASP 59 H ASP 59 -1.829 6.341 -31.130 474 HA ASP 59 HA ASP 59 -1.967 3.413 -31.408 475 HB2 ASP 59 2HB ASP 59 -0.620 5.544 -32.999 476 HB3 ASP 59 3HB ASP 59 0.166 3.972 -32.893 477 HA PRO 60 HA PRO 60 1.215 2.800 -28.454 478 HB2 PRO 60 2HB PRO 60 2.683 0.811 -29.576 479 HB3 PRO 60 3HB PRO 60 1.070 0.552 -28.902 480 HG2 PRO 60 2HG PRO 60 1.893 0.933 -31.755 481 HG3 PRO 60 3HG PRO 60 0.733 -0.220 -31.070 482 HD2 PRO 60 2HD PRO 60 -0.039 2.072 -32.287 483 HD3 PRO 60 3HD PRO 60 -0.947 1.352 -30.943 484 H ARG 61 H ARG 61 1.970 3.897 -31.588 485 HA ARG 61 HA ARG 61 4.774 3.972 -31.513 486 HB2 ARG 61 2HB ARG 61 2.913 5.934 -32.866 487 HB3 ARG 61 3HB ARG 61 4.608 5.674 -33.251 488 HG2 ARG 61 2HG ARG 61 2.436 3.609 -33.541 489 HG3 ARG 61 3HG ARG 61 3.085 4.598 -34.851 490 HD2 ARG 61 2HD ARG 61 5.375 3.640 -34.097 491 HD3 ARG 61 3HD ARG 61 4.403 2.403 -33.299 492 HE ARG 61 HE ARG 61 3.900 1.510 -35.355 493 HH11 ARG 61 1HH1 ARG 61 5.352 4.646 -35.769 494 HH12 ARG 61 2HH1 ARG 61 5.531 4.481 -37.484 495 HH21 ARG 61 1HH2 ARG 61 4.129 1.281 -37.612 496 HH22 ARG 61 2HH2 ARG 61 4.834 2.567 -38.532 497 H ALA 62 H ALA 62 2.339 6.228 -30.313 498 HA ALA 62 HA ALA 62 4.295 8.171 -29.474 499 HB1 ALA 62 1HB ALA 62 2.535 9.539 -28.960 500 HB2 ALA 62 2HB ALA 62 1.774 8.491 -30.158 501 HB3 ALA 62 3HB ALA 62 1.505 8.205 -28.438 502 H ARG 63 H ARG 63 2.883 5.341 -28.153 503 HA ARG 63 HA ARG 63 3.390 6.081 -25.396 504 HB2 ARG 63 2HB ARG 63 2.727 3.296 -26.284 505 HB3 ARG 63 3HB ARG 63 2.295 4.118 -24.790 506 HG2 ARG 63 2HG ARG 63 1.118 4.564 -27.522 507 HG3 ARG 63 3HG ARG 63 0.326 3.862 -26.110 508 HD2 ARG 63 2HD ARG 63 1.187 6.711 -26.541 509 HD3 ARG 63 3HD ARG 63 -0.442 6.095 -26.267 510 HE ARG 63 HE ARG 63 1.530 6.714 -24.278 511 HH11 ARG 63 1HH1 ARG 63 -1.274 4.783 -25.006 512 HH12 ARG 63 2HH1 ARG 63 -1.731 4.587 -23.347 513 HH21 ARG 63 1HH2 ARG 63 0.938 6.463 -22.089 514 HH22 ARG 63 2HH2 ARG 63 -0.473 5.544 -21.688 515 H GLN 64 H GLN 64 4.923 4.301 -27.960 516 HA GLN 64 HA GLN 64 6.817 2.970 -26.251 517 HB2 GLN 64 2HB GLN 64 6.105 1.987 -28.394 518 HB3 GLN 64 3HB GLN 64 6.828 3.341 -29.251 519 HG2 GLN 64 2HG GLN 64 9.006 2.676 -28.691 520 HG3 GLN 64 3HG GLN 64 8.433 1.564 -27.448 521 HE21 GLN 64 1HE2 GLN 64 9.728 1.699 -30.425 522 HE22 GLN 64 2HE2 GLN 64 9.146 0.211 -31.081 523 H TYR 65 H TYR 65 6.611 6.000 -27.902 524 HA TYR 65 HA TYR 65 9.438 6.536 -27.855 525 HB2 TYR 65 2HB TYR 65 8.149 7.570 -29.597 526 HB3 TYR 65 3HB TYR 65 7.039 8.280 -28.430 527 HD1 TYR 65 HD1 TYR 65 10.549 8.385 -29.631 528 HD2 TYR 65 HD2 TYR 65 7.468 10.396 -27.493 529 HE1 TYR 65 HE1 TYR 65 11.929 10.420 -29.568 530 HE2 TYR 65 HE2 TYR 65 8.840 12.436 -27.425 531 HH TYR 65 HH TYR 65 11.953 12.615 -29.091 532 H LEU 66 H LEU 66 6.614 7.509 -25.959 533 HA LEU 66 HA LEU 66 7.818 9.390 -24.302 534 HB2 LEU 66 2HB LEU 66 5.489 7.549 -24.009 535 HB3 LEU 66 3HB LEU 66 6.043 8.466 -22.609 536 HG LEU 66 HG LEU 66 5.150 9.674 -25.226 537 HD11 LEU 66 1HD1 LEU 66 3.403 10.453 -23.242 538 HD12 LEU 66 2HD1 LEU 66 3.674 8.743 -22.905 539 HD13 LEU 66 3HD1 LEU 66 3.092 9.248 -24.492 540 HD21 LEU 66 3HD2 LEU 66 5.017 11.704 -23.585 541 HD22 LEU 66 1HD2 LEU 66 6.553 11.261 -24.332 542 HD23 LEU 66 2HD2 LEU 66 6.212 10.785 -22.668 543 H MET 67 H MET 67 7.845 5.886 -24.155 544 HA MET 67 HA MET 67 8.843 5.581 -21.548 545 HB2 MET 67 2HB MET 67 9.086 3.848 -24.005 546 HB3 MET 67 3HB MET 67 9.698 3.361 -22.430 547 HG2 MET 67 2HG MET 67 7.595 3.122 -21.532 548 HG3 MET 67 3HG MET 67 6.858 4.220 -22.697 549 HE1 MET 67 3HE MET 67 9.148 1.263 -24.489 550 HE2 MET 67 1HE MET 67 9.194 1.324 -22.727 551 HE3 MET 67 2HE MET 67 8.351 0.006 -23.541 552 H LYS 68 H LYS 68 10.362 6.542 -24.501 553 HA LYS 68 HA LYS 68 13.045 5.937 -23.738 554 HB2 LYS 68 2HB LYS 68 12.031 7.910 -25.793 555 HB3 LYS 68 3HB LYS 68 13.683 7.322 -25.658 556 HG2 LYS 68 2HG LYS 68 11.566 5.281 -25.950 557 HG3 LYS 68 3HG LYS 68 11.905 6.293 -27.355 558 HD2 LYS 68 2HD LYS 68 13.378 4.546 -27.674 559 HD3 LYS 68 3HD LYS 68 14.393 5.711 -26.820 560 HE2 LYS 68 2HE LYS 68 14.330 4.510 -24.843 561 HE3 LYS 68 3HE LYS 68 12.842 3.672 -25.280 562 HZ1 LYS 68 3HZ LYS 68 14.058 2.372 -26.885 563 HZ2 LYS 68 1HZ LYS 68 14.798 2.225 -25.370 564 HZ3 LYS 68 2HZ LYS 68 15.486 3.217 -26.555 565 H GLN 69 H GLN 69 10.864 8.554 -23.130 566 HA GLN 69 HA GLN 69 12.986 10.334 -22.239 567 HB2 GLN 69 2HB GLN 69 10.221 10.622 -23.046 568 HB3 GLN 69 3HB GLN 69 10.516 11.433 -21.514 569 HG2 GLN 69 2HG GLN 69 11.930 11.895 -24.126 570 HG3 GLN 69 3HG GLN 69 10.849 13.000 -23.278 571 HE21 GLN 69 1HE2 GLN 69 11.570 13.948 -21.317 572 HE22 GLN 69 2HE2 GLN 69 13.258 14.123 -20.990 573 H THR 70 H THR 70 10.637 8.137 -20.934 574 HA THR 70 HA THR 70 10.701 9.115 -18.254 575 HB THR 70 HB THR 70 10.071 6.288 -18.445 576 HG1 THR 70 HG1 THR 70 8.256 6.577 -19.839 577 HG21 THR 70 3HG2 THR 70 7.858 7.163 -17.612 578 HG22 THR 70 1HG2 THR 70 8.547 8.783 -17.710 579 HG23 THR 70 2HG2 THR 70 9.254 7.588 -16.623 580 H GLU 71 H GLU 71 12.205 6.308 -19.853 581 HA GLU 71 HA GLU 71 13.639 5.397 -17.621 582 HB2 GLU 71 2HB GLU 71 13.205 4.240 -19.888 583 HB3 GLU 71 3HB GLU 71 14.633 5.102 -20.443 584 HG2 GLU 71 2HG GLU 71 15.936 4.046 -18.637 585 HG3 GLU 71 3HG GLU 71 14.503 3.130 -18.174 586 H LYS 72 H LYS 72 14.747 7.386 -20.363 587 HA LYS 72 HA LYS 72 17.345 7.836 -19.479 588 HB2 LYS 72 2HB LYS 72 16.893 8.468 -21.690 589 HB3 LYS 72 3HB LYS 72 15.478 9.406 -21.231 590 HG2 LYS 72 2HG LYS 72 17.268 10.878 -21.890 591 HG3 LYS 72 3HG LYS 72 16.943 11.065 -20.165 592 HD2 LYS 72 2HD LYS 72 18.842 9.150 -20.093 593 HD3 LYS 72 3HD LYS 72 19.331 10.022 -21.548 594 HE2 LYS 72 2HE LYS 72 18.644 11.623 -19.146 595 HE3 LYS 72 3HE LYS 72 20.158 10.721 -19.118 596 HZ1 LYS 72 3HZ LYS 72 19.715 12.186 -21.558 597 HZ2 LYS 72 1HZ LYS 72 21.091 12.108 -20.577 598 HZ3 LYS 72 2HZ LYS 72 19.836 13.173 -20.190 599 H TYR 73 H TYR 73 14.393 9.020 -18.236 600 HA TYR 73 HA TYR 73 15.304 11.456 -17.110 601 HB2 TYR 73 2HB TYR 73 12.884 10.666 -17.472 602 HB3 TYR 73 3HB TYR 73 13.081 9.775 -15.966 603 HD1 TYR 73 HD1 TYR 73 14.104 13.206 -17.051 604 HD2 TYR 73 HD2 TYR 73 11.926 10.831 -14.273 605 HE1 TYR 73 HE1 TYR 73 13.523 15.232 -15.784 606 HE2 TYR 73 HE2 TYR 73 11.337 12.851 -12.999 607 HH TYR 73 HH TYR 73 11.646 15.930 -14.187 608 H PHE 74 H PHE 74 14.353 8.524 -15.324 609 HA PHE 74 HA PHE 74 16.257 9.234 -13.229 610 HB2 PHE 74 2HB PHE 74 13.779 8.522 -12.864 611 HB3 PHE 74 3HB PHE 74 14.389 6.888 -13.101 612 HD1 PHE 74 HD2 PHE 74 14.684 9.906 -10.994 613 HD2 PHE 74 HD1 PHE 74 15.543 5.757 -11.391 614 HE1 PHE 74 HE2 PHE 74 15.368 9.825 -8.632 615 HE2 PHE 74 HE1 PHE 74 16.227 5.669 -9.029 616 HZ PHE 74 HZ PHE 74 16.141 7.705 -7.646 617 H PHE 75 H PHE 75 15.391 6.407 -15.209 618 HA PHE 75 HA PHE 75 17.840 5.053 -14.437 619 HB2 PHE 75 2HB PHE 75 16.033 3.984 -16.559 620 HB3 PHE 75 3HB PHE 75 16.913 3.125 -15.299 621 HD1 PHE 75 HD1 PHE 75 16.086 4.202 -12.833 622 HD2 PHE 75 HD2 PHE 75 13.778 3.654 -16.367 623 HE1 PHE 75 HE1 PHE 75 14.037 4.094 -11.474 624 HE2 PHE 75 HE2 PHE 75 11.726 3.546 -15.014 625 HZ PHE 75 HZ PHE 75 11.853 3.767 -12.565 626 H GLY 76 H GLY 76 17.905 7.548 -16.034 627 HA2 GLY 76 2HA GLY 76 18.743 6.727 -18.682 628 HA3 GLY 76 3HA GLY 76 18.752 8.364 -18.043 629 H GLU 77 H GLU 77 20.756 9.121 -18.227 630 HA GLU 77 HA GLU 77 23.098 7.687 -18.440 631 HB2 GLU 77 2HB GLU 77 24.272 9.755 -17.857 632 HB3 GLU 77 3HB GLU 77 22.938 10.072 -18.957 633 HG2 GLU 77 2HG GLU 77 21.592 10.606 -16.833 634 HG3 GLU 77 3HG GLU 77 23.166 10.710 -16.044 635 H GLY 78 H GLY 78 21.404 8.718 -15.541 636 HA2 GLY 78 2HA GLY 78 23.554 7.806 -13.808 637 HA3 GLY 78 3HA GLY 78 22.035 8.527 -13.297 638 H ALA 79 H ALA 79 22.829 5.660 -15.258 639 HA ALA 79 HA ALA 79 21.208 4.066 -13.380 640 HB1 ALA 79 1HB ALA 79 20.260 4.465 -15.716 641 HB2 ALA 79 2HB ALA 79 21.536 3.389 -16.286 642 HB3 ALA 79 3HB ALA 79 20.329 2.798 -15.144 643 H ASP 80 H ASP 80 22.297 2.545 -12.336 644 HA ASP 80 HA ASP 80 24.961 1.801 -13.253 645 HB2 ASP 80 2HB ASP 80 24.356 2.440 -10.833 646 HB3 ASP 80 3HB ASP 80 23.641 0.834 -10.726 647 H GLN 81 H GLN 81 24.919 0.270 -14.790 648 HA GLN 81 HA GLN 81 23.436 -2.200 -14.193 649 HB2 GLN 81 2HB GLN 81 23.465 -0.559 -16.672 650 HB3 GLN 81 3HB GLN 81 23.461 -2.307 -16.865 651 HG2 GLN 81 2HG GLN 81 21.476 -0.987 -15.066 652 HG3 GLN 81 3HG GLN 81 21.221 -1.021 -16.810 653 HE21 GLN 81 1HE2 GLN 81 20.428 -2.812 -17.719 654 HE22 GLN 81 2HE2 GLN 81 20.139 -4.300 -16.890 655 H ALA 82 H ALA 82 24.286 -4.043 -15.661 656 HA ALA 82 HA ALA 82 27.140 -3.837 -16.212 657 HB1 ALA 82 1HB ALA 82 26.171 -4.951 -13.797 658 HB2 ALA 82 2HB ALA 82 26.784 -6.275 -14.789 659 HB3 ALA 82 3HB ALA 82 27.829 -4.909 -14.398 660 H SER 83 H SER 83 27.601 -4.859 -18.045 661 HA SER 83 HA SER 83 26.602 -7.402 -18.761 662 HB2 SER 83 2HB SER 83 24.593 -5.812 -19.153 663 HB3 SER 83 3HB SER 83 25.509 -5.240 -20.547 664 HG SER 83 HG SER 83 25.139 -7.997 -20.182 665 H GLY 84 H GLY 84 27.565 -8.223 -20.659 666 HA2 GLY 84 2HA GLY 84 29.918 -6.690 -21.492 667 HA3 GLY 84 3HA GLY 84 29.678 -8.417 -21.711 668 H TYR 85 H TYR 85 28.724 -9.171 -23.553 669 HA TYR 85 HA TYR 85 28.062 -7.135 -25.578 670 HB2 TYR 85 2HB TYR 85 29.736 -9.537 -25.670 671 HB3 TYR 85 3HB TYR 85 28.578 -9.442 -26.992 672 HD1 TYR 85 HD1 TYR 85 28.449 -6.948 -28.046 673 HD2 TYR 85 HD2 TYR 85 31.817 -8.648 -26.078 674 HE1 TYR 85 HE1 TYR 85 29.926 -5.379 -29.232 675 HE2 TYR 85 HE2 TYR 85 33.303 -7.083 -27.258 676 HH TYR 85 HH TYR 85 32.049 -4.840 -29.694 677 H VAL 86 H VAL 86 26.614 -8.071 -27.359 678 HA VAL 86 HA VAL 86 24.538 -9.788 -26.166 679 HB VAL 86 HB VAL 86 22.900 -8.417 -27.582 680 HG11 VAL 86 1HG1 VAL 86 22.694 -8.245 -25.260 681 HG12 VAL 86 2HG1 VAL 86 24.240 -7.412 -25.093 682 HG13 VAL 86 3HG1 VAL 86 22.859 -6.575 -25.802 683 HG21 VAL 86 3HG2 VAL 86 23.534 -6.514 -28.597 684 HG22 VAL 86 1HG2 VAL 86 24.625 -6.063 -27.287 685 HG23 VAL 86 2HG2 VAL 86 25.152 -7.211 -28.518 686 HA PRO 87 HA PRO 87 24.686 -12.224 -29.815 687 HB2 PRO 87 2HB PRO 87 22.093 -12.990 -30.060 688 HB3 PRO 87 3HB PRO 87 23.167 -13.622 -28.806 689 HG2 PRO 87 2HG PRO 87 21.104 -11.461 -28.620 690 HG3 PRO 87 3HG PRO 87 21.453 -12.776 -27.483 691 HD2 PRO 87 2HD PRO 87 22.338 -10.246 -27.100 692 HD3 PRO 87 3HD PRO 87 23.251 -11.669 -26.558 693 HA PRO 88 HA PRO 88 23.516 -9.989 -33.416 694 HB2 PRO 88 2HB PRO 88 22.859 -11.962 -35.161 695 HB3 PRO 88 3HB PRO 88 24.523 -11.636 -34.661 696 HG2 PRO 88 2HG PRO 88 22.623 -13.727 -33.673 697 HG3 PRO 88 3HG PRO 88 24.349 -13.874 -34.055 698 HD2 PRO 88 2HD PRO 88 23.435 -13.621 -31.519 699 HD3 PRO 88 3HD PRO 88 25.001 -12.967 -32.039 700 H ALA 89 H ALA 89 21.731 -9.949 -35.207 701 HA ALA 89 HA ALA 89 19.221 -9.637 -33.845 702 HB1 ALA 89 1HB ALA 89 19.397 -7.961 -35.362 703 HB2 ALA 89 2HB ALA 89 20.306 -8.944 -36.510 704 HB3 ALA 89 3HB ALA 89 18.558 -9.134 -36.378 705 H GLN 90 H GLN 90 17.863 -11.261 -33.506 706 HA GLN 90 HA GLN 90 17.911 -13.583 -35.279 707 HB2 GLN 90 2HB GLN 90 18.038 -13.848 -32.784 708 HB3 GLN 90 3HB GLN 90 16.391 -13.237 -32.692 709 HG2 GLN 90 2HG GLN 90 16.952 -15.551 -34.471 710 HG3 GLN 90 3HG GLN 90 16.902 -15.811 -32.728 711 HE21 GLN 90 1HE2 GLN 90 15.115 -16.263 -35.281 712 HE22 GLN 90 2HE2 GLN 90 13.535 -15.909 -34.678 713 H GLY 91 H GLY 91 15.852 -10.940 -34.289 714 HA2 GLY 91 2HA GLY 91 13.872 -11.837 -36.287 715 HA3 GLY 91 3HA GLY 91 13.369 -11.205 -34.726 Start of MODEL 11 1 H1 MET 1 H MET 1 -6.285 3.214 -1.398 2 HA MET 1 HA MET 1 -4.016 1.567 -0.926 3 HB2 MET 1 2HB MET 1 -6.264 0.876 -0.261 4 HB3 MET 1 3HB MET 1 -6.772 0.853 -1.944 5 HG2 MET 1 2HG MET 1 -4.579 -0.802 -1.937 6 HG3 MET 1 3HG MET 1 -5.351 -1.149 -0.391 7 HE1 MET 1 3HE MET 1 -6.758 -1.235 -4.543 8 HE2 MET 1 1HE MET 1 -5.113 -1.298 -3.908 9 HE3 MET 1 2HE MET 1 -5.984 -2.793 -4.249 10 H ALA 2 H ALA 2 -2.426 1.521 -2.397 11 HA ALA 2 HA ALA 2 -3.131 0.710 -5.128 12 HB1 ALA 2 1HB ALA 2 -2.588 2.729 -5.895 13 HB2 ALA 2 2HB ALA 2 -1.908 3.221 -4.343 14 HB3 ALA 2 3HB ALA 2 -0.919 2.324 -5.494 15 H ARG 3 H ARG 3 -0.057 1.598 -3.583 16 HA ARG 3 HA ARG 3 0.787 -1.119 -3.268 17 HB2 ARG 3 2HB ARG 3 1.041 -0.266 -5.819 18 HB3 ARG 3 3HB ARG 3 2.572 0.293 -5.159 19 HG2 ARG 3 2HG ARG 3 3.369 -1.742 -5.516 20 HG3 ARG 3 3HG ARG 3 2.307 -2.315 -4.228 21 HD2 ARG 3 2HD ARG 3 0.513 -2.602 -5.937 22 HD3 ARG 3 3HD ARG 3 1.700 -2.201 -7.178 23 HE ARG 3 HE ARG 3 1.386 -4.704 -5.869 24 HH11 ARG 3 1HH1 ARG 3 3.769 -2.561 -7.229 25 HH12 ARG 3 2HH1 ARG 3 4.891 -3.829 -7.594 26 HH21 ARG 3 1HH2 ARG 3 2.855 -6.383 -6.345 27 HH22 ARG 3 2HH2 ARG 3 4.370 -6.003 -7.092 28 H MET 4 H MET 4 3.423 -0.966 -3.062 29 HA MET 4 HA MET 4 4.043 1.416 -1.464 30 HB2 MET 4 2HB MET 4 5.216 -0.161 0.164 31 HB3 MET 4 3HB MET 4 3.459 -0.116 0.227 32 HG2 MET 4 2HG MET 4 3.240 -2.242 -0.479 33 HG3 MET 4 3HG MET 4 4.627 -2.140 -1.561 34 HE1 MET 4 3HE MET 4 5.054 -4.695 -0.792 35 HE2 MET 4 1HE MET 4 6.497 -3.753 -1.168 36 HE3 MET 4 2HE MET 4 6.479 -4.812 0.242 37 H ILE 5 H ILE 5 5.525 2.266 -2.841 38 HA ILE 5 HA ILE 5 7.955 0.673 -3.280 39 HB ILE 5 HB ILE 5 8.208 1.484 -5.531 40 HG12 ILE 5 2HG1 ILE 5 5.665 2.615 -6.105 41 HG13 ILE 5 3HG1 ILE 5 6.297 3.440 -4.684 42 HG21 ILE 5 1HG2 ILE 5 5.379 0.628 -5.650 43 HG22 ILE 5 2HG2 ILE 5 6.791 0.002 -6.498 44 HG23 ILE 5 3HG2 ILE 5 6.504 -0.442 -4.816 45 HD11 ILE 5 3HD1 ILE 5 8.443 3.730 -6.030 46 HD12 ILE 5 1HD1 ILE 5 7.473 3.275 -7.431 47 HD13 ILE 5 2HD1 ILE 5 7.046 4.704 -6.489 48 H HIS 6 H HIS 6 9.782 2.157 -4.083 49 HA HIS 6 HA HIS 6 9.772 4.551 -2.384 50 HB2 HIS 6 2HB HIS 6 12.292 4.408 -2.711 51 HB3 HIS 6 3HB HIS 6 11.555 3.111 -1.776 52 HD1 HIS 6 HD1 HIS 6 11.370 0.770 -2.958 53 HD2 HIS 6 HD2 HIS 6 13.549 3.626 -5.044 54 HE1 HIS 6 HE1 HIS 6 12.641 -0.505 -4.714 55 H CYS 7 H CYS 7 8.953 6.163 -3.629 56 HA CYS 7 HA CYS 7 9.118 6.579 -6.316 57 HB2 CYS 7 2HB CYS 7 9.082 9.085 -5.708 58 HB3 CYS 7 3HB CYS 7 7.761 8.077 -5.131 59 HG CYS 7 HG CYS 7 9.983 9.845 -3.408 60 H ALA 8 H ALA 8 10.888 6.365 -7.530 61 HA ALA 8 HA ALA 8 13.508 7.046 -6.617 62 HB1 ALA 8 1HB ALA 8 12.372 5.608 -8.796 63 HB2 ALA 8 2HB ALA 8 13.506 6.799 -9.433 64 HB3 ALA 8 3HB ALA 8 14.043 5.625 -8.232 65 H LYS 9 H LYS 9 10.983 8.909 -7.732 66 HA LYS 9 HA LYS 9 12.514 10.830 -9.239 67 HB2 LYS 9 2HB LYS 9 10.149 10.455 -9.750 68 HB3 LYS 9 3HB LYS 9 9.705 10.971 -8.128 69 HG2 LYS 9 2HG LYS 9 9.270 12.799 -9.544 70 HG3 LYS 9 3HG LYS 9 10.755 13.197 -8.677 71 HD2 LYS 9 2HD LYS 9 11.835 12.023 -10.812 72 HD3 LYS 9 3HD LYS 9 10.330 12.577 -11.548 73 HE2 LYS 9 2HE LYS 9 10.838 14.856 -10.615 74 HE3 LYS 9 3HE LYS 9 12.427 14.239 -10.164 75 HZ1 LYS 9 3HZ LYS 9 11.900 13.614 -12.861 76 HZ2 LYS 9 1HZ LYS 9 13.133 14.578 -12.219 77 HZ3 LYS 9 2HZ LYS 9 11.642 15.268 -12.620 78 H LEU 10 H LEU 10 11.270 10.524 -5.961 79 HA LEU 10 HA LEU 10 12.513 13.093 -5.263 80 HB2 LEU 10 2HB LEU 10 10.966 11.754 -3.184 81 HB3 LEU 10 3HB LEU 10 10.889 13.418 -3.761 82 HG LEU 10 HG LEU 10 9.585 11.088 -5.162 83 HD11 LEU 10 1HD1 LEU 10 8.236 13.140 -3.426 84 HD12 LEU 10 2HD1 LEU 10 8.700 11.539 -2.851 85 HD13 LEU 10 3HD1 LEU 10 7.529 11.701 -4.160 86 HD21 LEU 10 3HD2 LEU 10 8.357 12.828 -6.344 87 HD22 LEU 10 1HD2 LEU 10 10.094 13.013 -6.584 88 HD23 LEU 10 2HD2 LEU 10 9.242 14.071 -5.459 89 H GLY 11 H GLY 11 12.077 9.846 -3.836 90 HA2 GLY 11 2HA GLY 11 14.217 8.642 -3.355 91 HA3 GLY 11 3HA GLY 11 14.762 10.152 -2.638 92 H LYS 12 H LYS 12 11.594 8.600 -2.337 93 HA LYS 12 HA LYS 12 12.165 7.777 0.386 94 HB2 LYS 12 2HB LYS 12 9.990 9.017 1.102 95 HB3 LYS 12 3HB LYS 12 11.504 9.907 1.019 96 HG2 LYS 12 2HG LYS 12 10.767 10.515 -1.371 97 HG3 LYS 12 3HG LYS 12 9.165 9.993 -0.844 98 HD2 LYS 12 2HD LYS 12 10.590 11.834 0.971 99 HD3 LYS 12 3HD LYS 12 10.081 12.513 -0.577 100 HE2 LYS 12 2HE LYS 12 7.826 12.118 -0.144 101 HE3 LYS 12 3HE LYS 12 8.177 10.922 1.103 102 HZ1 LYS 12 3HZ LYS 12 7.378 13.100 1.954 103 HZ2 LYS 12 1HZ LYS 12 8.800 13.810 1.374 104 HZ3 LYS 12 2HZ LYS 12 8.877 12.628 2.581 105 H GLU 13 H GLU 13 9.650 7.260 1.290 106 HA GLU 13 HA GLU 13 8.835 5.108 -0.498 107 HB2 GLU 13 2HB GLU 13 8.743 5.604 2.376 108 HB3 GLU 13 3HB GLU 13 7.229 4.963 1.753 109 HG2 GLU 13 2HG GLU 13 8.310 3.026 0.895 110 HG3 GLU 13 3HG GLU 13 9.905 3.701 1.223 111 H ALA 14 H ALA 14 7.190 5.326 -1.848 112 HA ALA 14 HA ALA 14 4.884 6.948 -1.073 113 HB1 ALA 14 1HB ALA 14 4.914 7.802 -3.536 114 HB2 ALA 14 2HB ALA 14 5.908 8.597 -2.314 115 HB3 ALA 14 3HB ALA 14 6.639 7.448 -3.435 116 H GLU 15 H GLU 15 3.002 6.579 -2.498 117 HA GLU 15 HA GLU 15 2.408 3.889 -2.789 118 HB2 GLU 15 2HB GLU 15 1.192 6.338 -4.056 119 HB3 GLU 15 3HB GLU 15 0.534 4.727 -4.310 120 HG2 GLU 15 2HG GLU 15 -0.745 5.627 -2.584 121 HG3 GLU 15 3HG GLU 15 0.398 4.554 -1.778 122 H GLY 16 H GLY 16 2.012 2.603 -4.696 123 HA2 GLY 16 2HA GLY 16 3.945 3.225 -6.837 124 HA3 GLY 16 3HA GLY 16 3.472 1.602 -6.355 125 H LEU 17 H LEU 17 3.422 2.708 -9.010 126 HA LEU 17 HA LEU 17 0.975 3.601 -9.912 127 HB2 LEU 17 2HB LEU 17 3.155 1.972 -11.110 128 HB3 LEU 17 3HB LEU 17 1.630 2.095 -11.986 129 HG LEU 17 HG LEU 17 3.650 3.749 -12.428 130 HD11 LEU 17 1HD1 LEU 17 0.711 4.103 -12.536 131 HD12 LEU 17 2HD1 LEU 17 1.902 4.084 -13.836 132 HD13 LEU 17 3HD1 LEU 17 1.713 5.523 -12.835 133 HD21 LEU 17 3HD2 LEU 17 3.485 5.798 -11.207 134 HD22 LEU 17 1HD2 LEU 17 3.681 4.487 -10.044 135 HD23 LEU 17 2HD2 LEU 17 2.092 5.208 -10.300 136 H ASP 18 H ASP 18 2.006 0.270 -9.301 137 HA ASP 18 HA ASP 18 0.825 -1.644 -8.949 138 HB2 ASP 18 2HB ASP 18 -0.507 -0.065 -7.455 139 HB3 ASP 18 3HB ASP 18 -1.665 0.051 -8.777 140 H PHE 19 H PHE 19 1.216 -0.555 -11.624 141 HA PHE 19 HA PHE 19 -0.222 -2.415 -13.121 142 HB2 PHE 19 2HB PHE 19 -1.885 -0.335 -12.444 143 HB3 PHE 19 3HB PHE 19 -1.301 0.157 -14.030 144 HD1 PHE 19 HD2 PHE 19 -2.335 -3.079 -12.477 145 HD2 PHE 19 HD1 PHE 19 -2.775 -0.339 -15.705 146 HE1 PHE 19 HE2 PHE 19 -3.958 -4.594 -13.538 147 HE2 PHE 19 HE1 PHE 19 -4.399 -1.849 -16.770 148 HZ PHE 19 HZ PHE 19 -4.992 -3.981 -15.688 149 HA PRO 20 HA PRO 20 3.074 -1.268 -15.816 150 HB2 PRO 20 2HB PRO 20 2.305 -2.687 -17.999 151 HB3 PRO 20 3HB PRO 20 3.008 -3.440 -16.562 152 HG2 PRO 20 2HG PRO 20 0.134 -3.213 -17.368 153 HG3 PRO 20 3HG PRO 20 0.998 -4.604 -16.687 154 HD2 PRO 20 2HD PRO 20 -0.587 -2.999 -15.189 155 HD3 PRO 20 3HD PRO 20 0.856 -3.798 -14.533 156 HA PRO 21 HA PRO 21 1.201 2.182 -17.951 157 HB2 PRO 21 2HB PRO 21 3.533 3.250 -18.842 158 HB3 PRO 21 3HB PRO 21 2.970 3.427 -17.176 159 HG2 PRO 21 2HG PRO 21 4.979 1.515 -18.303 160 HG3 PRO 21 3HG PRO 21 5.048 2.454 -16.800 161 HD2 PRO 21 2HD PRO 21 4.373 -0.168 -16.851 162 HD3 PRO 21 3HD PRO 21 3.703 0.968 -15.663 163 H LEU 22 H LEU 22 3.097 -0.364 -19.272 164 HA LEU 22 HA LEU 22 1.819 -0.067 -21.836 165 HB2 LEU 22 2HB LEU 22 4.204 -0.301 -22.915 166 HB3 LEU 22 3HB LEU 22 3.511 1.277 -22.548 167 HG LEU 22 HG LEU 22 5.128 0.140 -20.383 168 HD11 LEU 22 1HD1 LEU 22 6.439 0.925 -22.982 169 HD12 LEU 22 2HD1 LEU 22 6.402 -0.697 -22.289 170 HD13 LEU 22 3HD1 LEU 22 7.266 0.597 -21.459 171 HD21 LEU 22 3HD2 LEU 22 5.535 2.768 -21.748 172 HD22 LEU 22 1HD2 LEU 22 5.735 2.344 -20.048 173 HD23 LEU 22 2HD2 LEU 22 4.117 2.508 -20.732 174 HA PRO 23 HA PRO 23 2.203 -4.437 -21.924 175 HB2 PRO 23 2HB PRO 23 2.480 -4.940 -24.577 176 HB3 PRO 23 3HB PRO 23 0.956 -4.411 -23.853 177 HG2 PRO 23 2HG PRO 23 3.016 -2.807 -25.318 178 HG3 PRO 23 3HG PRO 23 1.249 -2.744 -25.448 179 HD2 PRO 23 2HD PRO 23 2.669 -0.941 -24.011 180 HD3 PRO 23 3HD PRO 23 1.030 -1.448 -23.555 181 H GLY 24 H GLY 24 4.789 -2.452 -22.809 182 HA2 GLY 24 2HA GLY 24 6.607 -4.593 -23.535 183 HA3 GLY 24 3HA GLY 24 7.006 -2.888 -23.381 184 H GLU 25 H GLU 25 8.695 -4.837 -22.405 185 HA GLU 25 HA GLU 25 8.285 -5.445 -19.674 186 HB2 GLU 25 2HB GLU 25 10.844 -5.267 -21.273 187 HB3 GLU 25 3HB GLU 25 10.722 -5.943 -19.656 188 HG2 GLU 25 2HG GLU 25 9.007 -7.020 -21.845 189 HG3 GLU 25 3HG GLU 25 10.698 -7.503 -21.730 190 H LEU 26 H LEU 26 9.436 -2.629 -21.320 191 HA LEU 26 HA LEU 26 10.907 -1.434 -19.238 192 HB2 LEU 26 2HB LEU 26 10.972 -0.707 -21.591 193 HB3 LEU 26 3HB LEU 26 9.327 -0.096 -21.430 194 HG LEU 26 HG LEU 26 11.274 1.575 -21.322 195 HD11 LEU 26 1HD1 LEU 26 9.633 2.874 -20.600 196 HD12 LEU 26 2HD1 LEU 26 9.872 2.275 -18.959 197 HD13 LEU 26 3HD1 LEU 26 8.746 1.455 -20.040 198 HD21 LEU 26 3HD2 LEU 26 12.637 0.252 -19.748 199 HD22 LEU 26 1HD2 LEU 26 11.408 0.499 -18.508 200 HD23 LEU 26 2HD2 LEU 26 12.298 1.878 -19.154 201 H GLY 27 H GLY 27 7.492 -1.690 -19.851 202 HA2 GLY 27 2HA GLY 27 6.677 0.426 -18.115 203 HA3 GLY 27 3HA GLY 27 5.653 -0.858 -18.741 204 H LYS 28 H LYS 28 6.924 -3.093 -17.720 205 HA LYS 28 HA LYS 28 5.837 -3.291 -15.167 206 HB2 LYS 28 2HB LYS 28 6.380 -5.218 -16.625 207 HB3 LYS 28 3HB LYS 28 8.091 -4.941 -16.327 208 HG2 LYS 28 2HG LYS 28 7.559 -5.252 -13.864 209 HG3 LYS 28 3HG LYS 28 5.990 -5.864 -14.393 210 HD2 LYS 28 2HD LYS 28 8.618 -6.967 -15.371 211 HD3 LYS 28 3HD LYS 28 7.751 -7.616 -13.977 212 HE2 LYS 28 2HE LYS 28 6.494 -7.335 -16.697 213 HE3 LYS 28 3HE LYS 28 7.365 -8.783 -16.195 214 HZ1 LYS 28 3HZ LYS 28 5.793 -9.251 -14.563 215 HZ2 LYS 28 1HZ LYS 28 4.856 -8.742 -15.876 216 HZ3 LYS 28 2HZ LYS 28 5.143 -7.690 -14.584 217 H ARG 29 H ARG 29 8.894 -2.054 -16.197 218 HA ARG 29 HA ARG 29 10.026 -2.156 -13.516 219 HB2 ARG 29 2HB ARG 29 11.198 -0.928 -16.015 220 HB3 ARG 29 3HB ARG 29 12.047 -1.288 -14.518 221 HG2 ARG 29 2HG ARG 29 11.851 -3.634 -14.881 222 HG3 ARG 29 3HG ARG 29 10.762 -3.386 -16.246 223 HD2 ARG 29 2HD ARG 29 12.784 -1.991 -17.183 224 HD3 ARG 29 3HD ARG 29 13.710 -2.992 -16.066 225 HE ARG 29 HE ARG 29 12.605 -3.799 -18.555 226 HH11 ARG 29 1HH1 ARG 29 13.297 -4.922 -15.333 227 HH12 ARG 29 2HH1 ARG 29 13.444 -6.583 -15.803 228 HH21 ARG 29 1HH2 ARG 29 12.796 -5.983 -19.186 229 HH22 ARG 29 2HH2 ARG 29 13.160 -7.185 -17.995 230 H LEU 30 H LEU 30 8.238 -0.024 -15.496 231 HA LEU 30 HA LEU 30 9.129 2.407 -14.231 232 HB2 LEU 30 2HB LEU 30 7.124 1.670 -16.295 233 HB3 LEU 30 3HB LEU 30 6.899 3.192 -15.435 234 HG LEU 30 HG LEU 30 9.334 2.426 -17.046 235 HD11 LEU 30 1HD1 LEU 30 7.510 2.812 -18.530 236 HD12 LEU 30 2HD1 LEU 30 8.524 4.254 -18.544 237 HD13 LEU 30 3HD1 LEU 30 7.011 4.249 -17.637 238 HD21 LEU 30 3HD2 LEU 30 10.112 3.885 -15.404 239 HD22 LEU 30 1HD2 LEU 30 8.624 4.832 -15.404 240 HD23 LEU 30 2HD2 LEU 30 9.743 4.949 -16.762 241 H TYR 31 H TYR 31 6.109 0.517 -14.218 242 HA TYR 31 HA TYR 31 4.760 2.049 -12.305 243 HB2 TYR 31 2HB TYR 31 3.119 0.479 -12.455 244 HB3 TYR 31 3HB TYR 31 4.053 -0.029 -13.858 245 HD1 TYR 31 HD2 TYR 31 5.578 -1.988 -13.677 246 HD2 TYR 31 HD1 TYR 31 2.917 -0.915 -10.535 247 HE1 TYR 31 HE2 TYR 31 5.845 -4.227 -12.694 248 HE2 TYR 31 HE1 TYR 31 3.177 -3.150 -9.544 249 HH TYR 31 HH TYR 31 3.848 -5.345 -10.101 250 H GLU 32 H GLU 32 7.387 -0.107 -11.971 251 HA GLU 32 HA GLU 32 6.917 -0.435 -9.095 252 HB2 GLU 32 2HB GLU 32 8.472 -2.207 -9.123 253 HB3 GLU 32 3HB GLU 32 7.526 -2.404 -10.592 254 HG2 GLU 32 2HG GLU 32 9.327 -1.301 -11.863 255 HG3 GLU 32 3HG GLU 32 10.281 -1.213 -10.384 256 H SER 33 H SER 33 8.261 1.787 -11.029 257 HA SER 33 HA SER 33 10.431 2.389 -9.126 258 HB2 SER 33 2HB SER 33 10.255 2.973 -12.088 259 HB3 SER 33 3HB SER 33 11.482 3.666 -11.028 260 HG SER 33 HG SER 33 12.409 1.733 -10.802 261 H VAL 34 H VAL 34 7.904 3.755 -11.189 262 HA VAL 34 HA VAL 34 8.187 6.378 -9.981 263 HB VAL 34 HB VAL 34 7.662 6.228 -12.366 264 HG11 VAL 34 1HG1 VAL 34 4.980 5.595 -12.509 265 HG12 VAL 34 2HG1 VAL 34 6.321 4.566 -13.015 266 HG13 VAL 34 3HG1 VAL 34 5.631 4.388 -11.401 267 HG21 VAL 34 3HG2 VAL 34 6.872 8.142 -10.956 268 HG22 VAL 34 1HG2 VAL 34 5.940 7.878 -12.430 269 HG23 VAL 34 2HG2 VAL 34 5.297 7.352 -10.874 270 H SER 35 H SER 35 6.590 7.423 -8.758 271 HA SER 35 HA SER 35 4.746 5.586 -7.384 272 HB2 SER 35 2HB SER 35 4.860 7.081 -5.471 273 HB3 SER 35 3HB SER 35 6.496 6.653 -5.970 274 HG SER 35 HG SER 35 6.719 8.653 -6.911 275 H LYS 36 H LYS 36 2.891 7.010 -6.299 276 HA LYS 36 HA LYS 36 1.308 7.952 -8.479 277 HB2 LYS 36 2HB LYS 36 0.515 6.753 -6.350 278 HB3 LYS 36 3HB LYS 36 0.647 8.321 -5.564 279 HG2 LYS 36 2HG LYS 36 -1.057 9.248 -6.873 280 HG3 LYS 36 3HG LYS 36 -0.977 7.940 -8.056 281 HD2 LYS 36 2HD LYS 36 -2.128 6.468 -6.703 282 HD3 LYS 36 3HD LYS 36 -1.672 7.310 -5.221 283 HE2 LYS 36 2HE LYS 36 -3.125 9.220 -6.014 284 HE3 LYS 36 3HE LYS 36 -3.721 8.133 -7.267 285 HZ1 LYS 36 3HZ LYS 36 -4.100 6.603 -5.163 286 HZ2 LYS 36 1HZ LYS 36 -5.256 7.728 -5.674 287 HZ3 LYS 36 2HZ LYS 36 -4.218 8.104 -4.392 288 H GLN 37 H GLN 37 3.469 9.435 -6.272 289 HA GLN 37 HA GLN 37 2.332 12.090 -6.628 290 HB2 GLN 37 2HB GLN 37 3.199 11.497 -4.426 291 HB3 GLN 37 3HB GLN 37 4.780 11.160 -5.118 292 HG2 GLN 37 2HG GLN 37 4.834 13.298 -4.047 293 HG3 GLN 37 3HG GLN 37 4.951 13.528 -5.791 294 HE21 GLN 37 1HE2 GLN 37 4.321 15.738 -4.975 295 HE22 GLN 37 2HE2 GLN 37 2.631 16.090 -4.914 296 H ALA 38 H ALA 38 5.166 10.227 -7.593 297 HA ALA 38 HA ALA 38 6.424 12.414 -8.953 298 HB1 ALA 38 1HB ALA 38 7.989 10.725 -9.781 299 HB2 ALA 38 2HB ALA 38 7.746 10.583 -8.040 300 HB3 ALA 38 3HB ALA 38 6.955 9.450 -9.136 301 H TRP 39 H TRP 39 4.004 10.098 -9.747 302 HA TRP 39 HA TRP 39 4.265 9.793 -12.476 303 HB2 TRP 39 2HB TRP 39 2.579 8.562 -11.296 304 HB3 TRP 39 3HB TRP 39 1.774 10.043 -10.785 305 HD1 TRP 39 HD1 TRP 39 0.007 11.078 -12.403 306 HE1 TRP 39 HE1 TRP 39 -0.976 10.360 -14.671 307 HE3 TRP 39 HE3 TRP 39 3.284 7.328 -13.557 308 HZ2 TRP 39 HZ2 TRP 39 -0.435 8.455 -16.682 309 HZ3 TRP 39 HZ3 TRP 39 2.981 6.107 -15.672 310 HH2 TRP 39 HH2 TRP 39 1.160 6.660 -17.201 311 H GLN 40 H GLN 40 2.978 12.524 -10.670 312 HA GLN 40 HA GLN 40 1.854 13.932 -12.827 313 HB2 GLN 40 2HB GLN 40 2.993 14.897 -10.203 314 HB3 GLN 40 3HB GLN 40 2.151 15.943 -11.338 315 HG2 GLN 40 2HG GLN 40 0.877 13.456 -10.260 316 HG3 GLN 40 3HG GLN 40 0.830 14.981 -9.377 317 HE21 GLN 40 1HE2 GLN 40 0.368 16.855 -11.155 318 HE22 GLN 40 2HE2 GLN 40 -1.100 16.583 -12.023 319 H ASP 41 H ASP 41 5.130 13.751 -11.586 320 HA ASP 41 HA ASP 41 6.217 15.942 -12.971 321 HB2 ASP 41 2HB ASP 41 7.222 14.389 -11.099 322 HB3 ASP 41 3HB ASP 41 7.842 13.478 -12.473 323 H TRP 42 H TRP 42 5.778 12.561 -13.887 324 HA TRP 42 HA TRP 42 7.181 12.758 -16.354 325 HB2 TRP 42 2HB TRP 42 6.727 10.620 -15.126 326 HB3 TRP 42 3HB TRP 42 5.038 10.760 -15.605 327 HD1 TRP 42 HD1 TRP 42 7.868 11.589 -18.051 328 HE1 TRP 42 HE1 TRP 42 7.822 9.872 -19.968 329 HE3 TRP 42 HE3 TRP 42 4.335 8.394 -16.195 330 HZ2 TRP 42 HZ2 TRP 42 6.467 7.480 -20.608 331 HZ3 TRP 42 HZ3 TRP 42 3.720 6.415 -17.522 332 HH2 TRP 42 HH2 TRP 42 4.765 5.969 -19.683 333 H LEU 43 H LEU 43 3.818 13.165 -15.401 334 HA LEU 43 HA LEU 43 2.654 13.223 -17.946 335 HB2 LEU 43 2HB LEU 43 1.893 14.548 -15.357 336 HB3 LEU 43 3HB LEU 43 0.901 14.662 -16.809 337 HG LEU 43 HG LEU 43 1.582 12.135 -15.306 338 HD11 LEU 43 1HD1 LEU 43 -0.717 14.002 -15.290 339 HD12 LEU 43 2HD1 LEU 43 -0.049 13.009 -13.994 340 HD13 LEU 43 3HD1 LEU 43 -1.073 12.276 -15.228 341 HD21 LEU 43 3HD2 LEU 43 -0.077 12.585 -17.783 342 HD22 LEU 43 1HD2 LEU 43 -0.043 11.087 -16.853 343 HD23 LEU 43 2HD2 LEU 43 1.418 11.657 -17.660 344 H LYS 44 H LYS 44 4.517 15.590 -16.219 345 HA LYS 44 HA LYS 44 3.734 17.916 -17.572 346 HB2 LYS 44 2HB LYS 44 5.393 17.444 -15.523 347 HB3 LYS 44 3HB LYS 44 6.590 17.615 -16.801 348 HG2 LYS 44 2HG LYS 44 5.839 19.827 -17.302 349 HG3 LYS 44 3HG LYS 44 4.462 19.659 -16.210 350 HD2 LYS 44 2HD LYS 44 6.231 20.979 -15.176 351 HD3 LYS 44 3HD LYS 44 5.998 19.458 -14.311 352 HE2 LYS 44 2HE LYS 44 7.915 18.503 -15.521 353 HE3 LYS 44 3HE LYS 44 8.156 20.048 -16.336 354 HZ1 LYS 44 3HZ LYS 44 8.898 19.243 -13.676 355 HZ2 LYS 44 1HZ LYS 44 8.116 20.743 -13.726 356 HZ3 LYS 44 2HZ LYS 44 9.515 20.488 -14.641 357 H GLN 45 H GLN 45 6.492 15.750 -18.218 358 HA GLN 45 HA GLN 45 7.162 17.071 -20.664 359 HB2 GLN 45 2HB GLN 45 8.857 15.415 -20.916 360 HB3 GLN 45 3HB GLN 45 8.779 15.812 -19.204 361 HG2 GLN 45 2HG GLN 45 7.549 13.796 -18.744 362 HG3 GLN 45 3HG GLN 45 7.458 13.420 -20.463 363 HE21 GLN 45 1HE2 GLN 45 8.729 11.777 -20.908 364 HE22 GLN 45 2HE2 GLN 45 10.326 11.526 -20.299 365 H GLN 46 H GLN 46 5.222 14.300 -19.772 366 HA GLN 46 HA GLN 46 4.982 13.000 -22.204 367 HB2 GLN 46 2HB GLN 46 3.669 12.944 -19.689 368 HB3 GLN 46 3HB GLN 46 2.424 13.027 -20.927 369 HG2 GLN 46 2HG GLN 46 3.559 11.098 -22.059 370 HG3 GLN 46 3HG GLN 46 4.580 10.956 -20.629 371 HE21 GLN 46 1HE2 GLN 46 3.832 8.945 -20.061 372 HE22 GLN 46 2HE2 GLN 46 2.236 8.668 -19.462 373 H THR 47 H THR 47 3.050 15.702 -20.947 374 HA THR 47 HA THR 47 1.354 15.918 -23.199 375 HB THR 47 HB THR 47 2.098 18.015 -21.150 376 HG1 THR 47 HG1 THR 47 0.587 17.117 -19.951 377 HG21 THR 47 3HG2 THR 47 -0.140 18.990 -21.872 378 HG22 THR 47 1HG2 THR 47 -0.015 17.954 -23.293 379 HG23 THR 47 2HG2 THR 47 1.205 19.192 -22.994 380 H MET 48 H MET 48 4.246 17.764 -22.240 381 HA MET 48 HA MET 48 4.341 19.496 -24.414 382 HB2 MET 48 2HB MET 48 6.385 18.416 -22.520 383 HB3 MET 48 3HB MET 48 6.929 19.331 -23.920 384 HG2 MET 48 2HG MET 48 4.879 20.379 -21.994 385 HG3 MET 48 3HG MET 48 6.611 20.620 -21.776 386 HE1 MET 48 3HE MET 48 7.333 23.537 -22.897 387 HE2 MET 48 1HE MET 48 7.986 21.905 -22.748 388 HE3 MET 48 2HE MET 48 7.890 22.675 -24.332 389 H LEU 49 H LEU 49 5.630 16.225 -24.059 390 HA LEU 49 HA LEU 49 6.981 16.172 -26.556 391 HB2 LEU 49 2HB LEU 49 6.220 14.206 -24.480 392 HB3 LEU 49 3HB LEU 49 6.535 13.571 -26.094 393 HG LEU 49 HG LEU 49 8.456 13.584 -24.400 394 HD11 LEU 49 1HD1 LEU 49 9.365 15.019 -26.811 395 HD12 LEU 49 2HD1 LEU 49 8.411 13.560 -27.082 396 HD13 LEU 49 3HD1 LEU 49 9.895 13.479 -26.133 397 HD21 LEU 49 3HD2 LEU 49 7.862 16.097 -23.905 398 HD22 LEU 49 1HD2 LEU 49 8.929 16.389 -25.279 399 HD23 LEU 49 2HD2 LEU 49 9.533 15.532 -23.860 400 H ILE 50 H ILE 50 3.872 14.787 -25.501 401 HA ILE 50 HA ILE 50 3.095 13.742 -27.973 402 HB ILE 50 HB ILE 50 1.361 14.792 -25.734 403 HG12 ILE 50 2HG1 ILE 50 1.842 11.899 -26.342 404 HG13 ILE 50 3HG1 ILE 50 3.060 12.804 -25.449 405 HG21 ILE 50 1HG2 ILE 50 0.718 13.509 -28.323 406 HG22 ILE 50 2HG2 ILE 50 -0.187 12.968 -26.910 407 HG23 ILE 50 3HG2 ILE 50 -0.207 14.670 -27.371 408 HD11 ILE 50 3HD1 ILE 50 0.531 11.724 -24.564 409 HD12 ILE 50 1HD1 ILE 50 1.914 12.286 -23.625 410 HD13 ILE 50 2HD1 ILE 50 0.694 13.436 -24.173 411 H ASN 51 H ASN 51 2.705 16.969 -26.610 412 HA ASN 51 HA ASN 51 1.048 17.923 -28.742 413 HB2 ASN 51 2HB ASN 51 2.497 19.237 -26.457 414 HB3 ASN 51 3HB ASN 51 1.721 20.201 -27.710 415 HD21 ASN 51 1HD2 ASN 51 0.805 17.202 -26.054 416 HD22 ASN 51 2HD2 ASN 51 -0.726 17.777 -25.497 417 H GLU 52 H GLU 52 4.484 18.129 -27.935 418 HA GLU 52 HA GLU 52 5.204 19.875 -30.039 419 HB2 GLU 52 2HB GLU 52 6.633 19.498 -28.078 420 HB3 GLU 52 3HB GLU 52 6.888 17.832 -28.578 421 HG2 GLU 52 2HG GLU 52 8.337 18.397 -30.232 422 HG3 GLU 52 3HG GLU 52 7.576 19.961 -30.517 423 H ASN 53 H ASN 53 5.938 16.394 -29.744 424 HA ASN 53 HA ASN 53 6.565 16.104 -32.491 425 HB2 ASN 53 2HB ASN 53 5.826 13.980 -30.465 426 HB3 ASN 53 3HB ASN 53 6.597 13.691 -32.021 427 HD21 ASN 53 1HD2 ASN 53 7.032 14.584 -28.758 428 HD22 ASN 53 2HD2 ASN 53 8.747 14.794 -28.804 429 H ARG 54 H ARG 54 3.611 16.283 -30.834 430 HA ARG 54 HA ARG 54 1.440 16.049 -31.471 431 HB2 ARG 54 2HB ARG 54 2.588 15.935 -34.266 432 HB3 ARG 54 3HB ARG 54 0.913 16.265 -33.845 433 HG2 ARG 54 2HG ARG 54 3.136 18.004 -32.845 434 HG3 ARG 54 3HG ARG 54 2.429 18.237 -34.445 435 HD2 ARG 54 2HD ARG 54 0.202 18.439 -33.384 436 HD3 ARG 54 3HD ARG 54 0.976 18.315 -31.804 437 HE ARG 54 HE ARG 54 2.278 20.383 -32.932 438 HH11 ARG 54 1HH1 ARG 54 -1.104 19.645 -32.565 439 HH12 ARG 54 2HH1 ARG 54 -1.592 21.305 -32.489 440 HH21 ARG 54 1HH2 ARG 54 1.648 22.573 -32.833 441 HH22 ARG 54 2HH2 ARG 54 -0.026 22.970 -32.642 442 H LEU 55 H LEU 55 2.481 13.765 -30.535 443 HA LEU 55 HA LEU 55 2.123 11.585 -32.384 444 HB2 LEU 55 2HB LEU 55 2.416 11.519 -29.385 445 HB3 LEU 55 3HB LEU 55 2.584 10.152 -30.485 446 HG LEU 55 HG LEU 55 4.425 12.539 -30.327 447 HD11 LEU 55 1HD1 LEU 55 4.714 9.687 -29.403 448 HD12 LEU 55 2HD1 LEU 55 4.738 11.146 -28.413 449 HD13 LEU 55 3HD1 LEU 55 6.056 10.825 -29.539 450 HD21 LEU 55 3HD2 LEU 55 4.351 11.753 -32.586 451 HD22 LEU 55 1HD2 LEU 55 4.474 10.074 -32.061 452 HD23 LEU 55 2HD2 LEU 55 5.844 11.166 -31.852 453 H ASN 56 H ASN 56 0.659 9.730 -31.737 454 HA ASN 56 HA ASN 56 -1.965 10.821 -30.972 455 HB2 ASN 56 2HB ASN 56 -1.871 9.973 -33.270 456 HB3 ASN 56 3HB ASN 56 -1.310 8.410 -32.682 457 HD21 ASN 56 1HD2 ASN 56 -3.005 7.228 -33.430 458 HD22 ASN 56 2HD2 ASN 56 -4.616 7.378 -32.824 459 H MET 57 H MET 57 -1.880 10.501 -28.767 460 HA MET 57 HA MET 57 -0.900 8.312 -27.395 461 HB2 MET 57 2HB MET 57 -3.321 9.964 -26.650 462 HB3 MET 57 3HB MET 57 -2.362 8.980 -25.552 463 HG2 MET 57 2HG MET 57 -0.522 10.423 -25.687 464 HG3 MET 57 3HG MET 57 -1.157 11.232 -27.118 465 HE1 MET 57 3HE MET 57 -1.709 10.730 -23.186 466 HE2 MET 57 1HE MET 57 -3.217 11.629 -23.013 467 HE3 MET 57 2HE MET 57 -3.169 10.167 -23.999 468 H ALA 58 H ALA 58 -3.992 8.722 -29.008 469 HA ALA 58 HA ALA 58 -5.400 6.568 -27.964 470 HB1 ALA 58 1HB ALA 58 -5.472 7.755 -30.732 471 HB2 ALA 58 2HB ALA 58 -6.642 6.583 -30.125 472 HB3 ALA 58 3HB ALA 58 -6.503 8.167 -29.361 473 H ASP 59 H ASP 59 -2.738 6.621 -30.182 474 HA ASP 59 HA ASP 59 -3.091 3.755 -30.738 475 HB2 ASP 59 2HB ASP 59 -1.892 6.009 -32.235 476 HB3 ASP 59 3HB ASP 59 -1.037 4.473 -32.347 477 HA PRO 60 HA PRO 60 0.347 2.572 -28.286 478 HB2 PRO 60 2HB PRO 60 1.528 0.663 -29.813 479 HB3 PRO 60 3HB PRO 60 -0.015 0.414 -28.988 480 HG2 PRO 60 2HG PRO 60 0.511 1.117 -31.850 481 HG3 PRO 60 3HG PRO 60 -0.648 -0.045 -31.178 482 HD2 PRO 60 2HD PRO 60 -1.378 2.429 -32.002 483 HD3 PRO 60 3HD PRO 60 -2.182 1.594 -30.657 484 H ARG 61 H ARG 61 0.832 4.008 -31.341 485 HA ARG 61 HA ARG 61 3.623 3.910 -31.588 486 HB2 ARG 61 2HB ARG 61 1.750 6.115 -32.468 487 HB3 ARG 61 3HB ARG 61 3.386 5.855 -33.058 488 HG2 ARG 61 2HG ARG 61 1.296 3.728 -33.320 489 HG3 ARG 61 3HG ARG 61 1.420 5.043 -34.490 490 HD2 ARG 61 2HD ARG 61 3.954 4.349 -34.513 491 HD3 ARG 61 3HD ARG 61 3.317 2.816 -33.919 492 HE ARG 61 HE ARG 61 1.805 3.537 -36.137 493 HH11 ARG 61 1HH1 ARG 61 5.098 2.687 -35.395 494 HH12 ARG 61 2HH1 ARG 61 5.412 2.008 -36.958 495 HH21 ARG 61 1HH2 ARG 61 2.206 2.645 -38.198 496 HH22 ARG 61 2HH2 ARG 61 3.767 1.985 -38.551 497 H ALA 62 H ALA 62 1.510 6.156 -29.863 498 HA ALA 62 HA ALA 62 3.694 7.837 -29.023 499 HB1 ALA 62 1HB ALA 62 1.433 8.331 -27.416 500 HB2 ALA 62 2HB ALA 62 2.025 9.277 -28.783 501 HB3 ALA 62 3HB ALA 62 0.842 7.995 -29.044 502 H ARG 63 H ARG 63 2.189 4.971 -27.894 503 HA ARG 63 HA ARG 63 3.011 5.323 -25.138 504 HB2 ARG 63 2HB ARG 63 2.077 2.718 -26.291 505 HB3 ARG 63 3HB ARG 63 1.853 3.356 -24.668 506 HG2 ARG 63 2HG ARG 63 0.447 4.228 -27.180 507 HG3 ARG 63 3HG ARG 63 -0.250 3.390 -25.791 508 HD2 ARG 63 2HD ARG 63 0.753 6.219 -25.954 509 HD3 ARG 63 3HD ARG 63 -0.874 5.658 -25.571 510 HE ARG 63 HE ARG 63 1.293 5.982 -23.754 511 HH11 ARG 63 1HH1 ARG 63 -1.519 4.041 -24.423 512 HH12 ARG 63 2HH1 ARG 63 -1.762 3.590 -22.768 513 HH21 ARG 63 1HH2 ARG 63 0.983 5.395 -21.571 514 HH22 ARG 63 2HH2 ARG 63 -0.339 4.361 -21.147 515 H GLN 64 H GLN 64 4.247 3.931 -28.045 516 HA GLN 64 HA GLN 64 6.192 2.269 -26.687 517 HB2 GLN 64 2HB GLN 64 5.100 1.684 -28.899 518 HB3 GLN 64 3HB GLN 64 6.093 2.939 -29.627 519 HG2 GLN 64 2HG GLN 64 8.025 1.592 -28.419 520 HG3 GLN 64 3HG GLN 64 6.860 0.278 -28.576 521 HE21 GLN 64 1HE2 GLN 64 6.573 -0.669 -30.510 522 HE22 GLN 64 2HE2 GLN 64 7.390 -0.205 -31.960 523 H TYR 65 H TYR 65 5.957 5.484 -27.841 524 HA TYR 65 HA TYR 65 8.836 5.851 -28.033 525 HB2 TYR 65 2HB TYR 65 7.555 7.023 -29.681 526 HB3 TYR 65 3HB TYR 65 6.499 7.717 -28.455 527 HD1 TYR 65 HD1 TYR 65 7.249 9.586 -27.079 528 HD2 TYR 65 HD2 TYR 65 9.758 7.940 -30.096 529 HE1 TYR 65 HE1 TYR 65 8.695 11.571 -26.951 530 HE2 TYR 65 HE2 TYR 65 11.212 9.920 -29.975 531 HH TYR 65 HH TYR 65 11.771 11.704 -28.463 532 H LEU 66 H LEU 66 6.157 6.697 -25.917 533 HA LEU 66 HA LEU 66 7.474 8.522 -24.255 534 HB2 LEU 66 2HB LEU 66 5.127 6.712 -23.942 535 HB3 LEU 66 3HB LEU 66 5.776 7.521 -22.516 536 HG LEU 66 HG LEU 66 4.758 8.908 -24.996 537 HD11 LEU 66 1HD1 LEU 66 2.942 9.649 -23.416 538 HD12 LEU 66 2HD1 LEU 66 3.506 8.398 -22.309 539 HD13 LEU 66 3HD1 LEU 66 2.890 7.953 -23.900 540 HD21 LEU 66 3HD2 LEU 66 4.892 10.925 -23.553 541 HD22 LEU 66 1HD2 LEU 66 6.464 10.217 -23.926 542 HD23 LEU 66 2HD2 LEU 66 5.734 9.956 -22.342 543 H MET 67 H MET 67 7.257 4.994 -24.107 544 HA MET 67 HA MET 67 8.466 4.580 -21.636 545 HB2 MET 67 2HB MET 67 9.035 2.339 -22.472 546 HB3 MET 67 3HB MET 67 7.383 2.785 -22.880 547 HG2 MET 67 2HG MET 67 7.841 2.978 -25.121 548 HG3 MET 67 3HG MET 67 9.555 3.286 -24.853 549 HE1 MET 67 3HE MET 67 7.468 0.336 -26.489 550 HE2 MET 67 1HE MET 67 7.280 -0.610 -25.012 551 HE3 MET 67 2HE MET 67 6.698 1.054 -25.073 552 H LYS 68 H LYS 68 9.831 5.581 -24.647 553 HA LYS 68 HA LYS 68 12.547 4.910 -23.931 554 HB2 LYS 68 2HB LYS 68 11.518 6.646 -26.183 555 HB3 LYS 68 3HB LYS 68 13.155 6.024 -26.020 556 HG2 LYS 68 2HG LYS 68 10.838 4.142 -26.123 557 HG3 LYS 68 3HG LYS 68 11.490 4.842 -27.606 558 HD2 LYS 68 2HD LYS 68 12.764 2.949 -27.485 559 HD3 LYS 68 3HD LYS 68 13.780 4.047 -26.548 560 HE2 LYS 68 2HE LYS 68 13.268 3.041 -24.558 561 HE3 LYS 68 3HE LYS 68 11.681 2.508 -25.111 562 HZ1 LYS 68 3HZ LYS 68 12.676 0.765 -26.365 563 HZ2 LYS 68 1HZ LYS 68 13.323 0.693 -24.803 564 HZ3 LYS 68 2HZ LYS 68 14.237 1.344 -26.068 565 H GLN 69 H GLN 69 10.404 7.599 -23.575 566 HA GLN 69 HA GLN 69 12.511 9.511 -23.059 567 HB2 GLN 69 2HB GLN 69 9.508 9.620 -22.978 568 HB3 GLN 69 3HB GLN 69 10.480 10.932 -22.325 569 HG2 GLN 69 2HG GLN 69 10.484 9.930 -25.161 570 HG3 GLN 69 3HG GLN 69 9.810 11.449 -24.575 571 HE21 GLN 69 1HE2 GLN 69 11.547 12.688 -23.191 572 HE22 GLN 69 2HE2 GLN 69 13.070 12.882 -23.983 573 H THR 70 H THR 70 10.615 7.264 -21.271 574 HA THR 70 HA THR 70 11.133 8.560 -18.718 575 HB THR 70 HB THR 70 10.050 5.839 -18.623 576 HG1 THR 70 HG1 THR 70 8.927 7.784 -20.307 577 HG21 THR 70 3HG2 THR 70 8.352 6.964 -17.230 578 HG22 THR 70 1HG2 THR 70 9.070 8.522 -17.640 579 HG23 THR 70 2HG2 THR 70 9.996 7.341 -16.713 580 H GLU 71 H GLU 71 11.978 5.539 -20.387 581 HA GLU 71 HA GLU 71 13.550 4.404 -18.386 582 HB2 GLU 71 2HB GLU 71 12.782 3.281 -20.495 583 HB3 GLU 71 3HB GLU 71 14.030 4.167 -21.359 584 HG2 GLU 71 2HG GLU 71 14.691 2.412 -19.024 585 HG3 GLU 71 3HG GLU 71 14.523 1.763 -20.654 586 H LYS 72 H LYS 72 14.662 6.267 -21.219 587 HA LYS 72 HA LYS 72 17.348 6.428 -20.469 588 HB2 LYS 72 2HB LYS 72 16.662 6.963 -22.719 589 HB3 LYS 72 3HB LYS 72 15.668 8.296 -22.148 590 HG2 LYS 72 2HG LYS 72 17.690 9.159 -23.113 591 HG3 LYS 72 3HG LYS 72 17.708 9.444 -21.371 592 HD2 LYS 72 2HD LYS 72 18.921 7.008 -21.546 593 HD3 LYS 72 3HD LYS 72 19.468 7.787 -23.033 594 HE2 LYS 72 2HE LYS 72 19.575 9.497 -20.655 595 HE3 LYS 72 3HE LYS 72 20.630 8.086 -20.583 596 HZ1 LYS 72 3HZ LYS 72 20.708 9.499 -23.096 597 HZ2 LYS 72 1HZ LYS 72 21.977 8.922 -22.138 598 HZ3 LYS 72 2HZ LYS 72 21.257 10.410 -21.781 599 H TYR 73 H TYR 73 14.608 7.993 -19.174 600 HA TYR 73 HA TYR 73 15.845 10.365 -18.221 601 HB2 TYR 73 2HB TYR 73 13.323 9.801 -18.462 602 HB3 TYR 73 3HB TYR 73 13.495 9.063 -16.874 603 HD1 TYR 73 HD1 TYR 73 13.925 10.433 -14.903 604 HD2 TYR 73 HD2 TYR 73 13.445 12.205 -18.742 605 HE1 TYR 73 HE1 TYR 73 13.624 12.632 -13.844 606 HE2 TYR 73 HE2 TYR 73 13.144 14.409 -17.693 607 HH TYR 73 HH TYR 73 12.790 15.487 -15.743 608 H PHE 74 H PHE 74 14.605 7.672 -16.246 609 HA PHE 74 HA PHE 74 16.657 8.245 -14.252 610 HB2 PHE 74 2HB PHE 74 14.122 7.858 -13.782 611 HB3 PHE 74 3HB PHE 74 14.529 6.153 -13.937 612 HD1 PHE 74 HD1 PHE 74 15.425 9.238 -12.081 613 HD2 PHE 74 HD2 PHE 74 15.420 4.982 -12.136 614 HE1 PHE 74 HE1 PHE 74 16.174 9.211 -9.738 615 HE2 PHE 74 HE2 PHE 74 16.168 4.948 -9.792 616 HZ PHE 74 HZ PHE 74 16.545 7.064 -8.589 617 H PHE 75 H PHE 75 15.387 5.453 -16.055 618 HA PHE 75 HA PHE 75 17.408 3.664 -15.179 619 HB2 PHE 75 2HB PHE 75 15.658 3.488 -17.641 620 HB3 PHE 75 3HB PHE 75 16.559 2.162 -16.913 621 HD1 PHE 75 HD2 PHE 75 15.970 2.827 -14.022 622 HD2 PHE 75 HD1 PHE 75 13.476 2.630 -17.465 623 HE1 PHE 75 HE2 PHE 75 14.040 2.303 -12.590 624 HE2 PHE 75 HE1 PHE 75 11.541 2.106 -16.038 625 HZ PHE 75 HZ PHE 75 11.822 1.941 -13.597 626 H GLY 76 H GLY 76 17.571 6.281 -17.222 627 HA2 GLY 76 2HA GLY 76 19.833 5.115 -18.723 628 HA3 GLY 76 3HA GLY 76 18.833 6.433 -19.316 629 H GLU 77 H GLU 77 19.370 8.498 -18.830 630 HA GLU 77 HA GLU 77 21.944 9.161 -18.086 631 HB2 GLU 77 2HB GLU 77 21.193 11.441 -17.913 632 HB3 GLU 77 3HB GLU 77 20.335 10.670 -19.240 633 HG2 GLU 77 2HG GLU 77 18.348 10.476 -17.951 634 HG3 GLU 77 3HG GLU 77 19.185 10.968 -16.480 635 H GLY 78 H GLY 78 19.162 8.539 -16.079 636 HA2 GLY 78 2HA GLY 78 20.529 9.521 -13.690 637 HA3 GLY 78 3HA GLY 78 18.871 8.947 -13.776 638 H ALA 79 H ALA 79 21.819 7.337 -14.897 639 HA ALA 79 HA ALA 79 21.457 5.315 -12.794 640 HB1 ALA 79 1HB ALA 79 22.362 4.179 -15.314 641 HB2 ALA 79 2HB ALA 79 21.091 3.637 -14.217 642 HB3 ALA 79 3HB ALA 79 20.747 4.881 -15.418 643 H ASP 80 H ASP 80 23.479 3.612 -13.409 644 HA ASP 80 HA ASP 80 25.808 5.233 -12.785 645 HB2 ASP 80 2HB ASP 80 25.024 2.957 -11.686 646 HB3 ASP 80 3HB ASP 80 25.939 2.258 -13.019 647 H GLN 81 H GLN 81 27.950 4.369 -13.763 648 HA GLN 81 HA GLN 81 27.803 4.806 -16.580 649 HB2 GLN 81 2HB GLN 81 30.283 4.398 -16.486 650 HB3 GLN 81 3HB GLN 81 29.701 5.679 -15.431 651 HG2 GLN 81 2HG GLN 81 30.253 4.572 -13.549 652 HG3 GLN 81 3HG GLN 81 29.861 2.995 -14.231 653 HE21 GLN 81 1HE2 GLN 81 31.403 2.395 -16.107 654 HE22 GLN 81 2HE2 GLN 81 33.084 2.613 -15.771 655 H ALA 82 H ALA 82 26.414 2.993 -17.135 656 HA ALA 82 HA ALA 82 25.992 0.895 -17.923 657 HB1 ALA 82 1HB ALA 82 27.545 0.067 -19.431 658 HB2 ALA 82 2HB ALA 82 27.963 1.779 -19.347 659 HB3 ALA 82 3HB ALA 82 28.921 0.593 -18.460 660 H SER 83 H SER 83 26.452 1.053 -15.119 661 HA SER 83 HA SER 83 27.877 -1.453 -14.546 662 HB2 SER 83 2HB SER 83 28.349 0.815 -13.323 663 HB3 SER 83 3HB SER 83 26.894 0.413 -12.411 664 HG SER 83 HG SER 83 28.615 -0.452 -11.316 665 H GLY 84 H GLY 84 26.896 -3.114 -13.396 666 HA2 GLY 84 2HA GLY 84 25.102 -4.111 -12.195 667 HA3 GLY 84 3HA GLY 84 24.044 -2.830 -12.769 668 H TYR 85 H TYR 85 22.604 -4.664 -13.242 669 HA TYR 85 HA TYR 85 23.195 -6.640 -15.137 670 HB2 TYR 85 2HB TYR 85 21.118 -6.255 -13.523 671 HB3 TYR 85 3HB TYR 85 20.423 -5.552 -14.979 672 HD1 TYR 85 HD1 TYR 85 22.553 -8.555 -14.304 673 HD2 TYR 85 HD2 TYR 85 18.969 -7.015 -16.002 674 HE1 TYR 85 HE1 TYR 85 21.973 -10.806 -15.106 675 HE2 TYR 85 HE2 TYR 85 18.379 -9.262 -16.808 676 HH TYR 85 HH TYR 85 20.205 -11.570 -17.321 677 H VAL 86 H VAL 86 21.868 -6.776 -17.265 678 HA VAL 86 HA VAL 86 22.143 -4.222 -18.712 679 HB VAL 86 HB VAL 86 22.651 -5.705 -20.740 680 HG11 VAL 86 1HG1 VAL 86 24.637 -4.774 -20.402 681 HG12 VAL 86 2HG1 VAL 86 24.323 -4.653 -18.669 682 HG13 VAL 86 3HG1 VAL 86 25.055 -6.113 -19.334 683 HG21 VAL 86 3HG2 VAL 86 23.160 -7.903 -20.504 684 HG22 VAL 86 1HG2 VAL 86 23.791 -7.695 -18.870 685 HG23 VAL 86 2HG2 VAL 86 22.049 -7.764 -19.141 686 HA PRO 87 HA PRO 87 18.030 -4.716 -20.164 687 HB2 PRO 87 2HB PRO 87 18.202 -3.644 -22.652 688 HB3 PRO 87 3HB PRO 87 18.264 -2.669 -21.179 689 HG2 PRO 87 2HG PRO 87 20.509 -3.635 -22.907 690 HG3 PRO 87 3HG PRO 87 20.274 -2.042 -22.166 691 HD2 PRO 87 2HD PRO 87 21.933 -3.906 -21.115 692 HD3 PRO 87 3HD PRO 87 21.043 -2.744 -20.110 693 HA PRO 88 HA PRO 88 17.506 -8.314 -22.636 694 HB2 PRO 88 2HB PRO 88 15.236 -7.767 -24.021 695 HB3 PRO 88 3HB PRO 88 15.244 -8.119 -22.289 696 HG2 PRO 88 2HG PRO 88 15.125 -5.473 -23.683 697 HG3 PRO 88 3HG PRO 88 14.207 -6.038 -22.275 698 HD2 PRO 88 2HD PRO 88 16.367 -4.421 -22.053 699 HD3 PRO 88 3HD PRO 88 15.945 -5.625 -20.819 700 H ALA 89 H ALA 89 17.084 -5.300 -24.475 701 HA ALA 89 HA ALA 89 17.646 -4.710 -26.603 702 HB1 ALA 89 1HB ALA 89 19.891 -5.363 -25.462 703 HB2 ALA 89 2HB ALA 89 19.837 -6.740 -26.563 704 HB3 ALA 89 3HB ALA 89 19.839 -5.098 -27.205 705 H GLN 90 H GLN 90 15.539 -6.259 -26.769 706 HA GLN 90 HA GLN 90 16.016 -8.585 -28.420 707 HB2 GLN 90 2HB GLN 90 14.115 -8.187 -26.666 708 HB3 GLN 90 3HB GLN 90 13.310 -7.371 -27.999 709 HG2 GLN 90 2HG GLN 90 13.734 -9.510 -29.328 710 HG3 GLN 90 3HG GLN 90 14.095 -10.251 -27.770 711 HE21 GLN 90 1HE2 GLN 90 12.049 -11.189 -29.313 712 HE22 GLN 90 2HE2 GLN 90 10.535 -10.821 -28.567 713 H GLY 91 H GLY 91 14.267 -5.500 -28.844 714 HA2 GLY 91 2HA GLY 91 15.304 -5.006 -31.417 715 HA3 GLY 91 3HA GLY 91 13.744 -5.799 -31.578 Start of MODEL 12 1 H1 MET 1 H MET 1 -1.245 3.139 4.043 2 HA MET 1 HA MET 1 1.542 3.736 3.294 3 HB2 MET 1 2HB MET 1 0.961 2.514 5.545 4 HB3 MET 1 3HB MET 1 0.753 1.114 4.502 5 HG2 MET 1 2HG MET 1 3.241 2.695 4.203 6 HG3 MET 1 3HG MET 1 3.063 1.702 5.647 7 HE1 MET 1 3HE MET 1 4.815 0.403 5.454 8 HE2 MET 1 1HE MET 1 3.989 -1.151 5.340 9 HE3 MET 1 2HE MET 1 5.267 -0.746 4.193 10 H ALA 2 H ALA 2 0.986 3.784 1.071 11 HA ALA 2 HA ALA 2 -0.373 1.714 -0.272 12 HB1 ALA 2 1HB ALA 2 0.916 2.682 -2.297 13 HB2 ALA 2 2HB ALA 2 -0.264 3.696 -1.465 14 HB3 ALA 2 3HB ALA 2 1.459 3.909 -1.152 15 H ARG 3 H ARG 3 3.061 2.468 -0.795 16 HA ARG 3 HA ARG 3 3.690 -0.386 -0.521 17 HB2 ARG 3 2HB ARG 3 3.421 0.759 -2.979 18 HB3 ARG 3 3HB ARG 3 5.134 1.013 -2.675 19 HG2 ARG 3 2HG ARG 3 5.627 -1.197 -2.791 20 HG3 ARG 3 3HG ARG 3 4.059 -1.693 -2.153 21 HD2 ARG 3 2HD ARG 3 3.025 -1.067 -4.307 22 HD3 ARG 3 3HD ARG 3 4.625 -0.672 -4.933 23 HE ARG 3 HE ARG 3 5.026 -2.907 -5.219 24 HH11 ARG 3 1HH1 ARG 3 2.272 -2.499 -3.129 25 HH12 ARG 3 2HH1 ARG 3 1.867 -4.184 -3.118 26 HH21 ARG 3 1HH2 ARG 3 4.503 -5.127 -5.213 27 HH22 ARG 3 2HH2 ARG 3 3.137 -5.678 -4.303 28 H MET 4 H MET 4 6.329 -0.387 -1.091 29 HA MET 4 HA MET 4 7.540 1.715 0.558 30 HB2 MET 4 2HB MET 4 8.972 -0.130 1.599 31 HB3 MET 4 3HB MET 4 7.310 0.005 2.156 32 HG2 MET 4 2HG MET 4 6.690 -1.820 0.605 33 HG3 MET 4 3HG MET 4 8.393 -1.993 0.185 34 HE1 MET 4 3HE MET 4 8.938 -3.975 0.561 35 HE2 MET 4 1HE MET 4 9.569 -4.518 2.116 36 HE3 MET 4 2HE MET 4 7.975 -5.047 1.578 37 H ILE 5 H ILE 5 8.711 2.677 -1.018 38 HA ILE 5 HA ILE 5 10.827 1.072 -2.251 39 HB ILE 5 HB ILE 5 10.499 1.974 -4.433 40 HG12 ILE 5 2HG1 ILE 5 8.055 3.344 -4.366 41 HG13 ILE 5 3HG1 ILE 5 8.968 3.972 -2.998 42 HG21 ILE 5 1HG2 ILE 5 7.845 1.075 -3.320 43 HG22 ILE 5 2HG2 ILE 5 8.294 1.085 -5.025 44 HG23 ILE 5 3HG2 ILE 5 9.141 0.028 -3.896 45 HD11 ILE 5 3HD1 ILE 5 10.833 4.484 -4.509 46 HD12 ILE 5 1HD1 ILE 5 9.868 3.909 -5.868 47 HD13 ILE 5 2HD1 ILE 5 9.348 5.326 -4.954 48 H HIS 6 H HIS 6 12.443 2.566 -3.388 49 HA HIS 6 HA HIS 6 12.978 4.813 -1.584 50 HB2 HIS 6 2HB HIS 6 15.295 4.684 -2.612 51 HB3 HIS 6 3HB HIS 6 14.805 3.294 -1.649 52 HD1 HIS 6 HD1 HIS 6 14.248 1.091 -2.957 53 HD2 HIS 6 HD2 HIS 6 15.797 4.164 -5.285 54 HE1 HIS 6 HE1 HIS 6 14.929 0.015 -5.126 55 H CYS 7 H CYS 7 12.018 6.606 -2.353 56 HA CYS 7 HA CYS 7 11.354 7.265 -4.924 57 HB2 CYS 7 2HB CYS 7 10.822 8.527 -2.771 58 HB3 CYS 7 3HB CYS 7 12.385 9.312 -2.962 59 HG CYS 7 HG CYS 7 10.746 9.557 -5.789 60 H ALA 8 H ALA 8 12.655 7.096 -6.637 61 HA ALA 8 HA ALA 8 15.464 7.558 -6.545 62 HB1 ALA 8 1HB ALA 8 14.205 7.657 -9.188 63 HB2 ALA 8 2HB ALA 8 15.493 6.616 -8.580 64 HB3 ALA 8 3HB ALA 8 13.807 6.222 -8.242 65 H LYS 9 H LYS 9 12.855 9.655 -6.657 66 HA LYS 9 HA LYS 9 14.139 11.700 -8.263 67 HB2 LYS 9 2HB LYS 9 11.677 11.380 -8.301 68 HB3 LYS 9 3HB LYS 9 11.613 11.850 -6.607 69 HG2 LYS 9 2HG LYS 9 12.914 13.727 -8.494 70 HG3 LYS 9 3HG LYS 9 11.159 13.561 -8.579 71 HD2 LYS 9 2HD LYS 9 11.421 13.797 -5.934 72 HD3 LYS 9 3HD LYS 9 12.865 14.683 -6.429 73 HE2 LYS 9 2HE LYS 9 10.099 15.234 -7.491 74 HE3 LYS 9 3HE LYS 9 10.821 16.094 -6.132 75 HZ1 LYS 9 3HZ LYS 9 12.590 16.848 -7.582 76 HZ2 LYS 9 1HZ LYS 9 11.087 17.303 -8.213 77 HZ3 LYS 9 2HZ LYS 9 11.927 15.999 -8.887 78 H LEU 10 H LEU 10 13.327 11.147 -4.860 79 HA LEU 10 HA LEU 10 14.776 13.564 -4.093 80 HB2 LEU 10 2HB LEU 10 13.415 11.640 -2.234 81 HB3 LEU 10 3HB LEU 10 13.813 13.334 -1.957 82 HG LEU 10 HG LEU 10 11.846 12.616 -4.088 83 HD11 LEU 10 1HD1 LEU 10 10.687 13.214 -1.471 84 HD12 LEU 10 2HD1 LEU 10 11.482 11.643 -1.567 85 HD13 LEU 10 3HD1 LEU 10 10.189 12.047 -2.696 86 HD21 LEU 10 3HD2 LEU 10 11.102 14.793 -3.826 87 HD22 LEU 10 1HD2 LEU 10 12.839 14.951 -3.566 88 HD23 LEU 10 2HD2 LEU 10 11.741 14.924 -2.186 89 H GLY 11 H GLY 11 14.738 10.112 -3.176 90 HA2 GLY 11 2HA GLY 11 16.931 8.958 -3.299 91 HA3 GLY 11 3HA GLY 11 17.610 10.384 -2.530 92 H LYS 12 H LYS 12 14.524 9.443 -1.405 93 HA LYS 12 HA LYS 12 15.748 8.119 0.925 94 HB2 LYS 12 2HB LYS 12 13.286 9.859 1.035 95 HB3 LYS 12 3HB LYS 12 14.211 9.218 2.387 96 HG2 LYS 12 2HG LYS 12 15.150 11.243 2.430 97 HG3 LYS 12 3HG LYS 12 16.109 10.651 1.071 98 HD2 LYS 12 2HD LYS 12 15.313 12.572 0.138 99 HD3 LYS 12 3HD LYS 12 13.989 11.487 -0.293 100 HE2 LYS 12 2HE LYS 12 13.865 12.894 2.325 101 HE3 LYS 12 3HE LYS 12 13.556 13.829 0.862 102 HZ1 LYS 12 3HZ LYS 12 11.927 11.822 2.140 103 HZ2 LYS 12 1HZ LYS 12 12.056 11.632 0.464 104 HZ3 LYS 12 2HZ LYS 12 11.478 13.085 1.108 105 H GLU 13 H GLU 13 13.457 7.399 2.262 106 HA GLU 13 HA GLU 13 12.401 5.334 0.475 107 HB2 GLU 13 2HB GLU 13 13.034 5.489 3.319 108 HB3 GLU 13 3HB GLU 13 11.446 4.797 3.020 109 HG2 GLU 13 2HG GLU 13 12.654 3.298 1.316 110 HG3 GLU 13 3HG GLU 13 14.126 3.798 2.147 111 H ALA 14 H ALA 14 10.534 5.755 -0.486 112 HA ALA 14 HA ALA 14 8.412 7.064 1.074 113 HB1 ALA 14 1HB ALA 14 7.711 8.143 -1.135 114 HB2 ALA 14 2HB ALA 14 9.115 8.818 -0.306 115 HB3 ALA 14 3HB ALA 14 9.338 7.755 -1.696 116 H GLU 15 H GLU 15 6.232 6.787 -0.059 117 HA GLU 15 HA GLU 15 5.836 3.982 -0.503 118 HB2 GLU 15 2HB GLU 15 3.452 4.577 -0.694 119 HB3 GLU 15 3HB GLU 15 4.189 5.255 0.751 120 HG2 GLU 15 2HG GLU 15 4.527 7.264 -1.072 121 HG3 GLU 15 3HG GLU 15 2.966 6.586 -1.533 122 H GLY 16 H GLY 16 5.551 2.912 -2.373 123 HA2 GLY 16 2HA GLY 16 5.826 4.468 -4.849 124 HA3 GLY 16 3HA GLY 16 6.168 2.753 -4.671 125 H LEU 17 H LEU 17 4.662 3.654 -6.780 126 HA LEU 17 HA LEU 17 1.871 3.608 -6.293 127 HB2 LEU 17 2HB LEU 17 3.614 3.372 -8.697 128 HB3 LEU 17 3HB LEU 17 1.913 2.932 -8.835 129 HG LEU 17 HG LEU 17 1.236 5.166 -8.241 130 HD11 LEU 17 1HD1 LEU 17 4.171 5.786 -7.942 131 HD12 LEU 17 2HD1 LEU 17 3.008 5.646 -6.624 132 HD13 LEU 17 3HD1 LEU 17 2.842 6.938 -7.812 133 HD21 LEU 17 3HD2 LEU 17 2.735 6.393 -10.084 134 HD22 LEU 17 1HD2 LEU 17 1.463 5.242 -10.493 135 HD23 LEU 17 2HD2 LEU 17 3.147 4.718 -10.454 136 H ASP 18 H ASP 18 0.587 1.870 -7.739 137 HA ASP 18 HA ASP 18 1.625 -0.811 -7.178 138 HB2 ASP 18 2HB ASP 18 -1.060 0.242 -6.274 139 HB3 ASP 18 3HB ASP 18 -0.635 -1.467 -6.298 140 H PHE 19 H PHE 19 1.675 0.217 -9.652 141 HA PHE 19 HA PHE 19 0.182 -1.605 -11.169 142 HB2 PHE 19 2HB PHE 19 -1.406 0.513 -10.401 143 HB3 PHE 19 3HB PHE 19 -0.855 1.005 -11.999 144 HD1 PHE 19 HD1 PHE 19 -1.846 -2.273 -10.514 145 HD2 PHE 19 HD2 PHE 19 -2.478 0.623 -13.568 146 HE1 PHE 19 HE1 PHE 19 -3.541 -3.731 -11.541 147 HE2 PHE 19 HE2 PHE 19 -4.175 -0.830 -14.600 148 HZ PHE 19 HZ PHE 19 -4.708 -3.010 -13.586 149 HA PRO 20 HA PRO 20 3.432 -0.468 -13.919 150 HB2 PRO 20 2HB PRO 20 2.546 -1.755 -16.139 151 HB3 PRO 20 3HB PRO 20 3.255 -2.599 -14.758 152 HG2 PRO 20 2HG PRO 20 0.372 -2.220 -15.471 153 HG3 PRO 20 3HG PRO 20 1.196 -3.674 -14.878 154 HD2 PRO 20 2HD PRO 20 -0.280 -2.076 -13.266 155 HD3 PRO 20 3HD PRO 20 1.145 -2.962 -12.686 156 HA PRO 21 HA PRO 21 1.405 3.132 -15.741 157 HB2 PRO 21 2HB PRO 21 3.713 4.501 -16.155 158 HB3 PRO 21 3HB PRO 21 2.911 4.423 -14.582 159 HG2 PRO 21 2HG PRO 21 5.244 2.848 -15.598 160 HG3 PRO 21 3HG PRO 21 5.008 3.598 -14.009 161 HD2 PRO 21 2HD PRO 21 4.624 0.953 -14.442 162 HD3 PRO 21 3HD PRO 21 3.682 1.872 -13.251 163 H LEU 22 H LEU 22 3.651 0.898 -17.037 164 HA LEU 22 HA LEU 22 2.833 1.611 -19.738 165 HB2 LEU 22 2HB LEU 22 4.860 2.874 -19.492 166 HB3 LEU 22 3HB LEU 22 5.707 1.469 -18.848 167 HG LEU 22 HG LEU 22 4.971 0.534 -21.280 168 HD11 LEU 22 1HD1 LEU 22 5.952 3.063 -22.269 169 HD12 LEU 22 2HD1 LEU 22 4.395 3.246 -21.462 170 HD13 LEU 22 3HD1 LEU 22 4.568 2.106 -22.796 171 HD21 LEU 22 3HD2 LEU 22 7.327 1.332 -21.968 172 HD22 LEU 22 1HD2 LEU 22 7.169 0.240 -20.591 173 HD23 LEU 22 2HD2 LEU 22 7.423 1.965 -20.324 174 HA PRO 23 HA PRO 23 2.598 -2.782 -20.041 175 HB2 PRO 23 2HB PRO 23 2.427 -2.982 -22.743 176 HB3 PRO 23 3HB PRO 23 1.086 -2.426 -21.734 177 HG2 PRO 23 2HG PRO 23 3.049 -0.823 -23.327 178 HG3 PRO 23 3HG PRO 23 1.297 -0.607 -23.167 179 HD2 PRO 23 2HD PRO 23 3.081 0.893 -21.789 180 HD3 PRO 23 3HD PRO 23 1.487 0.464 -21.135 181 H GLY 24 H GLY 24 4.667 -3.402 -19.329 182 HA2 GLY 24 2HA GLY 24 6.270 -4.885 -20.900 183 HA3 GLY 24 3HA GLY 24 6.916 -3.270 -21.152 184 H GLU 25 H GLU 25 8.887 -4.219 -20.245 185 HA GLU 25 HA GLU 25 8.901 -4.936 -17.455 186 HB2 GLU 25 2HB GLU 25 11.169 -4.443 -19.392 187 HB3 GLU 25 3HB GLU 25 11.363 -5.058 -17.757 188 HG2 GLU 25 2HG GLU 25 9.939 -6.401 -20.040 189 HG3 GLU 25 3HG GLU 25 11.467 -6.882 -19.304 190 H LEU 26 H LEU 26 9.256 -2.056 -19.302 191 HA LEU 26 HA LEU 26 10.814 -0.538 -17.497 192 HB2 LEU 26 2HB LEU 26 9.977 -0.126 -19.993 193 HB3 LEU 26 3HB LEU 26 8.747 0.808 -19.143 194 HG LEU 26 HG LEU 26 11.720 1.270 -19.198 195 HD11 LEU 26 1HD1 LEU 26 10.864 2.366 -21.018 196 HD12 LEU 26 2HD1 LEU 26 10.701 3.614 -19.783 197 HD13 LEU 26 3HD1 LEU 26 9.301 2.650 -20.252 198 HD21 LEU 26 3HD2 LEU 26 11.328 3.108 -17.620 199 HD22 LEU 26 1HD2 LEU 26 10.979 1.536 -16.901 200 HD23 LEU 26 2HD2 LEU 26 9.656 2.578 -17.428 201 H GLY 27 H GLY 27 7.288 -0.667 -18.015 202 HA2 GLY 27 2HA GLY 27 6.476 1.130 -16.088 203 HA3 GLY 27 3HA GLY 27 5.549 -0.287 -16.560 204 H LYS 28 H LYS 28 7.064 -2.351 -15.638 205 HA LYS 28 HA LYS 28 6.360 -2.526 -12.957 206 HB2 LYS 28 2HB LYS 28 6.851 -4.461 -14.431 207 HB3 LYS 28 3HB LYS 28 8.560 -4.055 -14.358 208 HG2 LYS 28 2HG LYS 28 8.453 -4.366 -11.885 209 HG3 LYS 28 3HG LYS 28 6.803 -4.960 -12.090 210 HD2 LYS 28 2HD LYS 28 8.035 -6.512 -13.885 211 HD3 LYS 28 3HD LYS 28 9.388 -6.233 -12.786 212 HE2 LYS 28 2HE LYS 28 6.687 -7.380 -12.091 213 HE3 LYS 28 3HE LYS 28 8.226 -8.240 -12.128 214 HZ1 LYS 28 3HZ LYS 28 7.807 -7.751 -9.886 215 HZ2 LYS 28 1HZ LYS 28 7.352 -6.155 -10.217 216 HZ3 LYS 28 2HZ LYS 28 8.971 -6.621 -10.367 217 H ARG 29 H ARG 29 9.190 -1.176 -14.437 218 HA ARG 29 HA ARG 29 10.639 -1.057 -11.914 219 HB2 ARG 29 2HB ARG 29 11.357 -0.122 -14.697 220 HB3 ARG 29 3HB ARG 29 12.407 0.047 -13.297 221 HG2 ARG 29 2HG ARG 29 12.287 -2.454 -13.044 222 HG3 ARG 29 3HG ARG 29 11.491 -2.491 -14.618 223 HD2 ARG 29 2HD ARG 29 13.468 -1.243 -15.533 224 HD3 ARG 29 3HD ARG 29 14.262 -1.498 -13.980 225 HE ARG 29 HE ARG 29 13.981 -3.393 -16.081 226 HH11 ARG 29 1HH1 ARG 29 14.084 -3.079 -12.616 227 HH12 ARG 29 2HH1 ARG 29 14.670 -4.689 -12.357 228 HH21 ARG 29 1HH2 ARG 29 14.753 -5.514 -15.753 229 HH22 ARG 29 2HH2 ARG 29 15.051 -6.073 -14.142 230 H LEU 30 H LEU 30 8.504 0.857 -13.767 231 HA LEU 30 HA LEU 30 9.403 3.413 -12.819 232 HB2 LEU 30 2HB LEU 30 7.089 2.409 -14.401 233 HB3 LEU 30 3HB LEU 30 6.978 4.005 -13.662 234 HG LEU 30 HG LEU 30 9.135 3.152 -15.592 235 HD11 LEU 30 1HD1 LEU 30 6.540 4.607 -15.995 236 HD12 LEU 30 2HD1 LEU 30 7.164 3.203 -16.861 237 HD13 LEU 30 3HD1 LEU 30 7.901 4.787 -17.103 238 HD21 LEU 30 3HD2 LEU 30 8.557 5.991 -15.174 239 HD22 LEU 30 1HD2 LEU 30 10.103 5.147 -15.275 240 HD23 LEU 30 2HD2 LEU 30 9.208 5.168 -13.755 241 H TYR 31 H TYR 31 6.474 1.473 -12.197 242 HA TYR 31 HA TYR 31 5.475 3.063 -10.124 243 HB2 TYR 31 2HB TYR 31 3.874 1.435 -9.839 244 HB3 TYR 31 3HB TYR 31 4.438 1.030 -11.456 245 HD1 TYR 31 HD2 TYR 31 4.449 0.029 -7.927 246 HD2 TYR 31 HD1 TYR 31 5.713 -0.985 -11.861 247 HE1 TYR 31 HE2 TYR 31 4.982 -2.248 -7.163 248 HE2 TYR 31 HE1 TYR 31 6.248 -3.265 -11.108 249 HH TYR 31 HH TYR 31 6.577 -4.126 -7.944 250 H GLU 32 H GLU 32 8.113 0.885 -10.185 251 HA GLU 32 HA GLU 32 8.159 0.665 -7.262 252 HB2 GLU 32 2HB GLU 32 9.526 -1.186 -7.480 253 HB3 GLU 32 3HB GLU 32 8.533 -1.314 -8.925 254 HG2 GLU 32 2HG GLU 32 10.359 -0.159 -10.181 255 HG3 GLU 32 3HG GLU 32 11.353 -0.293 -8.731 256 H SER 33 H SER 33 9.180 2.778 -9.516 257 HA SER 33 HA SER 33 11.679 3.397 -8.084 258 HB2 SER 33 2HB SER 33 12.366 3.094 -10.280 259 HB3 SER 33 3HB SER 33 10.862 3.729 -10.947 260 HG SER 33 HG SER 33 13.162 5.024 -10.392 261 H VAL 34 H VAL 34 8.735 4.764 -9.473 262 HA VAL 34 HA VAL 34 9.296 7.373 -8.313 263 HB VAL 34 HB VAL 34 8.300 7.256 -10.559 264 HG11 VAL 34 1HG1 VAL 34 6.766 5.229 -9.541 265 HG12 VAL 34 2HG1 VAL 34 5.615 6.563 -9.641 266 HG13 VAL 34 3HG1 VAL 34 6.493 6.044 -11.081 267 HG21 VAL 34 3HG2 VAL 34 7.251 8.746 -8.312 268 HG22 VAL 34 1HG2 VAL 34 7.603 9.283 -9.955 269 HG23 VAL 34 2HG2 VAL 34 6.043 8.550 -9.582 270 H SER 35 H SER 35 8.456 8.121 -6.467 271 HA SER 35 HA SER 35 6.598 6.377 -5.010 272 HB2 SER 35 2HB SER 35 8.818 8.143 -4.227 273 HB3 SER 35 3HB SER 35 7.396 8.264 -3.192 274 HG SER 35 HG SER 35 7.623 5.762 -3.420 275 H LYS 36 H LYS 36 5.324 7.876 -3.298 276 HA LYS 36 HA LYS 36 3.333 9.181 -4.780 277 HB2 LYS 36 2HB LYS 36 2.784 8.254 -2.643 278 HB3 LYS 36 3HB LYS 36 3.997 9.239 -1.837 279 HG2 LYS 36 2HG LYS 36 1.928 10.722 -3.315 280 HG3 LYS 36 3HG LYS 36 1.375 9.828 -1.897 281 HD2 LYS 36 2HD LYS 36 3.838 11.463 -1.621 282 HD3 LYS 36 3HD LYS 36 2.298 12.317 -1.735 283 HE2 LYS 36 2HE LYS 36 1.433 11.082 0.155 284 HE3 LYS 36 3HE LYS 36 2.901 10.109 0.229 285 HZ1 LYS 36 3HZ LYS 36 3.375 12.947 0.349 286 HZ2 LYS 36 1HZ LYS 36 3.987 11.705 1.321 287 HZ3 LYS 36 2HZ LYS 36 2.462 12.360 1.646 288 H GLN 37 H GLN 37 6.355 10.292 -3.609 289 HA GLN 37 HA GLN 37 5.643 13.089 -3.589 290 HB2 GLN 37 2HB GLN 37 7.381 12.161 -2.081 291 HB3 GLN 37 3HB GLN 37 8.375 11.799 -3.485 292 HG2 GLN 37 2HG GLN 37 8.895 13.919 -2.177 293 HG3 GLN 37 3HG GLN 37 8.782 14.046 -3.932 294 HE21 GLN 37 1HE2 GLN 37 6.680 14.254 -1.078 295 HE22 GLN 37 2HE2 GLN 37 5.790 15.631 -1.623 296 H ALA 38 H ALA 38 7.933 11.146 -5.520 297 HA ALA 38 HA ALA 38 8.369 13.131 -7.471 298 HB1 ALA 38 1HB ALA 38 9.578 11.514 -8.665 299 HB2 ALA 38 2HB ALA 38 9.783 11.072 -6.969 300 HB3 ALA 38 3HB ALA 38 8.643 10.184 -7.980 301 H TRP 39 H TRP 39 5.743 11.014 -6.945 302 HA TRP 39 HA TRP 39 4.769 10.473 -9.464 303 HB2 TRP 39 2HB TRP 39 3.638 9.525 -7.607 304 HB3 TRP 39 3HB TRP 39 3.336 11.104 -6.888 305 HD1 TRP 39 HD1 TRP 39 0.859 11.685 -7.042 306 HE1 TRP 39 HE1 TRP 39 -1.023 11.342 -8.764 307 HE3 TRP 39 HE3 TRP 39 3.474 9.110 -10.602 308 HZ2 TRP 39 HZ2 TRP 39 -1.355 10.139 -11.296 309 HZ3 TRP 39 HZ3 TRP 39 2.300 8.399 -12.644 310 HH2 TRP 39 HH2 TRP 39 -0.065 8.903 -12.981 311 H GLN 40 H GLN 40 4.623 13.478 -7.647 312 HA GLN 40 HA GLN 40 2.807 14.806 -9.382 313 HB2 GLN 40 2HB GLN 40 4.821 15.866 -7.398 314 HB3 GLN 40 3HB GLN 40 3.669 16.879 -8.257 315 HG2 GLN 40 2HG GLN 40 2.907 14.597 -6.452 316 HG3 GLN 40 3HG GLN 40 2.979 16.287 -5.954 317 HE21 GLN 40 1HE2 GLN 40 1.783 17.726 -7.703 318 HE22 GLN 40 2HE2 GLN 40 0.175 17.200 -8.049 319 H ASP 41 H ASP 41 6.328 14.625 -9.200 320 HA ASP 41 HA ASP 41 6.779 16.519 -11.290 321 HB2 ASP 41 2HB ASP 41 8.399 15.768 -9.419 322 HB3 ASP 41 3HB ASP 41 8.747 14.397 -10.470 323 H TRP 42 H TRP 42 6.128 13.122 -11.159 324 HA TRP 42 HA TRP 42 7.098 12.553 -13.807 325 HB2 TRP 42 2HB TRP 42 7.155 10.703 -12.353 326 HB3 TRP 42 3HB TRP 42 5.519 11.000 -11.770 327 HD1 TRP 42 HD1 TRP 42 4.301 8.824 -12.443 328 HE1 TRP 42 HE1 TRP 42 3.884 7.586 -14.661 329 HE3 TRP 42 HE3 TRP 42 7.372 11.553 -15.486 330 HZ2 TRP 42 HZ2 TRP 42 4.743 7.746 -17.345 331 HZ3 TRP 42 HZ3 TRP 42 7.518 10.946 -17.865 332 HH2 TRP 42 HH2 TRP 42 6.230 9.081 -18.774 333 H LEU 43 H LEU 43 3.858 12.721 -12.326 334 HA LEU 43 HA LEU 43 2.432 12.429 -14.736 335 HB2 LEU 43 2HB LEU 43 0.521 12.869 -13.511 336 HB3 LEU 43 3HB LEU 43 1.627 12.220 -12.302 337 HG LEU 43 HG LEU 43 2.123 14.816 -11.947 338 HD11 LEU 43 1HD1 LEU 43 0.456 16.255 -12.491 339 HD12 LEU 43 2HD1 LEU 43 -0.796 15.017 -12.405 340 HD13 LEU 43 3HD1 LEU 43 0.255 15.111 -13.818 341 HD21 LEU 43 3HD2 LEU 43 1.504 13.487 -10.120 342 HD22 LEU 43 1HD2 LEU 43 -0.073 13.111 -10.814 343 HD23 LEU 43 2HD2 LEU 43 0.257 14.733 -10.203 344 H LYS 44 H LYS 44 4.109 15.093 -13.381 345 HA LYS 44 HA LYS 44 2.653 17.172 -14.694 346 HB2 LYS 44 2HB LYS 44 5.143 16.960 -13.101 347 HB3 LYS 44 3HB LYS 44 5.051 18.314 -14.221 348 HG2 LYS 44 2HG LYS 44 2.758 17.792 -12.394 349 HG3 LYS 44 3HG LYS 44 4.218 18.552 -11.756 350 HD2 LYS 44 2HD LYS 44 4.037 20.364 -13.304 351 HD3 LYS 44 3HD LYS 44 2.737 19.554 -14.183 352 HE2 LYS 44 2HE LYS 44 2.518 20.358 -11.290 353 HE3 LYS 44 3HE LYS 44 2.033 21.410 -12.619 354 HZ1 LYS 44 3HZ LYS 44 0.188 20.220 -12.993 355 HZ2 LYS 44 1HZ LYS 44 0.412 19.654 -11.414 356 HZ3 LYS 44 2HZ LYS 44 0.947 18.731 -12.727 357 H GLN 45 H GLN 45 5.916 15.838 -15.263 358 HA GLN 45 HA GLN 45 6.375 17.153 -17.684 359 HB2 GLN 45 2HB GLN 45 8.199 15.652 -18.008 360 HB3 GLN 45 3HB GLN 45 8.081 15.952 -16.280 361 HG2 GLN 45 2HG GLN 45 7.050 13.826 -15.914 362 HG3 GLN 45 3HG GLN 45 6.929 13.536 -17.649 363 HE21 GLN 45 1HE2 GLN 45 8.611 12.655 -18.703 364 HE22 GLN 45 2HE2 GLN 45 10.120 12.243 -17.970 365 H GLN 46 H GLN 46 4.620 14.223 -16.961 366 HA GLN 46 HA GLN 46 4.515 12.981 -19.420 367 HB2 GLN 46 2HB GLN 46 3.161 12.761 -16.972 368 HB3 GLN 46 3HB GLN 46 1.903 12.954 -18.186 369 HG2 GLN 46 2HG GLN 46 4.007 11.048 -18.906 370 HG3 GLN 46 3HG GLN 46 3.052 10.598 -17.494 371 HE21 GLN 46 1HE2 GLN 46 0.585 11.384 -18.023 372 HE22 GLN 46 2HE2 GLN 46 -0.032 10.636 -19.452 373 H THR 47 H THR 47 2.657 15.748 -18.267 374 HA THR 47 HA THR 47 1.151 15.906 -20.745 375 HB THR 47 HB THR 47 1.145 17.706 -18.315 376 HG1 THR 47 HG1 THR 47 -0.879 15.922 -19.212 377 HG21 THR 47 3HG2 THR 47 0.026 18.050 -20.973 378 HG22 THR 47 1HG2 THR 47 0.146 19.203 -19.644 379 HG23 THR 47 2HG2 THR 47 -1.215 18.084 -19.720 380 H MET 48 H MET 48 3.873 17.453 -19.196 381 HA MET 48 HA MET 48 4.015 19.781 -20.757 382 HB2 MET 48 2HB MET 48 6.184 18.193 -19.381 383 HB3 MET 48 3HB MET 48 6.448 19.765 -20.123 384 HG2 MET 48 2HG MET 48 4.499 20.522 -18.581 385 HG3 MET 48 3HG MET 48 4.899 19.064 -17.675 386 HE1 MET 48 3HE MET 48 6.202 21.981 -19.491 387 HE2 MET 48 1HE MET 48 7.029 22.927 -18.253 388 HE3 MET 48 2HE MET 48 7.931 21.759 -19.219 389 H LEU 49 H LEU 49 5.296 16.531 -21.274 390 HA LEU 49 HA LEU 49 6.768 17.187 -23.620 391 HB2 LEU 49 2HB LEU 49 5.917 14.683 -22.260 392 HB3 LEU 49 3HB LEU 49 6.454 14.583 -23.936 393 HG LEU 49 HG LEU 49 8.186 14.096 -22.156 394 HD11 LEU 49 1HD1 LEU 49 8.362 15.509 -24.607 395 HD12 LEU 49 2HD1 LEU 49 9.567 14.471 -23.845 396 HD13 LEU 49 3HD1 LEU 49 9.543 16.199 -23.494 397 HD21 LEU 49 3HD2 LEU 49 9.254 16.027 -21.106 398 HD22 LEU 49 1HD2 LEU 49 7.572 15.872 -20.600 399 HD23 LEU 49 2HD2 LEU 49 8.023 17.088 -21.795 400 H ILE 50 H ILE 50 3.534 15.899 -23.022 401 HA ILE 50 HA ILE 50 2.867 15.349 -25.703 402 HB ILE 50 HB ILE 50 1.111 16.006 -23.340 403 HG12 ILE 50 2HG1 ILE 50 1.377 13.336 -24.684 404 HG13 ILE 50 3HG1 ILE 50 2.584 13.856 -23.512 405 HG21 ILE 50 1HG2 ILE 50 -0.728 15.029 -24.713 406 HG22 ILE 50 2HG2 ILE 50 -0.131 16.580 -25.301 407 HG23 ILE 50 3HG2 ILE 50 0.352 15.087 -26.106 408 HD11 ILE 50 3HD1 ILE 50 1.246 12.903 -22.011 409 HD12 ILE 50 1HD1 ILE 50 0.254 14.350 -22.186 410 HD13 ILE 50 2HD1 ILE 50 -0.136 12.896 -23.106 411 H ASN 51 H ASN 51 2.784 18.283 -23.801 412 HA ASN 51 HA ASN 51 1.345 19.734 -25.872 413 HB2 ASN 51 2HB ASN 51 2.356 20.465 -23.130 414 HB3 ASN 51 3HB ASN 51 1.760 21.688 -24.249 415 HD21 ASN 51 1HD2 ASN 51 0.722 18.419 -23.332 416 HD22 ASN 51 2HD2 ASN 51 -0.910 18.857 -22.970 417 H GLU 52 H GLU 52 4.587 19.249 -24.733 418 HA GLU 52 HA GLU 52 5.673 21.519 -26.147 419 HB2 GLU 52 2HB GLU 52 6.664 20.643 -24.031 420 HB3 GLU 52 3HB GLU 52 7.131 19.186 -24.897 421 HG2 GLU 52 2HG GLU 52 9.053 20.523 -24.820 422 HG3 GLU 52 3HG GLU 52 8.429 20.688 -26.460 423 H ASN 53 H ASN 53 4.930 18.243 -26.841 424 HA ASN 53 HA ASN 53 6.448 18.418 -29.361 425 HB2 ASN 53 2HB ASN 53 5.796 16.039 -27.628 426 HB3 ASN 53 3HB ASN 53 6.276 15.860 -29.313 427 HD21 ASN 53 1HD2 ASN 53 7.289 16.746 -26.119 428 HD22 ASN 53 2HD2 ASN 53 8.987 16.770 -26.442 429 H ARG 54 H ARG 54 3.390 18.306 -27.950 430 HA ARG 54 HA ARG 54 1.276 18.140 -28.771 431 HB2 ARG 54 2HB ARG 54 2.717 18.633 -31.382 432 HB3 ARG 54 3HB ARG 54 0.969 18.671 -31.189 433 HG2 ARG 54 2HG ARG 54 2.626 20.401 -29.430 434 HG3 ARG 54 3HG ARG 54 2.404 20.868 -31.118 435 HD2 ARG 54 2HD ARG 54 -0.012 20.797 -30.835 436 HD3 ARG 54 3HD ARG 54 0.184 20.267 -29.165 437 HE ARG 54 HE ARG 54 1.566 22.666 -29.454 438 HH11 ARG 54 1HH1 ARG 54 -1.711 21.500 -29.596 439 HH12 ARG 54 2HH1 ARG 54 -2.405 23.000 -29.076 440 HH21 ARG 54 1HH2 ARG 54 0.664 24.646 -28.769 441 HH22 ARG 54 2HH2 ARG 54 -1.054 24.789 -28.607 442 H LEU 55 H LEU 55 2.544 15.724 -28.277 443 HA LEU 55 HA LEU 55 2.313 13.916 -30.468 444 HB2 LEU 55 2HB LEU 55 2.298 13.264 -27.528 445 HB3 LEU 55 3HB LEU 55 2.700 12.178 -28.857 446 HG LEU 55 HG LEU 55 4.336 14.630 -28.283 447 HD11 LEU 55 1HD1 LEU 55 5.700 13.483 -26.788 448 HD12 LEU 55 2HD1 LEU 55 5.026 11.914 -27.225 449 HD13 LEU 55 3HD1 LEU 55 4.069 13.050 -26.274 450 HD21 LEU 55 3HD2 LEU 55 4.620 12.145 -29.908 451 HD22 LEU 55 1HD2 LEU 55 6.063 12.933 -29.269 452 HD23 LEU 55 2HD2 LEU 55 4.975 13.820 -30.337 453 H ASN 56 H ASN 56 0.888 11.878 -30.143 454 HA ASN 56 HA ASN 56 -1.855 12.826 -29.694 455 HB2 ASN 56 2HB ASN 56 -0.912 11.710 -31.921 456 HB3 ASN 56 3HB ASN 56 -1.305 10.230 -31.052 457 HD21 ASN 56 1HD2 ASN 56 -3.559 10.623 -29.816 458 HD22 ASN 56 2HD2 ASN 56 -4.829 11.099 -30.886 459 H MET 57 H MET 57 -2.106 12.502 -27.507 460 HA MET 57 HA MET 57 -1.234 10.370 -25.983 461 HB2 MET 57 2HB MET 57 -3.892 11.727 -25.555 462 HB3 MET 57 3HB MET 57 -2.831 11.022 -24.342 463 HG2 MET 57 2HG MET 57 -1.909 13.000 -24.022 464 HG3 MET 57 3HG MET 57 -1.335 12.989 -25.688 465 HE1 MET 57 3HE MET 57 -3.771 14.275 -23.109 466 HE2 MET 57 1HE MET 57 -4.992 15.176 -24.008 467 HE3 MET 57 2HE MET 57 -5.007 13.413 -24.025 468 H ALA 58 H ALA 58 -4.159 10.651 -27.940 469 HA ALA 58 HA ALA 58 -5.544 8.403 -27.143 470 HB1 ALA 58 1HB ALA 58 -5.786 10.260 -29.171 471 HB2 ALA 58 2HB ALA 58 -5.610 8.727 -30.026 472 HB3 ALA 58 3HB ALA 58 -6.895 8.930 -28.835 473 H ASP 59 H ASP 59 -2.775 8.640 -29.302 474 HA ASP 59 HA ASP 59 -2.823 5.742 -29.728 475 HB2 ASP 59 2HB ASP 59 -1.534 8.044 -31.126 476 HB3 ASP 59 3HB ASP 59 -0.768 6.462 -31.238 477 HA PRO 60 HA PRO 60 0.468 4.862 -26.967 478 HB2 PRO 60 2HB PRO 60 1.874 2.980 -28.328 479 HB3 PRO 60 3HB PRO 60 0.289 2.664 -27.611 480 HG2 PRO 60 2HG PRO 60 0.991 3.303 -30.450 481 HG3 PRO 60 3HG PRO 60 -0.145 2.094 -29.823 482 HD2 PRO 60 2HD PRO 60 -0.954 4.490 -30.792 483 HD3 PRO 60 3HD PRO 60 -1.809 3.652 -29.481 484 H ARG 61 H ARG 61 1.085 6.261 -30.003 485 HA ARG 61 HA ARG 61 3.875 6.308 -30.110 486 HB2 ARG 61 2HB ARG 61 1.760 8.183 -31.137 487 HB3 ARG 61 3HB ARG 61 3.470 8.522 -31.373 488 HG2 ARG 61 2HG ARG 61 2.050 6.034 -32.302 489 HG3 ARG 61 3HG ARG 61 2.447 7.425 -33.313 490 HD2 ARG 61 2HD ARG 61 4.847 7.067 -32.731 491 HD3 ARG 61 3HD ARG 61 4.373 5.582 -31.907 492 HE ARG 61 HE ARG 61 4.700 5.946 -34.709 493 HH11 ARG 61 1HH1 ARG 61 2.823 4.238 -32.326 494 HH12 ARG 61 2HH1 ARG 61 2.457 2.910 -33.376 495 HH21 ARG 61 1HH2 ARG 61 4.225 4.203 -36.102 496 HH22 ARG 61 2HH2 ARG 61 3.255 2.891 -35.523 497 H ALA 62 H ALA 62 1.616 8.216 -28.244 498 HA ALA 62 HA ALA 62 3.586 10.141 -27.399 499 HB1 ALA 62 1HB ALA 62 1.578 10.507 -25.653 500 HB2 ALA 62 2HB ALA 62 1.587 11.184 -27.282 501 HB3 ALA 62 3HB ALA 62 0.704 9.694 -26.951 502 H ARG 63 H ARG 63 2.288 7.124 -26.218 503 HA ARG 63 HA ARG 63 3.410 7.421 -23.577 504 HB2 ARG 63 2HB ARG 63 2.109 5.094 -24.995 505 HB3 ARG 63 3HB ARG 63 2.711 5.008 -23.344 506 HG2 ARG 63 2HG ARG 63 0.682 5.653 -22.716 507 HG3 ARG 63 3HG ARG 63 1.113 7.253 -23.324 508 HD2 ARG 63 2HD ARG 63 -0.878 6.832 -24.420 509 HD3 ARG 63 3HD ARG 63 0.319 6.321 -25.609 510 HE ARG 63 HE ARG 63 -0.399 4.153 -25.362 511 HH11 ARG 63 1HH1 ARG 63 -1.717 6.118 -22.808 512 HH12 ARG 63 2HH1 ARG 63 -2.797 4.887 -22.241 513 HH21 ARG 63 1HH2 ARG 63 -1.815 2.524 -24.624 514 HH22 ARG 63 2HH2 ARG 63 -2.851 2.843 -23.274 515 H GLN 64 H GLN 64 4.386 6.113 -26.634 516 HA GLN 64 HA GLN 64 6.551 4.548 -25.529 517 HB2 GLN 64 2HB GLN 64 5.456 3.744 -27.537 518 HB3 GLN 64 3HB GLN 64 5.822 5.244 -28.378 519 HG2 GLN 64 2HG GLN 64 8.243 4.718 -28.110 520 HG3 GLN 64 3HG GLN 64 7.772 3.147 -27.463 521 HE21 GLN 64 1HE2 GLN 64 9.210 2.627 -29.392 522 HE22 GLN 64 2HE2 GLN 64 8.400 2.364 -30.895 523 H TYR 65 H TYR 65 6.048 7.757 -26.681 524 HA TYR 65 HA TYR 65 8.871 8.276 -27.105 525 HB2 TYR 65 2HB TYR 65 7.383 9.405 -28.599 526 HB3 TYR 65 3HB TYR 65 6.413 10.023 -27.267 527 HD1 TYR 65 HD2 TYR 65 7.218 11.891 -25.904 528 HD2 TYR 65 HD1 TYR 65 9.461 10.462 -29.225 529 HE1 TYR 65 HE2 TYR 65 8.563 13.950 -25.874 530 HE2 TYR 65 HE1 TYR 65 10.814 12.516 -29.203 531 HH TYR 65 HH TYR 65 11.300 14.389 -28.076 532 H LEU 66 H LEU 66 6.430 8.782 -24.661 533 HA LEU 66 HA LEU 66 7.988 10.625 -23.107 534 HB2 LEU 66 2HB LEU 66 5.378 9.273 -22.874 535 HB3 LEU 66 3HB LEU 66 6.171 9.677 -21.352 536 HG LEU 66 HG LEU 66 5.886 11.803 -23.421 537 HD11 LEU 66 1HD1 LEU 66 3.668 12.104 -23.193 538 HD12 LEU 66 2HD1 LEU 66 3.656 11.557 -21.517 539 HD13 LEU 66 3HD1 LEU 66 3.674 10.379 -22.828 540 HD21 LEU 66 3HD2 LEU 66 7.067 12.546 -21.572 541 HD22 LEU 66 1HD2 LEU 66 6.085 11.613 -20.442 542 HD23 LEU 66 2HD2 LEU 66 5.419 13.058 -21.204 543 H MET 67 H MET 67 7.377 7.155 -23.073 544 HA MET 67 HA MET 67 8.510 6.513 -20.611 545 HB2 MET 67 2HB MET 67 8.789 4.261 -21.493 546 HB3 MET 67 3HB MET 67 7.238 4.921 -21.993 547 HG2 MET 67 2HG MET 67 7.907 5.168 -24.197 548 HG3 MET 67 3HG MET 67 9.620 5.117 -23.785 549 HE1 MET 67 3HE MET 67 10.625 2.304 -25.135 550 HE2 MET 67 1HE MET 67 9.218 2.458 -26.188 551 HE3 MET 67 2HE MET 67 10.048 3.902 -25.607 552 H LYS 68 H LYS 68 9.995 7.515 -23.556 553 HA LYS 68 HA LYS 68 12.603 6.470 -22.981 554 HB2 LYS 68 2HB LYS 68 11.781 8.648 -24.911 555 HB3 LYS 68 3HB LYS 68 13.336 7.828 -24.884 556 HG2 LYS 68 2HG LYS 68 10.839 6.229 -25.201 557 HG3 LYS 68 3HG LYS 68 11.500 7.109 -26.580 558 HD2 LYS 68 2HD LYS 68 12.527 5.051 -26.794 559 HD3 LYS 68 3HD LYS 68 13.737 5.964 -25.890 560 HE2 LYS 68 2HE LYS 68 13.332 4.825 -23.937 561 HE3 LYS 68 3HE LYS 68 11.673 4.432 -24.384 562 HZ1 LYS 68 3HZ LYS 68 14.153 3.174 -25.416 563 HZ2 LYS 68 1HZ LYS 68 12.619 2.895 -26.073 564 HZ3 LYS 68 2HZ LYS 68 12.949 2.447 -24.476 565 H GLN 69 H GLN 69 10.822 9.276 -22.086 566 HA GLN 69 HA GLN 69 13.197 10.765 -21.309 567 HB2 GLN 69 2HB GLN 69 11.191 11.879 -22.326 568 HB3 GLN 69 3HB GLN 69 10.299 11.487 -20.862 569 HG2 GLN 69 2HG GLN 69 10.996 13.726 -20.646 570 HG3 GLN 69 3HG GLN 69 12.034 12.775 -19.584 571 HE21 GLN 69 1HE2 GLN 69 13.324 14.794 -19.790 572 HE22 GLN 69 2HE2 GLN 69 14.457 14.890 -21.090 573 H THR 70 H THR 70 10.871 8.640 -19.931 574 HA THR 70 HA THR 70 11.444 9.462 -17.199 575 HB THR 70 HB THR 70 9.888 6.987 -17.792 576 HG1 THR 70 HG1 THR 70 9.141 9.618 -18.495 577 HG21 THR 70 3HG2 THR 70 9.559 9.271 -15.843 578 HG22 THR 70 1HG2 THR 70 10.213 7.673 -15.484 579 HG23 THR 70 2HG2 THR 70 8.515 7.853 -15.929 580 H GLU 71 H GLU 71 12.243 6.894 -19.442 581 HA GLU 71 HA GLU 71 13.452 5.191 -17.482 582 HB2 GLU 71 2HB GLU 71 12.508 4.463 -19.723 583 HB3 GLU 71 3HB GLU 71 13.948 5.154 -20.458 584 HG2 GLU 71 2HG GLU 71 15.193 3.621 -18.745 585 HG3 GLU 71 3HG GLU 71 13.668 2.738 -18.742 586 H LYS 72 H LYS 72 14.840 7.087 -20.169 587 HA LYS 72 HA LYS 72 17.514 6.789 -19.433 588 HB2 LYS 72 2HB LYS 72 15.987 8.425 -21.286 589 HB3 LYS 72 3HB LYS 72 17.352 9.309 -20.616 590 HG2 LYS 72 2HG LYS 72 17.669 6.565 -21.784 591 HG3 LYS 72 3HG LYS 72 17.721 8.021 -22.782 592 HD2 LYS 72 2HD LYS 72 19.598 8.869 -21.545 593 HD3 LYS 72 3HD LYS 72 19.480 7.551 -20.377 594 HE2 LYS 72 2HE LYS 72 21.278 7.091 -21.913 595 HE3 LYS 72 3HE LYS 72 19.966 5.949 -22.197 596 HZ1 LYS 72 3HZ LYS 72 21.038 7.007 -24.217 597 HZ2 LYS 72 1HZ LYS 72 20.236 8.431 -23.781 598 HZ3 LYS 72 2HZ LYS 72 19.348 7.040 -24.151 599 H TYR 73 H TYR 73 15.040 8.640 -17.987 600 HA TYR 73 HA TYR 73 16.480 10.781 -16.902 601 HB2 TYR 73 2HB TYR 73 14.091 10.822 -16.804 602 HB3 TYR 73 3HB TYR 73 14.039 9.310 -15.903 603 HD1 TYR 73 HD2 TYR 73 15.104 12.861 -15.668 604 HD2 TYR 73 HD1 TYR 73 14.070 9.315 -13.556 605 HE1 TYR 73 HE2 TYR 73 15.098 14.126 -13.559 606 HE2 TYR 73 HE1 TYR 73 14.059 10.570 -11.441 607 HH TYR 73 HH TYR 73 13.667 13.263 -10.902 608 H PHE 74 H PHE 74 15.339 8.008 -14.985 609 HA PHE 74 HA PHE 74 17.653 8.324 -13.234 610 HB2 PHE 74 2HB PHE 74 15.442 8.190 -12.184 611 HB3 PHE 74 3HB PHE 74 15.173 6.618 -12.929 612 HD1 PHE 74 HD2 PHE 74 17.816 8.268 -10.868 613 HD2 PHE 74 HD1 PHE 74 15.418 4.817 -11.545 614 HE1 PHE 74 HE2 PHE 74 18.845 7.175 -8.919 615 HE2 PHE 74 HE1 PHE 74 16.443 3.719 -9.596 616 HZ PHE 74 HZ PHE 74 18.160 4.897 -8.281 617 H PHE 75 H PHE 75 15.990 5.762 -15.054 618 HA PHE 75 HA PHE 75 17.917 3.760 -14.528 619 HB2 PHE 75 2HB PHE 75 16.089 3.886 -16.929 620 HB3 PHE 75 3HB PHE 75 16.784 2.450 -16.185 621 HD1 PHE 75 HD1 PHE 75 16.264 3.186 -13.306 622 HD2 PHE 75 HD2 PHE 75 13.804 3.367 -16.774 623 HE1 PHE 75 HE1 PHE 75 14.263 2.948 -11.894 624 HE2 PHE 75 HE2 PHE 75 11.799 3.130 -15.368 625 HZ PHE 75 HZ PHE 75 12.027 2.921 -12.925 626 H GLY 76 H GLY 76 17.649 6.250 -16.970 627 HA2 GLY 76 2HA GLY 76 19.188 7.033 -18.486 628 HA3 GLY 76 3HA GLY 76 20.395 6.063 -17.654 629 H GLU 77 H GLU 77 20.628 3.827 -18.262 630 HA GLU 77 HA GLU 77 19.760 3.339 -21.035 631 HB2 GLU 77 2HB GLU 77 21.826 1.715 -20.924 632 HB3 GLU 77 3HB GLU 77 22.048 3.429 -21.245 633 HG2 GLU 77 2HG GLU 77 22.589 3.803 -18.894 634 HG3 GLU 77 3HG GLU 77 22.368 2.084 -18.572 635 H GLY 78 H GLY 78 19.719 2.194 -17.805 636 HA2 GLY 78 2HA GLY 78 18.843 0.310 -16.826 637 HA3 GLY 78 3HA GLY 78 17.765 0.272 -18.213 638 H ALA 79 H ALA 79 20.828 -0.868 -16.928 639 HA ALA 79 HA ALA 79 21.713 -2.417 -19.056 640 HB1 ALA 79 1HB ALA 79 22.071 -3.540 -16.343 641 HB2 ALA 79 2HB ALA 79 23.254 -3.249 -17.618 642 HB3 ALA 79 3HB ALA 79 22.684 -1.910 -16.622 643 H ASP 80 H ASP 80 20.741 -4.009 -20.107 644 HA ASP 80 HA ASP 80 19.483 -6.177 -18.687 645 HB2 ASP 80 2HB ASP 80 17.657 -4.484 -18.864 646 HB3 ASP 80 3HB ASP 80 17.812 -4.554 -20.617 647 H GLN 81 H GLN 81 19.345 -8.049 -19.903 648 HA GLN 81 HA GLN 81 21.147 -8.370 -22.004 649 HB2 GLN 81 2HB GLN 81 20.363 -10.597 -22.181 650 HB3 GLN 81 3HB GLN 81 20.199 -10.164 -20.485 651 HG2 GLN 81 2HG GLN 81 17.969 -10.129 -22.506 652 HG3 GLN 81 3HG GLN 81 18.271 -11.416 -21.339 653 HE21 GLN 81 1HE2 GLN 81 18.727 -10.250 -19.039 654 HE22 GLN 81 2HE2 GLN 81 17.415 -9.241 -18.544 655 H ALA 82 H ALA 82 20.746 -8.976 -24.231 656 HA ALA 82 HA ALA 82 18.199 -8.167 -25.383 657 HB1 ALA 82 1HB ALA 82 20.417 -6.960 -26.844 658 HB2 ALA 82 2HB ALA 82 18.858 -6.278 -26.380 659 HB3 ALA 82 3HB ALA 82 20.192 -6.292 -25.227 660 H SER 83 H SER 83 17.700 -9.913 -26.537 661 HA SER 83 HA SER 83 19.414 -10.757 -28.687 662 HB2 SER 83 2HB SER 83 19.081 -12.421 -26.225 663 HB3 SER 83 3HB SER 83 19.147 -13.234 -27.789 664 HG SER 83 HG SER 83 21.229 -13.088 -27.128 665 H GLY 84 H GLY 84 18.283 -11.710 -30.326 666 HA2 GLY 84 2HA GLY 84 16.252 -13.243 -30.693 667 HA3 GLY 84 3HA GLY 84 15.379 -11.946 -29.890 668 H TYR 85 H TYR 85 16.757 -13.060 -32.830 669 HA TYR 85 HA TYR 85 16.148 -10.509 -34.156 670 HB2 TYR 85 2HB TYR 85 18.150 -12.606 -34.587 671 HB3 TYR 85 3HB TYR 85 17.343 -12.090 -36.064 672 HD1 TYR 85 HD1 TYR 85 17.088 -9.396 -36.191 673 HD2 TYR 85 HD2 TYR 85 20.103 -11.511 -34.060 674 HE1 TYR 85 HE1 TYR 85 18.545 -7.417 -36.301 675 HE2 TYR 85 HE2 TYR 85 21.568 -9.538 -34.163 676 HH TYR 85 HH TYR 85 21.421 -7.149 -34.461 677 H VAL 86 H VAL 86 15.339 -10.824 -36.483 678 HA VAL 86 HA VAL 86 13.447 -13.060 -36.670 679 HB VAL 86 HB VAL 86 11.777 -11.376 -37.640 680 HG11 VAL 86 1HG1 VAL 86 11.255 -12.444 -35.600 681 HG12 VAL 86 2HG1 VAL 86 12.464 -11.513 -34.715 682 HG13 VAL 86 3HG1 VAL 86 11.007 -10.721 -35.318 683 HG21 VAL 86 3HG2 VAL 86 13.669 -9.573 -37.574 684 HG22 VAL 86 1HG2 VAL 86 11.999 -9.120 -37.233 685 HG23 VAL 86 2HG2 VAL 86 13.136 -9.360 -35.907 686 HA PRO 87 HA PRO 87 14.675 -13.323 -40.876 687 HB2 PRO 87 2HB PRO 87 12.382 -14.172 -42.057 688 HB3 PRO 87 3HB PRO 87 13.370 -15.209 -41.020 689 HG2 PRO 87 2HG PRO 87 10.875 -13.693 -40.357 690 HG3 PRO 87 3HG PRO 87 11.333 -15.346 -39.908 691 HD2 PRO 87 2HD PRO 87 11.568 -13.255 -38.204 692 HD3 PRO 87 3HD PRO 87 12.682 -14.637 -38.179 693 HA PRO 88 HA PRO 88 13.589 -9.754 -43.204 694 HB2 PRO 88 2HB PRO 88 13.654 -10.662 -45.762 695 HB3 PRO 88 3HB PRO 88 15.111 -10.430 -44.787 696 HG2 PRO 88 2HG PRO 88 13.596 -12.947 -45.359 697 HG3 PRO 88 3HG PRO 88 15.348 -12.675 -45.342 698 HD2 PRO 88 2HD PRO 88 14.033 -13.828 -43.275 699 HD3 PRO 88 3HD PRO 88 15.475 -12.818 -43.045 700 H ALA 89 H ALA 89 12.172 -9.193 -45.321 701 HA ALA 89 HA ALA 89 9.621 -10.608 -45.252 702 HB1 ALA 89 1HB ALA 89 9.327 -7.685 -45.109 703 HB2 ALA 89 2HB ALA 89 8.368 -8.963 -44.362 704 HB3 ALA 89 3HB ALA 89 9.894 -8.464 -43.632 705 H GLN 90 H GLN 90 8.176 -9.973 -47.004 706 HA GLN 90 HA GLN 90 9.168 -8.294 -49.112 707 HB2 GLN 90 2HB GLN 90 9.488 -9.948 -50.795 708 HB3 GLN 90 3HB GLN 90 10.440 -10.447 -49.404 709 HG2 GLN 90 2HG GLN 90 8.356 -11.859 -48.798 710 HG3 GLN 90 3HG GLN 90 7.921 -11.624 -50.490 711 HE21 GLN 90 1HE2 GLN 90 8.128 -14.044 -50.305 712 HE22 GLN 90 2HE2 GLN 90 9.677 -14.721 -50.663 713 H GLY 91 H GLY 91 7.645 -8.101 -50.898 714 HA2 GLY 91 2HA GLY 91 4.977 -9.203 -50.350 715 HA3 GLY 91 3HA GLY 91 5.163 -7.460 -50.482 Start of MODEL 13 1 H1 MET 1 H MET 1 -1.335 0.507 3.389 2 HA MET 1 HA MET 1 0.344 2.424 1.926 3 HB2 MET 1 2HB MET 1 2.295 0.908 2.312 4 HB3 MET 1 3HB MET 1 1.710 1.710 3.764 5 HG2 MET 1 2HG MET 1 0.649 -0.276 4.530 6 HG3 MET 1 3HG MET 1 0.939 -1.090 2.994 7 HE1 MET 1 3HE MET 1 1.621 -0.952 6.334 8 HE2 MET 1 1HE MET 1 3.258 -1.543 6.623 9 HE3 MET 1 2HE MET 1 2.972 0.182 6.394 10 H ALA 2 H ALA 2 0.958 1.809 -0.125 11 HA ALA 2 HA ALA 2 -0.589 -0.355 -1.287 12 HB1 ALA 2 1HB ALA 2 0.619 0.598 -3.417 13 HB2 ALA 2 2HB ALA 2 -0.730 1.460 -2.677 14 HB3 ALA 2 3HB ALA 2 0.926 1.974 -2.357 15 H ARG 3 H ARG 3 2.787 0.678 -1.801 16 HA ARG 3 HA ARG 3 3.644 -2.106 -1.483 17 HB2 ARG 3 2HB ARG 3 3.322 -0.970 -3.979 18 HB3 ARG 3 3HB ARG 3 5.034 -0.734 -3.656 19 HG2 ARG 3 2HG ARG 3 5.194 -2.782 -4.571 20 HG3 ARG 3 3HG ARG 3 4.794 -3.305 -2.934 21 HD2 ARG 3 2HD ARG 3 2.698 -3.957 -3.509 22 HD3 ARG 3 3HD ARG 3 2.523 -2.691 -4.724 23 HE ARG 3 HE ARG 3 3.244 -4.178 -6.295 24 HH11 ARG 3 1HH1 ARG 3 4.228 -5.312 -3.155 25 HH12 ARG 3 2HH1 ARG 3 4.848 -6.817 -3.749 26 HH21 ARG 3 1HH2 ARG 3 4.057 -6.155 -7.090 27 HH22 ARG 3 2HH2 ARG 3 4.751 -7.295 -5.987 28 H MET 4 H MET 4 6.278 -1.889 -2.071 29 HA MET 4 HA MET 4 7.300 0.348 -0.472 30 HB2 MET 4 2HB MET 4 8.889 -1.333 0.610 31 HB3 MET 4 3HB MET 4 7.219 -1.345 1.162 32 HG2 MET 4 2HG MET 4 6.787 -3.385 0.270 33 HG3 MET 4 3HG MET 4 7.934 -3.174 -1.051 34 HE1 MET 4 3HE MET 4 7.600 -5.778 1.711 35 HE2 MET 4 1HE MET 4 7.629 -5.721 -0.052 36 HE3 MET 4 2HE MET 4 8.997 -6.399 0.830 37 H ILE 5 H ILE 5 8.378 1.374 -2.073 38 HA ILE 5 HA ILE 5 10.661 -0.030 -3.233 39 HB ILE 5 HB ILE 5 10.237 0.690 -5.473 40 HG12 ILE 5 2HG1 ILE 5 7.627 1.680 -5.519 41 HG13 ILE 5 3HG1 ILE 5 8.386 2.504 -4.160 42 HG21 ILE 5 1HG2 ILE 5 9.200 -1.401 -4.894 43 HG22 ILE 5 2HG2 ILE 5 7.785 -0.567 -4.253 44 HG23 ILE 5 3HG2 ILE 5 8.131 -0.517 -5.982 45 HD11 ILE 5 3HD1 ILE 5 8.752 3.899 -5.988 46 HD12 ILE 5 1HD1 ILE 5 10.280 3.045 -5.776 47 HD13 ILE 5 2HD1 ILE 5 9.164 2.552 -7.050 48 H HIS 6 H HIS 6 12.077 1.582 -4.473 49 HA HIS 6 HA HIS 6 12.307 3.992 -2.823 50 HB2 HIS 6 2HB HIS 6 14.618 4.107 -3.869 51 HB3 HIS 6 3HB HIS 6 14.320 2.731 -2.812 52 HD1 HIS 6 HD1 HIS 6 14.066 0.392 -3.965 53 HD2 HIS 6 HD2 HIS 6 15.167 3.484 -6.511 54 HE1 HIS 6 HE1 HIS 6 14.874 -0.725 -6.067 55 H CYS 7 H CYS 7 11.094 5.576 -3.696 56 HA CYS 7 HA CYS 7 10.334 5.992 -6.280 57 HB2 CYS 7 2HB CYS 7 9.693 7.325 -4.200 58 HB3 CYS 7 3HB CYS 7 11.145 8.276 -4.485 59 HG CYS 7 HG CYS 7 8.202 8.762 -5.695 60 H ALA 8 H ALA 8 11.476 6.101 -8.087 61 HA ALA 8 HA ALA 8 14.261 6.828 -8.078 62 HB1 ALA 8 1HB ALA 8 12.745 6.496 -10.615 63 HB2 ALA 8 2HB ALA 8 14.367 5.951 -10.187 64 HB3 ALA 8 3HB ALA 8 12.956 5.091 -9.570 65 H LYS 9 H LYS 9 11.521 8.630 -8.008 66 HA LYS 9 HA LYS 9 12.487 10.712 -9.823 67 HB2 LYS 9 2HB LYS 9 10.090 10.049 -9.884 68 HB3 LYS 9 3HB LYS 9 9.923 10.602 -8.223 69 HG2 LYS 9 2HG LYS 9 11.011 12.532 -10.187 70 HG3 LYS 9 3HG LYS 9 9.299 12.119 -10.310 71 HD2 LYS 9 2HD LYS 9 8.774 13.231 -8.427 72 HD3 LYS 9 3HD LYS 9 10.218 12.672 -7.581 73 HE2 LYS 9 2HE LYS 9 10.360 15.050 -7.810 74 HE3 LYS 9 3HE LYS 9 11.544 14.322 -8.895 75 HZ1 LYS 9 3HZ LYS 9 10.289 16.150 -9.923 76 HZ2 LYS 9 1HZ LYS 9 8.856 15.271 -9.728 77 HZ3 LYS 9 2HZ LYS 9 10.076 14.685 -10.742 78 H LEU 10 H LEU 10 12.287 9.928 -6.470 79 HA LEU 10 HA LEU 10 13.218 12.638 -5.779 80 HB2 LEU 10 2HB LEU 10 12.012 10.712 -3.823 81 HB3 LEU 10 3HB LEU 10 12.217 12.455 -3.668 82 HG LEU 10 HG LEU 10 10.375 11.339 -5.746 83 HD11 LEU 10 1HD1 LEU 10 10.067 10.600 -3.147 84 HD12 LEU 10 2HD1 LEU 10 8.752 10.776 -4.309 85 HD13 LEU 10 3HD1 LEU 10 9.135 12.096 -3.204 86 HD21 LEU 10 3HD2 LEU 10 9.419 13.447 -5.730 87 HD22 LEU 10 1HD2 LEU 10 11.127 13.806 -5.473 88 HD23 LEU 10 2HD2 LEU 10 10.009 13.816 -4.109 89 H GLY 11 H GLY 11 13.441 9.262 -4.629 90 HA2 GLY 11 2HA GLY 11 15.740 8.297 -4.680 91 HA3 GLY 11 3HA GLY 11 16.268 9.811 -3.962 92 H LYS 12 H LYS 12 13.260 8.817 -2.793 93 HA LYS 12 HA LYS 12 14.533 7.687 -0.387 94 HB2 LYS 12 2HB LYS 12 11.897 9.155 -0.485 95 HB3 LYS 12 3HB LYS 12 12.795 8.668 0.946 96 HG2 LYS 12 2HG LYS 12 13.735 10.670 0.969 97 HG3 LYS 12 3HG LYS 12 14.546 10.265 -0.545 98 HD2 LYS 12 2HD LYS 12 12.320 10.988 -1.651 99 HD3 LYS 12 3HD LYS 12 12.001 11.786 -0.109 100 HE2 LYS 12 2HE LYS 12 14.499 12.217 -1.737 101 HE3 LYS 12 3HE LYS 12 13.065 13.236 -1.857 102 HZ1 LYS 12 3HZ LYS 12 15.151 13.412 -0.010 103 HZ2 LYS 12 1HZ LYS 12 13.758 12.980 0.847 104 HZ3 LYS 12 2HZ LYS 12 13.764 14.374 -0.111 105 H GLU 13 H GLU 13 12.313 6.767 0.926 106 HA GLU 13 HA GLU 13 11.540 4.514 -0.780 107 HB2 GLU 13 2HB GLU 13 12.144 4.844 2.047 108 HB3 GLU 13 3HB GLU 13 10.628 3.991 1.794 109 HG2 GLU 13 2HG GLU 13 13.252 3.225 0.539 110 HG3 GLU 13 3HG GLU 13 12.583 2.499 1.999 111 H ALA 14 H ALA 14 9.667 4.743 -1.800 112 HA ALA 14 HA ALA 14 7.383 5.837 -0.298 113 HB1 ALA 14 1HB ALA 14 6.586 6.736 -2.551 114 HB2 ALA 14 2HB ALA 14 7.907 7.595 -1.756 115 HB3 ALA 14 3HB ALA 14 8.247 6.500 -3.095 116 H GLU 15 H GLU 15 5.261 5.203 -1.277 117 HA GLU 15 HA GLU 15 5.182 2.381 -1.624 118 HB2 GLU 15 2HB GLU 15 2.727 2.771 -2.000 119 HB3 GLU 15 3HB GLU 15 3.356 3.412 -0.489 120 HG2 GLU 15 2HG GLU 15 3.574 5.445 -2.448 121 HG3 GLU 15 3HG GLU 15 1.951 4.765 -2.545 122 H GLY 16 H GLY 16 5.269 1.207 -3.427 123 HA2 GLY 16 2HA GLY 16 5.530 2.555 -5.978 124 HA3 GLY 16 3HA GLY 16 5.753 0.839 -5.675 125 H LEU 17 H LEU 17 4.419 1.668 -7.916 126 HA LEU 17 HA LEU 17 1.624 1.880 -7.626 127 HB2 LEU 17 2HB LEU 17 3.533 1.441 -9.803 128 HB3 LEU 17 3HB LEU 17 1.952 0.711 -10.073 129 HG LEU 17 HG LEU 17 0.922 2.944 -9.701 130 HD11 LEU 17 1HD1 LEU 17 3.749 3.634 -9.194 131 HD12 LEU 17 2HD1 LEU 17 2.271 4.319 -8.518 132 HD13 LEU 17 3HD1 LEU 17 2.806 4.793 -10.130 133 HD21 LEU 17 3HD2 LEU 17 2.482 3.810 -11.855 134 HD22 LEU 17 1HD2 LEU 17 0.958 2.923 -11.921 135 HD23 LEU 17 2HD2 LEU 17 2.490 2.048 -11.940 136 H ASP 18 H ASP 18 0.259 0.096 -8.923 137 HA ASP 18 HA ASP 18 1.012 -2.583 -8.025 138 HB2 ASP 18 2HB ASP 18 -0.432 -1.433 -6.274 139 HB3 ASP 18 3HB ASP 18 -1.736 -1.473 -7.458 140 H PHE 19 H PHE 19 0.980 -1.452 -10.628 141 HA PHE 19 HA PHE 19 -0.303 -3.435 -12.085 142 HB2 PHE 19 2HB PHE 19 -2.167 -1.570 -11.187 143 HB3 PHE 19 3HB PHE 19 -1.856 -1.100 -12.855 144 HD1 PHE 19 HD1 PHE 19 -1.985 -4.455 -11.244 145 HD2 PHE 19 HD2 PHE 19 -3.665 -1.789 -14.105 146 HE1 PHE 19 HE1 PHE 19 -3.487 -6.241 -12.022 147 HE2 PHE 19 HE2 PHE 19 -5.171 -3.571 -14.886 148 HZ PHE 19 HZ PHE 19 -5.084 -5.800 -13.844 149 HA PRO 20 HA PRO 20 2.427 -1.735 -15.084 150 HB2 PRO 20 2HB PRO 20 1.468 -2.964 -17.307 151 HB3 PRO 20 3HB PRO 20 2.402 -3.811 -16.068 152 HG2 PRO 20 2HG PRO 20 -0.562 -3.726 -16.478 153 HG3 PRO 20 3HG PRO 20 0.473 -5.110 -16.080 154 HD2 PRO 20 2HD PRO 20 -1.000 -3.809 -14.217 155 HD3 PRO 20 3HD PRO 20 0.566 -4.558 -13.844 156 HA PRO 21 HA PRO 21 0.287 1.781 -16.724 157 HB2 PRO 21 2HB PRO 21 2.301 2.733 -18.275 158 HB3 PRO 21 3HB PRO 21 2.286 2.893 -16.515 159 HG2 PRO 21 2HG PRO 21 3.724 0.900 -18.224 160 HG3 PRO 21 3HG PRO 21 4.311 1.786 -16.805 161 HD2 PRO 21 2HD PRO 21 3.480 -0.788 -16.674 162 HD3 PRO 21 3HD PRO 21 3.281 0.349 -15.325 163 H LEU 22 H LEU 22 1.947 -0.523 -18.816 164 HA LEU 22 HA LEU 22 -0.181 -0.831 -20.590 165 HB2 LEU 22 2HB LEU 22 1.502 1.466 -21.113 166 HB3 LEU 22 3HB LEU 22 1.510 0.333 -22.463 167 HG LEU 22 HG LEU 22 -1.158 0.984 -21.414 168 HD11 LEU 22 1HD1 LEU 22 0.131 3.092 -23.083 169 HD12 LEU 22 2HD1 LEU 22 0.319 3.134 -21.330 170 HD13 LEU 22 3HD1 LEU 22 -1.292 3.189 -22.045 171 HD21 LEU 22 3HD2 LEU 22 -0.215 -0.244 -23.612 172 HD22 LEU 22 1HD2 LEU 22 -0.399 1.397 -24.234 173 HD23 LEU 22 2HD2 LEU 22 -1.786 0.556 -23.539 174 HA PRO 23 HA PRO 23 3.695 -2.849 -22.607 175 HB2 PRO 23 2HB PRO 23 6.141 -2.127 -21.674 176 HB3 PRO 23 3HB PRO 23 5.322 -1.270 -22.985 177 HG2 PRO 23 2HG PRO 23 5.497 -0.566 -20.081 178 HG3 PRO 23 3HG PRO 23 5.656 0.487 -21.499 179 HD2 PRO 23 2HD PRO 23 3.377 0.334 -20.046 180 HD3 PRO 23 3HD PRO 23 3.376 0.645 -21.794 181 H GLY 24 H GLY 24 4.862 -4.734 -22.025 182 HA2 GLY 24 2HA GLY 24 4.440 -5.517 -19.228 183 HA3 GLY 24 3HA GLY 24 4.676 -6.615 -20.580 184 H GLU 25 H GLU 25 6.970 -4.926 -21.531 185 HA GLU 25 HA GLU 25 8.989 -6.250 -19.927 186 HB2 GLU 25 2HB GLU 25 10.559 -5.444 -21.652 187 HB3 GLU 25 3HB GLU 25 9.210 -6.335 -22.342 188 HG2 GLU 25 2HG GLU 25 8.119 -4.125 -22.809 189 HG3 GLU 25 3HG GLU 25 9.636 -3.361 -22.338 190 H LEU 26 H LEU 26 8.150 -2.930 -20.862 191 HA LEU 26 HA LEU 26 10.107 -1.873 -18.976 192 HB2 LEU 26 2HB LEU 26 9.355 -1.021 -21.424 193 HB3 LEU 26 3HB LEU 26 8.303 -0.035 -20.411 194 HG LEU 26 HG LEU 26 11.281 0.008 -20.661 195 HD11 LEU 26 1HD1 LEU 26 9.042 1.735 -21.254 196 HD12 LEU 26 2HD1 LEU 26 10.721 1.842 -21.783 197 HD13 LEU 26 3HD1 LEU 26 10.236 2.546 -20.240 198 HD21 LEU 26 3HD2 LEU 26 11.060 -0.250 -18.315 199 HD22 LEU 26 1HD2 LEU 26 9.675 0.840 -18.255 200 HD23 LEU 26 2HD2 LEU 26 11.281 1.475 -18.611 201 H GLY 27 H GLY 27 6.621 -2.033 -19.473 202 HA2 GLY 27 2HA GLY 27 5.875 -0.292 -17.378 203 HA3 GLY 27 3HA GLY 27 4.857 -1.535 -18.091 204 H LYS 28 H LYS 28 6.146 -3.840 -17.459 205 HA LYS 28 HA LYS 28 5.299 -4.424 -14.907 206 HB2 LYS 28 2HB LYS 28 5.832 -6.146 -16.554 207 HB3 LYS 28 3HB LYS 28 7.539 -5.734 -16.459 208 HG2 LYS 28 2HG LYS 28 7.764 -6.645 -14.325 209 HG3 LYS 28 3HG LYS 28 6.022 -6.635 -14.039 210 HD2 LYS 28 2HD LYS 28 7.246 -8.298 -16.219 211 HD3 LYS 28 3HD LYS 28 7.147 -8.885 -14.556 212 HE2 LYS 28 2HE LYS 28 4.821 -7.973 -16.247 213 HE3 LYS 28 3HE LYS 28 5.251 -9.648 -15.910 214 HZ1 LYS 28 3HZ LYS 28 3.731 -9.336 -14.283 215 HZ2 LYS 28 1HZ LYS 28 3.993 -7.668 -14.178 216 HZ3 LYS 28 2HZ LYS 28 5.075 -8.741 -13.445 217 H ARG 29 H ARG 29 8.347 -3.063 -15.940 218 HA ARG 29 HA ARG 29 9.481 -3.289 -13.265 219 HB2 ARG 29 2HB ARG 29 10.680 -2.013 -15.728 220 HB3 ARG 29 3HB ARG 29 11.521 -2.426 -14.241 221 HG2 ARG 29 2HG ARG 29 10.758 -4.842 -14.764 222 HG3 ARG 29 3HG ARG 29 10.510 -4.225 -16.399 223 HD2 ARG 29 2HD ARG 29 12.682 -4.983 -16.517 224 HD3 ARG 29 3HD ARG 29 12.923 -3.285 -16.108 225 HE ARG 29 HE ARG 29 12.843 -4.520 -13.694 226 HH11 ARG 29 1HH1 ARG 29 14.689 -5.017 -16.603 227 HH12 ARG 29 2HH1 ARG 29 16.077 -5.638 -15.772 228 HH21 ARG 29 1HH2 ARG 29 14.663 -5.336 -12.588 229 HH22 ARG 29 2HH2 ARG 29 16.060 -5.820 -13.488 230 H LEU 30 H LEU 30 7.831 -1.015 -15.248 231 HA LEU 30 HA LEU 30 8.759 1.390 -14.109 232 HB2 LEU 30 2HB LEU 30 6.413 0.548 -15.709 233 HB3 LEU 30 3HB LEU 30 6.279 2.070 -14.831 234 HG LEU 30 HG LEU 30 8.386 1.400 -16.886 235 HD11 LEU 30 1HD1 LEU 30 7.229 3.090 -18.249 236 HD12 LEU 30 2HD1 LEU 30 5.966 3.193 -17.024 237 HD13 LEU 30 3HD1 LEU 30 6.214 1.688 -17.909 238 HD21 LEU 30 3HD2 LEU 30 8.073 4.187 -16.263 239 HD22 LEU 30 1HD2 LEU 30 9.520 3.180 -16.197 240 HD23 LEU 30 2HD2 LEU 30 8.445 3.271 -14.801 241 H TYR 31 H TYR 31 5.789 -0.467 -13.437 242 HA TYR 31 HA TYR 31 4.908 1.101 -11.294 243 HB2 TYR 31 2HB TYR 31 3.244 -0.446 -11.055 244 HB3 TYR 31 3HB TYR 31 3.813 -0.925 -12.650 245 HD1 TYR 31 HD1 TYR 31 3.938 -1.757 -9.052 246 HD2 TYR 31 HD2 TYR 31 4.824 -3.049 -13.008 247 HE1 TYR 31 HE1 TYR 31 4.375 -4.024 -8.207 248 HE2 TYR 31 HE2 TYR 31 5.262 -5.321 -12.173 249 HH TYR 31 HH TYR 31 5.340 -6.649 -10.401 250 H GLU 32 H GLU 32 7.518 -1.073 -11.505 251 HA GLU 32 HA GLU 32 7.616 -1.517 -8.618 252 HB2 GLU 32 2HB GLU 32 9.519 -2.539 -10.729 253 HB3 GLU 32 3HB GLU 32 9.382 -3.093 -9.066 254 HG2 GLU 32 2HG GLU 32 7.241 -4.058 -9.488 255 HG3 GLU 32 3HG GLU 32 7.178 -3.338 -11.096 256 H SER 33 H SER 33 8.561 0.820 -10.725 257 HA SER 33 HA SER 33 10.932 1.516 -9.118 258 HB2 SER 33 2HB SER 33 10.302 2.223 -11.994 259 HB3 SER 33 3HB SER 33 11.688 2.835 -11.091 260 HG SER 33 HG SER 33 12.578 0.851 -11.080 261 H VAL 34 H VAL 34 8.018 2.734 -10.688 262 HA VAL 34 HA VAL 34 8.351 5.397 -9.630 263 HB VAL 34 HB VAL 34 6.113 5.828 -10.577 264 HG11 VAL 34 1HG1 VAL 34 7.698 4.349 -12.646 265 HG12 VAL 34 2HG1 VAL 34 6.797 5.858 -12.803 266 HG13 VAL 34 3HG1 VAL 34 8.317 5.827 -11.908 267 HG21 VAL 34 3HG2 VAL 34 4.674 4.218 -11.154 268 HG22 VAL 34 1HG2 VAL 34 5.912 3.312 -12.024 269 HG23 VAL 34 2HG2 VAL 34 5.736 3.113 -10.281 270 H SER 35 H SER 35 7.044 6.394 -8.068 271 HA SER 35 HA SER 35 5.641 4.525 -6.271 272 HB2 SER 35 2HB SER 35 7.744 6.472 -5.744 273 HB3 SER 35 3HB SER 35 6.330 6.729 -4.722 274 HG SER 35 HG SER 35 8.208 4.950 -4.380 275 H LYS 36 H LYS 36 4.297 6.062 -4.625 276 HA LYS 36 HA LYS 36 2.153 7.061 -6.179 277 HB2 LYS 36 2HB LYS 36 1.719 6.116 -4.006 278 HB3 LYS 36 3HB LYS 36 2.769 7.295 -3.230 279 HG2 LYS 36 2HG LYS 36 0.416 7.825 -2.890 280 HG3 LYS 36 3HG LYS 36 1.232 9.083 -3.822 281 HD2 LYS 36 2HD LYS 36 -0.952 8.599 -4.775 282 HD3 LYS 36 3HD LYS 36 0.328 8.119 -5.892 283 HE2 LYS 36 2HE LYS 36 0.095 5.800 -5.177 284 HE3 LYS 36 3HE LYS 36 -1.153 6.269 -4.023 285 HZ1 LYS 36 3HZ LYS 36 -2.116 7.272 -6.317 286 HZ2 LYS 36 1HZ LYS 36 -2.533 5.757 -5.690 287 HZ3 LYS 36 2HZ LYS 36 -1.337 5.879 -6.879 288 H GLN 37 H GLN 37 5.040 8.491 -5.022 289 HA GLN 37 HA GLN 37 4.063 11.203 -5.042 290 HB2 GLN 37 2HB GLN 37 6.020 10.215 -3.653 291 HB3 GLN 37 3HB GLN 37 6.966 10.439 -5.118 292 HG2 GLN 37 2HG GLN 37 7.172 12.298 -3.508 293 HG3 GLN 37 3HG GLN 37 6.574 12.797 -5.090 294 HE21 GLN 37 1HE2 GLN 37 5.469 14.583 -4.497 295 HE22 GLN 37 2HE2 GLN 37 4.096 14.574 -3.449 296 H ALA 38 H ALA 38 6.488 9.454 -6.992 297 HA ALA 38 HA ALA 38 6.761 11.431 -8.961 298 HB1 ALA 38 1HB ALA 38 7.974 9.841 -10.215 299 HB2 ALA 38 2HB ALA 38 8.290 9.463 -8.521 300 HB3 ALA 38 3HB ALA 38 7.146 8.488 -9.443 301 H TRP 39 H TRP 39 4.324 9.035 -8.453 302 HA TRP 39 HA TRP 39 3.308 8.610 -10.980 303 HB2 TRP 39 2HB TRP 39 2.404 7.408 -9.111 304 HB3 TRP 39 3HB TRP 39 1.866 8.897 -8.341 305 HD1 TRP 39 HD1 TRP 39 -0.636 9.319 -8.598 306 HE1 TRP 39 HE1 TRP 39 -2.462 8.662 -10.288 307 HE3 TRP 39 HE3 TRP 39 2.248 6.762 -11.956 308 HZ2 TRP 39 HZ2 TRP 39 -2.655 7.247 -12.723 309 HZ3 TRP 39 HZ3 TRP 39 1.166 5.787 -13.938 310 HH2 TRP 39 HH2 TRP 39 -1.235 6.024 -14.312 311 H GLN 40 H GLN 40 3.060 11.449 -8.962 312 HA GLN 40 HA GLN 40 1.090 12.697 -10.687 313 HB2 GLN 40 2HB GLN 40 2.541 13.601 -8.206 314 HB3 GLN 40 3HB GLN 40 1.508 14.679 -9.134 315 HG2 GLN 40 2HG GLN 40 0.608 12.079 -7.917 316 HG3 GLN 40 3HG GLN 40 0.390 13.666 -7.180 317 HE21 GLN 40 1HE2 GLN 40 -0.386 15.231 -9.203 318 HE22 GLN 40 2HE2 GLN 40 -1.874 14.676 -9.882 319 H ASP 41 H ASP 41 4.535 12.884 -10.029 320 HA ASP 41 HA ASP 41 5.060 15.237 -11.502 321 HB2 ASP 41 2HB ASP 41 6.761 14.602 -10.018 322 HB3 ASP 41 3HB ASP 41 6.755 12.933 -10.581 323 H TRP 42 H TRP 42 5.268 11.799 -12.375 324 HA TRP 42 HA TRP 42 6.247 12.052 -14.950 325 HB2 TRP 42 2HB TRP 42 4.256 10.045 -13.872 326 HB3 TRP 42 3HB TRP 42 5.102 9.885 -15.409 327 HD1 TRP 42 HD1 TRP 42 5.311 8.428 -12.204 328 HE1 TRP 42 HE1 TRP 42 7.705 7.734 -11.561 329 HE3 TRP 42 HE3 TRP 42 7.905 11.162 -15.658 330 HZ2 TRP 42 HZ2 TRP 42 10.344 8.274 -12.406 331 HZ3 TRP 42 HZ3 TRP 42 10.361 11.018 -15.674 332 HH2 TRP 42 HH2 TRP 42 11.553 9.604 -14.080 333 H LEU 43 H LEU 43 2.988 12.535 -13.747 334 HA LEU 43 HA LEU 43 1.707 12.632 -16.278 335 HB2 LEU 43 2HB LEU 43 0.895 13.850 -13.643 336 HB3 LEU 43 3HB LEU 43 -0.145 13.695 -15.057 337 HG LEU 43 HG LEU 43 1.069 11.299 -13.709 338 HD11 LEU 43 1HD1 LEU 43 -0.436 12.907 -12.257 339 HD12 LEU 43 2HD1 LEU 43 -0.612 11.155 -12.175 340 HD13 LEU 43 3HD1 LEU 43 -1.733 12.109 -13.146 341 HD21 LEU 43 3HD2 LEU 43 -0.988 10.247 -14.722 342 HD22 LEU 43 1HD2 LEU 43 0.232 10.804 -15.867 343 HD23 LEU 43 2HD2 LEU 43 -1.227 11.759 -15.600 344 H LYS 44 H LYS 44 3.295 15.020 -14.256 345 HA LYS 44 HA LYS 44 2.402 17.339 -15.564 346 HB2 LYS 44 2HB LYS 44 3.808 16.974 -13.354 347 HB3 LYS 44 3HB LYS 44 5.168 17.208 -14.444 348 HG2 LYS 44 2HG LYS 44 2.894 19.160 -14.271 349 HG3 LYS 44 3HG LYS 44 4.312 19.253 -13.224 350 HD2 LYS 44 2HD LYS 44 5.656 19.163 -15.431 351 HD3 LYS 44 3HD LYS 44 4.128 19.606 -16.195 352 HE2 LYS 44 2HE LYS 44 5.365 21.612 -15.775 353 HE3 LYS 44 3HE LYS 44 4.004 21.561 -14.656 354 HZ1 LYS 44 3HZ LYS 44 6.603 21.966 -13.979 355 HZ2 LYS 44 1HZ LYS 44 6.366 20.336 -13.592 356 HZ3 LYS 44 2HZ LYS 44 5.367 21.520 -12.914 357 H GLN 45 H GLN 45 5.355 15.412 -16.048 358 HA GLN 45 HA GLN 45 6.268 16.971 -18.248 359 HB2 GLN 45 2HB GLN 45 7.990 15.341 -18.492 360 HB3 GLN 45 3HB GLN 45 7.710 15.533 -16.767 361 HG2 GLN 45 2HG GLN 45 6.444 13.489 -16.695 362 HG3 GLN 45 3HG GLN 45 6.558 13.319 -18.447 363 HE21 GLN 45 1HE2 GLN 45 8.074 12.011 -19.154 364 HE22 GLN 45 2HE2 GLN 45 9.515 11.567 -18.311 365 H GLN 46 H GLN 46 4.256 14.127 -17.919 366 HA GLN 46 HA GLN 46 4.301 13.094 -20.474 367 HB2 GLN 46 2HB GLN 46 2.635 12.867 -18.177 368 HB3 GLN 46 3HB GLN 46 1.594 13.069 -19.580 369 HG2 GLN 46 2HG GLN 46 2.660 11.183 -20.671 370 HG3 GLN 46 3HG GLN 46 3.761 10.998 -19.306 371 HE21 GLN 46 1HE2 GLN 46 3.169 9.724 -17.684 372 HE22 GLN 46 2HE2 GLN 46 1.590 9.061 -17.454 373 H THR 47 H THR 47 2.439 15.836 -19.244 374 HA THR 47 HA THR 47 1.102 16.291 -21.747 375 HB THR 47 HB THR 47 1.312 18.053 -19.298 376 HG1 THR 47 HG1 THR 47 -0.727 17.214 -18.827 377 HG21 THR 47 3HG2 THR 47 0.784 19.460 -21.144 378 HG22 THR 47 1HG2 THR 47 -0.733 19.139 -20.304 379 HG23 THR 47 2HG2 THR 47 -0.355 18.284 -21.799 380 H MET 48 H MET 48 4.055 17.321 -20.255 381 HA MET 48 HA MET 48 4.455 19.659 -21.837 382 HB2 MET 48 2HB MET 48 6.008 18.089 -19.883 383 HB3 MET 48 3HB MET 48 6.968 18.940 -21.086 384 HG2 MET 48 2HG MET 48 4.867 20.256 -19.385 385 HG3 MET 48 3HG MET 48 6.577 20.189 -18.965 386 HE1 MET 48 3HE MET 48 4.597 22.493 -19.193 387 HE2 MET 48 1HE MET 48 5.178 23.774 -20.257 388 HE3 MET 48 2HE MET 48 3.985 22.615 -20.844 389 H LEU 49 H LEU 49 5.180 16.263 -22.223 390 HA LEU 49 HA LEU 49 6.939 16.652 -24.467 391 HB2 LEU 49 2HB LEU 49 5.566 14.141 -23.519 392 HB3 LEU 49 3HB LEU 49 6.908 14.232 -24.658 393 HG LEU 49 HG LEU 49 6.908 14.530 -21.691 394 HD11 LEU 49 1HD1 LEU 49 7.549 12.458 -23.142 395 HD12 LEU 49 2HD1 LEU 49 8.533 12.906 -21.749 396 HD13 LEU 49 3HD1 LEU 49 9.060 13.337 -23.376 397 HD21 LEU 49 3HD2 LEU 49 8.713 15.950 -23.613 398 HD22 LEU 49 1HD2 LEU 49 9.305 15.425 -22.037 399 HD23 LEU 49 2HD2 LEU 49 7.954 16.554 -22.139 400 H ILE 50 H ILE 50 3.561 15.749 -23.982 401 HA ILE 50 HA ILE 50 2.991 15.145 -26.686 402 HB ILE 50 HB ILE 50 1.136 16.048 -24.480 403 HG12 ILE 50 2HG1 ILE 50 1.292 13.255 -25.533 404 HG13 ILE 50 3HG1 ILE 50 2.539 13.806 -24.419 405 HG21 ILE 50 1HG2 ILE 50 -0.148 16.454 -26.336 406 HG22 ILE 50 2HG2 ILE 50 0.650 15.208 -27.295 407 HG23 ILE 50 3HG2 ILE 50 -0.517 14.753 -26.054 408 HD11 ILE 50 3HD1 ILE 50 -0.345 13.307 -23.950 409 HD12 ILE 50 1HD1 ILE 50 1.053 12.911 -22.951 410 HD13 ILE 50 2HD1 ILE 50 0.451 14.568 -23.008 411 H ASN 51 H ASN 51 2.865 18.119 -24.804 412 HA ASN 51 HA ASN 51 1.638 19.641 -26.914 413 HB2 ASN 51 2HB ASN 51 2.828 20.332 -24.238 414 HB3 ASN 51 3HB ASN 51 2.368 21.594 -25.377 415 HD21 ASN 51 1HD2 ASN 51 0.949 18.523 -24.295 416 HD22 ASN 51 2HD2 ASN 51 -0.607 19.179 -23.926 417 H GLU 52 H GLU 52 4.901 19.240 -25.613 418 HA GLU 52 HA GLU 52 6.099 21.202 -27.292 419 HB2 GLU 52 2HB GLU 52 7.152 20.521 -25.202 420 HB3 GLU 52 3HB GLU 52 7.322 18.876 -25.799 421 HG2 GLU 52 2HG GLU 52 8.842 19.663 -27.540 422 HG3 GLU 52 3HG GLU 52 8.673 21.312 -26.941 423 H ASN 53 H ASN 53 6.413 17.646 -27.332 424 HA ASN 53 HA ASN 53 7.572 17.582 -29.918 425 HB2 ASN 53 2HB ASN 53 6.187 15.356 -28.405 426 HB3 ASN 53 3HB ASN 53 7.265 15.156 -29.784 427 HD21 ASN 53 1HD2 ASN 53 7.054 15.165 -26.476 428 HD22 ASN 53 2HD2 ASN 53 8.731 15.323 -26.094 429 H ARG 54 H ARG 54 4.368 17.953 -28.850 430 HA ARG 54 HA ARG 54 2.358 18.050 -29.911 431 HB2 ARG 54 2HB ARG 54 4.297 18.527 -32.143 432 HB3 ARG 54 3HB ARG 54 2.586 18.346 -32.508 433 HG2 ARG 54 2HG ARG 54 2.511 20.556 -32.194 434 HG3 ARG 54 3HG ARG 54 2.504 20.145 -30.478 435 HD2 ARG 54 2HD ARG 54 4.559 20.973 -30.160 436 HD3 ARG 54 3HD ARG 54 5.179 20.232 -31.635 437 HE ARG 54 HE ARG 54 3.505 22.491 -32.158 438 HH11 ARG 54 1HH1 ARG 54 6.726 21.505 -31.278 439 HH12 ARG 54 2HH1 ARG 54 7.476 22.934 -31.909 440 HH21 ARG 54 1HH2 ARG 54 4.480 24.377 -32.992 441 HH22 ARG 54 2HH2 ARG 54 6.197 24.567 -32.883 442 H LEU 55 H LEU 55 2.877 15.566 -29.183 443 HA LEU 55 HA LEU 55 2.720 13.754 -31.440 444 HB2 LEU 55 2HB LEU 55 2.468 13.132 -28.503 445 HB3 LEU 55 3HB LEU 55 2.779 11.989 -29.808 446 HG LEU 55 HG LEU 55 4.686 14.179 -28.997 447 HD11 LEU 55 1HD1 LEU 55 5.379 11.394 -28.407 448 HD12 LEU 55 2HD1 LEU 55 4.059 12.046 -27.437 449 HD13 LEU 55 3HD1 LEU 55 5.625 12.857 -27.452 450 HD21 LEU 55 3HD2 LEU 55 5.311 13.624 -31.132 451 HD22 LEU 55 1HD2 LEU 55 4.717 11.969 -30.994 452 HD23 LEU 55 2HD2 LEU 55 6.227 12.432 -30.208 453 H ASN 56 H ASN 56 1.013 11.994 -31.346 454 HA ASN 56 HA ASN 56 -1.596 13.260 -30.863 455 HB2 ASN 56 2HB ASN 56 -1.050 12.581 -33.206 456 HB3 ASN 56 3HB ASN 56 -0.970 10.909 -32.659 457 HD21 ASN 56 1HD2 ASN 56 -2.685 9.936 -33.478 458 HD22 ASN 56 2HD2 ASN 56 -4.314 10.499 -33.364 459 H MET 57 H MET 57 -1.998 12.713 -28.752 460 HA MET 57 HA MET 57 -1.448 10.349 -27.450 461 HB2 MET 57 2HB MET 57 -3.891 12.089 -27.064 462 HB3 MET 57 3HB MET 57 -3.259 10.931 -25.902 463 HG2 MET 57 2HG MET 57 -1.251 12.230 -25.630 464 HG3 MET 57 3HG MET 57 -1.763 13.344 -26.895 465 HE1 MET 57 3HE MET 57 -3.268 14.891 -26.905 466 HE2 MET 57 1HE MET 57 -4.730 14.891 -25.918 467 HE3 MET 57 2HE MET 57 -3.386 15.956 -25.504 468 H ALA 58 H ALA 58 -4.003 11.058 -29.720 469 HA ALA 58 HA ALA 58 -5.795 9.012 -29.227 470 HB1 ALA 58 1HB ALA 58 -6.757 10.036 -30.943 471 HB2 ALA 58 2HB ALA 58 -5.238 10.823 -31.375 472 HB3 ALA 58 3HB ALA 58 -5.621 9.227 -32.022 473 H ASP 59 H ASP 59 -2.626 8.871 -30.656 474 HA ASP 59 HA ASP 59 -3.009 6.004 -31.212 475 HB2 ASP 59 2HB ASP 59 -1.371 8.121 -32.527 476 HB3 ASP 59 3HB ASP 59 -0.739 6.477 -32.513 477 HA PRO 60 HA PRO 60 -0.101 4.855 -28.137 478 HB2 PRO 60 2HB PRO 60 1.257 2.834 -29.338 479 HB3 PRO 60 3HB PRO 60 -0.415 2.674 -28.788 480 HG2 PRO 60 2HG PRO 60 0.630 3.208 -31.542 481 HG3 PRO 60 3HG PRO 60 -0.671 2.117 -31.031 482 HD2 PRO 60 2HD PRO 60 -1.152 4.563 -32.088 483 HD3 PRO 60 3HD PRO 60 -2.210 3.825 -30.869 484 H ARG 61 H ARG 61 1.034 5.929 -31.215 485 HA ARG 61 HA ARG 61 3.779 5.786 -30.978 486 HB2 ARG 61 2HB ARG 61 2.075 7.959 -32.203 487 HB3 ARG 61 3HB ARG 61 3.819 7.855 -32.404 488 HG2 ARG 61 2HG ARG 61 1.942 5.643 -33.189 489 HG3 ARG 61 3HG ARG 61 2.441 6.931 -34.288 490 HD2 ARG 61 2HD ARG 61 4.471 5.295 -32.812 491 HD3 ARG 61 3HD ARG 61 3.739 4.695 -34.300 492 HE ARG 61 HE ARG 61 4.774 7.343 -34.584 493 HH11 ARG 61 1HH1 ARG 61 5.632 3.969 -34.564 494 HH12 ARG 61 2HH1 ARG 61 7.035 4.186 -35.558 495 HH21 ARG 61 1HH2 ARG 61 6.618 7.641 -35.893 496 HH22 ARG 61 2HH2 ARG 61 7.595 6.275 -36.313 497 H ALA 62 H ALA 62 1.600 8.295 -29.733 498 HA ALA 62 HA ALA 62 3.557 9.998 -28.677 499 HB1 ALA 62 1HB ALA 62 1.708 10.815 -27.193 500 HB2 ALA 62 2HB ALA 62 1.331 10.804 -28.916 501 HB3 ALA 62 3HB ALA 62 0.694 9.539 -27.867 502 H ARG 63 H ARG 63 2.230 7.009 -27.498 503 HA ARG 63 HA ARG 63 3.278 7.373 -24.821 504 HB2 ARG 63 2HB ARG 63 1.900 5.056 -26.181 505 HB3 ARG 63 3HB ARG 63 2.477 4.998 -24.521 506 HG2 ARG 63 2HG ARG 63 0.521 5.813 -23.888 507 HG3 ARG 63 3HG ARG 63 0.950 7.328 -24.686 508 HD2 ARG 63 2HD ARG 63 -0.072 6.583 -26.741 509 HD3 ARG 63 3HD ARG 63 -0.392 4.995 -26.044 510 HE ARG 63 HE ARG 63 -1.908 7.408 -25.639 511 HH11 ARG 63 1HH1 ARG 63 -1.105 4.267 -24.370 512 HH12 ARG 63 2HH1 ARG 63 -2.555 4.132 -23.431 513 HH21 ARG 63 1HH2 ARG 63 -3.821 7.242 -24.407 514 HH22 ARG 63 2HH2 ARG 63 -4.100 5.824 -23.454 515 H GLN 64 H GLN 64 4.126 5.688 -27.776 516 HA GLN 64 HA GLN 64 6.128 4.013 -26.722 517 HB2 GLN 64 2HB GLN 64 5.036 3.900 -29.023 518 HB3 GLN 64 3HB GLN 64 6.141 5.182 -29.500 519 HG2 GLN 64 2HG GLN 64 7.996 3.822 -29.362 520 HG3 GLN 64 3HG GLN 64 7.212 2.690 -28.261 521 HE21 GLN 64 1HE2 GLN 64 5.894 1.089 -29.079 522 HE22 GLN 64 2HE2 GLN 64 5.839 0.693 -30.759 523 H TYR 65 H TYR 65 6.069 7.387 -27.433 524 HA TYR 65 HA TYR 65 8.971 7.620 -27.413 525 HB2 TYR 65 2HB TYR 65 7.903 9.043 -28.993 526 HB3 TYR 65 3HB TYR 65 6.742 9.616 -27.800 527 HD1 TYR 65 HD2 TYR 65 7.398 11.267 -26.119 528 HD2 TYR 65 HD1 TYR 65 10.139 9.953 -29.096 529 HE1 TYR 65 HE2 TYR 65 8.859 13.179 -25.610 530 HE2 TYR 65 HE1 TYR 65 11.608 11.861 -28.595 531 HH TYR 65 HH TYR 65 11.717 13.479 -26.054 532 H LEU 66 H LEU 66 6.198 8.333 -25.378 533 HA LEU 66 HA LEU 66 7.472 9.907 -23.443 534 HB2 LEU 66 2HB LEU 66 5.019 8.246 -23.552 535 HB3 LEU 66 3HB LEU 66 5.615 8.703 -21.957 536 HG LEU 66 HG LEU 66 5.055 10.724 -24.115 537 HD11 LEU 66 1HD1 LEU 66 2.904 11.118 -22.992 538 HD12 LEU 66 2HD1 LEU 66 3.188 9.703 -21.979 539 HD13 LEU 66 3HD1 LEU 66 2.995 9.515 -23.722 540 HD21 LEU 66 3HD2 LEU 66 5.420 12.307 -22.532 541 HD22 LEU 66 1HD2 LEU 66 6.456 11.044 -21.867 542 HD23 LEU 66 2HD2 LEU 66 4.835 11.287 -21.216 543 H MET 67 H MET 67 7.104 6.398 -23.710 544 HA MET 67 HA MET 67 8.145 5.666 -21.232 545 HB2 MET 67 2HB MET 67 8.432 3.491 -22.127 546 HB3 MET 67 3HB MET 67 7.035 4.170 -22.951 547 HG2 MET 67 2HG MET 67 8.733 4.855 -24.770 548 HG3 MET 67 3HG MET 67 9.783 3.665 -24.005 549 HE1 MET 67 3HE MET 67 9.545 1.085 -24.295 550 HE2 MET 67 1HE MET 67 8.245 1.322 -23.125 551 HE3 MET 67 2HE MET 67 7.975 0.320 -24.551 552 H LYS 68 H LYS 68 9.722 6.885 -24.056 553 HA LYS 68 HA LYS 68 12.350 5.960 -23.399 554 HB2 LYS 68 2HB LYS 68 11.529 8.229 -25.221 555 HB3 LYS 68 3HB LYS 68 13.103 7.445 -25.181 556 HG2 LYS 68 2HG LYS 68 10.654 5.827 -25.721 557 HG3 LYS 68 3HG LYS 68 11.375 6.799 -27.006 558 HD2 LYS 68 2HD LYS 68 12.515 4.848 -27.329 559 HD3 LYS 68 3HD LYS 68 13.588 5.616 -26.157 560 HE2 LYS 68 2HE LYS 68 12.829 4.279 -24.406 561 HE3 LYS 68 3HE LYS 68 11.347 3.842 -25.256 562 HZ1 LYS 68 3HZ LYS 68 14.034 2.725 -25.510 563 HZ2 LYS 68 1HZ LYS 68 13.092 2.803 -26.914 564 HZ3 LYS 68 2HZ LYS 68 12.531 1.950 -25.565 565 H GLN 69 H GLN 69 10.368 8.558 -22.365 566 HA GLN 69 HA GLN 69 12.592 10.181 -21.441 567 HB2 GLN 69 2HB GLN 69 10.472 11.170 -22.362 568 HB3 GLN 69 3HB GLN 69 9.644 10.583 -20.926 569 HG2 GLN 69 2HG GLN 69 10.112 12.827 -20.485 570 HG3 GLN 69 3HG GLN 69 11.329 11.922 -19.586 571 HE21 GLN 69 1HE2 GLN 69 11.023 12.973 -22.963 572 HE22 GLN 69 2HE2 GLN 69 12.556 13.768 -23.033 573 H THR 70 H THR 70 10.342 7.842 -20.207 574 HA THR 70 HA THR 70 11.008 8.432 -17.436 575 HB THR 70 HB THR 70 9.459 5.990 -18.055 576 HG1 THR 70 HG1 THR 70 8.478 8.607 -18.624 577 HG21 THR 70 3HG2 THR 70 8.349 6.502 -16.101 578 HG22 THR 70 1HG2 THR 70 8.558 8.240 -16.310 579 HG23 THR 70 2HG2 THR 70 9.918 7.244 -15.791 580 H GLU 71 H GLU 71 11.544 5.908 -19.847 581 HA GLU 71 HA GLU 71 12.865 4.102 -18.103 582 HB2 GLU 71 2HB GLU 71 11.832 3.713 -20.467 583 HB3 GLU 71 3HB GLU 71 13.413 4.215 -21.049 584 HG2 GLU 71 2HG GLU 71 13.207 2.071 -18.987 585 HG3 GLU 71 3HG GLU 71 12.893 1.699 -20.681 586 H LYS 72 H LYS 72 14.171 6.226 -20.656 587 HA LYS 72 HA LYS 72 16.868 5.825 -20.105 588 HB2 LYS 72 2HB LYS 72 15.962 6.968 -22.122 589 HB3 LYS 72 3HB LYS 72 15.592 8.370 -21.126 590 HG2 LYS 72 2HG LYS 72 17.621 8.830 -22.249 591 HG3 LYS 72 3HG LYS 72 18.032 8.498 -20.564 592 HD2 LYS 72 2HD LYS 72 18.197 6.012 -21.661 593 HD3 LYS 72 3HD LYS 72 18.726 7.023 -23.008 594 HE2 LYS 72 2HE LYS 72 19.893 7.785 -20.441 595 HE3 LYS 72 3HE LYS 72 20.306 6.146 -20.942 596 HZ1 LYS 72 3HZ LYS 72 20.996 7.102 -23.109 597 HZ2 LYS 72 1HZ LYS 72 21.936 7.629 -21.804 598 HZ3 LYS 72 2HZ LYS 72 20.762 8.650 -22.468 599 H TYR 73 H TYR 73 14.510 7.532 -18.313 600 HA TYR 73 HA TYR 73 16.158 9.432 -17.024 601 HB2 TYR 73 2HB TYR 73 13.664 9.499 -17.060 602 HB3 TYR 73 3HB TYR 73 13.646 8.134 -15.949 603 HD1 TYR 73 HD2 TYR 73 14.592 8.423 -13.645 604 HD2 TYR 73 HD1 TYR 73 14.002 11.710 -16.281 605 HE1 TYR 73 HE2 TYR 73 14.729 9.969 -11.738 606 HE2 TYR 73 HE1 TYR 73 14.138 13.266 -14.380 607 HH TYR 73 HH TYR 73 15.088 13.317 -12.108 608 H PHE 74 H PHE 74 14.663 6.618 -15.441 609 HA PHE 74 HA PHE 74 16.994 6.442 -13.682 610 HB2 PHE 74 2HB PHE 74 14.896 6.523 -12.516 611 HB3 PHE 74 3HB PHE 74 14.230 5.234 -13.514 612 HD1 PHE 74 HD2 PHE 74 17.064 5.872 -11.178 613 HD2 PHE 74 HD1 PHE 74 14.208 3.095 -12.678 614 HE1 PHE 74 HE2 PHE 74 17.817 4.210 -9.527 615 HE2 PHE 74 HE1 PHE 74 14.956 1.429 -11.029 616 HZ PHE 74 HZ PHE 74 16.764 1.985 -9.451 617 H PHE 75 H PHE 75 15.006 4.399 -15.795 618 HA PHE 75 HA PHE 75 16.589 2.065 -15.462 619 HB2 PHE 75 2HB PHE 75 14.730 2.783 -17.739 620 HB3 PHE 75 3HB PHE 75 15.325 1.171 -17.353 621 HD1 PHE 75 HD1 PHE 75 13.171 3.925 -16.179 622 HD2 PHE 75 HD2 PHE 75 14.294 -0.152 -15.691 623 HE1 PHE 75 HE1 PHE 75 11.239 3.574 -14.697 624 HE2 PHE 75 HE2 PHE 75 12.362 -0.510 -14.210 625 HZ PHE 75 HZ PHE 75 10.831 1.354 -13.712 626 H GLY 76 H GLY 76 17.248 4.944 -16.998 627 HA2 GLY 76 2HA GLY 76 19.174 3.628 -18.815 628 HA3 GLY 76 3HA GLY 76 18.383 5.151 -19.192 629 H GLU 77 H GLU 77 19.428 6.974 -18.712 630 HA GLU 77 HA GLU 77 22.055 7.071 -17.914 631 HB2 GLU 77 2HB GLU 77 21.751 9.453 -17.558 632 HB3 GLU 77 3HB GLU 77 20.855 8.942 -18.981 633 HG2 GLU 77 2HG GLU 77 19.107 9.992 -18.120 634 HG3 GLU 77 3HG GLU 77 19.023 8.696 -16.928 635 H GLY 78 H GLY 78 19.187 6.930 -15.933 636 HA2 GLY 78 2HA GLY 78 20.686 7.503 -13.498 637 HA3 GLY 78 3HA GLY 78 18.954 7.227 -13.615 638 H ALA 79 H ALA 79 21.580 5.190 -14.834 639 HA ALA 79 HA ALA 79 20.831 3.144 -12.857 640 HB1 ALA 79 1HB ALA 79 20.172 2.992 -15.524 641 HB2 ALA 79 2HB ALA 79 21.649 2.033 -15.419 642 HB3 ALA 79 3HB ALA 79 20.265 1.635 -14.400 643 H ASP 80 H ASP 80 22.480 1.813 -12.134 644 HA ASP 80 HA ASP 80 25.184 2.771 -12.750 645 HB2 ASP 80 2HB ASP 80 24.194 2.656 -10.351 646 HB3 ASP 80 3HB ASP 80 24.509 0.927 -10.476 647 H GLN 81 H GLN 81 23.774 0.990 -14.534 648 HA GLN 81 HA GLN 81 25.598 -1.314 -14.400 649 HB2 GLN 81 2HB GLN 81 22.644 -1.269 -14.832 650 HB3 GLN 81 3HB GLN 81 23.600 -2.484 -15.670 651 HG2 GLN 81 2HG GLN 81 23.994 -2.138 -12.746 652 HG3 GLN 81 3HG GLN 81 22.538 -2.951 -13.315 653 HE21 GLN 81 1HE2 GLN 81 22.903 -5.020 -12.844 654 HE22 GLN 81 2HE2 GLN 81 24.271 -5.935 -13.370 655 H ALA 82 H ALA 82 25.650 -2.461 -16.616 656 HA ALA 82 HA ALA 82 25.969 -0.376 -18.665 657 HB1 ALA 82 1HB ALA 82 28.009 -1.239 -18.862 658 HB2 ALA 82 2HB ALA 82 27.595 -2.619 -17.844 659 HB3 ALA 82 3HB ALA 82 27.255 -2.665 -19.574 660 H SER 83 H SER 83 24.639 -0.359 -20.349 661 HA SER 83 HA SER 83 23.626 -2.787 -21.516 662 HB2 SER 83 2HB SER 83 21.857 -0.979 -19.902 663 HB3 SER 83 3HB SER 83 21.199 -1.831 -21.299 664 HG SER 83 HG SER 83 20.976 -3.011 -19.329 665 H GLY 84 H GLY 84 23.325 -2.521 -23.648 666 HA2 GLY 84 2HA GLY 84 23.493 0.224 -24.690 667 HA3 GLY 84 3HA GLY 84 23.926 -1.231 -25.575 668 H TYR 85 H TYR 85 22.578 -0.214 -27.256 669 HA TYR 85 HA TYR 85 19.824 0.211 -26.974 670 HB2 TYR 85 2HB TYR 85 21.537 0.719 -28.945 671 HB3 TYR 85 3HB TYR 85 20.883 -0.788 -29.577 672 HD1 TYR 85 HD2 TYR 85 19.375 2.159 -27.832 673 HD2 TYR 85 HD1 TYR 85 19.342 -0.388 -31.240 674 HE1 TYR 85 HE2 TYR 85 17.431 3.379 -28.717 675 HE2 TYR 85 HE1 TYR 85 17.399 0.826 -32.135 676 HH TYR 85 HH TYR 85 16.491 3.720 -31.293 677 H VAL 86 H VAL 86 18.211 -1.120 -28.380 678 HA VAL 86 HA VAL 86 18.663 -3.981 -28.324 679 HB VAL 86 HB VAL 86 17.948 -3.690 -26.050 680 HG11 VAL 86 1HG1 VAL 86 16.214 -1.682 -27.218 681 HG12 VAL 86 2HG1 VAL 86 15.347 -2.748 -26.112 682 HG13 VAL 86 3HG1 VAL 86 16.768 -1.865 -25.555 683 HG21 VAL 86 3HG2 VAL 86 16.852 -5.446 -27.709 684 HG22 VAL 86 1HG2 VAL 86 16.364 -5.329 -26.019 685 HG23 VAL 86 2HG2 VAL 86 15.388 -4.565 -27.273 686 HA PRO 87 HA PRO 87 15.951 -2.485 -31.762 687 HB2 PRO 87 2HB PRO 87 17.206 -3.939 -33.680 688 HB3 PRO 87 3HB PRO 87 17.754 -2.335 -33.179 689 HG2 PRO 87 2HG PRO 87 18.781 -5.027 -32.367 690 HG3 PRO 87 3HG PRO 87 19.689 -3.564 -32.791 691 HD2 PRO 87 2HD PRO 87 19.273 -4.330 -30.227 692 HD3 PRO 87 3HD PRO 87 19.392 -2.625 -30.707 693 HA PRO 88 HA PRO 88 13.315 -5.998 -31.975 694 HB2 PRO 88 2HB PRO 88 12.406 -5.914 -34.531 695 HB3 PRO 88 3HB PRO 88 11.906 -4.754 -33.296 696 HG2 PRO 88 2HG PRO 88 13.968 -4.460 -35.446 697 HG3 PRO 88 3HG PRO 88 12.743 -3.298 -34.904 698 HD2 PRO 88 2HD PRO 88 15.333 -3.154 -34.127 699 HD3 PRO 88 3HD PRO 88 13.993 -2.639 -33.083 700 H ALA 89 H ALA 89 12.710 -7.829 -33.766 701 HA ALA 89 HA ALA 89 15.248 -8.962 -34.736 702 HB1 ALA 89 1HB ALA 89 14.956 -10.958 -33.685 703 HB2 ALA 89 2HB ALA 89 14.151 -9.912 -32.515 704 HB3 ALA 89 3HB ALA 89 13.197 -10.827 -33.681 705 H GLN 90 H GLN 90 14.787 -8.426 -36.868 706 HA GLN 90 HA GLN 90 12.434 -9.752 -38.043 707 HB2 GLN 90 2HB GLN 90 12.449 -7.287 -38.261 708 HB3 GLN 90 3HB GLN 90 13.981 -7.388 -39.119 709 HG2 GLN 90 2HG GLN 90 12.665 -8.960 -40.721 710 HG3 GLN 90 3HG GLN 90 11.251 -8.174 -40.019 711 HE21 GLN 90 1HE2 GLN 90 13.175 -8.101 -42.589 712 HE22 GLN 90 2HE2 GLN 90 13.109 -6.424 -42.998 713 H GLY 91 H GLY 91 13.527 -11.752 -38.271 714 HA2 GLY 91 2HA GLY 91 15.998 -11.954 -39.703 715 HA3 GLY 91 3HA GLY 91 14.939 -13.285 -39.260 Start of MODEL 14 1 H1 MET 1 H MET 1 -3.508 -0.845 -2.685 2 HA MET 1 HA MET 1 -1.363 0.648 -4.039 3 HB2 MET 1 2HB MET 1 -1.360 -1.553 -2.033 4 HB3 MET 1 3HB MET 1 -0.062 -1.527 -3.219 5 HG2 MET 1 2HG MET 1 0.739 0.536 -2.469 6 HG3 MET 1 3HG MET 1 -0.747 0.891 -1.591 7 HE1 MET 1 3HE MET 1 -1.264 -1.045 0.939 8 HE2 MET 1 1HE MET 1 -0.143 0.027 1.779 9 HE3 MET 1 2HE MET 1 -1.168 0.658 0.489 10 H ALA 2 H ALA 2 -0.014 -0.666 -5.546 11 HA ALA 2 HA ALA 2 -1.728 -2.498 -7.092 12 HB1 ALA 2 1HB ALA 2 -1.365 -1.078 -8.767 13 HB2 ALA 2 2HB ALA 2 -0.110 -0.223 -7.868 14 HB3 ALA 2 3HB ALA 2 0.296 -1.671 -8.790 15 H ARG 3 H ARG 3 1.768 -1.855 -7.131 16 HA ARG 3 HA ARG 3 2.240 -4.677 -6.456 17 HB2 ARG 3 2HB ARG 3 2.552 -3.659 -9.001 18 HB3 ARG 3 3HB ARG 3 4.179 -3.561 -8.340 19 HG2 ARG 3 2HG ARG 3 3.852 -5.653 -9.515 20 HG3 ARG 3 3HG ARG 3 4.098 -5.942 -7.791 21 HD2 ARG 3 2HD ARG 3 1.338 -5.630 -8.116 22 HD3 ARG 3 3HD ARG 3 1.861 -6.635 -9.467 23 HE ARG 3 HE ARG 3 3.027 -7.605 -7.108 24 HH11 ARG 3 1HH1 ARG 3 -0.089 -7.339 -8.638 25 HH12 ARG 3 2HH1 ARG 3 -0.734 -8.750 -7.866 26 HH21 ARG 3 1HH2 ARG 3 2.189 -9.465 -6.085 27 HH22 ARG 3 2HH2 ARG 3 0.563 -9.958 -6.413 28 H MET 4 H MET 4 4.963 -4.725 -6.526 29 HA MET 4 HA MET 4 5.825 -2.554 -4.743 30 HB2 MET 4 2HB MET 4 7.088 -4.344 -3.437 31 HB3 MET 4 3HB MET 4 5.347 -4.275 -3.204 32 HG2 MET 4 2HG MET 4 4.994 -6.283 -4.176 33 HG3 MET 4 3HG MET 4 6.322 -6.087 -5.318 34 HE1 MET 4 3HE MET 4 6.814 -8.243 -5.293 35 HE2 MET 4 1HE MET 4 8.450 -8.374 -4.647 36 HE3 MET 4 2HE MET 4 7.142 -9.312 -3.929 37 H ILE 5 H ILE 5 7.216 -1.572 -6.120 38 HA ILE 5 HA ILE 5 9.611 -3.068 -6.851 39 HB ILE 5 HB ILE 5 9.627 -2.396 -9.135 40 HG12 ILE 5 2HG1 ILE 5 7.125 -1.259 -9.661 41 HG13 ILE 5 3HG1 ILE 5 7.696 -0.439 -8.211 42 HG21 ILE 5 1HG2 ILE 5 6.905 -3.461 -8.399 43 HG22 ILE 5 2HG2 ILE 5 7.609 -3.509 -10.014 44 HG23 ILE 5 3HG2 ILE 5 8.362 -4.408 -8.698 45 HD11 ILE 5 3HD1 ILE 5 9.145 -0.643 -10.840 46 HD12 ILE 5 1HD1 ILE 5 8.353 0.786 -10.178 47 HD13 ILE 5 2HD1 ILE 5 9.781 0.122 -9.384 48 H HIS 6 H HIS 6 11.281 -1.517 -7.830 49 HA HIS 6 HA HIS 6 11.239 0.950 -6.236 50 HB2 HIS 6 2HB HIS 6 13.741 0.920 -6.677 51 HB3 HIS 6 3HB HIS 6 13.122 -0.375 -5.656 52 HD1 HIS 6 HD1 HIS 6 12.990 -2.769 -6.751 53 HD2 HIS 6 HD2 HIS 6 14.949 0.107 -9.021 54 HE1 HIS 6 HE1 HIS 6 14.251 -4.047 -8.512 55 H CYS 7 H CYS 7 10.306 2.477 -7.495 56 HA CYS 7 HA CYS 7 10.282 2.759 -10.204 57 HB2 CYS 7 2HB CYS 7 10.231 5.304 -9.695 58 HB3 CYS 7 3HB CYS 7 8.950 4.285 -9.048 59 HG CYS 7 HG CYS 7 9.356 5.870 -6.946 60 H ALA 8 H ALA 8 11.874 2.756 -11.635 61 HA ALA 8 HA ALA 8 14.574 3.402 -10.928 62 HB1 ALA 8 1HB ALA 8 15.176 2.524 -12.954 63 HB2 ALA 8 2HB ALA 8 13.623 1.721 -12.714 64 HB3 ALA 8 3HB ALA 8 13.734 3.129 -13.770 65 H LYS 9 H LYS 9 11.914 5.236 -11.894 66 HA LYS 9 HA LYS 9 13.456 7.294 -13.245 67 HB2 LYS 9 2HB LYS 9 10.683 6.544 -13.085 68 HB3 LYS 9 3HB LYS 9 10.862 8.243 -12.666 69 HG2 LYS 9 2HG LYS 9 10.775 8.604 -14.862 70 HG3 LYS 9 3HG LYS 9 12.445 8.032 -14.882 71 HD2 LYS 9 2HD LYS 9 10.201 6.066 -15.064 72 HD3 LYS 9 3HD LYS 9 10.682 6.980 -16.495 73 HE2 LYS 9 2HE LYS 9 13.061 6.205 -15.964 74 HE3 LYS 9 3HE LYS 9 12.308 5.048 -14.868 75 HZ1 LYS 9 3HZ LYS 9 11.918 3.730 -16.584 76 HZ2 LYS 9 1HZ LYS 9 12.645 4.839 -17.634 77 HZ3 LYS 9 2HZ LYS 9 10.984 4.926 -17.332 78 H LEU 10 H LEU 10 11.658 6.885 -10.217 79 HA LEU 10 HA LEU 10 12.425 9.507 -9.271 80 HB2 LEU 10 2HB LEU 10 10.441 7.594 -8.630 81 HB3 LEU 10 3HB LEU 10 11.415 7.846 -7.183 82 HG LEU 10 HG LEU 10 10.952 10.407 -7.906 83 HD11 LEU 10 1HD1 LEU 10 8.447 10.428 -8.401 84 HD12 LEU 10 2HD1 LEU 10 8.664 8.762 -8.934 85 HD13 LEU 10 3HD1 LEU 10 9.539 10.065 -9.737 86 HD21 LEU 10 3HD2 LEU 10 9.780 10.510 -5.970 87 HD22 LEU 10 1HD2 LEU 10 10.422 8.879 -5.779 88 HD23 LEU 10 2HD2 LEU 10 8.777 9.115 -6.372 89 H GLY 11 H GLY 11 13.158 6.131 -8.429 90 HA2 GLY 11 2HA GLY 11 15.374 5.443 -7.850 91 HA3 GLY 11 3HA GLY 11 15.692 7.071 -7.271 92 H LYS 12 H LYS 12 12.931 4.975 -6.548 93 HA LYS 12 HA LYS 12 13.899 4.298 -3.934 94 HB2 LYS 12 2HB LYS 12 11.768 5.450 -2.907 95 HB3 LYS 12 3HB LYS 12 13.260 6.357 -3.126 96 HG2 LYS 12 2HG LYS 12 11.963 7.864 -4.136 97 HG3 LYS 12 3HG LYS 12 12.012 6.762 -5.514 98 HD2 LYS 12 2HD LYS 12 9.745 7.072 -5.281 99 HD3 LYS 12 3HD LYS 12 9.987 5.632 -4.289 100 HE2 LYS 12 2HE LYS 12 8.603 7.119 -3.051 101 HE3 LYS 12 3HE LYS 12 10.200 7.150 -2.305 102 HZ1 LYS 12 3HZ LYS 12 9.669 9.369 -2.431 103 HZ2 LYS 12 1HZ LYS 12 8.864 9.222 -3.911 104 HZ3 LYS 12 2HZ LYS 12 10.554 9.168 -3.858 105 H GLU 13 H GLU 13 11.574 3.685 -2.647 106 HA GLU 13 HA GLU 13 10.606 1.472 -4.259 107 HB2 GLU 13 2HB GLU 13 10.819 2.083 -1.413 108 HB3 GLU 13 3HB GLU 13 9.272 1.363 -1.837 109 HG2 GLU 13 2HG GLU 13 10.402 -0.531 -2.844 110 HG3 GLU 13 3HG GLU 13 11.969 0.198 -2.495 111 H ALA 14 H ALA 14 8.826 1.604 -5.437 112 HA ALA 14 HA ALA 14 6.598 3.259 -4.482 113 HB1 ALA 14 1HB ALA 14 7.864 3.370 -7.205 114 HB2 ALA 14 2HB ALA 14 6.220 3.932 -6.902 115 HB3 ALA 14 3HB ALA 14 7.578 4.691 -6.072 116 H GLU 15 H GLU 15 4.586 2.809 -5.890 117 HA GLU 15 HA GLU 15 4.149 -0.035 -5.830 118 HB2 GLU 15 2HB GLU 15 1.828 0.524 -6.387 119 HB3 GLU 15 3HB GLU 15 2.414 1.494 -5.043 120 HG2 GLU 15 2HG GLU 15 2.982 2.992 -7.323 121 HG3 GLU 15 3HG GLU 15 1.372 2.327 -7.590 122 H GLY 16 H GLY 16 4.504 -1.373 -7.466 123 HA2 GLY 16 2HA GLY 16 5.329 -0.526 -10.023 124 HA3 GLY 16 3HA GLY 16 4.865 -2.165 -9.589 125 H LEU 17 H LEU 17 4.309 -1.065 -12.086 126 HA LEU 17 HA LEU 17 1.593 -0.116 -12.142 127 HB2 LEU 17 2HB LEU 17 3.691 -0.738 -14.152 128 HB3 LEU 17 3HB LEU 17 2.012 -0.717 -14.687 129 HG LEU 17 HG LEU 17 1.784 1.593 -14.070 130 HD11 LEU 17 1HD1 LEU 17 4.604 1.398 -13.022 131 HD12 LEU 17 2HD1 LEU 17 3.142 1.580 -12.052 132 HD13 LEU 17 3HD1 LEU 17 3.645 2.874 -13.139 133 HD21 LEU 17 3HD2 LEU 17 3.936 2.457 -15.396 134 HD22 LEU 17 1HD2 LEU 17 2.571 1.674 -16.193 135 HD23 LEU 17 2HD2 LEU 17 4.020 0.745 -15.812 136 H ASP 18 H ASP 18 3.202 -3.174 -12.302 137 HA ASP 18 HA ASP 18 2.475 -5.303 -12.750 138 HB2 ASP 18 2HB ASP 18 0.577 -5.970 -11.404 139 HB3 ASP 18 3HB ASP 18 1.532 -4.794 -10.504 140 H PHE 19 H PHE 19 2.015 -3.583 -14.928 141 HA PHE 19 HA PHE 19 -0.030 -5.070 -16.295 142 HB2 PHE 19 2HB PHE 19 -1.207 -3.127 -15.086 143 HB3 PHE 19 3HB PHE 19 -0.395 -2.082 -16.247 144 HD1 PHE 19 HD2 PHE 19 -0.681 -2.839 -18.767 145 HD2 PHE 19 HD1 PHE 19 -3.314 -3.876 -15.587 146 HE1 PHE 19 HE2 PHE 19 -2.479 -3.252 -20.395 147 HE2 PHE 19 HE1 PHE 19 -5.116 -4.292 -17.210 148 HZ PHE 19 HZ PHE 19 -4.700 -3.979 -19.618 149 HA PRO 20 HA PRO 20 3.447 -4.007 -19.032 150 HB2 PRO 20 2HB PRO 20 3.187 -6.234 -20.562 151 HB3 PRO 20 3HB PRO 20 4.051 -6.224 -19.020 152 HG2 PRO 20 2HG PRO 20 1.259 -7.123 -19.622 153 HG3 PRO 20 3HG PRO 20 2.486 -7.892 -18.597 154 HD2 PRO 20 2HD PRO 20 0.460 -6.410 -17.582 155 HD3 PRO 20 3HD PRO 20 2.061 -6.488 -16.819 156 HA PRO 21 HA PRO 21 0.445 -2.230 -21.897 157 HB2 PRO 21 2HB PRO 21 2.178 -0.419 -22.940 158 HB3 PRO 21 3HB PRO 21 1.352 -0.179 -21.396 159 HG2 PRO 21 2HG PRO 21 4.138 -1.137 -21.925 160 HG3 PRO 21 3HG PRO 21 3.564 0.018 -20.708 161 HD2 PRO 21 2HD PRO 21 4.122 -2.566 -20.118 162 HD3 PRO 21 3HD PRO 21 2.852 -1.648 -19.282 163 H LEU 22 H LEU 22 3.837 -2.827 -22.834 164 HA LEU 22 HA LEU 22 2.915 -3.636 -25.497 165 HB2 LEU 22 2HB LEU 22 4.906 -1.970 -24.854 166 HB3 LEU 22 3HB LEU 22 5.803 -3.487 -24.860 167 HG LEU 22 HG LEU 22 5.157 -3.870 -27.183 168 HD11 LEU 22 1HD1 LEU 22 4.109 -1.913 -28.405 169 HD12 LEU 22 2HD1 LEU 22 3.648 -1.298 -26.818 170 HD13 LEU 22 3HD1 LEU 22 3.040 -2.859 -27.369 171 HD21 LEU 22 3HD2 LEU 22 6.536 -2.185 -28.189 172 HD22 LEU 22 1HD2 LEU 22 7.206 -2.581 -26.606 173 HD23 LEU 22 2HD2 LEU 22 6.281 -1.095 -26.826 174 HA PRO 23 HA PRO 23 3.495 -7.897 -24.505 175 HB2 PRO 23 2HB PRO 23 3.585 -8.867 -27.039 176 HB3 PRO 23 3HB PRO 23 2.087 -8.333 -26.267 177 HG2 PRO 23 2HG PRO 23 3.846 -6.875 -28.203 178 HG3 PRO 23 3HG PRO 23 2.076 -6.978 -28.157 179 HD2 PRO 23 2HD PRO 23 3.435 -4.830 -27.223 180 HD3 PRO 23 3HD PRO 23 1.899 -5.370 -26.515 181 H GLY 24 H GLY 24 5.709 -6.054 -26.443 182 HA2 GLY 24 2HA GLY 24 7.663 -8.017 -26.943 183 HA3 GLY 24 3HA GLY 24 7.951 -6.285 -26.875 184 H GLU 25 H GLU 25 10.022 -6.936 -25.938 185 HA GLU 25 HA GLU 25 9.966 -8.040 -23.259 186 HB2 GLU 25 2HB GLU 25 12.417 -7.865 -23.372 187 HB3 GLU 25 3HB GLU 25 11.757 -8.720 -24.760 188 HG2 GLU 25 2HG GLU 25 11.940 -6.640 -26.080 189 HG3 GLU 25 3HG GLU 25 12.705 -5.865 -24.694 190 H LEU 26 H LEU 26 10.664 -4.953 -24.828 191 HA LEU 26 HA LEU 26 11.587 -3.543 -22.604 192 HB2 LEU 26 2HB LEU 26 11.270 -2.952 -25.199 193 HB3 LEU 26 3HB LEU 26 9.879 -2.096 -24.537 194 HG LEU 26 HG LEU 26 12.794 -1.625 -23.955 195 HD11 LEU 26 1HD1 LEU 26 10.736 -0.355 -25.584 196 HD12 LEU 26 2HD1 LEU 26 12.491 -0.212 -25.656 197 HD13 LEU 26 3HD1 LEU 26 11.574 0.762 -24.507 198 HD21 LEU 26 3HD2 LEU 26 12.031 0.103 -22.367 199 HD22 LEU 26 1HD2 LEU 26 11.629 -1.532 -21.841 200 HD23 LEU 26 2HD2 LEU 26 10.381 -0.498 -22.538 201 H GLY 27 H GLY 27 8.279 -3.630 -23.946 202 HA2 GLY 27 2HA GLY 27 7.006 -2.078 -22.051 203 HA3 GLY 27 3HA GLY 27 6.239 -3.401 -22.915 204 H LYS 28 H LYS 28 7.320 -5.629 -21.974 205 HA LYS 28 HA LYS 28 6.100 -6.011 -19.493 206 HB2 LYS 28 2HB LYS 28 6.571 -7.830 -21.086 207 HB3 LYS 28 3HB LYS 28 8.292 -7.658 -20.768 208 HG2 LYS 28 2HG LYS 28 7.812 -8.207 -18.372 209 HG3 LYS 28 3HG LYS 28 6.161 -8.591 -18.863 210 HD2 LYS 28 2HD LYS 28 7.319 -10.129 -20.611 211 HD3 LYS 28 3HD LYS 28 8.716 -9.995 -19.541 212 HE2 LYS 28 2HE LYS 28 6.039 -10.714 -18.423 213 HE3 LYS 28 3HE LYS 28 7.013 -11.943 -19.227 214 HZ1 LYS 28 3HZ LYS 28 7.394 -10.679 -16.657 215 HZ2 LYS 28 1HZ LYS 28 8.803 -10.814 -17.583 216 HZ3 LYS 28 2HZ LYS 28 7.904 -12.196 -17.204 217 H ARG 29 H ARG 29 9.217 -4.790 -20.287 218 HA ARG 29 HA ARG 29 10.270 -5.243 -17.609 219 HB2 ARG 29 2HB ARG 29 11.466 -4.011 -20.092 220 HB3 ARG 29 3HB ARG 29 12.302 -4.072 -18.545 221 HG2 ARG 29 2HG ARG 29 12.513 -6.388 -18.610 222 HG3 ARG 29 3HG ARG 29 11.246 -6.562 -19.825 223 HD2 ARG 29 2HD ARG 29 13.451 -6.929 -20.799 224 HD3 ARG 29 3HD ARG 29 12.684 -5.497 -21.486 225 HE ARG 29 HE ARG 29 14.177 -4.477 -19.484 226 HH11 ARG 29 1HH1 ARG 29 14.895 -6.648 -22.109 227 HH12 ARG 29 2HH1 ARG 29 16.545 -6.141 -22.250 228 HH21 ARG 29 1HH2 ARG 29 16.348 -3.801 -19.659 229 HH22 ARG 29 2HH2 ARG 29 17.371 -4.522 -20.855 230 H LEU 30 H LEU 30 8.608 -2.841 -19.374 231 HA LEU 30 HA LEU 30 9.563 -0.571 -17.909 232 HB2 LEU 30 2HB LEU 30 7.374 -1.080 -19.869 233 HB3 LEU 30 3HB LEU 30 7.342 0.400 -18.912 234 HG LEU 30 HG LEU 30 9.642 -0.414 -20.684 235 HD11 LEU 30 1HD1 LEU 30 8.607 1.665 -21.966 236 HD12 LEU 30 2HD1 LEU 30 7.121 1.035 -21.257 237 HD13 LEU 30 3HD1 LEU 30 8.104 0.008 -22.301 238 HD21 LEU 30 3HD2 LEU 30 9.738 1.287 -18.631 239 HD22 LEU 30 1HD2 LEU 30 9.119 2.382 -19.867 240 HD23 LEU 30 2HD2 LEU 30 10.647 1.539 -20.122 241 H TYR 31 H TYR 31 6.620 -2.555 -17.815 242 HA TYR 31 HA TYR 31 5.417 -1.129 -15.676 243 HB2 TYR 31 2HB TYR 31 3.681 -2.600 -15.884 244 HB3 TYR 31 3HB TYR 31 4.457 -2.892 -17.436 245 HD1 TYR 31 HD1 TYR 31 3.837 -4.240 -14.082 246 HD2 TYR 31 HD2 TYR 31 5.624 -4.966 -17.874 247 HE1 TYR 31 HE1 TYR 31 4.063 -6.621 -13.512 248 HE2 TYR 31 HE2 TYR 31 5.855 -7.350 -17.315 249 HH TYR 31 HH TYR 31 4.617 -8.991 -15.703 250 H GLU 32 H GLU 32 7.897 -3.484 -15.825 251 HA GLU 32 HA GLU 32 7.596 -4.156 -12.987 252 HB2 GLU 32 2HB GLU 32 8.901 -6.045 -13.359 253 HB3 GLU 32 3HB GLU 32 7.992 -5.902 -14.857 254 HG2 GLU 32 2HG GLU 32 9.973 -6.126 -15.849 255 HG3 GLU 32 3HG GLU 32 10.206 -4.431 -15.425 256 H SER 33 H SER 33 9.003 -1.813 -14.748 257 HA SER 33 HA SER 33 11.341 -1.625 -12.963 258 HB2 SER 33 2HB SER 33 10.950 -0.709 -15.808 259 HB3 SER 33 3HB SER 33 12.235 -0.057 -14.792 260 HG SER 33 HG SER 33 11.845 -2.743 -15.602 261 H VAL 34 H VAL 34 8.732 0.171 -14.526 262 HA VAL 34 HA VAL 34 9.305 2.529 -12.906 263 HB VAL 34 HB VAL 34 7.707 3.700 -14.231 264 HG11 VAL 34 1HG1 VAL 34 9.968 2.576 -15.276 265 HG12 VAL 34 2HG1 VAL 34 8.744 2.123 -16.464 266 HG13 VAL 34 3HG1 VAL 34 8.996 3.821 -16.058 267 HG21 VAL 34 3HG2 VAL 34 6.742 1.926 -16.141 268 HG22 VAL 34 1HG2 VAL 34 6.588 1.061 -14.612 269 HG23 VAL 34 2HG2 VAL 34 5.833 2.642 -14.810 270 H SER 35 H SER 35 7.232 3.662 -12.055 271 HA SER 35 HA SER 35 5.325 1.749 -10.934 272 HB2 SER 35 2HB SER 35 7.391 3.203 -9.421 273 HB3 SER 35 3HB SER 35 5.764 3.342 -8.755 274 HG SER 35 HG SER 35 7.135 1.475 -8.086 275 H LYS 36 H LYS 36 3.799 3.216 -9.379 276 HA LYS 36 HA LYS 36 2.516 5.027 -11.200 277 HB2 LYS 36 2HB LYS 36 1.424 3.421 -9.484 278 HB3 LYS 36 3HB LYS 36 1.758 4.688 -8.311 279 HG2 LYS 36 2HG LYS 36 0.222 6.123 -9.214 280 HG3 LYS 36 3HG LYS 36 0.338 5.409 -10.824 281 HD2 LYS 36 2HD LYS 36 -0.696 3.315 -9.662 282 HD3 LYS 36 3HD LYS 36 -1.210 4.480 -8.440 283 HE2 LYS 36 2HE LYS 36 -2.397 5.763 -10.106 284 HE3 LYS 36 3HE LYS 36 -1.790 4.719 -11.390 285 HZ1 LYS 36 3HZ LYS 36 -3.823 4.141 -9.341 286 HZ2 LYS 36 1HZ LYS 36 -2.947 2.871 -10.037 287 HZ3 LYS 36 2HZ LYS 36 -3.886 3.885 -11.012 288 H GLN 37 H GLN 37 4.806 5.314 -8.670 289 HA GLN 37 HA GLN 37 4.216 7.995 -7.896 290 HB2 GLN 37 2HB GLN 37 5.596 6.180 -6.648 291 HB3 GLN 37 3HB GLN 37 6.934 6.747 -7.639 292 HG2 GLN 37 2HG GLN 37 6.872 7.789 -5.414 293 HG3 GLN 37 3HG GLN 37 6.742 8.960 -6.726 294 HE21 GLN 37 1HE2 GLN 37 4.943 10.195 -6.903 295 HE22 GLN 37 2HE2 GLN 37 3.636 10.165 -5.774 296 H ALA 38 H ALA 38 6.637 6.542 -10.055 297 HA ALA 38 HA ALA 38 7.517 9.162 -10.944 298 HB1 ALA 38 1HB ALA 38 8.502 6.405 -11.164 299 HB2 ALA 38 2HB ALA 38 8.793 7.416 -12.580 300 HB3 ALA 38 3HB ALA 38 9.389 7.921 -10.998 301 H TRP 39 H TRP 39 5.101 6.969 -11.770 302 HA TRP 39 HA TRP 39 4.982 6.993 -14.525 303 HB2 TRP 39 2HB TRP 39 3.417 5.644 -13.366 304 HB3 TRP 39 3HB TRP 39 2.799 7.014 -12.447 305 HD1 TRP 39 HD1 TRP 39 0.352 7.243 -13.193 306 HE1 TRP 39 HE1 TRP 39 -0.864 7.443 -15.453 307 HE3 TRP 39 HE3 TRP 39 4.314 6.437 -16.322 308 HZ2 TRP 39 HZ2 TRP 39 -0.229 7.281 -18.198 309 HZ3 TRP 39 HZ3 TRP 39 3.925 6.475 -18.752 310 HH2 TRP 39 HH2 TRP 39 1.700 6.888 -19.668 311 H GLN 40 H GLN 40 4.154 9.533 -12.260 312 HA GLN 40 HA GLN 40 2.741 11.205 -14.036 313 HB2 GLN 40 2HB GLN 40 4.373 11.934 -11.598 314 HB3 GLN 40 3HB GLN 40 3.237 13.001 -12.412 315 HG2 GLN 40 2HG GLN 40 2.025 10.471 -11.702 316 HG3 GLN 40 3HG GLN 40 2.694 11.305 -10.301 317 HE21 GLN 40 1HE2 GLN 40 -0.089 10.787 -11.066 318 HE22 GLN 40 2HE2 GLN 40 -0.857 12.333 -11.122 319 H ASP 41 H ASP 41 6.172 10.949 -13.235 320 HA ASP 41 HA ASP 41 6.930 13.173 -14.882 321 HB2 ASP 41 2HB ASP 41 8.198 12.335 -12.850 322 HB3 ASP 41 3HB ASP 41 8.740 10.989 -13.849 323 H TRP 42 H TRP 42 6.379 9.808 -15.369 324 HA TRP 42 HA TRP 42 7.953 9.589 -17.766 325 HB2 TRP 42 2HB TRP 42 7.503 7.637 -16.315 326 HB3 TRP 42 3HB TRP 42 5.789 7.761 -16.702 327 HD1 TRP 42 HD1 TRP 42 7.957 8.405 -19.670 328 HE1 TRP 42 HE1 TRP 42 7.949 6.355 -21.227 329 HE3 TRP 42 HE3 TRP 42 5.708 5.031 -16.557 330 HZ2 TRP 42 HZ2 TRP 42 7.101 3.664 -21.145 331 HZ3 TRP 42 HZ3 TRP 42 5.335 2.740 -17.373 332 HH2 TRP 42 HH2 TRP 42 6.017 2.072 -19.620 333 H LEU 43 H LEU 43 4.528 10.012 -16.988 334 HA LEU 43 HA LEU 43 3.657 9.928 -19.706 335 HB2 LEU 43 2HB LEU 43 1.526 10.350 -18.899 336 HB3 LEU 43 3HB LEU 43 2.302 9.479 -17.578 337 HG LEU 43 HG LEU 43 2.795 11.965 -16.758 338 HD11 LEU 43 1HD1 LEU 43 1.829 13.303 -18.355 339 HD12 LEU 43 2HD1 LEU 43 0.509 13.152 -17.196 340 HD13 LEU 43 3HD1 LEU 43 0.510 12.173 -18.663 341 HD21 LEU 43 3HD2 LEU 43 0.912 11.750 -15.283 342 HD22 LEU 43 1HD2 LEU 43 1.599 10.149 -15.558 343 HD23 LEU 43 2HD2 LEU 43 0.118 10.627 -16.388 344 H LYS 44 H LYS 44 4.914 12.376 -17.613 345 HA LYS 44 HA LYS 44 3.890 14.699 -18.718 346 HB2 LYS 44 2HB LYS 44 5.640 14.209 -16.756 347 HB3 LYS 44 3HB LYS 44 6.779 14.672 -18.014 348 HG2 LYS 44 2HG LYS 44 5.755 16.817 -18.248 349 HG3 LYS 44 3HG LYS 44 4.432 16.357 -17.174 350 HD2 LYS 44 2HD LYS 44 6.050 17.758 -16.006 351 HD3 LYS 44 3HD LYS 44 6.021 16.131 -15.321 352 HE2 LYS 44 2HE LYS 44 8.012 15.563 -16.656 353 HE3 LYS 44 3HE LYS 44 8.051 17.214 -17.274 354 HZ1 LYS 44 3HZ LYS 44 7.941 17.241 -14.452 355 HZ2 LYS 44 1HZ LYS 44 9.136 17.865 -15.475 356 HZ3 LYS 44 2HZ LYS 44 9.222 16.258 -14.955 357 H GLN 45 H GLN 45 6.974 13.131 -19.596 358 HA GLN 45 HA GLN 45 7.477 14.770 -21.826 359 HB2 GLN 45 2HB GLN 45 9.205 13.210 -22.401 360 HB3 GLN 45 3HB GLN 45 9.170 13.358 -20.649 361 HG2 GLN 45 2HG GLN 45 9.218 11.128 -20.675 362 HG3 GLN 45 3HG GLN 45 7.496 11.261 -21.029 363 HE21 GLN 45 1HE2 GLN 45 9.991 9.522 -21.841 364 HE22 GLN 45 2HE2 GLN 45 9.717 9.269 -23.528 365 H GLN 46 H GLN 46 5.633 11.824 -21.437 366 HA GLN 46 HA GLN 46 5.411 10.926 -24.029 367 HB2 GLN 46 2HB GLN 46 3.975 10.578 -21.570 368 HB3 GLN 46 3HB GLN 46 2.827 10.718 -22.896 369 HG2 GLN 46 2HG GLN 46 4.917 8.992 -23.726 370 HG3 GLN 46 3HG GLN 46 4.384 8.482 -22.125 371 HE21 GLN 46 1HE2 GLN 46 3.093 6.806 -22.408 372 HE22 GLN 46 2HE2 GLN 46 1.769 6.724 -23.515 373 H THR 47 H THR 47 3.622 13.538 -22.456 374 HA THR 47 HA THR 47 2.055 14.076 -24.825 375 HB THR 47 HB THR 47 2.281 15.605 -22.225 376 HG1 THR 47 HG1 THR 47 0.148 14.657 -21.940 377 HG21 THR 47 3HG2 THR 47 1.601 17.094 -24.021 378 HG22 THR 47 1HG2 THR 47 0.227 16.752 -22.970 379 HG23 THR 47 2HG2 THR 47 0.364 15.947 -24.534 380 H MET 48 H MET 48 5.044 15.119 -23.459 381 HA MET 48 HA MET 48 5.184 17.644 -24.790 382 HB2 MET 48 2HB MET 48 7.294 15.909 -23.503 383 HB3 MET 48 3HB MET 48 7.628 17.494 -24.188 384 HG2 MET 48 2HG MET 48 6.204 18.560 -22.598 385 HG3 MET 48 3HG MET 48 5.622 17.006 -22.005 386 HE1 MET 48 3HE MET 48 7.841 19.881 -21.260 387 HE2 MET 48 1HE MET 48 6.662 19.283 -20.092 388 HE3 MET 48 2HE MET 48 8.381 19.265 -19.697 389 H LEU 49 H LEU 49 6.101 14.359 -25.572 390 HA LEU 49 HA LEU 49 7.622 15.120 -27.903 391 HB2 LEU 49 2HB LEU 49 6.611 12.404 -27.075 392 HB3 LEU 49 3HB LEU 49 7.829 12.737 -28.305 393 HG LEU 49 HG LEU 49 8.065 12.763 -25.337 394 HD11 LEU 49 1HD1 LEU 49 10.080 11.987 -27.423 395 HD12 LEU 49 2HD1 LEU 49 8.804 10.892 -26.892 396 HD13 LEU 49 3HD1 LEU 49 9.994 11.487 -25.734 397 HD21 LEU 49 3HD2 LEU 49 10.277 14.005 -25.729 398 HD22 LEU 49 1HD2 LEU 49 8.791 14.954 -25.670 399 HD23 LEU 49 2HD2 LEU 49 9.533 14.573 -27.225 400 H ILE 50 H ILE 50 4.422 13.790 -27.217 401 HA ILE 50 HA ILE 50 3.639 13.294 -29.868 402 HB ILE 50 HB ILE 50 1.961 13.984 -27.456 403 HG12 ILE 50 2HG1 ILE 50 2.272 11.290 -28.759 404 HG13 ILE 50 3HG1 ILE 50 3.416 11.851 -27.545 405 HG21 ILE 50 1HG2 ILE 50 1.233 13.715 -30.239 406 HG22 ILE 50 2HG2 ILE 50 0.413 12.519 -29.237 407 HG23 ILE 50 3HG2 ILE 50 0.258 14.236 -28.866 408 HD11 ILE 50 3HD1 ILE 50 2.055 11.019 -26.015 409 HD12 ILE 50 1HD1 ILE 50 0.909 12.294 -26.427 410 HD13 ILE 50 2HD1 ILE 50 0.796 10.719 -27.214 411 H ASN 51 H ASN 51 3.510 16.200 -27.887 412 HA ASN 51 HA ASN 51 2.023 17.694 -29.854 413 HB2 ASN 51 2HB ASN 51 3.338 18.411 -27.240 414 HB3 ASN 51 3HB ASN 51 2.652 19.642 -28.296 415 HD21 ASN 51 1HD2 ASN 51 1.645 16.401 -27.252 416 HD22 ASN 51 2HD2 ASN 51 0.072 16.878 -26.719 417 H GLU 52 H GLU 52 5.370 17.584 -28.691 418 HA GLU 52 HA GLU 52 6.327 19.660 -30.361 419 HB2 GLU 52 2HB GLU 52 7.595 19.038 -28.419 420 HB3 GLU 52 3HB GLU 52 7.740 17.378 -28.980 421 HG2 GLU 52 2HG GLU 52 9.157 18.081 -30.806 422 HG3 GLU 52 3HG GLU 52 8.951 19.770 -30.347 423 H ASN 53 H ASN 53 7.061 16.176 -30.596 424 HA ASN 53 HA ASN 53 7.999 16.323 -33.247 425 HB2 ASN 53 2HB ASN 53 6.903 13.913 -31.780 426 HB3 ASN 53 3HB ASN 53 7.915 13.878 -33.221 427 HD21 ASN 53 1HD2 ASN 53 7.849 13.918 -29.855 428 HD22 ASN 53 2HD2 ASN 53 9.541 14.126 -29.574 429 H ARG 54 H ARG 54 4.833 16.247 -31.953 430 HA ARG 54 HA ARG 54 2.769 16.280 -32.909 431 HB2 ARG 54 2HB ARG 54 4.167 17.810 -34.526 432 HB3 ARG 54 3HB ARG 54 3.969 16.467 -35.644 433 HG2 ARG 54 2HG ARG 54 2.209 17.903 -36.149 434 HG3 ARG 54 3HG ARG 54 1.471 16.653 -35.144 435 HD2 ARG 54 2HD ARG 54 1.896 18.215 -33.178 436 HD3 ARG 54 3HD ARG 54 2.229 19.460 -34.381 437 HE ARG 54 HE ARG 54 -0.281 18.137 -34.791 438 HH11 ARG 54 1HH1 ARG 54 1.345 20.678 -33.054 439 HH12 ARG 54 2HH1 ARG 54 -0.095 21.609 -32.807 440 HH21 ARG 54 1HH2 ARG 54 -2.184 19.354 -34.473 441 HH22 ARG 54 2HH2 ARG 54 -2.102 20.854 -33.614 442 H LEU 55 H LEU 55 3.571 13.823 -32.285 443 HA LEU 55 HA LEU 55 3.442 12.039 -34.550 444 HB2 LEU 55 2HB LEU 55 3.299 11.389 -31.611 445 HB3 LEU 55 3HB LEU 55 3.622 10.261 -32.926 446 HG LEU 55 HG LEU 55 5.445 12.544 -32.178 447 HD11 LEU 55 1HD1 LEU 55 5.323 9.708 -31.235 448 HD12 LEU 55 2HD1 LEU 55 5.585 11.185 -30.309 449 HD13 LEU 55 3HD1 LEU 55 6.867 10.553 -31.342 450 HD21 LEU 55 3HD2 LEU 55 6.020 12.019 -34.335 451 HD22 LEU 55 1HD2 LEU 55 5.519 10.335 -34.177 452 HD23 LEU 55 2HD2 LEU 55 7.029 10.878 -33.445 453 H ASN 56 H ASN 56 1.855 10.195 -34.511 454 HA ASN 56 HA ASN 56 -0.822 11.251 -33.908 455 HB2 ASN 56 2HB ASN 56 -0.297 10.749 -36.298 456 HB3 ASN 56 3HB ASN 56 -0.077 9.059 -35.855 457 HD21 ASN 56 1HD2 ASN 56 -1.739 7.961 -36.598 458 HD22 ASN 56 2HD2 ASN 56 -3.401 8.407 -36.448 459 H MET 57 H MET 57 -1.111 10.559 -31.818 460 HA MET 57 HA MET 57 -0.378 8.138 -30.703 461 HB2 MET 57 2HB MET 57 -2.868 9.732 -30.069 462 HB3 MET 57 3HB MET 57 -2.106 8.543 -29.021 463 HG2 MET 57 2HG MET 57 -0.156 9.931 -28.783 464 HG3 MET 57 3HG MET 57 -0.796 11.086 -29.950 465 HE1 MET 57 3HE MET 57 -3.540 12.941 -28.186 466 HE2 MET 57 1HE MET 57 -2.851 12.378 -29.709 467 HE3 MET 57 2HE MET 57 -4.031 11.384 -28.856 468 H ALA 58 H ALA 58 -3.011 8.870 -32.851 469 HA ALA 58 HA ALA 58 -4.764 6.789 -32.412 470 HB1 ALA 58 1HB ALA 58 -4.684 7.020 -35.176 471 HB2 ALA 58 2HB ALA 58 -5.715 7.929 -34.069 472 HB3 ALA 58 3HB ALA 58 -4.168 8.600 -34.587 473 H ASP 59 H ASP 59 -1.610 6.720 -33.899 474 HA ASP 59 HA ASP 59 -1.963 3.862 -34.512 475 HB2 ASP 59 2HB ASP 59 -0.320 6.026 -35.743 476 HB3 ASP 59 3HB ASP 59 0.313 4.383 -35.779 477 HA PRO 60 HA PRO 60 0.921 2.636 -31.446 478 HB2 PRO 60 2HB PRO 60 2.300 0.658 -32.694 479 HB3 PRO 60 3HB PRO 60 0.624 0.474 -32.165 480 HG2 PRO 60 2HG PRO 60 1.692 1.095 -34.891 481 HG3 PRO 60 3HG PRO 60 0.391 -0.017 -34.426 482 HD2 PRO 60 2HD PRO 60 -0.092 2.457 -35.413 483 HD3 PRO 60 3HD PRO 60 -1.158 1.678 -34.226 484 H ARG 61 H ARG 61 2.102 3.750 -34.505 485 HA ARG 61 HA ARG 61 4.843 3.633 -34.203 486 HB2 ARG 61 2HB ARG 61 3.101 5.724 -35.502 487 HB3 ARG 61 3HB ARG 61 4.857 5.764 -35.594 488 HG2 ARG 61 2HG ARG 61 4.529 4.612 -37.489 489 HG3 ARG 61 3HG ARG 61 4.388 3.233 -36.397 490 HD2 ARG 61 2HD ARG 61 2.079 3.182 -36.551 491 HD3 ARG 61 3HD ARG 61 1.975 4.870 -37.050 492 HE ARG 61 HE ARG 61 2.276 2.595 -38.747 493 HH11 ARG 61 1HH1 ARG 61 3.037 5.977 -38.419 494 HH12 ARG 61 2HH1 ARG 61 3.158 6.249 -40.126 495 HH21 ARG 61 1HH2 ARG 61 2.432 2.941 -40.996 496 HH22 ARG 61 2HH2 ARG 61 2.813 4.522 -41.591 497 H ALA 62 H ALA 62 2.612 6.126 -33.018 498 HA ALA 62 HA ALA 62 4.490 7.878 -31.937 499 HB1 ALA 62 1HB ALA 62 1.626 7.457 -31.732 500 HB2 ALA 62 2HB ALA 62 2.328 8.055 -30.228 501 HB3 ALA 62 3HB ALA 62 2.553 8.958 -31.726 502 H ARG 63 H ARG 63 3.328 4.818 -30.778 503 HA ARG 63 HA ARG 63 4.434 5.221 -28.119 504 HB2 ARG 63 2HB ARG 63 3.056 2.848 -29.385 505 HB3 ARG 63 3HB ARG 63 3.619 2.895 -27.720 506 HG2 ARG 63 2HG ARG 63 1.601 3.651 -27.193 507 HG3 ARG 63 3HG ARG 63 2.076 5.173 -27.949 508 HD2 ARG 63 2HD ARG 63 1.155 4.437 -30.069 509 HD3 ARG 63 3HD ARG 63 0.750 2.869 -29.372 510 HE ARG 63 HE ARG 63 -0.699 5.339 -29.059 511 HH11 ARG 63 1HH1 ARG 63 -0.077 2.176 -27.746 512 HH12 ARG 63 2HH1 ARG 63 -1.577 2.096 -26.883 513 HH21 ARG 63 1HH2 ARG 63 -2.677 5.246 -27.927 514 HH22 ARG 63 2HH2 ARG 63 -3.056 3.843 -26.987 515 H GLN 64 H GLN 64 5.294 3.773 -31.142 516 HA GLN 64 HA GLN 64 7.317 2.032 -30.125 517 HB2 GLN 64 2HB GLN 64 6.175 1.722 -32.321 518 HB3 GLN 64 3HB GLN 64 7.025 3.139 -32.921 519 HG2 GLN 64 2HG GLN 64 9.016 2.059 -33.076 520 HG3 GLN 64 3HG GLN 64 8.654 0.966 -31.741 521 HE21 GLN 64 1HE2 GLN 64 6.711 -0.515 -32.261 522 HE22 GLN 64 2HE2 GLN 64 6.769 -1.289 -33.804 523 H TYR 65 H TYR 65 7.153 5.387 -30.888 524 HA TYR 65 HA TYR 65 10.044 5.680 -31.052 525 HB2 TYR 65 2HB TYR 65 8.787 7.054 -32.566 526 HB3 TYR 65 3HB TYR 65 7.773 7.662 -31.262 527 HD1 TYR 65 HD1 TYR 65 11.161 7.777 -32.725 528 HD2 TYR 65 HD2 TYR 65 8.474 9.493 -29.907 529 HE1 TYR 65 HE1 TYR 65 12.695 9.675 -32.427 530 HE2 TYR 65 HE2 TYR 65 10.001 11.397 -29.603 531 HH TYR 65 HH TYR 65 12.887 11.773 -31.582 532 H LEU 66 H LEU 66 7.383 6.463 -28.874 533 HA LEU 66 HA LEU 66 8.782 8.027 -27.029 534 HB2 LEU 66 2HB LEU 66 6.325 6.356 -26.940 535 HB3 LEU 66 3HB LEU 66 7.009 6.912 -25.414 536 HG LEU 66 HG LEU 66 6.229 8.754 -27.669 537 HD11 LEU 66 1HD1 LEU 66 4.293 9.291 -26.122 538 HD12 LEU 66 2HD1 LEU 66 4.665 7.779 -25.296 539 HD13 LEU 66 3HD1 LEU 66 4.203 7.763 -26.998 540 HD21 LEU 66 3HD2 LEU 66 6.548 9.458 -24.776 541 HD22 LEU 66 1HD2 LEU 66 6.604 10.507 -26.193 542 HD23 LEU 66 2HD2 LEU 66 7.943 9.410 -25.855 543 H MET 67 H MET 67 8.391 4.521 -27.252 544 HA MET 67 HA MET 67 9.545 3.798 -24.822 545 HB2 MET 67 2HB MET 67 9.987 1.622 -25.863 546 HB3 MET 67 3HB MET 67 8.375 2.204 -26.258 547 HG2 MET 67 2HG MET 67 8.906 2.594 -28.461 548 HG3 MET 67 3HG MET 67 10.630 2.746 -28.128 549 HE1 MET 67 3HE MET 67 11.040 1.699 -30.088 550 HE2 MET 67 1HE MET 67 11.764 0.104 -29.876 551 HE3 MET 67 2HE MET 67 10.219 0.267 -30.711 552 H LYS 68 H LYS 68 10.988 5.036 -27.701 553 HA LYS 68 HA LYS 68 13.643 4.099 -27.181 554 HB2 LYS 68 2HB LYS 68 12.746 6.389 -28.940 555 HB3 LYS 68 3HB LYS 68 14.313 5.591 -28.987 556 HG2 LYS 68 2HG LYS 68 11.824 4.002 -29.419 557 HG3 LYS 68 3HG LYS 68 12.490 4.979 -30.729 558 HD2 LYS 68 2HD LYS 68 13.501 2.920 -31.069 559 HD3 LYS 68 3HD LYS 68 14.722 3.797 -30.144 560 HE2 LYS 68 2HE LYS 68 14.372 2.554 -28.248 561 HE3 LYS 68 3HE LYS 68 12.700 2.184 -28.669 562 HZ1 LYS 68 3HZ LYS 68 15.167 0.943 -29.732 563 HZ2 LYS 68 1HZ LYS 68 13.674 0.781 -30.511 564 HZ3 LYS 68 2HZ LYS 68 13.875 0.194 -28.938 565 H GLN 69 H GLN 69 11.719 6.703 -26.046 566 HA GLN 69 HA GLN 69 14.000 8.290 -25.192 567 HB2 GLN 69 2HB GLN 69 12.066 9.493 -26.011 568 HB3 GLN 69 3HB GLN 69 11.025 8.686 -24.846 569 HG2 GLN 69 2HG GLN 69 11.454 10.901 -24.077 570 HG3 GLN 69 3HG GLN 69 12.303 9.770 -23.024 571 HE21 GLN 69 1HE2 GLN 69 13.172 12.202 -22.803 572 HE22 GLN 69 2HE2 GLN 69 14.660 12.463 -23.642 573 H THR 70 H THR 70 11.684 6.040 -23.884 574 HA THR 70 HA THR 70 12.426 6.605 -21.137 575 HB THR 70 HB THR 70 10.858 4.168 -21.751 576 HG1 THR 70 HG1 THR 70 9.798 5.392 -23.208 577 HG21 THR 70 3HG2 THR 70 10.183 6.448 -19.910 578 HG22 THR 70 1HG2 THR 70 11.340 5.197 -19.461 579 HG23 THR 70 2HG2 THR 70 9.666 4.766 -19.810 580 H GLU 71 H GLU 71 12.880 4.036 -23.527 581 HA GLU 71 HA GLU 71 14.194 2.207 -21.841 582 HB2 GLU 71 2HB GLU 71 13.235 1.825 -24.189 583 HB3 GLU 71 3HB GLU 71 14.748 2.491 -24.787 584 HG2 GLU 71 2HG GLU 71 15.936 0.726 -23.462 585 HG3 GLU 71 3HG GLU 71 14.360 0.003 -23.147 586 H LYS 72 H LYS 72 15.618 4.368 -24.300 587 HA LYS 72 HA LYS 72 18.283 3.950 -23.603 588 HB2 LYS 72 2HB LYS 72 17.492 5.072 -25.681 589 HB3 LYS 72 3HB LYS 72 17.082 6.489 -24.723 590 HG2 LYS 72 2HG LYS 72 19.176 6.903 -25.758 591 HG3 LYS 72 3HG LYS 72 19.481 6.626 -24.041 592 HD2 LYS 72 2HD LYS 72 19.690 4.103 -25.059 593 HD3 LYS 72 3HD LYS 72 20.328 5.078 -26.384 594 HE2 LYS 72 2HE LYS 72 21.508 6.196 -24.165 595 HE3 LYS 72 3HE LYS 72 21.477 4.478 -23.771 596 HZ1 LYS 72 3HZ LYS 72 22.349 4.376 -26.272 597 HZ2 LYS 72 1HZ LYS 72 23.386 4.503 -24.941 598 HZ3 LYS 72 2HZ LYS 72 22.976 5.883 -25.828 599 H TYR 73 H TYR 73 15.839 5.669 -21.954 600 HA TYR 73 HA TYR 73 17.433 7.579 -20.598 601 HB2 TYR 73 2HB TYR 73 14.690 6.795 -20.643 602 HB3 TYR 73 3HB TYR 73 15.224 6.826 -18.966 603 HD1 TYR 73 HD1 TYR 73 16.087 8.973 -21.901 604 HD2 TYR 73 HD2 TYR 73 14.442 8.766 -17.983 605 HE1 TYR 73 HE1 TYR 73 15.852 11.421 -21.877 606 HE2 TYR 73 HE2 TYR 73 14.201 11.213 -17.948 607 HH TYR 73 HH TYR 73 14.863 13.143 -18.985 608 H PHE 74 H PHE 74 15.805 4.791 -19.098 609 HA PHE 74 HA PHE 74 17.987 4.622 -17.163 610 HB2 PHE 74 2HB PHE 74 15.801 4.676 -16.174 611 HB3 PHE 74 3HB PHE 74 15.231 3.390 -17.232 612 HD1 PHE 74 HD2 PHE 74 17.943 3.988 -14.739 613 HD2 PHE 74 HD1 PHE 74 15.067 1.289 -16.338 614 HE1 PHE 74 HE2 PHE 74 18.568 2.321 -13.041 615 HE2 PHE 74 HE1 PHE 74 15.687 -0.382 -14.641 616 HZ PHE 74 HZ PHE 74 17.441 0.132 -12.991 617 H PHE 75 H PHE 75 16.178 2.530 -19.392 618 HA PHE 75 HA PHE 75 17.789 0.236 -18.946 619 HB2 PHE 75 2HB PHE 75 16.046 0.902 -21.329 620 HB3 PHE 75 3HB PHE 75 16.664 -0.694 -20.914 621 HD1 PHE 75 HD1 PHE 75 14.357 1.986 -19.880 622 HD2 PHE 75 HD2 PHE 75 15.598 -2.042 -19.286 623 HE1 PHE 75 HE1 PHE 75 12.357 1.577 -18.506 624 HE2 PHE 75 HE2 PHE 75 13.600 -2.458 -17.912 625 HZ PHE 75 HZ PHE 75 11.976 -0.648 -17.521 626 H GLY 76 H GLY 76 18.476 3.116 -20.468 627 HA2 GLY 76 2HA GLY 76 20.514 1.830 -22.180 628 HA3 GLY 76 3HA GLY 76 19.742 3.359 -22.572 629 H GLU 77 H GLU 77 20.761 5.173 -22.012 630 HA GLU 77 HA GLU 77 23.343 5.251 -21.066 631 HB2 GLU 77 2HB GLU 77 23.001 7.638 -20.669 632 HB3 GLU 77 3HB GLU 77 22.258 7.142 -22.183 633 HG2 GLU 77 2HG GLU 77 20.421 8.164 -21.488 634 HG3 GLU 77 3HG GLU 77 20.232 6.853 -20.325 635 H GLY 78 H GLY 78 20.364 5.102 -19.257 636 HA2 GLY 78 2HA GLY 78 20.070 4.495 -17.039 637 HA3 GLY 78 3HA GLY 78 21.817 4.468 -16.850 638 H ALA 79 H ALA 79 18.949 6.472 -16.780 639 HA ALA 79 HA ALA 79 20.177 8.937 -16.212 640 HB1 ALA 79 1HB ALA 79 17.641 8.175 -16.708 641 HB2 ALA 79 2HB ALA 79 17.556 8.437 -14.965 642 HB3 ALA 79 3HB ALA 79 18.080 9.742 -16.029 643 H ASP 80 H ASP 80 19.516 10.055 -13.994 644 HA ASP 80 HA ASP 80 20.403 8.279 -11.816 645 HB2 ASP 80 2HB ASP 80 21.984 10.195 -12.812 646 HB3 ASP 80 3HB ASP 80 21.062 11.176 -11.676 647 H GLN 81 H GLN 81 20.051 9.606 -9.624 648 HA GLN 81 HA GLN 81 17.306 10.672 -9.700 649 HB2 GLN 81 2HB GLN 81 17.043 9.627 -7.408 650 HB3 GLN 81 3HB GLN 81 17.109 8.504 -8.760 651 HG2 GLN 81 2HG GLN 81 19.329 7.872 -8.247 652 HG3 GLN 81 3HG GLN 81 19.510 9.193 -7.094 653 HE21 GLN 81 1HE2 GLN 81 19.107 5.979 -7.326 654 HE22 GLN 81 2HE2 GLN 81 18.328 5.656 -5.818 655 H ALA 82 H ALA 82 16.902 11.577 -7.261 656 HA ALA 82 HA ALA 82 19.095 12.912 -6.049 657 HB1 ALA 82 1HB ALA 82 18.111 15.250 -6.665 658 HB2 ALA 82 2HB ALA 82 19.230 14.442 -7.763 659 HB3 ALA 82 3HB ALA 82 17.497 14.399 -8.083 660 H SER 83 H SER 83 18.494 12.917 -3.993 661 HA SER 83 HA SER 83 15.785 13.809 -3.304 662 HB2 SER 83 2HB SER 83 15.502 11.478 -3.122 663 HB3 SER 83 3HB SER 83 17.114 11.246 -2.446 664 HG SER 83 HG SER 83 14.817 11.644 -1.155 665 H GLY 84 H GLY 84 15.578 14.766 -1.247 666 HA2 GLY 84 2HA GLY 84 18.162 15.583 -0.076 667 HA3 GLY 84 3HA GLY 84 16.713 16.577 -0.078 668 H TYR 85 H TYR 85 17.493 16.613 2.273 669 HA TYR 85 HA TYR 85 17.134 14.349 3.918 670 HB2 TYR 85 2HB TYR 85 18.237 16.743 4.340 671 HB3 TYR 85 3HB TYR 85 16.656 17.064 5.043 672 HD1 TYR 85 HD1 TYR 85 18.994 14.139 5.088 673 HD2 TYR 85 HD2 TYR 85 16.704 16.931 7.340 674 HE1 TYR 85 HE1 TYR 85 19.702 13.034 7.168 675 HE2 TYR 85 HE2 TYR 85 17.407 15.834 9.426 676 HH TYR 85 HH TYR 85 19.709 13.141 9.400 677 H VAL 86 H VAL 86 15.488 14.509 5.825 678 HA VAL 86 HA VAL 86 12.863 15.428 4.935 679 HB VAL 86 HB VAL 86 13.309 12.578 5.827 680 HG11 VAL 86 1HG1 VAL 86 11.139 12.806 6.365 681 HG12 VAL 86 2HG1 VAL 86 10.943 14.259 5.382 682 HG13 VAL 86 3HG1 VAL 86 10.876 12.666 4.627 683 HG21 VAL 86 3HG2 VAL 86 12.766 13.667 3.067 684 HG22 VAL 86 1HG2 VAL 86 14.256 12.900 3.617 685 HG23 VAL 86 2HG2 VAL 86 12.768 11.960 3.507 686 HA PRO 87 HA PRO 87 13.757 16.057 9.469 687 HB2 PRO 87 2HB PRO 87 13.123 18.697 9.481 688 HB3 PRO 87 3HB PRO 87 14.742 18.100 9.098 689 HG2 PRO 87 2HG PRO 87 12.556 18.965 7.246 690 HG3 PRO 87 3HG PRO 87 14.292 19.316 7.168 691 HD2 PRO 87 2HD PRO 87 13.123 17.403 5.650 692 HD3 PRO 87 3HD PRO 87 14.792 17.267 6.238 693 HA PRO 88 HA PRO 88 9.565 15.880 10.785 694 HB2 PRO 88 2HB PRO 88 9.610 17.260 13.122 695 HB3 PRO 88 3HB PRO 88 10.340 15.661 12.937 696 HG2 PRO 88 2HG PRO 88 11.643 18.355 12.882 697 HG3 PRO 88 3HG PRO 88 12.186 16.866 13.676 698 HD2 PRO 88 2HD PRO 88 13.197 17.707 11.308 699 HD3 PRO 88 3HD PRO 88 13.041 15.988 11.723 700 H ALA 89 H ALA 89 10.949 19.146 11.065 701 HA ALA 89 HA ALA 89 10.101 21.212 10.625 702 HB1 ALA 89 1HB ALA 89 9.608 19.827 8.439 703 HB2 ALA 89 2HB ALA 89 7.933 20.076 8.934 704 HB3 ALA 89 3HB ALA 89 8.983 21.463 8.647 705 H GLN 90 H GLN 90 9.109 19.812 12.921 706 HA GLN 90 HA GLN 90 6.274 20.333 13.089 707 HB2 GLN 90 2HB GLN 90 8.338 19.297 15.012 708 HB3 GLN 90 3HB GLN 90 6.726 19.735 15.563 709 HG2 GLN 90 2HG GLN 90 5.884 18.161 13.724 710 HG3 GLN 90 3HG GLN 90 7.538 17.552 13.684 711 HE21 GLN 90 1HE2 GLN 90 4.534 17.393 15.208 712 HE22 GLN 90 2HE2 GLN 90 4.979 16.374 16.531 713 H GLY 91 H GLY 91 9.248 21.927 13.951 714 HA2 GLY 91 2HA GLY 91 9.194 24.349 14.149 715 HA3 GLY 91 3HA GLY 91 7.654 24.188 14.980 Start of MODEL 15 1 H1 MET 1 H MET 1 0.942 6.211 4.355 2 HA MET 1 HA MET 1 1.115 8.362 2.348 3 HB2 MET 1 2HB MET 1 3.226 6.544 3.486 4 HB3 MET 1 3HB MET 1 3.458 7.379 1.956 5 HG2 MET 1 2HG MET 1 4.388 8.938 3.277 6 HG3 MET 1 3HG MET 1 2.713 9.450 3.477 7 HE1 MET 1 3HE MET 1 5.274 6.753 5.234 8 HE2 MET 1 1HE MET 1 5.877 8.384 4.938 9 HE3 MET 1 2HE MET 1 5.560 7.847 6.588 10 H ALA 2 H ALA 2 1.210 7.816 0.177 11 HA ALA 2 HA ALA 2 -0.272 5.660 -0.712 12 HB1 ALA 2 1HB ALA 2 -0.022 7.432 -2.212 13 HB2 ALA 2 2HB ALA 2 1.738 7.407 -2.091 14 HB3 ALA 2 3HB ALA 2 0.894 6.116 -2.946 15 H ARG 3 H ARG 3 3.178 5.939 -1.522 16 HA ARG 3 HA ARG 3 3.599 3.169 -0.688 17 HB2 ARG 3 2HB ARG 3 3.064 3.693 -3.306 18 HB3 ARG 3 3HB ARG 3 4.817 3.838 -3.287 19 HG2 ARG 3 2HG ARG 3 5.136 1.630 -2.898 20 HG3 ARG 3 3HG ARG 3 3.654 1.468 -1.954 21 HD2 ARG 3 2HD ARG 3 2.322 1.529 -3.975 22 HD3 ARG 3 3HD ARG 3 3.765 1.810 -4.948 23 HE ARG 3 HE ARG 3 4.203 -0.432 -4.871 24 HH11 ARG 3 1HH1 ARG 3 1.917 0.361 -2.368 25 HH12 ARG 3 2HH1 ARG 3 1.623 -1.290 -1.932 26 HH21 ARG 3 1HH2 ARG 3 3.824 -2.609 -4.307 27 HH22 ARG 3 2HH2 ARG 3 2.709 -2.979 -3.035 28 H MET 4 H MET 4 6.122 2.746 -1.550 29 HA MET 4 HA MET 4 7.724 5.052 -0.723 30 HB2 MET 4 2HB MET 4 8.203 2.321 0.460 31 HB3 MET 4 3HB MET 4 8.935 3.849 0.933 32 HG2 MET 4 2HG MET 4 6.375 4.451 1.384 33 HG3 MET 4 3HG MET 4 6.302 2.707 1.624 34 HE1 MET 4 3HE MET 4 6.519 5.866 3.064 35 HE2 MET 4 1HE MET 4 7.424 5.765 4.575 36 HE3 MET 4 2HE MET 4 8.273 6.050 3.056 37 H ILE 5 H ILE 5 8.733 5.315 -2.651 38 HA ILE 5 HA ILE 5 10.457 3.108 -3.536 39 HB ILE 5 HB ILE 5 10.008 3.539 -5.856 40 HG12 ILE 5 2HG1 ILE 5 7.731 5.236 -5.782 41 HG13 ILE 5 3HG1 ILE 5 9.002 6.025 -4.854 42 HG21 ILE 5 1HG2 ILE 5 7.509 3.206 -4.210 43 HG22 ILE 5 2HG2 ILE 5 7.570 2.959 -5.954 44 HG23 ILE 5 3HG2 ILE 5 8.535 1.941 -4.886 45 HD11 ILE 5 3HD1 ILE 5 10.236 5.072 -7.174 46 HD12 ILE 5 1HD1 ILE 5 8.704 5.777 -7.690 47 HD13 ILE 5 2HD1 ILE 5 9.852 6.743 -6.762 48 H HIS 6 H HIS 6 12.126 3.946 -5.161 49 HA HIS 6 HA HIS 6 13.265 6.404 -4.053 50 HB2 HIS 6 2HB HIS 6 15.337 5.619 -5.304 51 HB3 HIS 6 3HB HIS 6 14.809 4.607 -3.963 52 HD1 HIS 6 HD1 HIS 6 13.741 2.300 -4.575 53 HD2 HIS 6 HD2 HIS 6 15.270 4.420 -7.804 54 HE1 HIS 6 HE1 HIS 6 13.870 0.646 -6.465 55 H CYS 7 H CYS 7 12.366 8.095 -5.119 56 HA CYS 7 HA CYS 7 11.540 8.229 -7.746 57 HB2 CYS 7 2HB CYS 7 11.345 9.952 -5.790 58 HB3 CYS 7 3HB CYS 7 12.832 10.611 -6.461 59 HG CYS 7 HG CYS 7 10.402 10.123 -8.717 60 H ALA 8 H ALA 8 12.675 7.726 -9.498 61 HA ALA 8 HA ALA 8 15.537 8.016 -9.600 62 HB1 ALA 8 1HB ALA 8 15.466 6.622 -11.370 63 HB2 ALA 8 2HB ALA 8 13.837 6.291 -10.777 64 HB3 ALA 8 3HB ALA 8 14.080 7.439 -12.094 65 H LYS 9 H LYS 9 13.086 10.176 -9.953 66 HA LYS 9 HA LYS 9 14.218 11.651 -12.190 67 HB2 LYS 9 2HB LYS 9 11.739 11.451 -11.815 68 HB3 LYS 9 3HB LYS 9 11.934 12.448 -10.379 69 HG2 LYS 9 2HG LYS 9 13.049 13.539 -12.883 70 HG3 LYS 9 3HG LYS 9 11.290 13.427 -12.785 71 HD2 LYS 9 2HD LYS 9 11.477 14.595 -10.545 72 HD3 LYS 9 3HD LYS 9 13.163 14.915 -10.956 73 HE2 LYS 9 2HE LYS 9 10.744 15.790 -12.531 74 HE3 LYS 9 3HE LYS 9 11.754 16.820 -11.519 75 HZ1 LYS 9 3HZ LYS 9 12.928 17.202 -13.350 76 HZ2 LYS 9 1HZ LYS 9 12.169 15.958 -14.209 77 HZ3 LYS 9 2HZ LYS 9 13.508 15.617 -13.233 78 H LEU 10 H LEU 10 13.972 11.867 -8.689 79 HA LEU 10 HA LEU 10 15.546 14.344 -8.727 80 HB2 LEU 10 2HB LEU 10 14.402 13.150 -6.243 81 HB3 LEU 10 3HB LEU 10 14.736 14.838 -6.620 82 HG LEU 10 HG LEU 10 12.528 13.301 -7.965 83 HD11 LEU 10 1HD1 LEU 10 11.991 15.151 -5.696 84 HD12 LEU 10 2HD1 LEU 10 12.468 13.490 -5.347 85 HD13 LEU 10 3HD1 LEU 10 11.028 13.809 -6.313 86 HD21 LEU 10 3HD2 LEU 10 13.425 15.458 -8.927 87 HD22 LEU 10 1HD2 LEU 10 12.813 16.257 -7.479 88 HD23 LEU 10 2HD2 LEU 10 11.698 15.432 -8.569 89 H GLY 11 H GLY 11 15.434 11.165 -7.127 90 HA2 GLY 11 2HA GLY 11 17.549 9.893 -7.124 91 HA3 GLY 11 3HA GLY 11 18.352 11.403 -6.720 92 H LYS 12 H LYS 12 15.351 11.010 -5.186 93 HA LYS 12 HA LYS 12 16.660 9.987 -2.753 94 HB2 LYS 12 2HB LYS 12 14.692 11.570 -1.745 95 HB3 LYS 12 3HB LYS 12 16.366 12.073 -1.944 96 HG2 LYS 12 2HG LYS 12 14.471 12.444 -4.211 97 HG3 LYS 12 3HG LYS 12 14.401 13.550 -2.836 98 HD2 LYS 12 2HD LYS 12 17.129 13.154 -3.630 99 HD3 LYS 12 3HD LYS 12 16.163 13.628 -5.029 100 HE2 LYS 12 2HE LYS 12 16.968 15.626 -4.024 101 HE3 LYS 12 3HE LYS 12 15.252 15.508 -3.640 102 HZ1 LYS 12 3HZ LYS 12 17.329 14.531 -1.777 103 HZ2 LYS 12 1HZ LYS 12 15.713 14.909 -1.447 104 HZ3 LYS 12 2HZ LYS 12 16.821 16.145 -1.771 105 H GLU 13 H GLU 13 14.581 9.760 -1.069 106 HA GLU 13 HA GLU 13 13.022 7.634 -2.308 107 HB2 GLU 13 2HB GLU 13 13.798 8.366 0.458 108 HB3 GLU 13 3HB GLU 13 12.243 7.569 0.268 109 HG2 GLU 13 2HG GLU 13 14.631 6.395 -1.061 110 HG3 GLU 13 3HG GLU 13 14.429 6.192 0.678 111 H ALA 14 H ALA 14 11.123 8.109 -3.174 112 HA ALA 14 HA ALA 14 9.412 10.086 -1.817 113 HB1 ALA 14 1HB ALA 14 8.902 11.190 -3.746 114 HB2 ALA 14 2HB ALA 14 10.554 10.698 -4.121 115 HB3 ALA 14 3HB ALA 14 9.193 9.779 -4.764 116 H GLU 15 H GLU 15 7.072 9.862 -2.532 117 HA GLU 15 HA GLU 15 6.178 7.255 -1.946 118 HB2 GLU 15 2HB GLU 15 4.727 9.659 -3.057 119 HB3 GLU 15 3HB GLU 15 3.919 8.166 -2.601 120 HG2 GLU 15 2HG GLU 15 5.169 8.575 -0.324 121 HG3 GLU 15 3HG GLU 15 5.173 10.244 -0.892 122 H GLY 16 H GLY 16 4.884 5.837 -3.272 123 HA2 GLY 16 2HA GLY 16 5.775 5.884 -6.083 124 HA3 GLY 16 3HA GLY 16 5.364 4.432 -5.182 125 H LEU 17 H LEU 17 4.354 5.609 -7.758 126 HA LEU 17 HA LEU 17 1.806 6.639 -7.578 127 HB2 LEU 17 2HB LEU 17 2.804 4.614 -9.576 128 HB3 LEU 17 3HB LEU 17 1.387 5.643 -9.774 129 HG LEU 17 HG LEU 17 4.248 6.590 -9.610 130 HD11 LEU 17 1HD1 LEU 17 4.248 6.830 -11.897 131 HD12 LEU 17 2HD1 LEU 17 2.488 6.851 -12.005 132 HD13 LEU 17 3HD1 LEU 17 3.334 5.334 -11.705 133 HD21 LEU 17 3HD2 LEU 17 2.796 8.646 -10.619 134 HD22 LEU 17 1HD2 LEU 17 3.253 8.483 -8.923 135 HD23 LEU 17 2HD2 LEU 17 1.656 7.961 -9.461 136 H ASP 18 H ASP 18 2.892 3.371 -7.025 137 HA ASP 18 HA ASP 18 1.856 1.543 -6.151 138 HB2 ASP 18 2HB ASP 18 0.973 3.328 -4.558 139 HB3 ASP 18 3HB ASP 18 -0.502 3.316 -5.520 140 H PHE 19 H PHE 19 1.570 2.152 -8.929 141 HA PHE 19 HA PHE 19 -0.321 0.242 -9.689 142 HB2 PHE 19 2HB PHE 19 -2.061 1.776 -9.114 143 HB3 PHE 19 3HB PHE 19 -1.245 3.105 -9.932 144 HD1 PHE 19 HD1 PHE 19 -3.219 0.050 -10.386 145 HD2 PHE 19 HD2 PHE 19 -1.394 3.380 -12.309 146 HE1 PHE 19 HE1 PHE 19 -4.493 -0.438 -12.434 147 HE2 PHE 19 HE2 PHE 19 -2.665 2.898 -14.359 148 HZ PHE 19 HZ PHE 19 -4.218 0.988 -14.423 149 HA PRO 20 HA PRO 20 2.525 0.704 -13.078 150 HB2 PRO 20 2HB PRO 20 1.631 -1.433 -14.493 151 HB3 PRO 20 3HB PRO 20 2.664 -1.589 -13.067 152 HG2 PRO 20 2HG PRO 20 -0.305 -1.901 -13.299 153 HG3 PRO 20 3HG PRO 20 0.858 -2.897 -12.405 154 HD2 PRO 20 2HD PRO 20 -0.683 -1.024 -11.202 155 HD3 PRO 20 3HD PRO 20 0.951 -1.423 -10.635 156 HA PRO 21 HA PRO 21 -0.012 3.017 -15.894 157 HB2 PRO 21 2HB PRO 21 1.910 3.503 -17.748 158 HB3 PRO 21 3HB PRO 21 1.830 4.355 -16.201 159 HG2 PRO 21 2HG PRO 21 3.545 2.034 -17.000 160 HG3 PRO 21 3HG PRO 21 3.981 3.481 -16.073 161 HD2 PRO 21 2HD PRO 21 3.468 1.097 -14.896 162 HD3 PRO 21 3HD PRO 21 3.097 2.648 -14.114 163 H LEU 22 H LEU 22 1.695 0.101 -16.668 164 HA LEU 22 HA LEU 22 -0.316 -0.601 -18.621 165 HB2 LEU 22 2HB LEU 22 1.525 -1.267 -20.272 166 HB3 LEU 22 3HB LEU 22 1.059 0.430 -20.179 167 HG LEU 22 HG LEU 22 3.086 0.627 -18.561 168 HD11 LEU 22 1HD1 LEU 22 3.666 -1.949 -20.004 169 HD12 LEU 22 2HD1 LEU 22 3.623 -1.668 -18.264 170 HD13 LEU 22 3HD1 LEU 22 4.907 -0.956 -19.241 171 HD21 LEU 22 3HD2 LEU 22 4.597 0.696 -20.700 172 HD22 LEU 22 1HD2 LEU 22 3.280 1.852 -20.492 173 HD23 LEU 22 2HD2 LEU 22 3.064 0.447 -21.537 174 HA PRO 23 HA PRO 23 0.413 -4.654 -17.103 175 HB2 PRO 23 2HB PRO 23 -0.142 -6.172 -19.284 176 HB3 PRO 23 3HB PRO 23 -1.390 -5.331 -18.356 177 HG2 PRO 23 2HG PRO 23 -0.074 -4.529 -20.922 178 HG3 PRO 23 3HG PRO 23 -1.786 -4.441 -20.467 179 HD2 PRO 23 2HD PRO 23 -0.148 -2.286 -20.401 180 HD3 PRO 23 3HD PRO 23 -1.496 -2.496 -19.265 181 H GLY 24 H GLY 24 2.366 -3.309 -19.517 182 HA2 GLY 24 2HA GLY 24 3.980 -5.518 -20.225 183 HA3 GLY 24 3HA GLY 24 4.445 -3.827 -20.344 184 H GLU 25 H GLU 25 6.496 -5.223 -19.754 185 HA GLU 25 HA GLU 25 6.758 -5.743 -16.920 186 HB2 GLU 25 2HB GLU 25 9.045 -6.426 -17.470 187 HB3 GLU 25 3HB GLU 25 7.876 -7.208 -18.525 188 HG2 GLU 25 2HG GLU 25 9.065 -4.677 -19.483 189 HG3 GLU 25 3HG GLU 25 10.116 -6.090 -19.421 190 H LEU 26 H LEU 26 7.179 -3.098 -19.014 191 HA LEU 26 HA LEU 26 9.197 -1.770 -17.426 192 HB2 LEU 26 2HB LEU 26 9.328 -1.261 -19.700 193 HB3 LEU 26 3HB LEU 26 7.586 -1.034 -19.842 194 HG LEU 26 HG LEU 26 7.827 1.052 -18.486 195 HD11 LEU 26 1HD1 LEU 26 10.708 0.278 -18.691 196 HD12 LEU 26 2HD1 LEU 26 9.800 0.851 -17.293 197 HD13 LEU 26 3HD1 LEU 26 10.240 1.975 -18.579 198 HD21 LEU 26 3HD2 LEU 26 9.599 1.315 -20.868 199 HD22 LEU 26 1HD2 LEU 26 8.262 2.336 -20.336 200 HD23 LEU 26 2HD2 LEU 26 7.933 0.777 -21.093 201 H GLY 27 H GLY 27 5.733 -1.883 -17.630 202 HA2 GLY 27 2HA GLY 27 5.120 0.568 -16.378 203 HA3 GLY 27 3HA GLY 27 4.081 -0.849 -16.418 204 H LYS 28 H LYS 28 5.486 -2.694 -15.003 205 HA LYS 28 HA LYS 28 4.892 -2.095 -12.363 206 HB2 LYS 28 2HB LYS 28 6.307 -4.065 -11.789 207 HB3 LYS 28 3HB LYS 28 5.147 -4.380 -13.073 208 HG2 LYS 28 2HG LYS 28 6.869 -4.225 -14.741 209 HG3 LYS 28 3HG LYS 28 8.051 -3.729 -13.528 210 HD2 LYS 28 2HD LYS 28 7.137 -6.058 -12.462 211 HD3 LYS 28 3HD LYS 28 7.024 -6.402 -14.190 212 HE2 LYS 28 2HE LYS 28 9.504 -5.238 -12.956 213 HE3 LYS 28 3HE LYS 28 9.216 -6.977 -13.004 214 HZ1 LYS 28 3HZ LYS 28 9.883 -5.147 -15.162 215 HZ2 LYS 28 1HZ LYS 28 8.751 -6.347 -15.537 216 HZ3 LYS 28 2HZ LYS 28 10.282 -6.779 -14.963 217 H ARG 29 H ARG 29 7.805 -1.491 -14.190 218 HA ARG 29 HA ARG 29 9.273 -0.679 -11.809 219 HB2 ARG 29 2HB ARG 29 10.188 -0.514 -14.681 220 HB3 ARG 29 3HB ARG 29 11.186 -0.475 -13.233 221 HG2 ARG 29 2HG ARG 29 10.172 -2.845 -12.819 222 HG3 ARG 29 3HG ARG 29 9.851 -2.787 -14.554 223 HD2 ARG 29 2HD ARG 29 12.162 -2.503 -15.052 224 HD3 ARG 29 3HD ARG 29 12.556 -2.239 -13.354 225 HE ARG 29 HE ARG 29 12.278 -4.750 -14.679 226 HH11 ARG 29 1HH1 ARG 29 11.881 -3.129 -11.624 227 HH12 ARG 29 2HH1 ARG 29 12.086 -4.570 -10.684 228 HH21 ARG 29 1HH2 ARG 29 12.549 -6.654 -13.453 229 HH22 ARG 29 2HH2 ARG 29 12.467 -6.574 -11.725 230 H LEU 30 H LEU 30 7.316 0.695 -14.245 231 HA LEU 30 HA LEU 30 8.448 3.324 -14.207 232 HB2 LEU 30 2HB LEU 30 6.056 2.027 -15.380 233 HB3 LEU 30 3HB LEU 30 5.990 3.773 -15.143 234 HG LEU 30 HG LEU 30 8.052 2.296 -16.780 235 HD11 LEU 30 1HD1 LEU 30 5.817 4.089 -17.707 236 HD12 LEU 30 2HD1 LEU 30 5.748 2.327 -17.729 237 HD13 LEU 30 3HD1 LEU 30 6.947 3.175 -18.706 238 HD21 LEU 30 3HD2 LEU 30 8.627 4.605 -17.545 239 HD22 LEU 30 1HD2 LEU 30 9.035 4.270 -15.862 240 HD23 LEU 30 2HD2 LEU 30 7.606 5.229 -16.249 241 H TYR 31 H TYR 31 5.721 1.737 -12.611 242 HA TYR 31 HA TYR 31 4.860 4.121 -11.269 243 HB2 TYR 31 2HB TYR 31 3.108 2.866 -10.472 244 HB3 TYR 31 3HB TYR 31 3.545 1.904 -11.879 245 HD1 TYR 31 HD1 TYR 31 3.728 2.108 -8.206 246 HD2 TYR 31 HD2 TYR 31 4.469 -0.294 -11.639 247 HE1 TYR 31 HE1 TYR 31 4.048 0.147 -6.757 248 HE2 TYR 31 HE2 TYR 31 4.790 -2.263 -10.199 249 HH TYR 31 HH TYR 31 5.554 -2.478 -7.522 250 H GLU 32 H GLU 32 7.268 1.766 -10.720 251 HA GLU 32 HA GLU 32 7.442 2.419 -7.867 252 HB2 GLU 32 2HB GLU 32 8.563 0.441 -7.539 253 HB3 GLU 32 3HB GLU 32 7.564 0.007 -8.919 254 HG2 GLU 32 2HG GLU 32 9.538 0.650 -10.370 255 HG3 GLU 32 3HG GLU 32 10.485 0.691 -8.884 256 H SER 33 H SER 33 8.518 3.676 -10.657 257 HA SER 33 HA SER 33 11.066 4.545 -9.456 258 HB2 SER 33 2HB SER 33 11.325 3.039 -11.464 259 HB3 SER 33 3HB SER 33 10.538 4.292 -12.424 260 HG SER 33 HG SER 33 13.059 4.135 -11.952 261 H VAL 34 H VAL 34 8.348 5.409 -11.541 262 HA VAL 34 HA VAL 34 9.022 8.095 -11.982 263 HB VAL 34 HB VAL 34 6.360 6.687 -11.935 264 HG11 VAL 34 1HG1 VAL 34 5.649 8.826 -11.436 265 HG12 VAL 34 2HG1 VAL 34 6.980 9.586 -12.311 266 HG13 VAL 34 3HG1 VAL 34 5.645 8.848 -13.199 267 HG21 VAL 34 3HG2 VAL 34 7.668 7.935 -14.316 268 HG22 VAL 34 1HG2 VAL 34 8.208 6.358 -13.738 269 HG23 VAL 34 2HG2 VAL 34 6.533 6.588 -14.238 270 H SER 35 H SER 35 7.305 6.520 -9.341 271 HA SER 35 HA SER 35 6.724 7.231 -7.259 272 HB2 SER 35 2HB SER 35 8.414 8.311 -6.257 273 HB3 SER 35 3HB SER 35 9.132 8.561 -7.849 274 HG SER 35 HG SER 35 7.909 10.505 -7.988 275 H LYS 36 H LYS 36 5.850 9.320 -6.066 276 HA LYS 36 HA LYS 36 3.640 10.236 -7.675 277 HB2 LYS 36 2HB LYS 36 3.744 9.599 -5.110 278 HB3 LYS 36 3HB LYS 36 4.169 11.297 -4.934 279 HG2 LYS 36 2HG LYS 36 1.836 11.153 -4.632 280 HG3 LYS 36 3HG LYS 36 2.088 11.840 -6.239 281 HD2 LYS 36 2HD LYS 36 1.376 9.931 -7.313 282 HD3 LYS 36 3HD LYS 36 1.789 8.885 -5.953 283 HE2 LYS 36 2HE LYS 36 -0.472 10.880 -5.955 284 HE3 LYS 36 3HE LYS 36 -0.658 9.163 -6.307 285 HZ1 LYS 36 3HZ LYS 36 0.119 10.432 -3.750 286 HZ2 LYS 36 1HZ LYS 36 0.400 8.791 -4.052 287 HZ3 LYS 36 2HZ LYS 36 -1.181 9.393 -4.055 288 H GLN 37 H GLN 37 6.724 11.426 -6.760 289 HA GLN 37 HA GLN 37 6.111 14.214 -7.052 290 HB2 GLN 37 2HB GLN 37 7.979 13.351 -5.643 291 HB3 GLN 37 3HB GLN 37 8.811 12.856 -7.112 292 HG2 GLN 37 2HG GLN 37 9.498 15.062 -6.046 293 HG3 GLN 37 3HG GLN 37 9.191 15.052 -7.782 294 HE21 GLN 37 1HE2 GLN 37 8.360 16.392 -4.777 295 HE22 GLN 37 2HE2 GLN 37 7.069 17.406 -5.316 296 H ALA 38 H ALA 38 8.260 12.086 -8.949 297 HA ALA 38 HA ALA 38 8.448 13.811 -11.157 298 HB1 ALA 38 1HB ALA 38 9.808 12.248 -12.051 299 HB2 ALA 38 2HB ALA 38 9.747 11.577 -10.421 300 HB3 ALA 38 3HB ALA 38 8.706 10.921 -11.684 301 H TRP 39 H TRP 39 5.903 11.810 -10.122 302 HA TRP 39 HA TRP 39 4.700 10.886 -12.405 303 HB2 TRP 39 2HB TRP 39 3.751 10.366 -10.267 304 HB3 TRP 39 3HB TRP 39 3.446 12.066 -9.924 305 HD1 TRP 39 HD1 TRP 39 0.977 12.652 -10.149 306 HE1 TRP 39 HE1 TRP 39 -0.995 11.853 -11.596 307 HE3 TRP 39 HE3 TRP 39 3.401 9.128 -12.950 308 HZ2 TRP 39 HZ2 TRP 39 -1.462 9.976 -13.653 309 HZ3 TRP 39 HZ3 TRP 39 2.119 7.875 -14.635 310 HH2 TRP 39 HH2 TRP 39 -0.262 8.291 -14.977 311 H GLN 40 H GLN 40 4.837 14.176 -11.212 312 HA GLN 40 HA GLN 40 2.929 15.179 -13.120 313 HB2 GLN 40 2HB GLN 40 4.904 16.760 -11.473 314 HB3 GLN 40 3HB GLN 40 3.429 17.353 -12.224 315 HG2 GLN 40 2HG GLN 40 2.753 15.188 -10.514 316 HG3 GLN 40 3HG GLN 40 3.787 16.305 -9.625 317 HE21 GLN 40 1HE2 GLN 40 0.849 16.066 -11.541 318 HE22 GLN 40 2HE2 GLN 40 0.060 17.434 -10.840 319 H ASP 41 H ASP 41 6.441 15.080 -12.808 320 HA ASP 41 HA ASP 41 7.033 16.723 -15.026 321 HB2 ASP 41 2HB ASP 41 8.715 16.240 -13.341 322 HB3 ASP 41 3HB ASP 41 8.655 14.523 -13.731 323 H TRP 42 H TRP 42 6.674 13.213 -14.695 324 HA TRP 42 HA TRP 42 7.439 12.423 -17.234 325 HB2 TRP 42 2HB TRP 42 6.892 10.881 -15.363 326 HB3 TRP 42 3HB TRP 42 5.184 11.242 -15.598 327 HD1 TRP 42 HD1 TRP 42 7.972 10.191 -18.104 328 HE1 TRP 42 HE1 TRP 42 7.068 8.227 -19.501 329 HE3 TRP 42 HE3 TRP 42 3.376 9.690 -15.921 330 HZ2 TRP 42 HZ2 TRP 42 4.717 6.672 -19.657 331 HZ3 TRP 42 HZ3 TRP 42 1.860 7.940 -16.753 332 HH2 TRP 42 HH2 TRP 42 2.518 6.463 -18.583 333 H LEU 43 H LEU 43 4.528 14.017 -16.198 334 HA LEU 43 HA LEU 43 3.083 13.486 -18.636 335 HB2 LEU 43 2HB LEU 43 2.477 15.515 -16.493 336 HB3 LEU 43 3HB LEU 43 1.369 14.906 -17.722 337 HG LEU 43 HG LEU 43 2.570 13.046 -15.704 338 HD11 LEU 43 1HD1 LEU 43 1.279 15.224 -14.818 339 HD12 LEU 43 2HD1 LEU 43 1.180 13.648 -14.033 340 HD13 LEU 43 3HD1 LEU 43 -0.097 14.167 -15.133 341 HD21 LEU 43 3HD2 LEU 43 -0.203 12.754 -16.589 342 HD22 LEU 43 1HD2 LEU 43 1.094 11.563 -16.502 343 HD23 LEU 43 2HD2 LEU 43 0.984 12.646 -17.889 344 H LYS 44 H LYS 44 5.075 16.047 -17.324 345 HA LYS 44 HA LYS 44 4.403 18.078 -19.153 346 HB2 LYS 44 2HB LYS 44 6.926 17.563 -17.576 347 HB3 LYS 44 3HB LYS 44 6.668 19.012 -18.540 348 HG2 LYS 44 2HG LYS 44 4.697 18.220 -16.436 349 HG3 LYS 44 3HG LYS 44 6.180 19.077 -16.009 350 HD2 LYS 44 2HD LYS 44 4.346 20.084 -18.164 351 HD3 LYS 44 3HD LYS 44 4.071 20.469 -16.463 352 HE2 LYS 44 2HE LYS 44 6.313 21.443 -16.327 353 HE3 LYS 44 3HE LYS 44 6.587 21.054 -18.024 354 HZ1 LYS 44 3HZ LYS 44 4.394 22.816 -17.085 355 HZ2 LYS 44 1HZ LYS 44 4.907 22.573 -18.679 356 HZ3 LYS 44 2HZ LYS 44 5.904 23.391 -17.585 357 H GLN 45 H GLN 45 6.716 15.432 -19.301 358 HA GLN 45 HA GLN 45 7.853 16.341 -21.794 359 HB2 GLN 45 2HB GLN 45 9.284 14.450 -21.664 360 HB3 GLN 45 3HB GLN 45 9.124 15.065 -20.024 361 HG2 GLN 45 2HG GLN 45 7.544 13.324 -19.482 362 HG3 GLN 45 3HG GLN 45 7.572 12.744 -21.146 363 HE21 GLN 45 1HE2 GLN 45 9.091 11.324 -21.744 364 HE22 GLN 45 2HE2 GLN 45 10.377 10.769 -20.733 365 H GLN 46 H GLN 46 5.452 14.024 -20.727 366 HA GLN 46 HA GLN 46 5.172 12.451 -22.983 367 HB2 GLN 46 2HB GLN 46 3.618 13.050 -20.636 368 HB3 GLN 46 3HB GLN 46 2.561 12.932 -22.037 369 HG2 GLN 46 2HG GLN 46 3.320 10.720 -22.512 370 HG3 GLN 46 3HG GLN 46 4.582 10.836 -21.286 371 HE21 GLN 46 1HE2 GLN 46 1.169 11.758 -21.178 372 HE22 GLN 46 2HE2 GLN 46 0.750 10.726 -19.858 373 H THR 47 H THR 47 3.880 15.666 -22.336 374 HA THR 47 HA THR 47 2.512 15.732 -24.903 375 HB THR 47 HB THR 47 2.721 17.827 -22.733 376 HG1 THR 47 HG1 THR 47 0.757 17.102 -22.107 377 HG21 THR 47 3HG2 THR 47 0.711 18.769 -24.044 378 HG22 THR 47 1HG2 THR 47 1.315 17.798 -25.386 379 HG23 THR 47 2HG2 THR 47 2.329 19.058 -24.682 380 H MET 48 H MET 48 5.242 17.288 -23.279 381 HA MET 48 HA MET 48 5.887 19.177 -25.221 382 HB2 MET 48 2HB MET 48 7.338 17.815 -23.026 383 HB3 MET 48 3HB MET 48 8.333 18.560 -24.270 384 HG2 MET 48 2HG MET 48 7.368 20.701 -23.862 385 HG3 MET 48 3HG MET 48 6.157 20.008 -22.786 386 HE1 MET 48 3HE MET 48 10.275 21.374 -22.246 387 HE2 MET 48 1HE MET 48 8.938 21.843 -23.297 388 HE3 MET 48 2HE MET 48 9.008 22.440 -21.638 389 H LEU 49 H LEU 49 7.023 15.826 -24.877 390 HA LEU 49 HA LEU 49 8.747 15.803 -27.081 391 HB2 LEU 49 2HB LEU 49 7.324 13.744 -25.485 392 HB3 LEU 49 3HB LEU 49 8.008 13.252 -27.033 393 HG LEU 49 HG LEU 49 9.466 12.793 -25.068 394 HD11 LEU 49 1HD1 LEU 49 10.545 12.869 -27.156 395 HD12 LEU 49 2HD1 LEU 49 11.512 13.890 -26.092 396 HD13 LEU 49 3HD1 LEU 49 10.408 14.625 -27.255 397 HD21 LEU 49 3HD2 LEU 49 9.003 14.664 -23.664 398 HD22 LEU 49 1HD2 LEU 49 9.505 15.802 -24.915 399 HD23 LEU 49 2HD2 LEU 49 10.700 14.763 -24.136 400 H ILE 50 H ILE 50 5.309 14.962 -26.835 401 HA ILE 50 HA ILE 50 4.996 14.171 -29.530 402 HB ILE 50 HB ILE 50 2.933 15.227 -27.593 403 HG12 ILE 50 2HG1 ILE 50 3.543 12.373 -28.382 404 HG13 ILE 50 3HG1 ILE 50 4.174 13.142 -26.929 405 HG21 ILE 50 1HG2 ILE 50 2.720 14.072 -30.341 406 HG22 ILE 50 2HG2 ILE 50 1.422 13.822 -29.174 407 HG23 ILE 50 3HG2 ILE 50 1.886 15.459 -29.640 408 HD11 ILE 50 3HD1 ILE 50 2.371 12.195 -25.991 409 HD12 ILE 50 1HD1 ILE 50 1.553 13.628 -26.613 410 HD13 ILE 50 2HD1 ILE 50 1.485 12.113 -27.514 411 H ASN 51 H ASN 51 4.612 17.269 -27.879 412 HA ASN 51 HA ASN 51 3.537 18.655 -30.115 413 HB2 ASN 51 2HB ASN 51 4.767 19.503 -27.509 414 HB3 ASN 51 3HB ASN 51 4.392 20.698 -28.746 415 HD21 ASN 51 1HD2 ASN 51 2.667 17.762 -27.798 416 HD22 ASN 51 2HD2 ASN 51 1.196 18.557 -27.361 417 H GLU 52 H GLU 52 6.800 18.184 -28.861 418 HA GLU 52 HA GLU 52 8.033 19.968 -30.726 419 HB2 GLU 52 2HB GLU 52 8.909 19.132 -28.426 420 HB3 GLU 52 3HB GLU 52 9.481 17.739 -29.332 421 HG2 GLU 52 2HG GLU 52 10.894 19.099 -30.682 422 HG3 GLU 52 3HG GLU 52 10.192 20.576 -30.024 423 H ASN 53 H ASN 53 8.250 16.420 -30.392 424 HA ASN 53 HA ASN 53 9.392 16.037 -32.951 425 HB2 ASN 53 2HB ASN 53 7.966 14.111 -31.105 426 HB3 ASN 53 3HB ASN 53 8.816 13.627 -32.570 427 HD21 ASN 53 1HD2 ASN 53 9.109 14.654 -29.300 428 HD22 ASN 53 2HD2 ASN 53 10.818 14.447 -29.161 429 H ARG 54 H ARG 54 6.223 16.718 -31.979 430 HA ARG 54 HA ARG 54 4.217 16.777 -33.050 431 HB2 ARG 54 2HB ARG 54 6.169 16.914 -35.325 432 HB3 ARG 54 3HB ARG 54 4.441 16.848 -35.644 433 HG2 ARG 54 2HG ARG 54 5.575 18.884 -33.767 434 HG3 ARG 54 3HG ARG 54 5.594 19.141 -35.513 435 HD2 ARG 54 2HD ARG 54 3.189 18.922 -35.610 436 HD3 ARG 54 3HD ARG 54 3.127 18.522 -33.894 437 HE ARG 54 HE ARG 54 4.338 20.968 -33.987 438 HH11 ARG 54 1HH1 ARG 54 1.326 19.660 -35.141 439 HH12 ARG 54 2HH1 ARG 54 0.470 21.159 -35.000 440 HH21 ARG 54 1HH2 ARG 54 3.223 22.948 -33.797 441 HH22 ARG 54 2HH2 ARG 54 1.550 23.030 -34.236 442 H LEU 55 H LEU 55 4.567 14.367 -32.080 443 HA LEU 55 HA LEU 55 4.380 12.341 -34.144 444 HB2 LEU 55 2HB LEU 55 3.949 11.992 -31.187 445 HB3 LEU 55 3HB LEU 55 4.352 10.752 -32.373 446 HG LEU 55 HG LEU 55 6.249 12.997 -31.773 447 HD11 LEU 55 1HD1 LEU 55 7.024 12.060 -29.878 448 HD12 LEU 55 2HD1 LEU 55 6.679 10.417 -30.419 449 HD13 LEU 55 3HD1 LEU 55 5.384 11.422 -29.769 450 HD21 LEU 55 3HD2 LEU 55 6.350 10.340 -33.119 451 HD22 LEU 55 1HD2 LEU 55 7.803 10.960 -32.335 452 HD23 LEU 55 2HD2 LEU 55 7.032 11.888 -33.622 453 H ASN 56 H ASN 56 2.573 10.637 -33.760 454 HA ASN 56 HA ASN 56 0.046 12.085 -33.903 455 HB2 ASN 56 2HB ASN 56 1.004 10.169 -35.512 456 HB3 ASN 56 3HB ASN 56 0.158 9.147 -34.353 457 HD21 ASN 56 1HD2 ASN 56 -2.037 10.548 -33.727 458 HD22 ASN 56 2HD2 ASN 56 -3.021 10.806 -35.124 459 H MET 57 H MET 57 -0.039 12.494 -31.596 460 HA MET 57 HA MET 57 -0.002 10.648 -29.562 461 HB2 MET 57 2HB MET 57 -1.883 12.227 -28.580 462 HB3 MET 57 3HB MET 57 -0.224 12.784 -28.757 463 HG2 MET 57 2HG MET 57 -0.755 14.282 -30.338 464 HG3 MET 57 3HG MET 57 -1.938 13.219 -31.098 465 HE1 MET 57 3HE MET 57 -4.963 14.616 -30.606 466 HE2 MET 57 1HE MET 57 -4.022 13.173 -30.983 467 HE3 MET 57 2HE MET 57 -4.920 13.267 -29.469 468 H ALA 58 H ALA 58 -2.835 11.620 -31.491 469 HA ALA 58 HA ALA 58 -4.759 10.036 -30.316 470 HB1 ALA 58 1HB ALA 58 -4.492 11.518 -32.735 471 HB2 ALA 58 2HB ALA 58 -5.254 9.969 -33.096 472 HB3 ALA 58 3HB ALA 58 -5.961 11.039 -31.886 473 H ASP 59 H ASP 59 -2.192 9.114 -32.493 474 HA ASP 59 HA ASP 59 -3.253 6.387 -32.675 475 HB2 ASP 59 2HB ASP 59 -1.520 8.054 -34.359 476 HB3 ASP 59 3HB ASP 59 -0.949 6.398 -34.168 477 HA PRO 60 HA PRO 60 -0.379 4.658 -29.850 478 HB2 PRO 60 2HB PRO 60 0.282 2.315 -31.051 479 HB3 PRO 60 3HB PRO 60 -1.300 2.606 -30.318 480 HG2 PRO 60 2HG PRO 60 -0.491 2.753 -33.196 481 HG3 PRO 60 3HG PRO 60 -1.951 2.048 -32.479 482 HD2 PRO 60 2HD PRO 60 -1.933 4.495 -33.639 483 HD3 PRO 60 3HD PRO 60 -2.988 4.096 -32.268 484 H ARG 61 H ARG 61 0.600 5.563 -32.969 485 HA ARG 61 HA ARG 61 3.273 4.661 -32.989 486 HB2 ARG 61 2HB ARG 61 2.113 7.121 -34.311 487 HB3 ARG 61 3HB ARG 61 3.634 6.341 -34.727 488 HG2 ARG 61 2HG ARG 61 0.880 5.161 -35.026 489 HG3 ARG 61 3HG ARG 61 1.921 5.751 -36.323 490 HD2 ARG 61 2HD ARG 61 2.350 3.500 -36.426 491 HD3 ARG 61 3HD ARG 61 3.619 4.024 -35.320 492 HE ARG 61 HE ARG 61 1.269 3.277 -33.910 493 HH11 ARG 61 1HH1 ARG 61 4.028 1.975 -35.588 494 HH12 ARG 61 2HH1 ARG 61 4.037 0.492 -34.692 495 HH21 ARG 61 1HH2 ARG 61 1.271 1.329 -32.723 496 HH22 ARG 61 2HH2 ARG 61 2.468 0.125 -33.063 497 H ALA 62 H ALA 62 1.737 7.543 -31.675 498 HA ALA 62 HA ALA 62 4.235 8.780 -30.948 499 HB1 ALA 62 1HB ALA 62 1.360 9.454 -30.385 500 HB2 ALA 62 2HB ALA 62 2.704 10.376 -29.710 501 HB3 ALA 62 3HB ALA 62 2.491 10.280 -31.458 502 H ARG 63 H ARG 63 2.097 6.490 -29.552 503 HA ARG 63 HA ARG 63 2.940 6.983 -26.826 504 HB2 ARG 63 2HB ARG 63 1.453 4.535 -27.715 505 HB3 ARG 63 3HB ARG 63 1.366 5.387 -26.179 506 HG2 ARG 63 2HG ARG 63 0.211 6.252 -28.817 507 HG3 ARG 63 3HG ARG 63 -0.664 5.775 -27.360 508 HD2 ARG 63 2HD ARG 63 0.967 8.256 -27.832 509 HD3 ARG 63 3HD ARG 63 -0.746 8.135 -27.432 510 HE ARG 63 HE ARG 63 1.462 8.101 -25.604 511 HH11 ARG 63 1HH1 ARG 63 -1.823 7.068 -26.116 512 HH12 ARG 63 2HH1 ARG 63 -2.190 6.960 -24.426 513 HH21 ARG 63 1HH2 ARG 63 0.991 7.962 -23.377 514 HH22 ARG 63 2HH2 ARG 63 -0.589 7.469 -22.869 515 H GLN 64 H GLN 64 3.897 5.033 -29.500 516 HA GLN 64 HA GLN 64 5.333 3.091 -27.924 517 HB2 GLN 64 2HB GLN 64 4.294 2.686 -30.218 518 HB3 GLN 64 3HB GLN 64 5.650 3.591 -30.879 519 HG2 GLN 64 2HG GLN 64 7.183 1.961 -29.795 520 HG3 GLN 64 3HG GLN 64 5.769 1.018 -29.326 521 HE21 GLN 64 1HE2 GLN 64 5.679 -0.714 -30.560 522 HE22 GLN 64 2HE2 GLN 64 5.890 -0.754 -32.274 523 H TYR 65 H TYR 65 5.958 6.185 -29.291 524 HA TYR 65 HA TYR 65 8.838 5.882 -29.264 525 HB2 TYR 65 2HB TYR 65 7.944 7.281 -30.991 526 HB3 TYR 65 3HB TYR 65 7.029 8.234 -29.828 527 HD1 TYR 65 HD1 TYR 65 10.477 7.412 -30.931 528 HD2 TYR 65 HD2 TYR 65 7.981 10.130 -28.813 529 HE1 TYR 65 HE1 TYR 65 12.353 8.994 -30.763 530 HE2 TYR 65 HE2 TYR 65 9.850 11.720 -28.639 531 HH TYR 65 HH TYR 65 12.993 10.922 -29.132 532 H LEU 66 H LEU 66 6.363 7.592 -27.394 533 HA LEU 66 HA LEU 66 7.991 9.015 -25.661 534 HB2 LEU 66 2HB LEU 66 5.244 7.895 -25.502 535 HB3 LEU 66 3HB LEU 66 5.985 8.479 -24.014 536 HG LEU 66 HG LEU 66 5.629 10.145 -26.502 537 HD11 LEU 66 1HD1 LEU 66 3.909 11.275 -24.909 538 HD12 LEU 66 2HD1 LEU 66 3.874 9.693 -24.131 539 HD13 LEU 66 3HD1 LEU 66 3.446 9.847 -25.835 540 HD21 LEU 66 3HD2 LEU 66 6.136 12.010 -25.019 541 HD22 LEU 66 1HD2 LEU 66 7.464 10.850 -25.044 542 HD23 LEU 66 2HD2 LEU 66 6.357 10.893 -23.671 543 H MET 67 H MET 67 6.894 5.659 -25.457 544 HA MET 67 HA MET 67 7.846 5.062 -22.902 545 HB2 MET 67 2HB MET 67 7.682 3.228 -25.300 546 HB3 MET 67 3HB MET 67 7.818 2.715 -23.624 547 HG2 MET 67 2HG MET 67 5.561 4.497 -24.329 548 HG3 MET 67 3HG MET 67 5.500 2.831 -24.899 549 HE1 MET 67 3HE MET 67 4.755 5.260 -22.634 550 HE2 MET 67 1HE MET 67 3.551 4.314 -21.758 551 HE3 MET 67 2HE MET 67 5.073 4.744 -20.977 552 H LYS 68 H LYS 68 9.536 5.602 -25.846 553 HA LYS 68 HA LYS 68 11.946 4.236 -25.011 554 HB2 LYS 68 2HB LYS 68 11.499 6.111 -27.342 555 HB3 LYS 68 3HB LYS 68 12.902 5.078 -27.096 556 HG2 LYS 68 2HG LYS 68 10.210 3.818 -27.198 557 HG3 LYS 68 3HG LYS 68 10.949 4.374 -28.702 558 HD2 LYS 68 2HD LYS 68 11.767 2.239 -28.631 559 HD3 LYS 68 3HD LYS 68 13.041 3.077 -27.743 560 HE2 LYS 68 2HE LYS 68 12.361 2.235 -25.710 561 HE3 LYS 68 3HE LYS 68 10.701 1.987 -26.249 562 HZ1 LYS 68 3HZ LYS 68 12.858 0.159 -26.245 563 HZ2 LYS 68 1HZ LYS 68 12.282 0.356 -27.824 564 HZ3 LYS 68 2HZ LYS 68 11.226 -0.122 -26.592 565 H GLN 69 H GLN 69 10.548 7.343 -24.655 566 HA GLN 69 HA GLN 69 13.067 8.691 -24.168 567 HB2 GLN 69 2HB GLN 69 11.131 9.839 -25.248 568 HB3 GLN 69 3HB GLN 69 10.253 9.703 -23.730 569 HG2 GLN 69 2HG GLN 69 11.100 11.875 -23.742 570 HG3 GLN 69 3HG GLN 69 12.182 10.977 -22.679 571 HE21 GLN 69 1HE2 GLN 69 13.707 12.675 -23.068 572 HE22 GLN 69 2HE2 GLN 69 14.661 12.670 -24.508 573 H THR 70 H THR 70 10.593 7.076 -22.371 574 HA THR 70 HA THR 70 11.467 8.190 -19.829 575 HB THR 70 HB THR 70 9.595 5.899 -19.834 576 HG1 THR 70 HG1 THR 70 8.769 6.930 -21.626 577 HG21 THR 70 3HG2 THR 70 9.351 8.640 -18.602 578 HG22 THR 70 1HG2 THR 70 10.221 7.308 -17.843 579 HG23 THR 70 2HG2 THR 70 8.489 7.172 -18.145 580 H GLU 71 H GLU 71 11.336 5.010 -21.421 581 HA GLU 71 HA GLU 71 12.563 3.534 -19.389 582 HB2 GLU 71 2HB GLU 71 11.385 2.617 -21.416 583 HB3 GLU 71 3HB GLU 71 12.820 3.009 -22.351 584 HG2 GLU 71 2HG GLU 71 13.986 1.580 -20.446 585 HG3 GLU 71 3HG GLU 71 12.377 0.865 -20.360 586 H LYS 72 H LYS 72 14.052 4.834 -22.360 587 HA LYS 72 HA LYS 72 16.688 4.183 -21.740 588 HB2 LYS 72 2HB LYS 72 16.212 4.839 -23.964 589 HB3 LYS 72 3HB LYS 72 15.492 6.358 -23.446 590 HG2 LYS 72 2HG LYS 72 17.662 6.733 -24.453 591 HG3 LYS 72 3HG LYS 72 17.690 7.162 -22.741 592 HD2 LYS 72 2HD LYS 72 19.704 5.928 -23.404 593 HD3 LYS 72 3HD LYS 72 18.756 5.039 -22.209 594 HE2 LYS 72 2HE LYS 72 19.573 3.577 -24.001 595 HE3 LYS 72 3HE LYS 72 17.812 3.647 -23.962 596 HZ1 LYS 72 3HZ LYS 72 19.395 4.080 -26.143 597 HZ2 LYS 72 1HZ LYS 72 18.934 5.639 -25.675 598 HZ3 LYS 72 2HZ LYS 72 17.755 4.473 -26.009 599 H TYR 73 H TYR 73 14.649 6.537 -20.357 600 HA TYR 73 HA TYR 73 16.610 8.426 -19.548 601 HB2 TYR 73 2HB TYR 73 13.989 8.595 -19.622 602 HB3 TYR 73 3HB TYR 73 14.099 7.972 -17.980 603 HD1 TYR 73 HD2 TYR 73 16.245 9.272 -16.713 604 HD2 TYR 73 HD1 TYR 73 13.619 10.865 -19.658 605 HE1 TYR 73 HE2 TYR 73 16.695 11.541 -15.878 606 HE2 TYR 73 HE1 TYR 73 14.063 13.139 -18.832 607 HH TYR 73 HH TYR 73 16.584 13.959 -16.973 608 H PHE 74 H PHE 74 14.729 6.250 -17.443 609 HA PHE 74 HA PHE 74 16.954 6.215 -15.557 610 HB2 PHE 74 2HB PHE 74 14.239 4.942 -15.205 611 HB3 PHE 74 3HB PHE 74 15.406 5.353 -13.952 612 HD1 PHE 74 HD2 PHE 74 16.158 8.059 -14.497 613 HD2 PHE 74 HD1 PHE 74 12.348 6.207 -14.909 614 HE1 PHE 74 HE2 PHE 74 15.067 10.244 -14.199 615 HE2 PHE 74 HE1 PHE 74 11.251 8.389 -14.613 616 HZ PHE 74 HZ PHE 74 12.611 10.411 -14.256 617 H PHE 75 H PHE 75 14.841 3.887 -17.226 618 HA PHE 75 HA PHE 75 16.648 1.711 -16.548 619 HB2 PHE 75 2HB PHE 75 14.287 1.347 -18.344 620 HB3 PHE 75 3HB PHE 75 14.946 0.257 -17.129 621 HD1 PHE 75 HD1 PHE 75 14.857 1.333 -14.654 622 HD2 PHE 75 HD2 PHE 75 12.245 2.261 -17.884 623 HE1 PHE 75 HE1 PHE 75 13.148 2.085 -13.051 624 HE2 PHE 75 HE2 PHE 75 10.532 3.015 -16.287 625 HZ PHE 75 HZ PHE 75 10.983 2.929 -13.867 626 H GLY 76 H GLY 76 17.540 3.839 -18.345 627 HA2 GLY 76 2HA GLY 76 17.597 2.638 -20.988 628 HA3 GLY 76 3HA GLY 76 18.341 4.158 -20.514 629 H GLU 77 H GLU 77 20.409 3.951 -21.128 630 HA GLU 77 HA GLU 77 21.912 1.645 -21.309 631 HB2 GLU 77 2HB GLU 77 23.912 3.169 -21.083 632 HB3 GLU 77 3HB GLU 77 22.746 3.628 -22.317 633 HG2 GLU 77 2HG GLU 77 21.820 5.322 -20.858 634 HG3 GLU 77 3HG GLU 77 22.910 4.830 -19.563 635 H GLY 78 H GLY 78 21.328 3.692 -18.510 636 HA2 GLY 78 2HA GLY 78 22.156 1.562 -16.747 637 HA3 GLY 78 3HA GLY 78 23.224 2.958 -16.716 638 H ALA 79 H ALA 79 22.772 4.474 -15.269 639 HA ALA 79 HA ALA 79 21.705 5.593 -13.592 640 HB1 ALA 79 1HB ALA 79 20.570 6.385 -15.767 641 HB2 ALA 79 2HB ALA 79 19.196 5.425 -15.218 642 HB3 ALA 79 3HB ALA 79 19.795 6.754 -14.227 643 H ASP 80 H ASP 80 21.670 2.665 -13.479 644 HA ASP 80 HA ASP 80 20.028 2.314 -11.236 645 HB2 ASP 80 2HB ASP 80 18.437 2.299 -13.407 646 HB3 ASP 80 3HB ASP 80 18.902 0.601 -13.380 647 H GLN 81 H GLN 81 19.585 -0.319 -11.093 648 HA GLN 81 HA GLN 81 22.265 -1.461 -11.490 649 HB2 GLN 81 2HB GLN 81 21.585 -3.063 -9.684 650 HB3 GLN 81 3HB GLN 81 21.693 -1.385 -9.170 651 HG2 GLN 81 2HG GLN 81 19.056 -2.409 -10.067 652 HG3 GLN 81 3HG GLN 81 19.665 -2.921 -8.493 653 HE21 GLN 81 1HE2 GLN 81 20.590 -1.015 -7.186 654 HE22 GLN 81 2HE2 GLN 81 19.597 0.397 -7.132 655 H ALA 82 H ALA 82 21.935 -4.073 -11.329 656 HA ALA 82 HA ALA 82 20.113 -4.719 -13.553 657 HB1 ALA 82 1HB ALA 82 21.862 -6.765 -13.596 658 HB2 ALA 82 2HB ALA 82 22.072 -5.277 -14.520 659 HB3 ALA 82 3HB ALA 82 22.900 -5.481 -12.976 660 H SER 83 H SER 83 18.341 -5.666 -12.771 661 HA SER 83 HA SER 83 18.433 -8.185 -11.514 662 HB2 SER 83 2HB SER 83 19.045 -6.540 -9.608 663 HB3 SER 83 3HB SER 83 17.342 -6.085 -9.654 664 HG SER 83 HG SER 83 16.775 -8.108 -9.043 665 H GLY 84 H GLY 84 16.584 -9.224 -11.950 666 HA2 GLY 84 2HA GLY 84 13.997 -8.291 -11.742 667 HA3 GLY 84 3HA GLY 84 14.508 -7.878 -13.372 668 H TYR 85 H TYR 85 12.460 -9.438 -13.421 669 HA TYR 85 HA TYR 85 12.847 -12.201 -13.094 670 HB2 TYR 85 2HB TYR 85 10.689 -10.723 -13.598 671 HB3 TYR 85 3HB TYR 85 11.032 -11.231 -15.248 672 HD1 TYR 85 HD2 TYR 85 11.170 -12.952 -11.927 673 HD2 TYR 85 HD1 TYR 85 9.628 -12.939 -15.892 674 HE1 TYR 85 HE2 TYR 85 10.050 -15.098 -11.492 675 HE2 TYR 85 HE1 TYR 85 8.503 -15.084 -15.468 676 HH TYR 85 HH TYR 85 8.640 -16.975 -13.995 677 H VAL 86 H VAL 86 12.555 -13.710 -15.105 678 HA VAL 86 HA VAL 86 14.539 -12.911 -17.135 679 HB VAL 86 HB VAL 86 15.507 -14.587 -15.663 680 HG11 VAL 86 1HG1 VAL 86 14.343 -16.265 -14.787 681 HG12 VAL 86 2HG1 VAL 86 12.910 -15.626 -15.594 682 HG13 VAL 86 3HG1 VAL 86 13.894 -16.856 -16.387 683 HG21 VAL 86 3HG2 VAL 86 14.761 -15.632 -18.392 684 HG22 VAL 86 1HG2 VAL 86 16.190 -14.691 -17.960 685 HG23 VAL 86 2HG2 VAL 86 16.006 -16.341 -17.363 686 HA PRO 87 HA PRO 87 11.294 -13.690 -20.038 687 HB2 PRO 87 2HB PRO 87 12.822 -13.665 -22.282 688 HB3 PRO 87 3HB PRO 87 12.380 -12.196 -21.404 689 HG2 PRO 87 2HG PRO 87 14.929 -13.763 -21.312 690 HG3 PRO 87 3HG PRO 87 14.697 -12.006 -21.372 691 HD2 PRO 87 2HD PRO 87 15.261 -13.324 -19.075 692 HD3 PRO 87 3HD PRO 87 14.256 -11.861 -19.114 693 HA PRO 88 HA PRO 88 11.283 -17.963 -21.076 694 HB2 PRO 88 2HB PRO 88 10.088 -17.986 -23.513 695 HB3 PRO 88 3HB PRO 88 9.212 -17.641 -22.017 696 HG2 PRO 88 2HG PRO 88 10.292 -15.740 -24.062 697 HG3 PRO 88 3HG PRO 88 8.729 -15.713 -23.224 698 HD2 PRO 88 2HD PRO 88 10.807 -14.143 -22.483 699 HD3 PRO 88 3HD PRO 88 9.625 -14.775 -21.319 700 H ALA 89 H ALA 89 12.252 -15.980 -23.878 701 HA ALA 89 HA ALA 89 13.874 -16.247 -25.453 702 HB1 ALA 89 1HB ALA 89 15.985 -17.303 -24.711 703 HB2 ALA 89 2HB ALA 89 15.381 -16.092 -23.580 704 HB3 ALA 89 3HB ALA 89 15.177 -17.808 -23.227 705 H GLN 90 H GLN 90 11.665 -18.148 -25.372 706 HA GLN 90 HA GLN 90 12.906 -20.254 -26.979 707 HB2 GLN 90 2HB GLN 90 11.527 -21.984 -25.921 708 HB3 GLN 90 3HB GLN 90 12.612 -21.231 -24.759 709 HG2 GLN 90 2HG GLN 90 10.876 -20.061 -23.721 710 HG3 GLN 90 3HG GLN 90 9.775 -20.323 -25.073 711 HE21 GLN 90 1HE2 GLN 90 8.582 -22.158 -25.161 712 HE22 GLN 90 2HE2 GLN 90 8.574 -23.364 -23.924 713 H GLY 91 H GLY 91 11.692 -20.941 -28.701 714 HA2 GLY 91 2HA GLY 91 8.890 -20.356 -28.928 715 HA3 GLY 91 3HA GLY 91 9.882 -19.280 -29.901 Start of MODEL 16 1 H1 MET 1 H MET 1 -3.767 6.355 -0.352 2 HA MET 1 HA MET 1 -1.072 5.640 -0.440 3 HB2 MET 1 2HB MET 1 -1.885 3.350 0.176 4 HB3 MET 1 3HB MET 1 -2.502 4.641 1.198 5 HG2 MET 1 2HG MET 1 -4.639 4.449 0.392 6 HG3 MET 1 3HG MET 1 -4.113 3.757 -1.141 7 HE1 MET 1 3HE MET 1 -5.555 1.826 -1.434 8 HE2 MET 1 1HE MET 1 -5.985 0.625 -0.215 9 HE3 MET 1 2HE MET 1 -6.575 2.281 -0.067 10 H ALA 2 H ALA 2 -1.022 6.293 -2.878 11 HA ALA 2 HA ALA 2 -1.941 4.548 -4.863 12 HB1 ALA 2 1HB ALA 2 0.130 6.660 -4.703 13 HB2 ALA 2 2HB ALA 2 0.224 5.535 -6.059 14 HB3 ALA 2 3HB ALA 2 -1.237 6.490 -5.805 15 H ARG 3 H ARG 3 1.508 4.878 -4.070 16 HA ARG 3 HA ARG 3 1.811 2.046 -3.629 17 HB2 ARG 3 2HB ARG 3 1.876 2.785 -6.242 18 HB3 ARG 3 3HB ARG 3 3.571 2.967 -5.811 19 HG2 ARG 3 2HG ARG 3 3.660 0.800 -6.398 20 HG3 ARG 3 3HG ARG 3 3.092 0.552 -4.745 21 HD2 ARG 3 2HD ARG 3 0.816 0.372 -5.497 22 HD3 ARG 3 3HD ARG 3 1.282 0.808 -7.141 23 HE ARG 3 HE ARG 3 1.922 -1.359 -7.493 24 HH11 ARG 3 1HH1 ARG 3 1.615 -0.807 -4.069 25 HH12 ARG 3 2HH1 ARG 3 1.833 -2.474 -3.649 26 HH21 ARG 3 1HH2 ARG 3 2.211 -3.556 -6.952 27 HH22 ARG 3 2HH2 ARG 3 2.174 -4.036 -5.289 28 H MET 4 H MET 4 4.462 1.700 -3.877 29 HA MET 4 HA MET 4 5.721 3.920 -2.421 30 HB2 MET 4 2HB MET 4 6.888 2.118 -1.030 31 HB3 MET 4 3HB MET 4 5.203 2.454 -0.657 32 HG2 MET 4 2HG MET 4 4.557 0.499 -2.027 33 HG3 MET 4 3HG MET 4 6.266 0.140 -2.257 34 HE1 MET 4 3HE MET 4 7.398 -1.306 -1.192 35 HE2 MET 4 1HE MET 4 7.890 -0.585 0.341 36 HE3 MET 4 2HE MET 4 7.067 -2.145 0.324 37 H ILE 5 H ILE 5 7.087 4.573 -4.004 38 HA ILE 5 HA ILE 5 9.190 2.695 -4.774 39 HB ILE 5 HB ILE 5 9.100 3.208 -7.094 40 HG12 ILE 5 2HG1 ILE 5 6.757 4.704 -7.486 41 HG13 ILE 5 3HG1 ILE 5 7.612 5.513 -6.177 42 HG21 ILE 5 1HG2 ILE 5 7.590 1.453 -6.442 43 HG22 ILE 5 2HG2 ILE 5 6.336 2.626 -6.045 44 HG23 ILE 5 3HG2 ILE 5 6.838 2.406 -7.721 45 HD11 ILE 5 3HD1 ILE 5 8.260 6.488 -8.262 46 HD12 ILE 5 1HD1 ILE 5 9.628 5.586 -7.609 47 HD13 ILE 5 2HD1 ILE 5 8.670 4.906 -8.925 48 H HIS 6 H HIS 6 10.976 3.912 -5.990 49 HA HIS 6 HA HIS 6 11.440 6.444 -4.577 50 HB2 HIS 6 2HB HIS 6 13.858 6.013 -5.225 51 HB3 HIS 6 3HB HIS 6 13.157 4.881 -4.072 52 HD1 HIS 6 HD1 HIS 6 12.591 2.478 -4.985 53 HD2 HIS 6 HD2 HIS 6 14.697 4.910 -7.613 54 HE1 HIS 6 HE1 HIS 6 13.480 0.936 -6.762 55 H CYS 7 H CYS 7 10.664 8.046 -5.837 56 HA CYS 7 HA CYS 7 10.404 8.179 -8.550 57 HB2 CYS 7 2HB CYS 7 10.793 10.722 -8.212 58 HB3 CYS 7 3HB CYS 7 9.444 9.956 -7.384 59 HG CYS 7 HG CYS 7 12.139 11.465 -6.119 60 H ALA 8 H ALA 8 11.927 7.567 -9.960 61 HA ALA 8 HA ALA 8 14.717 8.053 -9.557 62 HB1 ALA 8 1HB ALA 8 13.288 6.271 -11.050 63 HB2 ALA 8 2HB ALA 8 13.885 7.385 -12.281 64 HB3 ALA 8 3HB ALA 8 15.020 6.569 -11.206 65 H LYS 9 H LYS 9 12.162 9.910 -10.782 66 HA LYS 9 HA LYS 9 13.595 11.426 -12.727 67 HB2 LYS 9 2HB LYS 9 11.117 11.227 -12.675 68 HB3 LYS 9 3HB LYS 9 11.098 12.183 -11.198 69 HG2 LYS 9 2HG LYS 9 10.544 13.569 -13.091 70 HG3 LYS 9 3HG LYS 9 12.100 14.063 -12.421 71 HD2 LYS 9 2HD LYS 9 12.258 12.033 -14.538 72 HD3 LYS 9 3HD LYS 9 11.626 13.597 -15.059 73 HE2 LYS 9 2HE LYS 9 13.727 14.401 -13.575 74 HE3 LYS 9 3HE LYS 9 14.329 12.845 -14.145 75 HZ1 LYS 9 3HZ LYS 9 13.128 14.237 -16.282 76 HZ2 LYS 9 1HZ LYS 9 14.733 13.729 -16.118 77 HZ3 LYS 9 2HZ LYS 9 14.262 15.245 -15.534 78 H LEU 10 H LEU 10 13.606 11.386 -9.338 79 HA LEU 10 HA LEU 10 15.078 13.929 -9.302 80 HB2 LEU 10 2HB LEU 10 13.619 13.313 -6.842 81 HB3 LEU 10 3HB LEU 10 13.829 14.847 -7.683 82 HG LEU 10 HG LEU 10 11.861 12.731 -8.540 83 HD11 LEU 10 1HD1 LEU 10 10.195 13.727 -7.304 84 HD12 LEU 10 2HD1 LEU 10 11.075 15.245 -7.137 85 HD13 LEU 10 3HD1 LEU 10 11.565 13.834 -6.199 86 HD21 LEU 10 3HD2 LEU 10 12.861 14.864 -9.928 87 HD22 LEU 10 1HD2 LEU 10 11.405 15.542 -9.200 88 HD23 LEU 10 2HD2 LEU 10 11.294 14.104 -10.215 89 H GLY 11 H GLY 11 14.289 11.039 -7.365 90 HA2 GLY 11 2HA GLY 11 16.215 9.546 -6.884 91 HA3 GLY 11 3HA GLY 11 17.114 11.005 -6.494 92 H LYS 12 H LYS 12 13.774 10.368 -5.587 93 HA LYS 12 HA LYS 12 14.619 9.962 -2.804 94 HB2 LYS 12 2HB LYS 12 12.317 11.767 -3.532 95 HB3 LYS 12 3HB LYS 12 13.081 11.566 -1.960 96 HG2 LYS 12 2HG LYS 12 14.893 12.866 -2.521 97 HG3 LYS 12 3HG LYS 12 14.695 12.584 -4.252 98 HD2 LYS 12 2HD LYS 12 12.761 14.020 -4.314 99 HD3 LYS 12 3HD LYS 12 12.794 14.203 -2.559 100 HE2 LYS 12 2HE LYS 12 15.345 14.936 -3.424 101 HE3 LYS 12 3HE LYS 12 14.238 15.658 -4.591 102 HZ1 LYS 12 3HZ LYS 12 13.015 16.262 -2.309 103 HZ2 LYS 12 1HZ LYS 12 14.148 17.275 -3.053 104 HZ3 LYS 12 2HZ LYS 12 14.622 16.268 -1.780 105 H GLU 13 H GLU 13 12.101 9.873 -1.652 106 HA GLU 13 HA GLU 13 10.998 7.456 -2.911 107 HB2 GLU 13 2HB GLU 13 11.234 8.375 -0.075 108 HB3 GLU 13 3HB GLU 13 9.926 7.283 -0.510 109 HG2 GLU 13 2HG GLU 13 11.411 5.581 -1.146 110 HG3 GLU 13 3HG GLU 13 12.786 6.683 -1.180 111 H ALA 14 H ALA 14 9.191 7.762 -4.018 112 HA ALA 14 HA ALA 14 7.159 9.585 -2.926 113 HB1 ALA 14 1HB ALA 14 8.249 9.517 -5.717 114 HB2 ALA 14 2HB ALA 14 6.622 10.113 -5.387 115 HB3 ALA 14 3HB ALA 14 8.016 10.899 -4.646 116 H GLU 15 H GLU 15 5.038 9.243 -4.317 117 HA GLU 15 HA GLU 15 4.389 6.438 -4.017 118 HB2 GLU 15 2HB GLU 15 2.659 8.794 -4.791 119 HB3 GLU 15 3HB GLU 15 2.071 7.169 -4.467 120 HG2 GLU 15 2HG GLU 15 3.407 9.022 -2.510 121 HG3 GLU 15 3HG GLU 15 1.704 8.570 -2.548 122 H GLY 16 H GLY 16 4.244 4.992 -5.610 123 HA2 GLY 16 2HA GLY 16 4.664 5.918 -8.354 124 HA3 GLY 16 3HA GLY 16 4.846 4.268 -7.777 125 H LEU 17 H LEU 17 3.523 4.658 -10.098 126 HA LEU 17 HA LEU 17 0.693 4.913 -9.692 127 HB2 LEU 17 2HB LEU 17 1.868 3.649 -12.123 128 HB3 LEU 17 3HB LEU 17 0.475 4.720 -11.978 129 HG LEU 17 HG LEU 17 3.373 5.544 -11.792 130 HD11 LEU 17 1HD1 LEU 17 1.314 6.057 -13.935 131 HD12 LEU 17 2HD1 LEU 17 2.666 4.931 -14.057 132 HD13 LEU 17 3HD1 LEU 17 2.971 6.661 -13.910 133 HD21 LEU 17 3HD2 LEU 17 2.295 7.853 -11.958 134 HD22 LEU 17 1HD2 LEU 17 2.199 7.022 -10.405 135 HD23 LEU 17 2HD2 LEU 17 0.797 7.055 -11.475 136 H ASP 18 H ASP 18 -0.415 2.928 -11.210 137 HA ASP 18 HA ASP 18 0.450 0.357 -10.177 138 HB2 ASP 18 2HB ASP 18 -1.624 -0.176 -9.073 139 HB3 ASP 18 3HB ASP 18 -1.009 1.328 -8.395 140 H PHE 19 H PHE 19 0.470 1.234 -12.778 141 HA PHE 19 HA PHE 19 -1.220 -0.720 -14.031 142 HB2 PHE 19 2HB PHE 19 -1.827 2.193 -14.240 143 HB3 PHE 19 3HB PHE 19 -2.017 1.202 -15.683 144 HD1 PHE 19 HD1 PHE 19 -3.456 -0.925 -15.441 145 HD2 PHE 19 HD2 PHE 19 -3.536 2.320 -12.689 146 HE1 PHE 19 HE1 PHE 19 -5.668 -1.656 -14.650 147 HE2 PHE 19 HE2 PHE 19 -5.747 1.595 -11.892 148 HZ PHE 19 HZ PHE 19 -6.816 -0.396 -12.872 149 HA PRO 20 HA PRO 20 2.333 -0.797 -16.643 150 HB2 PRO 20 2HB PRO 20 1.315 -2.336 -18.634 151 HB3 PRO 20 3HB PRO 20 1.782 -2.988 -17.059 152 HG2 PRO 20 2HG PRO 20 -0.936 -2.249 -18.073 153 HG3 PRO 20 3HG PRO 20 -0.439 -3.672 -17.139 154 HD2 PRO 20 2HD PRO 20 -1.648 -1.532 -16.002 155 HD3 PRO 20 3HD PRO 20 -0.450 -2.521 -15.142 156 HA PRO 21 HA PRO 21 1.121 2.651 -19.297 157 HB2 PRO 21 2HB PRO 21 3.665 3.481 -19.756 158 HB3 PRO 21 3HB PRO 21 2.779 3.872 -18.277 159 HG2 PRO 21 2HG PRO 21 4.824 1.738 -18.752 160 HG3 PRO 21 3HG PRO 21 4.649 2.831 -17.367 161 HD2 PRO 21 2HD PRO 21 3.796 0.262 -17.312 162 HD3 PRO 21 3HD PRO 21 2.981 1.558 -16.413 163 H LEU 22 H LEU 22 3.161 -0.075 -19.922 164 HA LEU 22 HA LEU 22 2.520 0.098 -22.759 165 HB2 LEU 22 2HB LEU 22 5.348 -0.408 -21.871 166 HB3 LEU 22 3HB LEU 22 4.753 -0.182 -23.515 167 HG LEU 22 HG LEU 22 4.662 2.007 -21.453 168 HD11 LEU 22 1HD1 LEU 22 6.873 1.316 -23.378 169 HD12 LEU 22 2HD1 LEU 22 6.970 1.406 -21.620 170 HD13 LEU 22 3HD1 LEU 22 6.715 2.873 -22.564 171 HD21 LEU 22 3HD2 LEU 22 3.417 1.834 -23.837 172 HD22 LEU 22 1HD2 LEU 22 4.954 2.540 -24.335 173 HD23 LEU 22 2HD2 LEU 22 3.964 3.351 -23.122 174 HA PRO 23 HA PRO 23 1.919 -4.232 -22.288 175 HB2 PRO 23 2HB PRO 23 2.231 -5.027 -24.865 176 HB3 PRO 23 3HB PRO 23 0.804 -4.153 -24.296 177 HG2 PRO 23 2HG PRO 23 3.212 -3.114 -25.741 178 HG3 PRO 23 3HG PRO 23 1.500 -2.730 -25.998 179 HD2 PRO 23 2HD PRO 23 3.167 -1.101 -24.620 180 HD3 PRO 23 3HD PRO 23 1.439 -1.242 -24.238 181 H GLY 24 H GLY 24 4.885 -2.869 -23.190 182 HA2 GLY 24 2HA GLY 24 6.288 -5.366 -23.606 183 HA3 GLY 24 3HA GLY 24 7.003 -3.762 -23.543 184 H GLU 25 H GLU 25 8.402 -5.647 -22.328 185 HA GLU 25 HA GLU 25 7.689 -6.097 -19.607 186 HB2 GLU 25 2HB GLU 25 9.868 -7.069 -19.363 187 HB3 GLU 25 3HB GLU 25 9.233 -7.549 -20.931 188 HG2 GLU 25 2HG GLU 25 10.557 -5.478 -21.790 189 HG3 GLU 25 3HG GLU 25 11.449 -5.665 -20.281 190 H LEU 26 H LEU 26 8.787 -3.376 -21.214 191 HA LEU 26 HA LEU 26 10.374 -2.286 -19.061 192 HB2 LEU 26 2HB LEU 26 11.070 -1.580 -21.173 193 HB3 LEU 26 3HB LEU 26 9.421 -1.266 -21.711 194 HG LEU 26 HG LEU 26 9.351 0.689 -20.179 195 HD11 LEU 26 1HD1 LEU 26 10.862 0.494 -18.504 196 HD12 LEU 26 2HD1 LEU 26 11.858 1.414 -19.631 197 HD13 LEU 26 3HD1 LEU 26 12.046 -0.336 -19.514 198 HD21 LEU 26 3HD2 LEU 26 11.685 0.861 -22.069 199 HD22 LEU 26 1HD2 LEU 26 10.550 2.132 -21.615 200 HD23 LEU 26 2HD2 LEU 26 10.010 0.786 -22.617 201 H GLY 27 H GLY 27 7.089 -2.014 -20.273 202 HA2 GLY 27 2HA GLY 27 6.235 0.266 -18.931 203 HA3 GLY 27 3HA GLY 27 5.204 -1.097 -19.339 204 H LYS 28 H LYS 28 6.164 -3.103 -17.785 205 HA LYS 28 HA LYS 28 4.969 -2.653 -15.318 206 HB2 LYS 28 2HB LYS 28 6.128 -4.748 -14.596 207 HB3 LYS 28 3HB LYS 28 5.261 -4.895 -16.120 208 HG2 LYS 28 2HG LYS 28 7.314 -4.739 -17.362 209 HG3 LYS 28 3HG LYS 28 8.225 -4.420 -15.883 210 HD2 LYS 28 2HD LYS 28 6.623 -6.935 -16.289 211 HD3 LYS 28 3HD LYS 28 8.311 -6.794 -16.785 212 HE2 LYS 28 2HE LYS 28 9.007 -6.385 -14.535 213 HE3 LYS 28 3HE LYS 28 7.337 -6.249 -13.986 214 HZ1 LYS 28 3HZ LYS 28 8.931 -8.555 -14.183 215 HZ2 LYS 28 1HZ LYS 28 7.610 -8.727 -15.227 216 HZ3 LYS 28 2HZ LYS 28 7.356 -8.411 -13.585 217 H ARG 29 H ARG 29 8.190 -1.966 -16.388 218 HA ARG 29 HA ARG 29 9.165 -1.544 -13.676 219 HB2 ARG 29 2HB ARG 29 10.554 -1.148 -16.334 220 HB3 ARG 29 3HB ARG 29 11.316 -1.050 -14.752 221 HG2 ARG 29 2HG ARG 29 10.614 -3.445 -14.396 222 HG3 ARG 29 3HG ARG 29 10.176 -3.476 -16.105 223 HD2 ARG 29 2HD ARG 29 12.505 -2.769 -16.642 224 HD3 ARG 29 3HD ARG 29 12.901 -2.942 -14.933 225 HE ARG 29 HE ARG 29 11.747 -5.328 -15.895 226 HH11 ARG 29 1HH1 ARG 29 14.674 -3.454 -16.093 227 HH12 ARG 29 2HH1 ARG 29 15.687 -4.826 -16.399 228 HH21 ARG 29 1HH2 ARG 29 13.070 -7.143 -16.297 229 HH22 ARG 29 2HH2 ARG 29 14.773 -6.924 -16.515 230 H LEU 30 H LEU 30 7.746 0.224 -16.236 231 HA LEU 30 HA LEU 30 8.857 2.780 -15.663 232 HB2 LEU 30 2HB LEU 30 6.556 1.760 -17.251 233 HB3 LEU 30 3HB LEU 30 6.615 3.477 -16.862 234 HG LEU 30 HG LEU 30 8.749 1.960 -18.362 235 HD11 LEU 30 1HD1 LEU 30 6.775 2.106 -19.717 236 HD12 LEU 30 2HD1 LEU 30 7.946 3.289 -20.298 237 HD13 LEU 30 3HD1 LEU 30 6.575 3.813 -19.321 238 HD21 LEU 30 3HD2 LEU 30 9.736 3.791 -17.203 239 HD22 LEU 30 1HD2 LEU 30 8.417 4.870 -17.659 240 HD23 LEU 30 2HD2 LEU 30 9.538 4.280 -18.887 241 H TYR 31 H TYR 31 5.666 1.361 -14.942 242 HA TYR 31 HA TYR 31 4.752 3.489 -13.353 243 HB2 TYR 31 2HB TYR 31 2.897 2.193 -12.944 244 HB3 TYR 31 3HB TYR 31 3.522 1.381 -14.375 245 HD1 TYR 31 HD2 TYR 31 3.240 1.189 -10.702 246 HD2 TYR 31 HD1 TYR 31 4.337 -0.859 -14.266 247 HE1 TYR 31 HE2 TYR 31 3.343 -0.924 -9.448 248 HE2 TYR 31 HE1 TYR 31 4.442 -2.979 -13.022 249 HH TYR 31 HH TYR 31 4.731 -3.760 -10.735 250 H GLU 32 H GLU 32 7.072 1.080 -12.731 251 HA GLU 32 HA GLU 32 6.782 1.249 -9.835 252 HB2 GLU 32 2HB GLU 32 8.741 -0.311 -11.529 253 HB3 GLU 32 3HB GLU 32 8.604 -0.415 -9.780 254 HG2 GLU 32 2HG GLU 32 6.171 -0.924 -11.398 255 HG3 GLU 32 3HG GLU 32 7.435 -2.152 -11.385 256 H SER 33 H SER 33 8.314 2.942 -12.270 257 HA SER 33 HA SER 33 10.454 3.858 -10.466 258 HB2 SER 33 2HB SER 33 11.683 4.564 -12.426 259 HB3 SER 33 3HB SER 33 11.178 2.891 -12.658 260 HG SER 33 HG SER 33 10.582 5.074 -14.129 261 H VAL 34 H VAL 34 7.923 4.924 -12.689 262 HA VAL 34 HA VAL 34 8.340 7.714 -12.131 263 HB VAL 34 HB VAL 34 7.434 6.923 -14.300 264 HG11 VAL 34 1HG1 VAL 34 5.923 5.208 -13.014 265 HG12 VAL 34 2HG1 VAL 34 4.762 6.537 -13.038 266 HG13 VAL 34 3HG1 VAL 34 5.398 5.893 -14.552 267 HG21 VAL 34 3HG2 VAL 34 7.077 9.205 -13.816 268 HG22 VAL 34 1HG2 VAL 34 5.522 8.589 -14.378 269 HG23 VAL 34 2HG2 VAL 34 5.801 8.839 -12.654 270 H SER 35 H SER 35 7.372 8.956 -10.640 271 HA SER 35 HA SER 35 5.311 7.696 -8.952 272 HB2 SER 35 2HB SER 35 7.765 9.140 -8.292 273 HB3 SER 35 3HB SER 35 6.350 9.781 -7.457 274 HG SER 35 HG SER 35 7.665 7.825 -6.610 275 H LYS 36 H LYS 36 4.128 9.568 -7.652 276 HA LYS 36 HA LYS 36 2.493 10.907 -9.479 277 HB2 LYS 36 2HB LYS 36 2.316 10.363 -6.843 278 HB3 LYS 36 3HB LYS 36 2.728 12.071 -6.765 279 HG2 LYS 36 2HG LYS 36 0.788 12.708 -7.908 280 HG3 LYS 36 3HG LYS 36 0.488 11.068 -8.487 281 HD2 LYS 36 2HD LYS 36 -0.216 10.334 -6.370 282 HD3 LYS 36 3HD LYS 36 0.480 11.738 -5.558 283 HE2 LYS 36 2HE LYS 36 -1.842 11.827 -7.481 284 HE3 LYS 36 3HE LYS 36 -1.989 11.825 -5.724 285 HZ1 LYS 36 3HZ LYS 36 -1.212 13.968 -7.513 286 HZ2 LYS 36 1HZ LYS 36 -0.293 13.849 -6.097 287 HZ3 LYS 36 2HZ LYS 36 -1.971 14.039 -6.003 288 H GLN 37 H GLN 37 5.559 11.756 -8.198 289 HA GLN 37 HA GLN 37 5.261 14.582 -8.816 290 HB2 GLN 37 2HB GLN 37 6.520 13.828 -6.803 291 HB3 GLN 37 3HB GLN 37 7.707 13.082 -7.866 292 HG2 GLN 37 2HG GLN 37 8.638 15.132 -7.233 293 HG3 GLN 37 3HG GLN 37 8.044 15.377 -8.874 294 HE21 GLN 37 1HE2 GLN 37 8.106 16.598 -5.785 295 HE22 GLN 37 2HE2 GLN 37 6.803 17.725 -5.912 296 H ALA 38 H ALA 38 6.831 11.711 -10.082 297 HA ALA 38 HA ALA 38 8.302 13.136 -12.102 298 HB1 ALA 38 1HB ALA 38 7.750 10.184 -12.110 299 HB2 ALA 38 2HB ALA 38 9.132 11.051 -12.782 300 HB3 ALA 38 3HB ALA 38 8.945 10.910 -11.034 301 H TRP 39 H TRP 39 5.178 11.641 -11.830 302 HA TRP 39 HA TRP 39 4.525 11.093 -14.450 303 HB2 TRP 39 2HB TRP 39 2.956 10.487 -12.788 304 HB3 TRP 39 3HB TRP 39 2.860 12.132 -12.164 305 HD1 TRP 39 HD1 TRP 39 0.913 13.571 -13.035 306 HE1 TRP 39 HE1 TRP 39 -0.845 13.332 -14.900 307 HE3 TRP 39 HE3 TRP 39 2.723 9.373 -15.323 308 HZ2 TRP 39 HZ2 TRP 39 -1.393 11.593 -17.055 309 HZ3 TRP 39 HZ3 TRP 39 1.523 8.485 -17.280 310 HH2 TRP 39 HH2 TRP 39 -0.493 9.574 -18.126 311 H GLN 40 H GLN 40 4.702 14.198 -12.831 312 HA GLN 40 HA GLN 40 3.385 15.739 -14.787 313 HB2 GLN 40 2HB GLN 40 5.420 16.403 -12.673 314 HB3 GLN 40 3HB GLN 40 4.809 17.628 -13.777 315 HG2 GLN 40 2HG GLN 40 3.220 16.006 -11.805 316 HG3 GLN 40 3HG GLN 40 3.573 17.732 -11.733 317 HE21 GLN 40 1HE2 GLN 40 1.095 15.892 -12.059 318 HE22 GLN 40 2HE2 GLN 40 0.188 16.692 -13.293 319 H ASP 41 H ASP 41 6.854 15.138 -14.254 320 HA ASP 41 HA ASP 41 7.682 16.545 -16.582 321 HB2 ASP 41 2HB ASP 41 9.014 15.794 -14.424 322 HB3 ASP 41 3HB ASP 41 9.361 14.372 -15.404 323 H TRP 42 H TRP 42 6.703 13.263 -15.944 324 HA TRP 42 HA TRP 42 7.762 12.096 -18.303 325 HB2 TRP 42 2HB TRP 42 7.214 10.588 -16.576 326 HB3 TRP 42 3HB TRP 42 5.606 11.277 -16.368 327 HD1 TRP 42 HD1 TRP 42 4.044 9.309 -16.931 328 HE1 TRP 42 HE1 TRP 42 3.738 7.741 -18.949 329 HE3 TRP 42 HE3 TRP 42 8.133 10.700 -19.665 330 HZ2 TRP 42 HZ2 TRP 42 5.056 7.170 -21.379 331 HZ3 TRP 42 HZ3 TRP 42 8.539 9.593 -21.825 332 HH2 TRP 42 HH2 TRP 42 7.032 7.865 -22.662 333 H LEU 43 H LEU 43 4.522 13.304 -17.469 334 HA LEU 43 HA LEU 43 3.433 12.795 -20.053 335 HB2 LEU 43 2HB LEU 43 1.467 13.718 -19.262 336 HB3 LEU 43 3HB LEU 43 2.220 13.078 -17.803 337 HG LEU 43 HG LEU 43 3.132 15.617 -17.737 338 HD11 LEU 43 1HD1 LEU 43 1.572 17.174 -18.489 339 HD12 LEU 43 2HD1 LEU 43 0.321 15.954 -18.718 340 HD13 LEU 43 3HD1 LEU 43 1.694 16.025 -19.822 341 HD21 LEU 43 3HD2 LEU 43 1.780 14.147 -16.076 342 HD22 LEU 43 1HD2 LEU 43 0.391 15.043 -16.691 343 HD23 LEU 43 2HD2 LEU 43 1.727 15.904 -15.925 344 H LYS 44 H LYS 44 5.342 15.310 -18.719 345 HA LYS 44 HA LYS 44 4.539 17.406 -20.477 346 HB2 LYS 44 2HB LYS 44 6.323 17.093 -18.281 347 HB3 LYS 44 3HB LYS 44 7.239 17.768 -19.623 348 HG2 LYS 44 2HG LYS 44 6.412 19.764 -19.163 349 HG3 LYS 44 3HG LYS 44 4.788 19.163 -19.506 350 HD2 LYS 44 2HD LYS 44 4.631 18.369 -17.168 351 HD3 LYS 44 3HD LYS 44 6.214 19.080 -16.847 352 HE2 LYS 44 2HE LYS 44 4.262 20.895 -18.084 353 HE3 LYS 44 3HE LYS 44 3.841 20.346 -16.463 354 HZ1 LYS 44 3HZ LYS 44 6.385 20.981 -16.096 355 HZ2 LYS 44 1HZ LYS 44 5.124 22.090 -15.890 356 HZ3 LYS 44 2HZ LYS 44 6.011 22.076 -17.330 357 H GLN 45 H GLN 45 7.534 15.466 -20.371 358 HA GLN 45 HA GLN 45 8.528 16.325 -22.843 359 HB2 GLN 45 2HB GLN 45 10.066 14.474 -22.707 360 HB3 GLN 45 3HB GLN 45 9.858 15.156 -21.099 361 HG2 GLN 45 2HG GLN 45 8.529 13.351 -20.390 362 HG3 GLN 45 3HG GLN 45 8.304 12.769 -22.039 363 HE21 GLN 45 1HE2 GLN 45 9.696 11.325 -22.839 364 HE22 GLN 45 2HE2 GLN 45 11.126 10.778 -22.040 365 H GLN 46 H GLN 46 6.036 14.090 -22.071 366 HA GLN 46 HA GLN 46 6.109 12.453 -24.361 367 HB2 GLN 46 2HB GLN 46 4.438 12.782 -22.089 368 HB3 GLN 46 3HB GLN 46 3.407 12.844 -23.512 369 HG2 GLN 46 2HG GLN 46 5.095 10.713 -24.008 370 HG3 GLN 46 3HG GLN 46 4.744 10.592 -22.285 371 HE21 GLN 46 1HE2 GLN 46 3.333 8.967 -22.187 372 HE22 GLN 46 2HE2 GLN 46 1.833 8.899 -23.041 373 H THR 47 H THR 47 4.554 15.553 -23.714 374 HA THR 47 HA THR 47 3.219 15.638 -26.259 375 HB THR 47 HB THR 47 3.668 17.827 -24.221 376 HG1 THR 47 HG1 THR 47 1.257 16.430 -24.758 377 HG21 THR 47 3HG2 THR 47 3.251 18.721 -26.470 378 HG22 THR 47 1HG2 THR 47 1.892 19.028 -25.390 379 HG23 THR 47 2HG2 THR 47 1.793 17.736 -26.587 380 H MET 48 H MET 48 6.048 17.231 -24.821 381 HA MET 48 HA MET 48 6.694 18.870 -26.998 382 HB2 MET 48 2HB MET 48 8.654 19.349 -25.882 383 HB3 MET 48 3HB MET 48 7.657 18.758 -24.560 384 HG2 MET 48 2HG MET 48 9.472 17.516 -24.117 385 HG3 MET 48 3HG MET 48 8.777 16.453 -25.339 386 HE1 MET 48 3HE MET 48 11.258 15.859 -24.647 387 HE2 MET 48 1HE MET 48 12.406 15.966 -25.983 388 HE3 MET 48 2HE MET 48 12.479 17.132 -24.661 389 H LEU 49 H LEU 49 7.004 15.480 -26.570 390 HA LEU 49 HA LEU 49 9.012 15.193 -28.654 391 HB2 LEU 49 2HB LEU 49 7.793 13.463 -26.611 392 HB3 LEU 49 3HB LEU 49 8.180 12.667 -28.136 393 HG LEU 49 HG LEU 49 10.371 14.289 -27.086 394 HD11 LEU 49 1HD1 LEU 49 10.836 12.301 -25.425 395 HD12 LEU 49 2HD1 LEU 49 9.075 12.222 -25.385 396 HD13 LEU 49 3HD1 LEU 49 9.901 13.711 -24.927 397 HD21 LEU 49 3HD2 LEU 49 10.193 11.371 -27.825 398 HD22 LEU 49 1HD2 LEU 49 11.656 12.345 -27.677 399 HD23 LEU 49 2HD2 LEU 49 10.503 12.679 -28.968 400 H ILE 50 H ILE 50 5.664 14.110 -28.088 401 HA ILE 50 HA ILE 50 5.238 13.033 -30.641 402 HB ILE 50 HB ILE 50 3.277 14.178 -28.655 403 HG12 ILE 50 2HG1 ILE 50 3.479 11.285 -29.336 404 HG13 ILE 50 3HG1 ILE 50 4.757 11.982 -28.347 405 HG21 ILE 50 1HG2 ILE 50 1.849 14.232 -30.384 406 HG22 ILE 50 2HG2 ILE 50 2.886 13.231 -31.398 407 HG23 ILE 50 3HG2 ILE 50 1.826 12.478 -30.208 408 HD11 ILE 50 3HD1 ILE 50 2.213 11.079 -27.545 409 HD12 ILE 50 1HD1 ILE 50 3.478 11.810 -26.558 410 HD13 ILE 50 2HD1 ILE 50 2.249 12.826 -27.312 411 H ASN 51 H ASN 51 4.934 16.307 -29.411 412 HA ASN 51 HA ASN 51 3.584 17.353 -31.695 413 HB2 ASN 51 2HB ASN 51 4.997 18.560 -29.339 414 HB3 ASN 51 3HB ASN 51 4.510 19.578 -30.691 415 HD21 ASN 51 1HD2 ASN 51 3.073 16.900 -28.852 416 HD22 ASN 51 2HD2 ASN 51 1.563 17.689 -28.562 417 H GLU 52 H GLU 52 6.966 17.242 -30.654 418 HA GLU 52 HA GLU 52 7.991 18.768 -32.808 419 HB2 GLU 52 2HB GLU 52 9.175 16.918 -30.775 420 HB3 GLU 52 3HB GLU 52 10.155 17.432 -32.141 421 HG2 GLU 52 2HG GLU 52 8.796 19.272 -30.185 422 HG3 GLU 52 3HG GLU 52 10.501 18.826 -30.159 423 H ASN 53 H ASN 53 8.267 15.258 -32.211 424 HA ASN 53 HA ASN 53 9.129 14.680 -34.848 425 HB2 ASN 53 2HB ASN 53 7.933 12.849 -32.755 426 HB3 ASN 53 3HB ASN 53 8.755 12.318 -34.219 427 HD21 ASN 53 1HD2 ASN 53 9.099 13.409 -31.009 428 HD22 ASN 53 2HD2 ASN 53 10.825 13.376 -30.938 429 H ARG 54 H ARG 54 6.068 15.340 -33.533 430 HA ARG 54 HA ARG 54 3.960 15.321 -34.384 431 HB2 ARG 54 2HB ARG 54 5.375 14.908 -37.024 432 HB3 ARG 54 3HB ARG 54 3.709 15.431 -36.817 433 HG2 ARG 54 2HG ARG 54 5.825 17.041 -35.507 434 HG3 ARG 54 3HG ARG 54 5.682 17.135 -37.264 435 HD2 ARG 54 2HD ARG 54 3.427 17.589 -35.313 436 HD3 ARG 54 3HD ARG 54 4.365 18.866 -36.086 437 HE ARG 54 HE ARG 54 3.365 17.268 -38.116 438 HH11 ARG 54 1HH1 ARG 54 2.113 19.297 -35.579 439 HH12 ARG 54 2HH1 ARG 54 0.677 19.723 -36.451 440 HH21 ARG 54 1HH2 ARG 54 1.479 17.820 -39.272 441 HH22 ARG 54 2HH2 ARG 54 0.316 18.881 -38.551 442 H LEU 55 H LEU 55 4.547 13.010 -33.213 443 HA LEU 55 HA LEU 55 4.150 10.762 -34.972 444 HB2 LEU 55 2HB LEU 55 4.024 10.846 -31.964 445 HB3 LEU 55 3HB LEU 55 4.216 9.416 -32.976 446 HG LEU 55 HG LEU 55 6.252 11.632 -32.770 447 HD11 LEU 55 1HD1 LEU 55 5.697 10.121 -30.688 448 HD12 LEU 55 2HD1 LEU 55 7.362 10.496 -31.128 449 HD13 LEU 55 3HD1 LEU 55 6.662 8.940 -31.573 450 HD21 LEU 55 3HD2 LEU 55 6.521 10.497 -34.823 451 HD22 LEU 55 1HD2 LEU 55 6.230 8.924 -34.080 452 HD23 LEU 55 2HD2 LEU 55 7.718 9.804 -33.727 453 H ASN 56 H ASN 56 2.402 9.114 -34.240 454 HA ASN 56 HA ASN 56 -0.140 10.578 -33.970 455 HB2 ASN 56 2HB ASN 56 0.118 9.521 -36.165 456 HB3 ASN 56 3HB ASN 56 0.407 7.964 -35.393 457 HD21 ASN 56 1HD2 ASN 56 -1.300 6.809 -36.024 458 HD22 ASN 56 2HD2 ASN 56 -2.948 7.238 -35.735 459 H MET 57 H MET 57 -0.284 10.453 -31.731 460 HA MET 57 HA MET 57 0.210 8.279 -30.106 461 HB2 MET 57 2HB MET 57 -1.986 10.331 -29.778 462 HB3 MET 57 3HB MET 57 -1.354 9.296 -28.505 463 HG2 MET 57 2HG MET 57 0.868 10.352 -28.829 464 HG3 MET 57 3HG MET 57 0.124 11.462 -29.977 465 HE1 MET 57 3HE MET 57 -1.501 14.092 -28.046 466 HE2 MET 57 1HE MET 57 -1.067 13.345 -29.584 467 HE3 MET 57 2HE MET 57 -2.510 12.812 -28.721 468 H ALA 58 H ALA 58 -2.529 8.904 -32.180 469 HA ALA 58 HA ALA 58 -4.407 7.140 -31.147 470 HB1 ALA 58 1HB ALA 58 -5.594 7.693 -32.955 471 HB2 ALA 58 2HB ALA 58 -4.248 8.760 -33.358 472 HB3 ALA 58 3HB ALA 58 -4.332 7.145 -34.060 473 H ASP 59 H ASP 59 -1.478 6.500 -32.894 474 HA ASP 59 HA ASP 59 -2.190 3.649 -33.073 475 HB2 ASP 59 2HB ASP 59 -0.466 5.430 -34.729 476 HB3 ASP 59 3HB ASP 59 0.006 3.740 -34.576 477 HA PRO 60 HA PRO 60 0.831 2.497 -30.110 478 HB2 PRO 60 2HB PRO 60 1.865 0.226 -31.178 479 HB3 PRO 60 3HB PRO 60 0.238 0.311 -30.494 480 HG2 PRO 60 2HG PRO 60 1.098 0.444 -33.358 481 HG3 PRO 60 3HG PRO 60 -0.262 -0.437 -32.638 482 HD2 PRO 60 2HD PRO 60 -0.573 1.928 -33.918 483 HD3 PRO 60 3HD PRO 60 -1.596 1.440 -32.552 484 H ARG 61 H ARG 61 1.748 3.423 -33.233 485 HA ARG 61 HA ARG 61 4.522 2.918 -33.173 486 HB2 ARG 61 2HB ARG 61 3.096 5.174 -34.591 487 HB3 ARG 61 3HB ARG 61 4.685 4.527 -34.979 488 HG2 ARG 61 2HG ARG 61 2.178 2.877 -35.103 489 HG3 ARG 61 3HG ARG 61 2.796 3.802 -36.473 490 HD2 ARG 61 2HD ARG 61 4.419 1.751 -34.981 491 HD3 ARG 61 3HD ARG 61 3.462 1.377 -36.413 492 HE ARG 61 HE ARG 61 5.097 3.513 -37.077 493 HH11 ARG 61 1HH1 ARG 61 5.460 0.194 -36.089 494 HH12 ARG 61 2HH1 ARG 61 6.952 -0.032 -36.940 495 HH21 ARG 61 1HH2 ARG 61 7.061 3.227 -38.202 496 HH22 ARG 61 2HH2 ARG 61 7.862 1.693 -38.141 497 H ALA 62 H ALA 62 2.552 5.557 -31.948 498 HA ALA 62 HA ALA 62 4.808 7.202 -31.251 499 HB1 ALA 62 1HB ALA 62 2.921 8.463 -31.710 500 HB2 ALA 62 2HB ALA 62 1.855 7.384 -30.809 501 HB3 ALA 62 3HB ALA 62 2.958 8.457 -29.947 502 H ARG 63 H ARG 63 3.106 4.603 -29.803 503 HA ARG 63 HA ARG 63 3.913 5.281 -27.097 504 HB2 ARG 63 2HB ARG 63 2.755 2.629 -27.869 505 HB3 ARG 63 3HB ARG 63 2.556 3.537 -26.377 506 HG2 ARG 63 2HG ARG 63 1.290 4.118 -29.043 507 HG3 ARG 63 3HG ARG 63 0.489 3.565 -27.571 508 HD2 ARG 63 2HD ARG 63 1.733 6.243 -28.131 509 HD3 ARG 63 3HD ARG 63 0.060 5.881 -27.708 510 HE ARG 63 HE ARG 63 2.247 6.264 -25.906 511 HH11 ARG 63 1HH1 ARG 63 -0.800 4.638 -26.344 512 HH12 ARG 63 2HH1 ARG 63 -1.124 4.509 -24.647 513 HH21 ARG 63 1HH2 ARG 63 1.832 6.101 -23.669 514 HH22 ARG 63 2HH2 ARG 63 0.373 5.342 -23.126 515 H GLN 64 H GLN 64 5.044 3.408 -29.760 516 HA GLN 64 HA GLN 64 6.808 1.769 -28.148 517 HB2 GLN 64 2HB GLN 64 6.149 1.967 -31.055 518 HB3 GLN 64 3HB GLN 64 7.667 1.213 -30.584 519 HG2 GLN 64 2HG GLN 64 6.423 -0.365 -29.171 520 HG3 GLN 64 3HG GLN 64 4.914 0.370 -29.708 521 HE21 GLN 64 1HE2 GLN 64 5.293 -2.287 -30.058 522 HE22 GLN 64 2HE2 GLN 64 5.515 -2.647 -31.733 523 H TYR 65 H TYR 65 6.885 4.807 -29.722 524 HA TYR 65 HA TYR 65 9.791 4.877 -29.887 525 HB2 TYR 65 2HB TYR 65 8.722 5.924 -31.728 526 HB3 TYR 65 3HB TYR 65 7.622 6.815 -30.681 527 HD1 TYR 65 HD2 TYR 65 11.155 6.560 -31.764 528 HD2 TYR 65 HD1 TYR 65 8.206 8.942 -29.831 529 HE1 TYR 65 HE2 TYR 65 12.696 8.477 -31.788 530 HE2 TYR 65 HE1 TYR 65 9.738 10.865 -29.851 531 HH TYR 65 HH TYR 65 12.835 10.730 -31.513 532 H LEU 66 H LEU 66 7.170 6.220 -27.975 533 HA LEU 66 HA LEU 66 8.667 8.130 -26.545 534 HB2 LEU 66 2HB LEU 66 6.083 6.710 -26.100 535 HB3 LEU 66 3HB LEU 66 6.787 7.644 -24.782 536 HG LEU 66 HG LEU 66 6.038 8.734 -27.495 537 HD11 LEU 66 1HD1 LEU 66 4.600 8.530 -24.909 538 HD12 LEU 66 2HD1 LEU 66 3.981 8.482 -26.560 539 HD13 LEU 66 3HD1 LEU 66 4.429 10.024 -25.831 540 HD21 LEU 66 3HD2 LEU 66 7.730 9.737 -25.403 541 HD22 LEU 66 1HD2 LEU 66 6.312 10.770 -25.588 542 HD23 LEU 66 2HD2 LEU 66 7.354 10.445 -26.974 543 H MET 67 H MET 67 7.948 4.723 -25.913 544 HA MET 67 HA MET 67 8.987 4.508 -23.347 545 HB2 MET 67 2HB MET 67 9.059 2.171 -23.692 546 HB3 MET 67 3HB MET 67 7.728 2.751 -24.684 547 HG2 MET 67 2HG MET 67 9.409 2.799 -26.602 548 HG3 MET 67 3HG MET 67 10.444 1.835 -25.551 549 HE1 MET 67 3HE MET 67 10.100 -0.997 -27.110 550 HE2 MET 67 1HE MET 67 10.709 -0.170 -25.676 551 HE3 MET 67 2HE MET 67 9.492 -1.435 -25.513 552 H LYS 68 H LYS 68 10.611 4.850 -26.387 553 HA LYS 68 HA LYS 68 13.156 3.876 -25.561 554 HB2 LYS 68 2HB LYS 68 12.510 5.824 -27.782 555 HB3 LYS 68 3HB LYS 68 13.999 4.905 -27.603 556 HG2 LYS 68 2HG LYS 68 11.375 3.491 -27.820 557 HG3 LYS 68 3HG LYS 68 12.191 4.096 -29.264 558 HD2 LYS 68 2HD LYS 68 13.127 2.026 -29.193 559 HD3 LYS 68 3HD LYS 68 14.256 2.854 -28.119 560 HE2 LYS 68 2HE LYS 68 13.239 1.971 -26.195 561 HE3 LYS 68 3HE LYS 68 11.790 1.492 -27.078 562 HZ1 LYS 68 3HZ LYS 68 13.993 0.206 -28.232 563 HZ2 LYS 68 1HZ LYS 68 12.689 -0.487 -27.407 564 HZ3 LYS 68 2HZ LYS 68 14.078 -0.028 -26.558 565 H GLN 69 H GLN 69 11.487 6.896 -25.228 566 HA GLN 69 HA GLN 69 13.903 8.333 -24.481 567 HB2 GLN 69 2HB GLN 69 11.087 9.062 -25.070 568 HB3 GLN 69 3HB GLN 69 11.952 10.093 -23.937 569 HG2 GLN 69 2HG GLN 69 12.387 11.145 -25.919 570 HG3 GLN 69 3HG GLN 69 13.795 10.093 -25.777 571 HE21 GLN 69 1HE2 GLN 69 14.305 9.573 -27.793 572 HE22 GLN 69 2HE2 GLN 69 13.223 8.902 -28.961 573 H THR 70 H THR 70 11.321 6.610 -23.003 574 HA THR 70 HA THR 70 11.683 7.835 -20.400 575 HB THR 70 HB THR 70 10.150 5.306 -20.644 576 HG1 THR 70 HG1 THR 70 9.462 6.275 -22.532 577 HG21 THR 70 3HG2 THR 70 8.517 6.761 -19.328 578 HG22 THR 70 1HG2 THR 70 9.808 7.960 -19.268 579 HG23 THR 70 2HG2 THR 70 10.047 6.370 -18.543 580 H GLU 71 H GLU 71 12.394 4.753 -21.989 581 HA GLU 71 HA GLU 71 13.402 3.406 -19.739 582 HB2 GLU 71 2HB GLU 71 12.805 2.510 -22.100 583 HB3 GLU 71 3HB GLU 71 14.459 2.944 -22.511 584 HG2 GLU 71 2HG GLU 71 13.741 1.132 -20.224 585 HG3 GLU 71 3HG GLU 71 14.103 0.558 -21.850 586 H LYS 72 H LYS 72 15.249 4.889 -22.409 587 HA LYS 72 HA LYS 72 17.748 4.712 -21.148 588 HB2 LYS 72 2HB LYS 72 18.557 6.190 -22.862 589 HB3 LYS 72 3HB LYS 72 17.380 5.101 -23.585 590 HG2 LYS 72 2HG LYS 72 16.517 6.958 -24.472 591 HG3 LYS 72 3HG LYS 72 15.806 7.202 -22.875 592 HD2 LYS 72 2HD LYS 72 16.872 9.241 -23.504 593 HD3 LYS 72 3HD LYS 72 17.865 8.489 -22.254 594 HE2 LYS 72 2HE LYS 72 19.507 7.843 -23.782 595 HE3 LYS 72 3HE LYS 72 18.426 8.027 -25.162 596 HZ1 LYS 72 3HZ LYS 72 20.198 9.910 -24.078 597 HZ2 LYS 72 1HZ LYS 72 18.625 10.505 -23.893 598 HZ3 LYS 72 2HZ LYS 72 19.191 10.072 -25.427 599 H TYR 73 H TYR 73 15.114 6.764 -20.539 600 HA TYR 73 HA TYR 73 16.305 9.142 -19.738 601 HB2 TYR 73 2HB TYR 73 13.758 8.204 -19.772 602 HB3 TYR 73 3HB TYR 73 14.082 8.190 -18.042 603 HD1 TYR 73 HD1 TYR 73 14.955 10.533 -20.827 604 HD2 TYR 73 HD2 TYR 73 13.156 10.025 -17.005 605 HE1 TYR 73 HE1 TYR 73 14.497 12.948 -20.728 606 HE2 TYR 73 HE2 TYR 73 12.693 12.438 -16.896 607 HH TYR 73 HH TYR 73 13.667 14.617 -19.529 608 H PHE 74 H PHE 74 15.150 6.674 -17.443 609 HA PHE 74 HA PHE 74 17.215 7.534 -15.561 610 HB2 PHE 74 2HB PHE 74 15.040 7.469 -14.585 611 HB3 PHE 74 3HB PHE 74 14.719 5.868 -15.244 612 HD1 PHE 74 HD2 PHE 74 17.483 7.369 -13.230 613 HD2 PHE 74 HD1 PHE 74 14.581 4.279 -13.607 614 HE1 PHE 74 HE2 PHE 74 18.301 6.352 -11.145 615 HE2 PHE 74 HE1 PHE 74 15.394 3.257 -11.521 616 HZ PHE 74 HZ PHE 74 17.257 4.293 -10.288 617 H PHE 75 H PHE 75 15.946 4.557 -17.025 618 HA PHE 75 HA PHE 75 17.870 2.828 -15.897 619 HB2 PHE 75 2HB PHE 75 16.378 2.439 -18.497 620 HB3 PHE 75 3HB PHE 75 17.090 1.185 -17.487 621 HD1 PHE 75 HD1 PHE 75 16.212 1.976 -14.812 622 HD2 PHE 75 HD2 PHE 75 14.107 2.005 -18.512 623 HE1 PHE 75 HE1 PHE 75 14.083 1.743 -13.600 624 HE2 PHE 75 HE2 PHE 75 11.976 1.773 -17.306 625 HZ PHE 75 HZ PHE 75 11.962 1.643 -14.847 626 H GLY 76 H GLY 76 17.852 4.826 -18.771 627 HA2 GLY 76 2HA GLY 76 19.639 5.529 -20.058 628 HA3 GLY 76 3HA GLY 76 20.702 4.583 -19.026 629 H GLU 77 H GLU 77 19.820 4.917 -22.102 630 HA GLU 77 HA GLU 77 19.205 2.322 -22.988 631 HB2 GLU 77 2HB GLU 77 20.151 3.161 -25.197 632 HB3 GLU 77 3HB GLU 77 18.822 4.085 -24.510 633 HG2 GLU 77 2HG GLU 77 20.289 5.799 -23.767 634 HG3 GLU 77 3HG GLU 77 21.711 4.831 -24.153 635 H GLY 78 H GLY 78 22.014 3.495 -21.585 636 HA2 GLY 78 2HA GLY 78 23.426 1.043 -22.227 637 HA3 GLY 78 3HA GLY 78 24.187 2.512 -22.821 638 H ALA 79 H ALA 79 22.877 1.071 -19.846 639 HA ALA 79 HA ALA 79 25.248 1.847 -18.396 640 HB1 ALA 79 1HB ALA 79 23.958 3.911 -18.278 641 HB2 ALA 79 2HB ALA 79 22.584 3.026 -17.615 642 HB3 ALA 79 3HB ALA 79 24.079 3.153 -16.690 643 H ASP 80 H ASP 80 25.551 0.664 -16.526 644 HA ASP 80 HA ASP 80 23.673 -1.557 -16.154 645 HB2 ASP 80 2HB ASP 80 26.423 -1.380 -14.943 646 HB3 ASP 80 3HB ASP 80 25.459 -2.817 -15.273 647 H GLN 81 H GLN 81 23.975 -2.412 -13.701 648 HA GLN 81 HA GLN 81 23.151 -2.101 -11.597 649 HB2 GLN 81 2HB GLN 81 24.860 0.388 -11.729 650 HB3 GLN 81 3HB GLN 81 24.302 -0.412 -10.266 651 HG2 GLN 81 2HG GLN 81 25.774 -2.159 -10.492 652 HG3 GLN 81 3HG GLN 81 25.925 -1.946 -12.235 653 HE21 GLN 81 1HE2 GLN 81 28.212 -2.295 -11.096 654 HE22 GLN 81 2HE2 GLN 81 29.093 -0.825 -10.874 655 H ALA 82 H ALA 82 21.408 -1.200 -13.578 656 HA ALA 82 HA ALA 82 20.071 1.000 -12.156 657 HB1 ALA 82 1HB ALA 82 21.231 1.341 -14.602 658 HB2 ALA 82 2HB ALA 82 19.568 0.946 -15.037 659 HB3 ALA 82 3HB ALA 82 19.900 2.307 -13.966 660 H SER 83 H SER 83 19.625 -1.789 -11.848 661 HA SER 83 HA SER 83 16.799 -1.867 -12.425 662 HB2 SER 83 2HB SER 83 18.533 -4.099 -13.499 663 HB3 SER 83 3HB SER 83 16.790 -3.914 -13.689 664 HG SER 83 HG SER 83 18.881 -2.544 -14.953 665 H GLY 84 H GLY 84 15.719 -3.689 -11.363 666 HA2 GLY 84 2HA GLY 84 16.612 -5.680 -9.836 667 HA3 GLY 84 3HA GLY 84 17.047 -4.297 -8.843 668 H TYR 85 H TYR 85 15.171 -6.463 -8.274 669 HA TYR 85 HA TYR 85 12.722 -4.856 -7.950 670 HB2 TYR 85 2HB TYR 85 13.108 -7.612 -8.905 671 HB3 TYR 85 3HB TYR 85 11.847 -7.432 -7.690 672 HD1 TYR 85 HD2 TYR 85 10.197 -5.396 -8.141 673 HD2 TYR 85 HD1 TYR 85 12.524 -7.346 -11.121 674 HE1 TYR 85 HE2 TYR 85 8.639 -4.599 -9.870 675 HE2 TYR 85 HE1 TYR 85 10.974 -6.554 -12.859 676 HH TYR 85 HH TYR 85 9.289 -4.443 -12.997 677 H VAL 86 H VAL 86 11.343 -5.739 -6.085 678 HA VAL 86 HA VAL 86 13.110 -6.389 -3.815 679 HB VAL 86 HB VAL 86 10.613 -4.687 -3.756 680 HG11 VAL 86 1HG1 VAL 86 11.143 -4.283 -1.434 681 HG12 VAL 86 2HG1 VAL 86 10.993 -6.020 -1.710 682 HG13 VAL 86 3HG1 VAL 86 12.589 -5.284 -1.557 683 HG21 VAL 86 3HG2 VAL 86 13.289 -4.025 -4.432 684 HG22 VAL 86 1HG2 VAL 86 11.904 -2.949 -4.243 685 HG23 VAL 86 2HG2 VAL 86 12.933 -3.313 -2.858 686 HA PRO 87 HA PRO 87 10.571 -9.980 -3.335 687 HB2 PRO 87 2HB PRO 87 11.442 -10.694 -0.864 688 HB3 PRO 87 3HB PRO 87 12.402 -10.938 -2.329 689 HG2 PRO 87 2HG PRO 87 12.585 -8.757 -0.286 690 HG3 PRO 87 3HG PRO 87 13.889 -9.661 -1.079 691 HD2 PRO 87 2HD PRO 87 13.162 -7.170 -1.854 692 HD3 PRO 87 3HD PRO 87 13.781 -8.383 -2.994 693 HA PRO 88 HA PRO 88 7.056 -8.948 -0.904 694 HB2 PRO 88 2HB PRO 88 6.321 -11.344 0.139 695 HB3 PRO 88 3HB PRO 88 6.118 -10.936 -1.569 696 HG2 PRO 88 2HG PRO 88 8.270 -12.545 -0.248 697 HG3 PRO 88 3HG PRO 88 7.404 -12.864 -1.762 698 HD2 PRO 88 2HD PRO 88 9.892 -11.796 -1.703 699 HD3 PRO 88 3HD PRO 88 8.710 -11.394 -2.965 700 H ALA 89 H ALA 89 6.036 -9.370 1.357 701 HA ALA 89 HA ALA 89 8.176 -9.019 3.341 702 HB1 ALA 89 1HB ALA 89 6.667 -7.128 3.129 703 HB2 ALA 89 2HB ALA 89 5.283 -8.174 3.449 704 HB3 ALA 89 3HB ALA 89 6.482 -7.888 4.710 705 H GLN 90 H GLN 90 7.536 -9.735 5.609 706 HA GLN 90 HA GLN 90 6.017 -12.250 5.539 707 HB2 GLN 90 2HB GLN 90 7.706 -13.334 6.931 708 HB3 GLN 90 3HB GLN 90 8.405 -12.794 5.410 709 HG2 GLN 90 2HG GLN 90 9.138 -10.713 6.702 710 HG3 GLN 90 3HG GLN 90 8.768 -11.646 8.151 711 HE21 GLN 90 1HE2 GLN 90 10.449 -12.616 9.002 712 HE22 GLN 90 2HE2 GLN 90 11.831 -13.208 8.152 713 H GLY 91 H GLY 91 4.827 -12.719 7.351 714 HA2 GLY 91 2HA GLY 91 4.297 -12.477 9.673 715 HA3 GLY 91 3HA GLY 91 5.077 -10.903 9.651 Start of MODEL 17 1 H1 MET 1 H MET 1 -3.947 -5.954 -0.779 2 HA MET 1 HA MET 1 -1.552 -4.553 -0.239 3 HB2 MET 1 2HB MET 1 -0.192 -6.635 0.336 4 HB3 MET 1 3HB MET 1 -1.180 -5.951 1.621 5 HG2 MET 1 2HG MET 1 -2.789 -7.660 1.432 6 HG3 MET 1 3HG MET 1 -2.125 -8.217 -0.102 7 HE1 MET 1 3HE MET 1 -1.216 -7.987 3.874 8 HE2 MET 1 1HE MET 1 -2.620 -8.902 3.323 9 HE3 MET 1 2HE MET 1 -1.214 -9.748 3.969 10 H ALA 2 H ALA 2 -0.703 -4.306 -2.189 11 HA ALA 2 HA ALA 2 -1.310 -6.235 -4.287 12 HB1 ALA 2 1HB ALA 2 -0.090 -4.452 -5.703 13 HB2 ALA 2 2HB ALA 2 -1.688 -4.079 -5.054 14 HB3 ALA 2 3HB ALA 2 -0.245 -3.438 -4.268 15 H ARG 3 H ARG 3 1.650 -4.351 -3.720 16 HA ARG 3 HA ARG 3 3.201 -6.840 -3.726 17 HB2 ARG 3 2HB ARG 3 3.015 -5.335 -5.984 18 HB3 ARG 3 3HB ARG 3 4.417 -4.604 -5.216 19 HG2 ARG 3 2HG ARG 3 5.460 -6.213 -6.426 20 HG3 ARG 3 3HG ARG 3 5.139 -7.135 -4.956 21 HD2 ARG 3 2HD ARG 3 2.911 -7.749 -6.140 22 HD3 ARG 3 3HD ARG 3 3.753 -7.247 -7.605 23 HE ARG 3 HE ARG 3 5.224 -9.130 -6.006 24 HH11 ARG 3 1HH1 ARG 3 2.829 -8.743 -8.502 25 HH12 ARG 3 2HH1 ARG 3 3.095 -10.313 -9.183 26 HH21 ARG 3 1HH2 ARG 3 5.584 -11.200 -6.893 27 HH22 ARG 3 2HH2 ARG 3 4.662 -11.711 -8.266 28 H MET 4 H MET 4 5.724 -5.841 -3.617 29 HA MET 4 HA MET 4 5.735 -3.937 -1.381 30 HB2 MET 4 2HB MET 4 7.592 -5.384 -0.377 31 HB3 MET 4 3HB MET 4 5.942 -5.971 -0.224 32 HG2 MET 4 2HG MET 4 6.323 -7.435 -2.177 33 HG3 MET 4 3HG MET 4 8.001 -6.897 -2.212 34 HE1 MET 4 3HE MET 4 6.206 -10.182 -1.031 35 HE2 MET 4 1HE MET 4 5.882 -9.685 0.630 36 HE3 MET 4 2HE MET 4 5.254 -8.732 -0.713 37 H ILE 5 H ILE 5 6.659 -2.258 -2.441 38 HA ILE 5 HA ILE 5 9.405 -2.657 -3.381 39 HB ILE 5 HB ILE 5 9.099 -1.371 -5.366 40 HG12 ILE 5 2HG1 ILE 5 6.304 -1.021 -5.590 41 HG13 ILE 5 3HG1 ILE 5 6.752 -0.430 -3.994 42 HG21 ILE 5 1HG2 ILE 5 7.445 -2.753 -6.610 43 HG22 ILE 5 2HG2 ILE 5 8.581 -3.694 -5.645 44 HG23 ILE 5 3HG2 ILE 5 6.933 -3.444 -5.071 45 HD11 ILE 5 3HD1 ILE 5 7.527 1.437 -4.877 46 HD12 ILE 5 1HD1 ILE 5 8.637 0.529 -5.903 47 HD13 ILE 5 2HD1 ILE 5 7.002 0.878 -6.466 48 H HIS 6 H HIS 6 10.464 -0.451 -3.795 49 HA HIS 6 HA HIS 6 9.714 1.330 -1.578 50 HB2 HIS 6 2HB HIS 6 12.105 2.161 -1.834 51 HB3 HIS 6 3HB HIS 6 11.914 0.517 -1.232 52 HD1 HIS 6 HD1 HIS 6 12.484 -1.423 -2.929 53 HD2 HIS 6 HD2 HIS 6 13.489 2.401 -4.206 54 HE1 HIS 6 HE1 HIS 6 14.054 -1.752 -4.866 55 H CYS 7 H CYS 7 8.325 2.775 -2.473 56 HA CYS 7 HA CYS 7 8.164 3.789 -4.978 57 HB2 CYS 7 2HB CYS 7 7.449 5.997 -3.777 58 HB3 CYS 7 3HB CYS 7 6.489 4.539 -3.560 59 HG CYS 7 HG CYS 7 6.489 4.792 -1.011 60 H ALA 8 H ALA 8 9.846 4.370 -6.207 61 HA ALA 8 HA ALA 8 12.146 5.721 -5.168 62 HB1 ALA 8 1HB ALA 8 11.348 4.498 -7.682 63 HB2 ALA 8 2HB ALA 8 12.278 5.980 -7.908 64 HB3 ALA 8 3HB ALA 8 12.948 4.656 -6.956 65 H LYS 9 H LYS 9 9.088 6.752 -6.135 66 HA LYS 9 HA LYS 9 9.821 9.296 -7.233 67 HB2 LYS 9 2HB LYS 9 7.578 7.853 -7.398 68 HB3 LYS 9 3HB LYS 9 7.128 8.875 -6.039 69 HG2 LYS 9 2HG LYS 9 8.213 10.075 -8.555 70 HG3 LYS 9 3HG LYS 9 6.511 9.622 -8.423 71 HD2 LYS 9 2HD LYS 9 6.118 11.556 -7.401 72 HD3 LYS 9 3HD LYS 9 7.151 11.029 -6.070 73 HE2 LYS 9 2HE LYS 9 8.191 12.984 -6.670 74 HE3 LYS 9 3HE LYS 9 9.076 11.826 -7.662 75 HZ1 LYS 9 3HZ LYS 9 8.290 12.725 -9.530 76 HZ2 LYS 9 1HZ LYS 9 7.863 14.058 -8.579 77 HZ3 LYS 9 2HZ LYS 9 6.714 12.868 -8.931 78 H LEU 10 H LEU 10 9.572 8.020 -4.085 79 HA LEU 10 HA LEU 10 9.773 10.735 -2.966 80 HB2 LEU 10 2HB LEU 10 8.654 8.686 -1.190 81 HB3 LEU 10 3HB LEU 10 8.198 10.375 -1.405 82 HG LEU 10 HG LEU 10 7.402 8.170 -3.300 83 HD11 LEU 10 1HD1 LEU 10 6.436 7.728 -1.121 84 HD12 LEU 10 2HD1 LEU 10 5.195 8.294 -2.237 85 HD13 LEU 10 3HD1 LEU 10 5.851 9.388 -1.020 86 HD21 LEU 10 3HD2 LEU 10 5.890 10.694 -3.031 87 HD22 LEU 10 1HD2 LEU 10 6.239 9.724 -4.462 88 HD23 LEU 10 2HD2 LEU 10 7.472 10.800 -3.804 89 H GLY 11 H GLY 11 10.300 7.289 -2.197 90 HA2 GLY 11 2HA GLY 11 12.672 6.646 -1.835 91 HA3 GLY 11 3HA GLY 11 12.807 8.101 -0.859 92 H LYS 12 H LYS 12 10.056 5.915 -0.824 93 HA LYS 12 HA LYS 12 10.896 4.921 1.810 94 HB2 LYS 12 2HB LYS 12 8.059 5.757 1.230 95 HB3 LYS 12 3HB LYS 12 8.769 5.342 2.785 96 HG2 LYS 12 2HG LYS 12 9.811 7.375 3.008 97 HG3 LYS 12 3HG LYS 12 9.855 7.665 1.267 98 HD2 LYS 12 2HD LYS 12 7.490 8.117 1.232 99 HD3 LYS 12 3HD LYS 12 7.337 7.659 2.930 100 HE2 LYS 12 2HE LYS 12 9.334 9.736 2.454 101 HE3 LYS 12 3HE LYS 12 7.704 10.209 1.980 102 HZ1 LYS 12 3HZ LYS 12 7.137 9.198 4.315 103 HZ2 LYS 12 1HZ LYS 12 7.684 10.792 4.166 104 HZ3 LYS 12 2HZ LYS 12 8.755 9.571 4.637 105 H GLU 13 H GLU 13 8.641 3.411 2.378 106 HA GLU 13 HA GLU 13 8.801 1.366 0.273 107 HB2 GLU 13 2HB GLU 13 8.630 1.272 3.227 108 HB3 GLU 13 3HB GLU 13 7.722 0.040 2.362 109 HG2 GLU 13 2HG GLU 13 9.614 -0.928 1.476 110 HG3 GLU 13 3HG GLU 13 10.577 0.536 1.660 111 H ALA 14 H ALA 14 7.104 1.274 -1.029 112 HA ALA 14 HA ALA 14 4.418 1.549 0.126 113 HB1 ALA 14 1HB ALA 14 4.667 3.665 -0.828 114 HB2 ALA 14 2HB ALA 14 5.521 3.033 -2.236 115 HB3 ALA 14 3HB ALA 14 3.791 2.745 -2.052 116 H GLU 15 H GLU 15 2.715 0.782 -1.471 117 HA GLU 15 HA GLU 15 3.431 -1.850 -2.338 118 HB2 GLU 15 2HB GLU 15 1.118 -2.157 -2.818 119 HB3 GLU 15 3HB GLU 15 1.211 -1.207 -1.342 120 HG2 GLU 15 2HG GLU 15 1.079 0.776 -3.138 121 HG3 GLU 15 3HG GLU 15 0.193 -0.475 -4.009 122 H GLY 16 H GLY 16 3.763 -2.620 -4.363 123 HA2 GLY 16 2HA GLY 16 3.891 -0.605 -6.510 124 HA3 GLY 16 3HA GLY 16 4.866 -2.066 -6.439 125 H LEU 17 H LEU 17 3.451 -1.363 -8.716 126 HA LEU 17 HA LEU 17 0.909 -2.618 -8.863 127 HB2 LEU 17 2HB LEU 17 2.904 -1.737 -10.927 128 HB3 LEU 17 3HB LEU 17 1.403 -2.548 -11.371 129 HG LEU 17 HG LEU 17 0.192 -0.683 -10.158 130 HD11 LEU 17 1HD1 LEU 17 1.494 1.439 -9.979 131 HD12 LEU 17 2HD1 LEU 17 2.963 0.493 -10.217 132 HD13 LEU 17 3HD1 LEU 17 1.947 0.201 -8.806 133 HD21 LEU 17 3HD2 LEU 17 0.634 0.951 -12.052 134 HD22 LEU 17 1HD2 LEU 17 0.125 -0.674 -12.510 135 HD23 LEU 17 2HD2 LEU 17 1.822 -0.212 -12.639 136 H ASP 18 H ASP 18 0.804 -4.297 -10.910 137 HA ASP 18 HA ASP 18 2.806 -6.389 -10.562 138 HB2 ASP 18 2HB ASP 18 -0.047 -7.254 -10.398 139 HB3 ASP 18 3HB ASP 18 1.398 -8.026 -9.751 140 H PHE 19 H PHE 19 2.186 -4.643 -12.739 141 HA PHE 19 HA PHE 19 1.911 -6.600 -14.815 142 HB2 PHE 19 2HB PHE 19 -0.339 -4.751 -14.168 143 HB3 PHE 19 3HB PHE 19 0.006 -5.075 -15.864 144 HD1 PHE 19 HD2 PHE 19 0.670 -7.828 -16.021 145 HD2 PHE 19 HD1 PHE 19 -2.182 -5.930 -13.494 146 HE1 PHE 19 HE2 PHE 19 -0.597 -9.932 -15.876 147 HE2 PHE 19 HE1 PHE 19 -3.452 -8.032 -13.344 148 HZ PHE 19 HZ PHE 19 -2.661 -10.036 -14.537 149 HA PRO 20 HA PRO 20 4.403 -3.730 -17.006 150 HB2 PRO 20 2HB PRO 20 3.673 -4.210 -19.576 151 HB3 PRO 20 3HB PRO 20 4.643 -5.341 -18.626 152 HG2 PRO 20 2HG PRO 20 1.706 -5.386 -19.203 153 HG3 PRO 20 3HG PRO 20 2.869 -6.724 -19.215 154 HD2 PRO 20 2HD PRO 20 1.190 -6.272 -17.140 155 HD3 PRO 20 3HD PRO 20 2.812 -6.960 -16.923 156 HA PRO 21 HA PRO 21 1.502 -0.280 -17.297 157 HB2 PRO 21 2HB PRO 21 3.411 1.635 -17.051 158 HB3 PRO 21 3HB PRO 21 2.746 0.757 -15.668 159 HG2 PRO 21 2HG PRO 21 5.308 0.300 -17.148 160 HG3 PRO 21 3HG PRO 21 5.007 0.283 -15.401 161 HD2 PRO 21 2HD PRO 21 5.205 -1.984 -16.867 162 HD3 PRO 21 3HD PRO 21 4.155 -1.858 -15.441 163 H LEU 22 H LEU 22 4.342 -0.983 -19.192 164 HA LEU 22 HA LEU 22 3.110 0.322 -21.492 165 HB2 LEU 22 2HB LEU 22 5.833 0.959 -20.401 166 HB3 LEU 22 3HB LEU 22 5.433 1.214 -22.098 167 HG LEU 22 HG LEU 22 3.651 2.443 -20.064 168 HD11 LEU 22 1HD1 LEU 22 5.329 3.476 -19.023 169 HD12 LEU 22 2HD1 LEU 22 5.532 4.399 -20.511 170 HD13 LEU 22 3HD1 LEU 22 6.509 2.958 -20.227 171 HD21 LEU 22 3HD2 LEU 22 4.749 3.325 -22.731 172 HD22 LEU 22 1HD2 LEU 22 3.592 4.228 -21.752 173 HD23 LEU 22 2HD2 LEU 22 3.144 2.661 -22.425 174 HA PRO 23 HA PRO 23 4.535 -3.198 -23.692 175 HB2 PRO 23 2HB PRO 23 4.992 -2.153 -26.156 176 HB3 PRO 23 3HB PRO 23 3.368 -2.399 -25.503 177 HG2 PRO 23 2HG PRO 23 5.004 0.105 -25.618 178 HG3 PRO 23 3HG PRO 23 3.280 -0.121 -25.963 179 HD2 PRO 23 2HD PRO 23 4.175 0.884 -23.614 180 HD3 PRO 23 3HD PRO 23 2.701 -0.098 -23.732 181 H GLY 24 H GLY 24 6.472 -3.965 -23.015 182 HA2 GLY 24 2HA GLY 24 8.733 -4.177 -24.246 183 HA3 GLY 24 3HA GLY 24 8.902 -2.492 -23.777 184 H GLU 25 H GLU 25 10.879 -3.907 -22.907 185 HA GLU 25 HA GLU 25 10.450 -5.307 -20.468 186 HB2 GLU 25 2HB GLU 25 12.909 -5.172 -20.220 187 HB3 GLU 25 3HB GLU 25 12.418 -5.764 -21.801 188 HG2 GLU 25 2HG GLU 25 12.812 -3.549 -22.754 189 HG3 GLU 25 3HG GLU 25 13.312 -2.960 -21.169 190 H LEU 26 H LEU 26 10.903 -1.973 -21.299 191 HA LEU 26 HA LEU 26 11.854 -0.916 -18.913 192 HB2 LEU 26 2HB LEU 26 11.759 0.552 -20.716 193 HB3 LEU 26 3HB LEU 26 10.078 0.158 -21.070 194 HG LEU 26 HG LEU 26 9.393 1.393 -19.045 195 HD11 LEU 26 1HD1 LEU 26 12.348 1.790 -18.807 196 HD12 LEU 26 2HD1 LEU 26 11.179 1.323 -17.573 197 HD13 LEU 26 3HD1 LEU 26 11.224 2.986 -18.160 198 HD21 LEU 26 3HD2 LEU 26 11.013 3.411 -20.429 199 HD22 LEU 26 1HD2 LEU 26 9.267 3.311 -20.204 200 HD23 LEU 26 2HD2 LEU 26 10.045 2.384 -21.488 201 H GLY 27 H GLY 27 8.597 -1.891 -19.818 202 HA2 GLY 27 2HA GLY 27 7.204 -0.725 -17.673 203 HA3 GLY 27 3HA GLY 27 6.677 -2.132 -18.585 204 H LYS 28 H LYS 28 8.716 -3.920 -17.977 205 HA LYS 28 HA LYS 28 7.844 -5.037 -15.592 206 HB2 LYS 28 2HB LYS 28 10.562 -5.427 -16.856 207 HB3 LYS 28 3HB LYS 28 9.757 -6.530 -15.749 208 HG2 LYS 28 2HG LYS 28 7.958 -6.818 -17.438 209 HG3 LYS 28 3HG LYS 28 8.913 -5.838 -18.554 210 HD2 LYS 28 2HD LYS 28 10.729 -7.450 -18.450 211 HD3 LYS 28 3HD LYS 28 9.836 -8.409 -17.268 212 HE2 LYS 28 2HE LYS 28 8.639 -7.787 -19.940 213 HE3 LYS 28 3HE LYS 28 9.796 -9.106 -19.765 214 HZ1 LYS 28 3HZ LYS 28 7.077 -8.865 -18.704 215 HZ2 LYS 28 1HZ LYS 28 8.208 -9.739 -17.800 216 HZ3 LYS 28 2HZ LYS 28 7.853 -10.204 -19.387 217 H ARG 29 H ARG 29 10.301 -2.638 -16.169 218 HA ARG 29 HA ARG 29 11.307 -2.815 -13.443 219 HB2 ARG 29 2HB ARG 29 12.071 -0.907 -15.660 220 HB3 ARG 29 3HB ARG 29 12.915 -1.114 -14.132 221 HG2 ARG 29 2HG ARG 29 13.244 -3.543 -14.838 222 HG3 ARG 29 3HG ARG 29 12.749 -3.010 -16.447 223 HD2 ARG 29 2HD ARG 29 14.614 -1.665 -16.717 224 HD3 ARG 29 3HD ARG 29 14.898 -1.539 -14.981 225 HE ARG 29 HE ARG 29 16.153 -3.448 -15.086 226 HH11 ARG 29 1HH1 ARG 29 14.233 -3.190 -17.979 227 HH12 ARG 29 2HH1 ARG 29 15.003 -4.528 -18.766 228 HH21 ARG 29 1HH2 ARG 29 17.174 -5.212 -16.112 229 HH22 ARG 29 2HH2 ARG 29 16.674 -5.678 -17.702 230 H LEU 30 H LEU 30 8.958 -1.099 -15.226 231 HA LEU 30 HA LEU 30 8.933 1.268 -13.602 232 HB2 LEU 30 2HB LEU 30 7.192 0.139 -15.748 233 HB3 LEU 30 3HB LEU 30 6.593 1.462 -14.749 234 HG LEU 30 HG LEU 30 9.060 1.535 -16.485 235 HD11 LEU 30 1HD1 LEU 30 7.565 1.876 -18.109 236 HD12 LEU 30 2HD1 LEU 30 7.332 3.461 -17.371 237 HD13 LEU 30 3HD1 LEU 30 6.244 2.132 -16.969 238 HD21 LEU 30 3HD2 LEU 30 7.809 3.539 -14.629 239 HD22 LEU 30 1HD2 LEU 30 8.863 4.018 -15.959 240 HD23 LEU 30 2HD2 LEU 30 9.480 2.975 -14.678 241 H TYR 31 H TYR 31 6.754 -1.533 -13.933 242 HA TYR 31 HA TYR 31 5.047 -0.816 -11.811 243 HB2 TYR 31 2HB TYR 31 3.974 -2.817 -12.194 244 HB3 TYR 31 3HB TYR 31 4.818 -2.621 -13.726 245 HD1 TYR 31 HD1 TYR 31 4.756 -4.455 -10.540 246 HD2 TYR 31 HD2 TYR 31 6.624 -4.087 -14.345 247 HE1 TYR 31 HE1 TYR 31 5.841 -6.637 -10.211 248 HE2 TYR 31 HE2 TYR 31 7.713 -6.270 -14.027 249 HH TYR 31 HH TYR 31 8.321 -7.675 -11.532 250 H GLU 32 H GLU 32 8.204 -2.114 -11.841 251 HA GLU 32 HA GLU 32 7.964 -3.109 -9.094 252 HB2 GLU 32 2HB GLU 32 9.839 -4.400 -9.459 253 HB3 GLU 32 3HB GLU 32 9.143 -4.359 -11.073 254 HG2 GLU 32 2HG GLU 32 10.676 -2.461 -11.600 255 HG3 GLU 32 3HG GLU 32 11.450 -2.732 -10.039 256 H SER 33 H SER 33 8.514 -0.257 -10.542 257 HA SER 33 HA SER 33 10.471 0.600 -8.511 258 HB2 SER 33 2HB SER 33 11.036 2.460 -10.081 259 HB3 SER 33 3HB SER 33 11.410 0.863 -10.728 260 HG SER 33 HG SER 33 9.534 2.721 -11.554 261 H VAL 34 H VAL 34 7.532 1.466 -10.268 262 HA VAL 34 HA VAL 34 7.063 3.758 -8.542 263 HB VAL 34 HB VAL 34 6.527 3.875 -10.963 264 HG11 VAL 34 1HG1 VAL 34 5.243 2.384 -12.015 265 HG12 VAL 34 2HG1 VAL 34 5.403 1.386 -10.568 266 HG13 VAL 34 3HG1 VAL 34 4.005 2.445 -10.760 267 HG21 VAL 34 3HG2 VAL 34 5.295 5.108 -8.998 268 HG22 VAL 34 1HG2 VAL 34 4.714 5.248 -10.657 269 HG23 VAL 34 2HG2 VAL 34 3.923 4.139 -9.536 270 H SER 35 H SER 35 5.278 3.983 -7.167 271 HA SER 35 HA SER 35 4.091 1.429 -6.304 272 HB2 SER 35 2HB SER 35 5.104 3.794 -4.812 273 HB3 SER 35 3HB SER 35 3.677 2.987 -4.161 274 HG SER 35 HG SER 35 4.835 1.098 -3.998 275 H LYS 36 H LYS 36 1.994 2.034 -4.893 276 HA LYS 36 HA LYS 36 0.067 2.903 -6.781 277 HB2 LYS 36 2HB LYS 36 -0.492 1.244 -5.098 278 HB3 LYS 36 3HB LYS 36 -0.167 2.396 -3.810 279 HG2 LYS 36 2HG LYS 36 -2.090 3.627 -4.256 280 HG3 LYS 36 3HG LYS 36 -2.264 2.946 -5.875 281 HD2 LYS 36 2HD LYS 36 -2.716 0.731 -4.814 282 HD3 LYS 36 3HD LYS 36 -2.714 1.539 -3.244 283 HE2 LYS 36 2HE LYS 36 -4.627 2.812 -3.791 284 HE3 LYS 36 3HE LYS 36 -4.506 2.400 -5.501 285 HZ1 LYS 36 3HZ LYS 36 -6.225 1.198 -4.014 286 HZ2 LYS 36 1HZ LYS 36 -4.903 0.268 -3.513 287 HZ3 LYS 36 2HZ LYS 36 -5.342 0.303 -5.145 288 H GLN 37 H GLN 37 1.996 4.563 -4.498 289 HA GLN 37 HA GLN 37 0.214 6.857 -4.339 290 HB2 GLN 37 2HB GLN 37 1.542 6.083 -2.366 291 HB3 GLN 37 3HB GLN 37 3.005 6.545 -3.225 292 HG2 GLN 37 2HG GLN 37 2.208 8.208 -1.557 293 HG3 GLN 37 3HG GLN 37 2.401 8.840 -3.191 294 HE21 GLN 37 1HE2 GLN 37 0.987 10.537 -2.816 295 HE22 GLN 37 2HE2 GLN 37 -0.720 10.307 -2.691 296 H ALA 38 H ALA 38 3.206 5.888 -5.894 297 HA ALA 38 HA ALA 38 3.626 8.539 -7.013 298 HB1 ALA 38 1HB ALA 38 5.595 7.407 -8.122 299 HB2 ALA 38 2HB ALA 38 5.619 7.452 -6.359 300 HB3 ALA 38 3HB ALA 38 5.172 5.966 -7.197 301 H TRP 39 H TRP 39 1.945 5.711 -7.810 302 HA TRP 39 HA TRP 39 2.198 5.472 -10.548 303 HB2 TRP 39 2HB TRP 39 0.897 3.865 -9.342 304 HB3 TRP 39 3HB TRP 39 -0.222 5.104 -8.778 305 HD1 TRP 39 HD1 TRP 39 -2.463 4.595 -9.909 306 HE1 TRP 39 HE1 TRP 39 -3.243 4.104 -12.312 307 HE3 TRP 39 HE3 TRP 39 2.095 4.376 -12.213 308 HZ2 TRP 39 HZ2 TRP 39 -2.080 3.679 -14.849 309 HZ3 TRP 39 HZ3 TRP 39 2.174 3.922 -14.630 310 HH2 TRP 39 HH2 TRP 39 0.128 3.580 -15.919 311 H GLN 40 H GLN 40 0.451 7.872 -8.693 312 HA GLN 40 HA GLN 40 -0.959 8.959 -10.939 313 HB2 GLN 40 2HB GLN 40 -0.434 10.144 -8.207 314 HB3 GLN 40 3HB GLN 40 -1.569 10.777 -9.393 315 HG2 GLN 40 2HG GLN 40 -1.807 7.973 -8.375 316 HG3 GLN 40 3HG GLN 40 -2.464 9.335 -7.468 317 HE21 GLN 40 1HE2 GLN 40 -4.058 7.293 -8.427 318 HE22 GLN 40 2HE2 GLN 40 -5.092 7.914 -9.664 319 H ASP 41 H ASP 41 1.857 9.984 -9.027 320 HA ASP 41 HA ASP 41 2.392 12.319 -10.519 321 HB2 ASP 41 2HB ASP 41 3.383 11.227 -8.213 322 HB3 ASP 41 3HB ASP 41 4.727 10.989 -9.326 323 H TRP 42 H TRP 42 3.005 8.986 -11.123 324 HA TRP 42 HA TRP 42 5.122 9.433 -13.030 325 HB2 TRP 42 2HB TRP 42 4.124 7.217 -11.611 326 HB3 TRP 42 3HB TRP 42 3.840 6.864 -13.314 327 HD1 TRP 42 HD1 TRP 42 5.725 5.229 -13.933 328 HE1 TRP 42 HE1 TRP 42 8.293 5.245 -13.758 329 HE3 TRP 42 HE3 TRP 42 6.325 9.510 -11.204 330 HZ2 TRP 42 HZ2 TRP 42 10.306 6.859 -12.613 331 HZ3 TRP 42 HZ3 TRP 42 8.605 10.220 -10.610 332 HH2 TRP 42 HH2 TRP 42 10.553 8.920 -11.300 333 H LEU 43 H LEU 43 1.754 8.280 -13.252 334 HA LEU 43 HA LEU 43 1.703 8.419 -16.099 335 HB2 LEU 43 2HB LEU 43 -0.464 7.648 -15.967 336 HB3 LEU 43 3HB LEU 43 0.255 7.009 -14.490 337 HG LEU 43 HG LEU 43 -0.766 9.302 -13.534 338 HD11 LEU 43 1HD1 LEU 43 -2.355 8.600 -15.969 339 HD12 LEU 43 2HD1 LEU 43 -1.830 10.182 -15.393 340 HD13 LEU 43 3HD1 LEU 43 -3.135 9.331 -14.566 341 HD21 LEU 43 3HD2 LEU 43 -2.927 7.671 -13.295 342 HD22 LEU 43 1HD2 LEU 43 -1.476 7.570 -12.297 343 HD23 LEU 43 2HD2 LEU 43 -1.658 6.513 -13.697 344 H LYS 44 H LYS 44 1.565 10.772 -13.716 345 HA LYS 44 HA LYS 44 -0.297 12.581 -14.871 346 HB2 LYS 44 2HB LYS 44 1.645 12.600 -12.674 347 HB3 LYS 44 3HB LYS 44 1.457 14.162 -13.459 348 HG2 LYS 44 2HG LYS 44 -0.937 12.595 -12.588 349 HG3 LYS 44 3HG LYS 44 -0.035 13.589 -11.442 350 HD2 LYS 44 2HD LYS 44 -0.917 14.754 -14.051 351 HD3 LYS 44 3HD LYS 44 -2.071 14.597 -12.725 352 HE2 LYS 44 2HE LYS 44 0.604 15.956 -12.457 353 HE3 LYS 44 3HE LYS 44 -0.884 16.809 -12.866 354 HZ1 LYS 44 3HZ LYS 44 -0.575 15.163 -10.419 355 HZ2 LYS 44 1HZ LYS 44 -1.829 16.237 -10.788 356 HZ3 LYS 44 2HZ LYS 44 -0.279 16.828 -10.461 357 H GLN 45 H GLN 45 3.264 12.465 -14.918 358 HA GLN 45 HA GLN 45 3.628 14.667 -16.619 359 HB2 GLN 45 2HB GLN 45 5.879 13.999 -16.794 360 HB3 GLN 45 3HB GLN 45 5.371 13.462 -15.199 361 HG2 GLN 45 2HG GLN 45 6.344 11.543 -15.815 362 HG3 GLN 45 3HG GLN 45 4.812 11.260 -16.639 363 HE21 GLN 45 1HE2 GLN 45 7.613 10.397 -17.198 364 HE22 GLN 45 2HE2 GLN 45 7.899 10.857 -18.838 365 H GLN 46 H GLN 46 2.798 11.355 -17.262 366 HA GLN 46 HA GLN 46 3.554 11.084 -19.915 367 HB2 GLN 46 2HB GLN 46 1.813 9.730 -18.083 368 HB3 GLN 46 3HB GLN 46 1.017 9.857 -19.646 369 HG2 GLN 46 2HG GLN 46 2.528 8.511 -20.686 370 HG3 GLN 46 3HG GLN 46 3.842 8.957 -19.599 371 HE21 GLN 46 1HE2 GLN 46 4.300 7.674 -17.921 372 HE22 GLN 46 2HE2 GLN 46 3.392 6.275 -17.468 373 H THR 47 H THR 47 0.690 12.625 -18.545 374 HA THR 47 HA THR 47 -0.381 13.246 -21.165 375 HB THR 47 HB THR 47 -1.331 14.033 -18.404 376 HG1 THR 47 HG1 THR 47 -2.231 12.083 -20.280 377 HG21 THR 47 3HG2 THR 47 -2.189 14.848 -21.101 378 HG22 THR 47 1HG2 THR 47 -2.417 15.651 -19.548 379 HG23 THR 47 2HG2 THR 47 -3.483 14.328 -20.022 380 H MET 48 H MET 48 1.356 14.859 -18.581 381 HA MET 48 HA MET 48 0.982 17.517 -19.364 382 HB2 MET 48 2HB MET 48 3.246 16.139 -17.929 383 HB3 MET 48 3HB MET 48 3.234 17.874 -18.213 384 HG2 MET 48 2HG MET 48 0.944 16.515 -16.850 385 HG3 MET 48 3HG MET 48 2.391 16.986 -15.962 386 HE1 MET 48 3HE MET 48 0.896 18.922 -14.309 387 HE2 MET 48 1HE MET 48 2.590 18.825 -14.791 388 HE3 MET 48 2HE MET 48 1.727 20.359 -14.907 389 H LEU 49 H LEU 49 3.302 15.091 -20.446 390 HA LEU 49 HA LEU 49 4.843 16.863 -22.051 391 HB2 LEU 49 2HB LEU 49 4.617 13.922 -21.717 392 HB3 LEU 49 3HB LEU 49 5.377 14.524 -23.188 393 HG LEU 49 HG LEU 49 6.898 13.904 -21.237 394 HD11 LEU 49 1HD1 LEU 49 8.099 16.277 -21.591 395 HD12 LEU 49 2HD1 LEU 49 6.950 16.320 -22.928 396 HD13 LEU 49 3HD1 LEU 49 8.105 14.993 -22.800 397 HD21 LEU 49 3HD2 LEU 49 5.317 15.247 -19.653 398 HD22 LEU 49 1HD2 LEU 49 6.281 16.626 -20.180 399 HD23 LEU 49 2HD2 LEU 49 7.060 15.259 -19.383 400 H ILE 50 H ILE 50 2.100 14.735 -22.683 401 HA ILE 50 HA ILE 50 2.077 15.047 -25.493 402 HB ILE 50 HB ILE 50 -0.139 14.314 -23.580 403 HG12 ILE 50 2HG1 ILE 50 1.120 12.440 -25.535 404 HG13 ILE 50 3HG1 ILE 50 2.015 12.853 -24.077 405 HG21 ILE 50 1HG2 ILE 50 -0.102 14.282 -26.592 406 HG22 ILE 50 2HG2 ILE 50 -1.316 13.472 -25.603 407 HG23 ILE 50 3HG2 ILE 50 -1.162 15.228 -25.547 408 HD11 ILE 50 3HD1 ILE 50 -0.399 11.207 -24.421 409 HD12 ILE 50 1HD1 ILE 50 0.927 11.061 -23.268 410 HD13 ILE 50 2HD1 ILE 50 -0.356 12.240 -22.993 411 H ASN 51 H ASN 51 0.745 16.931 -22.863 412 HA ASN 51 HA ASN 51 -0.774 18.627 -24.670 413 HB2 ASN 51 2HB ASN 51 -0.460 18.492 -21.682 414 HB3 ASN 51 3HB ASN 51 -1.207 19.890 -22.449 415 HD21 ASN 51 1HD2 ASN 51 -1.361 16.352 -22.727 416 HD22 ASN 51 2HD2 ASN 51 -3.086 16.262 -22.757 417 H GLU 52 H GLU 52 2.287 18.572 -23.069 418 HA GLU 52 HA GLU 52 2.752 21.414 -23.401 419 HB2 GLU 52 2HB GLU 52 3.661 20.245 -21.441 420 HB3 GLU 52 3HB GLU 52 4.613 19.210 -22.495 421 HG2 GLU 52 2HG GLU 52 5.978 20.963 -21.527 422 HG3 GLU 52 3HG GLU 52 5.871 21.141 -23.278 423 H ASN 53 H ASN 53 3.234 18.514 -25.170 424 HA ASN 53 HA ASN 53 4.973 19.946 -27.070 425 HB2 ASN 53 2HB ASN 53 4.859 17.016 -26.355 426 HB3 ASN 53 3HB ASN 53 5.663 17.605 -27.807 427 HD21 ASN 53 1HD2 ASN 53 5.663 17.674 -24.309 428 HD22 ASN 53 2HD2 ASN 53 7.312 18.156 -24.128 429 H ARG 54 H ARG 54 1.937 18.585 -26.563 430 HA ARG 54 HA ARG 54 0.142 18.174 -27.899 431 HB2 ARG 54 2HB ARG 54 1.739 19.976 -29.718 432 HB3 ARG 54 3HB ARG 54 0.124 19.405 -30.115 433 HG2 ARG 54 2HG ARG 54 -0.354 21.439 -29.194 434 HG3 ARG 54 3HG ARG 54 -0.476 20.402 -27.772 435 HD2 ARG 54 2HD ARG 54 1.543 21.137 -26.905 436 HD3 ARG 54 3HD ARG 54 2.133 21.679 -28.475 437 HE ARG 54 HE ARG 54 -0.151 23.143 -27.523 438 HH11 ARG 54 1HH1 ARG 54 3.321 22.896 -27.475 439 HH12 ARG 54 2HH1 ARG 54 3.565 24.566 -27.084 440 HH21 ARG 54 1HH2 ARG 54 0.157 25.344 -27.009 441 HH22 ARG 54 2HH2 ARG 54 1.765 25.957 -26.818 442 H LEU 55 H LEU 55 1.884 16.096 -27.813 443 HA LEU 55 HA LEU 55 2.757 15.188 -30.355 444 HB2 LEU 55 2HB LEU 55 2.085 13.445 -28.000 445 HB3 LEU 55 3HB LEU 55 3.238 13.125 -29.294 446 HG LEU 55 HG LEU 55 3.667 15.424 -27.423 447 HD11 LEU 55 1HD1 LEU 55 4.498 14.150 -25.739 448 HD12 LEU 55 2HD1 LEU 55 4.945 12.822 -26.809 449 HD13 LEU 55 3HD1 LEU 55 3.262 13.037 -26.326 450 HD21 LEU 55 3HD2 LEU 55 5.261 13.818 -29.353 451 HD22 LEU 55 1HD2 LEU 55 6.081 14.491 -27.944 452 HD23 LEU 55 2HD2 LEU 55 5.244 15.560 -29.070 453 H ASN 56 H ASN 56 1.867 12.639 -30.662 454 HA ASN 56 HA ASN 56 -1.022 12.967 -31.143 455 HB2 ASN 56 2HB ASN 56 0.848 12.823 -33.104 456 HB3 ASN 56 3HB ASN 56 0.466 11.116 -32.903 457 HD21 ASN 56 1HD2 ASN 56 -2.102 10.940 -32.496 458 HD22 ASN 56 2HD2 ASN 56 -3.023 11.660 -33.768 459 H MET 57 H MET 57 -1.525 11.905 -29.187 460 HA MET 57 HA MET 57 -0.532 9.502 -28.263 461 HB2 MET 57 2HB MET 57 -3.388 10.482 -28.087 462 HB3 MET 57 3HB MET 57 -2.669 9.239 -27.072 463 HG2 MET 57 2HG MET 57 -1.015 10.968 -26.309 464 HG3 MET 57 3HG MET 57 -1.997 12.165 -27.150 465 HE1 MET 57 3HE MET 57 -5.380 11.976 -25.299 466 HE2 MET 57 1HE MET 57 -4.325 13.225 -25.963 467 HE3 MET 57 2HE MET 57 -4.686 11.782 -26.910 468 H ALA 58 H ALA 58 -2.709 10.105 -30.903 469 HA ALA 58 HA ALA 58 -3.996 7.691 -31.219 470 HB1 ALA 58 1HB ALA 58 -4.541 8.396 -33.313 471 HB2 ALA 58 2HB ALA 58 -3.973 9.927 -32.646 472 HB3 ALA 58 3HB ALA 58 -2.909 8.962 -33.670 473 H ASP 59 H ASP 59 -0.649 8.474 -31.807 474 HA ASP 59 HA ASP 59 -0.191 5.688 -32.656 475 HB2 ASP 59 2HB ASP 59 1.950 6.741 -33.715 476 HB3 ASP 59 3HB ASP 59 0.409 6.881 -34.557 477 HA PRO 60 HA PRO 60 2.515 5.160 -29.243 478 HB2 PRO 60 2HB PRO 60 4.397 3.507 -30.290 479 HB3 PRO 60 3HB PRO 60 2.753 2.976 -29.914 480 HG2 PRO 60 2HG PRO 60 3.931 3.776 -32.548 481 HG3 PRO 60 3HG PRO 60 2.855 2.418 -32.170 482 HD2 PRO 60 2HD PRO 60 1.960 4.720 -33.280 483 HD3 PRO 60 3HD PRO 60 0.971 3.746 -32.174 484 H ARG 61 H ARG 61 3.516 6.763 -32.050 485 HA ARG 61 HA ARG 61 6.249 7.140 -31.639 486 HB2 ARG 61 2HB ARG 61 4.333 9.182 -32.772 487 HB3 ARG 61 3HB ARG 61 6.060 9.065 -33.080 488 HG2 ARG 61 2HG ARG 61 3.963 7.077 -33.925 489 HG3 ARG 61 3HG ARG 61 4.795 8.232 -34.967 490 HD2 ARG 61 2HD ARG 61 6.947 7.134 -34.331 491 HD3 ARG 61 3HD ARG 61 6.007 5.906 -33.483 492 HE ARG 61 HE ARG 61 4.997 5.973 -36.038 493 HH11 ARG 61 1HH1 ARG 61 8.100 5.386 -34.573 494 HH12 ARG 61 2HH1 ARG 61 8.629 4.306 -35.819 495 HH21 ARG 61 1HH2 ARG 61 5.683 4.552 -37.685 496 HH22 ARG 61 2HH2 ARG 61 7.254 3.833 -37.590 497 H ALA 62 H ALA 62 3.473 8.696 -30.174 498 HA ALA 62 HA ALA 62 5.027 10.750 -28.885 499 HB1 ALA 62 1HB ALA 62 2.925 11.330 -27.762 500 HB2 ALA 62 2HB ALA 62 2.720 11.189 -29.509 501 HB3 ALA 62 3HB ALA 62 2.169 9.892 -28.448 502 H ARG 63 H ARG 63 3.704 7.609 -28.031 503 HA ARG 63 HA ARG 63 4.325 7.855 -25.237 504 HB2 ARG 63 2HB ARG 63 3.558 5.468 -26.924 505 HB3 ARG 63 3HB ARG 63 3.767 5.419 -25.178 506 HG2 ARG 63 2HG ARG 63 1.583 5.839 -25.082 507 HG3 ARG 63 3HG ARG 63 2.019 7.498 -25.497 508 HD2 ARG 63 2HD ARG 63 0.453 7.071 -27.111 509 HD3 ARG 63 3HD ARG 63 1.917 6.562 -27.951 510 HE ARG 63 HE ARG 63 1.156 4.401 -27.905 511 HH11 ARG 63 1HH1 ARG 63 -0.723 6.332 -25.701 512 HH12 ARG 63 2HH1 ARG 63 -1.890 5.088 -25.400 513 HH21 ARG 63 1HH2 ARG 63 -0.374 2.754 -27.517 514 HH22 ARG 63 2HH2 ARG 63 -1.690 3.053 -26.433 515 H GLN 64 H GLN 64 6.053 7.003 -28.061 516 HA GLN 64 HA GLN 64 8.048 5.425 -26.672 517 HB2 GLN 64 2HB GLN 64 7.374 4.921 -29.014 518 HB3 GLN 64 3HB GLN 64 8.065 6.459 -29.512 519 HG2 GLN 64 2HG GLN 64 9.466 4.354 -29.839 520 HG3 GLN 64 3HG GLN 64 10.242 5.757 -29.104 521 HE21 GLN 64 1HE2 GLN 64 11.608 5.121 -27.608 522 HE22 GLN 64 2HE2 GLN 64 11.339 3.876 -26.441 523 H TYR 65 H TYR 65 7.477 8.710 -27.429 524 HA TYR 65 HA TYR 65 10.283 9.458 -27.177 525 HB2 TYR 65 2HB TYR 65 9.608 11.054 -28.595 526 HB3 TYR 65 3HB TYR 65 7.915 10.650 -28.333 527 HD1 TYR 65 HD2 TYR 65 6.700 11.709 -26.399 528 HD2 TYR 65 HD1 TYR 65 10.564 12.990 -27.636 529 HE1 TYR 65 HE2 TYR 65 6.379 13.827 -25.190 530 HE2 TYR 65 HE1 TYR 65 10.254 15.110 -26.429 531 HH TYR 65 HH TYR 65 8.969 16.093 -24.734 532 H LEU 66 H LEU 66 7.285 9.569 -25.375 533 HA LEU 66 HA LEU 66 8.380 11.233 -23.283 534 HB2 LEU 66 2HB LEU 66 6.229 10.793 -22.150 535 HB3 LEU 66 3HB LEU 66 6.047 11.452 -23.775 536 HG LEU 66 HG LEU 66 5.742 8.949 -24.452 537 HD11 LEU 66 1HD1 LEU 66 6.100 8.650 -21.705 538 HD12 LEU 66 2HD1 LEU 66 5.534 7.432 -22.846 539 HD13 LEU 66 3HD1 LEU 66 4.371 8.429 -21.972 540 HD21 LEU 66 3HD2 LEU 66 3.294 9.565 -23.130 541 HD22 LEU 66 1HD2 LEU 66 3.696 9.708 -24.842 542 HD23 LEU 66 2HD2 LEU 66 3.998 11.060 -23.750 543 H MET 67 H MET 67 7.902 7.831 -23.910 544 HA MET 67 HA MET 67 8.136 6.801 -21.333 545 HB2 MET 67 2HB MET 67 8.435 5.792 -24.064 546 HB3 MET 67 3HB MET 67 9.440 4.944 -22.897 547 HG2 MET 67 2HG MET 67 7.169 4.922 -21.529 548 HG3 MET 67 3HG MET 67 6.492 5.044 -23.152 549 HE1 MET 67 3HE MET 67 6.791 1.728 -24.679 550 HE2 MET 67 1HE MET 67 6.175 3.381 -24.673 551 HE3 MET 67 2HE MET 67 7.835 3.061 -25.174 552 H LYS 68 H LYS 68 10.546 8.102 -23.481 553 HA LYS 68 HA LYS 68 12.816 7.025 -22.130 554 HB2 LYS 68 2HB LYS 68 12.601 9.432 -23.949 555 HB3 LYS 68 3HB LYS 68 14.101 8.663 -23.449 556 HG2 LYS 68 2HG LYS 68 12.006 7.056 -24.838 557 HG3 LYS 68 3HG LYS 68 13.068 8.117 -25.766 558 HD2 LYS 68 2HD LYS 68 14.246 6.136 -25.810 559 HD3 LYS 68 3HD LYS 68 14.960 6.935 -24.408 560 HE2 LYS 68 2HE LYS 68 13.932 5.529 -22.913 561 HE3 LYS 68 3HE LYS 68 12.588 5.181 -24.000 562 HZ1 LYS 68 3HZ LYS 68 15.276 3.991 -23.935 563 HZ2 LYS 68 1HZ LYS 68 14.424 4.032 -25.396 564 HZ3 LYS 68 2HZ LYS 68 13.769 3.231 -24.059 565 H GLN 69 H GLN 69 10.689 9.642 -21.516 566 HA GLN 69 HA GLN 69 12.558 11.119 -19.875 567 HB2 GLN 69 2HB GLN 69 10.486 11.982 -21.272 568 HB3 GLN 69 3HB GLN 69 9.614 11.609 -19.791 569 HG2 GLN 69 2HG GLN 69 10.649 13.261 -18.597 570 HG3 GLN 69 3HG GLN 69 12.091 13.241 -19.611 571 HE21 GLN 69 1HE2 GLN 69 10.959 15.609 -18.904 572 HE22 GLN 69 2HE2 GLN 69 10.224 16.350 -20.281 573 H THR 70 H THR 70 10.346 8.538 -19.488 574 HA THR 70 HA THR 70 10.035 8.938 -16.624 575 HB THR 70 HB THR 70 9.159 6.391 -17.864 576 HG1 THR 70 HG1 THR 70 8.340 7.541 -19.486 577 HG21 THR 70 3HG2 THR 70 7.282 8.108 -16.393 578 HG22 THR 70 1HG2 THR 70 8.713 7.628 -15.481 579 HG23 THR 70 2HG2 THR 70 7.659 6.399 -16.181 580 H GLU 71 H GLU 71 11.543 6.606 -18.835 581 HA GLU 71 HA GLU 71 12.585 4.912 -16.832 582 HB2 GLU 71 2HB GLU 71 12.344 4.266 -19.212 583 HB3 GLU 71 3HB GLU 71 13.638 5.381 -19.627 584 HG2 GLU 71 2HG GLU 71 15.115 4.062 -18.069 585 HG3 GLU 71 3HG GLU 71 13.821 2.867 -17.996 586 H LYS 72 H LYS 72 14.317 7.268 -18.879 587 HA LYS 72 HA LYS 72 16.721 7.197 -17.452 588 HB2 LYS 72 2HB LYS 72 15.677 8.598 -19.671 589 HB3 LYS 72 3HB LYS 72 16.281 9.815 -18.555 590 HG2 LYS 72 2HG LYS 72 18.349 8.117 -18.507 591 HG3 LYS 72 3HG LYS 72 17.739 7.792 -20.131 592 HD2 LYS 72 2HD LYS 72 17.712 10.588 -19.817 593 HD3 LYS 72 3HD LYS 72 19.259 10.031 -19.176 594 HE2 LYS 72 2HE LYS 72 19.368 8.624 -21.350 595 HE3 LYS 72 3HE LYS 72 18.137 9.742 -21.937 596 HZ1 LYS 72 3HZ LYS 72 19.747 11.164 -22.408 597 HZ2 LYS 72 1HZ LYS 72 20.917 10.129 -21.759 598 HZ3 LYS 72 2HZ LYS 72 20.150 11.265 -20.768 599 H TYR 73 H TYR 73 13.722 8.616 -16.654 600 HA TYR 73 HA TYR 73 14.395 10.831 -15.150 601 HB2 TYR 73 2HB TYR 73 12.086 9.445 -15.628 602 HB3 TYR 73 3HB TYR 73 12.337 9.130 -13.915 603 HD1 TYR 73 HD1 TYR 73 12.838 12.130 -16.096 604 HD2 TYR 73 HD2 TYR 73 11.009 10.494 -12.620 605 HE1 TYR 73 HE1 TYR 73 11.898 14.339 -15.559 606 HE2 TYR 73 HE2 TYR 73 10.063 12.698 -12.073 607 HH TYR 73 HH TYR 73 9.762 15.137 -14.154 608 H PHE 74 H PHE 74 13.673 7.667 -13.678 609 HA PHE 74 HA PHE 74 15.408 8.365 -11.435 610 HB2 PHE 74 2HB PHE 74 13.043 7.462 -11.136 611 HB3 PHE 74 3HB PHE 74 13.672 5.910 -11.679 612 HD1 PHE 74 HD1 PHE 74 13.863 8.461 -9.031 613 HD2 PHE 74 HD2 PHE 74 14.963 4.532 -10.245 614 HE1 PHE 74 HE1 PHE 74 14.583 7.956 -6.733 615 HE2 PHE 74 HE2 PHE 74 15.683 4.021 -7.949 616 HZ PHE 74 HZ PHE 74 15.493 5.733 -6.189 617 H PHE 75 H PHE 75 14.961 5.778 -13.820 618 HA PHE 75 HA PHE 75 17.172 4.226 -12.969 619 HB2 PHE 75 2HB PHE 75 15.925 4.285 -15.722 620 HB3 PHE 75 3HB PHE 75 16.870 2.978 -15.017 621 HD1 PHE 75 HD2 PHE 75 15.732 2.729 -12.349 622 HD2 PHE 75 HD1 PHE 75 13.810 3.435 -16.081 623 HE1 PHE 75 HE2 PHE 75 13.669 1.710 -11.476 624 HE2 PHE 75 HE1 PHE 75 11.744 2.418 -15.214 625 HZ PHE 75 HZ PHE 75 11.672 1.552 -12.909 626 H GLY 76 H GLY 76 16.804 6.871 -15.244 627 HA2 GLY 76 2HA GLY 76 18.332 8.020 -16.525 628 HA3 GLY 76 3HA GLY 76 19.388 7.787 -15.140 629 H GLU 77 H GLU 77 18.078 5.549 -17.583 630 HA GLU 77 HA GLU 77 20.282 3.898 -17.750 631 HB2 GLU 77 2HB GLU 77 19.431 3.208 -19.946 632 HB3 GLU 77 3HB GLU 77 18.136 3.340 -18.765 633 HG2 GLU 77 2HG GLU 77 17.226 5.200 -19.764 634 HG3 GLU 77 3HG GLU 77 18.743 5.656 -20.539 635 H GLY 78 H GLY 78 19.850 7.077 -19.033 636 HA2 GLY 78 2HA GLY 78 21.937 6.905 -21.001 637 HA3 GLY 78 3HA GLY 78 21.135 8.371 -20.455 638 H ALA 79 H ALA 79 23.256 5.889 -19.011 639 HA ALA 79 HA ALA 79 24.928 8.086 -17.976 640 HB1 ALA 79 1HB ALA 79 24.665 7.353 -15.900 641 HB2 ALA 79 2HB ALA 79 23.494 6.174 -16.493 642 HB3 ALA 79 3HB ALA 79 25.198 5.737 -16.366 643 H ASP 80 H ASP 80 27.054 6.773 -17.019 644 HA ASP 80 HA ASP 80 28.621 6.233 -19.240 645 HB2 ASP 80 2HB ASP 80 28.905 5.750 -16.314 646 HB3 ASP 80 3HB ASP 80 30.033 4.932 -17.391 647 H GLN 81 H GLN 81 28.019 4.720 -20.685 648 HA GLN 81 HA GLN 81 27.644 1.973 -19.684 649 HB2 GLN 81 2HB GLN 81 26.211 1.568 -21.654 650 HB3 GLN 81 3HB GLN 81 25.560 2.815 -20.598 651 HG2 GLN 81 2HG GLN 81 26.731 4.468 -22.181 652 HG3 GLN 81 3HG GLN 81 26.819 3.104 -23.294 653 HE21 GLN 81 1HE2 GLN 81 24.641 1.901 -23.462 654 HE22 GLN 81 2HE2 GLN 81 23.258 2.910 -23.695 655 H ALA 82 H ALA 82 27.841 0.488 -21.872 656 HA ALA 82 HA ALA 82 30.412 1.214 -23.114 657 HB1 ALA 82 1HB ALA 82 29.727 -1.619 -22.405 658 HB2 ALA 82 2HB ALA 82 31.302 -0.919 -22.785 659 HB3 ALA 82 3HB ALA 82 30.517 -0.544 -21.251 660 H SER 83 H SER 83 27.779 1.593 -24.187 661 HA SER 83 HA SER 83 28.116 0.141 -26.670 662 HB2 SER 83 2HB SER 83 26.636 -1.281 -25.154 663 HB3 SER 83 3HB SER 83 25.431 -0.002 -25.298 664 HG SER 83 HG SER 83 25.946 -1.978 -26.998 665 H GLY 84 H GLY 84 27.075 1.118 -28.437 666 HA2 GLY 84 2HA GLY 84 25.639 3.624 -27.880 667 HA3 GLY 84 3HA GLY 84 27.047 3.656 -28.932 668 H TYR 85 H TYR 85 23.699 2.879 -28.654 669 HA TYR 85 HA TYR 85 23.635 2.289 -31.537 670 HB2 TYR 85 2HB TYR 85 22.567 0.725 -29.291 671 HB3 TYR 85 3HB TYR 85 21.408 1.007 -30.585 672 HD1 TYR 85 HD2 TYR 85 22.259 0.482 -33.001 673 HD2 TYR 85 HD1 TYR 85 24.046 -1.054 -29.458 674 HE1 TYR 85 HE2 TYR 85 23.267 -1.342 -34.307 675 HE2 TYR 85 HE1 TYR 85 25.059 -2.882 -30.754 676 HH TYR 85 HH TYR 85 24.620 -3.102 -34.272 677 H VAL 86 H VAL 86 21.407 2.636 -32.471 678 HA VAL 86 HA VAL 86 19.991 4.352 -33.103 679 HB VAL 86 HB VAL 86 18.166 4.671 -31.364 680 HG11 VAL 86 1HG1 VAL 86 18.154 2.958 -33.177 681 HG12 VAL 86 2HG1 VAL 86 18.834 1.807 -32.025 682 HG13 VAL 86 3HG1 VAL 86 17.236 2.499 -31.743 683 HG21 VAL 86 3HG2 VAL 86 19.599 4.258 -29.397 684 HG22 VAL 86 1HG2 VAL 86 18.179 3.213 -29.431 685 HG23 VAL 86 2HG2 VAL 86 19.757 2.573 -29.890 686 HA PRO 87 HA PRO 87 22.269 7.689 -30.754 687 HB2 PRO 87 2HB PRO 87 23.337 8.866 -32.954 688 HB3 PRO 87 3HB PRO 87 24.126 7.537 -32.098 689 HG2 PRO 87 2HG PRO 87 22.475 7.467 -34.594 690 HG3 PRO 87 3HG PRO 87 23.991 6.621 -34.231 691 HD2 PRO 87 2HD PRO 87 21.575 5.407 -34.087 692 HD3 PRO 87 3HD PRO 87 22.928 4.971 -33.023 693 HA PRO 88 HA PRO 88 19.299 10.841 -31.510 694 HB2 PRO 88 2HB PRO 88 20.754 13.116 -31.241 695 HB3 PRO 88 3HB PRO 88 20.326 12.083 -29.873 696 HG2 PRO 88 2HG PRO 88 22.892 12.226 -31.408 697 HG3 PRO 88 3HG PRO 88 22.641 12.102 -29.657 698 HD2 PRO 88 2HD PRO 88 23.290 9.966 -31.190 699 HD3 PRO 88 3HD PRO 88 22.270 9.829 -29.744 700 H ALA 89 H ALA 89 19.266 13.192 -32.696 701 HA ALA 89 HA ALA 89 20.415 12.834 -35.381 702 HB1 ALA 89 1HB ALA 89 17.953 12.174 -35.177 703 HB2 ALA 89 2HB ALA 89 17.638 13.899 -34.983 704 HB3 ALA 89 3HB ALA 89 18.393 13.302 -36.460 705 H GLN 90 H GLN 90 20.610 14.803 -36.622 706 HA GLN 90 HA GLN 90 21.338 17.043 -34.943 707 HB2 GLN 90 2HB GLN 90 22.392 17.958 -36.877 708 HB3 GLN 90 3HB GLN 90 22.740 16.234 -36.868 709 HG2 GLN 90 2HG GLN 90 22.187 16.495 -39.051 710 HG3 GLN 90 3HG GLN 90 20.591 16.144 -38.390 711 HE21 GLN 90 1HE2 GLN 90 19.329 17.261 -39.756 712 HE22 GLN 90 2HE2 GLN 90 19.409 18.971 -39.993 713 H GLY 91 H GLY 91 18.834 16.201 -37.237 714 HA2 GLY 91 2HA GLY 91 17.815 18.892 -37.443 715 HA3 GLY 91 3HA GLY 91 17.071 17.440 -38.095 Start of MODEL 18 1 H1 MET 1 H MET 1 -0.834 -3.957 -1.161 2 HA MET 1 HA MET 1 -0.182 -5.982 -2.036 3 HB2 MET 1 2HB MET 1 -2.083 -7.475 -2.428 4 HB3 MET 1 3HB MET 1 -2.349 -6.470 -1.010 5 HG2 MET 1 2HG MET 1 -3.397 -5.419 -3.555 6 HG3 MET 1 3HG MET 1 -4.179 -6.868 -2.927 7 HE1 MET 1 3HE MET 1 -4.401 -6.310 0.464 8 HE2 MET 1 1HE MET 1 -6.073 -5.955 0.029 9 HE3 MET 1 2HE MET 1 -5.173 -7.186 -0.858 10 H ALA 2 H ALA 2 0.372 -4.072 -3.907 11 HA ALA 2 HA ALA 2 -0.783 -4.712 -6.455 12 HB1 ALA 2 1HB ALA 2 1.091 -3.246 -7.315 13 HB2 ALA 2 2HB ALA 2 -0.040 -2.487 -6.194 14 HB3 ALA 2 3HB ALA 2 1.548 -3.003 -5.629 15 H ARG 3 H ARG 3 2.671 -4.744 -5.618 16 HA ARG 3 HA ARG 3 2.960 -7.507 -6.397 17 HB2 ARG 3 2HB ARG 3 3.038 -5.741 -8.459 18 HB3 ARG 3 3HB ARG 3 4.732 -5.762 -7.987 19 HG2 ARG 3 2HG ARG 3 4.856 -7.505 -9.384 20 HG3 ARG 3 3HG ARG 3 4.183 -8.412 -8.028 21 HD2 ARG 3 2HD ARG 3 1.897 -7.812 -8.966 22 HD3 ARG 3 3HD ARG 3 2.748 -7.291 -10.419 23 HE ARG 3 HE ARG 3 2.967 -9.482 -11.000 24 HH11 ARG 3 1HH1 ARG 3 2.403 -9.298 -7.569 25 HH12 ARG 3 2HH1 ARG 3 2.310 -11.016 -7.361 26 HH21 ARG 3 1HH2 ARG 3 2.846 -11.745 -10.738 27 HH22 ARG 3 2HH2 ARG 3 2.564 -12.406 -9.164 28 H MET 4 H MET 4 5.600 -7.754 -6.743 29 HA MET 4 HA MET 4 6.882 -6.328 -4.520 30 HB2 MET 4 2HB MET 4 7.990 -8.560 -3.942 31 HB3 MET 4 3HB MET 4 6.309 -8.352 -3.472 32 HG2 MET 4 2HG MET 4 5.548 -9.880 -4.979 33 HG3 MET 4 3HG MET 4 6.878 -9.600 -6.101 34 HE1 MET 4 3HE MET 4 5.355 -12.284 -4.539 35 HE2 MET 4 1HE MET 4 6.433 -13.058 -3.376 36 HE3 MET 4 2HE MET 4 5.620 -11.550 -2.957 37 H ILE 5 H ILE 5 8.284 -5.143 -5.715 38 HA ILE 5 HA ILE 5 10.299 -6.640 -7.233 39 HB ILE 5 HB ILE 5 10.311 -5.093 -9.048 40 HG12 ILE 5 2HG1 ILE 5 8.077 -3.439 -8.693 41 HG13 ILE 5 3HG1 ILE 5 8.928 -3.394 -7.153 42 HG21 ILE 5 1HG2 ILE 5 8.170 -5.498 -10.055 43 HG22 ILE 5 2HG2 ILE 5 8.608 -6.900 -9.080 44 HG23 ILE 5 3HG2 ILE 5 7.425 -5.741 -8.475 45 HD11 ILE 5 3HD1 ILE 5 9.776 -1.613 -8.424 46 HD12 ILE 5 1HD1 ILE 5 11.013 -2.868 -8.475 47 HD13 ILE 5 2HD1 ILE 5 9.952 -2.618 -9.862 48 H HIS 6 H HIS 6 12.200 -5.140 -7.785 49 HA HIS 6 HA HIS 6 12.845 -3.616 -5.361 50 HB2 HIS 6 2HB HIS 6 15.225 -3.847 -6.224 51 HB3 HIS 6 3HB HIS 6 14.438 -5.338 -5.716 52 HD1 HIS 6 HD1 HIS 6 13.697 -6.986 -7.626 53 HD2 HIS 6 HD2 HIS 6 15.966 -3.741 -8.885 54 HE1 HIS 6 HE1 HIS 6 14.460 -7.561 -9.952 55 H CYS 7 H CYS 7 12.135 -1.572 -5.711 56 HA CYS 7 HA CYS 7 11.909 -0.135 -8.003 57 HB2 CYS 7 2HB CYS 7 12.520 1.903 -6.507 58 HB3 CYS 7 3HB CYS 7 11.102 0.943 -6.104 59 HG CYS 7 HG CYS 7 11.923 1.094 -3.638 60 H ALA 8 H ALA 8 13.363 -0.073 -9.601 61 HA ALA 8 HA ALA 8 16.186 -0.066 -9.150 62 HB1 ALA 8 1HB ALA 8 15.606 0.767 -11.798 63 HB2 ALA 8 2HB ALA 8 16.170 -0.809 -11.239 64 HB3 ALA 8 3HB ALA 8 14.441 -0.480 -11.352 65 H LYS 9 H LYS 9 13.838 2.341 -9.067 66 HA LYS 9 HA LYS 9 15.425 4.506 -10.086 67 HB2 LYS 9 2HB LYS 9 12.872 4.385 -9.999 68 HB3 LYS 9 3HB LYS 9 13.020 4.758 -8.287 69 HG2 LYS 9 2HG LYS 9 12.618 6.816 -9.296 70 HG3 LYS 9 3HG LYS 9 14.363 6.800 -9.030 71 HD2 LYS 9 2HD LYS 9 13.671 5.647 -11.591 72 HD3 LYS 9 3HD LYS 9 13.038 7.287 -11.430 73 HE2 LYS 9 2HE LYS 9 15.878 6.612 -10.730 74 HE3 LYS 9 3HE LYS 9 15.400 6.998 -12.382 75 HZ1 LYS 9 3HZ LYS 9 16.160 8.814 -10.572 76 HZ2 LYS 9 1HZ LYS 9 14.480 8.867 -10.375 77 HZ3 LYS 9 2HZ LYS 9 15.163 9.159 -11.895 78 H LEU 10 H LEU 10 15.421 2.752 -7.217 79 HA LEU 10 HA LEU 10 17.037 4.826 -5.913 80 HB2 LEU 10 2HB LEU 10 15.422 3.126 -4.130 81 HB3 LEU 10 3HB LEU 10 15.870 4.824 -3.980 82 HG LEU 10 HG LEU 10 13.711 3.814 -5.825 83 HD11 LEU 10 1HD1 LEU 10 12.114 4.199 -4.218 84 HD12 LEU 10 2HD1 LEU 10 13.159 5.264 -3.278 85 HD13 LEU 10 3HD1 LEU 10 13.422 3.521 -3.247 86 HD21 LEU 10 3HD2 LEU 10 15.059 6.290 -5.603 87 HD22 LEU 10 1HD2 LEU 10 13.426 6.518 -4.977 88 HD23 LEU 10 2HD2 LEU 10 13.665 5.889 -6.607 89 H GLY 11 H GLY 11 16.004 1.419 -5.668 90 HA2 GLY 11 2HA GLY 11 17.818 -0.242 -6.052 91 HA3 GLY 11 3HA GLY 11 18.802 0.751 -4.987 92 H LYS 12 H LYS 12 15.454 0.311 -4.242 93 HA LYS 12 HA LYS 12 16.191 -1.605 -2.127 94 HB2 LYS 12 2HB LYS 12 13.849 -0.018 -1.491 95 HB3 LYS 12 3HB LYS 12 15.309 -0.287 -0.547 96 HG2 LYS 12 2HG LYS 12 15.143 1.694 -2.803 97 HG3 LYS 12 3HG LYS 12 14.813 2.102 -1.118 98 HD2 LYS 12 2HD LYS 12 17.200 0.843 -0.879 99 HD3 LYS 12 3HD LYS 12 17.371 1.574 -2.476 100 HE2 LYS 12 2HE LYS 12 18.092 3.335 -1.247 101 HE3 LYS 12 3HE LYS 12 16.364 3.668 -1.154 102 HZ1 LYS 12 3HZ LYS 12 17.196 1.872 0.893 103 HZ2 LYS 12 1HZ LYS 12 16.385 3.350 1.028 104 HZ3 LYS 12 2HZ LYS 12 18.074 3.316 0.957 105 H GLU 13 H GLU 13 13.661 -2.111 -1.141 106 HA GLU 13 HA GLU 13 12.439 -3.518 -3.415 107 HB2 GLU 13 2HB GLU 13 12.808 -4.180 -0.544 108 HB3 GLU 13 3HB GLU 13 11.325 -4.739 -1.304 109 HG2 GLU 13 2HG GLU 13 12.449 -6.122 -2.783 110 HG3 GLU 13 3HG GLU 13 13.972 -5.256 -2.589 111 H ALA 14 H ALA 14 10.701 -2.535 -4.196 112 HA ALA 14 HA ALA 14 8.754 -1.411 -2.296 113 HB1 ALA 14 1HB ALA 14 9.814 -0.155 -4.810 114 HB2 ALA 14 2HB ALA 14 8.272 0.323 -4.098 115 HB3 ALA 14 3HB ALA 14 9.765 0.514 -3.179 116 H GLU 15 H GLU 15 6.696 -0.780 -3.828 117 HA GLU 15 HA GLU 15 5.660 -3.318 -4.630 118 HB2 GLU 15 2HB GLU 15 4.550 -0.518 -4.708 119 HB3 GLU 15 3HB GLU 15 3.657 -1.897 -5.332 120 HG2 GLU 15 2HG GLU 15 4.609 -1.525 -2.502 121 HG3 GLU 15 3HG GLU 15 2.952 -1.364 -3.081 122 H GLY 16 H GLY 16 4.703 -3.783 -6.727 123 HA2 GLY 16 2HA GLY 16 6.322 -2.618 -8.899 124 HA3 GLY 16 3HA GLY 16 5.637 -4.236 -8.910 125 H LEU 17 H LEU 17 5.399 -1.946 -10.810 126 HA LEU 17 HA LEU 17 2.948 -0.689 -10.750 127 HB2 LEU 17 2HB LEU 17 5.005 -0.990 -12.581 128 HB3 LEU 17 3HB LEU 17 3.595 -1.643 -13.413 129 HG LEU 17 HG LEU 17 2.436 0.551 -12.834 130 HD11 LEU 17 1HD1 LEU 17 4.641 0.982 -11.287 131 HD12 LEU 17 2HD1 LEU 17 3.526 2.231 -11.838 132 HD13 LEU 17 3HD1 LEU 17 5.015 1.924 -12.731 133 HD21 LEU 17 3HD2 LEU 17 4.238 -0.162 -14.926 134 HD22 LEU 17 1HD2 LEU 17 4.398 1.564 -14.596 135 HD23 LEU 17 2HD2 LEU 17 2.819 0.885 -14.993 136 H ASP 18 H ASP 18 3.713 -3.981 -11.721 137 HA ASP 18 HA ASP 18 2.414 -5.782 -12.220 138 HB2 ASP 18 2HB ASP 18 1.606 -5.211 -9.895 139 HB3 ASP 18 3HB ASP 18 0.258 -4.364 -10.649 140 H PHE 19 H PHE 19 2.325 -3.382 -13.967 141 HA PHE 19 HA PHE 19 -0.058 -4.155 -15.477 142 HB2 PHE 19 2HB PHE 19 0.545 -1.445 -14.403 143 HB3 PHE 19 3HB PHE 19 -0.139 -1.544 -16.022 144 HD1 PHE 19 HD2 PHE 19 -2.278 -2.995 -16.267 145 HD2 PHE 19 HD1 PHE 19 -0.851 -1.443 -12.569 146 HE1 PHE 19 HE2 PHE 19 -4.527 -3.240 -15.300 147 HE2 PHE 19 HE1 PHE 19 -3.098 -1.687 -11.596 148 HZ PHE 19 HZ PHE 19 -4.940 -2.585 -12.962 149 HA PRO 20 HA PRO 20 3.701 -4.035 -18.134 150 HB2 PRO 20 2HB PRO 20 3.015 -6.237 -19.567 151 HB3 PRO 20 3HB PRO 20 3.866 -6.324 -18.021 152 HG2 PRO 20 2HG PRO 20 0.953 -6.695 -18.602 153 HG3 PRO 20 3HG PRO 20 2.011 -7.639 -17.536 154 HD2 PRO 20 2HD PRO 20 0.309 -5.751 -16.601 155 HD3 PRO 20 3HD PRO 20 1.866 -6.102 -15.824 156 HA PRO 21 HA PRO 21 1.095 -1.843 -21.097 157 HB2 PRO 21 2HB PRO 21 3.144 -0.453 -22.210 158 HB3 PRO 21 3HB PRO 21 2.384 0.013 -20.684 159 HG2 PRO 21 2HG PRO 21 4.931 -1.490 -21.151 160 HG3 PRO 21 3HG PRO 21 4.595 -0.192 -19.991 161 HD2 PRO 21 2HD PRO 21 4.641 -2.805 -19.281 162 HD3 PRO 21 3HD PRO 21 3.576 -1.621 -18.496 163 H LEU 22 H LEU 22 3.593 -4.116 -21.528 164 HA LEU 22 HA LEU 22 3.021 -4.274 -24.414 165 HB2 LEU 22 2HB LEU 22 5.512 -4.733 -22.841 166 HB3 LEU 22 3HB LEU 22 5.259 -5.640 -24.331 167 HG LEU 22 HG LEU 22 6.659 -3.658 -24.675 168 HD11 LEU 22 1HD1 LEU 22 3.947 -3.533 -25.985 169 HD12 LEU 22 2HD1 LEU 22 5.339 -4.468 -26.529 170 HD13 LEU 22 3HD1 LEU 22 5.394 -2.706 -26.562 171 HD21 LEU 22 3HD2 LEU 22 5.836 -1.444 -24.391 172 HD22 LEU 22 1HD2 LEU 22 5.549 -2.302 -22.877 173 HD23 LEU 22 2HD2 LEU 22 4.217 -2.028 -24.001 174 HA PRO 23 HA PRO 23 1.490 -8.363 -23.989 175 HB2 PRO 23 2HB PRO 23 2.605 -9.668 -26.092 176 HB3 PRO 23 3HB PRO 23 1.328 -8.460 -26.279 177 HG2 PRO 23 2HG PRO 23 4.286 -8.160 -26.631 178 HG3 PRO 23 3HG PRO 23 2.969 -7.528 -27.638 179 HD2 PRO 23 2HD PRO 23 4.285 -5.999 -25.832 180 HD3 PRO 23 3HD PRO 23 2.571 -5.753 -26.223 181 H GLY 24 H GLY 24 4.740 -7.712 -23.505 182 HA2 GLY 24 2HA GLY 24 5.646 -9.161 -21.647 183 HA3 GLY 24 3HA GLY 24 5.292 -10.506 -22.721 184 H GLU 25 H GLU 25 6.422 -7.604 -24.177 185 HA GLU 25 HA GLU 25 8.944 -8.943 -24.819 186 HB2 GLU 25 2HB GLU 25 8.947 -6.669 -26.320 187 HB3 GLU 25 3HB GLU 25 8.300 -8.215 -26.851 188 HG2 GLU 25 2HG GLU 25 6.071 -7.530 -26.094 189 HG3 GLU 25 3HG GLU 25 6.730 -5.969 -25.607 190 H LEU 26 H LEU 26 8.190 -5.487 -24.507 191 HA LEU 26 HA LEU 26 10.681 -5.141 -23.012 192 HB2 LEU 26 2HB LEU 26 10.749 -3.570 -24.650 193 HB3 LEU 26 3HB LEU 26 8.995 -3.425 -24.733 194 HG LEU 26 HG LEU 26 9.026 -2.051 -22.696 195 HD11 LEU 26 1HD1 LEU 26 11.207 -3.127 -21.888 196 HD12 LEU 26 2HD1 LEU 26 10.977 -1.403 -21.597 197 HD13 LEU 26 3HD1 LEU 26 12.014 -1.944 -22.918 198 HD21 LEU 26 3HD2 LEU 26 9.352 -1.170 -25.104 199 HD22 LEU 26 1HD2 LEU 26 11.009 -0.854 -24.591 200 HD23 LEU 26 2HD2 LEU 26 9.664 -0.085 -23.749 201 H GLY 27 H GLY 27 7.271 -4.110 -22.853 202 HA2 GLY 27 2HA GLY 27 7.258 -2.801 -20.442 203 HA3 GLY 27 3HA GLY 27 5.909 -3.762 -21.031 204 H LYS 28 H LYS 28 7.282 -6.283 -20.979 205 HA LYS 28 HA LYS 28 6.647 -7.194 -18.449 206 HB2 LYS 28 2HB LYS 28 6.875 -8.799 -20.172 207 HB3 LYS 28 3HB LYS 28 8.511 -8.278 -20.551 208 HG2 LYS 28 2HG LYS 28 9.429 -9.398 -18.763 209 HG3 LYS 28 3HG LYS 28 7.916 -9.402 -17.853 210 HD2 LYS 28 2HD LYS 28 7.781 -10.841 -20.399 211 HD3 LYS 28 3HD LYS 28 8.929 -11.527 -19.247 212 HE2 LYS 28 2HE LYS 28 6.041 -10.894 -18.648 213 HE3 LYS 28 3HE LYS 28 6.660 -12.494 -19.054 214 HZ1 LYS 28 3HZ LYS 28 8.271 -11.731 -17.029 215 HZ2 LYS 28 1HZ LYS 28 6.905 -12.715 -16.861 216 HZ3 LYS 28 2HZ LYS 28 6.792 -11.053 -16.566 217 H ARG 29 H ARG 29 9.570 -5.684 -19.578 218 HA ARG 29 HA ARG 29 11.003 -6.347 -17.125 219 HB2 ARG 29 2HB ARG 29 12.012 -4.597 -19.360 220 HB3 ARG 29 3HB ARG 29 12.947 -5.494 -18.171 221 HG2 ARG 29 2HG ARG 29 12.253 -7.595 -19.199 222 HG3 ARG 29 3HG ARG 29 11.302 -6.700 -20.386 223 HD2 ARG 29 2HD ARG 29 13.383 -5.579 -21.133 224 HD3 ARG 29 3HD ARG 29 14.293 -6.598 -20.018 225 HE ARG 29 HE ARG 29 12.692 -8.162 -21.766 226 HH11 ARG 29 1HH1 ARG 29 15.635 -6.309 -21.617 227 HH12 ARG 29 2HH1 ARG 29 16.418 -7.207 -22.874 228 HH21 ARG 29 1HH2 ARG 29 13.712 -9.352 -23.423 229 HH22 ARG 29 2HH2 ARG 29 15.324 -8.938 -23.901 230 H LEU 30 H LEU 30 9.118 -3.823 -18.467 231 HA LEU 30 HA LEU 30 10.237 -1.694 -16.895 232 HB2 LEU 30 2HB LEU 30 7.824 -1.985 -18.642 233 HB3 LEU 30 3HB LEU 30 8.028 -0.564 -17.621 234 HG LEU 30 HG LEU 30 9.917 -1.451 -19.801 235 HD11 LEU 30 1HD1 LEU 30 8.512 -0.430 -21.182 236 HD12 LEU 30 2HD1 LEU 30 8.877 1.078 -20.344 237 HD13 LEU 30 3HD1 LEU 30 7.494 0.105 -19.844 238 HD21 LEU 30 3HD2 LEU 30 9.991 0.751 -17.780 239 HD22 LEU 30 1HD2 LEU 30 10.732 0.977 -19.364 240 HD23 LEU 30 2HD2 LEU 30 11.281 -0.328 -18.313 241 H TYR 31 H TYR 31 7.084 -3.365 -16.849 242 HA TYR 31 HA TYR 31 6.175 -2.242 -14.452 243 HB2 TYR 31 2HB TYR 31 4.366 -3.626 -14.670 244 HB3 TYR 31 3HB TYR 31 5.005 -3.758 -16.305 245 HD1 TYR 31 HD1 TYR 31 6.118 -5.796 -17.046 246 HD2 TYR 31 HD2 TYR 31 4.518 -5.479 -13.116 247 HE1 TYR 31 HE1 TYR 31 6.291 -8.235 -16.786 248 HE2 TYR 31 HE2 TYR 31 4.689 -7.917 -12.844 249 HH TYR 31 HH TYR 31 6.315 -9.795 -14.048 250 H GLU 32 H GLU 32 8.546 -4.635 -15.030 251 HA GLU 32 HA GLU 32 8.406 -5.624 -12.274 252 HB2 GLU 32 2HB GLU 32 9.602 -7.492 -12.949 253 HB3 GLU 32 3HB GLU 32 8.651 -7.130 -14.383 254 HG2 GLU 32 2HG GLU 32 10.606 -7.327 -15.444 255 HG3 GLU 32 3HG GLU 32 10.873 -5.679 -14.881 256 H SER 33 H SER 33 9.758 -3.113 -13.826 257 HA SER 33 HA SER 33 12.209 -3.185 -12.190 258 HB2 SER 33 2HB SER 33 11.666 -1.981 -14.894 259 HB3 SER 33 3HB SER 33 12.994 -1.399 -13.891 260 HG SER 33 HG SER 33 12.694 -4.151 -14.397 261 H VAL 34 H VAL 34 9.558 -1.167 -13.363 262 HA VAL 34 HA VAL 34 10.305 1.100 -11.766 263 HB VAL 34 HB VAL 34 8.068 1.995 -12.426 264 HG11 VAL 34 1HG1 VAL 34 8.608 2.043 -14.910 265 HG12 VAL 34 2HG1 VAL 34 9.872 2.603 -13.812 266 HG13 VAL 34 3HG1 VAL 34 9.971 0.992 -14.525 267 HG21 VAL 34 3HG2 VAL 34 6.470 0.603 -13.092 268 HG22 VAL 34 1HG2 VAL 34 7.433 0.196 -14.513 269 HG23 VAL 34 2HG2 VAL 34 7.598 -0.752 -13.035 270 H SER 35 H SER 35 8.942 2.019 -10.084 271 HA SER 35 HA SER 35 7.381 0.015 -8.599 272 HB2 SER 35 2HB SER 35 9.363 0.022 -7.353 273 HB3 SER 35 3HB SER 35 9.628 1.747 -7.604 274 HG SER 35 HG SER 35 7.641 0.543 -5.973 275 H LYS 36 H LYS 36 6.003 1.039 -6.886 276 HA LYS 36 HA LYS 36 4.306 2.957 -8.008 277 HB2 LYS 36 2HB LYS 36 3.948 1.246 -6.051 278 HB3 LYS 36 3HB LYS 36 4.463 2.590 -5.040 279 HG2 LYS 36 2HG LYS 36 2.639 3.936 -5.761 280 HG3 LYS 36 3HG LYS 36 2.202 2.772 -7.015 281 HD2 LYS 36 2HD LYS 36 2.278 1.844 -4.187 282 HD3 LYS 36 3HD LYS 36 0.928 2.859 -4.700 283 HE2 LYS 36 2HE LYS 36 1.784 0.360 -6.147 284 HE3 LYS 36 3HE LYS 36 0.544 0.384 -4.894 285 HZ1 LYS 36 3HZ LYS 36 0.243 0.937 -7.605 286 HZ2 LYS 36 1HZ LYS 36 -0.014 2.392 -6.781 287 HZ3 LYS 36 2HZ LYS 36 -0.932 1.026 -6.392 288 H GLN 37 H GLN 37 7.247 3.316 -6.281 289 HA GLN 37 HA GLN 37 6.735 6.044 -5.464 290 HB2 GLN 37 2HB GLN 37 8.121 4.703 -4.021 291 HB3 GLN 37 3HB GLN 37 9.209 4.317 -5.348 292 HG2 GLN 37 2HG GLN 37 10.244 5.954 -3.952 293 HG3 GLN 37 3HG GLN 37 9.820 6.707 -5.488 294 HE21 GLN 37 1HE2 GLN 37 10.277 8.497 -3.743 295 HE22 GLN 37 2HE2 GLN 37 8.853 9.156 -3.019 296 H ALA 38 H ALA 38 8.861 4.396 -7.790 297 HA ALA 38 HA ALA 38 9.908 6.790 -8.902 298 HB1 ALA 38 1HB ALA 38 9.791 4.139 -10.311 299 HB2 ALA 38 2HB ALA 38 10.988 5.423 -10.484 300 HB3 ALA 38 3HB ALA 38 10.929 4.467 -9.004 301 H TRP 39 H TRP 39 6.986 5.036 -9.375 302 HA TRP 39 HA TRP 39 6.302 5.599 -11.988 303 HB2 TRP 39 2HB TRP 39 4.893 4.186 -10.647 304 HB3 TRP 39 3HB TRP 39 4.560 5.499 -9.521 305 HD1 TRP 39 HD1 TRP 39 2.408 6.834 -9.953 306 HE1 TRP 39 HE1 TRP 39 0.724 7.019 -11.890 307 HE3 TRP 39 HE3 TRP 39 4.872 4.023 -13.441 308 HZ2 TRP 39 HZ2 TRP 39 0.473 6.095 -14.546 309 HZ3 TRP 39 HZ3 TRP 39 3.842 3.722 -15.655 310 HH2 TRP 39 HH2 TRP 39 1.687 4.737 -16.194 311 H GLN 40 H GLN 40 6.390 7.733 -9.230 312 HA GLN 40 HA GLN 40 4.832 9.831 -10.315 313 HB2 GLN 40 2HB GLN 40 6.894 9.691 -8.132 314 HB3 GLN 40 3HB GLN 40 6.180 11.225 -8.611 315 HG2 GLN 40 2HG GLN 40 4.563 8.844 -7.745 316 HG3 GLN 40 3HG GLN 40 5.115 10.105 -6.644 317 HE21 GLN 40 1HE2 GLN 40 2.605 9.095 -8.521 318 HE22 GLN 40 2HE2 GLN 40 1.758 10.591 -8.696 319 H ASP 41 H ASP 41 8.333 9.249 -10.236 320 HA ASP 41 HA ASP 41 9.144 11.604 -11.500 321 HB2 ASP 41 2HB ASP 41 10.540 9.720 -10.365 322 HB3 ASP 41 3HB ASP 41 10.563 9.001 -11.973 323 H TRP 42 H TRP 42 7.789 8.666 -12.792 324 HA TRP 42 HA TRP 42 8.544 9.060 -15.496 325 HB2 TRP 42 2HB TRP 42 7.873 6.866 -14.815 326 HB3 TRP 42 3HB TRP 42 6.324 7.458 -14.221 327 HD1 TRP 42 HD1 TRP 42 4.363 7.087 -15.817 328 HE1 TRP 42 HE1 TRP 42 4.090 6.649 -18.339 329 HE3 TRP 42 HE3 TRP 42 9.252 7.512 -17.248 330 HZ2 TRP 42 HZ2 TRP 42 5.731 6.504 -20.631 331 HZ3 TRP 42 HZ3 TRP 42 9.816 7.209 -19.623 332 HH2 TRP 42 HH2 TRP 42 8.091 6.715 -21.278 333 H LEU 43 H LEU 43 5.613 9.870 -13.668 334 HA LEU 43 HA LEU 43 4.160 10.937 -15.830 335 HB2 LEU 43 2HB LEU 43 3.947 11.782 -12.949 336 HB3 LEU 43 3HB LEU 43 2.703 11.893 -14.192 337 HG LEU 43 HG LEU 43 3.747 9.200 -13.461 338 HD11 LEU 43 1HD1 LEU 43 1.443 10.046 -11.883 339 HD12 LEU 43 2HD1 LEU 43 2.939 10.875 -11.452 340 HD13 LEU 43 3HD1 LEU 43 2.864 9.113 -11.411 341 HD21 LEU 43 3HD2 LEU 43 1.268 10.402 -14.594 342 HD22 LEU 43 1HD2 LEU 43 1.157 8.866 -13.735 343 HD23 LEU 43 2HD2 LEU 43 2.205 9.013 -15.146 344 H LYS 44 H LYS 44 6.776 12.183 -13.978 345 HA LYS 44 HA LYS 44 6.285 14.956 -14.465 346 HB2 LYS 44 2HB LYS 44 7.638 14.444 -12.587 347 HB3 LYS 44 3HB LYS 44 8.695 13.406 -13.535 348 HG2 LYS 44 2HG LYS 44 9.801 15.490 -12.999 349 HG3 LYS 44 3HG LYS 44 9.534 15.364 -14.739 350 HD2 LYS 44 2HD LYS 44 8.970 17.586 -14.122 351 HD3 LYS 44 3HD LYS 44 7.447 16.738 -14.405 352 HE2 LYS 44 2HE LYS 44 7.174 18.008 -12.417 353 HE3 LYS 44 3HE LYS 44 7.339 16.322 -11.929 354 HZ1 LYS 44 3HZ LYS 44 9.583 18.265 -11.935 355 HZ2 LYS 44 1HZ LYS 44 9.585 16.702 -11.286 356 HZ3 LYS 44 2HZ LYS 44 8.646 17.913 -10.571 357 H GLN 45 H GLN 45 8.399 12.513 -15.936 358 HA GLN 45 HA GLN 45 9.405 14.337 -17.913 359 HB2 GLN 45 2HB GLN 45 10.644 12.490 -18.765 360 HB3 GLN 45 3HB GLN 45 10.666 12.352 -17.012 361 HG2 GLN 45 2HG GLN 45 8.965 10.643 -17.085 362 HG3 GLN 45 3HG GLN 45 8.813 10.831 -18.831 363 HE21 GLN 45 1HE2 GLN 45 10.248 9.841 -20.159 364 HE22 GLN 45 2HE2 GLN 45 11.499 8.784 -19.611 365 H GLN 46 H GLN 46 6.862 11.935 -17.733 366 HA GLN 46 HA GLN 46 6.298 11.526 -20.406 367 HB2 GLN 46 2HB GLN 46 5.015 11.033 -17.925 368 HB3 GLN 46 3HB GLN 46 3.828 11.785 -18.983 369 HG2 GLN 46 2HG GLN 46 5.152 9.861 -20.536 370 HG3 GLN 46 3HG GLN 46 4.818 9.102 -18.981 371 HE21 GLN 46 1HE2 GLN 46 3.238 7.742 -19.695 372 HE22 GLN 46 2HE2 GLN 46 1.699 8.282 -20.264 373 H THR 47 H THR 47 5.088 14.108 -18.286 374 HA THR 47 HA THR 47 3.543 15.381 -20.302 375 HB THR 47 HB THR 47 4.626 16.495 -17.707 376 HG1 THR 47 HG1 THR 47 2.174 15.256 -18.441 377 HG21 THR 47 3HG2 THR 47 2.838 18.192 -17.967 378 HG22 THR 47 1HG2 THR 47 2.521 17.571 -19.586 379 HG23 THR 47 2HG2 THR 47 4.079 18.308 -19.215 380 H MET 48 H MET 48 6.747 16.067 -18.920 381 HA MET 48 HA MET 48 7.333 18.372 -20.353 382 HB2 MET 48 2HB MET 48 9.009 16.215 -19.131 383 HB3 MET 48 3HB MET 48 9.780 17.449 -20.118 384 HG2 MET 48 2HG MET 48 8.775 19.176 -18.653 385 HG3 MET 48 3HG MET 48 8.157 17.885 -17.625 386 HE1 MET 48 3HE MET 48 11.670 18.736 -19.406 387 HE2 MET 48 1HE MET 48 11.009 20.146 -18.576 388 HE3 MET 48 2HE MET 48 12.470 19.369 -17.966 389 H LEU 49 H LEU 49 7.770 14.981 -21.255 390 HA LEU 49 HA LEU 49 9.110 15.506 -23.702 391 HB2 LEU 49 2HB LEU 49 7.848 13.163 -22.403 392 HB3 LEU 49 3HB LEU 49 8.053 13.093 -24.152 393 HG LEU 49 HG LEU 49 9.871 12.050 -22.685 394 HD11 LEU 49 1HD1 LEU 49 9.928 13.329 -25.169 395 HD12 LEU 49 2HD1 LEU 49 11.064 12.129 -24.553 396 HD13 LEU 49 3HD1 LEU 49 11.392 13.848 -24.333 397 HD21 LEU 49 3HD2 LEU 49 11.362 13.366 -21.544 398 HD22 LEU 49 1HD2 LEU 49 9.866 14.259 -21.270 399 HD23 LEU 49 2HD2 LEU 49 11.003 14.801 -22.505 400 H ILE 50 H ILE 50 5.742 14.592 -22.982 401 HA ILE 50 HA ILE 50 4.770 14.697 -25.594 402 HB ILE 50 HB ILE 50 3.311 15.298 -23.019 403 HG12 ILE 50 2HG1 ILE 50 3.099 12.758 -24.599 404 HG13 ILE 50 3HG1 ILE 50 4.458 12.992 -23.506 405 HG21 ILE 50 1HG2 ILE 50 1.295 14.612 -24.410 406 HG22 ILE 50 2HG2 ILE 50 1.975 16.207 -24.725 407 HG23 ILE 50 3HG2 ILE 50 2.320 14.871 -25.822 408 HD11 ILE 50 3HD1 ILE 50 3.200 12.329 -21.821 409 HD12 ILE 50 1HD1 ILE 50 2.104 13.682 -22.102 410 HD13 ILE 50 2HD1 ILE 50 1.825 12.138 -22.909 411 H ASN 51 H ASN 51 5.232 17.248 -23.218 412 HA ASN 51 HA ASN 51 3.888 19.249 -24.781 413 HB2 ASN 51 2HB ASN 51 5.557 19.305 -22.279 414 HB3 ASN 51 3HB ASN 51 5.075 20.798 -23.079 415 HD21 ASN 51 1HD2 ASN 51 3.381 17.734 -22.535 416 HD22 ASN 51 2HD2 ASN 51 2.034 18.429 -21.704 417 H GLU 52 H GLU 52 7.222 18.247 -24.242 418 HA GLU 52 HA GLU 52 8.430 20.407 -25.627 419 HB2 GLU 52 2HB GLU 52 9.660 19.001 -24.030 420 HB3 GLU 52 3HB GLU 52 9.487 17.623 -25.107 421 HG2 GLU 52 2HG GLU 52 10.726 19.006 -26.835 422 HG3 GLU 52 3HG GLU 52 11.117 20.107 -25.515 423 H ASN 53 H ASN 53 8.182 16.987 -26.620 424 HA ASN 53 HA ASN 53 8.774 17.558 -29.339 425 HB2 ASN 53 2HB ASN 53 7.549 15.100 -28.068 426 HB3 ASN 53 3HB ASN 53 8.116 15.192 -29.733 427 HD21 ASN 53 1HD2 ASN 53 9.065 15.212 -26.376 428 HD22 ASN 53 2HD2 ASN 53 10.730 14.833 -26.643 429 H ARG 54 H ARG 54 5.935 17.809 -27.488 430 HA ARG 54 HA ARG 54 3.793 18.381 -27.995 431 HB2 ARG 54 2HB ARG 54 5.149 19.936 -29.578 432 HB3 ARG 54 3HB ARG 54 4.600 18.851 -30.848 433 HG2 ARG 54 2HG ARG 54 3.095 20.674 -30.789 434 HG3 ARG 54 3HG ARG 54 2.255 19.293 -30.081 435 HD2 ARG 54 2HD ARG 54 2.602 20.123 -27.871 436 HD3 ARG 54 3HD ARG 54 3.689 21.383 -28.455 437 HE ARG 54 HE ARG 54 1.181 21.692 -29.680 438 HH11 ARG 54 1HH1 ARG 54 2.704 22.013 -26.567 439 HH12 ARG 54 2HH1 ARG 54 1.620 23.247 -26.018 440 HH21 ARG 54 1HH2 ARG 54 -0.254 23.317 -28.969 441 HH22 ARG 54 2HH2 ARG 54 -0.063 23.988 -27.385 442 H LEU 55 H LEU 55 4.210 15.728 -27.943 443 HA LEU 55 HA LEU 55 3.302 14.453 -30.359 444 HB2 LEU 55 2HB LEU 55 3.461 13.255 -27.604 445 HB3 LEU 55 3HB LEU 55 3.452 12.405 -29.148 446 HG LEU 55 HG LEU 55 5.686 14.161 -28.131 447 HD11 LEU 55 1HD1 LEU 55 5.098 11.280 -27.883 448 HD12 LEU 55 2HD1 LEU 55 6.044 12.343 -26.842 449 HD13 LEU 55 3HD1 LEU 55 6.750 11.708 -28.328 450 HD21 LEU 55 3HD2 LEU 55 5.638 12.328 -30.522 451 HD22 LEU 55 1HD2 LEU 55 6.926 13.430 -30.035 452 HD23 LEU 55 2HD2 LEU 55 5.388 14.072 -30.611 453 H ASN 56 H ASN 56 1.389 12.979 -30.312 454 HA ASN 56 HA ASN 56 -0.859 14.339 -28.991 455 HB2 ASN 56 2HB ASN 56 -0.804 14.208 -31.518 456 HB3 ASN 56 3HB ASN 56 -1.012 12.467 -31.357 457 HD21 ASN 56 1HD2 ASN 56 -2.446 15.315 -29.795 458 HD22 ASN 56 2HD2 ASN 56 -4.086 14.851 -30.074 459 H MET 57 H MET 57 -0.855 13.274 -27.025 460 HA MET 57 HA MET 57 -0.505 10.581 -26.536 461 HB2 MET 57 2HB MET 57 -2.413 12.432 -25.095 462 HB3 MET 57 3HB MET 57 -1.758 10.927 -24.465 463 HG2 MET 57 2HG MET 57 0.440 11.832 -24.370 464 HG3 MET 57 3HG MET 57 -0.058 13.276 -25.248 465 HE1 MET 57 3HE MET 57 -1.814 14.774 -24.548 466 HE2 MET 57 1HE MET 57 -2.188 15.239 -22.888 467 HE3 MET 57 2HE MET 57 -0.618 15.641 -23.584 468 H ALA 58 H ALA 58 -3.297 12.245 -27.805 469 HA ALA 58 HA ALA 58 -5.317 10.411 -27.366 470 HB1 ALA 58 1HB ALA 58 -4.802 12.542 -29.314 471 HB2 ALA 58 2HB ALA 58 -5.928 11.298 -29.860 472 HB3 ALA 58 3HB ALA 58 -6.250 12.187 -28.372 473 H ASP 59 H ASP 59 -2.632 10.243 -29.577 474 HA ASP 59 HA ASP 59 -3.702 7.732 -30.683 475 HB2 ASP 59 2HB ASP 59 -2.128 9.939 -31.841 476 HB3 ASP 59 3HB ASP 59 -1.575 8.326 -32.282 477 HA PRO 60 HA PRO 60 -0.532 5.345 -28.819 478 HB2 PRO 60 2HB PRO 60 0.102 3.576 -30.778 479 HB3 PRO 60 3HB PRO 60 -1.419 3.510 -29.880 480 HG2 PRO 60 2HG PRO 60 -0.869 4.650 -32.593 481 HG3 PRO 60 3HG PRO 60 -2.236 3.660 -32.052 482 HD2 PRO 60 2HD PRO 60 -2.403 6.348 -32.324 483 HD3 PRO 60 3HD PRO 60 -3.321 5.454 -31.095 484 H ARG 61 H ARG 61 0.141 7.265 -31.542 485 HA ARG 61 HA ARG 61 2.818 6.599 -32.068 486 HB2 ARG 61 2HB ARG 61 1.300 9.187 -32.396 487 HB3 ARG 61 3HB ARG 61 2.953 8.966 -32.952 488 HG2 ARG 61 2HG ARG 61 0.572 7.363 -33.863 489 HG3 ARG 61 3HG ARG 61 1.335 8.680 -34.757 490 HD2 ARG 61 2HD ARG 61 3.477 7.340 -34.642 491 HD3 ARG 61 3HD ARG 61 2.499 5.996 -34.053 492 HE ARG 61 HE ARG 61 1.756 5.657 -36.186 493 HH11 ARG 61 1HH1 ARG 61 3.135 8.846 -35.965 494 HH12 ARG 61 2HH1 ARG 61 3.024 9.153 -37.667 495 HH21 ARG 61 1HH2 ARG 61 1.605 6.050 -38.428 496 HH22 ARG 61 2HH2 ARG 61 2.153 7.563 -39.066 497 H ALA 62 H ALA 62 1.362 8.809 -29.734 498 HA ALA 62 HA ALA 62 3.908 9.779 -28.795 499 HB1 ALA 62 1HB ALA 62 1.785 11.121 -28.790 500 HB2 ALA 62 2HB ALA 62 1.231 10.107 -27.457 501 HB3 ALA 62 3HB ALA 62 2.670 11.109 -27.265 502 H ARG 63 H ARG 63 1.859 7.113 -28.118 503 HA ARG 63 HA ARG 63 2.897 6.676 -25.448 504 HB2 ARG 63 2HB ARG 63 1.320 4.642 -26.985 505 HB3 ARG 63 3HB ARG 63 1.342 4.953 -25.254 506 HG2 ARG 63 2HG ARG 63 0.033 6.618 -27.390 507 HG3 ARG 63 3HG ARG 63 -0.757 5.676 -26.124 508 HD2 ARG 63 2HD ARG 63 0.874 8.186 -25.834 509 HD3 ARG 63 3HD ARG 63 -0.821 7.935 -25.419 510 HE ARG 63 HE ARG 63 1.471 7.281 -23.815 511 HH11 ARG 63 1HH1 ARG 63 -1.871 6.549 -24.460 512 HH12 ARG 63 2HH1 ARG 63 -2.170 5.906 -22.880 513 HH21 ARG 63 1HH2 ARG 63 1.089 6.437 -21.731 514 HH22 ARG 63 2HH2 ARG 63 -0.486 5.843 -21.328 515 H GLN 64 H GLN 64 3.473 5.567 -28.701 516 HA GLN 64 HA GLN 64 5.070 3.309 -27.931 517 HB2 GLN 64 2HB GLN 64 3.764 3.851 -30.183 518 HB3 GLN 64 3HB GLN 64 5.320 4.534 -30.635 519 HG2 GLN 64 2HG GLN 64 5.123 1.760 -29.535 520 HG3 GLN 64 3HG GLN 64 4.811 2.090 -31.238 521 HE21 GLN 64 1HE2 GLN 64 6.960 0.580 -29.856 522 HE22 GLN 64 2HE2 GLN 64 8.437 1.261 -30.440 523 H TYR 65 H TYR 65 5.611 6.679 -28.506 524 HA TYR 65 HA TYR 65 8.447 6.456 -28.905 525 HB2 TYR 65 2HB TYR 65 7.370 8.343 -29.895 526 HB3 TYR 65 3HB TYR 65 6.623 8.801 -28.369 527 HD1 TYR 65 HD1 TYR 65 9.821 8.656 -30.212 528 HD2 TYR 65 HD2 TYR 65 7.787 10.140 -26.782 529 HE1 TYR 65 HE1 TYR 65 11.718 10.148 -29.739 530 HE2 TYR 65 HE2 TYR 65 9.678 11.636 -26.300 531 HH TYR 65 HH TYR 65 11.727 12.666 -28.148 532 H LEU 66 H LEU 66 6.306 7.228 -26.207 533 HA LEU 66 HA LEU 66 8.194 8.065 -24.345 534 HB2 LEU 66 2HB LEU 66 5.509 6.795 -24.178 535 HB3 LEU 66 3HB LEU 66 6.478 6.897 -22.709 536 HG LEU 66 HG LEU 66 5.735 9.279 -24.401 537 HD11 LEU 66 1HD1 LEU 66 4.402 8.128 -21.960 538 HD12 LEU 66 2HD1 LEU 66 3.695 8.378 -23.556 539 HD13 LEU 66 3HD1 LEU 66 4.126 9.765 -22.555 540 HD21 LEU 66 3HD2 LEU 66 7.741 9.551 -23.025 541 HD22 LEU 66 1HD2 LEU 66 6.829 9.056 -21.599 542 HD23 LEU 66 2HD2 LEU 66 6.412 10.551 -22.437 543 H MET 67 H MET 67 7.364 4.852 -25.439 544 HA MET 67 HA MET 67 8.462 3.314 -23.397 545 HB2 MET 67 2HB MET 67 8.174 2.836 -26.354 546 HB3 MET 67 3HB MET 67 8.884 1.628 -25.293 547 HG2 MET 67 2HG MET 67 6.890 1.287 -24.143 548 HG3 MET 67 3HG MET 67 6.195 2.802 -24.713 549 HE1 MET 67 3HE MET 67 7.009 -0.677 -27.611 550 HE2 MET 67 1HE MET 67 8.208 0.202 -26.662 551 HE3 MET 67 2HE MET 67 7.143 -0.963 -25.875 552 H LYS 68 H LYS 68 10.003 5.153 -25.908 553 HA LYS 68 HA LYS 68 12.566 3.887 -25.671 554 HB2 LYS 68 2HB LYS 68 11.785 6.537 -26.900 555 HB3 LYS 68 3HB LYS 68 13.361 5.773 -27.062 556 HG2 LYS 68 2HG LYS 68 10.852 4.382 -27.929 557 HG3 LYS 68 3HG LYS 68 11.697 5.519 -28.982 558 HD2 LYS 68 2HD LYS 68 12.716 3.580 -29.628 559 HD3 LYS 68 3HD LYS 68 13.782 4.035 -28.297 560 HE2 LYS 68 2HE LYS 68 13.016 2.374 -26.937 561 HE3 LYS 68 3HE LYS 68 11.401 2.390 -27.644 562 HZ1 LYS 68 3HZ LYS 68 13.848 1.174 -28.801 563 HZ2 LYS 68 1HZ LYS 68 12.389 1.334 -29.643 564 HZ3 LYS 68 2HZ LYS 68 12.463 0.368 -28.257 565 H GLN 69 H GLN 69 10.881 6.367 -23.984 566 HA GLN 69 HA GLN 69 13.297 7.488 -22.819 567 HB2 GLN 69 2HB GLN 69 10.443 8.125 -22.081 568 HB3 GLN 69 3HB GLN 69 11.875 9.100 -21.776 569 HG2 GLN 69 2HG GLN 69 10.623 8.527 -24.451 570 HG3 GLN 69 3HG GLN 69 10.601 10.057 -23.576 571 HE21 GLN 69 1HE2 GLN 69 12.700 11.073 -23.174 572 HE22 GLN 69 2HE2 GLN 69 13.942 10.905 -24.363 573 H THR 70 H THR 70 10.976 5.065 -22.136 574 HA THR 70 HA THR 70 11.425 5.055 -19.278 575 HB THR 70 HB THR 70 10.197 2.659 -20.454 576 HG1 THR 70 HG1 THR 70 8.453 3.657 -21.323 577 HG21 THR 70 3HG2 THR 70 10.074 3.076 -18.085 578 HG22 THR 70 1HG2 THR 70 8.453 3.221 -18.763 579 HG23 THR 70 2HG2 THR 70 9.373 4.670 -18.358 580 H GLU 71 H GLU 71 12.182 2.910 -22.016 581 HA GLU 71 HA GLU 71 13.641 1.021 -20.519 582 HB2 GLU 71 2HB GLU 71 12.755 0.566 -22.769 583 HB3 GLU 71 3HB GLU 71 13.889 1.725 -23.448 584 HG2 GLU 71 2HG GLU 71 15.666 0.201 -22.269 585 HG3 GLU 71 3HG GLU 71 14.380 -1.001 -22.368 586 H LYS 72 H LYS 72 14.879 3.513 -22.754 587 HA LYS 72 HA LYS 72 17.568 3.258 -22.145 588 HB2 LYS 72 2HB LYS 72 16.030 4.927 -23.741 589 HB3 LYS 72 3HB LYS 72 16.795 6.031 -22.606 590 HG2 LYS 72 2HG LYS 72 18.150 5.829 -24.582 591 HG3 LYS 72 3HG LYS 72 18.990 5.097 -23.214 592 HD2 LYS 72 2HD LYS 72 17.608 2.970 -24.211 593 HD3 LYS 72 3HD LYS 72 17.974 3.876 -25.681 594 HE2 LYS 72 2HE LYS 72 20.113 3.261 -25.616 595 HE3 LYS 72 3HE LYS 72 20.267 3.756 -23.930 596 HZ1 LYS 72 3HZ LYS 72 18.998 1.547 -23.505 597 HZ2 LYS 72 1HZ LYS 72 20.664 1.517 -23.799 598 HZ3 LYS 72 2HZ LYS 72 19.579 1.122 -25.036 599 H TYR 73 H TYR 73 15.031 4.667 -20.285 600 HA TYR 73 HA TYR 73 16.317 6.516 -18.705 601 HB2 TYR 73 2HB TYR 73 13.838 5.406 -18.703 602 HB3 TYR 73 3HB TYR 73 14.513 4.691 -17.242 603 HD1 TYR 73 HD2 TYR 73 14.693 8.076 -18.830 604 HD2 TYR 73 HD1 TYR 73 13.820 5.795 -15.347 605 HE1 TYR 73 HE2 TYR 73 14.212 10.151 -17.599 606 HE2 TYR 73 HE1 TYR 73 13.335 7.862 -14.106 607 HH TYR 73 HH TYR 73 13.914 11.028 -15.515 608 H PHE 74 H PHE 74 15.697 3.206 -17.547 609 HA PHE 74 HA PHE 74 18.114 3.389 -15.909 610 HB2 PHE 74 2HB PHE 74 16.048 2.746 -14.763 611 HB3 PHE 74 3HB PHE 74 15.849 1.383 -15.859 612 HD1 PHE 74 HD1 PHE 74 18.573 2.758 -13.704 613 HD2 PHE 74 HD2 PHE 74 16.349 -0.651 -14.948 614 HE1 PHE 74 HE1 PHE 74 19.891 1.346 -12.179 615 HE2 PHE 74 HE2 PHE 74 17.662 -2.068 -13.424 616 HZ PHE 74 HZ PHE 74 19.435 -1.070 -12.037 617 H PHE 75 H PHE 75 16.569 1.256 -18.282 618 HA PHE 75 HA PHE 75 18.684 -0.631 -18.375 619 HB2 PHE 75 2HB PHE 75 16.649 -0.041 -20.532 620 HB3 PHE 75 3HB PHE 75 17.573 -1.526 -20.328 621 HD1 PHE 75 HD1 PHE 75 17.307 -1.884 -17.385 622 HD2 PHE 75 HD2 PHE 75 14.448 -0.785 -20.341 623 HE1 PHE 75 HE1 PHE 75 15.508 -2.811 -15.985 624 HE2 PHE 75 HE2 PHE 75 12.645 -1.710 -18.946 625 HZ PHE 75 HZ PHE 75 13.173 -2.724 -16.765 626 H GLY 76 H GLY 76 18.447 2.528 -19.518 627 HA2 GLY 76 2HA GLY 76 20.760 2.074 -21.295 628 HA3 GLY 76 3HA GLY 76 19.446 3.140 -21.771 629 H GLU 77 H GLU 77 20.306 5.124 -21.778 630 HA GLU 77 HA GLU 77 21.968 5.941 -19.499 631 HB2 GLU 77 2HB GLU 77 22.525 7.910 -21.005 632 HB3 GLU 77 3HB GLU 77 23.123 6.340 -21.521 633 HG2 GLU 77 2HG GLU 77 21.280 6.148 -23.104 634 HG3 GLU 77 3HG GLU 77 20.665 7.715 -22.582 635 H GLY 78 H GLY 78 19.084 6.782 -21.335 636 HA2 GLY 78 2HA GLY 78 17.336 8.195 -20.871 637 HA3 GLY 78 3HA GLY 78 17.728 7.912 -19.181 638 H ALA 79 H ALA 79 18.328 9.976 -21.958 639 HA ALA 79 HA ALA 79 20.114 11.797 -20.910 640 HB1 ALA 79 1HB ALA 79 19.768 12.821 -22.850 641 HB2 ALA 79 2HB ALA 79 18.509 11.632 -23.187 642 HB3 ALA 79 3HB ALA 79 18.090 13.170 -22.432 643 H ASP 80 H ASP 80 20.017 12.813 -19.021 644 HA ASP 80 HA ASP 80 17.644 13.257 -17.559 645 HB2 ASP 80 2HB ASP 80 20.034 13.097 -16.669 646 HB3 ASP 80 3HB ASP 80 20.218 14.777 -17.164 647 H GLN 81 H GLN 81 16.862 15.399 -16.832 648 HA GLN 81 HA GLN 81 16.235 17.030 -19.085 649 HB2 GLN 81 2HB GLN 81 14.998 18.413 -17.454 650 HB3 GLN 81 3HB GLN 81 14.603 16.705 -17.321 651 HG2 GLN 81 2HG GLN 81 14.838 17.196 -15.124 652 HG3 GLN 81 3HG GLN 81 16.509 16.774 -15.495 653 HE21 GLN 81 1HE2 GLN 81 17.797 18.070 -14.407 654 HE22 GLN 81 2HE2 GLN 81 17.624 19.782 -14.249 655 H ALA 82 H ALA 82 16.263 19.591 -18.383 656 HA ALA 82 HA ALA 82 18.818 20.391 -17.306 657 HB1 ALA 82 1HB ALA 82 19.873 20.222 -19.283 658 HB2 ALA 82 2HB ALA 82 18.367 20.203 -20.202 659 HB3 ALA 82 3HB ALA 82 19.043 21.735 -19.648 660 H SER 83 H SER 83 18.212 22.001 -16.021 661 HA SER 83 HA SER 83 17.141 23.839 -15.205 662 HB2 SER 83 2HB SER 83 17.030 24.804 -18.062 663 HB3 SER 83 3HB SER 83 17.175 25.767 -16.592 664 HG SER 83 HG SER 83 19.206 25.668 -17.365 665 H GLY 84 H GLY 84 15.364 21.947 -15.225 666 HA2 GLY 84 2HA GLY 84 12.949 23.194 -16.381 667 HA3 GLY 84 3HA GLY 84 13.199 21.456 -16.447 668 H TYR 85 H TYR 85 12.257 24.144 -14.491 669 HA TYR 85 HA TYR 85 11.454 22.265 -12.371 670 HB2 TYR 85 2HB TYR 85 13.058 24.723 -12.182 671 HB3 TYR 85 3HB TYR 85 11.733 24.633 -11.027 672 HD1 TYR 85 HD2 TYR 85 11.563 22.438 -9.646 673 HD2 TYR 85 HD1 TYR 85 15.075 23.670 -11.708 674 HE1 TYR 85 HE2 TYR 85 12.916 20.976 -8.202 675 HE2 TYR 85 HE1 TYR 85 16.437 22.211 -10.271 676 HH TYR 85 HH TYR 85 15.073 20.566 -7.502 677 H VAL 86 H VAL 86 9.764 23.365 -10.891 678 HA VAL 86 HA VAL 86 7.626 24.116 -10.671 679 HB VAL 86 HB VAL 86 8.358 26.136 -12.791 680 HG11 VAL 86 1HG1 VAL 86 6.201 26.672 -12.496 681 HG12 VAL 86 2HG1 VAL 86 6.076 25.745 -10.999 682 HG13 VAL 86 3HG1 VAL 86 6.747 27.376 -10.975 683 HG21 VAL 86 3HG2 VAL 86 8.845 27.562 -10.696 684 HG22 VAL 86 1HG2 VAL 86 9.014 26.013 -9.871 685 HG23 VAL 86 2HG2 VAL 86 10.065 26.407 -11.231 686 HA PRO 87 HA PRO 87 6.349 21.805 -14.494 687 HB2 PRO 87 2HB PRO 87 4.970 19.888 -13.155 688 HB3 PRO 87 3HB PRO 87 6.705 19.776 -13.475 689 HG2 PRO 87 2HG PRO 87 5.290 20.633 -10.980 690 HG3 PRO 87 3HG PRO 87 6.707 19.581 -11.158 691 HD2 PRO 87 2HD PRO 87 6.907 22.188 -10.451 692 HD3 PRO 87 3HD PRO 87 8.152 21.359 -11.408 693 HA PRO 88 HA PRO 88 2.268 23.426 -14.729 694 HB2 PRO 88 2HB PRO 88 0.940 21.510 -16.120 695 HB3 PRO 88 3HB PRO 88 2.144 22.573 -16.858 696 HG2 PRO 88 2HG PRO 88 2.443 19.756 -15.889 697 HG3 PRO 88 3HG PRO 88 3.061 20.499 -17.375 698 HD2 PRO 88 2HD PRO 88 4.614 20.097 -15.194 699 HD3 PRO 88 3HD PRO 88 4.853 21.468 -16.296 700 H ALA 89 H ALA 89 2.254 19.964 -13.880 701 HA ALA 89 HA ALA 89 0.768 20.398 -11.497 702 HB1 ALA 89 1HB ALA 89 -0.860 20.447 -13.651 703 HB2 ALA 89 2HB ALA 89 -0.875 18.724 -13.274 704 HB3 ALA 89 3HB ALA 89 -1.357 19.898 -12.050 705 H GLN 90 H GLN 90 0.418 18.441 -10.290 706 HA GLN 90 HA GLN 90 2.084 16.207 -11.248 707 HB2 GLN 90 2HB GLN 90 2.775 17.628 -9.170 708 HB3 GLN 90 3HB GLN 90 1.530 16.702 -8.343 709 HG2 GLN 90 2HG GLN 90 2.674 14.624 -9.014 710 HG3 GLN 90 3HG GLN 90 3.951 15.595 -9.746 711 HE21 GLN 90 1HE2 GLN 90 5.672 15.335 -8.503 712 HE22 GLN 90 2HE2 GLN 90 5.716 15.532 -6.787 713 H GLY 91 H GLY 91 0.276 15.202 -12.252 714 HA2 GLY 91 2HA GLY 91 -1.743 14.161 -10.367 715 HA3 GLY 91 3HA GLY 91 -2.005 14.372 -12.092 Start of MODEL 19 1 H1 MET 1 H MET 1 -0.777 0.044 -0.132 2 HA MET 1 HA MET 1 1.435 -0.169 -1.745 3 HB2 MET 1 2HB MET 1 1.081 -0.721 0.787 4 HB3 MET 1 3HB MET 1 0.822 -2.360 0.206 5 HG2 MET 1 2HG MET 1 3.221 -1.031 -0.840 6 HG3 MET 1 3HG MET 1 3.222 -1.337 0.896 7 HE1 MET 1 3HE MET 1 3.502 -3.100 1.993 8 HE2 MET 1 1HE MET 1 3.209 -4.783 1.551 9 HE3 MET 1 2HE MET 1 4.801 -4.067 1.293 10 H ALA 2 H ALA 2 0.347 -0.698 -3.817 11 HA ALA 2 HA ALA 2 -0.848 -3.139 -4.401 12 HB1 ALA 2 1HB ALA 2 0.588 -1.086 -6.000 13 HB2 ALA 2 2HB ALA 2 0.251 -2.646 -6.750 14 HB3 ALA 2 3HB ALA 2 -1.074 -1.663 -6.128 15 H ARG 3 H ARG 3 2.489 -2.308 -5.343 16 HA ARG 3 HA ARG 3 3.241 -5.099 -4.768 17 HB2 ARG 3 2HB ARG 3 3.193 -3.954 -7.257 18 HB3 ARG 3 3HB ARG 3 4.864 -3.697 -6.774 19 HG2 ARG 3 2HG ARG 3 4.919 -5.733 -7.882 20 HG3 ARG 3 3HG ARG 3 4.863 -6.193 -6.179 21 HD2 ARG 3 2HD ARG 3 2.197 -5.895 -7.155 22 HD3 ARG 3 3HD ARG 3 3.097 -6.937 -8.255 23 HE ARG 3 HE ARG 3 3.674 -7.862 -5.734 24 HH11 ARG 3 1HH1 ARG 3 0.800 -7.391 -7.642 25 HH12 ARG 3 2HH1 ARG 3 -0.064 -8.697 -6.900 26 HH21 ARG 3 1HH2 ARG 3 2.546 -9.583 -4.749 27 HH22 ARG 3 2HH2 ARG 3 0.930 -9.942 -5.254 28 H MET 4 H MET 4 5.943 -4.940 -5.131 29 HA MET 4 HA MET 4 6.833 -2.850 -3.263 30 HB2 MET 4 2HB MET 4 7.762 -5.722 -3.166 31 HB3 MET 4 3HB MET 4 8.187 -4.432 -2.049 32 HG2 MET 4 2HG MET 4 5.547 -4.369 -1.743 33 HG3 MET 4 3HG MET 4 5.722 -6.053 -2.233 34 HE1 MET 4 3HE MET 4 8.671 -6.810 -0.845 35 HE2 MET 4 1HE MET 4 7.878 -7.632 0.500 36 HE3 MET 4 2HE MET 4 7.200 -7.744 -1.124 37 H ILE 5 H ILE 5 7.956 -1.613 -4.680 38 HA ILE 5 HA ILE 5 10.335 -2.823 -5.872 39 HB ILE 5 HB ILE 5 10.020 -1.854 -8.017 40 HG12 ILE 5 2HG1 ILE 5 7.450 -0.775 -8.084 41 HG13 ILE 5 3HG1 ILE 5 8.143 -0.154 -6.590 42 HG21 ILE 5 1HG2 ILE 5 7.454 -3.147 -7.104 43 HG22 ILE 5 2HG2 ILE 5 7.933 -2.928 -8.787 44 HG23 ILE 5 3HG2 ILE 5 8.887 -3.966 -7.727 45 HD11 ILE 5 3HD1 ILE 5 9.134 0.209 -9.395 46 HD12 ILE 5 1HD1 ILE 5 8.637 1.439 -8.233 47 HD13 ILE 5 2HD1 ILE 5 10.138 0.546 -7.985 48 H HIS 6 H HIS 6 11.786 -1.041 -6.805 49 HA HIS 6 HA HIS 6 11.867 1.140 -4.845 50 HB2 HIS 6 2HB HIS 6 14.252 1.387 -5.674 51 HB3 HIS 6 3HB HIS 6 13.888 -0.110 -4.822 52 HD1 HIS 6 HD1 HIS 6 13.737 -2.288 -6.280 53 HD2 HIS 6 HD2 HIS 6 15.044 1.093 -8.308 54 HE1 HIS 6 HE1 HIS 6 14.734 -3.136 -8.427 55 H CYS 7 H CYS 7 10.720 2.821 -5.613 56 HA CYS 7 HA CYS 7 10.169 3.537 -8.190 57 HB2 CYS 7 2HB CYS 7 9.396 4.597 -5.954 58 HB3 CYS 7 3HB CYS 7 10.789 5.654 -6.147 59 HG CYS 7 HG CYS 7 9.926 6.707 -8.595 60 H ALA 8 H ALA 8 11.597 3.636 -9.804 61 HA ALA 8 HA ALA 8 14.313 4.351 -9.527 62 HB1 ALA 8 1HB ALA 8 12.680 3.300 -11.546 63 HB2 ALA 8 2HB ALA 8 13.377 4.780 -12.208 64 HB3 ALA 8 3HB ALA 8 14.430 3.513 -11.579 65 H LYS 9 H LYS 9 11.519 6.249 -9.605 66 HA LYS 9 HA LYS 9 12.797 8.591 -10.751 67 HB2 LYS 9 2HB LYS 9 10.313 7.911 -11.003 68 HB3 LYS 9 3HB LYS 9 10.120 8.568 -9.384 69 HG2 LYS 9 2HG LYS 9 11.406 10.613 -10.561 70 HG3 LYS 9 3HG LYS 9 10.550 9.943 -11.952 71 HD2 LYS 9 2HD LYS 9 8.913 11.323 -11.194 72 HD3 LYS 9 3HD LYS 9 8.549 9.924 -10.182 73 HE2 LYS 9 2HE LYS 9 9.888 10.889 -8.374 74 HE3 LYS 9 3HE LYS 9 10.255 12.284 -9.388 75 HZ1 LYS 9 3HZ LYS 9 7.439 11.639 -8.991 76 HZ2 LYS 9 1HZ LYS 9 8.198 13.146 -9.109 77 HZ3 LYS 9 2HZ LYS 9 8.270 12.274 -7.662 78 H LEU 10 H LEU 10 11.101 7.961 -7.673 79 HA LEU 10 HA LEU 10 12.199 10.210 -6.361 80 HB2 LEU 10 2HB LEU 10 11.179 7.722 -5.015 81 HB3 LEU 10 3HB LEU 10 11.202 9.366 -4.380 82 HG LEU 10 HG LEU 10 9.560 8.720 -6.797 83 HD11 LEU 10 1HD1 LEU 10 8.338 8.539 -4.090 84 HD12 LEU 10 2HD1 LEU 10 9.185 7.134 -4.736 85 HD13 LEU 10 3HD1 LEU 10 7.821 7.821 -5.616 86 HD21 LEU 10 3HD2 LEU 10 8.903 10.595 -4.557 87 HD22 LEU 10 1HD2 LEU 10 8.378 10.637 -6.240 88 HD23 LEU 10 2HD2 LEU 10 10.037 11.066 -5.823 89 H GLY 11 H GLY 11 12.846 6.746 -5.760 90 HA2 GLY 11 2HA GLY 11 15.256 6.094 -5.864 91 HA3 GLY 11 3HA GLY 11 15.564 7.535 -4.907 92 H LYS 12 H LYS 12 12.735 5.663 -4.241 93 HA LYS 12 HA LYS 12 14.062 4.267 -2.038 94 HB2 LYS 12 2HB LYS 12 11.751 5.030 -0.816 95 HB3 LYS 12 3HB LYS 12 13.300 5.837 -0.610 96 HG2 LYS 12 2HG LYS 12 11.651 7.499 -1.032 97 HG3 LYS 12 3HG LYS 12 12.671 7.372 -2.467 98 HD2 LYS 12 2HD LYS 12 10.338 7.533 -3.113 99 HD3 LYS 12 3HD LYS 12 10.971 5.936 -3.522 100 HE2 LYS 12 2HE LYS 12 9.438 4.946 -2.252 101 HE3 LYS 12 3HE LYS 12 9.894 5.925 -0.859 102 HZ1 LYS 12 3HZ LYS 12 7.868 6.526 -2.929 103 HZ2 LYS 12 1HZ LYS 12 8.488 7.727 -1.911 104 HZ3 LYS 12 2HZ LYS 12 7.655 6.409 -1.255 105 H GLU 13 H GLU 13 11.944 3.135 -0.799 106 HA GLU 13 HA GLU 13 11.020 1.263 -2.808 107 HB2 GLU 13 2HB GLU 13 11.353 1.274 0.098 108 HB3 GLU 13 3HB GLU 13 9.866 0.494 -0.424 109 HG2 GLU 13 2HG GLU 13 11.064 -1.063 -1.768 110 HG3 GLU 13 3HG GLU 13 12.577 -0.192 -1.525 111 H ALA 14 H ALA 14 9.151 1.459 -3.830 112 HA ALA 14 HA ALA 14 6.864 2.644 -2.428 113 HB1 ALA 14 1HB ALA 14 7.962 3.522 -5.081 114 HB2 ALA 14 2HB ALA 14 6.283 3.810 -4.620 115 HB3 ALA 14 3HB ALA 14 7.592 4.501 -3.661 116 H GLU 15 H GLU 15 4.795 2.272 -3.676 117 HA GLU 15 HA GLU 15 4.560 -0.501 -4.255 118 HB2 GLU 15 2HB GLU 15 2.216 -0.045 -4.643 119 HB3 GLU 15 3HB GLU 15 2.753 0.837 -3.220 120 HG2 GLU 15 2HG GLU 15 3.156 2.656 -5.223 121 HG3 GLU 15 3HG GLU 15 1.696 1.821 -5.750 122 H GLY 16 H GLY 16 4.749 -1.551 -6.127 123 HA2 GLY 16 2HA GLY 16 5.074 0.054 -8.571 124 HA3 GLY 16 3HA GLY 16 5.698 -1.571 -8.328 125 H LEU 17 H LEU 17 4.425 -1.168 -10.623 126 HA LEU 17 HA LEU 17 1.609 -1.663 -10.465 127 HB2 LEU 17 2HB LEU 17 3.631 -1.602 -12.668 128 HB3 LEU 17 3HB LEU 17 2.019 -2.248 -12.966 129 HG LEU 17 HG LEU 17 1.063 -0.069 -12.277 130 HD11 LEU 17 1HD1 LEU 17 3.954 0.779 -12.181 131 HD12 LEU 17 2HD1 LEU 17 2.830 0.711 -10.824 132 HD13 LEU 17 3HD1 LEU 17 2.570 1.871 -12.127 133 HD21 LEU 17 3HD2 LEU 17 2.837 -0.462 -14.610 134 HD22 LEU 17 1HD2 LEU 17 2.300 1.187 -14.289 135 HD23 LEU 17 2HD2 LEU 17 1.113 -0.093 -14.541 136 H ASP 18 H ASP 18 0.936 -3.607 -12.116 137 HA ASP 18 HA ASP 18 2.396 -6.035 -11.416 138 HB2 ASP 18 2HB ASP 18 0.605 -5.565 -9.663 139 HB3 ASP 18 3HB ASP 18 -0.577 -5.866 -10.934 140 H PHE 19 H PHE 19 2.143 -4.679 -13.884 141 HA PHE 19 HA PHE 19 1.546 -6.758 -15.621 142 HB2 PHE 19 2HB PHE 19 -0.547 -5.650 -16.688 143 HB3 PHE 19 3HB PHE 19 -0.755 -6.651 -15.255 144 HD1 PHE 19 HD1 PHE 19 -0.227 -3.103 -16.254 145 HD2 PHE 19 HD2 PHE 19 -1.941 -5.820 -13.462 146 HE1 PHE 19 HE1 PHE 19 -1.335 -1.226 -15.111 147 HE2 PHE 19 HE2 PHE 19 -3.052 -3.948 -12.316 148 HZ PHE 19 HZ PHE 19 -2.750 -1.647 -13.141 149 HA PRO 20 HA PRO 20 3.607 -4.085 -18.423 150 HB2 PRO 20 2HB PRO 20 2.637 -4.918 -20.818 151 HB3 PRO 20 3HB PRO 20 3.766 -5.877 -19.853 152 HG2 PRO 20 2HG PRO 20 0.792 -6.122 -20.087 153 HG3 PRO 20 3HG PRO 20 2.022 -7.400 -20.067 154 HD2 PRO 20 2HD PRO 20 0.549 -6.762 -17.886 155 HD3 PRO 20 3HD PRO 20 2.222 -7.346 -17.772 156 HA PRO 21 HA PRO 21 0.906 -0.636 -19.099 157 HB2 PRO 21 2HB PRO 21 2.662 0.924 -20.462 158 HB3 PRO 21 3HB PRO 21 2.752 0.677 -18.713 159 HG2 PRO 21 2HG PRO 21 4.314 -0.648 -20.896 160 HG3 PRO 21 3HG PRO 21 4.878 -0.031 -19.333 161 HD2 PRO 21 2HD PRO 21 4.406 -2.660 -19.776 162 HD3 PRO 21 3HD PRO 21 4.155 -1.898 -18.192 163 H LEU 22 H LEU 22 2.945 -1.625 -21.858 164 HA LEU 22 HA LEU 22 0.585 -1.743 -23.552 165 HB2 LEU 22 2HB LEU 22 2.488 0.425 -23.624 166 HB3 LEU 22 3HB LEU 22 2.460 -0.441 -25.159 167 HG LEU 22 HG LEU 22 0.943 1.347 -25.388 168 HD11 LEU 22 1HD1 LEU 22 -1.077 -0.677 -24.656 169 HD12 LEU 22 2HD1 LEU 22 0.169 -1.184 -25.796 170 HD13 LEU 22 3HD1 LEU 22 -0.847 0.210 -26.163 171 HD21 LEU 22 3HD2 LEU 22 -0.311 2.245 -23.755 172 HD22 LEU 22 1HD2 LEU 22 0.747 1.327 -22.683 173 HD23 LEU 22 2HD2 LEU 22 -0.826 0.673 -23.143 174 HA PRO 23 HA PRO 23 4.241 -3.767 -25.933 175 HB2 PRO 23 2HB PRO 23 6.745 -3.474 -24.924 176 HB3 PRO 23 3HB PRO 23 6.023 -2.321 -26.051 177 HG2 PRO 23 2HG PRO 23 6.260 -2.161 -23.071 178 HG3 PRO 23 3HG PRO 23 6.531 -0.896 -24.285 179 HD2 PRO 23 2HD PRO 23 4.243 -1.069 -22.847 180 HD3 PRO 23 3HD PRO 23 4.280 -0.457 -24.513 181 H GLY 24 H GLY 24 6.311 -5.346 -25.180 182 HA2 GLY 24 2HA GLY 24 5.227 -6.857 -22.882 183 HA3 GLY 24 3HA GLY 24 5.834 -7.635 -24.337 184 H GLU 25 H GLU 25 8.093 -5.773 -24.578 185 HA GLU 25 HA GLU 25 9.842 -7.106 -22.668 186 HB2 GLU 25 2HB GLU 25 10.506 -5.337 -25.029 187 HB3 GLU 25 3HB GLU 25 11.673 -6.220 -24.055 188 HG2 GLU 25 2HG GLU 25 10.857 -8.313 -24.820 189 HG3 GLU 25 3HG GLU 25 9.461 -7.557 -25.586 190 H LEU 26 H LEU 26 9.863 -3.795 -23.981 191 HA LEU 26 HA LEU 26 11.194 -2.658 -21.801 192 HB2 LEU 26 2HB LEU 26 10.527 -1.784 -24.239 193 HB3 LEU 26 3HB LEU 26 9.276 -0.972 -23.301 194 HG LEU 26 HG LEU 26 12.238 -0.558 -23.267 195 HD11 LEU 26 1HD1 LEU 26 9.799 0.995 -23.848 196 HD12 LEU 26 2HD1 LEU 26 11.405 1.085 -24.569 197 HD13 LEU 26 3HD1 LEU 26 11.094 1.854 -23.013 198 HD21 LEU 26 3HD2 LEU 26 11.726 -0.933 -20.948 199 HD22 LEU 26 1HD2 LEU 26 10.317 0.122 -21.045 200 HD23 LEU 26 2HD2 LEU 26 11.937 0.799 -21.211 201 H GLY 27 H GLY 27 7.763 -3.133 -22.428 202 HA2 GLY 27 2HA GLY 27 6.816 -1.529 -20.282 203 HA3 GLY 27 3HA GLY 27 5.904 -2.774 -21.123 204 H LYS 28 H LYS 28 7.231 -5.054 -20.585 205 HA LYS 28 HA LYS 28 6.344 -5.797 -18.075 206 HB2 LYS 28 2HB LYS 28 6.861 -7.433 -19.792 207 HB3 LYS 28 3HB LYS 28 8.566 -7.004 -19.732 208 HG2 LYS 28 2HG LYS 28 8.632 -7.799 -17.385 209 HG3 LYS 28 3HG LYS 28 6.961 -8.340 -17.564 210 HD2 LYS 28 2HD LYS 28 7.988 -9.552 -19.693 211 HD3 LYS 28 3HD LYS 28 9.461 -9.450 -18.725 212 HE2 LYS 28 2HE LYS 28 6.856 -10.765 -17.977 213 HE3 LYS 28 3HE LYS 28 8.410 -11.547 -18.260 214 HZ1 LYS 28 3HZ LYS 28 8.658 -11.402 -16.064 215 HZ2 LYS 28 1HZ LYS 28 7.410 -10.273 -15.889 216 HZ3 LYS 28 2HZ LYS 28 8.965 -9.756 -16.307 217 H ARG 29 H ARG 29 9.332 -4.277 -18.995 218 HA ARG 29 HA ARG 29 10.528 -4.734 -16.378 219 HB2 ARG 29 2HB ARG 29 11.607 -3.176 -18.733 220 HB3 ARG 29 3HB ARG 29 12.503 -3.647 -17.295 221 HG2 ARG 29 2HG ARG 29 12.338 -5.970 -17.888 222 HG3 ARG 29 3HG ARG 29 11.290 -5.582 -19.254 223 HD2 ARG 29 2HD ARG 29 13.083 -4.381 -20.339 224 HD3 ARG 29 3HD ARG 29 14.128 -4.616 -18.939 225 HE ARG 29 HE ARG 29 13.306 -7.127 -19.857 226 HH11 ARG 29 1HH1 ARG 29 15.276 -4.444 -20.877 227 HH12 ARG 29 2HH1 ARG 29 16.339 -5.420 -21.835 228 HH21 ARG 29 1HH2 ARG 29 14.698 -8.423 -21.115 229 HH22 ARG 29 2HH2 ARG 29 16.009 -7.683 -21.971 230 H LEU 30 H LEU 30 8.647 -2.393 -17.998 231 HA LEU 30 HA LEU 30 9.530 -0.115 -16.492 232 HB2 LEU 30 2HB LEU 30 7.417 -0.691 -18.486 233 HB3 LEU 30 3HB LEU 30 7.148 0.676 -17.407 234 HG LEU 30 HG LEU 30 9.510 0.329 -19.254 235 HD11 LEU 30 1HD1 LEU 30 7.359 0.774 -20.397 236 HD12 LEU 30 2HD1 LEU 30 8.527 2.083 -20.572 237 HD13 LEU 30 3HD1 LEU 30 7.188 2.242 -19.435 238 HD21 LEU 30 3HD2 LEU 30 9.655 2.867 -18.609 239 HD22 LEU 30 1HD2 LEU 30 10.375 1.632 -17.576 240 HD23 LEU 30 2HD2 LEU 30 8.810 2.329 -17.157 241 H TYR 31 H TYR 31 6.695 -2.251 -16.395 242 HA TYR 31 HA TYR 31 5.456 -0.968 -14.197 243 HB2 TYR 31 2HB TYR 31 3.828 -2.556 -14.398 244 HB3 TYR 31 3HB TYR 31 4.598 -2.782 -15.965 245 HD1 TYR 31 HD2 TYR 31 4.152 -4.186 -12.602 246 HD2 TYR 31 HD1 TYR 31 5.880 -4.771 -16.446 247 HE1 TYR 31 HE2 TYR 31 4.560 -6.548 -12.052 248 HE2 TYR 31 HE1 TYR 31 6.292 -7.135 -15.907 249 HH TYR 31 HH TYR 31 5.283 -8.863 -14.317 250 H GLU 32 H GLU 32 8.115 -3.102 -14.432 251 HA GLU 32 HA GLU 32 7.927 -3.841 -11.600 252 HB2 GLU 32 2HB GLU 32 9.370 -5.618 -12.028 253 HB3 GLU 32 3HB GLU 32 8.404 -5.535 -13.494 254 HG2 GLU 32 2HG GLU 32 10.250 -4.164 -14.506 255 HG3 GLU 32 3HG GLU 32 11.217 -4.565 -13.089 256 H SER 33 H SER 33 9.101 -1.370 -13.347 257 HA SER 33 HA SER 33 11.453 -1.023 -11.605 258 HB2 SER 33 2HB SER 33 10.963 -0.068 -14.428 259 HB3 SER 33 3HB SER 33 12.264 0.562 -13.418 260 HG SER 33 HG SER 33 12.250 -1.653 -14.873 261 H VAL 34 H VAL 34 8.710 0.586 -13.144 262 HA VAL 34 HA VAL 34 9.138 3.003 -11.585 263 HB VAL 34 HB VAL 34 8.364 3.053 -13.985 264 HG11 VAL 34 1HG1 VAL 34 6.486 1.232 -13.097 265 HG12 VAL 34 2HG1 VAL 34 5.563 2.723 -13.293 266 HG13 VAL 34 3HG1 VAL 34 6.478 2.066 -14.651 267 HG21 VAL 34 3HG2 VAL 34 8.139 4.948 -12.381 268 HG22 VAL 34 1HG2 VAL 34 6.923 4.941 -13.658 269 HG23 VAL 34 2HG2 VAL 34 6.499 4.399 -12.034 270 H SER 35 H SER 35 7.485 3.907 -10.222 271 HA SER 35 HA SER 35 5.865 1.829 -8.906 272 HB2 SER 35 2HB SER 35 7.711 3.736 -7.855 273 HB3 SER 35 3HB SER 35 6.103 4.139 -7.254 274 HG SER 35 HG SER 35 7.725 2.099 -6.555 275 H LYS 36 H LYS 36 4.161 3.301 -7.425 276 HA LYS 36 HA LYS 36 2.274 4.201 -9.389 277 HB2 LYS 36 2HB LYS 36 1.523 2.949 -7.435 278 HB3 LYS 36 3HB LYS 36 2.147 4.200 -6.368 279 HG2 LYS 36 2HG LYS 36 -0.232 4.429 -6.550 280 HG3 LYS 36 3HG LYS 36 0.541 5.795 -7.357 281 HD2 LYS 36 2HD LYS 36 0.041 4.964 -9.490 282 HD3 LYS 36 3HD LYS 36 -0.287 3.341 -8.876 283 HE2 LYS 36 2HE LYS 36 -2.287 4.176 -7.744 284 HE3 LYS 36 3HE LYS 36 -1.955 5.799 -8.345 285 HZ1 LYS 36 3HZ LYS 36 -2.075 4.774 -10.634 286 HZ2 LYS 36 1HZ LYS 36 -3.538 4.894 -9.794 287 HZ3 LYS 36 2HZ LYS 36 -2.741 3.405 -9.897 288 H GLN 37 H GLN 37 4.594 5.696 -7.318 289 HA GLN 37 HA GLN 37 3.412 8.295 -7.278 290 HB2 GLN 37 2HB GLN 37 5.249 7.219 -5.731 291 HB3 GLN 37 3HB GLN 37 6.352 7.872 -6.934 292 HG2 GLN 37 2HG GLN 37 6.081 9.395 -5.063 293 HG3 GLN 37 3HG GLN 37 5.473 10.105 -6.558 294 HE21 GLN 37 1HE2 GLN 37 4.469 8.406 -3.633 295 HE22 GLN 37 2HE2 GLN 37 2.902 9.128 -3.536 296 H ALA 38 H ALA 38 6.225 6.956 -9.014 297 HA ALA 38 HA ALA 38 6.554 9.256 -10.658 298 HB1 ALA 38 1HB ALA 38 8.340 7.581 -10.070 299 HB2 ALA 38 2HB ALA 38 7.594 6.494 -11.242 300 HB3 ALA 38 3HB ALA 38 8.257 8.041 -11.771 301 H TRP 39 H TRP 39 4.492 6.522 -10.795 302 HA TRP 39 HA TRP 39 4.091 6.117 -13.494 303 HB2 TRP 39 2HB TRP 39 3.006 4.685 -11.912 304 HB3 TRP 39 3HB TRP 39 2.122 6.036 -11.205 305 HD1 TRP 39 HD1 TRP 39 -0.303 6.212 -11.982 306 HE1 TRP 39 HE1 TRP 39 -1.654 5.420 -14.025 307 HE3 TRP 39 HE3 TRP 39 3.491 4.138 -14.710 308 HZ2 TRP 39 HZ2 TRP 39 -1.175 4.091 -16.469 309 HZ3 TRP 39 HZ3 TRP 39 2.960 3.126 -16.889 310 HH2 TRP 39 HH2 TRP 39 0.675 3.104 -17.748 311 H GLN 40 H GLN 40 3.056 8.780 -11.495 312 HA GLN 40 HA GLN 40 1.282 9.845 -13.523 313 HB2 GLN 40 2HB GLN 40 2.187 10.941 -10.858 314 HB3 GLN 40 3HB GLN 40 1.040 11.748 -11.919 315 HG2 GLN 40 2HG GLN 40 0.552 8.950 -10.986 316 HG3 GLN 40 3HG GLN 40 0.156 10.330 -9.963 317 HE21 GLN 40 1HE2 GLN 40 -0.978 8.266 -12.293 318 HE22 GLN 40 2HE2 GLN 40 -2.339 9.181 -12.835 319 H ASP 41 H ASP 41 4.540 10.328 -12.369 320 HA ASP 41 HA ASP 41 4.998 12.830 -13.632 321 HB2 ASP 41 2HB ASP 41 6.355 11.641 -11.758 322 HB3 ASP 41 3HB ASP 41 7.179 10.837 -13.091 323 H TRP 42 H TRP 42 5.531 9.474 -14.605 324 HA TRP 42 HA TRP 42 6.947 9.947 -16.966 325 HB2 TRP 42 2HB TRP 42 6.805 7.717 -16.072 326 HB3 TRP 42 3HB TRP 42 5.051 7.713 -16.226 327 HD1 TRP 42 HD1 TRP 42 7.874 8.423 -18.811 328 HE1 TRP 42 HE1 TRP 42 7.396 7.000 -20.902 329 HE3 TRP 42 HE3 TRP 42 3.652 6.024 -17.211 330 HZ2 TRP 42 HZ2 TRP 42 5.482 5.110 -21.759 331 HZ3 TRP 42 HZ3 TRP 42 2.559 4.424 -18.728 332 HH2 TRP 42 HH2 TRP 42 3.456 3.978 -20.954 333 H LEU 43 H LEU 43 3.539 10.176 -16.254 334 HA LEU 43 HA LEU 43 2.661 10.254 -18.971 335 HB2 LEU 43 2HB LEU 43 1.303 11.235 -16.465 336 HB3 LEU 43 3HB LEU 43 0.533 11.027 -18.036 337 HG LEU 43 HG LEU 43 1.788 8.722 -16.572 338 HD11 LEU 43 1HD1 LEU 43 -1.065 8.747 -16.360 339 HD12 LEU 43 2HD1 LEU 43 -0.404 10.220 -15.653 340 HD13 LEU 43 3HD1 LEU 43 0.148 8.645 -15.084 341 HD21 LEU 43 3HD2 LEU 43 0.080 7.483 -17.929 342 HD22 LEU 43 1HD2 LEU 43 1.350 8.270 -18.867 343 HD23 LEU 43 2HD2 LEU 43 -0.254 8.998 -18.769 344 H LYS 44 H LYS 44 3.737 12.623 -16.638 345 HA LYS 44 HA LYS 44 2.780 14.961 -17.812 346 HB2 LYS 44 2HB LYS 44 5.371 14.508 -16.321 347 HB3 LYS 44 3HB LYS 44 4.680 16.086 -16.676 348 HG2 LYS 44 2HG LYS 44 3.326 13.961 -15.029 349 HG3 LYS 44 3HG LYS 44 4.254 15.310 -14.369 350 HD2 LYS 44 2HD LYS 44 2.676 16.814 -15.706 351 HD3 LYS 44 3HD LYS 44 1.662 15.382 -15.888 352 HE2 LYS 44 2HE LYS 44 1.256 15.237 -13.588 353 HE3 LYS 44 3HE LYS 44 2.616 16.287 -13.192 354 HZ1 LYS 44 3HZ LYS 44 0.003 17.052 -14.353 355 HZ2 LYS 44 1HZ LYS 44 1.341 18.088 -14.381 356 HZ3 LYS 44 2HZ LYS 44 0.697 17.578 -12.903 357 H GLN 45 H GLN 45 5.994 13.471 -18.243 358 HA GLN 45 HA GLN 45 6.836 15.212 -20.282 359 HB2 GLN 45 2HB GLN 45 8.649 13.698 -20.636 360 HB3 GLN 45 3HB GLN 45 8.311 13.714 -18.910 361 HG2 GLN 45 2HG GLN 45 7.170 11.610 -19.056 362 HG3 GLN 45 3HG GLN 45 7.307 11.613 -20.813 363 HE21 GLN 45 1HE2 GLN 45 8.930 10.518 -21.649 364 HE22 GLN 45 2HE2 GLN 45 10.371 10.044 -20.822 365 H GLN 46 H GLN 46 4.955 12.266 -20.337 366 HA GLN 46 HA GLN 46 5.155 11.501 -22.978 367 HB2 GLN 46 2HB GLN 46 3.357 11.021 -20.796 368 HB3 GLN 46 3HB GLN 46 2.427 11.238 -22.272 369 HG2 GLN 46 2HG GLN 46 3.929 9.536 -23.345 370 HG3 GLN 46 3HG GLN 46 4.590 9.222 -21.741 371 HE21 GLN 46 1HE2 GLN 46 3.716 7.049 -22.526 372 HE22 GLN 46 2HE2 GLN 46 2.105 6.664 -22.036 373 H THR 47 H THR 47 3.031 13.966 -21.571 374 HA THR 47 HA THR 47 1.777 14.627 -24.048 375 HB THR 47 HB THR 47 1.917 16.197 -21.466 376 HG1 THR 47 HG1 THR 47 -0.244 15.331 -21.249 377 HG21 THR 47 3HG2 THR 47 -0.025 17.420 -22.344 378 HG22 THR 47 1HG2 THR 47 0.118 16.546 -23.868 379 HG23 THR 47 2HG2 THR 47 1.397 17.648 -23.360 380 H MET 48 H MET 48 4.457 15.980 -22.181 381 HA MET 48 HA MET 48 4.861 18.296 -23.712 382 HB2 MET 48 2HB MET 48 6.534 16.678 -21.846 383 HB3 MET 48 3HB MET 48 7.334 17.882 -22.848 384 HG2 MET 48 2HG MET 48 4.925 18.657 -21.277 385 HG3 MET 48 3HG MET 48 6.479 18.489 -20.464 386 HE1 MET 48 3HE MET 48 5.042 20.938 -20.157 387 HE2 MET 48 1HE MET 48 5.580 22.351 -21.065 388 HE3 MET 48 2HE MET 48 4.311 21.315 -21.718 389 H LEU 49 H LEU 49 6.098 15.008 -24.070 390 HA LEU 49 HA LEU 49 7.868 15.604 -26.214 391 HB2 LEU 49 2HB LEU 49 6.782 13.154 -24.945 392 HB3 LEU 49 3HB LEU 49 7.439 13.000 -26.573 393 HG LEU 49 HG LEU 49 8.984 12.478 -24.606 394 HD11 LEU 49 1HD1 LEU 49 10.449 12.606 -26.262 395 HD12 LEU 49 2HD1 LEU 49 10.629 14.330 -25.937 396 HD13 LEU 49 3HD1 LEU 49 9.440 13.774 -27.114 397 HD21 LEU 49 3HD2 LEU 49 8.197 14.708 -23.489 398 HD22 LEU 49 1HD2 LEU 49 9.462 15.421 -24.490 399 HD23 LEU 49 2HD2 LEU 49 9.867 14.166 -23.318 400 H ILE 50 H ILE 50 4.583 14.265 -26.069 401 HA ILE 50 HA ILE 50 4.279 13.905 -28.854 402 HB ILE 50 HB ILE 50 2.179 14.313 -26.723 403 HG12 ILE 50 2HG1 ILE 50 2.835 11.710 -28.056 404 HG13 ILE 50 3HG1 ILE 50 3.841 12.285 -26.731 405 HG21 ILE 50 1HG2 ILE 50 1.251 14.854 -28.883 406 HG22 ILE 50 2HG2 ILE 50 1.905 13.369 -29.572 407 HG23 ILE 50 3HG2 ILE 50 0.630 13.290 -28.355 408 HD11 ILE 50 3HD1 ILE 50 1.347 10.933 -26.627 409 HD12 ILE 50 1HD1 ILE 50 2.393 11.436 -25.299 410 HD13 ILE 50 2HD1 ILE 50 1.154 12.532 -25.911 411 H ASN 51 H ASN 51 3.703 16.632 -26.717 412 HA ASN 51 HA ASN 51 2.367 18.202 -28.721 413 HB2 ASN 51 2HB ASN 51 3.363 18.728 -25.937 414 HB3 ASN 51 3HB ASN 51 2.855 20.065 -26.965 415 HD21 ASN 51 1HD2 ASN 51 1.604 16.780 -26.504 416 HD22 ASN 51 2HD2 ASN 51 0.000 17.267 -26.085 417 H GLU 52 H GLU 52 5.620 18.019 -27.362 418 HA GLU 52 HA GLU 52 6.634 20.278 -28.763 419 HB2 GLU 52 2HB GLU 52 7.673 19.361 -26.709 420 HB3 GLU 52 3HB GLU 52 8.142 17.926 -27.609 421 HG2 GLU 52 2HG GLU 52 9.000 20.556 -28.670 422 HG3 GLU 52 3HG GLU 52 9.793 19.954 -27.216 423 H ASN 53 H ASN 53 6.952 16.772 -29.298 424 HA ASN 53 HA ASN 53 8.257 17.161 -31.837 425 HB2 ASN 53 2HB ASN 53 7.227 14.686 -30.439 426 HB3 ASN 53 3HB ASN 53 8.058 14.657 -31.991 427 HD21 ASN 53 1HD2 ASN 53 8.380 15.411 -28.589 428 HD22 ASN 53 2HD2 ASN 53 10.104 15.297 -28.532 429 H ARG 54 H ARG 54 5.052 17.087 -30.748 430 HA ARG 54 HA ARG 54 3.032 17.081 -31.793 431 HB2 ARG 54 2HB ARG 54 4.877 17.940 -33.998 432 HB3 ARG 54 3HB ARG 54 3.168 17.681 -34.324 433 HG2 ARG 54 2HG ARG 54 3.027 19.863 -33.811 434 HG3 ARG 54 3HG ARG 54 2.984 19.253 -32.155 435 HD2 ARG 54 2HD ARG 54 4.657 20.767 -31.910 436 HD3 ARG 54 3HD ARG 54 5.624 19.399 -32.460 437 HE ARG 54 HE ARG 54 4.874 20.733 -34.742 438 HH11 ARG 54 1HH1 ARG 54 6.627 21.508 -31.836 439 HH12 ARG 54 2HH1 ARG 54 7.632 22.693 -32.602 440 HH21 ARG 54 1HH2 ARG 54 6.190 22.292 -35.763 441 HH22 ARG 54 2HH2 ARG 54 7.382 23.139 -34.836 442 H LEU 55 H LEU 55 4.105 14.581 -31.391 443 HA LEU 55 HA LEU 55 4.059 12.999 -33.772 444 HB2 LEU 55 2HB LEU 55 3.693 11.992 -30.965 445 HB3 LEU 55 3HB LEU 55 4.335 11.124 -32.358 446 HG LEU 55 HG LEU 55 5.702 13.384 -30.898 447 HD11 LEU 55 1HD1 LEU 55 6.998 11.839 -29.814 448 HD12 LEU 55 2HD1 LEU 55 6.731 10.593 -31.032 449 HD13 LEU 55 3HD1 LEU 55 5.458 10.981 -29.875 450 HD21 LEU 55 3HD2 LEU 55 6.593 13.603 -32.987 451 HD22 LEU 55 1HD2 LEU 55 6.292 11.918 -33.415 452 HD23 LEU 55 2HD2 LEU 55 7.641 12.332 -32.356 453 H ASN 56 H ASN 56 2.546 11.018 -33.819 454 HA ASN 56 HA ASN 56 -0.200 11.973 -33.349 455 HB2 ASN 56 2HB ASN 56 0.472 11.664 -35.738 456 HB3 ASN 56 3HB ASN 56 0.720 9.953 -35.404 457 HD21 ASN 56 1HD2 ASN 56 -0.883 8.771 -36.119 458 HD22 ASN 56 2HD2 ASN 56 -2.557 9.198 -36.106 459 H MET 57 H MET 57 -0.458 11.123 -31.287 460 HA MET 57 HA MET 57 0.268 8.621 -30.371 461 HB2 MET 57 2HB MET 57 -2.240 10.142 -29.637 462 HB3 MET 57 3HB MET 57 -1.479 8.878 -28.680 463 HG2 MET 57 2HG MET 57 0.431 10.246 -28.263 464 HG3 MET 57 3HG MET 57 -0.135 11.469 -29.397 465 HE1 MET 57 3HE MET 57 -3.200 12.589 -28.371 466 HE2 MET 57 1HE MET 57 -2.100 13.784 -27.682 467 HE3 MET 57 2HE MET 57 -1.697 12.987 -29.203 468 H ALA 58 H ALA 58 -2.375 9.527 -32.452 469 HA ALA 58 HA ALA 58 -4.093 7.383 -32.210 470 HB1 ALA 58 1HB ALA 58 -5.102 8.577 -33.783 471 HB2 ALA 58 2HB ALA 58 -3.612 9.458 -34.122 472 HB3 ALA 58 3HB ALA 58 -3.952 7.943 -34.960 473 H ASP 59 H ASP 59 -0.953 7.520 -33.722 474 HA ASP 59 HA ASP 59 -1.256 4.720 -34.582 475 HB2 ASP 59 2HB ASP 59 0.266 7.030 -35.694 476 HB3 ASP 59 3HB ASP 59 0.959 5.421 -35.878 477 HA PRO 60 HA PRO 60 1.780 3.340 -31.735 478 HB2 PRO 60 2HB PRO 60 3.170 1.520 -33.193 479 HB3 PRO 60 3HB PRO 60 1.521 1.237 -32.622 480 HG2 PRO 60 2HG PRO 60 2.465 2.116 -35.323 481 HG3 PRO 60 3HG PRO 60 1.218 0.927 -34.907 482 HD2 PRO 60 2HD PRO 60 0.623 3.457 -35.665 483 HD3 PRO 60 3HD PRO 60 -0.373 2.547 -34.511 484 H ARG 61 H ARG 61 2.703 4.991 -34.563 485 HA ARG 61 HA ARG 61 5.509 4.870 -34.387 486 HB2 ARG 61 2HB ARG 61 3.802 7.133 -35.441 487 HB3 ARG 61 3HB ARG 61 5.505 6.870 -35.790 488 HG2 ARG 61 2HG ARG 61 3.288 4.975 -36.538 489 HG3 ARG 61 3HG ARG 61 4.012 6.167 -37.620 490 HD2 ARG 61 2HD ARG 61 5.371 3.811 -36.321 491 HD3 ARG 61 3HD ARG 61 5.027 4.032 -38.036 492 HE ARG 61 HE ARG 61 7.241 5.098 -36.572 493 HH11 ARG 61 1HH1 ARG 61 5.133 5.629 -39.291 494 HH12 ARG 61 2HH1 ARG 61 6.280 6.595 -40.158 495 HH21 ARG 61 1HH2 ARG 61 8.760 6.369 -37.703 496 HH22 ARG 61 2HH2 ARG 61 8.343 7.015 -39.255 497 H ALA 62 H ALA 62 3.135 7.012 -32.892 498 HA ALA 62 HA ALA 62 5.142 8.665 -31.651 499 HB1 ALA 62 1HB ALA 62 2.840 9.438 -32.356 500 HB2 ALA 62 2HB ALA 62 2.219 8.574 -30.949 501 HB3 ALA 62 3HB ALA 62 3.354 9.907 -30.735 502 H ARG 63 H ARG 63 3.542 5.726 -30.909 503 HA ARG 63 HA ARG 63 3.924 5.933 -28.047 504 HB2 ARG 63 2HB ARG 63 3.270 3.379 -29.478 505 HB3 ARG 63 3HB ARG 63 2.781 3.906 -27.873 506 HG2 ARG 63 2HG ARG 63 1.745 4.916 -30.511 507 HG3 ARG 63 3HG ARG 63 0.875 3.954 -29.314 508 HD2 ARG 63 2HD ARG 63 1.823 6.195 -27.935 509 HD3 ARG 63 3HD ARG 63 1.221 6.809 -29.474 510 HE ARG 63 HE ARG 63 -0.908 6.343 -28.783 511 HH11 ARG 63 1HH1 ARG 63 1.344 4.625 -26.759 512 HH12 ARG 63 2HH1 ARG 63 0.131 4.080 -25.648 513 HH21 ARG 63 1HH2 ARG 63 -2.514 5.632 -27.327 514 HH22 ARG 63 2HH2 ARG 63 -2.063 4.653 -25.973 515 H GLN 64 H GLN 64 5.535 4.516 -30.805 516 HA GLN 64 HA GLN 64 7.329 2.905 -29.242 517 HB2 GLN 64 2HB GLN 64 6.582 2.503 -31.668 518 HB3 GLN 64 3HB GLN 64 7.763 3.731 -32.104 519 HG2 GLN 64 2HG GLN 64 9.497 2.358 -30.943 520 HG3 GLN 64 3HG GLN 64 8.282 1.093 -30.760 521 HE21 GLN 64 1HE2 GLN 64 7.373 0.178 -32.694 522 HE22 GLN 64 2HE2 GLN 64 8.309 0.132 -34.145 523 H TYR 65 H TYR 65 7.267 6.154 -30.434 524 HA TYR 65 HA TYR 65 10.087 6.618 -30.224 525 HB2 TYR 65 2HB TYR 65 8.868 7.995 -31.751 526 HB3 TYR 65 3HB TYR 65 7.719 8.469 -30.505 527 HD1 TYR 65 HD1 TYR 65 11.083 8.996 -31.853 528 HD2 TYR 65 HD2 TYR 65 8.294 10.158 -28.858 529 HE1 TYR 65 HE1 TYR 65 12.454 10.976 -31.353 530 HE2 TYR 65 HE2 TYR 65 9.657 12.142 -28.350 531 HH TYR 65 HH TYR 65 12.769 12.689 -29.941 532 H LEU 66 H LEU 66 7.281 7.128 -28.159 533 HA LEU 66 HA LEU 66 8.641 8.622 -26.161 534 HB2 LEU 66 2HB LEU 66 6.012 7.304 -26.448 535 HB3 LEU 66 3HB LEU 66 6.586 7.554 -24.801 536 HG LEU 66 HG LEU 66 6.527 9.838 -26.735 537 HD11 LEU 66 1HD1 LEU 66 4.257 10.370 -25.851 538 HD12 LEU 66 2HD1 LEU 66 4.197 8.745 -25.170 539 HD13 LEU 66 3HD1 LEU 66 4.311 8.964 -26.916 540 HD21 LEU 66 3HD2 LEU 66 7.618 9.841 -24.403 541 HD22 LEU 66 1HD2 LEU 66 5.964 9.864 -23.791 542 HD23 LEU 66 2HD2 LEU 66 6.539 11.171 -24.827 543 H MET 67 H MET 67 8.068 5.198 -26.693 544 HA MET 67 HA MET 67 8.775 4.208 -24.184 545 HB2 MET 67 2HB MET 67 8.985 3.056 -26.956 546 HB3 MET 67 3HB MET 67 9.509 2.148 -25.544 547 HG2 MET 67 2HG MET 67 6.745 3.284 -25.867 548 HG3 MET 67 3HG MET 67 7.197 1.645 -26.331 549 HE1 MET 67 3HE MET 67 4.905 2.109 -24.781 550 HE2 MET 67 1HE MET 67 4.946 1.436 -23.151 551 HE3 MET 67 2HE MET 67 5.194 3.165 -23.397 552 H LYS 68 H LYS 68 10.718 5.590 -26.675 553 HA LYS 68 HA LYS 68 13.203 4.462 -25.745 554 HB2 LYS 68 2HB LYS 68 12.702 6.749 -27.659 555 HB3 LYS 68 3HB LYS 68 14.245 5.946 -27.398 556 HG2 LYS 68 2HG LYS 68 11.931 4.273 -28.206 557 HG3 LYS 68 3HG LYS 68 12.665 5.324 -29.419 558 HD2 LYS 68 2HD LYS 68 13.902 3.402 -29.690 559 HD3 LYS 68 3HD LYS 68 14.899 4.285 -28.532 560 HE2 LYS 68 2HE LYS 68 14.371 2.885 -26.803 561 HE3 LYS 68 3HE LYS 68 12.790 2.480 -27.470 562 HZ1 LYS 68 3HZ LYS 68 15.051 1.588 -29.042 563 HZ2 LYS 68 1HZ LYS 68 13.627 0.773 -28.632 564 HZ3 LYS 68 2HZ LYS 68 14.905 0.849 -27.528 565 H GLN 69 H GLN 69 11.233 7.146 -24.947 566 HA GLN 69 HA GLN 69 13.381 8.697 -23.776 567 HB2 GLN 69 2HB GLN 69 10.516 9.090 -24.333 568 HB3 GLN 69 3HB GLN 69 11.088 9.850 -22.853 569 HG2 GLN 69 2HG GLN 69 12.152 10.282 -25.634 570 HG3 GLN 69 3HG GLN 69 11.214 11.418 -24.664 571 HE21 GLN 69 1HE2 GLN 69 12.201 12.150 -22.645 572 HE22 GLN 69 2HE2 GLN 69 13.916 12.345 -22.583 573 H THR 70 H THR 70 11.161 6.256 -22.814 574 HA THR 70 HA THR 70 11.427 6.854 -19.978 575 HB THR 70 HB THR 70 10.169 4.310 -20.828 576 HG1 THR 70 HG1 THR 70 8.851 5.239 -22.184 577 HG21 THR 70 3HG2 THR 70 10.107 4.978 -18.506 578 HG22 THR 70 1HG2 THR 70 8.476 5.053 -19.171 579 HG23 THR 70 2HG2 THR 70 9.403 6.536 -18.936 580 H GLU 71 H GLU 71 12.373 4.332 -22.281 581 HA GLU 71 HA GLU 71 13.584 2.575 -20.479 582 HB2 GLU 71 2HB GLU 71 13.072 2.142 -22.911 583 HB3 GLU 71 3HB GLU 71 14.501 3.086 -23.310 584 HG2 GLU 71 2HG GLU 71 15.809 1.475 -21.869 585 HG3 GLU 71 3HG GLU 71 14.361 0.470 -21.847 586 H LYS 72 H LYS 72 15.226 4.936 -22.594 587 HA LYS 72 HA LYS 72 17.734 4.701 -21.340 588 HB2 LYS 72 2HB LYS 72 16.736 7.148 -22.793 589 HB3 LYS 72 3HB LYS 72 18.398 6.598 -22.627 590 HG2 LYS 72 2HG LYS 72 16.234 5.188 -24.176 591 HG3 LYS 72 3HG LYS 72 17.518 6.184 -24.866 592 HD2 LYS 72 2HD LYS 72 19.194 4.648 -24.189 593 HD3 LYS 72 3HD LYS 72 18.065 3.764 -23.160 594 HE2 LYS 72 2HE LYS 72 18.598 2.624 -25.311 595 HE3 LYS 72 3HE LYS 72 16.880 2.930 -25.062 596 HZ1 LYS 72 3HZ LYS 72 17.979 3.476 -27.330 597 HZ2 LYS 72 1HZ LYS 72 18.492 4.886 -26.550 598 HZ3 LYS 72 2HZ LYS 72 16.841 4.542 -26.674 599 H TYR 73 H TYR 73 14.880 6.247 -20.342 600 HA TYR 73 HA TYR 73 15.849 8.441 -18.907 601 HB2 TYR 73 2HB TYR 73 13.375 7.292 -19.328 602 HB3 TYR 73 3HB TYR 73 13.626 7.055 -17.602 603 HD1 TYR 73 HD1 TYR 73 14.330 9.822 -20.025 604 HD2 TYR 73 HD2 TYR 73 12.578 8.656 -16.328 605 HE1 TYR 73 HE1 TYR 73 13.660 12.153 -19.615 606 HE2 TYR 73 HE2 TYR 73 11.901 10.983 -15.907 607 HH TYR 73 HH TYR 73 11.994 13.085 -16.620 608 H PHE 74 H PHE 74 14.814 5.340 -17.478 609 HA PHE 74 HA PHE 74 16.563 5.839 -15.200 610 HB2 PHE 74 2HB PHE 74 14.361 5.141 -14.595 611 HB3 PHE 74 3HB PHE 74 14.407 3.793 -15.726 612 HD1 PHE 74 HD2 PHE 74 16.925 4.899 -13.223 613 HD2 PHE 74 HD1 PHE 74 14.173 1.888 -14.437 614 HE1 PHE 74 HE2 PHE 74 17.747 3.429 -11.429 615 HE2 PHE 74 HE1 PHE 74 14.989 0.414 -12.645 616 HZ PHE 74 HZ PHE 74 16.779 1.183 -11.138 617 H PHE 75 H PHE 75 15.954 3.253 -17.568 618 HA PHE 75 HA PHE 75 18.132 1.639 -16.767 619 HB2 PHE 75 2HB PHE 75 16.851 1.702 -19.503 620 HB3 PHE 75 3HB PHE 75 17.714 0.359 -18.760 621 HD1 PHE 75 HD2 PHE 75 16.484 0.542 -16.014 622 HD2 PHE 75 HD1 PHE 75 14.771 0.694 -19.907 623 HE1 PHE 75 HE2 PHE 75 14.364 -0.319 -15.111 624 HE2 PHE 75 HE1 PHE 75 12.648 -0.167 -19.010 625 HZ PHE 75 HZ PHE 75 12.443 -0.676 -16.609 626 H GLY 76 H GLY 76 17.815 4.290 -19.035 627 HA2 GLY 76 2HA GLY 76 19.349 5.289 -20.448 628 HA3 GLY 76 3HA GLY 76 20.376 5.175 -19.027 629 H GLU 77 H GLU 77 19.149 2.487 -20.958 630 HA GLU 77 HA GLU 77 21.636 1.198 -21.100 631 HB2 GLU 77 2HB GLU 77 20.559 -0.214 -22.852 632 HB3 GLU 77 3HB GLU 77 19.617 -0.070 -21.375 633 HG2 GLU 77 2HG GLU 77 17.944 1.060 -22.383 634 HG3 GLU 77 3HG GLU 77 19.027 1.885 -23.504 635 H GLY 78 H GLY 78 20.373 3.814 -22.893 636 HA2 GLY 78 2HA GLY 78 22.727 3.727 -24.644 637 HA3 GLY 78 3HA GLY 78 21.140 3.887 -25.382 638 H ALA 79 H ALA 79 22.330 5.361 -22.391 639 HA ALA 79 HA ALA 79 22.679 7.942 -23.607 640 HB1 ALA 79 1HB ALA 79 20.352 8.152 -23.532 641 HB2 ALA 79 2HB ALA 79 20.240 7.359 -21.960 642 HB3 ALA 79 3HB ALA 79 20.910 8.986 -22.081 643 H ASP 80 H ASP 80 22.919 9.650 -21.750 644 HA ASP 80 HA ASP 80 24.942 8.616 -19.988 645 HB2 ASP 80 2HB ASP 80 25.291 10.933 -19.338 646 HB3 ASP 80 3HB ASP 80 25.163 10.821 -21.091 647 H GLN 81 H GLN 81 24.758 8.087 -17.901 648 HA GLN 81 HA GLN 81 22.168 7.969 -16.695 649 HB2 GLN 81 2HB GLN 81 24.918 7.106 -15.960 650 HB3 GLN 81 3HB GLN 81 23.757 7.307 -14.655 651 HG2 GLN 81 2HG GLN 81 22.977 5.716 -17.045 652 HG3 GLN 81 3HG GLN 81 24.060 5.002 -15.852 653 HE21 GLN 81 1HE2 GLN 81 21.281 4.357 -16.613 654 HE22 GLN 81 2HE2 GLN 81 20.377 4.416 -15.142 655 H ALA 82 H ALA 82 21.914 8.710 -14.350 656 HA ALA 82 HA ALA 82 23.346 10.934 -13.378 657 HB1 ALA 82 1HB ALA 82 21.309 11.520 -15.351 658 HB2 ALA 82 2HB ALA 82 20.990 12.324 -13.813 659 HB3 ALA 82 3HB ALA 82 22.528 12.577 -14.638 660 H SER 83 H SER 83 23.060 10.817 -11.258 661 HA SER 83 HA SER 83 20.401 10.455 -10.145 662 HB2 SER 83 2HB SER 83 21.534 8.156 -10.520 663 HB3 SER 83 3HB SER 83 22.576 8.615 -9.174 664 HG SER 83 HG SER 83 20.727 7.437 -8.492 665 H GLY 84 H GLY 84 20.236 11.072 -7.947 666 HA2 GLY 84 2HA GLY 84 22.514 11.897 -6.432 667 HA3 GLY 84 3HA GLY 84 21.692 13.271 -7.158 668 H TYR 85 H TYR 85 21.479 13.808 -4.806 669 HA TYR 85 HA TYR 85 19.851 12.333 -3.066 670 HB2 TYR 85 2HB TYR 85 21.379 14.485 -2.723 671 HB3 TYR 85 3HB TYR 85 19.834 15.309 -2.899 672 HD1 TYR 85 HD2 TYR 85 20.933 12.178 -1.167 673 HD2 TYR 85 HD1 TYR 85 18.986 15.948 -0.857 674 HE1 TYR 85 HE2 TYR 85 20.423 11.714 1.194 675 HE2 TYR 85 HE1 TYR 85 18.472 15.495 1.505 676 HH TYR 85 HH TYR 85 18.261 13.667 3.026 677 H VAL 86 H VAL 86 17.739 13.344 -2.165 678 HA VAL 86 HA VAL 86 16.015 14.721 -3.952 679 HB VAL 86 HB VAL 86 16.002 12.615 -5.167 680 HG11 VAL 86 1HG1 VAL 86 16.061 10.621 -4.184 681 HG12 VAL 86 2HG1 VAL 86 16.201 11.459 -2.637 682 HG13 VAL 86 3HG1 VAL 86 14.614 10.978 -3.241 683 HG21 VAL 86 3HG2 VAL 86 13.465 13.160 -3.632 684 HG22 VAL 86 1HG2 VAL 86 13.944 13.845 -5.185 685 HG23 VAL 86 2HG2 VAL 86 13.561 12.128 -5.058 686 HA PRO 87 HA PRO 87 14.149 15.344 0.010 687 HB2 PRO 87 2HB PRO 87 11.979 16.735 -0.842 688 HB3 PRO 87 3HB PRO 87 13.599 17.438 -0.761 689 HG2 PRO 87 2HG PRO 87 12.133 16.326 -3.122 690 HG3 PRO 87 3HG PRO 87 13.112 17.799 -3.006 691 HD2 PRO 87 2HD PRO 87 14.059 15.503 -4.084 692 HD3 PRO 87 3HD PRO 87 15.098 16.647 -3.210 693 HA PRO 88 HA PRO 88 10.983 12.351 0.601 694 HB2 PRO 88 2HB PRO 88 9.357 13.546 2.417 695 HB3 PRO 88 3HB PRO 88 10.964 12.934 2.823 696 HG2 PRO 88 2HG PRO 88 10.101 15.736 2.216 697 HG3 PRO 88 3HG PRO 88 11.196 15.152 3.483 698 HD2 PRO 88 2HD PRO 88 12.092 16.254 1.178 699 HD3 PRO 88 3HD PRO 88 12.982 14.980 2.037 700 H ALA 89 H ALA 89 8.378 12.380 1.003 701 HA ALA 89 HA ALA 89 7.025 14.230 -0.766 702 HB1 ALA 89 1HB ALA 89 7.817 11.568 -1.643 703 HB2 ALA 89 2HB ALA 89 6.086 11.868 -1.810 704 HB3 ALA 89 3HB ALA 89 7.247 12.949 -2.581 705 H GLN 90 H GLN 90 5.067 14.645 0.025 706 HA GLN 90 HA GLN 90 4.092 13.328 2.334 707 HB2 GLN 90 2HB GLN 90 3.667 15.726 1.721 708 HB3 GLN 90 3HB GLN 90 2.547 15.154 0.491 709 HG2 GLN 90 2HG GLN 90 1.180 14.105 2.222 710 HG3 GLN 90 3HG GLN 90 2.301 14.684 3.454 711 HE21 GLN 90 1HE2 GLN 90 2.012 16.652 4.278 712 HE22 GLN 90 2HE2 GLN 90 0.874 17.817 3.700 713 H GLY 91 H GLY 91 3.433 12.998 -1.088 714 HA2 GLY 91 2HA GLY 91 2.669 10.859 -1.915 715 HA3 GLY 91 3HA GLY 91 1.712 10.691 -0.450 Start of MODEL 20 1 H1 MET 1 H MET 1 -1.807 -0.674 0.141 2 HA MET 1 HA MET 1 0.673 0.793 -0.481 3 HB2 MET 1 2HB MET 1 0.522 -1.076 1.407 4 HB3 MET 1 3HB MET 1 0.735 -2.142 0.025 5 HG2 MET 1 2HG MET 1 2.772 -0.823 -0.571 6 HG3 MET 1 3HG MET 1 2.588 0.031 0.959 7 HE1 MET 1 3HE MET 1 2.632 -3.181 -0.789 8 HE2 MET 1 1HE MET 1 4.196 -3.799 -0.255 9 HE3 MET 1 2HE MET 1 2.713 -4.386 0.497 10 H ALA 2 H ALA 2 0.755 1.073 -2.617 11 HA ALA 2 HA ALA 2 -0.545 -0.584 -4.507 12 HB1 ALA 2 1HB ALA 2 1.529 1.573 -4.754 13 HB2 ALA 2 2HB ALA 2 0.923 0.691 -6.157 14 HB3 ALA 2 3HB ALA 2 -0.185 1.638 -5.164 15 H ARG 3 H ARG 3 2.954 0.044 -4.465 16 HA ARG 3 HA ARG 3 3.523 -2.806 -4.496 17 HB2 ARG 3 2HB ARG 3 3.216 -1.522 -6.910 18 HB3 ARG 3 3HB ARG 3 4.952 -1.420 -6.646 19 HG2 ARG 3 2HG ARG 3 4.749 -3.397 -7.805 20 HG3 ARG 3 3HG ARG 3 4.766 -3.954 -6.131 21 HD2 ARG 3 2HD ARG 3 2.278 -3.963 -6.176 22 HD3 ARG 3 3HD ARG 3 2.351 -3.567 -7.892 23 HE ARG 3 HE ARG 3 3.870 -5.797 -7.706 24 HH11 ARG 3 1HH1 ARG 3 0.649 -4.999 -6.653 25 HH12 ARG 3 2HH1 ARG 3 0.055 -6.619 -6.812 26 HH21 ARG 3 1HH2 ARG 3 3.100 -7.934 -7.919 27 HH22 ARG 3 2HH2 ARG 3 1.450 -8.288 -7.531 28 H MET 4 H MET 4 6.097 -2.944 -4.997 29 HA MET 4 HA MET 4 7.438 -0.828 -3.469 30 HB2 MET 4 2HB MET 4 7.979 -3.752 -2.972 31 HB3 MET 4 3HB MET 4 8.559 -2.374 -2.046 32 HG2 MET 4 2HG MET 4 5.962 -1.979 -1.715 33 HG3 MET 4 3HG MET 4 5.920 -3.716 -2.008 34 HE1 MET 4 3HE MET 4 8.377 -5.102 0.463 35 HE2 MET 4 1HE MET 4 6.659 -5.503 0.475 36 HE3 MET 4 2HE MET 4 7.495 -5.252 -1.058 37 H ILE 5 H ILE 5 8.665 -0.018 -5.082 38 HA ILE 5 HA ILE 5 10.691 -1.792 -6.220 39 HB ILE 5 HB ILE 5 10.395 -1.016 -8.463 40 HG12 ILE 5 2HG1 ILE 5 8.003 0.390 -8.553 41 HG13 ILE 5 3HG1 ILE 5 8.826 1.063 -7.150 42 HG21 ILE 5 1HG2 ILE 5 8.111 -1.854 -8.965 43 HG22 ILE 5 2HG2 ILE 5 9.030 -2.906 -7.889 44 HG23 ILE 5 3HG2 ILE 5 7.774 -1.855 -7.234 45 HD11 ILE 5 3HD1 ILE 5 9.439 2.401 -8.979 46 HD12 ILE 5 1HD1 ILE 5 10.835 1.376 -8.645 47 HD13 ILE 5 2HD1 ILE 5 9.766 0.998 -9.997 48 H HIS 6 H HIS 6 12.361 -0.451 -7.463 49 HA HIS 6 HA HIS 6 13.004 1.885 -5.819 50 HB2 HIS 6 2HB HIS 6 15.291 1.613 -6.895 51 HB3 HIS 6 3HB HIS 6 14.778 0.308 -5.830 52 HD1 HIS 6 HD1 HIS 6 14.132 -1.958 -6.967 53 HD2 HIS 6 HD2 HIS 6 15.682 0.906 -9.547 54 HE1 HIS 6 HE1 HIS 6 14.712 -3.197 -9.077 55 H CYS 7 H CYS 7 12.045 3.644 -6.682 56 HA CYS 7 HA CYS 7 11.358 4.189 -9.262 57 HB2 CYS 7 2HB CYS 7 10.961 5.592 -7.152 58 HB3 CYS 7 3HB CYS 7 12.527 6.322 -7.484 59 HG CYS 7 HG CYS 7 9.634 7.179 -8.653 60 H ALA 8 H ALA 8 12.498 4.132 -11.072 61 HA ALA 8 HA ALA 8 15.366 4.421 -11.058 62 HB1 ALA 8 1HB ALA 8 15.324 3.367 -13.041 63 HB2 ALA 8 2HB ALA 8 13.657 2.990 -12.602 64 HB3 ALA 8 3HB ALA 8 14.002 4.360 -13.657 65 H LYS 9 H LYS 9 12.949 6.620 -10.970 66 HA LYS 9 HA LYS 9 14.224 8.524 -12.796 67 HB2 LYS 9 2HB LYS 9 11.710 8.138 -12.788 68 HB3 LYS 9 3HB LYS 9 11.683 8.937 -11.222 69 HG2 LYS 9 2HG LYS 9 13.073 10.416 -13.343 70 HG3 LYS 9 3HG LYS 9 11.340 10.190 -13.592 71 HD2 LYS 9 2HD LYS 9 10.778 11.400 -11.708 72 HD3 LYS 9 3HD LYS 9 12.335 11.107 -10.929 73 HE2 LYS 9 2HE LYS 9 11.936 12.850 -13.357 74 HE3 LYS 9 3HE LYS 9 12.019 13.450 -11.701 75 HZ1 LYS 9 3HZ LYS 9 14.232 11.786 -12.197 76 HZ2 LYS 9 1HZ LYS 9 14.214 13.436 -11.822 77 HZ3 LYS 9 2HZ LYS 9 14.131 12.935 -13.436 78 H LEU 10 H LEU 10 14.107 7.687 -9.511 79 HA LEU 10 HA LEU 10 15.312 10.275 -8.783 80 HB2 LEU 10 2HB LEU 10 13.846 8.529 -6.836 81 HB3 LEU 10 3HB LEU 10 14.294 10.226 -6.672 82 HG LEU 10 HG LEU 10 12.309 9.381 -8.749 83 HD11 LEU 10 1HD1 LEU 10 11.866 8.638 -6.214 84 HD12 LEU 10 2HD1 LEU 10 10.586 9.171 -7.304 85 HD13 LEU 10 3HD1 LEU 10 11.279 10.299 -6.139 86 HD21 LEU 10 3HD2 LEU 10 12.258 11.892 -7.138 87 HD22 LEU 10 1HD2 LEU 10 11.703 11.598 -8.786 88 HD23 LEU 10 2HD2 LEU 10 13.429 11.723 -8.447 89 H GLY 11 H GLY 11 15.062 6.891 -7.665 90 HA2 GLY 11 2HA GLY 11 17.201 5.616 -7.717 91 HA3 GLY 11 3HA GLY 11 17.936 7.037 -6.989 92 H LYS 12 H LYS 12 14.808 6.430 -5.843 93 HA LYS 12 HA LYS 12 15.902 5.088 -3.457 94 HB2 LYS 12 2HB LYS 12 13.569 7.003 -3.482 95 HB3 LYS 12 3HB LYS 12 14.389 6.337 -2.076 96 HG2 LYS 12 2HG LYS 12 15.731 8.091 -2.041 97 HG3 LYS 12 3HG LYS 12 16.339 7.655 -3.640 98 HD2 LYS 12 2HD LYS 12 15.538 9.880 -3.807 99 HD3 LYS 12 3HD LYS 12 14.337 8.857 -4.598 100 HE2 LYS 12 2HE LYS 12 13.268 10.534 -3.187 101 HE3 LYS 12 3HE LYS 12 12.961 8.907 -2.580 102 HZ1 LYS 12 3HZ LYS 12 14.225 9.253 -0.742 103 HZ2 LYS 12 1HZ LYS 12 13.727 10.849 -1.003 104 HZ3 LYS 12 2HZ LYS 12 15.264 10.350 -1.502 105 H GLU 13 H GLU 13 13.580 4.542 -2.123 106 HA GLU 13 HA GLU 13 12.373 2.523 -3.873 107 HB2 GLU 13 2HB GLU 13 12.880 2.725 -0.951 108 HB3 GLU 13 3HB GLU 13 11.449 1.837 -1.456 109 HG2 GLU 13 2HG GLU 13 12.666 0.183 -2.480 110 HG3 GLU 13 3HG GLU 13 14.064 1.224 -2.740 111 H ALA 14 H ALA 14 10.525 3.096 -4.796 112 HA ALA 14 HA ALA 14 8.560 4.592 -3.187 113 HB1 ALA 14 1HB ALA 14 9.420 5.038 -6.019 114 HB2 ALA 14 2HB ALA 14 7.807 5.511 -5.481 115 HB3 ALA 14 3HB ALA 14 9.233 6.206 -4.711 116 H GLU 15 H GLU 15 6.306 4.418 -4.256 117 HA GLU 15 HA GLU 15 5.659 1.631 -4.382 118 HB2 GLU 15 2HB GLU 15 3.949 4.096 -4.754 119 HB3 GLU 15 3HB GLU 15 3.324 2.454 -4.691 120 HG2 GLU 15 2HG GLU 15 4.869 3.773 -2.472 121 HG3 GLU 15 3HG GLU 15 3.110 3.696 -2.562 122 H GLY 16 H GLY 16 5.719 0.403 -6.137 123 HA2 GLY 16 2HA GLY 16 6.061 1.554 -8.751 124 HA3 GLY 16 3HA GLY 16 5.989 -0.159 -8.365 125 H LEU 17 H LEU 17 4.765 0.851 -10.624 126 HA LEU 17 HA LEU 17 2.006 1.422 -10.184 127 HB2 LEU 17 2HB LEU 17 3.150 0.316 -12.727 128 HB3 LEU 17 3HB LEU 17 1.767 1.389 -12.519 129 HG LEU 17 HG LEU 17 4.637 2.183 -12.032 130 HD11 LEU 17 1HD1 LEU 17 3.003 2.087 -14.472 131 HD12 LEU 17 2HD1 LEU 17 4.755 2.118 -14.274 132 HD13 LEU 17 3HD1 LEU 17 3.830 3.616 -14.177 133 HD21 LEU 17 3HD2 LEU 17 3.046 3.481 -10.737 134 HD22 LEU 17 1HD2 LEU 17 2.089 3.791 -12.186 135 HD23 LEU 17 2HD2 LEU 17 3.715 4.460 -12.044 136 H ASP 18 H ASP 18 0.622 -0.176 -11.911 137 HA ASP 18 HA ASP 18 1.044 -2.943 -11.089 138 HB2 ASP 18 2HB ASP 18 -0.455 -1.801 -9.394 139 HB3 ASP 18 3HB ASP 18 -1.637 -1.613 -10.686 140 H PHE 19 H PHE 19 1.305 -1.591 -13.605 141 HA PHE 19 HA PHE 19 0.044 -3.395 -15.307 142 HB2 PHE 19 2HB PHE 19 -1.796 -1.529 -14.426 143 HB3 PHE 19 3HB PHE 19 -1.284 -0.879 -15.979 144 HD1 PHE 19 HD2 PHE 19 -1.908 -4.335 -14.714 145 HD2 PHE 19 HD1 PHE 19 -2.829 -1.348 -17.603 146 HE1 PHE 19 HE2 PHE 19 -3.406 -5.912 -15.862 147 HE2 PHE 19 HE1 PHE 19 -4.329 -2.921 -18.756 148 HZ PHE 19 HZ PHE 19 -4.618 -5.207 -17.886 149 HA PRO 20 HA PRO 20 3.173 -1.665 -17.878 150 HB2 PRO 20 2HB PRO 20 2.450 -2.806 -20.233 151 HB3 PRO 20 3HB PRO 20 3.224 -3.709 -18.926 152 HG2 PRO 20 2HG PRO 20 0.327 -3.551 -19.662 153 HG3 PRO 20 3HG PRO 20 1.287 -4.967 -19.196 154 HD2 PRO 20 2HD PRO 20 -0.364 -3.694 -17.468 155 HD3 PRO 20 3HD PRO 20 1.137 -4.486 -16.947 156 HA PRO 21 HA PRO 21 1.285 1.942 -19.627 157 HB2 PRO 21 2HB PRO 21 3.480 2.911 -20.898 158 HB3 PRO 21 3HB PRO 21 3.261 3.012 -19.147 159 HG2 PRO 21 2HG PRO 21 4.863 1.052 -20.745 160 HG3 PRO 21 3HG PRO 21 5.290 1.880 -19.236 161 HD2 PRO 21 2HD PRO 21 4.416 -0.682 -19.294 162 HD3 PRO 21 3HD PRO 21 4.075 0.413 -17.939 163 H LEU 22 H LEU 22 3.013 -0.432 -21.537 164 HA LEU 22 HA LEU 22 1.189 0.050 -23.756 165 HB2 LEU 22 2HB LEU 22 2.793 1.320 -24.723 166 HB3 LEU 22 3HB LEU 22 4.094 0.574 -23.797 167 HG LEU 22 HG LEU 22 2.802 -1.033 -25.942 168 HD11 LEU 22 1HD1 LEU 22 4.783 0.093 -27.349 169 HD12 LEU 22 2HD1 LEU 22 4.300 1.475 -26.367 170 HD13 LEU 22 3HD1 LEU 22 3.116 0.667 -27.395 171 HD21 LEU 22 3HD2 LEU 22 4.548 -2.345 -25.547 172 HD22 LEU 22 1HD2 LEU 22 5.024 -1.262 -24.239 173 HD23 LEU 22 2HD2 LEU 22 5.667 -1.018 -25.863 174 HA PRO 23 HA PRO 23 1.212 -4.353 -23.853 175 HB2 PRO 23 2HB PRO 23 0.198 -4.722 -26.344 176 HB3 PRO 23 3HB PRO 23 -0.785 -4.186 -24.976 177 HG2 PRO 23 2HG PRO 23 0.439 -2.570 -27.179 178 HG3 PRO 23 3HG PRO 23 -1.181 -2.446 -26.467 179 HD2 PRO 23 2HD PRO 23 0.836 -0.766 -25.800 180 HD3 PRO 23 3HD PRO 23 -0.427 -1.247 -24.648 181 H GLY 24 H GLY 24 3.598 -4.398 -23.841 182 HA2 GLY 24 2HA GLY 24 4.578 -5.726 -26.210 183 HA3 GLY 24 3HA GLY 24 5.345 -4.175 -25.902 184 H GLU 25 H GLU 25 7.319 -5.441 -25.718 185 HA GLU 25 HA GLU 25 7.558 -7.132 -23.362 186 HB2 GLU 25 2HB GLU 25 9.599 -6.382 -25.463 187 HB3 GLU 25 3HB GLU 25 9.852 -7.547 -24.171 188 HG2 GLU 25 2HG GLU 25 8.015 -7.761 -26.531 189 HG3 GLU 25 3HG GLU 25 9.372 -8.799 -26.099 190 H LEU 26 H LEU 26 8.289 -3.914 -24.391 191 HA LEU 26 HA LEU 26 10.207 -3.402 -22.298 192 HB2 LEU 26 2HB LEU 26 10.540 -2.175 -24.277 193 HB3 LEU 26 3HB LEU 26 8.847 -1.692 -24.356 194 HG LEU 26 HG LEU 26 9.148 -0.153 -22.530 195 HD11 LEU 26 1HD1 LEU 26 10.762 -1.504 -21.249 196 HD12 LEU 26 2HD1 LEU 26 11.271 0.175 -21.427 197 HD13 LEU 26 3HD1 LEU 26 12.014 -1.081 -22.418 198 HD21 LEU 26 3HD2 LEU 26 10.339 1.474 -23.656 199 HD22 LEU 26 1HD2 LEU 26 9.934 0.352 -24.955 200 HD23 LEU 26 2HD2 LEU 26 11.548 0.332 -24.244 201 H GLY 27 H GLY 27 6.843 -2.476 -22.986 202 HA2 GLY 27 2HA GLY 27 6.351 -0.831 -20.822 203 HA3 GLY 27 3HA GLY 27 5.141 -1.863 -21.570 204 H LYS 28 H LYS 28 6.122 -4.372 -20.945 205 HA LYS 28 HA LYS 28 5.094 -4.812 -18.402 206 HB2 LYS 28 2HB LYS 28 5.590 -6.471 -20.339 207 HB3 LYS 28 3HB LYS 28 7.173 -6.626 -19.589 208 HG2 LYS 28 2HG LYS 28 6.137 -7.365 -17.516 209 HG3 LYS 28 3HG LYS 28 4.537 -7.172 -18.237 210 HD2 LYS 28 2HD LYS 28 5.219 -8.832 -19.983 211 HD3 LYS 28 3HD LYS 28 6.695 -9.112 -19.057 212 HE2 LYS 28 2HE LYS 28 3.998 -9.356 -17.774 213 HE3 LYS 28 3HE LYS 28 4.678 -10.689 -18.705 214 HZ1 LYS 28 3HZ LYS 28 5.714 -11.260 -16.841 215 HZ2 LYS 28 1HZ LYS 28 5.330 -9.803 -16.071 216 HZ3 LYS 28 2HZ LYS 28 6.705 -9.906 -17.050 217 H ARG 29 H ARG 29 8.268 -3.836 -19.377 218 HA ARG 29 HA ARG 29 9.412 -4.432 -16.762 219 HB2 ARG 29 2HB ARG 29 10.659 -3.201 -19.227 220 HB3 ARG 29 3HB ARG 29 11.522 -3.616 -17.752 221 HG2 ARG 29 2HG ARG 29 10.734 -5.996 -18.130 222 HG3 ARG 29 3HG ARG 29 10.249 -5.465 -19.742 223 HD2 ARG 29 2HD ARG 29 12.462 -4.965 -20.358 224 HD3 ARG 29 3HD ARG 29 13.024 -5.014 -18.688 225 HE ARG 29 HE ARG 29 11.996 -7.534 -19.439 226 HH11 ARG 29 1HH1 ARG 29 14.730 -5.442 -19.957 227 HH12 ARG 29 2HH1 ARG 29 15.828 -6.742 -20.285 228 HH21 ARG 29 1HH2 ARG 29 13.431 -9.254 -19.868 229 HH22 ARG 29 2HH2 ARG 29 15.088 -8.909 -20.235 230 H LEU 30 H LEU 30 7.945 -1.844 -18.445 231 HA LEU 30 HA LEU 30 9.208 0.343 -17.179 232 HB2 LEU 30 2HB LEU 30 6.910 -0.108 -18.901 233 HB3 LEU 30 3HB LEU 30 6.628 1.172 -17.722 234 HG LEU 30 HG LEU 30 7.408 2.198 -19.717 235 HD11 LEU 30 1HD1 LEU 30 8.721 3.586 -18.591 236 HD12 LEU 30 2HD1 LEU 30 10.013 2.389 -18.515 237 HD13 LEU 30 3HD1 LEU 30 8.755 2.408 -17.279 238 HD21 LEU 30 3HD2 LEU 30 8.403 0.157 -20.706 239 HD22 LEU 30 1HD2 LEU 30 9.792 0.354 -19.637 240 HD23 LEU 30 2HD2 LEU 30 9.437 1.578 -20.856 241 H TYR 31 H TYR 31 6.073 -1.224 -16.519 242 HA TYR 31 HA TYR 31 5.460 0.250 -14.218 243 HB2 TYR 31 2HB TYR 31 3.641 -1.125 -14.010 244 HB3 TYR 31 3HB TYR 31 4.071 -1.492 -15.677 245 HD1 TYR 31 HD1 TYR 31 4.232 -2.715 -12.200 246 HD2 TYR 31 HD2 TYR 31 4.849 -3.660 -16.302 247 HE1 TYR 31 HE1 TYR 31 4.441 -5.095 -11.614 248 HE2 TYR 31 HE2 TYR 31 5.058 -6.043 -15.728 249 HH TYR 31 HH TYR 31 4.972 -7.562 -14.115 250 H GLU 32 H GLU 32 7.765 -2.211 -14.727 251 HA GLU 32 HA GLU 32 7.912 -2.931 -11.904 252 HB2 GLU 32 2HB GLU 32 9.659 -3.899 -14.169 253 HB3 GLU 32 3HB GLU 32 9.499 -4.614 -12.571 254 HG2 GLU 32 2HG GLU 32 7.273 -5.326 -13.030 255 HG3 GLU 32 3HG GLU 32 7.237 -4.421 -14.541 256 H SER 33 H SER 33 9.058 -0.509 -13.828 257 HA SER 33 HA SER 33 11.364 -0.074 -12.052 258 HB2 SER 33 2HB SER 33 12.811 0.275 -13.766 259 HB3 SER 33 3HB SER 33 11.666 -0.703 -14.682 260 HG SER 33 HG SER 33 10.620 1.352 -15.206 261 H VAL 34 H VAL 34 8.412 0.968 -12.843 262 HA VAL 34 HA VAL 34 9.092 3.818 -12.513 263 HB VAL 34 HB VAL 34 6.621 2.581 -13.733 264 HG11 VAL 34 1HG1 VAL 34 5.975 4.916 -14.244 265 HG12 VAL 34 2HG1 VAL 34 5.999 4.567 -12.514 266 HG13 VAL 34 3HG1 VAL 34 7.321 5.474 -13.251 267 HG21 VAL 34 3HG2 VAL 34 8.234 4.479 -15.279 268 HG22 VAL 34 1HG2 VAL 34 9.051 2.963 -14.898 269 HG23 VAL 34 2HG2 VAL 34 7.514 2.943 -15.762 270 H SER 35 H SER 35 8.087 5.013 -10.933 271 HA SER 35 HA SER 35 6.427 3.498 -9.025 272 HB2 SER 35 2HB SER 35 8.810 5.187 -8.621 273 HB3 SER 35 3HB SER 35 7.484 5.501 -7.502 274 HG SER 35 HG SER 35 9.231 3.566 -7.361 275 H LYS 36 H LYS 36 5.407 5.297 -7.428 276 HA LYS 36 HA LYS 36 3.438 6.605 -8.973 277 HB2 LYS 36 2HB LYS 36 3.368 5.767 -6.509 278 HB3 LYS 36 3HB LYS 36 4.031 7.351 -6.127 279 HG2 LYS 36 2HG LYS 36 2.122 8.461 -6.930 280 HG3 LYS 36 3HG LYS 36 1.528 7.015 -7.749 281 HD2 LYS 36 2HD LYS 36 0.202 7.200 -5.820 282 HD3 LYS 36 3HD LYS 36 1.397 5.962 -5.427 283 HE2 LYS 36 2HE LYS 36 1.376 7.308 -3.531 284 HE3 LYS 36 3HE LYS 36 2.766 7.905 -4.437 285 HZ1 LYS 36 3HZ LYS 36 0.932 9.511 -3.456 286 HZ2 LYS 36 1HZ LYS 36 0.194 9.186 -4.943 287 HZ3 LYS 36 2HZ LYS 36 1.746 9.857 -4.898 288 H GLN 37 H GLN 37 6.572 7.545 -7.967 289 HA GLN 37 HA GLN 37 6.090 10.385 -8.104 290 HB2 GLN 37 2HB GLN 37 7.880 9.133 -6.705 291 HB3 GLN 37 3HB GLN 37 8.807 9.111 -8.199 292 HG2 GLN 37 2HG GLN 37 9.390 10.980 -6.697 293 HG3 GLN 37 3HG GLN 37 8.840 11.500 -8.289 294 HE21 GLN 37 1HE2 GLN 37 8.122 13.494 -7.730 295 HE22 GLN 37 2HE2 GLN 37 6.790 13.776 -6.666 296 H ALA 38 H ALA 38 8.128 8.152 -10.002 297 HA ALA 38 HA ALA 38 8.625 9.975 -12.092 298 HB1 ALA 38 1HB ALA 38 8.649 6.987 -12.410 299 HB2 ALA 38 2HB ALA 38 9.641 8.190 -13.235 300 HB3 ALA 38 3HB ALA 38 9.906 7.852 -11.525 301 H TRP 39 H TRP 39 5.852 8.175 -11.303 302 HA TRP 39 HA TRP 39 4.716 7.515 -13.725 303 HB2 TRP 39 2HB TRP 39 3.633 6.883 -11.677 304 HB3 TRP 39 3HB TRP 39 3.412 8.567 -11.210 305 HD1 TRP 39 HD1 TRP 39 1.137 9.604 -11.794 306 HE1 TRP 39 HE1 TRP 39 -0.852 8.941 -13.287 307 HE3 TRP 39 HE3 TRP 39 3.164 5.500 -14.071 308 HZ2 TRP 39 HZ2 TRP 39 -1.479 6.943 -15.179 309 HZ3 TRP 39 HZ3 TRP 39 1.803 4.269 -15.710 310 HH2 TRP 39 HH2 TRP 39 -0.470 4.977 -16.251 311 H GLN 40 H GLN 40 5.053 10.666 -12.244 312 HA GLN 40 HA GLN 40 3.320 11.967 -14.150 313 HB2 GLN 40 2HB GLN 40 5.260 13.279 -12.249 314 HB3 GLN 40 3HB GLN 40 3.845 14.000 -13.004 315 HG2 GLN 40 2HG GLN 40 2.935 11.753 -11.583 316 HG3 GLN 40 3HG GLN 40 4.058 12.603 -10.523 317 HE21 GLN 40 1HE2 GLN 40 1.435 13.348 -12.797 318 HE22 GLN 40 2HE2 GLN 40 0.682 14.543 -11.801 319 H ASP 41 H ASP 41 6.811 11.890 -13.490 320 HA ASP 41 HA ASP 41 7.644 13.601 -15.519 321 HB2 ASP 41 2HB ASP 41 9.286 13.010 -13.952 322 HB3 ASP 41 3HB ASP 41 8.964 11.287 -14.127 323 H TRP 42 H TRP 42 6.591 10.290 -15.656 324 HA TRP 42 HA TRP 42 7.667 9.661 -18.207 325 HB2 TRP 42 2HB TRP 42 7.047 7.833 -16.824 326 HB3 TRP 42 3HB TRP 42 5.428 8.478 -16.570 327 HD1 TRP 42 HD1 TRP 42 3.868 6.750 -17.654 328 HE1 TRP 42 HE1 TRP 42 3.704 5.621 -19.962 329 HE3 TRP 42 HE3 TRP 42 8.204 8.497 -19.722 330 HZ2 TRP 42 HZ2 TRP 42 5.214 5.488 -22.343 331 HZ3 TRP 42 HZ3 TRP 42 8.772 7.822 -22.019 332 HH2 TRP 42 HH2 TRP 42 7.306 6.348 -23.301 333 H LEU 43 H LEU 43 4.732 11.224 -17.128 334 HA LEU 43 HA LEU 43 3.511 11.151 -19.749 335 HB2 LEU 43 2HB LEU 43 2.638 12.811 -17.401 336 HB3 LEU 43 3HB LEU 43 1.668 12.262 -18.767 337 HG LEU 43 HG LEU 43 2.850 10.317 -16.809 338 HD11 LEU 43 1HD1 LEU 43 0.696 12.233 -16.362 339 HD12 LEU 43 2HD1 LEU 43 1.587 11.236 -15.213 340 HD13 LEU 43 3HD1 LEU 43 0.219 10.556 -16.093 341 HD21 LEU 43 3HD2 LEU 43 0.754 9.070 -17.554 342 HD22 LEU 43 1HD2 LEU 43 2.055 9.237 -18.734 343 HD23 LEU 43 2HD2 LEU 43 0.634 10.276 -18.836 344 H LYS 44 H LYS 44 5.732 13.120 -18.099 345 HA LYS 44 HA LYS 44 5.119 15.639 -19.231 346 HB2 LYS 44 2HB LYS 44 7.385 14.436 -17.765 347 HB3 LYS 44 3HB LYS 44 7.789 15.805 -18.793 348 HG2 LYS 44 2HG LYS 44 5.571 15.900 -16.770 349 HG3 LYS 44 3HG LYS 44 7.241 16.323 -16.384 350 HD2 LYS 44 2HD LYS 44 7.195 18.230 -17.651 351 HD3 LYS 44 3HD LYS 44 5.980 17.592 -18.762 352 HE2 LYS 44 2HE LYS 44 4.255 17.880 -17.087 353 HE3 LYS 44 3HE LYS 44 5.452 18.412 -15.907 354 HZ1 LYS 44 3HZ LYS 44 5.821 20.391 -17.088 355 HZ2 LYS 44 1HZ LYS 44 4.139 20.207 -17.062 356 HZ3 LYS 44 2HZ LYS 44 5.008 19.836 -18.464 357 H GLN 45 H GLN 45 7.768 13.390 -20.053 358 HA GLN 45 HA GLN 45 8.407 14.714 -22.474 359 HB2 GLN 45 2HB GLN 45 9.888 12.865 -22.906 360 HB3 GLN 45 3HB GLN 45 9.983 13.272 -21.198 361 HG2 GLN 45 2HG GLN 45 9.752 11.078 -20.878 362 HG3 GLN 45 3HG GLN 45 8.042 11.377 -21.184 363 HE21 GLN 45 1HE2 GLN 45 11.047 10.257 -22.568 364 HE22 GLN 45 2HE2 GLN 45 10.344 9.396 -23.891 365 H GLN 46 H GLN 46 6.284 12.043 -21.664 366 HA GLN 46 HA GLN 46 5.826 10.916 -24.136 367 HB2 GLN 46 2HB GLN 46 4.482 10.993 -21.586 368 HB3 GLN 46 3HB GLN 46 3.307 11.038 -22.894 369 HG2 GLN 46 2HG GLN 46 4.361 9.028 -23.862 370 HG3 GLN 46 3HG GLN 46 5.444 8.963 -22.473 371 HE21 GLN 46 1HE2 GLN 46 3.046 7.355 -23.641 372 HE22 GLN 46 2HE2 GLN 46 2.124 6.980 -22.228 373 H THR 47 H THR 47 4.226 13.747 -22.710 374 HA THR 47 HA THR 47 2.649 14.227 -25.070 375 HB THR 47 HB THR 47 3.099 15.948 -22.624 376 HG1 THR 47 HG1 THR 47 1.953 13.984 -22.243 377 HG21 THR 47 3HG2 THR 47 1.398 16.307 -25.063 378 HG22 THR 47 1HG2 THR 47 2.401 17.486 -24.220 379 HG23 THR 47 2HG2 THR 47 0.874 16.960 -23.512 380 H MET 48 H MET 48 5.566 15.579 -23.613 381 HA MET 48 HA MET 48 5.883 17.814 -25.249 382 HB2 MET 48 2HB MET 48 7.562 16.233 -23.455 383 HB3 MET 48 3HB MET 48 8.466 16.953 -24.780 384 HG2 MET 48 2HG MET 48 6.636 18.492 -22.957 385 HG3 MET 48 3HG MET 48 8.374 18.330 -22.714 386 HE1 MET 48 3HE MET 48 6.459 21.665 -24.392 387 HE2 MET 48 1HE MET 48 6.298 20.613 -22.985 388 HE3 MET 48 2HE MET 48 7.706 21.664 -23.143 389 H LEU 49 H LEU 49 6.857 14.454 -25.750 390 HA LEU 49 HA LEU 49 8.267 14.941 -28.175 391 HB2 LEU 49 2HB LEU 49 7.315 12.561 -26.685 392 HB3 LEU 49 3HB LEU 49 7.675 12.354 -28.398 393 HG LEU 49 HG LEU 49 9.523 11.766 -26.776 394 HD11 LEU 49 1HD1 LEU 49 10.925 13.697 -28.309 395 HD12 LEU 49 2HD1 LEU 49 9.585 13.092 -29.281 396 HD13 LEU 49 3HD1 LEU 49 10.759 11.966 -28.601 397 HD21 LEU 49 3HD2 LEU 49 10.863 13.648 -25.932 398 HD22 LEU 49 1HD2 LEU 49 9.250 13.604 -25.219 399 HD23 LEU 49 2HD2 LEU 49 9.620 14.768 -26.492 400 H ILE 50 H ILE 50 4.994 13.799 -27.429 401 HA ILE 50 HA ILE 50 4.170 13.326 -30.072 402 HB ILE 50 HB ILE 50 2.563 14.070 -27.630 403 HG12 ILE 50 2HG1 ILE 50 2.627 11.394 -28.990 404 HG13 ILE 50 3HG1 ILE 50 3.904 11.844 -27.866 405 HG21 ILE 50 1HG2 ILE 50 1.269 14.718 -29.535 406 HG22 ILE 50 2HG2 ILE 50 1.629 13.202 -30.359 407 HG23 ILE 50 3HG2 ILE 50 0.612 13.202 -28.918 408 HD11 ILE 50 3HD1 ILE 50 2.615 11.103 -26.232 409 HD12 ILE 50 1HD1 ILE 50 1.521 12.448 -26.553 410 HD13 ILE 50 2HD1 ILE 50 1.254 10.889 -27.333 411 H ASN 51 H ASN 51 4.365 16.253 -28.177 412 HA ASN 51 HA ASN 51 2.886 17.794 -30.149 413 HB2 ASN 51 2HB ASN 51 4.126 18.442 -27.484 414 HB3 ASN 51 3HB ASN 51 3.570 19.717 -28.564 415 HD21 ASN 51 1HD2 ASN 51 2.333 16.549 -27.541 416 HD22 ASN 51 2HD2 ASN 51 0.762 17.117 -27.101 417 H GLU 52 H GLU 52 6.170 17.128 -29.218 418 HA GLU 52 HA GLU 52 7.294 19.313 -30.727 419 HB2 GLU 52 2HB GLU 52 8.420 18.456 -28.718 420 HB3 GLU 52 3HB GLU 52 8.624 16.893 -29.497 421 HG2 GLU 52 2HG GLU 52 10.110 17.825 -31.124 422 HG3 GLU 52 3HG GLU 52 9.794 19.459 -30.542 423 H ASN 53 H ASN 53 6.281 16.100 -31.361 424 HA ASN 53 HA ASN 53 7.620 16.182 -33.985 425 HB2 ASN 53 2HB ASN 53 6.837 13.772 -32.331 426 HB3 ASN 53 3HB ASN 53 7.472 13.695 -33.972 427 HD21 ASN 53 1HD2 ASN 53 8.202 14.638 -30.673 428 HD22 ASN 53 2HD2 ASN 53 9.919 14.518 -30.821 429 H ARG 54 H ARG 54 4.683 16.314 -32.369 430 HA ARG 54 HA ARG 54 2.503 16.245 -33.017 431 HB2 ARG 54 2HB ARG 54 3.831 16.756 -35.679 432 HB3 ARG 54 3HB ARG 54 2.086 16.763 -35.460 433 HG2 ARG 54 2HG ARG 54 3.835 18.502 -33.770 434 HG3 ARG 54 3HG ARG 54 3.371 18.995 -35.400 435 HD2 ARG 54 2HD ARG 54 0.986 18.630 -34.738 436 HD3 ARG 54 3HD ARG 54 1.545 18.366 -33.087 437 HE ARG 54 HE ARG 54 1.856 20.627 -32.862 438 HH11 ARG 54 1HH1 ARG 54 1.424 19.848 -36.228 439 HH12 ARG 54 2HH1 ARG 54 1.308 21.502 -36.730 440 HH21 ARG 54 1HH2 ARG 54 1.703 22.809 -33.511 441 HH22 ARG 54 2HH2 ARG 54 1.467 23.185 -35.184 442 H LEU 55 H LEU 55 3.699 13.751 -32.668 443 HA LEU 55 HA LEU 55 3.297 11.963 -34.806 444 HB2 LEU 55 2HB LEU 55 3.087 11.298 -31.879 445 HB3 LEU 55 3HB LEU 55 3.519 10.214 -33.199 446 HG LEU 55 HG LEU 55 5.251 12.568 -32.543 447 HD11 LEU 55 1HD1 LEU 55 5.857 9.922 -31.340 448 HD12 LEU 55 2HD1 LEU 55 4.665 10.947 -30.541 449 HD13 LEU 55 3HD1 LEU 55 6.304 11.542 -30.804 450 HD21 LEU 55 3HD2 LEU 55 6.923 10.673 -33.292 451 HD22 LEU 55 1HD2 LEU 55 6.037 11.634 -34.476 452 HD23 LEU 55 2HD2 LEU 55 5.475 10.016 -34.056 453 H ASN 56 H ASN 56 1.717 9.944 -34.118 454 HA ASN 56 HA ASN 56 -0.963 11.151 -33.903 455 HB2 ASN 56 2HB ASN 56 -0.382 10.195 -36.148 456 HB3 ASN 56 3HB ASN 56 -0.236 8.616 -35.383 457 HD21 ASN 56 1HD2 ASN 56 -2.535 11.323 -35.421 458 HD22 ASN 56 2HD2 ASN 56 -3.944 10.342 -35.614 459 H MET 57 H MET 57 -1.099 10.877 -31.660 460 HA MET 57 HA MET 57 -0.492 8.629 -30.181 461 HB2 MET 57 2HB MET 57 -2.818 10.511 -29.750 462 HB3 MET 57 3HB MET 57 -2.136 9.432 -28.541 463 HG2 MET 57 2HG MET 57 0.056 10.671 -28.912 464 HG3 MET 57 3HG MET 57 -0.906 11.872 -29.770 465 HE1 MET 57 3HE MET 57 -1.420 14.144 -28.190 466 HE2 MET 57 1HE MET 57 -2.702 13.174 -28.915 467 HE3 MET 57 2HE MET 57 -2.853 13.729 -27.248 468 H ALA 58 H ALA 58 -3.173 9.186 -32.322 469 HA ALA 58 HA ALA 58 -5.039 7.345 -31.473 470 HB1 ALA 58 1HB ALA 58 -4.739 7.266 -34.354 471 HB2 ALA 58 2HB ALA 58 -6.067 7.887 -33.372 472 HB3 ALA 58 3HB ALA 58 -4.677 8.913 -33.727 473 H ASP 59 H ASP 59 -1.971 6.788 -33.037 474 HA ASP 59 HA ASP 59 -2.529 3.895 -33.051 475 HB2 ASP 59 2HB ASP 59 -0.834 5.616 -34.835 476 HB3 ASP 59 3HB ASP 59 -0.481 3.899 -34.661 477 HA PRO 60 HA PRO 60 0.612 3.189 -30.073 478 HB2 PRO 60 2HB PRO 60 1.672 0.840 -30.926 479 HB3 PRO 60 3HB PRO 60 0.070 0.959 -30.187 480 HG2 PRO 60 2HG PRO 60 0.813 0.793 -33.083 481 HG3 PRO 60 3HG PRO 60 -0.491 -0.036 -32.213 482 HD2 PRO 60 2HD PRO 60 -0.922 2.163 -33.732 483 HD3 PRO 60 3HD PRO 60 -1.876 1.805 -32.279 484 H ARG 61 H ARG 61 1.456 3.418 -33.422 485 HA ARG 61 HA ARG 61 4.191 3.090 -33.423 486 HB2 ARG 61 2HB ARG 61 2.472 5.038 -34.957 487 HB3 ARG 61 3HB ARG 61 4.188 4.821 -35.273 488 HG2 ARG 61 2HG ARG 61 3.543 3.280 -36.744 489 HG3 ARG 61 3HG ARG 61 3.252 2.251 -35.340 490 HD2 ARG 61 2HD ARG 61 0.998 2.463 -35.482 491 HD3 ARG 61 3HD ARG 61 1.085 4.117 -36.088 492 HE ARG 61 HE ARG 61 1.023 1.694 -37.647 493 HH11 ARG 61 1HH1 ARG 61 1.869 5.070 -37.596 494 HH12 ARG 61 2HH1 ARG 61 1.778 5.253 -39.316 495 HH21 ARG 61 1HH2 ARG 61 0.901 1.921 -39.913 496 HH22 ARG 61 2HH2 ARG 61 1.227 3.461 -40.633 497 H ALA 62 H ALA 62 2.358 6.032 -32.644 498 HA ALA 62 HA ALA 62 4.525 7.735 -32.199 499 HB1 ALA 62 1HB ALA 62 1.718 7.702 -31.142 500 HB2 ALA 62 2HB ALA 62 2.872 8.946 -30.659 501 HB3 ALA 62 3HB ALA 62 2.433 8.762 -32.357 502 H ARG 63 H ARG 63 3.049 5.317 -30.140 503 HA ARG 63 HA ARG 63 4.554 6.147 -27.808 504 HB2 ARG 63 2HB ARG 63 2.727 3.791 -28.299 505 HB3 ARG 63 3HB ARG 63 3.504 4.133 -26.759 506 HG2 ARG 63 2HG ARG 63 1.666 5.281 -26.262 507 HG3 ARG 63 3HG ARG 63 2.276 6.513 -27.368 508 HD2 ARG 63 2HD ARG 63 0.939 5.747 -29.135 509 HD3 ARG 63 3HD ARG 63 0.623 4.206 -28.340 510 HE ARG 63 HE ARG 63 -0.768 6.695 -27.926 511 HH11 ARG 63 1HH1 ARG 63 0.007 3.570 -26.602 512 HH12 ARG 63 2HH1 ARG 63 -1.371 3.528 -25.553 513 HH21 ARG 63 1HH2 ARG 63 -2.586 6.651 -26.550 514 HH22 ARG 63 2HH2 ARG 63 -2.846 5.281 -25.524 515 H GLN 64 H GLN 64 4.965 4.050 -30.479 516 HA GLN 64 HA GLN 64 6.873 2.314 -29.172 517 HB2 GLN 64 2HB GLN 64 5.358 1.533 -31.003 518 HB3 GLN 64 3HB GLN 64 6.250 2.559 -32.119 519 HG2 GLN 64 2HG GLN 64 8.314 1.282 -31.481 520 HG3 GLN 64 3HG GLN 64 7.263 0.163 -30.615 521 HE21 GLN 64 1HE2 GLN 64 8.275 1.331 -33.720 522 HE22 GLN 64 2HE2 GLN 64 7.546 0.078 -34.659 523 H TYR 65 H TYR 65 6.906 5.322 -30.790 524 HA TYR 65 HA TYR 65 9.729 5.143 -31.489 525 HB2 TYR 65 2HB TYR 65 8.979 6.457 -33.147 526 HB3 TYR 65 3HB TYR 65 7.474 6.793 -32.299 527 HD1 TYR 65 HD1 TYR 65 7.375 8.678 -30.670 528 HD2 TYR 65 HD2 TYR 65 10.765 8.026 -33.157 529 HE1 TYR 65 HE1 TYR 65 8.129 10.978 -30.234 530 HE2 TYR 65 HE2 TYR 65 11.529 10.324 -32.728 531 HH TYR 65 HH TYR 65 11.029 12.288 -31.801 532 H LEU 66 H LEU 66 7.606 6.756 -29.198 533 HA LEU 66 HA LEU 66 9.705 8.370 -28.072 534 HB2 LEU 66 2HB LEU 66 8.004 8.930 -26.360 535 HB3 LEU 66 3HB LEU 66 7.483 9.236 -28.015 536 HG LEU 66 HG LEU 66 6.333 6.917 -27.813 537 HD11 LEU 66 1HD1 LEU 66 7.484 7.132 -25.247 538 HD12 LEU 66 2HD1 LEU 66 6.409 5.876 -25.860 539 HD13 LEU 66 3HD1 LEU 66 5.738 7.293 -25.051 540 HD21 LEU 66 3HD2 LEU 66 4.460 8.118 -27.702 541 HD22 LEU 66 1HD2 LEU 66 5.497 9.528 -27.487 542 HD23 LEU 66 2HD2 LEU 66 4.833 8.699 -26.079 543 H MET 67 H MET 67 8.267 5.258 -27.444 544 HA MET 67 HA MET 67 9.056 4.850 -24.803 545 HB2 MET 67 2HB MET 67 8.210 3.188 -27.054 546 HB3 MET 67 3HB MET 67 9.322 2.361 -25.971 547 HG2 MET 67 2HG MET 67 7.675 3.395 -24.152 548 HG3 MET 67 3HG MET 67 6.556 3.290 -25.509 549 HE1 MET 67 3HE MET 67 7.347 1.914 -22.515 550 HE2 MET 67 1HE MET 67 5.714 1.416 -22.958 551 HE3 MET 67 2HE MET 67 6.938 0.200 -22.595 552 H LYS 68 H LYS 68 10.902 4.833 -27.742 553 HA LYS 68 HA LYS 68 13.143 3.373 -26.812 554 HB2 LYS 68 2HB LYS 68 13.003 5.498 -28.960 555 HB3 LYS 68 3HB LYS 68 14.326 4.363 -28.726 556 HG2 LYS 68 2HG LYS 68 11.581 3.291 -29.131 557 HG3 LYS 68 3HG LYS 68 12.464 3.931 -30.519 558 HD2 LYS 68 2HD LYS 68 13.162 1.758 -30.600 559 HD3 LYS 68 3HD LYS 68 14.396 2.416 -29.522 560 HE2 LYS 68 2HE LYS 68 13.433 1.465 -27.637 561 HE3 LYS 68 3HE LYS 68 11.855 1.297 -28.405 562 HZ1 LYS 68 3HZ LYS 68 12.716 -0.852 -28.334 563 HZ2 LYS 68 1HZ LYS 68 14.270 -0.363 -28.790 564 HZ3 LYS 68 2HZ LYS 68 13.016 -0.358 -29.924 565 H GLN 69 H GLN 69 12.085 6.635 -26.359 566 HA GLN 69 HA GLN 69 14.655 7.648 -25.550 567 HB2 GLN 69 2HB GLN 69 12.841 9.055 -26.569 568 HB3 GLN 69 3HB GLN 69 11.934 8.870 -25.074 569 HG2 GLN 69 2HG GLN 69 13.481 10.121 -23.845 570 HG3 GLN 69 3HG GLN 69 14.713 9.986 -25.098 571 HE21 GLN 69 1HE2 GLN 69 14.147 12.419 -24.070 572 HE22 GLN 69 2HE2 GLN 69 13.307 13.384 -25.231 573 H THR 70 H THR 70 12.106 5.920 -24.066 574 HA THR 70 HA THR 70 12.808 6.763 -21.371 575 HB THR 70 HB THR 70 10.989 4.460 -21.719 576 HG1 THR 70 HG1 THR 70 10.530 6.982 -22.894 577 HG21 THR 70 3HG2 THR 70 9.965 5.313 -19.859 578 HG22 THR 70 1HG2 THR 70 10.274 6.986 -20.319 579 HG23 THR 70 2HG2 THR 70 11.572 6.003 -19.642 580 H GLU 71 H GLU 71 12.933 3.832 -23.366 581 HA GLU 71 HA GLU 71 14.026 2.127 -21.422 582 HB2 GLU 71 2HB GLU 71 13.037 1.577 -23.751 583 HB3 GLU 71 3HB GLU 71 14.662 1.882 -24.348 584 HG2 GLU 71 2HG GLU 71 15.524 0.149 -22.834 585 HG3 GLU 71 3HG GLU 71 13.876 -0.179 -22.300 586 H LYS 72 H LYS 72 15.685 3.801 -24.101 587 HA LYS 72 HA LYS 72 18.288 3.138 -23.359 588 HB2 LYS 72 2HB LYS 72 17.024 5.171 -25.091 589 HB3 LYS 72 3HB LYS 72 18.649 5.553 -24.538 590 HG2 LYS 72 2HG LYS 72 17.918 2.968 -25.889 591 HG3 LYS 72 3HG LYS 72 18.521 4.389 -26.744 592 HD2 LYS 72 2HD LYS 72 19.977 2.993 -24.501 593 HD3 LYS 72 3HD LYS 72 20.287 2.723 -26.217 594 HE2 LYS 72 2HE LYS 72 20.499 5.384 -26.165 595 HE3 LYS 72 3HE LYS 72 20.959 5.041 -24.498 596 HZ1 LYS 72 3HZ LYS 72 22.830 3.925 -25.145 597 HZ2 LYS 72 1HZ LYS 72 22.738 5.079 -26.379 598 HZ3 LYS 72 2HZ LYS 72 22.208 3.497 -26.659 599 H TYR 73 H TYR 73 16.083 5.291 -21.896 600 HA TYR 73 HA TYR 73 17.903 7.129 -20.741 601 HB2 TYR 73 2HB TYR 73 15.349 7.327 -20.964 602 HB3 TYR 73 3HB TYR 73 15.270 6.341 -19.508 603 HD1 TYR 73 HD2 TYR 73 17.422 9.216 -20.563 604 HD2 TYR 73 HD1 TYR 73 14.722 7.632 -17.681 605 HE1 TYR 73 HE2 TYR 73 17.715 11.234 -19.188 606 HE2 TYR 73 HE1 TYR 73 15.006 9.646 -16.299 607 HH TYR 73 HH TYR 73 17.467 11.939 -16.876 608 H PHE 74 H PHE 74 15.992 4.698 -18.976 609 HA PHE 74 HA PHE 74 18.166 4.477 -17.035 610 HB2 PHE 74 2HB PHE 74 16.025 4.884 -16.040 611 HB3 PHE 74 3HB PHE 74 15.280 3.589 -16.971 612 HD1 PHE 74 HD1 PHE 74 18.164 4.002 -14.634 613 HD2 PHE 74 HD2 PHE 74 14.795 1.681 -15.808 614 HE1 PHE 74 HE1 PHE 74 18.607 2.432 -12.791 615 HE2 PHE 74 HE2 PHE 74 15.232 0.109 -13.967 616 HZ PHE 74 HZ PHE 74 17.139 0.484 -12.455 617 H PHE 75 H PHE 75 16.093 2.402 -19.039 618 HA PHE 75 HA PHE 75 17.427 -0.012 -18.366 619 HB2 PHE 75 2HB PHE 75 15.749 0.612 -20.805 620 HB3 PHE 75 3HB PHE 75 16.174 -0.995 -20.224 621 HD1 PHE 75 HD1 PHE 75 14.228 2.044 -19.470 622 HD2 PHE 75 HD2 PHE 75 14.961 -2.030 -18.479 623 HE1 PHE 75 HE1 PHE 75 12.208 2.026 -18.065 624 HE2 PHE 75 HE2 PHE 75 12.942 -2.055 -17.073 625 HZ PHE 75 HZ PHE 75 11.562 -0.025 -16.865 626 H GLY 76 H GLY 76 18.431 2.601 -20.169 627 HA2 GLY 76 2HA GLY 76 20.287 0.917 -21.737 628 HA3 GLY 76 3HA GLY 76 19.688 2.473 -22.293 629 H GLU 77 H GLU 77 20.909 4.210 -21.926 630 HA GLU 77 HA GLU 77 23.494 4.101 -21.000 631 HB2 GLU 77 2HB GLU 77 23.446 6.524 -20.887 632 HB3 GLU 77 3HB GLU 77 22.553 5.977 -22.299 633 HG2 GLU 77 2HG GLU 77 20.952 7.355 -21.611 634 HG3 GLU 77 3HG GLU 77 20.596 6.127 -20.398 635 H GLY 78 H GLY 78 20.543 4.484 -19.174 636 HA2 GLY 78 2HA GLY 78 20.192 4.199 -16.907 637 HA3 GLY 78 3HA GLY 78 21.909 3.875 -16.724 638 H ALA 79 H ALA 79 19.416 6.118 -16.256 639 HA ALA 79 HA ALA 79 21.379 8.119 -15.361 640 HB1 ALA 79 1HB ALA 79 18.962 8.529 -17.073 641 HB2 ALA 79 2HB ALA 79 19.540 9.822 -16.021 642 HB3 ALA 79 3HB ALA 79 20.596 9.164 -17.271 643 H ASP 80 H ASP 80 21.224 8.318 -13.234 644 HA ASP 80 HA ASP 80 18.613 8.651 -11.999 645 HB2 ASP 80 2HB ASP 80 20.458 6.357 -11.419 646 HB3 ASP 80 3HB ASP 80 19.429 7.004 -10.144 647 H GLN 81 H GLN 81 18.770 9.426 -9.763 648 HA GLN 81 HA GLN 81 21.377 10.598 -9.095 649 HB2 GLN 81 2HB GLN 81 20.099 12.683 -8.380 650 HB3 GLN 81 3HB GLN 81 20.297 12.432 -10.109 651 HG2 GLN 81 2HG GLN 81 17.838 11.382 -8.829 652 HG3 GLN 81 3HG GLN 81 17.984 13.125 -9.044 653 HE21 GLN 81 1HE2 GLN 81 18.312 13.931 -11.191 654 HE22 GLN 81 2HE2 GLN 81 17.722 13.041 -12.548 655 H ALA 82 H ALA 82 21.379 8.796 -7.578 656 HA ALA 82 HA ALA 82 19.446 8.507 -5.542 657 HB1 ALA 82 1HB ALA 82 22.145 7.701 -4.788 658 HB2 ALA 82 2HB ALA 82 20.672 6.741 -4.932 659 HB3 ALA 82 3HB ALA 82 21.643 7.086 -6.363 660 H SER 83 H SER 83 18.951 10.055 -4.132 661 HA SER 83 HA SER 83 20.936 11.087 -2.347 662 HB2 SER 83 2HB SER 83 19.937 12.763 -4.592 663 HB3 SER 83 3HB SER 83 20.066 13.534 -3.011 664 HG SER 83 HG SER 83 22.225 13.152 -2.992 665 H GLY 84 H GLY 84 20.032 11.501 -0.419 666 HA2 GLY 84 2HA GLY 84 18.394 12.227 1.088 667 HA3 GLY 84 3HA GLY 84 17.252 12.344 -0.243 668 H TYR 85 H TYR 85 16.874 11.142 2.381 669 HA TYR 85 HA TYR 85 16.117 8.449 1.482 670 HB2 TYR 85 2HB TYR 85 17.883 9.177 3.707 671 HB3 TYR 85 3HB TYR 85 16.574 8.097 4.172 672 HD1 TYR 85 HD2 TYR 85 16.324 5.900 2.971 673 HD2 TYR 85 HD1 TYR 85 19.743 8.384 2.482 674 HE1 TYR 85 HE2 TYR 85 17.579 3.985 2.073 675 HE2 TYR 85 HE1 TYR 85 21.008 6.476 1.582 676 HH TYR 85 HH TYR 85 21.003 4.278 1.202 677 H VAL 86 H VAL 86 14.565 7.454 3.203 678 HA VAL 86 HA VAL 86 12.527 7.502 4.215 679 HB VAL 86 HB VAL 86 13.161 10.360 4.952 680 HG11 VAL 86 1HG1 VAL 86 10.814 9.517 5.256 681 HG12 VAL 86 2HG1 VAL 86 11.459 8.346 6.408 682 HG13 VAL 86 3HG1 VAL 86 11.606 10.075 6.729 683 HG21 VAL 86 3HG2 VAL 86 14.999 9.286 5.829 684 HG22 VAL 86 1HG2 VAL 86 13.850 9.131 7.158 685 HG23 VAL 86 2HG2 VAL 86 14.132 7.770 6.073 686 HA PRO 87 HA PRO 87 10.824 9.728 0.506 687 HB2 PRO 87 2HB PRO 87 9.504 7.569 -0.477 688 HB3 PRO 87 3HB PRO 87 11.197 7.913 -0.853 689 HG2 PRO 87 2HG PRO 87 10.052 6.010 1.153 690 HG3 PRO 87 3HG PRO 87 11.406 5.774 0.033 691 HD2 PRO 87 2HD PRO 87 11.767 6.365 2.650 692 HD3 PRO 87 3HD PRO 87 12.887 6.910 1.385 693 HA PRO 88 HA PRO 88 6.802 10.419 2.143 694 HB2 PRO 88 2HB PRO 88 5.281 10.679 -0.090 695 HB3 PRO 88 3HB PRO 88 6.450 11.901 0.423 696 HG2 PRO 88 2HG PRO 88 6.733 9.762 -1.652 697 HG3 PRO 88 3HG PRO 88 7.238 11.461 -1.720 698 HD2 PRO 88 2HD PRO 88 8.969 9.446 -1.197 699 HD3 PRO 88 3HD PRO 88 9.156 11.069 -0.504 700 H ALA 89 H ALA 89 4.414 9.699 1.865 701 HA ALA 89 HA ALA 89 3.822 7.177 0.745 702 HB1 ALA 89 1HB ALA 89 3.728 5.772 2.680 703 HB2 ALA 89 2HB ALA 89 5.352 6.452 2.572 704 HB3 ALA 89 3HB ALA 89 4.197 7.107 3.733 705 H GLN 90 H GLN 90 1.759 6.241 2.014 706 HA GLN 90 HA GLN 90 0.037 8.534 2.682 707 HB2 GLN 90 2HB GLN 90 -0.769 6.131 1.035 708 HB3 GLN 90 3HB GLN 90 -1.799 7.491 1.462 709 HG2 GLN 90 2HG GLN 90 0.719 7.812 -0.139 710 HG3 GLN 90 3HG GLN 90 -0.845 7.471 -0.877 711 HE21 GLN 90 1HE2 GLN 90 -2.069 9.139 -1.400 712 HE22 GLN 90 2HE2 GLN 90 -1.879 10.755 -0.823 713 H GLY 91 H GLY 91 -1.378 8.269 4.352 714 HA2 GLY 91 2HA GLY 91 -1.039 5.813 5.921 715 HA3 GLY 91 3HA GLY 91 -1.645 7.347 6.526
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