NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
523265 | 2lki | 17995 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 -8.887 -9.663 -4.648 2 HA MET 1 HA MET 1 -7.142 -8.280 -5.441 3 HB2 MET 1 HB2 MET 1 -7.280 -7.193 -2.613 4 HB3 MET 1 HB1 MET 1 -5.788 -7.046 -3.538 5 HG2 MET 1 HG2 MET 1 -7.195 -5.021 -3.638 6 HG3 MET 1 HG1 MET 1 -6.884 -5.722 -5.221 7 HE1 MET 1 HE1 MET 1 -8.813 -7.157 -6.586 8 HE2 MET 1 HE2 MET 1 -8.783 -5.421 -6.903 9 HE3 MET 1 HE3 MET 1 -10.322 -6.244 -6.667 10 H GLN 2 HN GLN 2 -4.886 -8.860 -5.261 11 HA GLN 2 HA GLN 2 -4.420 -11.443 -3.929 12 HB2 GLN 2 HB2 GLN 2 -2.500 -9.960 -5.788 13 HB3 GLN 2 HB1 GLN 2 -2.479 -11.669 -5.358 14 HG2 GLN 2 HG2 GLN 2 -4.542 -10.275 -7.064 15 HG3 GLN 2 HG1 GLN 2 -3.241 -11.314 -7.640 16 HE21 GLN 2 HE21 GLN 2 -6.352 -11.221 -6.089 17 HE22 GLN 2 HE22 GLN 2 -6.682 -12.914 -6.183 18 H HIS 3 HN HIS 3 -2.981 -8.223 -4.266 19 HA HIS 3 HA HIS 3 -0.715 -8.968 -2.703 20 HB2 HIS 3 HB2 HIS 3 -1.461 -6.481 -4.235 21 HB3 HIS 3 HB1 HIS 3 -0.051 -6.489 -3.174 22 HD1 HIS 3 HD1 HIS 3 0.770 -9.510 -3.960 23 HD2 HIS 3 HD2 HIS 3 0.142 -6.314 -6.538 24 HE1 HIS 3 HE1 HIS 3 2.105 -10.014 -6.009 25 HE2 HIS 3 HE2 HIS 3 1.504 -8.195 -7.621 26 H LEU 4 HN LEU 4 -3.739 -7.729 -1.826 27 HA LEU 4 HA LEU 4 -3.253 -5.828 0.137 28 HB2 LEU 4 HB2 LEU 4 -5.418 -6.220 0.969 29 HB3 LEU 4 HB1 LEU 4 -5.523 -6.677 -0.718 30 HG LEU 4 HG LEU 4 -5.296 -8.644 1.603 31 HD11 LEU 4 HD11 LEU 4 -7.746 -7.919 -0.018 32 HD12 LEU 4 HD12 LEU 4 -7.448 -7.485 1.666 33 HD13 LEU 4 HD13 LEU 4 -7.651 -9.177 1.217 34 HD21 LEU 4 HD21 LEU 4 -5.852 -9.187 -1.330 35 HD22 LEU 4 HD22 LEU 4 -5.888 -10.386 -0.035 36 HD23 LEU 4 HD23 LEU 4 -4.374 -9.593 -0.458 37 H GLU 5 HN GLU 5 -2.771 -9.275 0.282 38 HA GLU 5 HA GLU 5 -2.613 -9.690 3.068 39 HB2 GLU 5 HB2 GLU 5 -3.000 -11.477 1.392 40 HB3 GLU 5 HB1 GLU 5 -1.377 -11.247 0.751 41 HG2 GLU 5 HG2 GLU 5 -1.408 -13.220 2.142 42 HG3 GLU 5 HG1 GLU 5 -0.439 -11.984 2.941 43 H ALA 6 HN ALA 6 -0.109 -9.244 0.574 44 HA ALA 6 HA ALA 6 2.096 -9.385 2.395 45 HB1 ALA 6 HB1 ALA 6 2.303 -10.054 0.046 46 HB2 ALA 6 HB2 ALA 6 3.477 -8.810 0.474 47 HB3 ALA 6 HB3 ALA 6 2.041 -8.384 -0.465 48 H VAL 7 HN VAL 7 0.126 -6.770 1.102 49 HA VAL 7 HA VAL 7 1.818 -4.603 1.843 50 HB VAL 7 HB VAL 7 -1.220 -4.650 1.432 51 HG11 VAL 7 HG11 VAL 7 -1.072 -2.188 1.253 52 HG12 VAL 7 HG12 VAL 7 0.646 -2.243 1.656 53 HG13 VAL 7 HG13 VAL 7 -0.560 -2.736 2.846 54 HG21 VAL 7 HG21 VAL 7 0.022 -5.204 -0.624 55 HG22 VAL 7 HG22 VAL 7 0.998 -3.743 -0.463 56 HG23 VAL 7 HG23 VAL 7 -0.739 -3.620 -0.768 57 H ARG 8 HN ARG 8 -0.953 -6.212 3.481 58 HA ARG 8 HA ARG 8 -0.859 -4.511 5.804 59 HB2 ARG 8 HB2 ARG 8 -2.515 -5.957 6.814 60 HB3 ARG 8 HB1 ARG 8 -2.947 -5.683 5.134 61 HG2 ARG 8 HG2 ARG 8 -2.010 -7.934 4.567 62 HG3 ARG 8 HG1 ARG 8 -1.719 -8.210 6.291 63 HD2 ARG 8 HD2 ARG 8 -4.183 -7.883 6.683 64 HD3 ARG 8 HD1 ARG 8 -4.404 -7.758 4.937 65 HE ARG 8 HE ARG 8 -3.167 -10.127 5.164 66 HH11 ARG 8 HH11 ARG 8 -5.951 -8.825 6.859 67 HH12 ARG 8 HH12 ARG 8 -6.696 -10.372 7.089 68 HH21 ARG 8 HH21 ARG 8 -4.157 -12.149 5.467 69 HH22 ARG 8 HH22 ARG 8 -5.672 -12.264 6.302 70 H ASN 9 HN ASN 9 0.687 -7.520 4.861 71 HA ASN 9 HA ASN 9 1.743 -8.327 7.344 72 HB2 ASN 9 HB2 ASN 9 1.717 -9.767 5.344 73 HB3 ASN 9 HB1 ASN 9 2.805 -8.666 4.506 74 HD21 ASN 9 HD21 ASN 9 4.383 -10.157 4.164 75 HD22 ASN 9 HD22 ASN 9 5.332 -10.873 5.409 76 H ILE 10 HN ILE 10 2.996 -6.238 4.753 77 HA ILE 10 HA ILE 10 5.457 -5.512 5.849 78 HB ILE 10 HB ILE 10 3.649 -4.122 3.843 79 HG12 ILE 10 HG12 ILE 10 6.374 -5.477 3.516 80 HG13 ILE 10 HG11 ILE 10 4.824 -6.202 3.111 81 HG21 ILE 10 HG21 ILE 10 5.530 -2.540 3.336 82 HG22 ILE 10 HG22 ILE 10 6.361 -3.126 4.783 83 HG23 ILE 10 HG23 ILE 10 4.813 -2.292 4.930 84 HD11 ILE 10 HD11 ILE 10 6.060 -3.796 1.786 85 HD12 ILE 10 HD12 ILE 10 4.480 -4.482 1.394 86 HD13 ILE 10 HD13 ILE 10 5.943 -5.429 1.130 87 H LEU 11 HN LEU 11 2.357 -3.703 5.975 88 HA LEU 11 HA LEU 11 3.341 -1.657 7.671 89 HB2 LEU 11 HB2 LEU 11 0.565 -2.547 6.870 90 HB3 LEU 11 HB1 LEU 11 0.755 -1.376 8.168 91 HG LEU 11 HG LEU 11 2.047 0.101 6.554 92 HD11 LEU 11 HD11 LEU 11 2.744 -1.559 4.906 93 HD12 LEU 11 HD12 LEU 11 1.844 -0.250 4.144 94 HD13 LEU 11 HD13 LEU 11 1.064 -1.811 4.422 95 HD21 LEU 11 HD21 LEU 11 0.057 0.967 5.396 96 HD22 LEU 11 HD22 LEU 11 -0.286 0.578 7.079 97 HD23 LEU 11 HD23 LEU 11 -0.826 -0.511 5.799 98 H GLY 12 HN GLY 12 1.851 -4.796 8.360 99 HA2 GLY 12 HA2 GLY 12 1.551 -4.504 11.165 100 HA3 GLY 12 HA1 GLY 12 1.645 -6.013 10.275 101 H ASP 13 HN ASP 13 4.328 -5.155 9.164 102 HA ASP 13 HA ASP 13 6.038 -5.993 11.357 103 HB2 ASP 13 HB2 ASP 13 6.359 -6.872 9.054 104 HB3 ASP 13 HB1 ASP 13 6.620 -5.241 8.457 105 H VAL 14 HN VAL 14 5.878 -3.190 9.173 106 HA VAL 14 HA VAL 14 8.016 -1.725 10.302 107 HB VAL 14 HB VAL 14 5.734 -0.801 8.489 108 HG11 VAL 14 HG11 VAL 14 7.169 1.127 7.885 109 HG12 VAL 14 HG12 VAL 14 8.347 0.623 9.099 110 HG13 VAL 14 HG13 VAL 14 6.737 1.141 9.597 111 HG21 VAL 14 HG21 VAL 14 7.097 -2.570 7.455 112 HG22 VAL 14 HG22 VAL 14 8.567 -1.644 7.761 113 HG23 VAL 14 HG23 VAL 14 7.354 -1.029 6.634 114 H LEU 15 HN LEU 15 4.493 -1.216 10.421 115 HA LEU 15 HA LEU 15 4.663 0.867 12.446 116 HB2 LEU 15 HB2 LEU 15 2.214 -0.561 11.361 117 HB3 LEU 15 HB1 LEU 15 2.230 0.942 12.266 118 HG LEU 15 HG LEU 15 3.334 0.551 9.459 119 HD11 LEU 15 HD11 LEU 15 0.865 2.053 10.371 120 HD12 LEU 15 HD12 LEU 15 0.880 0.501 9.526 121 HD13 LEU 15 HD13 LEU 15 1.479 1.948 8.718 122 HD21 LEU 15 HD21 LEU 15 3.176 3.086 11.119 123 HD22 LEU 15 HD22 LEU 15 3.649 2.994 9.420 124 HD23 LEU 15 HD23 LEU 15 4.652 2.230 10.652 125 H ASN 16 HN ASN 16 4.476 -2.531 12.333 126 HA ASN 16 HA ASN 16 4.579 -4.151 13.843 127 HB2 ASN 16 HB2 ASN 16 6.286 -2.589 14.873 128 HB3 ASN 16 HB1 ASN 16 5.022 -1.974 15.928 129 HD21 ASN 16 HD21 ASN 16 7.007 -4.741 15.146 130 HD22 ASN 16 HD22 ASN 16 6.787 -5.585 16.636 131 H LEU 17 HN LEU 17 2.188 -3.960 13.110 132 HA LEU 17 HA LEU 17 0.313 -3.689 15.330 133 HB2 LEU 17 HB2 LEU 17 -0.103 -4.647 12.475 134 HB3 LEU 17 HB1 LEU 17 -1.381 -4.566 13.670 135 HG LEU 17 HG LEU 17 -1.794 -2.598 12.542 136 HD11 LEU 17 HD11 LEU 17 0.273 -1.577 14.512 137 HD12 LEU 17 HD12 LEU 17 -1.390 -2.017 14.901 138 HD13 LEU 17 HD13 LEU 17 -1.073 -0.673 13.814 139 HD21 LEU 17 HD21 LEU 17 0.026 -2.794 10.919 140 HD22 LEU 17 HD22 LEU 17 1.172 -2.144 12.095 141 HD23 LEU 17 HD23 LEU 17 -0.141 -1.131 11.485 142 H GLY 18 HN GLY 18 2.212 -6.145 13.776 143 HA2 GLY 18 HA2 GLY 18 2.666 -8.305 14.314 144 HA3 GLY 18 HA1 GLY 18 1.844 -8.034 15.842 145 H GLU 19 HN GLU 19 -0.465 -8.363 15.924 146 HA GLU 19 HA GLU 19 -1.417 -10.421 14.042 147 HB2 GLU 19 HB2 GLU 19 -1.302 -10.919 16.514 148 HB3 GLU 19 HB1 GLU 19 -2.507 -9.666 16.790 149 HG2 GLU 19 HG2 GLU 19 -3.524 -11.884 16.834 150 HG3 GLU 19 HG1 GLU 19 -4.155 -10.949 15.481 151 H ARG 20 HN ARG 20 -2.024 -7.144 15.072 152 HA ARG 20 HA ARG 20 -4.785 -6.955 14.430 153 HB2 ARG 20 HB2 ARG 20 -3.300 -5.391 15.913 154 HB3 ARG 20 HB1 ARG 20 -2.914 -4.559 14.421 155 HG2 ARG 20 HG2 ARG 20 -5.783 -4.954 15.319 156 HG3 ARG 20 HG1 ARG 20 -4.810 -3.610 15.904 157 HD2 ARG 20 HD2 ARG 20 -4.577 -2.724 13.653 158 HD3 ARG 20 HD1 ARG 20 -5.375 -4.146 12.976 159 HE ARG 20 HE ARG 20 -7.414 -3.443 14.165 160 HH11 ARG 20 HH11 ARG 20 -4.990 -0.969 13.612 161 HH12 ARG 20 HH12 ARG 20 -6.141 0.324 13.618 162 HH21 ARG 20 HH21 ARG 20 -8.906 -1.750 14.178 163 HH22 ARG 20 HH22 ARG 20 -8.374 -0.118 13.932 164 H LYS 21 HN LYS 21 -1.892 -6.650 12.507 165 HA LYS 21 HA LYS 21 -2.863 -5.496 10.146 166 HB2 LYS 21 HB2 LYS 21 -0.998 -6.623 9.023 167 HB3 LYS 21 HB1 LYS 21 -0.479 -5.929 10.558 168 HG2 LYS 21 HG2 LYS 21 -0.389 -8.045 11.612 169 HG3 LYS 21 HG1 LYS 21 -1.300 -8.827 10.322 170 HD2 LYS 21 HD2 LYS 21 0.759 -8.168 8.824 171 HD3 LYS 21 HD1 LYS 21 1.603 -7.987 10.367 172 HE2 LYS 21 HE2 LYS 21 0.861 -10.319 10.952 173 HE3 LYS 21 HE1 LYS 21 0.206 -10.449 9.321 174 HZ1 LYS 21 HZ1 LYS 21 2.409 -10.166 8.428 175 HZ2 LYS 21 HZ2 LYS 21 2.397 -11.456 9.514 176 HZ3 LYS 21 HZ3 LYS 21 3.060 -9.982 9.973 177 H HIS 22 HN HIS 22 -3.277 -8.690 11.455 178 HA HIS 22 HA HIS 22 -4.031 -9.918 8.920 179 HB2 HIS 22 HB2 HIS 22 -2.401 -10.977 10.492 180 HB3 HIS 22 HB1 HIS 22 -3.676 -11.119 11.694 181 HD1 HIS 22 HD1 HIS 22 -4.320 -13.516 11.826 182 HD2 HIS 22 HD2 HIS 22 -3.552 -12.349 7.915 183 HE1 HIS 22 HE1 HIS 22 -4.789 -15.531 10.407 184 HE2 HIS 22 HE2 HIS 22 -4.108 -14.852 8.083 185 H THR 23 HN THR 23 -5.621 -8.399 11.525 186 HA THR 23 HA THR 23 -8.151 -9.881 11.124 187 HB THR 23 HB THR 23 -7.444 -9.417 13.481 188 HG1 THR 23 HG1 THR 23 -9.870 -8.917 12.374 189 HG21 THR 23 HG21 THR 23 -8.021 -6.503 12.841 190 HG22 THR 23 HG22 THR 23 -6.432 -7.174 13.194 191 HG23 THR 23 HG23 THR 23 -7.673 -7.168 14.443 192 H LEU 24 HN LEU 24 -6.619 -7.228 9.770 193 HA LEU 24 HA LEU 24 -9.162 -5.858 9.128 194 HB2 LEU 24 HB2 LEU 24 -7.806 -3.924 8.409 195 HB3 LEU 24 HB1 LEU 24 -7.559 -4.343 10.086 196 HG LEU 24 HG LEU 24 -5.385 -5.569 9.193 197 HD11 LEU 24 HD11 LEU 24 -5.838 -5.324 6.804 198 HD12 LEU 24 HD12 LEU 24 -4.341 -4.504 7.247 199 HD13 LEU 24 HD13 LEU 24 -5.809 -3.564 6.960 200 HD21 LEU 24 HD21 LEU 24 -4.061 -3.525 9.530 201 HD22 LEU 24 HD22 LEU 24 -5.332 -3.673 10.742 202 HD23 LEU 24 HD23 LEU 24 -5.525 -2.543 9.395 203 H THR 25 HN THR 25 -9.652 -5.397 6.952 204 HA THR 25 HA THR 25 -8.488 -7.304 4.999 205 HB THR 25 HB THR 25 -10.786 -7.319 3.943 206 HG1 THR 25 HG1 THR 25 -11.477 -5.866 6.301 207 HG21 THR 25 HG21 THR 25 -10.765 -8.232 6.847 208 HG22 THR 25 HG22 THR 25 -10.169 -9.162 5.469 209 HG23 THR 25 HG23 THR 25 -11.886 -8.774 5.599 210 H ALA 26 HN ALA 26 -9.602 -6.463 2.669 211 HA ALA 26 HA ALA 26 -7.939 -4.340 1.887 212 HB1 ALA 26 HB1 ALA 26 -10.344 -5.488 0.440 213 HB2 ALA 26 HB2 ALA 26 -8.685 -6.071 0.332 214 HB3 ALA 26 HB3 ALA 26 -9.092 -4.470 -0.282 215 H SER 27 HN SER 27 -11.506 -4.404 2.248 216 HA SER 27 HA SER 27 -11.872 -1.622 1.721 217 HB2 SER 27 HB2 SER 27 -13.738 -3.637 3.022 218 HB3 SER 27 HB1 SER 27 -14.211 -2.037 2.452 219 HG SER 27 HG SER 27 -13.797 -2.646 0.379 220 H SER 28 HN SER 28 -10.581 -3.106 4.461 221 HA SER 28 HA SER 28 -11.559 -1.274 6.459 222 HB2 SER 28 HB2 SER 28 -10.744 -3.525 7.087 223 HB3 SER 28 HB1 SER 28 -9.124 -3.101 6.541 224 HG SER 28 HG SER 28 -9.506 -2.864 8.845 225 H VAL 29 HN VAL 29 -10.283 0.298 7.512 226 HA VAL 29 HA VAL 29 -8.873 2.000 5.622 227 HB VAL 29 HB VAL 29 -9.854 2.452 8.483 228 HG11 VAL 29 HG11 VAL 29 -8.836 4.534 6.520 229 HG12 VAL 29 HG12 VAL 29 -8.021 4.004 7.991 230 HG13 VAL 29 HG13 VAL 29 -9.556 4.863 8.102 231 HG21 VAL 29 HG21 VAL 29 -11.701 2.067 6.920 232 HG22 VAL 29 HG22 VAL 29 -11.091 3.327 5.843 233 HG23 VAL 29 HG23 VAL 29 -11.686 3.750 7.451 234 H LEU 30 HN LEU 30 -6.773 2.842 6.008 235 HA LEU 30 HA LEU 30 -5.143 1.494 8.094 236 HB2 LEU 30 HB2 LEU 30 -4.233 2.633 5.423 237 HB3 LEU 30 HB1 LEU 30 -3.174 1.939 6.643 238 HG LEU 30 HG LEU 30 -5.322 0.417 5.101 239 HD11 LEU 30 HD11 LEU 30 -3.429 1.012 3.688 240 HD12 LEU 30 HD12 LEU 30 -3.461 -0.723 3.995 241 HD13 LEU 30 HD13 LEU 30 -2.310 0.300 4.851 242 HD21 LEU 30 HD21 LEU 30 -3.301 -0.656 7.108 243 HD22 LEU 30 HD22 LEU 30 -4.413 -1.623 6.135 244 HD23 LEU 30 HD23 LEU 30 -5.046 -0.528 7.361 245 H LEU 31 HN LEU 31 -4.979 4.520 6.154 246 HA LEU 31 HA LEU 31 -3.792 6.078 8.166 247 HB2 LEU 31 HB2 LEU 31 -4.082 6.448 5.561 248 HB3 LEU 31 HB1 LEU 31 -5.551 7.290 6.004 249 HG LEU 31 HG LEU 31 -2.795 8.066 7.040 250 HD11 LEU 31 HD11 LEU 31 -4.270 9.265 4.692 251 HD12 LEU 31 HD12 LEU 31 -2.811 8.275 4.605 252 HD13 LEU 31 HD13 LEU 31 -2.758 9.856 5.385 253 HD21 LEU 31 HD21 LEU 31 -5.386 9.638 7.039 254 HD22 LEU 31 HD22 LEU 31 -3.823 10.219 7.618 255 HD23 LEU 31 HD23 LEU 31 -4.631 8.891 8.448 256 H GLY 32 HN GLY 32 -4.688 6.504 10.101 257 HA2 GLY 32 HA2 GLY 32 -6.269 7.714 11.444 258 HA3 GLY 32 HA1 GLY 32 -7.541 7.294 10.310 259 H ASN 33 HN ASN 33 -6.958 4.510 10.054 260 HA ASN 33 HA ASN 33 -8.298 3.517 12.431 261 HB2 ASN 33 HB2 ASN 33 -8.822 2.678 10.129 262 HB3 ASN 33 HB1 ASN 33 -7.227 1.943 10.047 263 HD21 ASN 33 HD21 ASN 33 -8.040 -0.161 9.821 264 HD22 ASN 33 HD22 ASN 33 -8.859 -0.988 11.096 265 H ILE 34 HN ILE 34 -5.108 3.141 10.954 266 HA ILE 34 HA ILE 34 -4.045 1.557 13.137 267 HB ILE 34 HB ILE 34 -2.509 2.867 10.841 268 HG12 ILE 34 HG12 ILE 34 -4.174 1.306 9.895 269 HG13 ILE 34 HG11 ILE 34 -2.556 0.646 9.706 270 HG21 ILE 34 HG21 ILE 34 -1.008 2.302 12.627 271 HG22 ILE 34 HG22 ILE 34 -0.796 1.094 11.364 272 HG23 ILE 34 HG23 ILE 34 -1.725 0.703 12.813 273 HD11 ILE 34 HD11 ILE 34 -4.117 -1.085 10.304 274 HD12 ILE 34 HD12 ILE 34 -4.618 -0.202 11.742 275 HD13 ILE 34 HD13 ILE 34 -2.978 -0.850 11.632 276 HA PRO 35 HA PRO 35 -3.135 5.430 15.379 277 HB2 PRO 35 HB2 PRO 35 -1.965 4.309 17.591 278 HB3 PRO 35 HB1 PRO 35 -3.711 4.269 17.320 279 HG2 PRO 35 HG2 PRO 35 -1.668 2.119 16.793 280 HG3 PRO 35 HG1 PRO 35 -3.271 1.977 17.549 281 HD2 PRO 35 HD2 PRO 35 -2.802 1.341 14.932 282 HD3 PRO 35 HD1 PRO 35 -4.365 1.957 15.492 283 H GLU 36 HN GLU 36 -0.930 3.114 14.158 284 HA GLU 36 HA GLU 36 1.510 4.466 15.057 285 HB2 GLU 36 HB2 GLU 36 1.232 1.909 13.437 286 HB3 GLU 36 HB1 GLU 36 2.645 2.452 14.326 287 HG2 GLU 36 HG2 GLU 36 0.022 1.493 15.509 288 HG3 GLU 36 HG1 GLU 36 1.551 0.620 15.497 289 H LEU 37 HN LEU 37 -0.577 4.503 12.410 290 HA LEU 37 HA LEU 37 1.339 4.844 10.256 291 HB2 LEU 37 HB2 LEU 37 -1.025 3.837 10.083 292 HB3 LEU 37 HB1 LEU 37 -1.656 5.457 10.276 293 HG LEU 37 HG LEU 37 -1.667 4.595 7.905 294 HD11 LEU 37 HD11 LEU 37 -1.759 7.006 8.308 295 HD12 LEU 37 HD12 LEU 37 -0.902 6.629 6.818 296 HD13 LEU 37 HD13 LEU 37 0.005 7.094 8.259 297 HD21 LEU 37 HD21 LEU 37 0.420 3.327 7.928 298 HD22 LEU 37 HD22 LEU 37 1.354 4.817 8.073 299 HD23 LEU 37 HD23 LEU 37 0.416 4.494 6.611 300 H ASP 38 HN ASP 38 2.637 6.631 10.702 301 HA ASP 38 HA ASP 38 1.416 9.295 11.117 302 HB2 ASP 38 HB2 ASP 38 2.238 8.114 13.261 303 HB3 ASP 38 HB1 ASP 38 3.864 8.242 12.613 304 H SER 39 HN SER 39 3.840 10.752 11.187 305 HA SER 39 HA SER 39 4.145 11.437 8.539 306 HB2 SER 39 HB2 SER 39 4.463 12.909 10.479 307 HB3 SER 39 HB1 SER 39 5.898 11.996 10.959 308 H MET 40 HN MET 40 7.043 10.369 10.441 309 HA MET 40 HA MET 40 8.472 9.602 8.074 310 HB2 MET 40 HB2 MET 40 9.049 9.108 11.016 311 HB3 MET 40 HB1 MET 40 10.139 8.643 9.715 312 HG2 MET 40 HG2 MET 40 9.253 11.490 10.246 313 HG3 MET 40 HG1 MET 40 10.764 10.780 10.826 314 HE1 MET 40 HE1 MET 40 12.239 12.694 9.642 315 HE2 MET 40 HE2 MET 40 10.729 13.464 9.147 316 HE3 MET 40 HE3 MET 40 12.003 13.173 7.961 317 H ALA 41 HN ALA 41 6.296 7.990 10.175 318 HA ALA 41 HA ALA 41 6.963 5.293 9.651 319 HB1 ALA 41 HB1 ALA 41 4.750 4.808 10.608 320 HB2 ALA 41 HB2 ALA 41 4.328 6.518 10.502 321 HB3 ALA 41 HB3 ALA 41 5.630 5.993 11.568 322 H VAL 42 HN VAL 42 4.791 7.605 7.891 323 HA VAL 42 HA VAL 42 3.847 5.616 6.051 324 HB VAL 42 HB VAL 42 3.078 7.382 4.528 325 HG11 VAL 42 HG11 VAL 42 1.398 8.444 5.970 326 HG12 VAL 42 HG12 VAL 42 2.307 7.946 7.395 327 HG13 VAL 42 HG13 VAL 42 1.593 6.728 6.337 328 HG21 VAL 42 HG21 VAL 42 4.887 9.052 4.844 329 HG22 VAL 42 HG22 VAL 42 4.239 9.459 6.429 330 HG23 VAL 42 HG23 VAL 42 3.286 9.775 4.979 331 H VAL 43 HN VAL 43 6.577 7.895 6.091 332 HA VAL 43 HA VAL 43 7.554 7.394 3.477 333 HB VAL 43 HB VAL 43 9.333 7.829 5.918 334 HG11 VAL 43 HG11 VAL 43 10.861 8.945 4.333 335 HG12 VAL 43 HG12 VAL 43 9.766 8.578 2.997 336 HG13 VAL 43 HG13 VAL 43 10.571 7.269 3.865 337 HG21 VAL 43 HG21 VAL 43 7.581 9.491 5.992 338 HG22 VAL 43 HG22 VAL 43 7.832 9.902 4.297 339 HG23 VAL 43 HG23 VAL 43 9.085 10.260 5.487 340 H ASN 44 HN ASN 44 8.068 5.725 6.509 341 HA ASN 44 HA ASN 44 10.046 3.900 5.745 342 HB2 ASN 44 HB2 ASN 44 9.274 4.652 8.106 343 HB3 ASN 44 HB1 ASN 44 8.024 3.423 7.960 344 HD21 ASN 44 HD21 ASN 44 10.073 3.550 9.925 345 HD22 ASN 44 HD22 ASN 44 11.028 2.126 9.768 346 H VAL 45 HN VAL 45 6.475 3.523 5.929 347 HA VAL 45 HA VAL 45 6.496 0.779 5.115 348 HB VAL 45 HB VAL 45 4.045 0.985 4.727 349 HG11 VAL 45 HG11 VAL 45 3.396 1.455 7.072 350 HG12 VAL 45 HG12 VAL 45 4.990 2.158 7.365 351 HG13 VAL 45 HG13 VAL 45 4.840 0.446 6.971 352 HG21 VAL 45 HG21 VAL 45 4.412 3.901 5.478 353 HG22 VAL 45 HG22 VAL 45 2.863 3.072 5.277 354 HG23 VAL 45 HG23 VAL 45 3.935 3.287 3.892 355 H ILE 46 HN ILE 46 6.315 3.832 3.267 356 HA ILE 46 HA ILE 46 5.631 2.758 0.731 357 HB ILE 46 HB ILE 46 7.431 5.154 1.335 358 HG12 ILE 46 HG12 ILE 46 4.508 5.224 0.468 359 HG13 ILE 46 HG11 ILE 46 5.000 5.254 2.156 360 HG21 ILE 46 HG21 ILE 46 6.997 5.888 -1.005 361 HG22 ILE 46 HG22 ILE 46 6.112 4.393 -1.313 362 HG23 ILE 46 HG23 ILE 46 7.839 4.339 -0.959 363 HD11 ILE 46 HD11 ILE 46 6.228 7.340 1.745 364 HD12 ILE 46 HD12 ILE 46 4.513 7.470 1.357 365 HD13 ILE 46 HD13 ILE 46 5.695 7.304 0.061 366 H THR 47 HN THR 47 8.778 3.441 2.212 367 HA THR 47 HA THR 47 10.510 2.527 0.241 368 HB THR 47 HB THR 47 10.916 2.340 3.262 369 HG1 THR 47 HG1 THR 47 11.194 4.465 1.409 370 HG21 THR 47 HG21 THR 47 13.327 2.557 2.772 371 HG22 THR 47 HG22 THR 47 12.991 2.537 1.039 372 HG23 THR 47 HG23 THR 47 12.669 1.102 2.018 373 H ALA 48 HN ALA 48 9.066 0.775 2.971 374 HA ALA 48 HA ALA 48 10.173 -1.761 2.585 375 HB1 ALA 48 HB1 ALA 48 9.058 -1.025 4.637 376 HB2 ALA 48 HB2 ALA 48 8.375 -2.540 4.044 377 HB3 ALA 48 HB3 ALA 48 7.500 -1.024 3.806 378 H LEU 49 HN LEU 49 7.110 -0.408 1.265 379 HA LEU 49 HA LEU 49 6.145 -2.648 -0.116 380 HB2 LEU 49 HB2 LEU 49 5.738 0.312 -0.311 381 HB3 LEU 49 HB1 LEU 49 5.366 -0.561 -1.780 382 HG LEU 49 HG LEU 49 3.340 -0.163 -0.446 383 HD11 LEU 49 HD11 LEU 49 2.434 -2.432 -0.406 384 HD12 LEU 49 HD12 LEU 49 4.067 -3.101 -0.506 385 HD13 LEU 49 HD13 LEU 49 3.409 -2.159 -1.849 386 HD21 LEU 49 HD21 LEU 49 4.267 -0.095 1.805 387 HD22 LEU 49 HD22 LEU 49 4.636 -1.820 1.743 388 HD23 LEU 49 HD23 LEU 49 2.958 -1.271 1.718 389 H GLU 50 HN GLU 50 8.372 -0.093 -1.192 390 HA GLU 50 HA GLU 50 8.887 -0.897 -3.819 391 HB2 GLU 50 HB2 GLU 50 10.999 0.323 -1.985 392 HB3 GLU 50 HB1 GLU 50 10.889 0.479 -3.732 393 HG2 GLU 50 HG2 GLU 50 8.905 1.655 -1.772 394 HG3 GLU 50 HG1 GLU 50 10.262 2.530 -2.447 395 H GLU 51 HN GLU 51 10.510 -1.828 -0.796 396 HA GLU 51 HA GLU 51 12.613 -3.384 -1.811 397 HB2 GLU 51 HB2 GLU 51 11.145 -3.776 0.836 398 HB3 GLU 51 HB1 GLU 51 12.746 -4.388 0.452 399 HG2 GLU 51 HG2 GLU 51 11.989 -1.472 0.701 400 HG3 GLU 51 HG1 GLU 51 12.787 -2.424 1.941 401 H TYR 52 HN TYR 52 9.531 -4.564 -0.395 402 HA TYR 52 HA TYR 52 10.110 -7.308 -0.859 403 HB2 TYR 52 HB2 TYR 52 7.578 -5.878 -0.001 404 HB3 TYR 52 HB1 TYR 52 7.645 -7.629 -0.168 405 HD1 TYR 52 HD1 TYR 52 8.960 -8.997 1.420 406 HD2 TYR 52 HD2 TYR 52 8.774 -4.755 1.859 407 HE1 TYR 52 HE1 TYR 52 9.863 -9.186 3.687 408 HE2 TYR 52 HE2 TYR 52 9.691 -4.943 4.124 409 HH TYR 52 HH TYR 52 9.904 -6.569 5.905 410 H PHE 53 HN PHE 53 8.095 -4.973 -2.661 411 HA PHE 53 HA PHE 53 7.268 -7.077 -4.548 412 HB2 PHE 53 HB2 PHE 53 6.528 -4.147 -4.384 413 HB3 PHE 53 HB1 PHE 53 5.917 -5.245 -5.617 414 HD1 PHE 53 HD2 PHE 53 6.040 -4.744 -1.891 415 HD2 PHE 53 HD1 PHE 53 3.934 -6.474 -5.185 416 HE1 PHE 53 HE2 PHE 53 4.176 -5.345 -0.398 417 HE2 PHE 53 HE1 PHE 53 2.102 -7.066 -3.673 418 HZ PHE 53 HZ PHE 53 2.207 -6.506 -1.291 419 H ASP 54 HN ASP 54 9.874 -4.918 -4.259 420 HA ASP 54 HA ASP 54 11.741 -4.650 -5.494 421 HB2 ASP 54 HB2 ASP 54 10.573 -6.926 -7.154 422 HB3 ASP 54 HB1 ASP 54 12.214 -6.320 -7.340 423 H PHE 55 HN PHE 55 9.611 -2.936 -5.989 424 HA PHE 55 HA PHE 55 10.009 -2.111 -8.808 425 HB2 PHE 55 HB2 PHE 55 7.684 -1.829 -9.222 426 HB3 PHE 55 HB1 PHE 55 7.778 -3.402 -8.451 427 HD1 PHE 55 HD1 PHE 55 7.925 -2.594 -5.545 428 HD2 PHE 55 HD2 PHE 55 5.487 -1.090 -8.723 429 HE1 PHE 55 HE1 PHE 55 6.227 -1.904 -3.924 430 HE2 PHE 55 HE2 PHE 55 3.796 -0.430 -7.078 431 HZ PHE 55 HZ PHE 55 4.168 -0.827 -4.682 432 H SER 56 HN SER 56 8.721 0.201 -8.937 433 HA SER 56 HA SER 56 8.993 1.664 -6.392 434 HB2 SER 56 HB2 SER 56 10.962 2.186 -7.835 435 HB3 SER 56 HB1 SER 56 9.868 2.763 -9.093 436 HG SER 56 HG SER 56 9.483 3.862 -6.567 437 H VAL 57 HN VAL 57 7.093 2.559 -5.831 438 HA VAL 57 HA VAL 57 4.974 3.151 -7.717 439 HB VAL 57 HB VAL 57 5.187 4.196 -4.839 440 HG11 VAL 57 HG11 VAL 57 2.761 3.735 -6.619 441 HG12 VAL 57 HG12 VAL 57 3.471 5.293 -6.189 442 HG13 VAL 57 HG13 VAL 57 2.720 4.305 -4.940 443 HG21 VAL 57 HG21 VAL 57 5.405 1.742 -4.784 444 HG22 VAL 57 HG22 VAL 57 3.904 1.583 -5.699 445 HG23 VAL 57 HG23 VAL 57 3.880 2.274 -4.073 446 H ASP 58 HN ASP 58 4.627 5.116 -8.706 447 HA ASP 58 HA ASP 58 6.797 6.998 -8.868 448 HB2 ASP 58 HB2 ASP 58 5.337 6.367 -10.804 449 HB3 ASP 58 HB1 ASP 58 3.979 7.177 -10.029 450 H ASP 59 HN ASP 59 6.876 9.148 -8.145 451 HA ASP 59 HA ASP 59 5.832 9.743 -5.636 452 HB2 ASP 59 HB2 ASP 59 7.900 10.766 -6.587 453 HB3 ASP 59 HB1 ASP 59 6.921 11.717 -7.699 454 H ASP 60 HN ASP 60 4.687 10.749 -8.826 455 HA ASP 60 HA ASP 60 2.730 12.633 -7.884 456 HB2 ASP 60 HB2 ASP 60 3.183 11.429 -10.643 457 HB3 ASP 60 HB1 ASP 60 2.036 12.719 -10.306 458 H GLU 61 HN GLU 61 2.670 9.325 -7.732 459 HA GLU 61 HA GLU 61 -0.297 9.329 -7.706 460 HB2 GLU 61 HB2 GLU 61 -0.374 7.009 -8.327 461 HB3 GLU 61 HB1 GLU 61 0.648 7.847 -9.492 462 HG2 GLU 61 HG2 GLU 61 2.654 6.992 -8.365 463 HG3 GLU 61 HG1 GLU 61 1.651 6.173 -7.172 464 H ILE 62 HN ILE 62 2.553 8.964 -5.796 465 HA ILE 62 HA ILE 62 1.205 7.572 -3.614 466 HB ILE 62 HB ILE 62 3.806 9.176 -3.406 467 HG12 ILE 62 HG12 ILE 62 3.482 6.176 -3.858 468 HG13 ILE 62 HG11 ILE 62 4.035 7.321 -5.073 469 HG21 ILE 62 HG21 ILE 62 4.178 7.821 -1.360 470 HG22 ILE 62 HG22 ILE 62 2.631 7.009 -1.611 471 HG23 ILE 62 HG23 ILE 62 2.673 8.733 -1.255 472 HD11 ILE 62 HD11 ILE 62 5.447 6.624 -2.504 473 HD12 ILE 62 HD12 ILE 62 6.021 7.776 -3.715 474 HD13 ILE 62 HD13 ILE 62 5.865 6.066 -4.127 475 H SER 63 HN SER 63 -0.350 8.596 -2.545 476 HA SER 63 HA SER 63 0.007 11.370 -1.614 477 HB2 SER 63 HB2 SER 63 -1.528 11.329 -3.611 478 HB3 SER 63 HB1 SER 63 -2.579 10.202 -2.756 479 HG SER 63 HG SER 63 -2.941 12.661 -2.738 480 H ALA 64 HN ALA 64 -1.673 11.807 0.189 481 HA ALA 64 HA ALA 64 -1.658 9.830 2.231 482 HB1 ALA 64 HB1 ALA 64 -3.472 12.253 1.961 483 HB2 ALA 64 HB2 ALA 64 -1.877 12.234 2.719 484 HB3 ALA 64 HB3 ALA 64 -3.204 11.314 3.431 485 H GLN 65 HN GLN 65 -3.915 10.659 -0.316 486 HA GLN 65 HA GLN 65 -6.136 9.083 0.465 487 HB2 GLN 65 HB2 GLN 65 -5.314 9.890 -2.360 488 HB3 GLN 65 HB1 GLN 65 -6.908 9.338 -1.864 489 HG2 GLN 65 HG2 GLN 65 -5.561 11.935 -1.097 490 HG3 GLN 65 HG1 GLN 65 -6.954 11.733 -2.151 491 HE21 GLN 65 HE21 GLN 65 -5.838 11.822 1.135 492 HE22 GLN 65 HE22 GLN 65 -7.392 11.851 1.882 493 H THR 66 HN THR 66 -3.065 8.196 -0.945 494 HA THR 66 HA THR 66 -3.808 5.731 -2.171 495 HB THR 66 HB THR 66 -1.102 6.602 -1.047 496 HG1 THR 66 HG1 THR 66 -1.969 6.703 -3.751 497 HG21 THR 66 HG21 THR 66 -0.098 4.975 -2.595 498 HG22 THR 66 HG22 THR 66 -1.699 4.465 -3.131 499 HG23 THR 66 HG23 THR 66 -1.181 4.149 -1.475 500 H PHE 67 HN PHE 67 -2.868 6.682 1.133 501 HA PHE 67 HA PHE 67 -2.844 3.889 2.048 502 HB2 PHE 67 HB2 PHE 67 -1.968 6.469 3.396 503 HB3 PHE 67 HB1 PHE 67 -1.949 4.897 4.195 504 HD1 PHE 67 HD2 PHE 67 -0.449 6.886 1.428 505 HD2 PHE 67 HD1 PHE 67 -0.224 3.265 3.706 506 HE1 PHE 67 HE2 PHE 67 1.738 6.382 0.430 507 HE2 PHE 67 HE1 PHE 67 1.958 2.771 2.691 508 HZ PHE 67 HZ PHE 67 2.934 4.324 1.052 509 H GLU 68 HN GLU 68 -5.343 5.623 1.410 510 HA GLU 68 HA GLU 68 -6.700 6.120 3.836 511 HB2 GLU 68 HB2 GLU 68 -8.751 6.305 2.527 512 HB3 GLU 68 HB1 GLU 68 -7.437 7.100 1.674 513 HG2 GLU 68 HG2 GLU 68 -7.261 5.241 0.115 514 HG3 GLU 68 HG1 GLU 68 -8.461 4.326 1.023 515 H THR 69 HN THR 69 -6.800 3.253 1.682 516 HA THR 69 HA THR 69 -7.587 1.549 3.961 517 HB THR 69 HB THR 69 -9.112 0.250 2.413 518 HG1 THR 69 HG1 THR 69 -8.634 2.467 0.693 519 HG21 THR 69 HG21 THR 69 -11.037 1.788 2.455 520 HG22 THR 69 HG22 THR 69 -9.967 3.147 2.795 521 HG23 THR 69 HG23 THR 69 -10.149 1.850 3.978 522 H LEU 70 HN LEU 70 -7.213 -0.760 3.515 523 HA LEU 70 HA LEU 70 -4.615 -1.296 2.513 524 HB2 LEU 70 HB2 LEU 70 -5.709 -2.575 4.332 525 HB3 LEU 70 HB1 LEU 70 -6.881 -3.208 3.185 526 HG LEU 70 HG LEU 70 -4.963 -4.329 1.956 527 HD11 LEU 70 HD11 LEU 70 -3.136 -2.904 2.716 528 HD12 LEU 70 HD12 LEU 70 -2.812 -4.591 3.112 529 HD13 LEU 70 HD13 LEU 70 -3.347 -3.478 4.373 530 HD21 LEU 70 HD21 LEU 70 -4.689 -6.172 3.578 531 HD22 LEU 70 HD22 LEU 70 -6.362 -5.631 3.476 532 HD23 LEU 70 HD23 LEU 70 -5.369 -5.153 4.851 533 H GLY 71 HN GLY 71 -7.791 -1.464 1.135 534 HA2 GLY 71 HA2 GLY 71 -7.242 -3.095 -1.147 535 HA3 GLY 71 HA1 GLY 71 -8.657 -2.079 -0.897 536 H SER 72 HN SER 72 -7.069 0.349 -0.442 537 HA SER 72 HA SER 72 -6.726 1.305 -3.071 538 HB2 SER 72 HB2 SER 72 -5.684 2.426 -0.445 539 HB3 SER 72 HB1 SER 72 -5.759 3.313 -1.974 540 HG SER 72 HG SER 72 -8.017 3.050 -1.927 541 H LEU 73 HN LEU 73 -4.252 0.465 -0.546 542 HA LEU 73 HA LEU 73 -1.980 0.807 -2.193 543 HB2 LEU 73 HB2 LEU 73 -2.400 -1.012 0.199 544 HB3 LEU 73 HB1 LEU 73 -0.864 -0.917 -0.635 545 HG LEU 73 HG LEU 73 -0.684 0.424 1.325 546 HD11 LEU 73 HD11 LEU 73 -1.050 2.303 -1.028 547 HD12 LEU 73 HD12 LEU 73 0.400 1.371 -0.651 548 HD13 LEU 73 HD13 LEU 73 -0.138 2.635 0.448 549 HD21 LEU 73 HD21 LEU 73 -3.083 0.729 1.770 550 HD22 LEU 73 HD22 LEU 73 -3.168 1.943 0.491 551 HD23 LEU 73 HD23 LEU 73 -2.176 2.230 1.924 552 H ALA 74 HN ALA 74 -3.965 -2.059 -1.568 553 HA ALA 74 HA ALA 74 -2.495 -3.985 -2.964 554 HB1 ALA 74 HB1 ALA 74 -4.558 -5.312 -2.949 555 HB2 ALA 74 HB2 ALA 74 -5.496 -3.879 -2.514 556 HB3 ALA 74 HB3 ALA 74 -4.302 -4.528 -1.388 557 H LEU 75 HN LEU 75 -5.151 -1.874 -4.064 558 HA LEU 75 HA LEU 75 -5.352 -2.853 -6.708 559 HB2 LEU 75 HB2 LEU 75 -6.421 -0.505 -5.235 560 HB3 LEU 75 HB1 LEU 75 -6.133 -0.165 -6.926 561 HG LEU 75 HG LEU 75 -8.437 -0.783 -6.689 562 HD11 LEU 75 HD11 LEU 75 -7.358 -1.607 -8.710 563 HD12 LEU 75 HD12 LEU 75 -8.655 -2.681 -8.197 564 HD13 LEU 75 HD13 LEU 75 -6.972 -3.132 -7.909 565 HD21 LEU 75 HD21 LEU 75 -9.201 -2.939 -5.782 566 HD22 LEU 75 HD22 LEU 75 -8.374 -1.965 -4.571 567 HD23 LEU 75 HD23 LEU 75 -7.543 -3.331 -5.314 568 H PHE 76 HN PHE 76 -3.588 -0.036 -5.361 569 HA PHE 76 HA PHE 76 -2.566 0.981 -7.746 570 HB2 PHE 76 HB2 PHE 76 -1.685 1.265 -4.871 571 HB3 PHE 76 HB1 PHE 76 -0.671 1.934 -6.145 572 HD1 PHE 76 HD1 PHE 76 -2.020 3.390 -7.964 573 HD2 PHE 76 HD2 PHE 76 -3.284 2.753 -3.927 574 HE1 PHE 76 HE1 PHE 76 -3.380 5.435 -8.058 575 HE2 PHE 76 HE2 PHE 76 -4.638 4.794 -4.032 576 HZ PHE 76 HZ PHE 76 -4.691 6.142 -6.095 577 H VAL 77 HN VAL 77 -0.940 -1.236 -5.438 578 HA VAL 77 HA VAL 77 1.406 -1.541 -7.021 579 HB VAL 77 HB VAL 77 2.033 -3.413 -5.561 580 HG11 VAL 77 HG11 VAL 77 2.365 -1.128 -4.692 581 HG12 VAL 77 HG12 VAL 77 2.018 -2.254 -3.380 582 HG13 VAL 77 HG13 VAL 77 0.758 -1.160 -3.955 583 HG21 VAL 77 HG21 VAL 77 -0.761 -3.233 -4.374 584 HG22 VAL 77 HG22 VAL 77 0.554 -4.246 -3.769 585 HG23 VAL 77 HG23 VAL 77 -0.137 -4.556 -5.361 586 H GLU 78 HN GLU 78 -1.711 -3.230 -7.020 587 HA GLU 78 HA GLU 78 -0.856 -5.328 -8.821 588 HB2 GLU 78 HB2 GLU 78 -3.543 -4.460 -7.726 589 HB3 GLU 78 HB1 GLU 78 -3.458 -5.649 -9.028 590 HG2 GLU 78 HG2 GLU 78 -2.174 -7.179 -7.669 591 HG3 GLU 78 HG1 GLU 78 -1.964 -5.971 -6.408 592 H HIS 79 HN HIS 79 -1.888 -2.030 -9.291 593 HA HIS 79 HA HIS 79 -2.413 -2.370 -12.135 594 HB2 HIS 79 HB2 HIS 79 -1.870 0.185 -10.568 595 HB3 HIS 79 HB1 HIS 79 -2.386 0.116 -12.249 596 HD1 HIS 79 HD1 HIS 79 -4.791 -1.586 -12.299 597 HD2 HIS 79 HD2 HIS 79 -3.998 0.841 -9.049 598 HE1 HIS 79 HE1 HIS 79 -7.006 -1.176 -11.212 599 HE2 HIS 79 HE2 HIS 79 -6.525 0.511 -9.410 600 H LYS 80 HN LYS 80 0.260 -1.469 -10.042 601 HA LYS 80 HA LYS 80 2.060 -0.432 -11.941 602 HB2 LYS 80 HB2 LYS 80 2.598 -1.766 -9.254 603 HB3 LYS 80 HB1 LYS 80 3.820 -0.901 -10.180 604 HG2 LYS 80 HG2 LYS 80 1.294 0.302 -9.004 605 HG3 LYS 80 HG1 LYS 80 2.923 0.482 -8.359 606 HD2 LYS 80 HD2 LYS 80 2.035 1.431 -11.094 607 HD3 LYS 80 HD1 LYS 80 2.134 2.460 -9.666 608 HE2 LYS 80 HE2 LYS 80 4.570 2.052 -9.541 609 HE3 LYS 80 HE1 LYS 80 4.474 1.006 -10.960 610 HZ1 LYS 80 HZ1 LYS 80 3.783 3.893 -10.903 611 HZ2 LYS 80 HZ2 LYS 80 3.723 2.890 -12.257 612 HZ3 LYS 80 HZ3 LYS 80 5.206 3.238 -11.529 613 H LEU 81 HN LEU 81 2.050 -3.663 -10.420 614 HA LEU 81 HA LEU 81 4.151 -4.659 -12.098 615 HB2 LEU 81 HB2 LEU 81 2.289 -6.073 -10.158 616 HB3 LEU 81 HB1 LEU 81 3.503 -6.930 -11.082 617 HG LEU 81 HG LEU 81 4.501 -6.639 -8.964 618 HD11 LEU 81 HD11 LEU 81 6.061 -6.057 -10.747 619 HD12 LEU 81 HD12 LEU 81 6.418 -5.179 -9.262 620 HD13 LEU 81 HD13 LEU 81 5.614 -4.354 -10.598 621 HD21 LEU 81 HD21 LEU 81 3.652 -3.733 -8.912 622 HD22 LEU 81 HD22 LEU 81 4.623 -4.547 -7.681 623 HD23 LEU 81 HD23 LEU 81 2.956 -5.048 -7.961 624 H SER 82 HN SER 82 0.776 -4.349 -12.637 625 HA SER 82 HA SER 82 0.672 -6.410 -14.715 626 HB2 SER 82 HB2 SER 82 -1.441 -4.465 -13.721 627 HB3 SER 82 HB1 SER 82 -1.719 -5.701 -14.955 628 HG SER 82 HG SER 82 -2.039 -6.055 -12.448 629 H HIS 83 HN HIS 83 1.013 -2.928 -14.442 630 HA HIS 83 HA HIS 83 0.988 -2.624 -17.402 631 HB2 HIS 83 HB2 HIS 83 0.169 -0.585 -15.276 632 HB3 HIS 83 HB1 HIS 83 0.380 -0.197 -16.978 633 HD1 HIS 83 HD1 HIS 83 -1.716 -0.230 -18.278 634 HD2 HIS 83 HD2 HIS 83 -1.954 -2.733 -14.974 635 HE1 HIS 83 HE1 HIS 83 -4.045 -1.146 -18.294 636 HE2 HIS 83 HE2 HIS 83 -4.143 -2.706 -16.332 637 H282 PNS 84 H282 PNS 84 8.862 15.904 7.397 638 H281 PNS 84 H281 PNS 84 9.291 14.429 8.246 639 H303 PNS 84 H303 PNS 84 5.828 14.308 7.375 640 H302 PNS 84 H302 PNS 84 6.182 15.409 6.047 641 H301 PNS 84 H301 PNS 84 5.890 13.696 5.716 642 H313 PNS 84 H313 PNS 84 7.549 12.351 7.837 643 H312 PNS 84 H312 PNS 84 7.614 12.002 6.110 644 H311 PNS 84 H311 PNS 84 9.100 12.364 6.984 645 H32 PNS 84 H32 PNS 84 8.651 15.562 5.134 646 H33 PNS 84 H33 PNS 84 10.547 14.571 4.749 647 H36 PNS 84 H36 PNS 84 8.795 12.084 4.311 648 H372 PNS 84 H372 PNS 84 7.636 12.523 1.697 649 H371 PNS 84 H371 PNS 84 8.104 10.969 2.404 650 H382 PNS 84 H382 PNS 84 6.050 10.953 3.766 651 H381 PNS 84 H381 PNS 84 5.582 12.512 3.095 652 H41 PNS 84 H41 PNS 84 3.729 10.765 2.993 653 H422 PNS 84 H422 PNS 84 2.794 10.547 0.430 654 H421 PNS 84 H421 PNS 84 3.656 9.025 0.704 655 H431 PNS 84 H431 PNS 84 2.272 8.588 2.671 656 H432 PNS 84 H432 PNS 84 1.273 8.801 1.226 657 H44 PNS 84 H44 PNS 84 1.553 11.750 2.496 Start of MODEL 2 1 H MET 1 HT1 MET 1 -8.401 -8.620 -4.424 2 HA MET 1 HA MET 1 -6.207 -7.726 -6.185 3 HB2 MET 1 HB2 MET 1 -6.875 -6.996 -3.305 4 HB3 MET 1 HB1 MET 1 -5.287 -6.708 -4.018 5 HG2 MET 1 HG2 MET 1 -6.589 -4.684 -4.097 6 HG3 MET 1 HG1 MET 1 -6.322 -5.295 -5.729 7 HE1 MET 1 HE1 MET 1 -10.371 -5.419 -3.466 8 HE2 MET 1 HE2 MET 1 -8.945 -4.550 -2.900 9 HE3 MET 1 HE3 MET 1 -8.964 -6.315 -2.892 10 H GLN 2 HN GLN 2 -4.220 -8.630 -5.800 11 HA GLN 2 HA GLN 2 -4.197 -11.235 -4.431 12 HB2 GLN 2 HB2 GLN 2 -1.948 -10.085 -6.140 13 HB3 GLN 2 HB1 GLN 2 -2.294 -11.776 -5.785 14 HG2 GLN 2 HG2 GLN 2 -3.908 -9.952 -7.578 15 HG3 GLN 2 HG1 GLN 2 -2.773 -11.193 -8.113 16 HE21 GLN 2 HE21 GLN 2 -5.965 -10.570 -6.895 17 HE22 GLN 2 HE22 GLN 2 -6.584 -12.173 -7.058 18 H HIS 3 HN HIS 3 -2.401 -8.218 -4.785 19 HA HIS 3 HA HIS 3 -0.323 -8.995 -3.057 20 HB2 HIS 3 HB2 HIS 3 -0.946 -6.291 -4.253 21 HB3 HIS 3 HB1 HIS 3 0.543 -6.677 -3.400 22 HD1 HIS 3 HD1 HIS 3 1.774 -8.957 -4.589 23 HD2 HIS 3 HD2 HIS 3 -0.615 -6.486 -6.928 24 HE1 HIS 3 HE1 HIS 3 2.511 -9.347 -6.950 25 HE2 HIS 3 HE2 HIS 3 0.873 -8.045 -8.341 26 H LEU 4 HN LEU 4 -3.383 -7.735 -2.254 27 HA LEU 4 HA LEU 4 -2.939 -5.826 -0.315 28 HB2 LEU 4 HB2 LEU 4 -5.128 -6.121 0.461 29 HB3 LEU 4 HB1 LEU 4 -5.210 -6.657 -1.203 30 HG LEU 4 HG LEU 4 -5.039 -8.546 1.184 31 HD11 LEU 4 HD11 LEU 4 -7.517 -7.743 -0.363 32 HD12 LEU 4 HD12 LEU 4 -7.126 -7.288 1.298 33 HD13 LEU 4 HD13 LEU 4 -7.426 -8.977 0.899 34 HD21 LEU 4 HD21 LEU 4 -5.748 -10.302 -0.385 35 HD22 LEU 4 HD22 LEU 4 -4.216 -9.581 -0.871 36 HD23 LEU 4 HD23 LEU 4 -5.705 -9.143 -1.718 37 H GLU 5 HN GLU 5 -2.532 -9.341 0.029 38 HA GLU 5 HA GLU 5 -2.545 -9.279 2.911 39 HB2 GLU 5 HB2 GLU 5 -2.186 -11.583 2.933 40 HB3 GLU 5 HB1 GLU 5 -3.067 -11.343 1.438 41 HG2 GLU 5 HG2 GLU 5 -0.054 -11.640 1.566 42 HG3 GLU 5 HG1 GLU 5 -1.148 -13.005 1.378 43 H ALA 6 HN ALA 6 -0.058 -9.093 0.448 44 HA ALA 6 HA ALA 6 2.197 -9.245 2.232 45 HB1 ALA 6 HB1 ALA 6 3.535 -8.664 0.254 46 HB2 ALA 6 HB2 ALA 6 2.061 -8.303 -0.652 47 HB3 ALA 6 HB3 ALA 6 2.385 -9.952 -0.115 48 H VAL 7 HN VAL 7 0.189 -6.692 0.884 49 HA VAL 7 HA VAL 7 1.801 -4.464 1.623 50 HB VAL 7 HB VAL 7 -1.237 -4.603 1.198 51 HG11 VAL 7 HG11 VAL 7 0.566 -2.144 1.396 52 HG12 VAL 7 HG12 VAL 7 -0.644 -2.646 2.580 53 HG13 VAL 7 HG13 VAL 7 -1.149 -2.130 0.974 54 HG21 VAL 7 HG21 VAL 7 -0.767 -3.547 -1.014 55 HG22 VAL 7 HG22 VAL 7 -0.033 -5.147 -0.868 56 HG23 VAL 7 HG23 VAL 7 0.969 -3.704 -0.711 57 H ARG 8 HN ARG 8 -0.909 -6.183 3.247 58 HA ARG 8 HA ARG 8 -0.888 -4.494 5.588 59 HB2 ARG 8 HB2 ARG 8 -2.557 -5.942 6.542 60 HB3 ARG 8 HB1 ARG 8 -2.949 -5.704 4.845 61 HG2 ARG 8 HG2 ARG 8 -2.015 -7.929 4.318 62 HG3 ARG 8 HG1 ARG 8 -1.632 -8.169 6.026 63 HD2 ARG 8 HD2 ARG 8 -4.063 -7.968 6.555 64 HD3 ARG 8 HD1 ARG 8 -4.400 -7.826 4.827 65 HE ARG 8 HE ARG 8 -3.085 -10.128 4.849 66 HH11 ARG 8 HH11 ARG 8 -5.607 -9.065 7.059 67 HH12 ARG 8 HH12 ARG 8 -6.196 -10.676 7.336 68 HH21 ARG 8 HH21 ARG 8 -3.845 -12.221 5.249 69 HH22 ARG 8 HH22 ARG 8 -5.194 -12.466 6.316 70 H ASN 9 HN ASN 9 0.731 -7.446 4.621 71 HA ASN 9 HA ASN 9 1.776 -8.279 7.104 72 HB2 ASN 9 HB2 ASN 9 1.891 -9.663 5.068 73 HB3 ASN 9 HB1 ASN 9 2.914 -8.471 4.274 74 HD21 ASN 9 HD21 ASN 9 4.589 -9.862 3.903 75 HD22 ASN 9 HD22 ASN 9 5.571 -10.544 5.146 76 H ILE 10 HN ILE 10 3.002 -6.070 4.601 77 HA ILE 10 HA ILE 10 5.374 -5.236 5.857 78 HB ILE 10 HB ILE 10 3.639 -3.949 3.712 79 HG12 ILE 10 HG12 ILE 10 6.418 -5.221 3.569 80 HG13 ILE 10 HG11 ILE 10 4.919 -6.040 3.154 81 HG21 ILE 10 HG21 ILE 10 5.481 -2.314 3.278 82 HG22 ILE 10 HG22 ILE 10 6.279 -2.855 4.758 83 HG23 ILE 10 HG23 ILE 10 4.702 -2.068 4.841 84 HD11 ILE 10 HD11 ILE 10 6.089 -3.657 1.733 85 HD12 ILE 10 HD12 ILE 10 4.575 -4.469 1.318 86 HD13 ILE 10 HD13 ILE 10 6.105 -5.333 1.183 87 H LEU 11 HN LEU 11 2.114 -3.754 5.857 88 HA LEU 11 HA LEU 11 2.683 -1.528 7.494 89 HB2 LEU 11 HB2 LEU 11 0.078 -3.074 7.169 90 HB3 LEU 11 HB1 LEU 11 0.210 -1.473 7.884 91 HG LEU 11 HG LEU 11 1.012 -2.051 5.006 92 HD11 LEU 11 HD11 LEU 11 -1.147 -1.143 4.298 93 HD12 LEU 11 HD12 LEU 11 -1.667 -1.040 5.981 94 HD13 LEU 11 HD13 LEU 11 -1.346 -2.612 5.250 95 HD21 LEU 11 HD21 LEU 11 0.822 0.377 4.702 96 HD22 LEU 11 HD22 LEU 11 2.000 -0.010 5.953 97 HD23 LEU 11 HD23 LEU 11 0.398 0.574 6.407 98 H GLY 12 HN GLY 12 1.700 -4.840 8.257 99 HA2 GLY 12 HA2 GLY 12 1.409 -4.528 11.063 100 HA3 GLY 12 HA1 GLY 12 1.549 -6.036 10.181 101 H ASP 13 HN ASP 13 4.173 -5.015 9.022 102 HA ASP 13 HA ASP 13 5.937 -5.864 11.160 103 HB2 ASP 13 HB2 ASP 13 6.362 -6.635 8.868 104 HB3 ASP 13 HB1 ASP 13 6.457 -4.977 8.291 105 H VAL 14 HN VAL 14 5.447 -2.932 9.216 106 HA VAL 14 HA VAL 14 7.644 -1.478 10.295 107 HB VAL 14 HB VAL 14 5.273 -0.549 8.612 108 HG11 VAL 14 HG11 VAL 14 7.850 0.949 9.233 109 HG12 VAL 14 HG12 VAL 14 6.233 1.373 9.795 110 HG13 VAL 14 HG13 VAL 14 6.614 1.466 8.077 111 HG21 VAL 14 HG21 VAL 14 6.681 -2.223 7.477 112 HG22 VAL 14 HG22 VAL 14 8.122 -1.252 7.784 113 HG23 VAL 14 HG23 VAL 14 6.859 -0.642 6.710 114 H LEU 15 HN LEU 15 4.107 -1.221 10.702 115 HA LEU 15 HA LEU 15 4.423 0.705 12.894 116 HB2 LEU 15 HB2 LEU 15 1.878 -0.396 11.643 117 HB3 LEU 15 HB1 LEU 15 1.954 0.861 12.859 118 HG LEU 15 HG LEU 15 1.594 2.099 10.932 119 HD11 LEU 15 HD11 LEU 15 3.556 2.984 12.088 120 HD12 LEU 15 HD12 LEU 15 3.600 3.312 10.362 121 HD13 LEU 15 HD13 LEU 15 4.619 2.040 11.036 122 HD21 LEU 15 HD21 LEU 15 2.591 1.694 8.722 123 HD22 LEU 15 HD22 LEU 15 1.696 0.294 9.306 124 HD23 LEU 15 HD23 LEU 15 3.461 0.295 9.365 125 H ASN 16 HN ASN 16 4.316 -2.643 12.549 126 HA ASN 16 HA ASN 16 4.380 -4.355 13.990 127 HB2 ASN 16 HB2 ASN 16 5.942 -2.913 15.263 128 HB3 ASN 16 HB1 ASN 16 4.595 -2.221 16.156 129 HD21 ASN 16 HD21 ASN 16 6.573 -5.069 15.693 130 HD22 ASN 16 HD22 ASN 16 6.134 -5.860 17.168 131 H LEU 17 HN LEU 17 2.110 -4.455 13.101 132 HA LEU 17 HA LEU 17 -0.063 -4.049 14.990 133 HB2 LEU 17 HB2 LEU 17 0.072 -5.042 12.133 134 HB3 LEU 17 HB1 LEU 17 -1.390 -5.246 13.073 135 HG LEU 17 HG LEU 17 -1.645 -2.810 13.300 136 HD11 LEU 17 HD11 LEU 17 0.684 -2.102 13.308 137 HD12 LEU 17 HD12 LEU 17 -0.231 -1.229 12.083 138 HD13 LEU 17 HD13 LEU 17 0.849 -2.544 11.608 139 HD21 LEU 17 HD21 LEU 17 -2.679 -3.916 11.365 140 HD22 LEU 17 HD22 LEU 17 -1.215 -3.651 10.413 141 HD23 LEU 17 HD23 LEU 17 -2.177 -2.275 10.957 142 H GLY 18 HN GLY 18 1.797 -6.755 13.628 143 HA2 GLY 18 HA2 GLY 18 2.119 -8.905 14.356 144 HA3 GLY 18 HA1 GLY 18 1.237 -8.501 15.820 145 H GLU 19 HN GLU 19 -1.008 -8.810 15.883 146 HA GLU 19 HA GLU 19 -2.110 -10.725 13.917 147 HB2 GLU 19 HB2 GLU 19 -3.730 -11.392 15.593 148 HB3 GLU 19 HB1 GLU 19 -2.131 -11.450 16.313 149 HG2 GLU 19 HG2 GLU 19 -4.096 -9.178 16.713 150 HG3 GLU 19 HG1 GLU 19 -3.961 -10.562 17.795 151 H ARG 20 HN ARG 20 -2.369 -7.493 15.028 152 HA ARG 20 HA ARG 20 -5.057 -6.901 14.374 153 HB2 ARG 20 HB2 ARG 20 -3.308 -5.561 15.795 154 HB3 ARG 20 HB1 ARG 20 -2.804 -4.862 14.269 155 HG2 ARG 20 HG2 ARG 20 -5.650 -4.699 15.302 156 HG3 ARG 20 HG1 ARG 20 -4.423 -3.493 15.681 157 HD2 ARG 20 HD2 ARG 20 -4.217 -2.912 13.324 158 HD3 ARG 20 HD1 ARG 20 -5.339 -4.200 12.872 159 HE ARG 20 HE ARG 20 -6.071 -1.827 14.485 160 HH11 ARG 20 HH11 ARG 20 -6.935 -4.204 12.028 161 HH12 ARG 20 HH12 ARG 20 -8.545 -3.587 11.843 162 HH21 ARG 20 HH21 ARG 20 -8.149 -1.036 14.219 163 HH22 ARG 20 HH22 ARG 20 -9.238 -1.790 13.098 164 H LYS 21 HN LYS 21 -2.100 -7.028 12.431 165 HA LYS 21 HA LYS 21 -3.166 -5.939 10.016 166 HB2 LYS 21 HB2 LYS 21 -1.223 -6.836 8.885 167 HB3 LYS 21 HB1 LYS 21 -0.718 -6.134 10.419 168 HG2 LYS 21 HG2 LYS 21 -0.444 -8.278 11.419 169 HG3 LYS 21 HG1 LYS 21 -1.258 -9.088 10.081 170 HD2 LYS 21 HD2 LYS 21 0.735 -8.138 8.646 171 HD3 LYS 21 HD1 LYS 21 1.536 -7.943 10.210 172 HE2 LYS 21 HE2 LYS 21 1.008 -10.381 10.655 173 HE3 LYS 21 HE1 LYS 21 0.477 -10.486 8.975 174 HZ1 LYS 21 HZ1 LYS 21 3.205 -9.739 9.881 175 HZ2 LYS 21 HZ2 LYS 21 2.696 -9.857 8.278 176 HZ3 LYS 21 HZ3 LYS 21 2.752 -11.239 9.243 177 H HIS 22 HN HIS 22 -3.270 -9.091 11.500 178 HA HIS 22 HA HIS 22 -3.966 -10.540 9.091 179 HB2 HIS 22 HB2 HIS 22 -2.591 -11.574 10.897 180 HB3 HIS 22 HB1 HIS 22 -3.952 -11.449 12.006 181 HD1 HIS 22 HD1 HIS 22 -5.600 -13.355 11.990 182 HD2 HIS 22 HD2 HIS 22 -3.045 -13.444 8.711 183 HE1 HIS 22 HE1 HIS 22 -6.039 -15.545 10.847 184 HE2 HIS 22 HE2 HIS 22 -4.590 -15.515 8.794 185 H THR 23 HN THR 23 -5.630 -9.026 11.762 186 HA THR 23 HA THR 23 -8.159 -10.389 11.347 187 HB THR 23 HB THR 23 -7.388 -9.661 13.634 188 HG1 THR 23 HG1 THR 23 -9.555 -10.125 13.375 189 HG21 THR 23 HG21 THR 23 -8.160 -6.872 12.702 190 HG22 THR 23 HG22 THR 23 -6.527 -7.410 13.092 191 HG23 THR 23 HG23 THR 23 -7.753 -7.343 14.356 192 H LEU 24 HN LEU 24 -6.637 -7.694 9.888 193 HA LEU 24 HA LEU 24 -9.187 -6.350 9.262 194 HB2 LEU 24 HB2 LEU 24 -7.849 -4.449 8.469 195 HB3 LEU 24 HB1 LEU 24 -7.545 -4.843 10.134 196 HG LEU 24 HG LEU 24 -5.371 -5.972 9.321 197 HD11 LEU 24 HD11 LEU 24 -5.922 -4.359 6.813 198 HD12 LEU 24 HD12 LEU 24 -5.855 -6.119 6.927 199 HD13 LEU 24 HD13 LEU 24 -4.404 -5.166 7.222 200 HD21 LEU 24 HD21 LEU 24 -5.661 -2.959 9.057 201 HD22 LEU 24 HD22 LEU 24 -4.142 -3.832 9.290 202 HD23 LEU 24 HD23 LEU 24 -5.373 -3.862 10.550 203 H THR 25 HN THR 25 -9.612 -5.656 7.070 204 HA THR 25 HA THR 25 -8.765 -7.656 5.046 205 HB THR 25 HB THR 25 -11.107 -7.352 4.100 206 HG1 THR 25 HG1 THR 25 -12.643 -6.401 5.626 207 HG21 THR 25 HG21 THR 25 -12.274 -8.749 5.781 208 HG22 THR 25 HG22 THR 25 -11.016 -8.390 6.964 209 HG23 THR 25 HG23 THR 25 -10.625 -9.321 5.517 210 H ALA 26 HN ALA 26 -9.791 -6.662 2.752 211 HA ALA 26 HA ALA 26 -8.121 -4.533 1.966 212 HB1 ALA 26 HB1 ALA 26 -9.008 -6.202 0.379 213 HB2 ALA 26 HB2 ALA 26 -9.369 -4.563 -0.158 214 HB3 ALA 26 HB3 ALA 26 -10.634 -5.545 0.584 215 H SER 27 HN SER 27 -11.452 -4.552 3.107 216 HA SER 27 HA SER 27 -11.995 -1.781 2.503 217 HB2 SER 27 HB2 SER 27 -13.561 -3.785 4.171 218 HB3 SER 27 HB1 SER 27 -14.148 -2.196 3.675 219 HG SER 27 HG SER 27 -13.789 -2.935 1.475 220 H SER 28 HN SER 28 -9.974 -3.032 4.772 221 HA SER 28 HA SER 28 -10.724 -1.546 7.114 222 HB2 SER 28 HB2 SER 28 -9.313 -3.606 7.228 223 HB3 SER 28 HB1 SER 28 -8.012 -2.741 6.413 224 HG SER 28 HG SER 28 -9.172 -2.071 8.919 225 H VAL 29 HN VAL 29 -10.096 0.448 7.724 226 HA VAL 29 HA VAL 29 -8.821 2.265 5.859 227 HB VAL 29 HB VAL 29 -9.772 2.718 8.737 228 HG11 VAL 29 HG11 VAL 29 -8.145 4.430 8.068 229 HG12 VAL 29 HG12 VAL 29 -9.757 5.137 8.183 230 HG13 VAL 29 HG13 VAL 29 -9.068 4.769 6.599 231 HG21 VAL 29 HG21 VAL 29 -11.806 3.724 7.735 232 HG22 VAL 29 HG22 VAL 29 -11.641 2.025 7.293 233 HG23 VAL 29 HG23 VAL 29 -11.233 3.282 6.122 234 H LEU 30 HN LEU 30 -6.751 3.240 6.227 235 HA LEU 30 HA LEU 30 -5.025 1.847 8.200 236 HB2 LEU 30 HB2 LEU 30 -4.199 3.337 5.690 237 HB3 LEU 30 HB1 LEU 30 -3.125 2.477 6.784 238 HG LEU 30 HG LEU 30 -5.260 1.234 5.007 239 HD11 LEU 30 HD11 LEU 30 -2.240 1.061 4.879 240 HD12 LEU 30 HD12 LEU 30 -3.281 1.975 3.786 241 HD13 LEU 30 HD13 LEU 30 -3.377 0.217 3.824 242 HD21 LEU 30 HD21 LEU 30 -5.139 -0.041 7.103 243 HD22 LEU 30 HD22 LEU 30 -3.383 -0.170 6.954 244 HD23 LEU 30 HD23 LEU 30 -4.434 -0.967 5.779 245 H LEU 31 HN LEU 31 -4.891 5.067 6.573 246 HA LEU 31 HA LEU 31 -3.712 6.459 8.656 247 HB2 LEU 31 HB2 LEU 31 -5.574 7.424 6.464 248 HB3 LEU 31 HB1 LEU 31 -4.797 8.522 7.588 249 HG LEU 31 HG LEU 31 -3.363 6.718 5.607 250 HD11 LEU 31 HD11 LEU 31 -2.738 8.782 4.466 251 HD12 LEU 31 HD12 LEU 31 -3.673 9.732 5.625 252 HD13 LEU 31 HD13 LEU 31 -4.489 8.608 4.533 253 HD21 LEU 31 HD21 LEU 31 -1.290 7.853 6.289 254 HD22 LEU 31 HD22 LEU 31 -2.012 6.997 7.647 255 HD23 LEU 31 HD23 LEU 31 -2.171 8.750 7.530 256 H GLY 32 HN GLY 32 -4.374 6.742 10.642 257 HA2 GLY 32 HA2 GLY 32 -5.642 7.762 12.301 258 HA3 GLY 32 HA1 GLY 32 -7.027 7.835 11.226 259 H ASN 33 HN ASN 33 -6.692 4.858 10.620 260 HA ASN 33 HA ASN 33 -8.084 3.738 12.905 261 HB2 ASN 33 HB2 ASN 33 -8.616 2.909 10.631 262 HB3 ASN 33 HB1 ASN 33 -6.954 2.371 10.411 263 HD21 ASN 33 HD21 ASN 33 -7.508 0.178 10.109 264 HD22 ASN 33 HD22 ASN 33 -8.145 -0.806 11.372 265 H ILE 34 HN ILE 34 -4.965 3.092 11.287 266 HA ILE 34 HA ILE 34 -3.857 1.635 13.500 267 HB ILE 34 HB ILE 34 -2.324 2.798 11.131 268 HG12 ILE 34 HG12 ILE 34 -4.117 1.441 10.167 269 HG13 ILE 34 HG11 ILE 34 -2.612 0.545 10.018 270 HG21 ILE 34 HG21 ILE 34 -0.698 0.994 11.574 271 HG22 ILE 34 HG22 ILE 34 -1.666 0.449 12.946 272 HG23 ILE 34 HG23 ILE 34 -0.902 2.039 12.984 273 HD11 ILE 34 HD11 ILE 34 -4.814 0.042 12.030 274 HD12 ILE 34 HD12 ILE 34 -3.278 -0.827 11.973 275 HD13 ILE 34 HD13 ILE 34 -4.406 -0.940 10.625 276 HA PRO 35 HA PRO 35 -2.984 5.573 15.520 277 HB2 PRO 35 HB2 PRO 35 -2.077 4.662 17.895 278 HB3 PRO 35 HB1 PRO 35 -3.763 4.418 17.411 279 HG2 PRO 35 HG2 PRO 35 -1.446 2.484 17.224 280 HG3 PRO 35 HG1 PRO 35 -3.081 2.203 17.871 281 HD2 PRO 35 HD2 PRO 35 -2.356 1.499 15.317 282 HD3 PRO 35 HD1 PRO 35 -4.014 1.966 15.745 283 H GLU 36 HN GLU 36 -0.687 3.453 14.308 284 HA GLU 36 HA GLU 36 1.665 4.902 15.348 285 HB2 GLU 36 HB2 GLU 36 1.520 2.179 13.989 286 HB3 GLU 36 HB1 GLU 36 2.953 2.904 14.711 287 HG2 GLU 36 HG2 GLU 36 0.460 1.971 16.168 288 HG3 GLU 36 HG1 GLU 36 2.042 1.194 16.180 289 H LEU 37 HN LEU 37 -0.299 4.560 12.597 290 HA LEU 37 HA LEU 37 1.796 4.875 10.602 291 HB2 LEU 37 HB2 LEU 37 -0.230 3.525 10.132 292 HB3 LEU 37 HB1 LEU 37 -1.224 4.965 10.297 293 HG LEU 37 HG LEU 37 -0.059 5.969 8.314 294 HD11 LEU 37 HD11 LEU 37 1.337 4.580 6.840 295 HD12 LEU 37 HD12 LEU 37 1.294 3.264 8.018 296 HD13 LEU 37 HD13 LEU 37 2.085 4.789 8.422 297 HD21 LEU 37 HD21 LEU 37 -2.206 4.820 8.062 298 HD22 LEU 37 HD22 LEU 37 -1.367 3.283 7.781 299 HD23 LEU 37 HD23 LEU 37 -1.197 4.610 6.625 300 H ASP 38 HN ASP 38 2.760 6.814 11.305 301 HA ASP 38 HA ASP 38 1.285 9.323 10.884 302 HB2 ASP 38 HB2 ASP 38 3.216 10.418 11.936 303 HB3 ASP 38 HB1 ASP 38 2.617 9.122 12.962 304 H SER 39 HN SER 39 3.209 10.997 10.065 305 HA SER 39 HA SER 39 3.219 10.684 7.269 306 HB2 SER 39 HB2 SER 39 4.468 12.839 7.324 307 HB3 SER 39 HB1 SER 39 3.054 12.856 8.378 308 H MET 40 HN MET 40 6.013 10.744 9.551 309 HA MET 40 HA MET 40 8.014 9.946 7.721 310 HB2 MET 40 HB2 MET 40 7.835 9.466 10.716 311 HB3 MET 40 HB1 MET 40 9.277 9.187 9.750 312 HG2 MET 40 HG2 MET 40 7.921 11.872 10.047 313 HG3 MET 40 HG1 MET 40 9.275 11.328 11.042 314 HE1 MET 40 HE1 MET 40 10.764 13.407 10.434 315 HE2 MET 40 HE2 MET 40 9.443 14.082 9.476 316 HE3 MET 40 HE3 MET 40 11.061 13.960 8.786 317 H ALA 41 HN ALA 41 5.669 8.105 9.559 318 HA ALA 41 HA ALA 41 6.602 5.493 8.984 319 HB1 ALA 41 HB1 ALA 41 5.051 5.944 10.816 320 HB2 ALA 41 HB2 ALA 41 4.397 4.734 9.713 321 HB3 ALA 41 HB3 ALA 41 3.794 6.388 9.665 322 H VAL 42 HN VAL 42 4.561 7.740 7.037 323 HA VAL 42 HA VAL 42 3.783 5.779 5.122 324 HB VAL 42 HB VAL 42 3.042 7.420 3.629 325 HG11 VAL 42 HG11 VAL 42 1.891 9.185 4.903 326 HG12 VAL 42 HG12 VAL 42 2.903 8.829 6.302 327 HG13 VAL 42 HG13 VAL 42 1.782 7.608 5.696 328 HG21 VAL 42 HG21 VAL 42 5.054 9.448 4.704 329 HG22 VAL 42 HG22 VAL 42 3.820 9.802 3.493 330 HG23 VAL 42 HG23 VAL 42 5.096 8.639 3.138 331 H VAL 43 HN VAL 43 6.677 7.794 5.523 332 HA VAL 43 HA VAL 43 7.965 7.152 3.054 333 HB VAL 43 HB VAL 43 9.499 7.572 5.654 334 HG11 VAL 43 HG11 VAL 43 11.174 8.660 4.209 335 HG12 VAL 43 HG12 VAL 43 10.178 8.338 2.786 336 HG13 VAL 43 HG13 VAL 43 10.872 6.998 3.702 337 HG21 VAL 43 HG21 VAL 43 7.766 9.262 5.595 338 HG22 VAL 43 HG22 VAL 43 8.232 9.738 3.960 339 HG23 VAL 43 HG23 VAL 43 9.345 9.991 5.305 340 H ASN 44 HN ASN 44 8.143 5.705 6.265 341 HA ASN 44 HA ASN 44 9.971 3.652 5.845 342 HB2 ASN 44 HB2 ASN 44 7.679 4.043 7.769 343 HB3 ASN 44 HB1 ASN 44 8.639 2.561 7.829 344 HD21 ASN 44 HD21 ASN 44 8.336 4.871 9.735 345 HD22 ASN 44 HD22 ASN 44 9.961 5.358 10.069 346 H VAL 45 HN VAL 45 6.407 3.443 5.553 347 HA VAL 45 HA VAL 45 6.421 0.664 4.909 348 HB VAL 45 HB VAL 45 4.025 0.922 4.299 349 HG11 VAL 45 HG11 VAL 45 3.210 1.589 6.539 350 HG12 VAL 45 HG12 VAL 45 4.792 2.285 6.907 351 HG13 VAL 45 HG13 VAL 45 4.631 0.548 6.641 352 HG21 VAL 45 HG21 VAL 45 4.473 3.884 4.827 353 HG22 VAL 45 HG22 VAL 45 2.895 3.116 4.599 354 HG23 VAL 45 HG23 VAL 45 4.062 3.146 3.275 355 H ILE 46 HN ILE 46 6.452 3.619 2.901 356 HA ILE 46 HA ILE 46 6.019 2.375 0.378 357 HB ILE 46 HB ILE 46 7.577 4.918 1.027 358 HG12 ILE 46 HG12 ILE 46 4.776 4.623 -0.171 359 HG13 ILE 46 HG11 ILE 46 5.083 4.899 1.536 360 HG21 ILE 46 HG21 ILE 46 7.410 5.514 -1.389 361 HG22 ILE 46 HG22 ILE 46 6.690 3.938 -1.727 362 HG23 ILE 46 HG23 ILE 46 8.354 4.042 -1.152 363 HD11 ILE 46 HD11 ILE 46 4.443 6.938 0.419 364 HD12 ILE 46 HD12 ILE 46 5.787 6.782 -0.711 365 HD13 ILE 46 HD13 ILE 46 6.101 7.057 1.007 366 H THR 47 HN THR 47 8.980 3.101 2.214 367 HA THR 47 HA THR 47 10.919 2.204 0.402 368 HB THR 47 HB THR 47 11.055 2.102 3.450 369 HG1 THR 47 HG1 THR 47 10.668 4.196 2.135 370 HG21 THR 47 HG21 THR 47 12.886 0.794 2.383 371 HG22 THR 47 HG22 THR 47 13.504 2.245 3.170 372 HG23 THR 47 HG23 THR 47 13.321 2.208 1.416 373 H ALA 48 HN ALA 48 9.213 0.474 2.997 374 HA ALA 48 HA ALA 48 10.440 -2.054 2.674 375 HB1 ALA 48 HB1 ALA 48 8.588 -2.912 4.049 376 HB2 ALA 48 HB2 ALA 48 7.719 -1.390 3.830 377 HB3 ALA 48 HB3 ALA 48 9.244 -1.413 4.713 378 H LEU 49 HN LEU 49 7.510 -0.650 1.190 379 HA LEU 49 HA LEU 49 6.625 -2.849 -0.314 380 HB2 LEU 49 HB2 LEU 49 6.251 0.111 -0.471 381 HB3 LEU 49 HB1 LEU 49 6.063 -0.701 -2.005 382 HG LEU 49 HG LEU 49 3.889 -0.375 -1.007 383 HD11 LEU 49 HD11 LEU 49 3.001 -2.650 -1.019 384 HD12 LEU 49 HD12 LEU 49 4.635 -3.304 -0.869 385 HD13 LEU 49 HD13 LEU 49 4.170 -2.402 -2.315 386 HD21 LEU 49 HD21 LEU 49 3.198 -1.401 1.121 387 HD22 LEU 49 HD22 LEU 49 4.466 -0.200 1.346 388 HD23 LEU 49 HD23 LEU 49 4.862 -1.918 1.413 389 H GLU 50 HN GLU 50 8.938 -0.271 -1.183 390 HA GLU 50 HA GLU 50 9.674 -0.909 -3.761 391 HB2 GLU 50 HB2 GLU 50 11.615 0.054 -1.601 392 HB3 GLU 50 HB1 GLU 50 11.830 0.233 -3.336 393 HG2 GLU 50 HG2 GLU 50 9.640 1.571 -1.731 394 HG3 GLU 50 HG1 GLU 50 11.174 2.321 -2.143 395 H GLU 51 HN GLU 51 11.108 -2.067 -0.738 396 HA GLU 51 HA GLU 51 13.194 -3.597 -1.878 397 HB2 GLU 51 HB2 GLU 51 11.971 -3.886 0.897 398 HB3 GLU 51 HB1 GLU 51 13.556 -4.463 0.396 399 HG2 GLU 51 HG2 GLU 51 12.655 -1.591 0.741 400 HG3 GLU 51 HG1 GLU 51 13.838 -2.464 1.705 401 H TYR 52 HN TYR 52 10.061 -4.598 -0.459 402 HA TYR 52 HA TYR 52 10.535 -7.380 -0.728 403 HB2 TYR 52 HB2 TYR 52 8.121 -5.728 0.005 404 HB3 TYR 52 HB1 TYR 52 7.893 -7.440 -0.344 405 HD1 TYR 52 HD1 TYR 52 9.375 -9.124 0.915 406 HD2 TYR 52 HD2 TYR 52 8.877 -5.087 2.210 407 HE1 TYR 52 HE1 TYR 52 10.172 -9.748 3.142 408 HE2 TYR 52 HE2 TYR 52 9.673 -5.715 4.450 409 HH TYR 52 HH TYR 52 11.175 -8.743 5.062 410 H PHE 53 HN PHE 53 8.641 -5.155 -2.777 411 HA PHE 53 HA PHE 53 7.912 -7.362 -4.573 412 HB2 PHE 53 HB2 PHE 53 7.105 -4.435 -4.573 413 HB3 PHE 53 HB1 PHE 53 6.541 -5.610 -5.749 414 HD1 PHE 53 HD2 PHE 53 6.742 -5.322 -1.986 415 HD2 PHE 53 HD1 PHE 53 4.366 -6.378 -5.374 416 HE1 PHE 53 HE2 PHE 53 4.847 -5.837 -0.506 417 HE2 PHE 53 HE1 PHE 53 2.485 -6.887 -3.884 418 HZ PHE 53 HZ PHE 53 2.717 -6.618 -1.454 419 H ASP 54 HN ASP 54 10.365 -4.972 -4.336 420 HA ASP 54 HA ASP 54 12.138 -4.379 -5.602 421 HB2 ASP 54 HB2 ASP 54 11.319 -6.775 -7.294 422 HB3 ASP 54 HB1 ASP 54 12.769 -5.830 -7.616 423 H PHE 55 HN PHE 55 9.860 -2.919 -5.911 424 HA PHE 55 HA PHE 55 9.967 -1.999 -8.726 425 HB2 PHE 55 HB2 PHE 55 7.608 -1.822 -8.919 426 HB3 PHE 55 HB1 PHE 55 7.867 -3.410 -8.216 427 HD1 PHE 55 HD1 PHE 55 8.238 -2.612 -5.291 428 HD2 PHE 55 HD2 PHE 55 5.423 -1.319 -8.215 429 HE1 PHE 55 HE1 PHE 55 6.621 -2.096 -3.529 430 HE2 PHE 55 HE2 PHE 55 3.824 -0.810 -6.426 431 HZ PHE 55 HZ PHE 55 4.417 -1.209 -4.085 432 H SER 56 HN SER 56 8.747 0.276 -8.808 433 HA SER 56 HA SER 56 9.293 1.805 -6.337 434 HB2 SER 56 HB2 SER 56 11.060 2.157 -8.107 435 HB3 SER 56 HB1 SER 56 9.811 2.808 -9.167 436 HG SER 56 HG SER 56 10.395 3.833 -6.582 437 H VAL 57 HN VAL 57 7.372 2.398 -5.566 438 HA VAL 57 HA VAL 57 5.042 2.980 -7.115 439 HB VAL 57 HB VAL 57 5.484 3.997 -4.267 440 HG11 VAL 57 HG11 VAL 57 3.038 3.673 -4.054 441 HG12 VAL 57 HG12 VAL 57 2.971 3.059 -5.710 442 HG13 VAL 57 HG13 VAL 57 3.431 4.735 -5.410 443 HG21 VAL 57 HG21 VAL 57 4.637 1.166 -4.950 444 HG22 VAL 57 HG22 VAL 57 4.676 1.881 -3.338 445 HG23 VAL 57 HG23 VAL 57 6.175 1.640 -4.233 446 H ASP 58 HN ASP 58 4.729 4.817 -8.277 447 HA ASP 58 HA ASP 58 6.865 6.716 -8.506 448 HB2 ASP 58 HB2 ASP 58 5.617 5.875 -10.463 449 HB3 ASP 58 HB1 ASP 58 4.132 6.601 -9.857 450 H ASP 59 HN ASP 59 6.806 9.000 -8.100 451 HA ASP 59 HA ASP 59 5.615 9.789 -5.695 452 HB2 ASP 59 HB2 ASP 59 7.697 10.768 -6.704 453 HB3 ASP 59 HB1 ASP 59 6.702 11.619 -7.877 454 H ASP 60 HN ASP 60 4.551 10.405 -9.039 455 HA ASP 60 HA ASP 60 2.648 12.462 -8.452 456 HB2 ASP 60 HB2 ASP 60 2.950 10.693 -10.917 457 HB3 ASP 60 HB1 ASP 60 1.875 12.085 -10.821 458 H GLU 61 HN GLU 61 2.431 9.165 -7.852 459 HA GLU 61 HA GLU 61 -0.544 9.155 -8.028 460 HB2 GLU 61 HB2 GLU 61 -0.418 6.688 -8.221 461 HB3 GLU 61 HB1 GLU 61 0.460 7.487 -9.524 462 HG2 GLU 61 HG2 GLU 61 2.582 7.112 -8.285 463 HG3 GLU 61 HG1 GLU 61 1.676 6.242 -7.048 464 H ILE 62 HN ILE 62 2.094 9.145 -5.844 465 HA ILE 62 HA ILE 62 0.636 7.778 -3.697 466 HB ILE 62 HB ILE 62 3.302 9.266 -3.462 467 HG12 ILE 62 HG12 ILE 62 2.825 6.267 -3.843 468 HG13 ILE 62 HG11 ILE 62 3.486 7.355 -5.054 469 HG21 ILE 62 HG21 ILE 62 1.954 7.246 -1.610 470 HG22 ILE 62 HG22 ILE 62 2.124 8.977 -1.315 471 HG23 ILE 62 HG23 ILE 62 3.556 7.954 -1.365 472 HD11 ILE 62 HD11 ILE 62 4.771 6.632 -2.426 473 HD12 ILE 62 HD12 ILE 62 5.433 7.763 -3.610 474 HD13 ILE 62 HD13 ILE 62 5.236 6.062 -4.028 475 H SER 63 HN SER 63 -0.703 8.796 -2.407 476 HA SER 63 HA SER 63 -0.279 11.549 -1.500 477 HB2 SER 63 HB2 SER 63 -1.898 11.704 -3.379 478 HB3 SER 63 HB1 SER 63 -2.919 10.479 -2.627 479 HG SER 63 HG SER 63 -2.600 13.164 -2.025 480 H ALA 64 HN ALA 64 -1.897 11.954 0.419 481 HA ALA 64 HA ALA 64 -1.940 9.888 2.365 482 HB1 ALA 64 HB1 ALA 64 -3.740 12.338 2.156 483 HB2 ALA 64 HB2 ALA 64 -2.175 12.275 2.966 484 HB3 ALA 64 HB3 ALA 64 -3.530 11.337 3.596 485 H GLN 65 HN GLN 65 -4.091 10.837 -0.205 486 HA GLN 65 HA GLN 65 -6.379 9.268 0.453 487 HB2 GLN 65 HB2 GLN 65 -5.555 10.271 -2.304 488 HB3 GLN 65 HB1 GLN 65 -7.180 9.866 -1.760 489 HG2 GLN 65 HG2 GLN 65 -5.497 12.201 -0.796 490 HG3 GLN 65 HG1 GLN 65 -6.875 12.289 -1.885 491 HE21 GLN 65 HE21 GLN 65 -5.863 11.825 1.421 492 HE22 GLN 65 HE22 GLN 65 -7.416 12.042 2.138 493 H THR 66 HN THR 66 -3.317 8.453 -0.927 494 HA THR 66 HA THR 66 -4.061 5.978 -2.179 495 HB THR 66 HB THR 66 -1.360 6.973 -1.174 496 HG1 THR 66 HG1 THR 66 -1.857 6.870 -3.895 497 HG21 THR 66 HG21 THR 66 -1.278 4.523 -1.456 498 HG22 THR 66 HG22 THR 66 -0.336 5.323 -2.713 499 HG23 THR 66 HG23 THR 66 -1.933 4.676 -3.086 500 H PHE 67 HN PHE 67 -2.962 6.998 1.034 501 HA PHE 67 HA PHE 67 -2.895 4.251 2.075 502 HB2 PHE 67 HB2 PHE 67 -2.034 6.900 3.300 503 HB3 PHE 67 HB1 PHE 67 -1.917 5.350 4.130 504 HD1 PHE 67 HD2 PHE 67 -0.554 7.411 1.387 505 HD2 PHE 67 HD1 PHE 67 -0.229 3.709 3.496 506 HE1 PHE 67 HE2 PHE 67 1.635 7.003 0.353 507 HE2 PHE 67 HE1 PHE 67 1.950 3.304 2.436 508 HZ PHE 67 HZ PHE 67 2.882 4.948 0.868 509 H GLU 68 HN GLU 68 -5.443 5.964 1.492 510 HA GLU 68 HA GLU 68 -6.726 6.396 3.980 511 HB2 GLU 68 HB2 GLU 68 -8.842 6.514 2.730 512 HB3 GLU 68 HB1 GLU 68 -7.580 7.439 1.926 513 HG2 GLU 68 HG2 GLU 68 -7.309 5.698 0.247 514 HG3 GLU 68 HG1 GLU 68 -8.448 4.654 1.096 515 H THR 69 HN THR 69 -6.831 3.550 1.766 516 HA THR 69 HA THR 69 -7.502 1.826 4.065 517 HB THR 69 HB THR 69 -9.052 0.474 2.626 518 HG1 THR 69 HG1 THR 69 -8.658 2.630 0.807 519 HG21 THR 69 HG21 THR 69 -11.001 1.975 2.663 520 HG22 THR 69 HG22 THR 69 -9.942 3.367 2.879 521 HG23 THR 69 HG23 THR 69 -10.060 2.146 4.148 522 H LEU 70 HN LEU 70 -7.022 -0.441 3.718 523 HA LEU 70 HA LEU 70 -4.519 -1.063 2.645 524 HB2 LEU 70 HB2 LEU 70 -5.628 -2.428 4.389 525 HB3 LEU 70 HB1 LEU 70 -6.863 -2.923 3.239 526 HG LEU 70 HG LEU 70 -5.066 -4.082 1.885 527 HD11 LEU 70 HD11 LEU 70 -2.882 -4.515 2.905 528 HD12 LEU 70 HD12 LEU 70 -3.289 -3.453 4.254 529 HD13 LEU 70 HD13 LEU 70 -3.132 -2.792 2.627 530 HD21 LEU 70 HD21 LEU 70 -6.463 -5.393 3.408 531 HD22 LEU 70 HD22 LEU 70 -5.369 -5.052 4.749 532 HD23 LEU 70 HD23 LEU 70 -4.819 -6.030 3.385 533 H GLY 71 HN GLY 71 -7.752 -1.466 1.343 534 HA2 GLY 71 HA2 GLY 71 -7.189 -2.971 -0.974 535 HA3 GLY 71 HA1 GLY 71 -8.617 -1.983 -0.712 536 H SER 72 HN SER 72 -7.114 0.504 -0.345 537 HA SER 72 HA SER 72 -6.902 1.437 -2.994 538 HB2 SER 72 HB2 SER 72 -5.803 2.664 -0.429 539 HB3 SER 72 HB1 SER 72 -5.954 3.505 -1.980 540 HG SER 72 HG SER 72 -8.188 3.257 -1.845 541 H LEU 73 HN LEU 73 -4.273 0.749 -0.565 542 HA LEU 73 HA LEU 73 -2.068 1.184 -2.273 543 HB2 LEU 73 HB2 LEU 73 -2.371 -0.651 0.140 544 HB3 LEU 73 HB1 LEU 73 -0.862 -0.550 -0.745 545 HG LEU 73 HG LEU 73 -0.659 0.800 1.214 546 HD11 LEU 73 HD11 LEU 73 0.428 1.701 -0.773 547 HD12 LEU 73 HD12 LEU 73 -0.114 2.997 0.291 548 HD13 LEU 73 HD13 LEU 73 -1.025 2.624 -1.175 549 HD21 LEU 73 HD21 LEU 73 -3.147 2.296 0.375 550 HD22 LEU 73 HD22 LEU 73 -2.134 2.640 1.781 551 HD23 LEU 73 HD23 LEU 73 -3.032 1.127 1.693 552 H ALA 74 HN ALA 74 -4.016 -1.686 -1.663 553 HA ALA 74 HA ALA 74 -2.482 -3.570 -3.048 554 HB1 ALA 74 HB1 ALA 74 -4.403 -5.030 -2.909 555 HB2 ALA 74 HB2 ALA 74 -5.462 -3.658 -2.554 556 HB3 ALA 74 HB3 ALA 74 -4.226 -4.140 -1.393 557 H LEU 75 HN LEU 75 -5.174 -1.492 -4.162 558 HA LEU 75 HA LEU 75 -5.385 -2.555 -6.789 559 HB2 LEU 75 HB2 LEU 75 -6.477 -0.188 -5.370 560 HB3 LEU 75 HB1 LEU 75 -6.199 0.115 -7.067 561 HG LEU 75 HG LEU 75 -8.480 -0.521 -6.866 562 HD11 LEU 75 HD11 LEU 75 -6.996 -2.954 -7.894 563 HD12 LEU 75 HD12 LEU 75 -7.361 -1.488 -8.809 564 HD13 LEU 75 HD13 LEU 75 -8.672 -2.520 -8.245 565 HD21 LEU 75 HD21 LEU 75 -7.618 -2.958 -5.294 566 HD22 LEU 75 HD22 LEU 75 -9.267 -2.592 -5.805 567 HD23 LEU 75 HD23 LEU 75 -8.445 -1.534 -4.662 568 H PHE 76 HN PHE 76 -3.589 0.271 -5.497 569 HA PHE 76 HA PHE 76 -2.408 1.194 -7.855 570 HB2 PHE 76 HB2 PHE 76 -1.528 1.327 -4.952 571 HB3 PHE 76 HB1 PHE 76 -0.453 1.920 -6.208 572 HD1 PHE 76 HD1 PHE 76 -1.189 3.830 -7.687 573 HD2 PHE 76 HD2 PHE 76 -3.420 2.671 -4.231 574 HE1 PHE 76 HE1 PHE 76 -2.339 6.001 -7.691 575 HE2 PHE 76 HE2 PHE 76 -4.569 4.845 -4.244 576 HZ PHE 76 HZ PHE 76 -4.027 6.514 -5.975 577 H VAL 77 HN VAL 77 -1.098 -1.186 -5.523 578 HA VAL 77 HA VAL 77 1.258 -1.689 -7.022 579 HB VAL 77 HB VAL 77 1.795 -3.481 -5.455 580 HG11 VAL 77 HG11 VAL 77 1.863 -2.154 -3.368 581 HG12 VAL 77 HG12 VAL 77 0.677 -1.033 -4.036 582 HG13 VAL 77 HG13 VAL 77 2.272 -1.161 -4.776 583 HG21 VAL 77 HG21 VAL 77 -0.418 -4.490 -5.169 584 HG22 VAL 77 HG22 VAL 77 -0.973 -3.062 -4.297 585 HG23 VAL 77 HG23 VAL 77 0.284 -4.083 -3.597 586 H GLU 78 HN GLU 78 -1.960 -3.188 -7.145 587 HA GLU 78 HA GLU 78 -1.357 -5.455 -8.710 588 HB2 GLU 78 HB2 GLU 78 -3.781 -3.618 -9.026 589 HB3 GLU 78 HB1 GLU 78 -3.609 -5.180 -9.807 590 HG2 GLU 78 HG2 GLU 78 -4.023 -4.595 -6.888 591 HG3 GLU 78 HG1 GLU 78 -5.084 -5.461 -7.982 592 H HIS 79 HN HIS 79 -2.025 -2.090 -9.676 593 HA HIS 79 HA HIS 79 -1.669 -2.473 -12.492 594 HB2 HIS 79 HB2 HIS 79 -1.660 0.049 -10.785 595 HB3 HIS 79 HB1 HIS 79 -1.573 0.078 -12.544 596 HD1 HIS 79 HD1 HIS 79 -3.788 1.033 -13.161 597 HD2 HIS 79 HD2 HIS 79 -4.162 -2.039 -10.387 598 HE1 HIS 79 HE1 HIS 79 -6.253 0.699 -12.851 599 HE2 HIS 79 HE2 HIS 79 -6.437 -0.993 -10.997 600 H LYS 80 HN LYS 80 0.539 -1.703 -9.897 601 HA LYS 80 HA LYS 80 2.700 -0.625 -11.365 602 HB2 LYS 80 HB2 LYS 80 2.714 -2.135 -8.723 603 HB3 LYS 80 HB1 LYS 80 4.073 -1.210 -9.356 604 HG2 LYS 80 HG2 LYS 80 1.372 -0.078 -8.598 605 HG3 LYS 80 HG1 LYS 80 2.839 0.030 -7.632 606 HD2 LYS 80 HD2 LYS 80 2.547 1.171 -10.419 607 HD3 LYS 80 HD1 LYS 80 2.287 2.093 -8.937 608 HE2 LYS 80 HE2 LYS 80 4.640 1.612 -8.267 609 HE3 LYS 80 HE1 LYS 80 4.882 0.777 -9.804 610 HZ1 LYS 80 HZ1 LYS 80 5.657 3.098 -9.807 611 HZ2 LYS 80 HZ2 LYS 80 4.061 3.613 -9.566 612 HZ3 LYS 80 HZ3 LYS 80 4.482 2.790 -10.980 613 H LEU 81 HN LEU 81 2.282 -3.905 -10.048 614 HA LEU 81 HA LEU 81 4.602 -4.966 -11.328 615 HB2 LEU 81 HB2 LEU 81 2.300 -6.297 -9.868 616 HB3 LEU 81 HB1 LEU 81 3.580 -7.230 -10.615 617 HG LEU 81 HG LEU 81 4.141 -7.114 -8.308 618 HD11 LEU 81 HD11 LEU 81 5.854 -5.000 -9.641 619 HD12 LEU 81 HD12 LEU 81 6.059 -6.746 -9.795 620 HD13 LEU 81 HD13 LEU 81 6.283 -5.973 -8.229 621 HD21 LEU 81 HD21 LEU 81 2.670 -5.313 -7.587 622 HD22 LEU 81 HD22 LEU 81 3.717 -4.112 -8.347 623 HD23 LEU 81 HD23 LEU 81 4.305 -5.056 -6.972 624 H SER 82 HN SER 82 1.420 -4.359 -12.501 625 HA SER 82 HA SER 82 1.357 -6.167 -14.701 626 HB2 SER 82 HB2 SER 82 0.152 -3.372 -14.517 627 HB3 SER 82 HB1 SER 82 -0.291 -4.617 -15.685 628 HG SER 82 HG SER 82 -0.450 -5.460 -13.083 629 H HIS 83 HN HIS 83 2.810 -2.965 -14.222 630 HA HIS 83 HA HIS 83 3.717 -2.652 -16.951 631 HB2 HIS 83 HB2 HIS 83 4.281 -1.094 -14.395 632 HB3 HIS 83 HB1 HIS 83 5.022 -0.684 -15.939 633 HD1 HIS 83 HD1 HIS 83 1.948 -0.197 -13.968 634 HD2 HIS 83 HD2 HIS 83 3.143 0.216 -17.928 635 HE1 HIS 83 HE1 HIS 83 0.214 1.264 -15.052 636 HE2 HIS 83 HE2 HIS 83 0.883 1.367 -17.470 637 H282 PNS 84 H282 PNS 84 6.593 15.164 6.898 638 H281 PNS 84 H281 PNS 84 8.224 14.716 7.441 639 H303 PNS 84 H303 PNS 84 5.872 12.210 6.069 640 H302 PNS 84 H302 PNS 84 5.429 13.604 5.085 641 H301 PNS 84 H301 PNS 84 6.367 12.289 4.376 642 H313 PNS 84 H313 PNS 84 8.799 11.971 5.013 643 H312 PNS 84 H312 PNS 84 9.552 13.002 6.233 644 H311 PNS 84 H311 PNS 84 8.315 11.828 6.705 645 H32 PNS 84 H32 PNS 84 7.319 15.455 4.556 646 H33 PNS 84 H33 PNS 84 9.852 14.890 3.996 647 H36 PNS 84 H36 PNS 84 9.543 12.838 3.553 648 H372 PNS 84 H372 PNS 84 8.731 12.897 0.789 649 H371 PNS 84 H371 PNS 84 9.935 11.848 1.534 650 H382 PNS 84 H382 PNS 84 8.419 10.190 1.165 651 H381 PNS 84 H381 PNS 84 7.656 10.800 2.626 652 H41 PNS 84 H41 PNS 84 5.947 9.487 1.416 653 H422 PNS 84 H422 PNS 84 4.586 10.575 -0.840 654 H421 PNS 84 H421 PNS 84 3.987 9.343 0.266 655 H431 PNS 84 H431 PNS 84 3.905 12.323 0.778 656 H432 PNS 84 H432 PNS 84 3.259 11.066 1.840 657 H44 PNS 84 H44 PNS 84 2.144 11.108 -1.348 Start of MODEL 3 1 H MET 1 HT1 MET 1 -7.982 -9.806 -6.064 2 HA MET 1 HA MET 1 -6.069 -8.453 -6.185 3 HB2 MET 1 HB2 MET 1 -7.265 -7.137 -3.721 4 HB3 MET 1 HB1 MET 1 -5.532 -7.042 -4.031 5 HG2 MET 1 HG2 MET 1 -6.735 -5.063 -4.858 6 HG3 MET 1 HG1 MET 1 -5.915 -5.948 -6.148 7 HE1 MET 1 HE1 MET 1 -7.178 -5.373 -8.311 8 HE2 MET 1 HE2 MET 1 -7.806 -4.016 -7.373 9 HE3 MET 1 HE3 MET 1 -8.898 -4.990 -8.354 10 H GLN 2 HN GLN 2 -4.264 -9.446 -5.585 11 HA GLN 2 HA GLN 2 -4.373 -11.530 -3.512 12 HB2 GLN 2 HB2 GLN 2 -2.166 -12.288 -4.658 13 HB3 GLN 2 HB1 GLN 2 -3.684 -12.598 -5.477 14 HG2 GLN 2 HG2 GLN 2 -2.213 -10.076 -6.201 15 HG3 GLN 2 HG1 GLN 2 -1.536 -11.611 -6.754 16 HE21 GLN 2 HE21 GLN 2 -4.084 -9.309 -7.180 17 HE22 GLN 2 HE22 GLN 2 -4.829 -10.069 -8.535 18 H HIS 3 HN HIS 3 -2.679 -8.589 -4.462 19 HA HIS 3 HA HIS 3 -0.351 -9.035 -2.890 20 HB2 HIS 3 HB2 HIS 3 -1.350 -6.562 -4.324 21 HB3 HIS 3 HB1 HIS 3 0.193 -6.623 -3.475 22 HD1 HIS 3 HD1 HIS 3 1.122 -9.437 -4.467 23 HD2 HIS 3 HD2 HIS 3 -0.393 -6.445 -6.904 24 HE1 HIS 3 HE1 HIS 3 2.027 -9.916 -6.747 25 HE2 HIS 3 HE2 HIS 3 0.878 -8.248 -8.239 26 H LEU 4 HN LEU 4 -3.432 -7.669 -2.086 27 HA LEU 4 HA LEU 4 -2.883 -5.728 -0.207 28 HB2 LEU 4 HB2 LEU 4 -5.090 -5.926 0.600 29 HB3 LEU 4 HB1 LEU 4 -5.174 -6.398 -1.085 30 HG LEU 4 HG LEU 4 -5.250 -8.306 1.296 31 HD11 LEU 4 HD11 LEU 4 -7.479 -7.487 -0.585 32 HD12 LEU 4 HD12 LEU 4 -7.302 -6.988 1.100 33 HD13 LEU 4 HD13 LEU 4 -7.594 -8.683 0.713 34 HD21 LEU 4 HD21 LEU 4 -5.560 -8.947 -1.657 35 HD22 LEU 4 HD22 LEU 4 -5.819 -10.075 -0.323 36 HD23 LEU 4 HD23 LEU 4 -4.212 -9.418 -0.618 37 H GLU 5 HN GLU 5 -2.629 -9.204 0.212 38 HA GLU 5 HA GLU 5 -2.653 -9.174 3.078 39 HB2 GLU 5 HB2 GLU 5 -3.432 -11.136 1.816 40 HB3 GLU 5 HB1 GLU 5 -1.812 -11.385 1.167 41 HG2 GLU 5 HG2 GLU 5 -0.935 -11.898 3.355 42 HG3 GLU 5 HG1 GLU 5 -2.458 -11.458 4.131 43 H ALA 6 HN ALA 6 -0.101 -9.404 0.619 44 HA ALA 6 HA ALA 6 2.098 -9.457 2.435 45 HB1 ALA 6 HB1 ALA 6 2.050 -8.592 -0.470 46 HB2 ALA 6 HB2 ALA 6 2.322 -10.233 0.121 47 HB3 ALA 6 HB3 ALA 6 3.492 -8.961 0.481 48 H VAL 7 HN VAL 7 0.160 -6.864 1.046 49 HA VAL 7 HA VAL 7 1.834 -4.670 1.736 50 HB VAL 7 HB VAL 7 -1.214 -4.702 1.410 51 HG11 VAL 7 HG11 VAL 7 -0.462 -2.754 2.735 52 HG12 VAL 7 HG12 VAL 7 -1.037 -2.247 1.154 53 HG13 VAL 7 HG13 VAL 7 0.695 -2.321 1.471 54 HG21 VAL 7 HG21 VAL 7 -0.112 -5.341 -0.690 55 HG22 VAL 7 HG22 VAL 7 0.946 -3.930 -0.602 56 HG23 VAL 7 HG23 VAL 7 -0.794 -3.718 -0.841 57 H ARG 8 HN ARG 8 -0.917 -6.254 3.420 58 HA ARG 8 HA ARG 8 -0.765 -4.557 5.747 59 HB2 ARG 8 HB2 ARG 8 -2.431 -6.003 6.789 60 HB3 ARG 8 HB1 ARG 8 -2.905 -5.629 5.139 61 HG2 ARG 8 HG2 ARG 8 -2.084 -7.863 4.425 62 HG3 ARG 8 HG1 ARG 8 -1.702 -8.240 6.110 63 HD2 ARG 8 HD2 ARG 8 -4.085 -8.017 6.693 64 HD3 ARG 8 HD1 ARG 8 -4.469 -7.577 5.027 65 HE ARG 8 HE ARG 8 -3.158 -10.059 5.008 66 HH11 ARG 8 HH11 ARG 8 -6.200 -8.772 6.194 67 HH12 ARG 8 HH12 ARG 8 -7.077 -10.229 5.862 68 HH21 ARG 8 HH21 ARG 8 -4.328 -11.977 4.609 69 HH22 ARG 8 HH22 ARG 8 -6.017 -12.045 4.998 70 H ASN 9 HN ASN 9 0.776 -7.522 4.726 71 HA ASN 9 HA ASN 9 1.792 -8.442 7.184 72 HB2 ASN 9 HB2 ASN 9 1.886 -9.794 5.129 73 HB3 ASN 9 HB1 ASN 9 2.946 -8.618 4.366 74 HD21 ASN 9 HD21 ASN 9 4.619 -10.021 3.999 75 HD22 ASN 9 HD22 ASN 9 5.566 -10.737 5.252 76 H ILE 10 HN ILE 10 3.100 -6.269 4.708 77 HA ILE 10 HA ILE 10 5.500 -5.490 5.927 78 HB ILE 10 HB ILE 10 3.726 -4.130 3.860 79 HG12 ILE 10 HG12 ILE 10 6.434 -5.525 3.557 80 HG13 ILE 10 HG11 ILE 10 4.881 -6.283 3.236 81 HG21 ILE 10 HG21 ILE 10 4.940 -2.315 4.947 82 HG22 ILE 10 HG22 ILE 10 5.620 -2.588 3.344 83 HG23 ILE 10 HG23 ILE 10 6.467 -3.184 4.775 84 HD11 ILE 10 HD11 ILE 10 6.031 -3.930 1.754 85 HD12 ILE 10 HD12 ILE 10 4.475 -4.698 1.430 86 HD13 ILE 10 HD13 ILE 10 5.970 -5.601 1.195 87 H LEU 11 HN LEU 11 2.313 -3.802 5.935 88 HA LEU 11 HA LEU 11 3.170 -1.699 7.638 89 HB2 LEU 11 HB2 LEU 11 0.456 -2.657 6.731 90 HB3 LEU 11 HB1 LEU 11 0.557 -1.481 8.032 91 HG LEU 11 HG LEU 11 1.854 0.044 6.499 92 HD11 LEU 11 HD11 LEU 11 2.740 -1.578 4.894 93 HD12 LEU 11 HD12 LEU 11 1.823 -0.316 4.075 94 HD13 LEU 11 HD13 LEU 11 1.109 -1.914 4.307 95 HD21 LEU 11 HD21 LEU 11 -0.544 0.366 6.877 96 HD22 LEU 11 HD22 LEU 11 -0.913 -0.703 5.521 97 HD23 LEU 11 HD23 LEU 11 -0.083 0.828 5.240 98 H GLY 12 HN GLY 12 1.754 -4.865 8.329 99 HA2 GLY 12 HA2 GLY 12 1.416 -4.472 11.131 100 HA3 GLY 12 HA1 GLY 12 1.450 -6.008 10.291 101 H ASP 13 HN ASP 13 4.160 -5.249 9.150 102 HA ASP 13 HA ASP 13 5.809 -6.273 11.306 103 HB2 ASP 13 HB2 ASP 13 6.023 -6.963 8.875 104 HB3 ASP 13 HB1 ASP 13 6.585 -5.342 8.496 105 H VAL 14 HN VAL 14 5.788 -3.364 9.268 106 HA VAL 14 HA VAL 14 7.998 -2.076 10.526 107 HB VAL 14 HB VAL 14 5.951 -1.020 8.513 108 HG11 VAL 14 HG11 VAL 14 7.590 0.785 8.017 109 HG12 VAL 14 HG12 VAL 14 8.606 0.220 9.347 110 HG13 VAL 14 HG13 VAL 14 7.001 0.871 9.678 111 HG21 VAL 14 HG21 VAL 14 8.770 -2.096 8.061 112 HG22 VAL 14 HG22 VAL 14 7.713 -1.425 6.816 113 HG23 VAL 14 HG23 VAL 14 7.264 -2.917 7.639 114 H LEU 15 HN LEU 15 4.455 -1.505 10.531 115 HA LEU 15 HA LEU 15 4.665 0.620 12.519 116 HB2 LEU 15 HB2 LEU 15 2.139 -0.705 11.471 117 HB3 LEU 15 HB1 LEU 15 2.254 0.829 12.318 118 HG LEU 15 HG LEU 15 3.234 0.237 9.501 119 HD11 LEU 15 HD11 LEU 15 0.966 2.010 10.458 120 HD12 LEU 15 HD12 LEU 15 0.807 0.460 9.627 121 HD13 LEU 15 HD13 LEU 15 1.513 1.837 8.787 122 HD21 LEU 15 HD21 LEU 15 3.448 2.827 11.069 123 HD22 LEU 15 HD22 LEU 15 3.818 2.626 9.354 124 HD23 LEU 15 HD23 LEU 15 4.786 1.789 10.562 125 H ASN 16 HN ASN 16 4.585 -2.756 12.572 126 HA ASN 16 HA ASN 16 4.676 -4.276 14.202 127 HB2 ASN 16 HB2 ASN 16 6.207 -2.575 15.262 128 HB3 ASN 16 HB1 ASN 16 4.835 -1.937 16.153 129 HD21 ASN 16 HD21 ASN 16 7.030 -4.646 15.807 130 HD22 ASN 16 HD22 ASN 16 6.688 -5.376 17.336 131 H LEU 17 HN LEU 17 2.329 -4.231 13.270 132 HA LEU 17 HA LEU 17 0.263 -4.010 15.337 133 HB2 LEU 17 HB2 LEU 17 0.243 -4.728 12.391 134 HB3 LEU 17 HB1 LEU 17 -1.144 -5.107 13.388 135 HG LEU 17 HG LEU 17 -1.566 -2.753 13.831 136 HD11 LEU 17 HD11 LEU 17 0.917 -2.102 12.230 137 HD12 LEU 17 HD12 LEU 17 0.696 -1.874 13.965 138 HD13 LEU 17 HD13 LEU 17 -0.266 -0.934 12.830 139 HD21 LEU 17 HD21 LEU 17 -2.512 -3.692 11.765 140 HD22 LEU 17 HD22 LEU 17 -1.077 -3.197 10.865 141 HD23 LEU 17 HD23 LEU 17 -2.145 -1.979 11.569 142 H GLY 18 HN GLY 18 2.326 -6.380 13.808 143 HA2 GLY 18 HA2 GLY 18 2.786 -8.569 14.232 144 HA3 GLY 18 HA1 GLY 18 1.886 -8.415 15.734 145 H GLU 19 HN GLU 19 -0.347 -8.867 15.735 146 HA GLU 19 HA GLU 19 -1.231 -10.713 13.616 147 HB2 GLU 19 HB2 GLU 19 -1.047 -11.537 15.991 148 HB3 GLU 19 HB1 GLU 19 -2.284 -10.374 16.457 149 HG2 GLU 19 HG2 GLU 19 -3.863 -11.512 14.875 150 HG3 GLU 19 HG1 GLU 19 -2.625 -12.726 14.569 151 H ARG 20 HN ARG 20 -1.879 -7.562 14.932 152 HA ARG 20 HA ARG 20 -4.670 -7.326 14.491 153 HB2 ARG 20 HB2 ARG 20 -3.186 -5.814 15.897 154 HB3 ARG 20 HB1 ARG 20 -2.632 -5.062 14.418 155 HG2 ARG 20 HG2 ARG 20 -5.574 -5.087 15.133 156 HG3 ARG 20 HG1 ARG 20 -4.488 -3.894 15.836 157 HD2 ARG 20 HD2 ARG 20 -3.899 -3.133 13.538 158 HD3 ARG 20 HD1 ARG 20 -5.063 -4.283 12.879 159 HE ARG 20 HE ARG 20 -5.703 -1.919 14.532 160 HH11 ARG 20 HH11 ARG 20 -6.754 -4.329 12.190 161 HH12 ARG 20 HH12 ARG 20 -8.301 -3.582 11.950 162 HH21 ARG 20 HH21 ARG 20 -7.698 -0.942 14.190 163 HH22 ARG 20 HH22 ARG 20 -8.841 -1.655 13.096 164 H LYS 21 HN LYS 21 -1.955 -7.068 12.299 165 HA LYS 21 HA LYS 21 -3.198 -5.909 10.053 166 HB2 LYS 21 HB2 LYS 21 -1.382 -6.897 8.743 167 HB3 LYS 21 HB1 LYS 21 -0.769 -6.180 10.234 168 HG2 LYS 21 HG2 LYS 21 -0.625 -8.374 11.273 169 HG3 LYS 21 HG1 LYS 21 -1.326 -9.132 9.838 170 HD2 LYS 21 HD2 LYS 21 0.689 -8.193 8.562 171 HD3 LYS 21 HD1 LYS 21 1.390 -7.822 10.142 172 HE2 LYS 21 HE2 LYS 21 1.088 -10.237 10.750 173 HE3 LYS 21 HE1 LYS 21 0.584 -10.531 9.085 174 HZ1 LYS 21 HZ1 LYS 21 3.225 -9.502 9.951 175 HZ2 LYS 21 HZ2 LYS 21 2.744 -9.728 8.352 176 HZ3 LYS 21 HZ3 LYS 21 2.901 -11.059 9.377 177 H HIS 22 HN HIS 22 -3.230 -9.168 11.303 178 HA HIS 22 HA HIS 22 -4.191 -10.544 9.004 179 HB2 HIS 22 HB2 HIS 22 -2.899 -11.602 10.867 180 HB3 HIS 22 HB1 HIS 22 -4.256 -11.352 11.946 181 HD1 HIS 22 HD1 HIS 22 -2.998 -13.574 9.237 182 HD2 HIS 22 HD2 HIS 22 -6.411 -13.195 11.585 183 HE1 HIS 22 HE1 HIS 22 -4.249 -15.725 8.955 184 HE2 HIS 22 HE2 HIS 22 -6.364 -15.429 10.278 185 H THR 23 HN THR 23 -5.770 -8.756 11.590 186 HA THR 23 HA THR 23 -8.386 -9.997 11.063 187 HB THR 23 HB THR 23 -7.637 -9.702 13.443 188 HG1 THR 23 HG1 THR 23 -10.026 -9.222 12.363 189 HG21 THR 23 HG21 THR 23 -8.119 -6.742 12.945 190 HG22 THR 23 HG22 THR 23 -6.558 -7.484 13.294 191 HG23 THR 23 HG23 THR 23 -7.827 -7.489 14.519 192 H LEU 24 HN LEU 24 -6.688 -7.345 9.852 193 HA LEU 24 HA LEU 24 -9.169 -5.831 9.279 194 HB2 LEU 24 HB2 LEU 24 -7.720 -3.983 8.507 195 HB3 LEU 24 HB1 LEU 24 -7.454 -4.412 10.175 196 HG LEU 24 HG LEU 24 -5.369 -5.729 9.297 197 HD11 LEU 24 HD11 LEU 24 -5.856 -5.618 6.901 198 HD12 LEU 24 HD12 LEU 24 -4.323 -4.831 7.276 199 HD13 LEU 24 HD13 LEU 24 -5.755 -3.852 6.946 200 HD21 LEU 24 HD21 LEU 24 -5.372 -2.688 9.298 201 HD22 LEU 24 HD22 LEU 24 -3.951 -3.721 9.473 202 HD23 LEU 24 HD23 LEU 24 -5.201 -3.734 10.712 203 H THR 25 HN THR 25 -9.605 -5.167 7.118 204 HA THR 25 HA THR 25 -8.837 -7.190 5.093 205 HB THR 25 HB THR 25 -11.115 -6.703 4.095 206 HG1 THR 25 HG1 THR 25 -12.563 -5.592 5.725 207 HG21 THR 25 HG21 THR 25 -12.461 -7.905 5.792 208 HG22 THR 25 HG22 THR 25 -11.200 -7.635 6.996 209 HG23 THR 25 HG23 THR 25 -10.877 -8.656 5.593 210 H ALA 26 HN ALA 26 -9.577 -6.235 2.797 211 HA ALA 26 HA ALA 26 -7.920 -4.128 1.985 212 HB1 ALA 26 HB1 ALA 26 -8.818 -5.825 0.434 213 HB2 ALA 26 HB2 ALA 26 -9.171 -4.201 -0.144 214 HB3 ALA 26 HB3 ALA 26 -10.439 -5.161 0.623 215 H SER 27 HN SER 27 -11.413 -4.175 2.642 216 HA SER 27 HA SER 27 -11.874 -1.426 2.033 217 HB2 SER 27 HB2 SER 27 -13.625 -3.352 3.600 218 HB3 SER 27 HB1 SER 27 -14.147 -1.877 2.782 219 HG SER 27 HG SER 27 -13.000 -3.159 0.901 220 H SER 28 HN SER 28 -10.572 -2.966 4.810 221 HA SER 28 HA SER 28 -11.409 -1.167 6.861 222 HB2 SER 28 HB2 SER 28 -10.466 -3.424 7.343 223 HB3 SER 28 HB1 SER 28 -8.898 -2.901 6.731 224 HG SER 28 HG SER 28 -8.748 -1.457 8.442 225 H VAL 29 HN VAL 29 -10.388 0.607 7.684 226 HA VAL 29 HA VAL 29 -8.927 2.251 5.798 227 HB VAL 29 HB VAL 29 -9.954 2.852 8.622 228 HG11 VAL 29 HG11 VAL 29 -9.749 5.246 8.030 229 HG12 VAL 29 HG12 VAL 29 -9.007 4.804 6.490 230 HG13 VAL 29 HG13 VAL 29 -8.183 4.435 8.004 231 HG21 VAL 29 HG21 VAL 29 -11.790 2.268 7.097 232 HG22 VAL 29 HG22 VAL 29 -11.236 3.472 5.930 233 HG23 VAL 29 HG23 VAL 29 -11.851 3.984 7.505 234 H LEU 30 HN LEU 30 -6.890 3.211 6.230 235 HA LEU 30 HA LEU 30 -5.225 1.944 8.329 236 HB2 LEU 30 HB2 LEU 30 -4.358 3.117 5.663 237 HB3 LEU 30 HB1 LEU 30 -3.279 2.429 6.872 238 HG LEU 30 HG LEU 30 -5.432 0.882 5.364 239 HD11 LEU 30 HD11 LEU 30 -3.638 1.507 3.868 240 HD12 LEU 30 HD12 LEU 30 -3.554 -0.220 4.207 241 HD13 LEU 30 HD13 LEU 30 -2.430 0.887 4.995 242 HD21 LEU 30 HD21 LEU 30 -5.052 -0.073 7.610 243 HD22 LEU 30 HD22 LEU 30 -3.317 -0.160 7.295 244 HD23 LEU 30 HD23 LEU 30 -4.438 -1.148 6.355 245 H LEU 31 HN LEU 31 -5.029 5.000 6.369 246 HA LEU 31 HA LEU 31 -4.023 6.608 8.418 247 HB2 LEU 31 HB2 LEU 31 -5.563 7.273 5.901 248 HB3 LEU 31 HB1 LEU 31 -5.143 8.540 7.035 249 HG LEU 31 HG LEU 31 -3.161 6.773 5.557 250 HD11 LEU 31 HD11 LEU 31 -3.823 9.707 5.181 251 HD12 LEU 31 HD12 LEU 31 -4.230 8.392 4.073 252 HD13 LEU 31 HD13 LEU 31 -2.543 8.819 4.349 253 HD21 LEU 31 HD21 LEU 31 -2.611 9.098 7.442 254 HD22 LEU 31 HD22 LEU 31 -1.404 8.230 6.490 255 HD23 LEU 31 HD23 LEU 31 -2.278 7.395 7.770 256 H GLY 32 HN GLY 32 -4.897 6.946 10.288 257 HA2 GLY 32 HA2 GLY 32 -6.379 8.179 11.663 258 HA3 GLY 32 HA1 GLY 32 -7.703 7.828 10.563 259 H ASN 33 HN ASN 33 -6.931 4.957 10.382 260 HA ASN 33 HA ASN 33 -8.377 3.994 12.705 261 HB2 ASN 33 HB2 ASN 33 -8.784 2.986 10.487 262 HB3 ASN 33 HB1 ASN 33 -7.101 2.479 10.380 263 HD21 ASN 33 HD21 ASN 33 -7.599 0.293 10.196 264 HD22 ASN 33 HD22 ASN 33 -8.269 -0.644 11.478 265 H ILE 34 HN ILE 34 -5.140 3.439 11.312 266 HA ILE 34 HA ILE 34 -4.212 2.047 13.701 267 HB ILE 34 HB ILE 34 -2.575 2.763 11.230 268 HG12 ILE 34 HG12 ILE 34 -4.519 1.443 10.467 269 HG13 ILE 34 HG11 ILE 34 -3.067 0.458 10.367 270 HG21 ILE 34 HG21 ILE 34 -1.214 2.141 13.156 271 HG22 ILE 34 HG22 ILE 34 -1.132 0.870 11.935 272 HG23 ILE 34 HG23 ILE 34 -2.138 0.651 13.371 273 HD11 ILE 34 HD11 ILE 34 -4.928 -0.847 11.178 274 HD12 ILE 34 HD12 ILE 34 -5.204 0.284 12.500 275 HD13 ILE 34 HD13 ILE 34 -3.726 -0.685 12.458 276 HA PRO 35 HA PRO 35 -2.802 6.091 15.241 277 HB2 PRO 35 HB2 PRO 35 -1.678 5.263 17.606 278 HB3 PRO 35 HB1 PRO 35 -3.428 5.369 17.367 279 HG2 PRO 35 HG2 PRO 35 -1.641 2.950 17.235 280 HG3 PRO 35 HG1 PRO 35 -3.240 3.122 17.988 281 HD2 PRO 35 HD2 PRO 35 -2.861 1.980 15.523 282 HD3 PRO 35 HD1 PRO 35 -4.355 2.824 15.969 283 H GLU 36 HN GLU 36 -0.847 3.407 14.372 284 HA GLU 36 HA GLU 36 1.718 4.585 15.030 285 HB2 GLU 36 HB2 GLU 36 1.127 2.038 13.467 286 HB3 GLU 36 HB1 GLU 36 2.656 2.484 14.222 287 HG2 GLU 36 HG2 GLU 36 0.069 1.705 15.602 288 HG3 GLU 36 HG1 GLU 36 1.592 0.812 15.580 289 H LEU 37 HN LEU 37 -0.431 4.673 12.361 290 HA LEU 37 HA LEU 37 1.629 4.905 10.308 291 HB2 LEU 37 HB2 LEU 37 -0.519 3.714 9.882 292 HB3 LEU 37 HB1 LEU 37 -1.380 5.229 10.086 293 HG LEU 37 HG LEU 37 -0.193 6.155 8.090 294 HD11 LEU 37 HD11 LEU 37 1.859 4.811 8.158 295 HD12 LEU 37 HD12 LEU 37 1.070 4.676 6.588 296 HD13 LEU 37 HD13 LEU 37 0.938 3.357 7.754 297 HD21 LEU 37 HD21 LEU 37 -1.457 4.902 6.409 298 HD22 LEU 37 HD22 LEU 37 -2.432 5.145 7.867 299 HD23 LEU 37 HD23 LEU 37 -1.686 3.570 7.548 300 H ASP 38 HN ASP 38 2.677 6.701 11.278 301 HA ASP 38 HA ASP 38 1.520 9.391 11.112 302 HB2 ASP 38 HB2 ASP 38 2.790 8.872 13.123 303 HB3 ASP 38 HB1 ASP 38 4.104 8.164 12.202 304 H SER 39 HN SER 39 3.148 11.055 10.097 305 HA SER 39 HA SER 39 3.677 10.889 7.448 306 HB2 SER 39 HB2 SER 39 4.982 12.396 9.702 307 HB3 SER 39 HB1 SER 39 5.710 12.495 8.103 308 H MET 40 HN MET 40 6.296 10.272 9.874 309 HA MET 40 HA MET 40 8.130 9.416 7.864 310 HB2 MET 40 HB2 MET 40 8.196 9.049 10.875 311 HB3 MET 40 HB1 MET 40 9.527 8.665 9.784 312 HG2 MET 40 HG2 MET 40 8.306 11.424 10.085 313 HG3 MET 40 HG1 MET 40 9.771 10.872 10.908 314 HE1 MET 40 HE1 MET 40 11.260 13.320 8.263 315 HE2 MET 40 HE2 MET 40 11.211 12.865 9.966 316 HE3 MET 40 HE3 MET 40 9.769 13.518 9.183 317 H ALA 41 HN ALA 41 5.785 7.769 9.799 318 HA ALA 41 HA ALA 41 6.540 5.091 9.378 319 HB1 ALA 41 HB1 ALA 41 4.249 4.563 10.062 320 HB2 ALA 41 HB2 ALA 41 3.788 6.250 9.862 321 HB3 ALA 41 HB3 ALA 41 4.956 5.793 11.104 322 H VAL 42 HN VAL 42 4.458 7.290 7.386 323 HA VAL 42 HA VAL 42 3.707 5.266 5.518 324 HB VAL 42 HB VAL 42 2.928 6.938 3.967 325 HG11 VAL 42 HG11 VAL 42 1.368 8.275 5.329 326 HG12 VAL 42 HG12 VAL 42 2.285 7.862 6.778 327 HG13 VAL 42 HG13 VAL 42 1.457 6.597 5.873 328 HG21 VAL 42 HG21 VAL 42 3.304 9.331 4.131 329 HG22 VAL 42 HG22 VAL 42 4.865 8.515 4.074 330 HG23 VAL 42 HG23 VAL 42 4.244 9.129 5.600 331 H VAL 43 HN VAL 43 6.474 7.444 5.783 332 HA VAL 43 HA VAL 43 7.642 7.032 3.221 333 HB VAL 43 HB VAL 43 9.158 7.482 5.830 334 HG11 VAL 43 HG11 VAL 43 10.852 8.615 4.440 335 HG12 VAL 43 HG12 VAL 43 9.935 8.222 2.983 336 HG13 VAL 43 HG13 VAL 43 10.648 6.931 3.953 337 HG21 VAL 43 HG21 VAL 43 7.370 9.104 5.661 338 HG22 VAL 43 HG22 VAL 43 7.872 9.548 4.026 339 HG23 VAL 43 HG23 VAL 43 8.926 9.897 5.401 340 H ASN 44 HN ASN 44 8.124 5.439 6.306 341 HA ASN 44 HA ASN 44 10.065 3.554 5.647 342 HB2 ASN 44 HB2 ASN 44 7.945 3.694 7.796 343 HB3 ASN 44 HB1 ASN 44 9.105 2.358 7.747 344 HD21 ASN 44 HD21 ASN 44 8.663 4.531 9.727 345 HD22 ASN 44 HD22 ASN 44 10.189 5.323 9.901 346 H VAL 45 HN VAL 45 6.504 3.197 5.631 347 HA VAL 45 HA VAL 45 6.619 0.423 4.882 348 HB VAL 45 HB VAL 45 4.152 0.555 4.555 349 HG11 VAL 45 HG11 VAL 45 3.568 0.987 6.931 350 HG12 VAL 45 HG12 VAL 45 5.139 1.755 7.175 351 HG13 VAL 45 HG13 VAL 45 5.049 0.036 6.786 352 HG21 VAL 45 HG21 VAL 45 3.945 2.844 3.719 353 HG22 VAL 45 HG22 VAL 45 4.476 3.483 5.276 354 HG23 VAL 45 HG23 VAL 45 2.933 2.628 5.151 355 H ILE 46 HN ILE 46 6.355 3.453 3.011 356 HA ILE 46 HA ILE 46 5.688 2.290 0.492 357 HB ILE 46 HB ILE 46 7.276 4.830 1.090 358 HG12 ILE 46 HG12 ILE 46 4.424 4.525 0.056 359 HG13 ILE 46 HG11 ILE 46 4.834 4.788 1.747 360 HG21 ILE 46 HG21 ILE 46 6.959 5.491 -1.289 361 HG22 ILE 46 HG22 ILE 46 6.253 3.910 -1.632 362 HG23 ILE 46 HG23 ILE 46 7.945 4.034 -1.148 363 HD11 ILE 46 HD11 ILE 46 5.373 6.688 -0.538 364 HD12 ILE 46 HD12 ILE 46 5.813 6.964 1.150 365 HD13 ILE 46 HD13 ILE 46 4.116 6.839 0.687 366 H THR 47 HN THR 47 8.775 3.084 2.026 367 HA THR 47 HA THR 47 10.570 2.212 0.074 368 HB THR 47 HB THR 47 10.926 2.132 3.109 369 HG1 THR 47 HG1 THR 47 10.815 4.172 1.267 370 HG21 THR 47 HG21 THR 47 13.355 2.363 2.634 371 HG22 THR 47 HG22 THR 47 13.033 2.237 0.903 372 HG23 THR 47 HG23 THR 47 12.719 0.860 1.962 373 H ALA 48 HN ALA 48 9.128 0.462 2.818 374 HA ALA 48 HA ALA 48 10.345 -2.039 2.397 375 HB1 ALA 48 HB1 ALA 48 9.338 -1.391 4.531 376 HB2 ALA 48 HB2 ALA 48 8.639 -2.903 3.948 377 HB3 ALA 48 HB3 ALA 48 7.736 -1.394 3.792 378 H LEU 49 HN LEU 49 7.207 -0.748 1.186 379 HA LEU 49 HA LEU 49 6.227 -3.034 -0.115 380 HB2 LEU 49 HB2 LEU 49 5.721 -0.105 -0.315 381 HB3 LEU 49 HB1 LEU 49 5.421 -0.946 -1.816 382 HG LEU 49 HG LEU 49 3.331 -0.719 -0.646 383 HD11 LEU 49 HD11 LEU 49 2.579 -3.035 -0.480 384 HD12 LEU 49 HD12 LEU 49 4.254 -3.599 -0.437 385 HD13 LEU 49 HD13 LEU 49 3.622 -2.801 -1.882 386 HD21 LEU 49 HD21 LEU 49 4.128 -0.413 1.643 387 HD22 LEU 49 HD22 LEU 49 4.586 -2.113 1.742 388 HD23 LEU 49 HD23 LEU 49 2.885 -1.661 1.583 389 H GLU 50 HN GLU 50 8.322 -0.462 -1.315 390 HA GLU 50 HA GLU 50 8.712 -1.381 -3.948 391 HB2 GLU 50 HB2 GLU 50 10.456 0.414 -2.214 392 HB3 GLU 50 HB1 GLU 50 10.624 0.231 -3.961 393 HG2 GLU 50 HG2 GLU 50 8.405 1.176 -4.316 394 HG3 GLU 50 HG1 GLU 50 8.133 1.270 -2.578 395 H GLU 51 HN GLU 51 10.549 -1.997 -0.964 396 HA GLU 51 HA GLU 51 12.778 -3.319 -2.131 397 HB2 GLU 51 HB2 GLU 51 11.621 -3.395 0.686 398 HB3 GLU 51 HB1 GLU 51 13.103 -4.235 0.244 399 HG2 GLU 51 HG2 GLU 51 12.695 -1.240 -0.008 400 HG3 GLU 51 HG1 GLU 51 13.455 -2.031 1.371 401 H TYR 52 HN TYR 52 9.888 -4.616 -0.469 402 HA TYR 52 HA TYR 52 10.414 -7.351 -0.726 403 HB2 TYR 52 HB2 TYR 52 7.813 -5.818 -0.397 404 HB3 TYR 52 HB1 TYR 52 7.820 -7.570 -0.527 405 HD1 TYR 52 HD2 TYR 52 9.997 -5.166 1.450 406 HD2 TYR 52 HD1 TYR 52 7.306 -8.474 1.554 407 HE1 TYR 52 HE2 TYR 52 10.281 -5.331 3.886 408 HE2 TYR 52 HE1 TYR 52 7.598 -8.637 3.983 409 HH TYR 52 HH TYR 52 9.046 -6.182 5.812 410 H PHE 53 HN PHE 53 8.282 -5.321 -2.751 411 HA PHE 53 HA PHE 53 7.742 -7.510 -4.576 412 HB2 PHE 53 HB2 PHE 53 6.802 -4.630 -4.508 413 HB3 PHE 53 HB1 PHE 53 6.300 -5.778 -5.738 414 HD1 PHE 53 HD1 PHE 53 6.311 -5.321 -1.998 415 HD2 PHE 53 HD2 PHE 53 4.326 -7.009 -5.388 416 HE1 PHE 53 HE1 PHE 53 4.417 -5.985 -0.572 417 HE2 PHE 53 HE2 PHE 53 2.444 -7.665 -3.953 418 HZ PHE 53 HZ PHE 53 2.482 -7.153 -1.552 419 H ASP 54 HN ASP 54 10.072 -4.977 -4.419 420 HA ASP 54 HA ASP 54 11.733 -4.278 -5.755 421 HB2 ASP 54 HB2 ASP 54 11.124 -6.859 -7.239 422 HB3 ASP 54 HB1 ASP 54 12.429 -5.786 -7.730 423 H PHE 55 HN PHE 55 9.752 -2.765 -6.034 424 HA PHE 55 HA PHE 55 9.916 -1.888 -8.837 425 HB2 PHE 55 HB2 PHE 55 7.580 -1.412 -9.033 426 HB3 PHE 55 HB1 PHE 55 7.677 -3.070 -8.457 427 HD1 PHE 55 HD1 PHE 55 7.533 -3.321 -5.794 428 HD2 PHE 55 HD2 PHE 55 6.061 0.033 -7.982 429 HE1 PHE 55 HE1 PHE 55 6.011 -2.771 -3.944 430 HE2 PHE 55 HE2 PHE 55 4.548 0.570 -6.129 431 HZ PHE 55 HZ PHE 55 4.520 -0.827 -4.107 432 H SER 56 HN SER 56 8.859 0.502 -8.851 433 HA SER 56 HA SER 56 9.505 1.920 -6.329 434 HB2 SER 56 HB2 SER 56 10.146 2.826 -9.173 435 HB3 SER 56 HB1 SER 56 10.458 3.748 -7.702 436 HG SER 56 HG SER 56 11.633 1.587 -7.153 437 H VAL 57 HN VAL 57 7.727 2.903 -5.538 438 HA VAL 57 HA VAL 57 5.381 3.517 -7.137 439 HB VAL 57 HB VAL 57 5.753 4.726 -4.362 440 HG11 VAL 57 HG11 VAL 57 3.330 4.294 -4.158 441 HG12 VAL 57 HG12 VAL 57 3.330 3.507 -5.739 442 HG13 VAL 57 HG13 VAL 57 3.700 5.227 -5.611 443 HG21 VAL 57 HG21 VAL 57 5.043 2.692 -3.212 444 HG22 VAL 57 HG22 VAL 57 6.560 2.413 -4.066 445 HG23 VAL 57 HG23 VAL 57 5.050 1.798 -4.732 446 H ASP 58 HN ASP 58 5.022 5.476 -8.160 447 HA ASP 58 HA ASP 58 7.139 7.509 -8.052 448 HB2 ASP 58 HB2 ASP 58 6.449 6.648 -10.243 449 HB3 ASP 58 HB1 ASP 58 4.778 7.106 -9.933 450 H ASP 59 HN ASP 59 6.637 9.795 -7.828 451 HA ASP 59 HA ASP 59 5.145 10.424 -5.545 452 HB2 ASP 59 HB2 ASP 59 7.056 11.763 -6.214 453 HB3 ASP 59 HB1 ASP 59 6.285 12.206 -7.735 454 H ASP 60 HN ASP 60 4.177 10.558 -8.938 455 HA ASP 60 HA ASP 60 2.037 12.385 -8.822 456 HB2 ASP 60 HB2 ASP 60 3.093 11.661 -10.932 457 HB3 ASP 60 HB1 ASP 60 2.486 10.026 -10.707 458 H GLU 61 HN GLU 61 2.204 9.000 -8.025 459 HA GLU 61 HA GLU 61 -0.730 8.700 -7.879 460 HB2 GLU 61 HB2 GLU 61 -0.318 6.293 -7.846 461 HB3 GLU 61 HB1 GLU 61 0.543 7.020 -9.199 462 HG2 GLU 61 HG2 GLU 61 2.613 7.020 -7.741 463 HG3 GLU 61 HG1 GLU 61 1.710 6.066 -6.570 464 H ILE 62 HN ILE 62 2.016 9.217 -5.884 465 HA ILE 62 HA ILE 62 0.941 7.976 -3.484 466 HB ILE 62 HB ILE 62 3.398 9.743 -3.898 467 HG12 ILE 62 HG12 ILE 62 3.132 6.734 -3.420 468 HG13 ILE 62 HG11 ILE 62 3.721 7.523 -4.878 469 HG21 ILE 62 HG21 ILE 62 4.056 9.146 -1.584 470 HG22 ILE 62 HG22 ILE 62 2.507 8.331 -1.361 471 HG23 ILE 62 HG23 ILE 62 2.559 10.073 -1.626 472 HD11 ILE 62 HD11 ILE 62 5.531 6.563 -3.544 473 HD12 ILE 62 HD12 ILE 62 5.087 7.598 -2.179 474 HD13 ILE 62 HD13 ILE 62 5.687 8.314 -3.680 475 H SER 63 HN SER 63 -0.659 8.937 -2.379 476 HA SER 63 HA SER 63 -0.255 11.617 -1.309 477 HB2 SER 63 HB2 SER 63 -2.575 12.339 -1.873 478 HB3 SER 63 HB1 SER 63 -1.638 12.035 -3.339 479 HG SER 63 HG SER 63 -2.634 9.899 -3.324 480 H ALA 64 HN ALA 64 -2.440 11.961 0.191 481 HA ALA 64 HA ALA 64 -2.504 9.914 2.165 482 HB1 ALA 64 HB1 ALA 64 -4.451 12.200 1.724 483 HB2 ALA 64 HB2 ALA 64 -2.990 12.255 2.712 484 HB3 ALA 64 HB3 ALA 64 -4.331 11.211 3.183 485 H GLN 65 HN GLN 65 -4.387 10.577 -0.688 486 HA GLN 65 HA GLN 65 -6.596 8.835 -0.244 487 HB2 GLN 65 HB2 GLN 65 -5.440 9.795 -2.895 488 HB3 GLN 65 HB1 GLN 65 -7.039 9.099 -2.653 489 HG2 GLN 65 HG2 GLN 65 -6.035 11.765 -1.619 490 HG3 GLN 65 HG1 GLN 65 -7.233 11.497 -2.885 491 HE21 GLN 65 HE21 GLN 65 -6.635 11.545 0.530 492 HE22 GLN 65 HE22 GLN 65 -8.278 11.403 1.040 493 H THR 66 HN THR 66 -3.321 8.184 -1.000 494 HA THR 66 HA THR 66 -3.690 5.612 -2.247 495 HB THR 66 HB THR 66 -1.221 6.838 -0.935 496 HG1 THR 66 HG1 THR 66 -1.661 6.735 -3.717 497 HG21 THR 66 HG21 THR 66 -1.413 4.560 -2.949 498 HG22 THR 66 HG22 THR 66 -0.961 4.391 -1.253 499 HG23 THR 66 HG23 THR 66 0.083 5.283 -2.359 500 H PHE 67 HN PHE 67 -3.041 6.870 1.023 501 HA PHE 67 HA PHE 67 -2.909 4.148 2.159 502 HB2 PHE 67 HB2 PHE 67 -2.036 6.863 3.198 503 HB3 PHE 67 HB1 PHE 67 -2.088 5.442 4.236 504 HD1 PHE 67 HD2 PHE 67 -0.374 7.021 1.361 505 HD2 PHE 67 HD1 PHE 67 -0.494 3.640 3.985 506 HE1 PHE 67 HE2 PHE 67 1.848 6.313 0.573 507 HE2 PHE 67 HE1 PHE 67 1.717 2.948 3.184 508 HZ PHE 67 HZ PHE 67 2.881 4.273 1.483 509 H GLU 68 HN GLU 68 -5.434 5.868 1.455 510 HA GLU 68 HA GLU 68 -6.836 6.328 3.854 511 HB2 GLU 68 HB2 GLU 68 -8.925 6.169 2.461 512 HB3 GLU 68 HB1 GLU 68 -7.712 7.275 1.833 513 HG2 GLU 68 HG2 GLU 68 -7.086 5.743 0.098 514 HG3 GLU 68 HG1 GLU 68 -8.057 4.455 0.811 515 H THR 69 HN THR 69 -6.839 3.411 1.740 516 HA THR 69 HA THR 69 -7.532 1.733 4.070 517 HB THR 69 HB THR 69 -9.061 0.358 2.643 518 HG1 THR 69 HG1 THR 69 -8.619 2.444 0.752 519 HG21 THR 69 HG21 THR 69 -11.011 1.866 2.592 520 HG22 THR 69 HG22 THR 69 -9.951 3.263 2.775 521 HG23 THR 69 HG23 THR 69 -10.094 2.089 4.086 522 H LEU 70 HN LEU 70 -7.103 -0.580 3.656 523 HA LEU 70 HA LEU 70 -4.508 -1.096 2.667 524 HB2 LEU 70 HB2 LEU 70 -5.600 -2.442 4.436 525 HB3 LEU 70 HB1 LEU 70 -6.771 -3.040 3.271 526 HG LEU 70 HG LEU 70 -4.818 -4.101 2.001 527 HD11 LEU 70 HD11 LEU 70 -3.275 -3.389 4.506 528 HD12 LEU 70 HD12 LEU 70 -3.016 -2.723 2.890 529 HD13 LEU 70 HD13 LEU 70 -2.704 -4.431 3.198 530 HD21 LEU 70 HD21 LEU 70 -4.628 -6.046 3.502 531 HD22 LEU 70 HD22 LEU 70 -6.289 -5.465 3.413 532 HD23 LEU 70 HD23 LEU 70 -5.306 -5.094 4.829 533 H GLY 71 HN GLY 71 -7.667 -1.399 1.259 534 HA2 GLY 71 HA2 GLY 71 -7.090 -3.020 -0.998 535 HA3 GLY 71 HA1 GLY 71 -8.506 -1.998 -0.784 536 H SER 72 HN SER 72 -7.005 0.442 -0.362 537 HA SER 72 HA SER 72 -6.646 1.383 -2.987 538 HB2 SER 72 HB2 SER 72 -5.571 2.578 -0.398 539 HB3 SER 72 HB1 SER 72 -5.802 3.429 -1.933 540 HG SER 72 HG SER 72 -7.983 3.219 -1.718 541 H LEU 73 HN LEU 73 -4.168 0.623 -0.432 542 HA LEU 73 HA LEU 73 -1.874 1.001 -2.012 543 HB2 LEU 73 HB2 LEU 73 -2.355 -0.818 0.371 544 HB3 LEU 73 HB1 LEU 73 -0.802 -0.778 -0.439 545 HG LEU 73 HG LEU 73 -0.605 0.579 1.497 546 HD11 LEU 73 HD11 LEU 73 -0.005 2.771 0.604 547 HD12 LEU 73 HD12 LEU 73 -0.891 2.432 -0.883 548 HD13 LEU 73 HD13 LEU 73 0.533 1.475 -0.462 549 HD21 LEU 73 HD21 LEU 73 -3.073 2.104 0.636 550 HD22 LEU 73 HD22 LEU 73 -2.055 2.474 2.031 551 HD23 LEU 73 HD23 LEU 73 -2.960 0.964 1.978 552 H ALA 74 HN ALA 74 -3.896 -1.870 -1.540 553 HA ALA 74 HA ALA 74 -2.413 -3.751 -2.983 554 HB1 ALA 74 HB1 ALA 74 -4.454 -5.069 -3.106 555 HB2 ALA 74 HB2 ALA 74 -5.428 -3.653 -2.677 556 HB3 ALA 74 HB3 ALA 74 -4.300 -4.337 -1.507 557 H LEU 75 HN LEU 75 -4.936 -1.489 -4.048 558 HA LEU 75 HA LEU 75 -5.234 -2.315 -6.712 559 HB2 LEU 75 HB2 LEU 75 -6.041 0.023 -5.093 560 HB3 LEU 75 HB1 LEU 75 -5.718 0.469 -6.751 561 HG LEU 75 HG LEU 75 -8.104 0.038 -6.419 562 HD11 LEU 75 HD11 LEU 75 -6.822 -2.096 -8.146 563 HD12 LEU 75 HD12 LEU 75 -7.162 -0.429 -8.619 564 HD13 LEU 75 HD13 LEU 75 -8.490 -1.526 -8.257 565 HD21 LEU 75 HD21 LEU 75 -8.969 -2.206 -5.887 566 HD22 LEU 75 HD22 LEU 75 -8.003 -1.555 -4.566 567 HD23 LEU 75 HD23 LEU 75 -7.321 -2.789 -5.630 568 H PHE 76 HN PHE 76 -3.246 0.340 -5.355 569 HA PHE 76 HA PHE 76 -1.980 1.191 -7.692 570 HB2 PHE 76 HB2 PHE 76 -1.068 1.290 -4.789 571 HB3 PHE 76 HB1 PHE 76 -0.082 1.961 -6.085 572 HD1 PHE 76 HD1 PHE 76 -0.964 3.869 -7.472 573 HD2 PHE 76 HD2 PHE 76 -3.004 2.508 -3.976 574 HE1 PHE 76 HE1 PHE 76 -2.250 5.963 -7.397 575 HE2 PHE 76 HE2 PHE 76 -4.282 4.604 -3.908 576 HZ PHE 76 HZ PHE 76 -3.906 6.333 -5.618 577 H VAL 77 HN VAL 77 -0.742 -1.187 -5.289 578 HA VAL 77 HA VAL 77 1.617 -1.759 -6.760 579 HB VAL 77 HB VAL 77 2.085 -3.566 -5.196 580 HG11 VAL 77 HG11 VAL 77 2.082 -2.280 -3.078 581 HG12 VAL 77 HG12 VAL 77 0.932 -1.136 -3.773 582 HG13 VAL 77 HG13 VAL 77 2.554 -1.276 -4.450 583 HG21 VAL 77 HG21 VAL 77 0.507 -4.213 -3.402 584 HG22 VAL 77 HG22 VAL 77 -0.144 -4.577 -5.000 585 HG23 VAL 77 HG23 VAL 77 -0.729 -3.170 -4.115 586 H GLU 78 HN GLU 78 -1.635 -3.183 -6.950 587 HA GLU 78 HA GLU 78 -1.019 -5.476 -8.492 588 HB2 GLU 78 HB2 GLU 78 -3.473 -3.669 -8.644 589 HB3 GLU 78 HB1 GLU 78 -3.316 -5.144 -9.584 590 HG2 GLU 78 HG2 GLU 78 -3.403 -4.970 -6.568 591 HG3 GLU 78 HG1 GLU 78 -4.739 -5.437 -7.605 592 H HIS 79 HN HIS 79 -1.777 -2.122 -9.469 593 HA HIS 79 HA HIS 79 -1.436 -2.420 -12.258 594 HB2 HIS 79 HB2 HIS 79 -1.249 0.030 -10.461 595 HB3 HIS 79 HB1 HIS 79 -1.133 0.136 -12.214 596 HD1 HIS 79 HD1 HIS 79 -3.316 -0.705 -13.550 597 HD2 HIS 79 HD2 HIS 79 -3.832 0.075 -9.508 598 HE1 HIS 79 HE1 HIS 79 -5.789 -0.466 -13.217 599 HE2 HIS 79 HE2 HIS 79 -6.080 -0.248 -10.736 600 H LYS 80 HN LYS 80 0.875 -1.617 -9.719 601 HA LYS 80 HA LYS 80 3.011 -0.719 -11.364 602 HB2 LYS 80 HB2 LYS 80 3.121 -1.844 -8.534 603 HB3 LYS 80 HB1 LYS 80 4.407 -0.936 -9.323 604 HG2 LYS 80 HG2 LYS 80 1.669 0.114 -8.562 605 HG3 LYS 80 HG1 LYS 80 3.193 0.485 -7.760 606 HD2 LYS 80 HD2 LYS 80 2.580 1.167 -10.658 607 HD3 LYS 80 HD1 LYS 80 2.336 2.279 -9.312 608 HE2 LYS 80 HE2 LYS 80 4.748 2.195 -8.798 609 HE3 LYS 80 HE1 LYS 80 4.996 1.069 -10.136 610 HZ1 LYS 80 HZ1 LYS 80 4.245 2.753 -11.663 611 HZ2 LYS 80 HZ2 LYS 80 5.533 3.339 -10.743 612 HZ3 LYS 80 HZ3 LYS 80 3.958 3.827 -10.396 613 H LEU 81 HN LEU 81 2.490 -3.800 -9.669 614 HA LEU 81 HA LEU 81 4.794 -5.069 -10.793 615 HB2 LEU 81 HB2 LEU 81 2.462 -6.100 -9.155 616 HB3 LEU 81 HB1 LEU 81 3.635 -7.207 -9.837 617 HG LEU 81 HG LEU 81 4.218 -6.807 -7.517 618 HD11 LEU 81 HD11 LEU 81 6.096 -7.085 -9.065 619 HD12 LEU 81 HD12 LEU 81 6.528 -6.047 -7.709 620 HD13 LEU 81 HD13 LEU 81 6.189 -5.334 -9.289 621 HD21 LEU 81 HD21 LEU 81 4.341 -3.834 -8.139 622 HD22 LEU 81 HD22 LEU 81 4.810 -4.593 -6.614 623 HD23 LEU 81 HD23 LEU 81 3.132 -4.644 -7.140 624 H SER 82 HN SER 82 1.564 -4.579 -11.940 625 HA SER 82 HA SER 82 1.652 -6.601 -14.004 626 HB2 SER 82 HB2 SER 82 -0.135 -4.163 -13.644 627 HB3 SER 82 HB1 SER 82 -0.329 -5.343 -14.943 628 HG SER 82 HG SER 82 -0.331 -6.049 -12.199 629 H HIS 83 HN HIS 83 2.619 -3.186 -13.714 630 HA HIS 83 HA HIS 83 3.729 -3.245 -16.457 631 HB2 HIS 83 HB2 HIS 83 2.032 -0.990 -15.275 632 HB3 HIS 83 HB1 HIS 83 2.946 -0.861 -16.775 633 HD1 HIS 83 HD1 HIS 83 -0.280 -2.002 -15.436 634 HD2 HIS 83 HD2 HIS 83 1.977 -2.648 -18.870 635 HE1 HIS 83 HE1 HIS 83 -1.847 -3.070 -17.083 636 HE2 HIS 83 HE2 HIS 83 -0.484 -3.384 -19.175 637 H282 PNS 84 H282 PNS 84 7.034 14.929 6.250 638 H281 PNS 84 H281 PNS 84 6.543 13.475 7.110 639 H303 PNS 84 H303 PNS 84 5.569 11.501 5.849 640 H302 PNS 84 H302 PNS 84 4.460 12.520 4.935 641 H301 PNS 84 H301 PNS 84 5.589 11.472 4.081 642 H313 PNS 84 H313 PNS 84 8.096 12.091 5.897 643 H312 PNS 84 H312 PNS 84 8.061 11.957 4.139 644 H311 PNS 84 H311 PNS 84 8.686 13.424 4.896 645 H32 PNS 84 H32 PNS 84 5.457 14.818 3.810 646 H33 PNS 84 H33 PNS 84 7.364 15.460 2.590 647 H36 PNS 84 H36 PNS 84 7.922 12.541 2.468 648 H372 PNS 84 H372 PNS 84 6.544 12.126 -0.018 649 H371 PNS 84 H371 PNS 84 8.022 11.345 0.532 650 H382 PNS 84 H382 PNS 84 6.563 9.523 0.431 651 H381 PNS 84 H381 PNS 84 6.429 9.983 2.125 652 H41 PNS 84 H41 PNS 84 4.452 8.738 2.037 653 H422 PNS 84 H422 PNS 84 2.161 9.219 0.510 654 H421 PNS 84 H421 PNS 84 2.194 8.518 2.123 655 H431 PNS 84 H431 PNS 84 1.943 11.416 1.365 656 H432 PNS 84 H432 PNS 84 2.337 10.891 3.008 657 H44 PNS 84 H44 PNS 84 -0.409 11.565 2.787 Start of MODEL 4 1 H MET 1 HT1 MET 1 -8.719 -7.738 -5.674 2 HA MET 1 HA MET 1 -6.362 -7.954 -6.122 3 HB2 MET 1 HB2 MET 1 -7.240 -7.031 -3.362 4 HB3 MET 1 HB1 MET 1 -5.578 -6.838 -3.902 5 HG2 MET 1 HG2 MET 1 -6.933 -4.793 -4.197 6 HG3 MET 1 HG1 MET 1 -6.254 -5.401 -5.702 7 HE1 MET 1 HE1 MET 1 -7.822 -6.834 -7.537 8 HE2 MET 1 HE2 MET 1 -7.654 -5.098 -7.789 9 HE3 MET 1 HE3 MET 1 -9.232 -5.869 -7.962 10 H GLN 2 HN GLN 2 -4.495 -9.059 -5.861 11 HA GLN 2 HA GLN 2 -4.530 -11.439 -4.120 12 HB2 GLN 2 HB2 GLN 2 -2.782 -12.332 -5.653 13 HB3 GLN 2 HB1 GLN 2 -4.301 -11.981 -6.456 14 HG2 GLN 2 HG2 GLN 2 -3.138 -10.839 -8.014 15 HG3 GLN 2 HG1 GLN 2 -2.803 -9.619 -6.795 16 HE21 GLN 2 HE21 GLN 2 -1.011 -11.415 -5.246 17 HE22 GLN 2 HE22 GLN 2 0.439 -11.519 -6.166 18 H HIS 3 HN HIS 3 -3.004 -8.372 -4.499 19 HA HIS 3 HA HIS 3 -0.535 -9.156 -3.137 20 HB2 HIS 3 HB2 HIS 3 -1.391 -6.509 -4.341 21 HB3 HIS 3 HB1 HIS 3 0.139 -6.748 -3.513 22 HD1 HIS 3 HD1 HIS 3 1.723 -8.673 -4.671 23 HD2 HIS 3 HD2 HIS 3 -1.233 -6.957 -7.028 24 HE1 HIS 3 HE1 HIS 3 2.399 -9.107 -7.042 25 HE2 HIS 3 HE2 HIS 3 0.493 -8.254 -8.424 26 H LEU 4 HN LEU 4 -3.602 -7.903 -2.167 27 HA LEU 4 HA LEU 4 -2.977 -5.997 -0.230 28 HB2 LEU 4 HB2 LEU 4 -5.148 -6.204 0.644 29 HB3 LEU 4 HB1 LEU 4 -5.331 -6.692 -1.027 30 HG LEU 4 HG LEU 4 -5.120 -8.653 1.299 31 HD11 LEU 4 HD11 LEU 4 -7.541 -9.002 1.067 32 HD12 LEU 4 HD12 LEU 4 -7.618 -7.684 -0.105 33 HD13 LEU 4 HD13 LEU 4 -7.152 -7.359 1.566 34 HD21 LEU 4 HD21 LEU 4 -5.926 -9.131 -1.589 35 HD22 LEU 4 HD22 LEU 4 -5.965 -10.333 -0.298 36 HD23 LEU 4 HD23 LEU 4 -4.424 -9.657 -0.817 37 H GLU 5 HN GLU 5 -2.652 -9.450 -0.063 38 HA GLU 5 HA GLU 5 -2.512 -9.797 2.750 39 HB2 GLU 5 HB2 GLU 5 -2.985 -11.644 1.180 40 HB3 GLU 5 HB1 GLU 5 -1.374 -11.489 0.488 41 HG2 GLU 5 HG2 GLU 5 -0.413 -12.102 2.726 42 HG3 GLU 5 HG1 GLU 5 -2.056 -12.388 3.305 43 H ALA 6 HN ALA 6 -0.006 -9.447 0.235 44 HA ALA 6 HA ALA 6 2.229 -9.471 2.006 45 HB1 ALA 6 HB1 ALA 6 2.427 -10.067 -0.368 46 HB2 ALA 6 HB2 ALA 6 3.543 -8.775 0.075 47 HB3 ALA 6 HB3 ALA 6 2.067 -8.399 -0.824 48 H VAL 7 HN VAL 7 0.146 -6.914 0.749 49 HA VAL 7 HA VAL 7 1.719 -4.685 1.539 50 HB VAL 7 HB VAL 7 -1.316 -4.840 1.157 51 HG11 VAL 7 HG11 VAL 7 0.479 -2.379 1.286 52 HG12 VAL 7 HG12 VAL 7 -0.664 -2.888 2.529 53 HG13 VAL 7 HG13 VAL 7 -1.255 -2.383 0.952 54 HG21 VAL 7 HG21 VAL 7 0.846 -3.923 -0.789 55 HG22 VAL 7 HG22 VAL 7 -0.896 -3.803 -1.066 56 HG23 VAL 7 HG23 VAL 7 -0.130 -5.390 -0.925 57 H ARG 8 HN ARG 8 -0.972 -6.450 3.124 58 HA ARG 8 HA ARG 8 -1.027 -4.846 5.499 59 HB2 ARG 8 HB2 ARG 8 -2.664 -6.346 6.368 60 HB3 ARG 8 HB1 ARG 8 -2.972 -6.280 4.637 61 HG2 ARG 8 HG2 ARG 8 -1.730 -8.447 4.394 62 HG3 ARG 8 HG1 ARG 8 -1.580 -8.511 6.149 63 HD2 ARG 8 HD2 ARG 8 -4.082 -8.483 6.291 64 HD3 ARG 8 HD1 ARG 8 -4.136 -8.607 4.526 65 HE ARG 8 HE ARG 8 -2.501 -10.666 5.605 66 HH11 ARG 8 HH11 ARG 8 -5.897 -9.814 5.371 67 HH12 ARG 8 HH12 ARG 8 -6.432 -11.462 5.411 68 HH21 ARG 8 HH21 ARG 8 -3.239 -12.825 5.686 69 HH22 ARG 8 HH22 ARG 8 -4.939 -13.154 5.583 70 H ASN 9 HN ASN 9 0.788 -7.649 4.444 71 HA ASN 9 HA ASN 9 1.825 -8.571 6.898 72 HB2 ASN 9 HB2 ASN 9 2.024 -9.786 4.736 73 HB3 ASN 9 HB1 ASN 9 3.103 -8.539 4.126 74 HD21 ASN 9 HD21 ASN 9 4.772 -9.939 3.751 75 HD22 ASN 9 HD22 ASN 9 5.670 -10.723 4.989 76 H ILE 10 HN ILE 10 3.056 -6.263 4.521 77 HA ILE 10 HA ILE 10 5.375 -5.420 5.875 78 HB ILE 10 HB ILE 10 3.691 -4.030 3.745 79 HG12 ILE 10 HG12 ILE 10 6.335 -5.558 3.485 80 HG13 ILE 10 HG11 ILE 10 4.755 -6.225 3.095 81 HG21 ILE 10 HG21 ILE 10 5.680 -2.581 3.318 82 HG22 ILE 10 HG22 ILE 10 6.455 -3.259 4.753 83 HG23 ILE 10 HG23 ILE 10 4.976 -2.311 4.914 84 HD11 ILE 10 HD11 ILE 10 5.939 -5.560 1.106 85 HD12 ILE 10 HD12 ILE 10 6.090 -3.910 1.710 86 HD13 ILE 10 HD13 ILE 10 4.497 -4.566 1.319 87 H LEU 11 HN LEU 11 2.090 -3.962 5.737 88 HA LEU 11 HA LEU 11 2.674 -1.660 7.274 89 HB2 LEU 11 HB2 LEU 11 0.023 -3.088 6.831 90 HB3 LEU 11 HB1 LEU 11 0.182 -1.473 7.507 91 HG LEU 11 HG LEU 11 1.063 -2.227 4.692 92 HD11 LEU 11 HD11 LEU 11 -0.956 -1.089 3.896 93 HD12 LEU 11 HD12 LEU 11 -1.488 -0.853 5.562 94 HD13 LEU 11 HD13 LEU 11 -1.353 -2.484 4.900 95 HD21 LEU 11 HD21 LEU 11 1.169 0.198 4.297 96 HD22 LEU 11 HD22 LEU 11 2.263 -0.273 5.594 97 HD23 LEU 11 HD23 LEU 11 0.726 0.506 5.978 98 H GLY 12 HN GLY 12 1.244 -4.797 8.177 99 HA2 GLY 12 HA2 GLY 12 0.921 -4.223 10.938 100 HA3 GLY 12 HA1 GLY 12 0.882 -5.803 10.183 101 H ASP 13 HN ASP 13 3.702 -5.220 9.054 102 HA ASP 13 HA ASP 13 5.236 -6.111 11.343 103 HB2 ASP 13 HB2 ASP 13 5.632 -6.907 8.959 104 HB3 ASP 13 HB1 ASP 13 6.255 -5.307 8.581 105 H VAL 14 HN VAL 14 5.235 -3.211 9.251 106 HA VAL 14 HA VAL 14 7.386 -1.871 10.542 107 HB VAL 14 HB VAL 14 5.264 -0.798 8.621 108 HG11 VAL 14 HG11 VAL 14 7.839 0.565 9.523 109 HG12 VAL 14 HG12 VAL 14 6.194 1.094 9.881 110 HG13 VAL 14 HG13 VAL 14 6.787 1.133 8.221 111 HG21 VAL 14 HG21 VAL 14 6.689 -2.536 7.612 112 HG22 VAL 14 HG22 VAL 14 8.142 -1.663 8.099 113 HG23 VAL 14 HG23 VAL 14 7.051 -0.961 6.903 114 H LEU 15 HN LEU 15 3.845 -1.334 10.620 115 HA LEU 15 HA LEU 15 4.041 0.622 12.761 116 HB2 LEU 15 HB2 LEU 15 1.595 -0.607 11.436 117 HB3 LEU 15 HB1 LEU 15 1.535 0.636 12.669 118 HG LEU 15 HG LEU 15 1.218 1.886 10.738 119 HD11 LEU 15 HD11 LEU 15 3.059 2.850 12.028 120 HD12 LEU 15 HD12 LEU 15 3.192 3.217 10.313 121 HD13 LEU 15 HD13 LEU 15 4.230 1.980 11.027 122 HD21 LEU 15 HD21 LEU 15 2.354 1.595 8.589 123 HD22 LEU 15 HD22 LEU 15 1.555 0.107 9.086 124 HD23 LEU 15 HD23 LEU 15 3.303 0.261 9.254 125 H ASN 16 HN ASN 16 3.997 -2.734 12.614 126 HA ASN 16 HA ASN 16 4.045 -4.362 14.105 127 HB2 ASN 16 HB2 ASN 16 5.675 -2.883 15.201 128 HB3 ASN 16 HB1 ASN 16 4.390 -2.107 16.112 129 HD21 ASN 16 HD21 ASN 16 3.411 -3.257 17.797 130 HD22 ASN 16 HD22 ASN 16 4.154 -4.637 18.533 131 H LEU 17 HN LEU 17 1.735 -4.318 13.255 132 HA LEU 17 HA LEU 17 -0.308 -4.280 15.331 133 HB2 LEU 17 HB2 LEU 17 -0.315 -5.011 12.381 134 HB3 LEU 17 HB1 LEU 17 -1.688 -5.385 13.403 135 HG LEU 17 HG LEU 17 -1.989 -2.948 13.879 136 HD11 LEU 17 HD11 LEU 17 0.199 -2.507 11.831 137 HD12 LEU 17 HD12 LEU 17 0.282 -2.134 13.555 138 HD13 LEU 17 HD13 LEU 17 -0.843 -1.258 12.522 139 HD21 LEU 17 HD21 LEU 17 -2.920 -2.346 11.684 140 HD22 LEU 17 HD22 LEU 17 -3.283 -4.019 12.090 141 HD23 LEU 17 HD23 LEU 17 -2.009 -3.654 10.924 142 H GLY 18 HN GLY 18 1.850 -6.549 13.732 143 HA2 GLY 18 HA2 GLY 18 2.387 -8.735 14.110 144 HA3 GLY 18 HA1 GLY 18 1.563 -8.603 15.651 145 H GLU 19 HN GLU 19 -0.449 -9.480 15.883 146 HA GLU 19 HA GLU 19 -1.399 -11.366 13.887 147 HB2 GLU 19 HB2 GLU 19 -1.305 -12.030 16.246 148 HB3 GLU 19 HB1 GLU 19 -2.332 -10.684 16.709 149 HG2 GLU 19 HG2 GLU 19 -3.565 -12.779 16.785 150 HG3 GLU 19 HG1 GLU 19 -4.239 -11.713 15.556 151 H ARG 20 HN ARG 20 -2.145 -8.131 14.889 152 HA ARG 20 HA ARG 20 -4.925 -8.076 14.279 153 HB2 ARG 20 HB2 ARG 20 -3.407 -6.429 15.722 154 HB3 ARG 20 HB1 ARG 20 -3.260 -5.551 14.211 155 HG2 ARG 20 HG2 ARG 20 -5.924 -6.256 15.475 156 HG3 ARG 20 HG1 ARG 20 -5.068 -4.759 15.821 157 HD2 ARG 20 HD2 ARG 20 -5.355 -3.971 13.581 158 HD3 ARG 20 HD1 ARG 20 -5.880 -5.560 13.015 159 HE ARG 20 HE ARG 20 -7.736 -4.977 14.883 160 HH11 ARG 20 HH11 ARG 20 -6.560 -3.007 12.215 161 HH12 ARG 20 HH12 ARG 20 -8.119 -2.318 11.896 162 HH21 ARG 20 HH21 ARG 20 -9.746 -4.076 14.463 163 HH22 ARG 20 HH22 ARG 20 -9.932 -2.915 13.187 164 H LYS 21 HN LYS 21 -2.050 -7.611 12.289 165 HA LYS 21 HA LYS 21 -3.300 -6.402 10.046 166 HB2 LYS 21 HB2 LYS 21 -1.346 -6.946 8.768 167 HB3 LYS 21 HB1 LYS 21 -0.852 -6.414 10.376 168 HG2 LYS 21 HG2 LYS 21 -0.531 -8.749 11.048 169 HG3 LYS 21 HG1 LYS 21 -1.020 -9.292 9.440 170 HD2 LYS 21 HD2 LYS 21 0.926 -7.976 8.515 171 HD3 LYS 21 HD1 LYS 21 1.429 -7.658 10.179 172 HE2 LYS 21 HE2 LYS 21 1.566 -10.096 10.558 173 HE3 LYS 21 HE1 LYS 21 1.156 -10.355 8.862 174 HZ1 LYS 21 HZ1 LYS 21 3.527 -10.487 9.200 175 HZ2 LYS 21 HZ2 LYS 21 3.558 -8.943 9.881 176 HZ3 LYS 21 HZ3 LYS 21 3.164 -9.137 8.252 177 H HIS 22 HN HIS 22 -3.189 -9.681 11.173 178 HA HIS 22 HA HIS 22 -4.060 -10.914 8.706 179 HB2 HIS 22 HB2 HIS 22 -2.665 -12.157 10.313 180 HB3 HIS 22 HB1 HIS 22 -3.885 -11.964 11.565 181 HD1 HIS 22 HD1 HIS 22 -4.952 -14.162 11.952 182 HD2 HIS 22 HD2 HIS 22 -4.167 -13.547 7.916 183 HE1 HIS 22 HE1 HIS 22 -5.869 -16.179 10.766 184 HE2 HIS 22 HE2 HIS 22 -5.203 -15.869 8.358 185 H THR 23 HN THR 23 -5.580 -9.590 11.605 186 HA THR 23 HA THR 23 -8.124 -10.924 11.139 187 HB THR 23 HB THR 23 -7.146 -10.466 13.470 188 HG1 THR 23 HG1 THR 23 -9.725 -10.381 12.600 189 HG21 THR 23 HG21 THR 23 -7.717 -8.339 14.550 190 HG22 THR 23 HG22 THR 23 -8.350 -7.713 13.029 191 HG23 THR 23 HG23 THR 23 -6.629 -8.051 13.191 192 H LEU 24 HN LEU 24 -6.743 -8.143 9.834 193 HA LEU 24 HA LEU 24 -9.313 -6.721 9.580 194 HB2 LEU 24 HB2 LEU 24 -7.962 -4.830 8.637 195 HB3 LEU 24 HB1 LEU 24 -7.617 -5.227 10.299 196 HG LEU 24 HG LEU 24 -5.527 -6.461 9.446 197 HD11 LEU 24 HD11 LEU 24 -6.097 -6.646 7.063 198 HD12 LEU 24 HD12 LEU 24 -4.585 -5.769 7.293 199 HD13 LEU 24 HD13 LEU 24 -6.067 -4.887 6.909 200 HD21 LEU 24 HD21 LEU 24 -5.404 -4.309 10.610 201 HD22 LEU 24 HD22 LEU 24 -5.684 -3.449 9.093 202 HD23 LEU 24 HD23 LEU 24 -4.203 -4.384 9.321 203 H THR 25 HN THR 25 -9.725 -5.735 7.406 204 HA THR 25 HA THR 25 -9.247 -7.697 5.229 205 HB THR 25 HB THR 25 -11.459 -6.928 4.323 206 HG1 THR 25 HG1 THR 25 -12.782 -5.716 5.923 207 HG21 THR 25 HG21 THR 25 -11.590 -7.970 7.183 208 HG22 THR 25 HG22 THR 25 -11.444 -8.948 5.721 209 HG23 THR 25 HG23 THR 25 -12.915 -8.021 6.015 210 H ALA 26 HN ALA 26 -9.788 -6.496 2.994 211 HA ALA 26 HA ALA 26 -7.925 -4.433 2.509 212 HB1 ALA 26 HB1 ALA 26 -10.309 -5.224 0.808 213 HB2 ALA 26 HB2 ALA 26 -8.719 -5.982 0.761 214 HB3 ALA 26 HB3 ALA 26 -8.904 -4.300 0.266 215 H SER 27 HN SER 27 -11.079 -4.237 3.862 216 HA SER 27 HA SER 27 -11.531 -1.454 3.091 217 HB2 SER 27 HB2 SER 27 -13.396 -3.147 3.126 218 HB3 SER 27 HB1 SER 27 -13.225 -3.252 4.878 219 HG SER 27 HG SER 27 -13.533 -0.706 3.777 220 H SER 28 HN SER 28 -9.449 -2.722 5.217 221 HA SER 28 HA SER 28 -10.062 -1.227 7.614 222 HB2 SER 28 HB2 SER 28 -7.884 -2.020 8.439 223 HB3 SER 28 HB1 SER 28 -8.798 -3.357 7.739 224 HG SER 28 HG SER 28 -7.220 -3.642 6.394 225 H VAL 29 HN VAL 29 -9.614 0.869 7.936 226 HA VAL 29 HA VAL 29 -8.329 2.480 5.913 227 HB VAL 29 HB VAL 29 -9.449 3.217 8.665 228 HG11 VAL 29 HG11 VAL 29 -7.842 4.931 7.958 229 HG12 VAL 29 HG12 VAL 29 -9.484 5.570 7.876 230 HG13 VAL 29 HG13 VAL 29 -8.651 5.086 6.397 231 HG21 VAL 29 HG21 VAL 29 -10.719 3.472 5.911 232 HG22 VAL 29 HG22 VAL 29 -11.420 4.055 7.423 233 HG23 VAL 29 HG23 VAL 29 -11.177 2.327 7.173 234 H LEU 30 HN LEU 30 -6.328 3.605 6.146 235 HA LEU 30 HA LEU 30 -4.541 2.529 8.248 236 HB2 LEU 30 HB2 LEU 30 -3.786 3.963 5.682 237 HB3 LEU 30 HB1 LEU 30 -2.679 3.244 6.840 238 HG LEU 30 HG LEU 30 -4.604 1.773 5.001 239 HD11 LEU 30 HD11 LEU 30 -1.576 1.765 5.165 240 HD12 LEU 30 HD12 LEU 30 -2.552 2.575 3.935 241 HD13 LEU 30 HD13 LEU 30 -2.559 0.816 4.044 242 HD21 LEU 30 HD21 LEU 30 -2.838 0.568 7.176 243 HD22 LEU 30 HD22 LEU 30 -3.723 -0.343 5.952 244 HD23 LEU 30 HD23 LEU 30 -4.606 0.587 7.156 245 H LEU 31 HN LEU 31 -4.631 5.636 6.440 246 HA LEU 31 HA LEU 31 -3.570 7.231 8.449 247 HB2 LEU 31 HB2 LEU 31 -5.473 7.982 6.202 248 HB3 LEU 31 HB1 LEU 31 -4.617 9.146 7.198 249 HG LEU 31 HG LEU 31 -3.311 7.139 5.325 250 HD11 LEU 31 HD11 LEU 31 -3.567 10.147 5.072 251 HD12 LEU 31 HD12 LEU 31 -4.460 8.949 4.132 252 HD13 LEU 31 HD13 LEU 31 -2.712 9.071 3.963 253 HD21 LEU 31 HD21 LEU 31 -1.861 7.575 7.260 254 HD22 LEU 31 HD22 LEU 31 -2.010 9.313 7.007 255 HD23 LEU 31 HD23 LEU 31 -1.192 8.311 5.805 256 H GLY 32 HN GLY 32 -4.333 7.558 10.411 257 HA2 GLY 32 HA2 GLY 32 -5.708 8.730 11.903 258 HA3 GLY 32 HA1 GLY 32 -7.073 8.541 10.816 259 H ASN 33 HN ASN 33 -6.757 5.694 10.427 260 HA ASN 33 HA ASN 33 -8.210 4.766 12.735 261 HB2 ASN 33 HB2 ASN 33 -8.839 4.023 10.477 262 HB3 ASN 33 HB1 ASN 33 -7.262 3.274 10.260 263 HD21 ASN 33 HD21 ASN 33 -8.117 1.218 9.917 264 HD22 ASN 33 HD22 ASN 33 -8.853 0.296 11.163 265 H ILE 34 HN ILE 34 -5.121 3.821 11.175 266 HA ILE 34 HA ILE 34 -4.270 2.249 13.436 267 HB ILE 34 HB ILE 34 -2.460 3.213 11.180 268 HG12 ILE 34 HG12 ILE 34 -4.379 2.102 10.082 269 HG13 ILE 34 HG11 ILE 34 -2.949 1.091 9.955 270 HG21 ILE 34 HG21 ILE 34 -1.147 1.182 11.715 271 HG22 ILE 34 HG22 ILE 34 -2.287 0.789 13.006 272 HG23 ILE 34 HG23 ILE 34 -1.307 2.251 13.113 273 HD11 ILE 34 HD11 ILE 34 -4.902 -0.252 10.394 274 HD12 ILE 34 HD12 ILE 34 -5.270 0.680 11.843 275 HD13 ILE 34 HD13 ILE 34 -3.819 -0.325 11.785 276 HA PRO 35 HA PRO 35 -2.865 6.166 15.315 277 HB2 PRO 35 HB2 PRO 35 -2.642 5.310 17.869 278 HB3 PRO 35 HB1 PRO 35 -4.225 5.508 17.103 279 HG2 PRO 35 HG2 PRO 35 -2.649 2.992 17.586 280 HG3 PRO 35 HG1 PRO 35 -4.395 3.273 17.754 281 HD2 PRO 35 HD2 PRO 35 -3.163 2.091 15.533 282 HD3 PRO 35 HD1 PRO 35 -4.777 2.817 15.522 283 H GLU 36 HN GLU 36 -1.121 3.456 14.550 284 HA GLU 36 HA GLU 36 1.405 4.281 15.799 285 HB2 GLU 36 HB2 GLU 36 0.884 1.872 14.004 286 HB3 GLU 36 HB1 GLU 36 2.261 2.136 15.069 287 HG2 GLU 36 HG2 GLU 36 -0.596 1.498 15.858 288 HG3 GLU 36 HG1 GLU 36 0.827 0.477 16.056 289 H LEU 37 HN LEU 37 -0.410 4.597 12.908 290 HA LEU 37 HA LEU 37 1.858 4.812 11.095 291 HB2 LEU 37 HB2 LEU 37 -0.305 3.863 10.315 292 HB3 LEU 37 HB1 LEU 37 -1.088 5.407 10.609 293 HG LEU 37 HG LEU 37 0.376 6.461 8.863 294 HD11 LEU 37 HD11 LEU 37 2.302 4.935 8.954 295 HD12 LEU 37 HD12 LEU 37 1.676 5.067 7.314 296 HD13 LEU 37 HD13 LEU 37 1.319 3.632 8.279 297 HD21 LEU 37 HD21 LEU 37 -0.780 5.515 6.926 298 HD22 LEU 37 HD22 LEU 37 -1.886 5.673 8.292 299 HD23 LEU 37 HD23 LEU 37 -1.231 4.087 7.861 300 H ASP 38 HN ASP 38 3.082 6.496 11.838 301 HA ASP 38 HA ASP 38 2.059 9.221 12.023 302 HB2 ASP 38 HB2 ASP 38 3.743 8.368 13.636 303 HB3 ASP 38 HB1 ASP 38 4.842 7.980 12.321 304 H SER 39 HN SER 39 3.435 10.909 10.772 305 HA SER 39 HA SER 39 3.310 10.615 7.998 306 HB2 SER 39 HB2 SER 39 4.515 12.726 7.882 307 HB3 SER 39 HB1 SER 39 3.392 12.790 9.244 308 H MET 40 HN MET 40 6.201 10.431 10.129 309 HA MET 40 HA MET 40 8.080 9.724 8.150 310 HB2 MET 40 HB2 MET 40 8.053 9.022 11.110 311 HB3 MET 40 HB1 MET 40 9.428 8.781 10.031 312 HG2 MET 40 HG2 MET 40 8.171 11.452 10.689 313 HG3 MET 40 HG1 MET 40 9.669 10.818 11.377 314 HE1 MET 40 HE1 MET 40 11.189 12.861 10.663 315 HE2 MET 40 HE2 MET 40 9.713 13.669 10.130 316 HE3 MET 40 HE3 MET 40 11.117 13.606 9.066 317 H ALA 41 HN ALA 41 5.768 7.816 9.949 318 HA ALA 41 HA ALA 41 6.676 5.243 9.173 319 HB1 ALA 41 HB1 ALA 41 4.540 4.433 9.996 320 HB2 ALA 41 HB2 ALA 41 3.893 6.074 10.028 321 HB3 ALA 41 HB3 ALA 41 5.213 5.622 11.109 322 H VAL 42 HN VAL 42 4.504 7.597 7.533 323 HA VAL 42 HA VAL 42 3.589 5.821 5.509 324 HB VAL 42 HB VAL 42 2.811 7.615 4.211 325 HG11 VAL 42 HG11 VAL 42 1.821 9.330 5.707 326 HG12 VAL 42 HG12 VAL 42 2.857 8.753 7.016 327 HG13 VAL 42 HG13 VAL 42 1.635 7.683 6.326 328 HG21 VAL 42 HG21 VAL 42 3.644 9.981 4.264 329 HG22 VAL 42 HG22 VAL 42 4.860 8.830 3.719 330 HG23 VAL 42 HG23 VAL 42 4.936 9.474 5.348 331 H VAL 43 HN VAL 43 6.524 7.719 5.917 332 HA VAL 43 HA VAL 43 7.653 7.307 3.310 333 HB VAL 43 HB VAL 43 9.291 7.662 5.854 334 HG11 VAL 43 HG11 VAL 43 10.861 8.889 4.404 335 HG12 VAL 43 HG12 VAL 43 9.816 8.612 3.007 336 HG13 VAL 43 HG13 VAL 43 10.600 7.249 3.808 337 HG21 VAL 43 HG21 VAL 43 7.478 9.276 5.943 338 HG22 VAL 43 HG22 VAL 43 7.845 9.840 4.307 339 HG23 VAL 43 HG23 VAL 43 9.005 10.094 5.615 340 H ASN 44 HN ASN 44 8.083 5.691 6.405 341 HA ASN 44 HA ASN 44 9.983 3.770 5.756 342 HB2 ASN 44 HB2 ASN 44 7.828 3.916 7.879 343 HB3 ASN 44 HB1 ASN 44 8.932 2.537 7.803 344 HD21 ASN 44 HD21 ASN 44 9.755 3.066 9.861 345 HD22 ASN 44 HD22 ASN 44 10.828 4.395 10.107 346 H VAL 45 HN VAL 45 6.433 3.563 5.540 347 HA VAL 45 HA VAL 45 6.477 0.780 4.771 348 HB VAL 45 HB VAL 45 4.043 1.010 4.319 349 HG11 VAL 45 HG11 VAL 45 4.949 2.123 7.000 350 HG12 VAL 45 HG12 VAL 45 4.815 0.417 6.573 351 HG13 VAL 45 HG13 VAL 45 3.364 1.413 6.672 352 HG21 VAL 45 HG21 VAL 45 4.417 3.907 5.139 353 HG22 VAL 45 HG22 VAL 45 2.862 3.099 4.899 354 HG23 VAL 45 HG23 VAL 45 3.956 3.330 3.535 355 H ILE 46 HN ILE 46 6.387 3.871 2.979 356 HA ILE 46 HA ILE 46 5.896 2.794 0.396 357 HB ILE 46 HB ILE 46 7.616 5.197 1.176 358 HG12 ILE 46 HG12 ILE 46 4.822 5.123 -0.064 359 HG13 ILE 46 HG11 ILE 46 5.129 5.318 1.660 360 HG21 ILE 46 HG21 ILE 46 7.523 5.920 -1.209 361 HG22 ILE 46 HG22 ILE 46 6.728 4.403 -1.635 362 HG23 ILE 46 HG23 ILE 46 8.384 4.391 -1.028 363 HD11 ILE 46 HD11 ILE 46 5.977 7.222 -0.532 364 HD12 ILE 46 HD12 ILE 46 6.295 7.435 1.192 365 HD13 ILE 46 HD13 ILE 46 4.638 7.440 0.591 366 H THR 47 HN THR 47 8.926 3.449 2.109 367 HA THR 47 HA THR 47 10.820 2.499 0.344 368 HB THR 47 HB THR 47 10.927 2.295 3.392 369 HG1 THR 47 HG1 THR 47 10.863 4.431 1.733 370 HG21 THR 47 HG21 THR 47 13.223 2.487 1.388 371 HG22 THR 47 HG22 THR 47 12.774 1.035 2.284 372 HG23 THR 47 HG23 THR 47 13.380 2.448 3.146 373 H ALA 48 HN ALA 48 9.154 0.729 2.935 374 HA ALA 48 HA ALA 48 10.346 -1.788 2.602 375 HB1 ALA 48 HB1 ALA 48 8.512 -2.632 4.000 376 HB2 ALA 48 HB2 ALA 48 7.626 -1.124 3.757 377 HB3 ALA 48 HB3 ALA 48 9.155 -1.115 4.637 378 H LEU 49 HN LEU 49 7.283 -0.514 1.223 379 HA LEU 49 HA LEU 49 6.446 -2.762 -0.223 380 HB2 LEU 49 HB2 LEU 49 5.926 0.173 -0.386 381 HB3 LEU 49 HB1 LEU 49 5.663 -0.671 -1.892 382 HG LEU 49 HG LEU 49 3.565 -0.399 -0.663 383 HD11 LEU 49 HD11 LEU 49 2.750 -2.701 -0.719 384 HD12 LEU 49 HD12 LEU 49 4.409 -3.303 -0.765 385 HD13 LEU 49 HD13 LEU 49 3.779 -2.346 -2.107 386 HD21 LEU 49 HD21 LEU 49 3.114 -1.564 1.454 387 HD22 LEU 49 HD22 LEU 49 4.369 -0.343 1.632 388 HD23 LEU 49 HD23 LEU 49 4.811 -2.050 1.552 389 H GLU 50 HN GLU 50 8.625 -0.134 -1.210 390 HA GLU 50 HA GLU 50 9.180 -0.902 -3.847 391 HB2 GLU 50 HB2 GLU 50 11.139 0.507 -1.985 392 HB3 GLU 50 HB1 GLU 50 11.109 0.590 -3.741 393 HG2 GLU 50 HG2 GLU 50 8.925 1.678 -1.958 394 HG3 GLU 50 HG1 GLU 50 10.280 2.632 -2.527 395 H GLU 51 HN GLU 51 10.819 -1.748 -0.814 396 HA GLU 51 HA GLU 51 13.029 -3.126 -1.903 397 HB2 GLU 51 HB2 GLU 51 11.730 -3.384 0.841 398 HB3 GLU 51 HB1 GLU 51 13.293 -4.069 0.412 399 HG2 GLU 51 HG2 GLU 51 12.615 -1.117 0.457 400 HG3 GLU 51 HG1 GLU 51 13.495 -1.982 1.707 401 H TYR 52 HN TYR 52 10.044 -4.403 -0.382 402 HA TYR 52 HA TYR 52 10.732 -7.135 -0.741 403 HB2 TYR 52 HB2 TYR 52 8.079 -5.844 -0.005 404 HB3 TYR 52 HB1 TYR 52 8.364 -7.582 0.030 405 HD1 TYR 52 HD1 TYR 52 10.757 -8.140 1.378 406 HD2 TYR 52 HD2 TYR 52 8.140 -4.849 2.130 407 HE1 TYR 52 HE1 TYR 52 11.596 -7.984 3.683 408 HE2 TYR 52 HE2 TYR 52 8.980 -4.699 4.422 409 HH TYR 52 HH TYR 52 11.755 -6.333 5.485 410 H PHE 53 HN PHE 53 8.467 -5.010 -2.521 411 HA PHE 53 HA PHE 53 7.718 -7.132 -4.361 412 HB2 PHE 53 HB2 PHE 53 7.007 -4.192 -4.241 413 HB3 PHE 53 HB1 PHE 53 6.474 -5.236 -5.550 414 HD1 PHE 53 HD2 PHE 53 6.501 -5.491 -1.764 415 HD2 PHE 53 HD1 PHE 53 4.221 -5.767 -5.370 416 HE1 PHE 53 HE2 PHE 53 4.483 -6.050 -0.468 417 HE2 PHE 53 HE1 PHE 53 2.219 -6.319 -4.066 418 HZ PHE 53 HZ PHE 53 2.343 -6.462 -1.613 419 H ASP 54 HN ASP 54 10.161 -4.646 -4.228 420 HA ASP 54 HA ASP 54 11.882 -4.050 -5.543 421 HB2 ASP 54 HB2 ASP 54 12.334 -6.485 -5.711 422 HB3 ASP 54 HB1 ASP 54 11.271 -6.597 -7.109 423 H PHE 55 HN PHE 55 10.092 -2.398 -5.985 424 HA PHE 55 HA PHE 55 10.180 -1.754 -8.834 425 HB2 PHE 55 HB2 PHE 55 7.812 -1.556 -9.175 426 HB3 PHE 55 HB1 PHE 55 8.033 -3.131 -8.429 427 HD1 PHE 55 HD1 PHE 55 8.103 -2.708 -5.581 428 HD2 PHE 55 HD2 PHE 55 5.796 -0.603 -8.493 429 HE1 PHE 55 HE1 PHE 55 6.447 -2.124 -3.862 430 HE2 PHE 55 HE2 PHE 55 4.152 -0.037 -6.765 431 HZ PHE 55 HZ PHE 55 4.471 -0.792 -4.449 432 H SER 56 HN SER 56 8.844 0.496 -9.034 433 HA SER 56 HA SER 56 9.162 2.113 -6.593 434 HB2 SER 56 HB2 SER 56 10.958 2.649 -8.238 435 HB3 SER 56 HB1 SER 56 9.722 3.086 -9.419 436 HG SER 56 HG SER 56 9.507 4.289 -6.922 437 H VAL 57 HN VAL 57 7.179 2.704 -5.900 438 HA VAL 57 HA VAL 57 4.905 3.221 -7.584 439 HB VAL 57 HB VAL 57 5.357 4.450 -4.804 440 HG11 VAL 57 HG11 VAL 57 2.795 3.711 -6.269 441 HG12 VAL 57 HG12 VAL 57 3.435 5.338 -6.033 442 HG13 VAL 57 HG13 VAL 57 2.887 4.401 -4.644 443 HG21 VAL 57 HG21 VAL 57 4.172 1.695 -5.323 444 HG22 VAL 57 HG22 VAL 57 4.285 2.507 -3.759 445 HG23 VAL 57 HG23 VAL 57 5.751 2.015 -4.603 446 H ASP 58 HN ASP 58 4.529 5.105 -8.751 447 HA ASP 58 HA ASP 58 6.715 6.952 -9.075 448 HB2 ASP 58 HB2 ASP 58 5.419 6.191 -11.007 449 HB3 ASP 58 HB1 ASP 58 3.938 6.867 -10.331 450 H ASP 59 HN ASP 59 6.783 9.153 -8.588 451 HA ASP 59 HA ASP 59 5.795 10.093 -6.203 452 HB2 ASP 59 HB2 ASP 59 7.719 11.060 -7.456 453 HB3 ASP 59 HB1 ASP 59 6.607 11.772 -8.616 454 H ASP 60 HN ASP 60 4.354 10.585 -9.420 455 HA ASP 60 HA ASP 60 2.436 12.563 -8.666 456 HB2 ASP 60 HB2 ASP 60 2.562 10.756 -11.115 457 HB3 ASP 60 HB1 ASP 60 1.445 12.110 -10.943 458 H GLU 61 HN GLU 61 2.423 9.134 -8.341 459 HA GLU 61 HA GLU 61 -0.533 9.020 -8.075 460 HB2 GLU 61 HB2 GLU 61 -0.425 6.633 -8.387 461 HB3 GLU 61 HB1 GLU 61 0.549 7.375 -9.652 462 HG2 GLU 61 HG2 GLU 61 2.594 6.853 -8.336 463 HG3 GLU 61 HG1 GLU 61 1.597 6.055 -7.128 464 H ILE 62 HN ILE 62 2.249 9.317 -6.187 465 HA ILE 62 HA ILE 62 1.219 7.914 -3.835 466 HB ILE 62 HB ILE 62 3.664 9.727 -4.130 467 HG12 ILE 62 HG12 ILE 62 3.485 6.679 -3.933 468 HG13 ILE 62 HG11 ILE 62 3.805 7.575 -5.408 469 HG21 ILE 62 HG21 ILE 62 4.382 8.838 -1.921 470 HG22 ILE 62 HG22 ILE 62 2.851 7.973 -1.774 471 HG23 ILE 62 HG23 ILE 62 2.868 9.736 -1.801 472 HD11 ILE 62 HD11 ILE 62 5.820 6.624 -4.526 473 HD12 ILE 62 HD12 ILE 62 5.583 7.443 -2.982 474 HD13 ILE 62 HD13 ILE 62 5.912 8.383 -4.443 475 H SER 63 HN SER 63 -0.584 8.860 -3.042 476 HA SER 63 HA SER 63 -0.387 11.627 -2.010 477 HB2 SER 63 HB2 SER 63 -1.898 11.736 -3.916 478 HB3 SER 63 HB1 SER 63 -2.762 10.296 -3.387 479 HG SER 63 HG SER 63 -3.038 12.913 -2.592 480 H ALA 64 HN ALA 64 -1.970 11.960 -0.190 481 HA ALA 64 HA ALA 64 -1.938 10.015 1.853 482 HB1 ALA 64 HB1 ALA 64 -3.847 12.359 1.484 483 HB2 ALA 64 HB2 ALA 64 -2.280 12.419 2.294 484 HB3 ALA 64 HB3 ALA 64 -3.596 11.466 2.985 485 H GLN 65 HN GLN 65 -4.139 10.660 -0.773 486 HA GLN 65 HA GLN 65 -6.347 9.039 0.074 487 HB2 GLN 65 HB2 GLN 65 -5.685 9.965 -2.750 488 HB3 GLN 65 HB1 GLN 65 -7.259 9.458 -2.143 489 HG2 GLN 65 HG2 GLN 65 -5.738 11.962 -1.353 490 HG3 GLN 65 HG1 GLN 65 -7.174 11.882 -2.370 491 HE21 GLN 65 HE21 GLN 65 -5.956 11.696 0.904 492 HE22 GLN 65 HE22 GLN 65 -7.487 11.815 1.693 493 H THR 66 HN THR 66 -3.280 8.267 -1.297 494 HA THR 66 HA THR 66 -3.955 5.707 -2.428 495 HB THR 66 HB THR 66 -1.258 6.708 -1.386 496 HG1 THR 66 HG1 THR 66 -1.688 6.622 -4.111 497 HG21 THR 66 HG21 THR 66 -0.252 5.028 -2.889 498 HG22 THR 66 HG22 THR 66 -1.858 4.467 -3.356 499 HG23 THR 66 HG23 THR 66 -1.295 4.242 -1.700 500 H PHE 67 HN PHE 67 -2.826 6.962 0.690 501 HA PHE 67 HA PHE 67 -2.776 4.320 1.956 502 HB2 PHE 67 HB2 PHE 67 -1.883 7.069 2.907 503 HB3 PHE 67 HB1 PHE 67 -1.799 5.620 3.909 504 HD1 PHE 67 HD2 PHE 67 -0.403 7.288 0.894 505 HD2 PHE 67 HD1 PHE 67 -0.107 3.925 3.526 506 HE1 PHE 67 HE2 PHE 67 1.778 6.702 -0.086 507 HE2 PHE 67 HE1 PHE 67 2.064 3.349 2.529 508 HZ PHE 67 HZ PHE 67 3.003 4.727 0.727 509 H GLU 68 HN GLU 68 -5.324 5.890 1.220 510 HA GLU 68 HA GLU 68 -6.653 6.541 3.640 511 HB2 GLU 68 HB2 GLU 68 -8.763 6.421 2.367 512 HB3 GLU 68 HB1 GLU 68 -7.536 7.335 1.500 513 HG2 GLU 68 HG2 GLU 68 -7.203 5.602 -0.089 514 HG3 GLU 68 HG1 GLU 68 -8.060 4.424 0.898 515 H THR 69 HN THR 69 -6.558 3.495 1.748 516 HA THR 69 HA THR 69 -7.161 1.957 4.161 517 HB THR 69 HB THR 69 -9.396 2.436 3.203 518 HG1 THR 69 HG1 THR 69 -8.747 0.265 4.082 519 HG21 THR 69 HG21 THR 69 -8.469 0.964 0.713 520 HG22 THR 69 HG22 THR 69 -8.808 2.692 0.816 521 HG23 THR 69 HG23 THR 69 -10.115 1.530 1.043 522 H LEU 70 HN LEU 70 -6.766 -0.336 3.892 523 HA LEU 70 HA LEU 70 -4.388 -1.082 2.708 524 HB2 LEU 70 HB2 LEU 70 -5.497 -2.346 4.527 525 HB3 LEU 70 HB1 LEU 70 -6.767 -2.844 3.417 526 HG LEU 70 HG LEU 70 -4.996 -4.075 2.066 527 HD11 LEU 70 HD11 LEU 70 -3.245 -3.503 4.464 528 HD12 LEU 70 HD12 LEU 70 -3.030 -2.856 2.836 529 HD13 LEU 70 HD13 LEU 70 -2.856 -4.584 3.122 530 HD21 LEU 70 HD21 LEU 70 -6.465 -5.315 3.560 531 HD22 LEU 70 HD22 LEU 70 -5.410 -4.974 4.934 532 HD23 LEU 70 HD23 LEU 70 -4.841 -6.001 3.614 533 H GLY 71 HN GLY 71 -7.662 -1.353 1.482 534 HA2 GLY 71 HA2 GLY 71 -7.303 -2.996 -0.760 535 HA3 GLY 71 HA1 GLY 71 -8.596 -1.828 -0.546 536 H SER 72 HN SER 72 -7.099 0.530 -0.403 537 HA SER 72 HA SER 72 -6.740 1.203 -3.099 538 HB2 SER 72 HB2 SER 72 -5.726 2.649 -0.622 539 HB3 SER 72 HB1 SER 72 -5.837 3.344 -2.247 540 HG SER 72 HG SER 72 -8.005 3.277 -2.138 541 H LEU 73 HN LEU 73 -4.242 0.598 -0.542 542 HA LEU 73 HA LEU 73 -1.956 0.971 -2.147 543 HB2 LEU 73 HB2 LEU 73 -2.382 -0.790 0.300 544 HB3 LEU 73 HB1 LEU 73 -0.825 -0.667 -0.496 545 HG LEU 73 HG LEU 73 -0.793 0.741 1.442 546 HD11 LEU 73 HD11 LEU 73 0.420 1.610 -0.485 547 HD12 LEU 73 HD12 LEU 73 -0.224 2.920 0.498 548 HD13 LEU 73 HD13 LEU 73 -1.015 2.493 -1.020 549 HD21 LEU 73 HD21 LEU 73 -3.247 2.151 0.374 550 HD22 LEU 73 HD22 LEU 73 -2.335 2.586 1.822 551 HD23 LEU 73 HD23 LEU 73 -3.193 1.051 1.755 552 H ALA 74 HN ALA 74 -3.960 -1.882 -1.564 553 HA ALA 74 HA ALA 74 -2.452 -3.801 -2.942 554 HB1 ALA 74 HB1 ALA 74 -4.297 -4.350 -1.403 555 HB2 ALA 74 HB2 ALA 74 -4.465 -5.157 -2.961 556 HB3 ALA 74 HB3 ALA 74 -5.463 -3.744 -2.583 557 H LEU 75 HN LEU 75 -5.105 -1.673 -4.088 558 HA LEU 75 HA LEU 75 -5.348 -2.651 -6.718 559 HB2 LEU 75 HB2 LEU 75 -6.209 -0.157 -5.305 560 HB3 LEU 75 HB1 LEU 75 -6.099 -0.026 -7.043 561 HG LEU 75 HG LEU 75 -8.380 -0.485 -6.493 562 HD11 LEU 75 HD11 LEU 75 -8.838 -2.514 -7.736 563 HD12 LEU 75 HD12 LEU 75 -7.161 -3.037 -7.563 564 HD13 LEU 75 HD13 LEU 75 -7.546 -1.591 -8.503 565 HD21 LEU 75 HD21 LEU 75 -9.131 -2.476 -5.273 566 HD22 LEU 75 HD22 LEU 75 -8.138 -1.421 -4.273 567 HD23 LEU 75 HD23 LEU 75 -7.451 -2.906 -4.934 568 H PHE 76 HN PHE 76 -3.389 0.012 -5.409 569 HA PHE 76 HA PHE 76 -2.196 0.936 -7.767 570 HB2 PHE 76 HB2 PHE 76 -1.386 1.032 -4.851 571 HB3 PHE 76 HB1 PHE 76 -0.229 1.556 -6.069 572 HD1 PHE 76 HD2 PHE 76 -3.686 2.230 -4.797 573 HD2 PHE 76 HD1 PHE 76 -0.379 3.720 -7.028 574 HE1 PHE 76 HE2 PHE 76 -4.752 4.436 -4.890 575 HE2 PHE 76 HE1 PHE 76 -1.450 5.920 -7.129 576 HZ PHE 76 HZ PHE 76 -3.634 6.287 -6.062 577 H VAL 77 HN VAL 77 -0.881 -1.433 -5.402 578 HA VAL 77 HA VAL 77 1.373 -2.066 -7.021 579 HB VAL 77 HB VAL 77 1.892 -3.870 -5.436 580 HG11 VAL 77 HG11 VAL 77 2.177 -2.477 -3.410 581 HG12 VAL 77 HG12 VAL 77 1.033 -1.297 -4.053 582 HG13 VAL 77 HG13 VAL 77 2.568 -1.573 -4.875 583 HG21 VAL 77 HG21 VAL 77 0.474 -4.324 -3.485 584 HG22 VAL 77 HG22 VAL 77 -0.393 -4.678 -4.979 585 HG23 VAL 77 HG23 VAL 77 -0.745 -3.197 -4.089 586 H GLU 78 HN GLU 78 -1.911 -3.362 -7.038 587 HA GLU 78 HA GLU 78 -1.499 -5.757 -8.486 588 HB2 GLU 78 HB2 GLU 78 -3.790 -3.777 -8.965 589 HB3 GLU 78 HB1 GLU 78 -3.736 -5.435 -9.533 590 HG2 GLU 78 HG2 GLU 78 -4.044 -4.479 -6.700 591 HG3 GLU 78 HG1 GLU 78 -5.253 -5.266 -7.693 592 H HIS 79 HN HIS 79 -1.966 -2.387 -9.517 593 HA HIS 79 HA HIS 79 -1.747 -2.801 -12.309 594 HB2 HIS 79 HB2 HIS 79 -1.204 -0.266 -10.710 595 HB3 HIS 79 HB1 HIS 79 -1.455 -0.336 -12.453 596 HD1 HIS 79 HD1 HIS 79 -3.263 1.444 -10.905 597 HD2 HIS 79 HD2 HIS 79 -4.154 -2.567 -11.509 598 HE1 HIS 79 HE1 HIS 79 -5.748 1.261 -10.645 599 HE2 HIS 79 HE2 HIS 79 -6.260 -1.185 -10.928 600 H LYS 80 HN LYS 80 0.641 -1.703 -9.917 601 HA LYS 80 HA LYS 80 2.695 -0.914 -11.633 602 HB2 LYS 80 HB2 LYS 80 2.921 -1.952 -8.781 603 HB3 LYS 80 HB1 LYS 80 4.161 -1.028 -9.623 604 HG2 LYS 80 HG2 LYS 80 1.400 -0.033 -8.859 605 HG3 LYS 80 HG1 LYS 80 2.912 0.377 -8.050 606 HD2 LYS 80 HD2 LYS 80 2.302 1.011 -10.956 607 HD3 LYS 80 HD1 LYS 80 2.040 2.138 -9.625 608 HE2 LYS 80 HE2 LYS 80 4.448 2.119 -9.116 609 HE3 LYS 80 HE1 LYS 80 4.720 0.943 -10.402 610 HZ1 LYS 80 HZ1 LYS 80 3.660 3.680 -10.789 611 HZ2 LYS 80 HZ2 LYS 80 3.968 2.559 -12.007 612 HZ3 LYS 80 HZ3 LYS 80 5.246 3.192 -11.100 613 H LEU 81 HN LEU 81 2.259 -3.979 -9.931 614 HA LEU 81 HA LEU 81 4.633 -5.180 -11.050 615 HB2 LEU 81 HB2 LEU 81 2.426 -6.260 -9.263 616 HB3 LEU 81 HB1 LEU 81 3.710 -7.282 -9.875 617 HG LEU 81 HG LEU 81 4.241 -6.650 -7.595 618 HD11 LEU 81 HD11 LEU 81 6.149 -6.847 -9.100 619 HD12 LEU 81 HD12 LEU 81 6.457 -5.656 -7.839 620 HD13 LEU 81 HD13 LEU 81 6.061 -5.124 -9.477 621 HD21 LEU 81 HD21 LEU 81 4.050 -3.737 -8.422 622 HD22 LEU 81 HD22 LEU 81 4.598 -4.334 -6.852 623 HD23 LEU 81 HD23 LEU 81 2.933 -4.602 -7.362 624 H SER 82 HN SER 82 1.332 -4.899 -12.082 625 HA SER 82 HA SER 82 1.558 -7.041 -14.070 626 HB2 SER 82 HB2 SER 82 -0.644 -4.997 -13.571 627 HB3 SER 82 HB1 SER 82 -0.718 -6.255 -14.808 628 HG SER 82 HG SER 82 -0.611 -6.572 -11.998 629 H HIS 83 HN HIS 83 2.536 -3.772 -13.835 630 HA HIS 83 HA HIS 83 2.466 -3.219 -16.705 631 HB2 HIS 83 HB2 HIS 83 3.625 -1.673 -14.340 632 HB3 HIS 83 HB1 HIS 83 3.856 -1.154 -16.005 633 HD1 HIS 83 HD1 HIS 83 1.075 -1.475 -17.163 634 HD2 HIS 83 HD2 HIS 83 1.777 0.091 -13.379 635 HE1 HIS 83 HE1 HIS 83 -0.956 -0.118 -16.609 636 HE2 HIS 83 HE2 HIS 83 -0.490 0.872 -14.346 637 H282 PNS 84 H282 PNS 84 8.499 14.152 7.900 638 H281 PNS 84 H281 PNS 84 7.612 12.638 8.082 639 H303 PNS 84 H303 PNS 84 5.246 13.247 6.151 640 H302 PNS 84 H302 PNS 84 6.020 12.584 4.713 641 H301 PNS 84 H301 PNS 84 6.168 11.741 6.253 642 H313 PNS 84 H313 PNS 84 8.808 11.852 6.119 643 H312 PNS 84 H312 PNS 84 8.483 12.492 4.514 644 H311 PNS 84 H311 PNS 84 9.545 13.377 5.610 645 H32 PNS 84 H32 PNS 84 6.734 15.627 6.083 646 H33 PNS 84 H33 PNS 84 8.899 15.662 4.437 647 H36 PNS 84 H36 PNS 84 8.088 13.650 3.310 648 H372 PNS 84 H372 PNS 84 6.755 15.037 1.267 649 H371 PNS 84 H371 PNS 84 7.447 13.420 1.141 650 H382 PNS 84 H382 PNS 84 4.798 13.704 2.541 651 H381 PNS 84 H381 PNS 84 4.824 13.869 0.786 652 H41 PNS 84 H41 PNS 84 3.289 12.039 1.377 653 H422 PNS 84 H422 PNS 84 4.043 9.679 0.234 654 H421 PNS 84 H421 PNS 84 4.337 9.429 1.959 655 H431 PNS 84 H431 PNS 84 2.036 9.831 2.493 656 H432 PNS 84 H432 PNS 84 2.054 8.697 1.133 657 H44 PNS 84 H44 PNS 84 1.711 10.832 -0.749 Start of MODEL 5 1 H MET 1 HT1 MET 1 -8.327 -7.663 -5.521 2 HA MET 1 HA MET 1 -6.099 -8.143 -6.269 3 HB2 MET 1 HB2 MET 1 -6.320 -7.209 -3.370 4 HB3 MET 1 HB1 MET 1 -4.890 -6.996 -4.380 5 HG2 MET 1 HG2 MET 1 -6.038 -4.935 -4.422 6 HG3 MET 1 HG1 MET 1 -6.350 -5.699 -5.979 7 HE1 MET 1 HE1 MET 1 -7.807 -4.607 -2.521 8 HE2 MET 1 HE2 MET 1 -7.977 -6.361 -2.394 9 HE3 MET 1 HE3 MET 1 -9.412 -5.340 -2.529 10 H GLN 2 HN GLN 2 -4.070 -9.032 -5.827 11 HA GLN 2 HA GLN 2 -4.002 -11.512 -4.251 12 HB2 GLN 2 HB2 GLN 2 -1.722 -10.356 -5.912 13 HB3 GLN 2 HB1 GLN 2 -1.995 -12.033 -5.457 14 HG2 GLN 2 HG2 GLN 2 -3.848 -10.564 -7.323 15 HG3 GLN 2 HG1 GLN 2 -2.374 -11.337 -7.893 16 HE21 GLN 2 HE21 GLN 2 -4.540 -12.737 -5.386 17 HE22 GLN 2 HE22 GLN 2 -5.030 -14.069 -6.349 18 H HIS 3 HN HIS 3 -2.553 -8.347 -4.599 19 HA HIS 3 HA HIS 3 -0.356 -8.870 -2.899 20 HB2 HIS 3 HB2 HIS 3 -1.271 -6.334 -4.271 21 HB3 HIS 3 HB1 HIS 3 0.210 -6.439 -3.330 22 HD1 HIS 3 HD1 HIS 3 1.797 -8.602 -4.265 23 HD2 HIS 3 HD2 HIS 3 -0.727 -6.664 -6.923 24 HE1 HIS 3 HE1 HIS 3 2.705 -9.104 -6.543 25 HE2 HIS 3 HE2 HIS 3 1.007 -8.134 -8.129 26 H LEU 4 HN LEU 4 -3.538 -7.694 -2.231 27 HA LEU 4 HA LEU 4 -3.252 -5.734 -0.311 28 HB2 LEU 4 HB2 LEU 4 -5.452 -6.173 0.447 29 HB3 LEU 4 HB1 LEU 4 -5.455 -6.630 -1.245 30 HG LEU 4 HG LEU 4 -5.232 -8.635 1.038 31 HD11 LEU 4 HD11 LEU 4 -7.371 -7.482 1.206 32 HD12 LEU 4 HD12 LEU 4 -7.590 -9.160 0.712 33 HD13 LEU 4 HD13 LEU 4 -7.731 -7.865 -0.482 34 HD21 LEU 4 HD21 LEU 4 -5.837 -10.329 -0.635 35 HD22 LEU 4 HD22 LEU 4 -4.344 -9.500 -1.069 36 HD23 LEU 4 HD23 LEU 4 -5.851 -9.091 -1.897 37 H GLU 5 HN GLU 5 -2.862 -9.196 0.085 38 HA GLU 5 HA GLU 5 -2.916 -9.180 2.946 39 HB2 GLU 5 HB2 GLU 5 -3.669 -11.130 1.683 40 HB3 GLU 5 HB1 GLU 5 -2.068 -11.340 0.983 41 HG2 GLU 5 HG2 GLU 5 -1.129 -11.926 3.133 42 HG3 GLU 5 HG1 GLU 5 -2.637 -11.518 3.958 43 H ALA 6 HN ALA 6 -0.379 -9.399 0.480 44 HA ALA 6 HA ALA 6 1.856 -9.512 2.229 45 HB1 ALA 6 HB1 ALA 6 1.975 -10.207 -0.129 46 HB2 ALA 6 HB2 ALA 6 3.190 -8.981 0.236 47 HB3 ALA 6 HB3 ALA 6 1.725 -8.536 -0.641 48 H VAL 7 HN VAL 7 -0.118 -6.859 1.071 49 HA VAL 7 HA VAL 7 1.658 -4.717 1.734 50 HB VAL 7 HB VAL 7 -1.383 -4.699 1.336 51 HG11 VAL 7 HG11 VAL 7 -1.212 -2.230 1.238 52 HG12 VAL 7 HG12 VAL 7 0.503 -2.317 1.640 53 HG13 VAL 7 HG13 VAL 7 -0.709 -2.832 2.814 54 HG21 VAL 7 HG21 VAL 7 0.865 -3.782 -0.514 55 HG22 VAL 7 HG22 VAL 7 -0.864 -3.580 -0.827 56 HG23 VAL 7 HG23 VAL 7 -0.165 -5.199 -0.740 57 H ARG 8 HN ARG 8 -1.162 -6.217 3.383 58 HA ARG 8 HA ARG 8 -0.994 -4.570 5.744 59 HB2 ARG 8 HB2 ARG 8 -2.631 -6.067 6.771 60 HB3 ARG 8 HB1 ARG 8 -3.113 -5.687 5.125 61 HG2 ARG 8 HG2 ARG 8 -2.268 -7.900 4.385 62 HG3 ARG 8 HG1 ARG 8 -1.847 -8.277 6.055 63 HD2 ARG 8 HD2 ARG 8 -4.238 -8.071 6.680 64 HD3 ARG 8 HD1 ARG 8 -4.637 -7.729 4.992 65 HE ARG 8 HE ARG 8 -3.214 -10.183 5.209 66 HH11 ARG 8 HH11 ARG 8 -6.408 -8.848 5.841 67 HH12 ARG 8 HH12 ARG 8 -7.214 -10.362 5.588 68 HH21 ARG 8 HH21 ARG 8 -4.302 -12.175 4.910 69 HH22 ARG 8 HH22 ARG 8 -6.030 -12.238 5.067 70 H ASN 9 HN ASN 9 0.533 -7.494 4.674 71 HA ASN 9 HA ASN 9 1.503 -8.531 7.114 72 HB2 ASN 9 HB2 ASN 9 1.421 -9.790 4.969 73 HB3 ASN 9 HB1 ASN 9 2.625 -8.709 4.282 74 HD21 ASN 9 HD21 ASN 9 4.030 -10.394 3.833 75 HD22 ASN 9 HD22 ASN 9 4.884 -11.258 5.060 76 H ILE 10 HN ILE 10 3.097 -6.578 4.595 77 HA ILE 10 HA ILE 10 5.512 -6.081 5.950 78 HB ILE 10 HB ILE 10 4.176 -4.514 3.698 79 HG12 ILE 10 HG12 ILE 10 6.437 -6.571 3.559 80 HG13 ILE 10 HG11 ILE 10 4.754 -6.913 3.182 81 HG21 ILE 10 HG21 ILE 10 5.799 -3.048 4.803 82 HG22 ILE 10 HG22 ILE 10 6.414 -3.534 3.226 83 HG23 ILE 10 HG23 ILE 10 7.049 -4.292 4.688 84 HD11 ILE 10 HD11 ILE 10 6.525 -4.973 1.701 85 HD12 ILE 10 HD12 ILE 10 4.842 -5.343 1.317 86 HD13 ILE 10 HD13 ILE 10 6.076 -6.594 1.174 87 H LEU 11 HN LEU 11 2.608 -4.023 5.567 88 HA LEU 11 HA LEU 11 3.484 -1.817 7.052 89 HB2 LEU 11 HB2 LEU 11 0.775 -2.813 6.199 90 HB3 LEU 11 HB1 LEU 11 0.825 -1.573 7.439 91 HG LEU 11 HG LEU 11 2.044 -0.062 5.909 92 HD11 LEU 11 HD11 LEU 11 1.699 -2.197 3.786 93 HD12 LEU 11 HD12 LEU 11 3.224 -1.672 4.510 94 HD13 LEU 11 HD13 LEU 11 2.288 -0.550 3.528 95 HD21 LEU 11 HD21 LEU 11 0.174 0.463 4.405 96 HD22 LEU 11 HD22 LEU 11 -0.403 0.060 6.021 97 HD23 LEU 11 HD23 LEU 11 -0.537 -1.123 4.719 98 H GLY 12 HN GLY 12 1.816 -4.782 8.137 99 HA2 GLY 12 HA2 GLY 12 1.432 -3.868 10.830 100 HA3 GLY 12 HA1 GLY 12 1.224 -5.496 10.224 101 H ASP 13 HN ASP 13 4.066 -5.419 9.127 102 HA ASP 13 HA ASP 13 5.488 -6.270 11.482 103 HB2 ASP 13 HB2 ASP 13 6.165 -6.033 8.534 104 HB3 ASP 13 HB1 ASP 13 7.472 -6.241 9.689 105 H VAL 14 HN VAL 14 5.698 -3.461 9.285 106 HA VAL 14 HA VAL 14 7.909 -2.181 10.565 107 HB VAL 14 HB VAL 14 5.779 -0.927 8.762 108 HG11 VAL 14 HG11 VAL 14 7.031 0.802 9.992 109 HG12 VAL 14 HG12 VAL 14 7.464 0.835 8.284 110 HG13 VAL 14 HG13 VAL 14 8.563 0.108 9.460 111 HG21 VAL 14 HG21 VAL 14 6.941 -2.842 7.691 112 HG22 VAL 14 HG22 VAL 14 8.492 -2.057 7.976 113 HG23 VAL 14 HG23 VAL 14 7.316 -1.311 6.892 114 H LEU 15 HN LEU 15 4.417 -1.663 10.690 115 HA LEU 15 HA LEU 15 4.568 0.434 12.687 116 HB2 LEU 15 HB2 LEU 15 2.115 -0.921 11.520 117 HB3 LEU 15 HB1 LEU 15 2.151 0.591 12.404 118 HG LEU 15 HG LEU 15 3.215 0.086 9.602 119 HD11 LEU 15 HD11 LEU 15 1.528 1.731 8.903 120 HD12 LEU 15 HD12 LEU 15 0.950 1.855 10.564 121 HD13 LEU 15 HD13 LEU 15 0.794 0.333 9.686 122 HD21 LEU 15 HD21 LEU 15 3.451 2.621 11.246 123 HD22 LEU 15 HD22 LEU 15 3.832 2.468 9.528 124 HD23 LEU 15 HD23 LEU 15 4.776 1.576 10.715 125 H ASN 16 HN ASN 16 4.658 -2.909 12.811 126 HA ASN 16 HA ASN 16 4.855 -4.334 14.544 127 HB2 ASN 16 HB2 ASN 16 6.011 -2.360 15.643 128 HB3 ASN 16 HB1 ASN 16 4.484 -1.934 16.399 129 HD21 ASN 16 HD21 ASN 16 7.101 -4.271 16.337 130 HD22 ASN 16 HD22 ASN 16 6.786 -4.961 17.887 131 H LEU 17 HN LEU 17 2.184 -3.551 13.371 132 HA LEU 17 HA LEU 17 0.113 -3.857 15.260 133 HB2 LEU 17 HB2 LEU 17 0.331 -4.334 12.294 134 HB3 LEU 17 HB1 LEU 17 -1.069 -4.980 13.123 135 HG LEU 17 HG LEU 17 -1.751 -2.739 13.835 136 HD11 LEU 17 HD11 LEU 17 0.675 -1.696 12.363 137 HD12 LEU 17 HD12 LEU 17 0.403 -1.661 14.106 138 HD13 LEU 17 HD13 LEU 17 -0.624 -0.706 13.041 139 HD21 LEU 17 HD21 LEU 17 -1.190 -2.853 10.848 140 HD22 LEU 17 HD22 LEU 17 -2.387 -1.820 11.640 141 HD23 LEU 17 HD23 LEU 17 -2.576 -3.571 11.676 142 H GLY 18 HN GLY 18 2.059 -6.248 13.517 143 HA2 GLY 18 HA2 GLY 18 2.478 -8.460 13.833 144 HA3 GLY 18 HA1 GLY 18 1.967 -8.225 15.494 145 H GLU 19 HN GLU 19 -0.294 -8.461 15.975 146 HA GLU 19 HA GLU 19 -1.585 -10.616 14.491 147 HB2 GLU 19 HB2 GLU 19 -1.353 -10.673 16.983 148 HB3 GLU 19 HB1 GLU 19 -2.338 -9.218 17.098 149 HG2 GLU 19 HG2 GLU 19 -4.250 -10.466 16.104 150 HG3 GLU 19 HG1 GLU 19 -3.253 -11.921 16.070 151 H ARG 20 HN ARG 20 -2.036 -7.207 15.249 152 HA ARG 20 HA ARG 20 -4.754 -6.883 14.571 153 HB2 ARG 20 HB2 ARG 20 -3.098 -5.329 15.909 154 HB3 ARG 20 HB1 ARG 20 -2.740 -4.625 14.349 155 HG2 ARG 20 HG2 ARG 20 -5.538 -4.725 15.529 156 HG3 ARG 20 HG1 ARG 20 -4.426 -3.386 15.790 157 HD2 ARG 20 HD2 ARG 20 -4.382 -2.975 13.339 158 HD3 ARG 20 HD1 ARG 20 -5.543 -4.287 13.114 159 HE ARG 20 HE ARG 20 -6.175 -1.915 14.768 160 HH11 ARG 20 HH11 ARG 20 -7.040 -4.035 12.110 161 HH12 ARG 20 HH12 ARG 20 -8.576 -3.279 11.842 162 HH21 ARG 20 HH21 ARG 20 -8.166 -0.904 14.390 163 HH22 ARG 20 HH22 ARG 20 -9.225 -1.501 13.150 164 H LYS 21 HN LYS 21 -1.877 -6.975 12.586 165 HA LYS 21 HA LYS 21 -2.942 -5.758 10.236 166 HB2 LYS 21 HB2 LYS 21 -0.983 -6.540 9.083 167 HB3 LYS 21 HB1 LYS 21 -0.517 -5.922 10.663 168 HG2 LYS 21 HG2 LYS 21 -0.282 -8.164 11.526 169 HG3 LYS 21 HG1 LYS 21 -0.901 -8.858 10.028 170 HD2 LYS 21 HD2 LYS 21 1.125 -7.708 8.898 171 HD3 LYS 21 HD1 LYS 21 1.752 -7.486 10.536 172 HE2 LYS 21 HE2 LYS 21 1.560 -9.950 10.874 173 HE3 LYS 21 HE1 LYS 21 1.074 -10.100 9.183 174 HZ1 LYS 21 HZ1 LYS 21 3.211 -9.138 8.537 175 HZ2 LYS 21 HZ2 LYS 21 3.427 -10.547 9.443 176 HZ3 LYS 21 HZ3 LYS 21 3.675 -9.037 10.159 177 H HIS 22 HN HIS 22 -3.017 -9.011 11.504 178 HA HIS 22 HA HIS 22 -3.722 -10.289 9.001 179 HB2 HIS 22 HB2 HIS 22 -2.355 -11.464 10.707 180 HB3 HIS 22 HB1 HIS 22 -3.685 -11.374 11.854 181 HD1 HIS 22 HD1 HIS 22 -5.092 -13.437 11.940 182 HD2 HIS 22 HD2 HIS 22 -3.146 -13.052 8.296 183 HE1 HIS 22 HE1 HIS 22 -5.676 -15.497 10.642 184 HE2 HIS 22 HE2 HIS 22 -4.314 -15.335 8.533 185 H THR 23 HN THR 23 -5.382 -8.976 11.781 186 HA THR 23 HA THR 23 -7.917 -10.314 11.231 187 HB THR 23 HB THR 23 -7.183 -10.005 13.572 188 HG1 THR 23 HG1 THR 23 -9.358 -10.197 13.416 189 HG21 THR 23 HG21 THR 23 -7.650 -7.040 13.105 190 HG22 THR 23 HG22 THR 23 -6.081 -7.805 13.375 191 HG23 THR 23 HG23 THR 23 -7.294 -7.800 14.658 192 H LEU 24 HN LEU 24 -6.450 -7.554 9.961 193 HA LEU 24 HA LEU 24 -9.038 -6.181 9.512 194 HB2 LEU 24 HB2 LEU 24 -7.725 -4.260 8.683 195 HB3 LEU 24 HB1 LEU 24 -7.372 -4.675 10.335 196 HG LEU 24 HG LEU 24 -5.245 -5.833 9.425 197 HD11 LEU 24 HD11 LEU 24 -4.336 -4.999 7.322 198 HD12 LEU 24 HD12 LEU 24 -5.831 -4.120 6.992 199 HD13 LEU 24 HD13 LEU 24 -5.834 -5.886 7.043 200 HD21 LEU 24 HD21 LEU 24 -3.973 -3.723 9.442 201 HD22 LEU 24 HD22 LEU 24 -5.183 -3.758 10.721 202 HD23 LEU 24 HD23 LEU 24 -5.475 -2.809 9.262 203 H THR 25 HN THR 25 -9.548 -5.455 7.300 204 HA THR 25 HA THR 25 -8.851 -7.555 5.323 205 HB THR 25 HB THR 25 -11.125 -7.313 4.411 206 HG1 THR 25 HG1 THR 25 -11.712 -5.454 6.495 207 HG21 THR 25 HG21 THR 25 -11.261 -7.593 7.437 208 HG22 THR 25 HG22 THR 25 -10.939 -8.897 6.293 209 HG23 THR 25 HG23 THR 25 -12.508 -8.100 6.294 210 H ALA 26 HN ALA 26 -9.693 -6.643 2.993 211 HA ALA 26 HA ALA 26 -8.040 -4.534 2.132 212 HB1 ALA 26 HB1 ALA 26 -9.311 -4.625 0.026 213 HB2 ALA 26 HB2 ALA 26 -10.562 -5.596 0.811 214 HB3 ALA 26 HB3 ALA 26 -8.937 -6.248 0.609 215 H SER 27 HN SER 27 -11.364 -4.588 3.273 216 HA SER 27 HA SER 27 -12.043 -1.905 2.496 217 HB2 SER 27 HB2 SER 27 -13.463 -3.817 4.396 218 HB3 SER 27 HB1 SER 27 -14.148 -2.339 3.719 219 HG SER 27 HG SER 27 -13.228 -3.771 1.689 220 H SER 28 HN SER 28 -10.253 -3.182 5.165 221 HA SER 28 HA SER 28 -11.078 -1.373 7.213 222 HB2 SER 28 HB2 SER 28 -9.173 -2.140 8.489 223 HB3 SER 28 HB1 SER 28 -9.835 -3.532 7.640 224 HG SER 28 HG SER 28 -8.115 -2.765 5.972 225 H VAL 29 HN VAL 29 -10.218 0.553 7.876 226 HA VAL 29 HA VAL 29 -8.823 2.162 5.886 227 HB VAL 29 HB VAL 29 -9.991 2.921 8.611 228 HG11 VAL 29 HG11 VAL 29 -8.287 4.549 7.894 229 HG12 VAL 29 HG12 VAL 29 -9.898 5.263 7.837 230 HG13 VAL 29 HG13 VAL 29 -9.111 4.749 6.345 231 HG21 VAL 29 HG21 VAL 29 -11.736 2.080 7.103 232 HG22 VAL 29 HG22 VAL 29 -11.222 3.206 5.842 233 HG23 VAL 29 HG23 VAL 29 -11.919 3.821 7.344 234 H LEU 30 HN LEU 30 -6.767 3.048 6.186 235 HA LEU 30 HA LEU 30 -5.154 2.012 8.465 236 HB2 LEU 30 HB2 LEU 30 -4.142 3.014 5.777 237 HB3 LEU 30 HB1 LEU 30 -3.198 2.210 7.031 238 HG LEU 30 HG LEU 30 -5.419 0.892 5.412 239 HD11 LEU 30 HD11 LEU 30 -3.472 1.379 4.036 240 HD12 LEU 30 HD12 LEU 30 -3.642 -0.357 4.294 241 HD13 LEU 30 HD13 LEU 30 -2.422 0.553 5.191 242 HD21 LEU 30 HD21 LEU 30 -3.516 -0.361 7.429 243 HD22 LEU 30 HD22 LEU 30 -4.679 -1.230 6.423 244 HD23 LEU 30 HD23 LEU 30 -5.250 -0.105 7.652 245 H LEU 31 HN LEU 31 -4.763 4.708 6.192 246 HA LEU 31 HA LEU 31 -3.672 6.606 7.869 247 HB2 LEU 31 HB2 LEU 31 -3.685 6.756 5.420 248 HB3 LEU 31 HB1 LEU 31 -5.430 6.914 5.405 249 HG LEU 31 HG LEU 31 -5.063 9.093 6.705 250 HD11 LEU 31 HD11 LEU 31 -2.937 10.261 6.430 251 HD12 LEU 31 HD12 LEU 31 -2.239 8.824 5.678 252 HD13 LEU 31 HD13 LEU 31 -2.737 8.783 7.370 253 HD21 LEU 31 HD21 LEU 31 -4.741 10.418 4.689 254 HD22 LEU 31 HD22 LEU 31 -5.826 9.061 4.403 255 HD23 LEU 31 HD23 LEU 31 -4.155 8.986 3.841 256 H GLY 32 HN GLY 32 -4.521 7.378 9.715 257 HA2 GLY 32 HA2 GLY 32 -5.962 8.830 10.895 258 HA3 GLY 32 HA1 GLY 32 -7.284 8.407 9.817 259 H ASN 33 HN ASN 33 -6.959 5.553 9.971 260 HA ASN 33 HA ASN 33 -8.515 5.077 12.374 261 HB2 ASN 33 HB2 ASN 33 -9.103 3.992 10.216 262 HB3 ASN 33 HB1 ASN 33 -7.566 3.136 10.219 263 HD21 ASN 33 HD21 ASN 33 -8.055 1.030 10.562 264 HD22 ASN 33 HD22 ASN 33 -9.117 0.426 11.775 265 H ILE 34 HN ILE 34 -5.554 3.584 11.023 266 HA ILE 34 HA ILE 34 -4.832 2.305 13.501 267 HB ILE 34 HB ILE 34 -3.057 2.683 11.045 268 HG12 ILE 34 HG12 ILE 34 -5.157 1.568 10.331 269 HG13 ILE 34 HG11 ILE 34 -3.812 0.439 10.271 270 HG21 ILE 34 HG21 ILE 34 -1.884 0.652 11.886 271 HG22 ILE 34 HG22 ILE 34 -2.913 0.681 13.321 272 HG23 ILE 34 HG23 ILE 34 -1.801 2.012 13.008 273 HD11 ILE 34 HD11 ILE 34 -5.943 0.563 12.406 274 HD12 ILE 34 HD12 ILE 34 -4.589 -0.569 12.382 275 HD13 ILE 34 HD13 ILE 34 -5.811 -0.628 11.114 276 HA PRO 35 HA PRO 35 -2.966 6.160 15.008 277 HB2 PRO 35 HB2 PRO 35 -1.999 5.236 17.400 278 HB3 PRO 35 HB1 PRO 35 -3.722 5.523 17.119 279 HG2 PRO 35 HG2 PRO 35 -2.189 2.926 16.988 280 HG3 PRO 35 HG1 PRO 35 -3.748 3.267 17.776 281 HD2 PRO 35 HD2 PRO 35 -3.593 2.097 15.329 282 HD3 PRO 35 HD1 PRO 35 -4.923 3.184 15.758 283 H GLU 36 HN GLU 36 -1.280 3.256 14.196 284 HA GLU 36 HA GLU 36 1.388 4.234 14.793 285 HB2 GLU 36 HB2 GLU 36 0.587 1.719 13.275 286 HB3 GLU 36 HB1 GLU 36 2.133 2.050 14.050 287 HG2 GLU 36 HG2 GLU 36 -0.522 1.494 15.396 288 HG3 GLU 36 HG1 GLU 36 0.912 0.471 15.390 289 H LEU 37 HN LEU 37 -0.825 4.512 12.219 290 HA LEU 37 HA LEU 37 1.100 4.672 10.050 291 HB2 LEU 37 HB2 LEU 37 -1.396 3.899 9.925 292 HB3 LEU 37 HB1 LEU 37 -1.802 5.597 9.967 293 HG LEU 37 HG LEU 37 -1.853 4.557 7.673 294 HD11 LEU 37 HD11 LEU 37 -0.742 6.362 6.468 295 HD12 LEU 37 HD12 LEU 37 0.129 6.824 7.932 296 HD13 LEU 37 HD13 LEU 37 -1.629 6.972 7.866 297 HD21 LEU 37 HD21 LEU 37 1.161 4.362 7.963 298 HD22 LEU 37 HD22 LEU 37 0.234 4.054 6.492 299 HD23 LEU 37 HD23 LEU 37 0.029 3.009 7.895 300 H ASP 38 HN ASP 38 2.487 6.200 11.046 301 HA ASP 38 HA ASP 38 1.677 8.983 11.388 302 HB2 ASP 38 HB2 ASP 38 3.018 7.936 13.162 303 HB3 ASP 38 HB1 ASP 38 4.207 7.379 11.999 304 H SER 39 HN SER 39 3.221 10.636 10.437 305 HA SER 39 HA SER 39 3.629 10.748 7.748 306 HB2 SER 39 HB2 SER 39 5.089 11.995 10.079 307 HB3 SER 39 HB1 SER 39 5.650 12.315 8.447 308 H MET 40 HN MET 40 6.369 10.049 9.972 309 HA MET 40 HA MET 40 8.091 9.235 7.861 310 HB2 MET 40 HB2 MET 40 8.330 8.905 10.866 311 HB3 MET 40 HB1 MET 40 9.592 8.444 9.723 312 HG2 MET 40 HG2 MET 40 8.475 11.240 10.072 313 HG3 MET 40 HG1 MET 40 10.029 10.657 10.681 314 HE1 MET 40 HE1 MET 40 12.045 9.852 9.008 315 HE2 MET 40 HE2 MET 40 11.936 9.976 7.255 316 HE3 MET 40 HE3 MET 40 10.950 8.798 8.114 317 H ALA 41 HN ALA 41 5.817 7.562 9.826 318 HA ALA 41 HA ALA 41 6.604 4.890 9.373 319 HB1 ALA 41 HB1 ALA 41 4.323 4.321 10.040 320 HB2 ALA 41 HB2 ALA 41 3.836 6.004 9.875 321 HB3 ALA 41 HB3 ALA 41 5.009 5.541 11.108 322 H VAL 42 HN VAL 42 4.528 7.102 7.388 323 HA VAL 42 HA VAL 42 3.831 5.080 5.486 324 HB VAL 42 HB VAL 42 2.998 6.728 3.972 325 HG11 VAL 42 HG11 VAL 42 1.480 8.094 5.334 326 HG12 VAL 42 HG12 VAL 42 2.444 7.731 6.766 327 HG13 VAL 42 HG13 VAL 42 1.593 6.437 5.925 328 HG21 VAL 42 HG21 VAL 42 4.875 8.304 3.882 329 HG22 VAL 42 HG22 VAL 42 4.478 8.904 5.485 330 HG23 VAL 42 HG23 VAL 42 3.362 9.164 4.155 331 H VAL 43 HN VAL 43 6.513 7.359 5.784 332 HA VAL 43 HA VAL 43 7.687 7.002 3.213 333 HB VAL 43 HB VAL 43 9.219 7.542 5.804 334 HG11 VAL 43 HG11 VAL 43 10.815 8.779 4.396 335 HG12 VAL 43 HG12 VAL 43 9.883 8.359 2.957 336 HG13 VAL 43 HG13 VAL 43 10.685 7.092 3.886 337 HG21 VAL 43 HG21 VAL 43 7.330 9.066 5.702 338 HG22 VAL 43 HG22 VAL 43 7.749 9.545 4.054 339 HG23 VAL 43 HG23 VAL 43 8.825 9.953 5.394 340 H ASN 44 HN ASN 44 8.158 5.392 6.285 341 HA ASN 44 HA ASN 44 10.156 3.555 5.650 342 HB2 ASN 44 HB2 ASN 44 8.025 3.716 7.787 343 HB3 ASN 44 HB1 ASN 44 9.125 2.331 7.738 344 HD21 ASN 44 HD21 ASN 44 8.830 4.393 9.788 345 HD22 ASN 44 HD22 ASN 44 10.384 5.125 9.964 346 H VAL 45 HN VAL 45 6.612 3.068 5.670 347 HA VAL 45 HA VAL 45 6.779 0.300 4.922 348 HB VAL 45 HB VAL 45 4.312 0.379 4.618 349 HG11 VAL 45 HG11 VAL 45 3.703 0.892 6.967 350 HG12 VAL 45 HG12 VAL 45 5.259 1.697 7.189 351 HG13 VAL 45 HG13 VAL 45 5.201 -0.034 6.862 352 HG21 VAL 45 HG21 VAL 45 3.057 2.451 5.132 353 HG22 VAL 45 HG22 VAL 45 4.052 2.617 3.685 354 HG23 VAL 45 HG23 VAL 45 4.581 3.343 5.207 355 H ILE 46 HN ILE 46 6.446 3.312 3.077 356 HA ILE 46 HA ILE 46 5.790 2.162 0.551 357 HB ILE 46 HB ILE 46 7.199 4.772 1.271 358 HG12 ILE 46 HG12 ILE 46 4.448 4.255 0.027 359 HG13 ILE 46 HG11 ILE 46 4.737 4.558 1.739 360 HG21 ILE 46 HG21 ILE 46 8.113 4.122 -0.925 361 HG22 ILE 46 HG22 ILE 46 7.033 5.502 -1.097 362 HG23 ILE 46 HG23 ILE 46 6.483 3.891 -1.558 363 HD11 ILE 46 HD11 ILE 46 3.911 6.536 0.619 364 HD12 ILE 46 HD12 ILE 46 5.249 6.491 -0.525 365 HD13 ILE 46 HD13 ILE 46 5.559 6.807 1.186 366 H THR 47 HN THR 47 8.888 3.077 2.032 367 HA THR 47 HA THR 47 10.675 2.248 0.081 368 HB THR 47 HB THR 47 11.065 2.140 3.109 369 HG1 THR 47 HG1 THR 47 10.886 4.227 2.815 370 HG21 THR 47 HG21 THR 47 13.174 2.259 0.905 371 HG22 THR 47 HG22 THR 47 12.855 0.867 1.940 372 HG23 THR 47 HG23 THR 47 13.489 2.359 2.636 373 H ALA 48 HN ALA 48 9.355 0.374 2.802 374 HA ALA 48 HA ALA 48 10.668 -2.064 2.304 375 HB1 ALA 48 HB1 ALA 48 9.039 -3.034 3.856 376 HB2 ALA 48 HB2 ALA 48 8.030 -1.593 3.719 377 HB3 ALA 48 HB3 ALA 48 9.630 -1.483 4.458 378 H LEU 49 HN LEU 49 7.429 -0.940 1.223 379 HA LEU 49 HA LEU 49 6.563 -3.243 -0.140 380 HB2 LEU 49 HB2 LEU 49 5.835 -0.351 -0.172 381 HB3 LEU 49 HB1 LEU 49 5.471 -1.174 -1.670 382 HG LEU 49 HG LEU 49 3.525 -1.049 -0.124 383 HD11 LEU 49 HD11 LEU 49 3.585 -2.818 -1.793 384 HD12 LEU 49 HD12 LEU 49 2.810 -3.390 -0.319 385 HD13 LEU 49 HD13 LEU 49 4.469 -3.875 -0.688 386 HD21 LEU 49 HD21 LEU 49 3.430 -2.431 1.892 387 HD22 LEU 49 HD22 LEU 49 4.694 -1.211 2.018 388 HD23 LEU 49 HD23 LEU 49 5.123 -2.890 1.679 389 H GLU 50 HN GLU 50 8.431 -0.471 -1.309 390 HA GLU 50 HA GLU 50 8.800 -1.189 -3.985 391 HB2 GLU 50 HB2 GLU 50 10.644 0.395 -2.151 392 HB3 GLU 50 HB1 GLU 50 10.789 0.340 -3.904 393 HG2 GLU 50 HG2 GLU 50 8.631 1.437 -4.163 394 HG3 GLU 50 HG1 GLU 50 8.367 1.406 -2.422 395 H GLU 51 HN GLU 51 10.749 -1.963 -1.107 396 HA GLU 51 HA GLU 51 12.938 -3.217 -2.338 397 HB2 GLU 51 HB2 GLU 51 11.750 -3.656 0.438 398 HB3 GLU 51 HB1 GLU 51 13.288 -4.335 -0.081 399 HG2 GLU 51 HG2 GLU 51 12.630 -1.390 0.185 400 HG3 GLU 51 HG1 GLU 51 13.622 -2.343 1.283 401 H TYR 52 HN TYR 52 10.118 -4.743 -0.759 402 HA TYR 52 HA TYR 52 10.930 -7.392 -1.381 403 HB2 TYR 52 HB2 TYR 52 8.253 -6.338 -0.385 404 HB3 TYR 52 HB1 TYR 52 8.675 -8.048 -0.480 405 HD1 TYR 52 HD1 TYR 52 11.098 -8.590 0.688 406 HD2 TYR 52 HD2 TYR 52 8.512 -5.356 1.750 407 HE1 TYR 52 HE1 TYR 52 12.169 -8.452 2.892 408 HE2 TYR 52 HE2 TYR 52 9.582 -5.223 3.951 409 HH TYR 52 HH TYR 52 10.871 -6.637 5.461 410 H PHE 53 HN PHE 53 8.310 -5.348 -2.740 411 HA PHE 53 HA PHE 53 7.503 -7.356 -4.647 412 HB2 PHE 53 HB2 PHE 53 6.766 -4.431 -4.367 413 HB3 PHE 53 HB1 PHE 53 6.090 -5.473 -5.607 414 HD1 PHE 53 HD2 PHE 53 6.640 -6.517 -2.049 415 HD2 PHE 53 HD1 PHE 53 3.805 -5.241 -4.983 416 HE1 PHE 53 HE2 PHE 53 4.794 -7.084 -0.528 417 HE2 PHE 53 HE1 PHE 53 1.976 -5.807 -3.456 418 HZ PHE 53 HZ PHE 53 2.459 -6.726 -1.229 419 H ASP 54 HN ASP 54 9.957 -4.910 -4.625 420 HA ASP 54 HA ASP 54 11.610 -4.377 -6.033 421 HB2 ASP 54 HB2 ASP 54 11.912 -6.762 -6.488 422 HB3 ASP 54 HB1 ASP 54 10.601 -6.754 -7.659 423 H PHE 55 HN PHE 55 9.949 -2.554 -6.112 424 HA PHE 55 HA PHE 55 10.119 -1.520 -8.830 425 HB2 PHE 55 HB2 PHE 55 7.793 -0.881 -9.035 426 HB3 PHE 55 HB1 PHE 55 7.815 -2.597 -8.665 427 HD1 PHE 55 HD2 PHE 55 7.587 -3.163 -6.039 428 HD2 PHE 55 HD1 PHE 55 6.295 0.475 -7.853 429 HE1 PHE 55 HE2 PHE 55 6.050 -2.758 -4.162 430 HE2 PHE 55 HE1 PHE 55 4.777 0.867 -5.976 431 HZ PHE 55 HZ PHE 55 4.646 -0.743 -4.124 432 H SER 56 HN SER 56 9.047 0.939 -8.585 433 HA SER 56 HA SER 56 9.546 2.009 -5.871 434 HB2 SER 56 HB2 SER 56 11.438 2.602 -7.421 435 HB3 SER 56 HB1 SER 56 10.288 3.424 -8.475 436 HG SER 56 HG SER 56 10.560 4.080 -5.730 437 H VAL 57 HN VAL 57 7.961 3.393 -5.126 438 HA VAL 57 HA VAL 57 5.555 3.798 -6.751 439 HB VAL 57 HB VAL 57 5.862 4.836 -3.896 440 HG11 VAL 57 HG11 VAL 57 3.426 4.467 -3.783 441 HG12 VAL 57 HG12 VAL 57 3.438 3.798 -5.417 442 HG13 VAL 57 HG13 VAL 57 3.845 5.494 -5.158 443 HG21 VAL 57 HG21 VAL 57 5.105 2.719 -2.951 444 HG22 VAL 57 HG22 VAL 57 6.604 2.457 -3.846 445 HG23 VAL 57 HG23 VAL 57 5.059 1.978 -4.552 446 H ASP 58 HN ASP 58 5.188 5.713 -7.800 447 HA ASP 58 HA ASP 58 7.219 7.811 -7.673 448 HB2 ASP 58 HB2 ASP 58 6.451 6.791 -9.862 449 HB3 ASP 58 HB1 ASP 58 4.873 7.526 -9.609 450 H ASP 59 HN ASP 59 6.678 10.067 -7.557 451 HA ASP 59 HA ASP 59 5.076 10.865 -5.411 452 HB2 ASP 59 HB2 ASP 59 6.981 12.185 -6.194 453 HB3 ASP 59 HB1 ASP 59 6.204 12.468 -7.745 454 H ASP 60 HN ASP 60 4.297 10.690 -8.848 455 HA ASP 60 HA ASP 60 2.070 12.439 -8.914 456 HB2 ASP 60 HB2 ASP 60 3.367 11.861 -10.933 457 HB3 ASP 60 HB1 ASP 60 2.874 10.178 -10.798 458 H GLU 61 HN GLU 61 2.400 9.016 -8.209 459 HA GLU 61 HA GLU 61 -0.527 8.600 -8.186 460 HB2 GLU 61 HB2 GLU 61 -0.031 6.202 -8.055 461 HB3 GLU 61 HB1 GLU 61 0.799 6.938 -9.422 462 HG2 GLU 61 HG2 GLU 61 2.891 7.001 -8.095 463 HG3 GLU 61 HG1 GLU 61 2.054 6.207 -6.762 464 H ILE 62 HN ILE 62 2.197 9.010 -6.055 465 HA ILE 62 HA ILE 62 0.922 8.004 -3.684 466 HB ILE 62 HB ILE 62 3.285 9.918 -3.986 467 HG12 ILE 62 HG12 ILE 62 3.190 6.956 -3.236 468 HG13 ILE 62 HG11 ILE 62 3.819 7.627 -4.733 469 HG21 ILE 62 HG21 ILE 62 3.703 9.565 -1.578 470 HG22 ILE 62 HG22 ILE 62 2.218 8.625 -1.453 471 HG23 ILE 62 HG23 ILE 62 2.148 10.340 -1.855 472 HD11 ILE 62 HD11 ILE 62 4.985 8.045 -1.976 473 HD12 ILE 62 HD12 ILE 62 5.622 8.726 -3.479 474 HD13 ILE 62 HD13 ILE 62 5.610 6.978 -3.238 475 H SER 63 HN SER 63 -0.787 8.949 -2.745 476 HA SER 63 HA SER 63 -0.568 11.763 -1.959 477 HB2 SER 63 HB2 SER 63 -2.169 11.722 -3.873 478 HB3 SER 63 HB1 SER 63 -3.128 10.491 -3.053 479 HG SER 63 HG SER 63 -2.994 13.211 -2.644 480 H ALA 64 HN ALA 64 -2.407 12.086 -0.168 481 HA ALA 64 HA ALA 64 -2.188 10.171 1.918 482 HB1 ALA 64 HB1 ALA 64 -4.270 12.348 1.525 483 HB2 ALA 64 HB2 ALA 64 -2.718 12.540 2.339 484 HB3 ALA 64 HB3 ALA 64 -3.949 11.484 3.032 485 H GLN 65 HN GLN 65 -4.404 10.641 -0.737 486 HA GLN 65 HA GLN 65 -6.501 8.878 0.033 487 HB2 GLN 65 HB2 GLN 65 -5.696 9.682 -2.793 488 HB3 GLN 65 HB1 GLN 65 -7.261 9.054 -2.286 489 HG2 GLN 65 HG2 GLN 65 -6.059 11.738 -1.536 490 HG3 GLN 65 HG1 GLN 65 -7.391 11.456 -2.657 491 HE21 GLN 65 HE21 GLN 65 -6.433 11.597 0.698 492 HE22 GLN 65 HE22 GLN 65 -8.025 11.573 1.367 493 H THR 66 HN THR 66 -3.298 8.206 -0.999 494 HA THR 66 HA THR 66 -3.732 5.645 -2.202 495 HB THR 66 HB THR 66 -1.226 6.839 -0.924 496 HG1 THR 66 HG1 THR 66 -2.358 6.939 -3.508 497 HG21 THR 66 HG21 THR 66 -1.450 4.478 -2.836 498 HG22 THR 66 HG22 THR 66 -1.000 4.379 -1.131 499 HG23 THR 66 HG23 THR 66 0.052 5.212 -2.280 500 H PHE 67 HN PHE 67 -3.172 6.820 1.145 501 HA PHE 67 HA PHE 67 -2.969 4.059 2.137 502 HB2 PHE 67 HB2 PHE 67 -2.202 6.745 3.297 503 HB3 PHE 67 HB1 PHE 67 -2.351 5.333 4.338 504 HD1 PHE 67 HD2 PHE 67 -0.559 6.596 1.295 505 HD2 PHE 67 HD1 PHE 67 -0.597 3.767 4.503 506 HE1 PHE 67 HE2 PHE 67 1.704 5.859 0.681 507 HE2 PHE 67 HE1 PHE 67 1.656 3.036 3.873 508 HZ PHE 67 HZ PHE 67 2.813 4.075 1.970 509 H GLU 68 HN GLU 68 -5.542 5.845 1.481 510 HA GLU 68 HA GLU 68 -6.940 6.245 3.871 511 HB2 GLU 68 HB2 GLU 68 -9.030 6.259 2.496 512 HB3 GLU 68 HB1 GLU 68 -7.757 7.285 1.846 513 HG2 GLU 68 HG2 GLU 68 -7.221 5.612 0.156 514 HG3 GLU 68 HG1 GLU 68 -8.409 4.508 0.840 515 H THR 69 HN THR 69 -7.075 3.353 1.712 516 HA THR 69 HA THR 69 -7.657 1.707 4.101 517 HB THR 69 HB THR 69 -9.106 0.202 2.667 518 HG1 THR 69 HG1 THR 69 -8.824 2.368 0.851 519 HG21 THR 69 HG21 THR 69 -10.204 1.754 4.227 520 HG22 THR 69 HG22 THR 69 -11.155 1.577 2.753 521 HG23 THR 69 HG23 THR 69 -10.176 3.022 2.999 522 H LEU 70 HN LEU 70 -7.190 -0.602 3.753 523 HA LEU 70 HA LEU 70 -4.636 -1.158 2.748 524 HB2 LEU 70 HB2 LEU 70 -5.799 -2.524 4.476 525 HB3 LEU 70 HB1 LEU 70 -6.935 -3.088 3.259 526 HG LEU 70 HG LEU 70 -4.974 -4.135 2.021 527 HD11 LEU 70 HD11 LEU 70 -3.455 -3.441 4.544 528 HD12 LEU 70 HD12 LEU 70 -3.180 -2.775 2.931 529 HD13 LEU 70 HD13 LEU 70 -2.875 -4.482 3.240 530 HD21 LEU 70 HD21 LEU 70 -4.769 -6.096 3.520 531 HD22 LEU 70 HD22 LEU 70 -6.437 -5.547 3.373 532 HD23 LEU 70 HD23 LEU 70 -5.512 -5.167 4.830 533 H GLY 71 HN GLY 71 -7.812 -1.505 1.339 534 HA2 GLY 71 HA2 GLY 71 -7.227 -2.989 -0.983 535 HA3 GLY 71 HA1 GLY 71 -8.614 -1.931 -0.760 536 H SER 72 HN SER 72 -7.094 0.472 -0.273 537 HA SER 72 HA SER 72 -6.749 1.451 -2.889 538 HB2 SER 72 HB2 SER 72 -5.687 2.649 -0.301 539 HB3 SER 72 HB1 SER 72 -5.968 3.507 -1.821 540 HG SER 72 HG SER 72 -8.197 2.961 -1.590 541 H LEU 73 HN LEU 73 -4.255 0.726 -0.356 542 HA LEU 73 HA LEU 73 -1.947 1.127 -1.915 543 HB2 LEU 73 HB2 LEU 73 -2.450 -0.797 0.394 544 HB3 LEU 73 HB1 LEU 73 -0.886 -0.680 -0.381 545 HG LEU 73 HG LEU 73 -0.777 0.544 1.652 546 HD11 LEU 73 HD11 LEU 73 -0.984 2.532 -0.618 547 HD12 LEU 73 HD12 LEU 73 0.425 1.549 -0.207 548 HD13 LEU 73 HD13 LEU 73 -0.146 2.778 0.918 549 HD21 LEU 73 HD21 LEU 73 -2.261 2.371 2.256 550 HD22 LEU 73 HD22 LEU 73 -3.161 0.873 2.032 551 HD23 LEU 73 HD23 LEU 73 -3.205 2.118 0.784 552 H ALA 74 HN ALA 74 -3.999 -1.711 -1.482 553 HA ALA 74 HA ALA 74 -2.457 -3.642 -2.769 554 HB1 ALA 74 HB1 ALA 74 -4.383 -4.129 -1.301 555 HB2 ALA 74 HB2 ALA 74 -4.462 -4.996 -2.836 556 HB3 ALA 74 HB3 ALA 74 -5.478 -3.571 -2.571 557 H LEU 75 HN LEU 75 -5.041 -1.536 -4.104 558 HA LEU 75 HA LEU 75 -4.944 -2.669 -6.722 559 HB2 LEU 75 HB2 LEU 75 -6.315 -0.262 -5.565 560 HB3 LEU 75 HB1 LEU 75 -6.073 -0.280 -7.295 561 HG LEU 75 HG LEU 75 -8.265 -1.084 -6.998 562 HD11 LEU 75 HD11 LEU 75 -6.578 -3.579 -7.330 563 HD12 LEU 75 HD12 LEU 75 -6.981 -2.422 -8.602 564 HD13 LEU 75 HD13 LEU 75 -8.256 -3.360 -7.833 565 HD21 LEU 75 HD21 LEU 75 -7.283 -2.955 -4.832 566 HD22 LEU 75 HD22 LEU 75 -8.935 -2.864 -5.450 567 HD23 LEU 75 HD23 LEU 75 -8.234 -1.486 -4.606 568 H PHE 76 HN PHE 76 -3.352 0.156 -5.223 569 HA PHE 76 HA PHE 76 -2.123 1.201 -7.532 570 HB2 PHE 76 HB2 PHE 76 -1.443 1.331 -4.588 571 HB3 PHE 76 HB1 PHE 76 -0.255 1.910 -5.745 572 HD1 PHE 76 HD1 PHE 76 -1.028 3.688 -7.466 573 HD2 PHE 76 HD2 PHE 76 -3.208 2.808 -3.894 574 HE1 PHE 76 HE1 PHE 76 -2.172 5.851 -7.626 575 HE2 PHE 76 HE2 PHE 76 -4.352 4.980 -4.065 576 HZ PHE 76 HZ PHE 76 -3.840 6.499 -5.929 577 H VAL 77 HN VAL 77 -0.823 -1.177 -5.181 578 HA VAL 77 HA VAL 77 1.569 -1.653 -6.655 579 HB VAL 77 HB VAL 77 2.040 -3.513 -5.110 580 HG11 VAL 77 HG11 VAL 77 2.163 -2.182 -3.022 581 HG12 VAL 77 HG12 VAL 77 1.047 -1.000 -3.709 582 HG13 VAL 77 HG13 VAL 77 2.635 -1.235 -4.434 583 HG21 VAL 77 HG21 VAL 77 -0.242 -4.393 -4.822 584 HG22 VAL 77 HG22 VAL 77 -0.694 -2.958 -3.907 585 HG23 VAL 77 HG23 VAL 77 0.517 -4.070 -3.264 586 H GLU 78 HN GLU 78 -1.660 -3.135 -6.866 587 HA GLU 78 HA GLU 78 -1.043 -5.394 -8.449 588 HB2 GLU 78 HB2 GLU 78 -3.442 -3.509 -8.746 589 HB3 GLU 78 HB1 GLU 78 -3.278 -5.042 -9.590 590 HG2 GLU 78 HG2 GLU 78 -3.515 -4.707 -6.598 591 HG3 GLU 78 HG1 GLU 78 -4.827 -5.140 -7.677 592 H HIS 79 HN HIS 79 -1.769 -2.029 -9.350 593 HA HIS 79 HA HIS 79 -1.478 -2.271 -12.140 594 HB2 HIS 79 HB2 HIS 79 -1.136 0.227 -10.428 595 HB3 HIS 79 HB1 HIS 79 -1.441 0.208 -12.164 596 HD1 HIS 79 HD1 HIS 79 -3.350 1.689 -10.289 597 HD2 HIS 79 HD2 HIS 79 -3.885 -2.279 -11.385 598 HE1 HIS 79 HE1 HIS 79 -5.801 1.235 -10.011 599 HE2 HIS 79 HE2 HIS 79 -6.125 -1.099 -10.890 600 H LYS 80 HN LYS 80 0.847 -1.528 -9.614 601 HA LYS 80 HA LYS 80 2.998 -0.647 -11.213 602 HB2 LYS 80 HB2 LYS 80 3.149 -2.071 -8.521 603 HB3 LYS 80 HB1 LYS 80 4.437 -1.122 -9.258 604 HG2 LYS 80 HG2 LYS 80 1.791 -0.111 -8.198 605 HG3 LYS 80 HG1 LYS 80 3.388 0.181 -7.525 606 HD2 LYS 80 HD2 LYS 80 2.390 1.171 -10.213 607 HD3 LYS 80 HD1 LYS 80 2.516 2.139 -8.741 608 HE2 LYS 80 HE2 LYS 80 4.975 1.816 -8.750 609 HE3 LYS 80 HE1 LYS 80 4.839 0.862 -10.233 610 HZ1 LYS 80 HZ1 LYS 80 3.894 2.798 -11.332 611 HZ2 LYS 80 HZ2 LYS 80 5.436 3.127 -10.726 612 HZ3 LYS 80 HZ3 LYS 80 4.070 3.707 -9.916 613 H LEU 81 HN LEU 81 2.376 -3.888 -9.817 614 HA LEU 81 HA LEU 81 4.684 -4.968 -11.225 615 HB2 LEU 81 HB2 LEU 81 2.768 -6.211 -9.227 616 HB3 LEU 81 HB1 LEU 81 4.035 -7.127 -10.019 617 HG LEU 81 HG LEU 81 4.921 -6.600 -7.888 618 HD11 LEU 81 HD11 LEU 81 6.843 -5.157 -8.301 619 HD12 LEU 81 HD12 LEU 81 6.087 -4.523 -9.764 620 HD13 LEU 81 HD13 LEU 81 6.548 -6.227 -9.672 621 HD21 LEU 81 HD21 LEU 81 3.319 -4.917 -7.162 622 HD22 LEU 81 HD22 LEU 81 4.050 -3.716 -8.227 623 HD23 LEU 81 HD23 LEU 81 4.967 -4.366 -6.864 624 H SER 82 HN SER 82 1.394 -4.603 -12.020 625 HA SER 82 HA SER 82 1.322 -7.036 -13.698 626 HB2 SER 82 HB2 SER 82 -0.958 -5.190 -12.880 627 HB3 SER 82 HB1 SER 82 -1.124 -6.683 -13.815 628 HG SER 82 HG SER 82 -0.201 -6.415 -11.141 629 H HIS 83 HN HIS 83 1.831 -3.611 -14.083 630 HA HIS 83 HA HIS 83 0.483 -3.341 -16.607 631 HB2 HIS 83 HB2 HIS 83 1.363 -1.144 -16.808 632 HB3 HIS 83 HB1 HIS 83 1.059 -1.379 -15.098 633 HD1 HIS 83 HD1 HIS 83 3.129 -1.426 -13.530 634 HD2 HIS 83 HD2 HIS 83 4.051 -0.726 -17.509 635 HE1 HIS 83 HE1 HIS 83 5.501 -0.607 -13.538 636 HE2 HIS 83 HE2 HIS 83 5.964 -0.004 -15.932 637 H282 PNS 84 H282 PNS 84 6.712 14.695 6.463 638 H281 PNS 84 H281 PNS 84 6.272 13.190 7.242 639 H303 PNS 84 H303 PNS 84 5.627 11.210 5.974 640 H302 PNS 84 H302 PNS 84 4.199 11.974 5.284 641 H301 PNS 84 H301 PNS 84 5.400 11.243 4.225 642 H313 PNS 84 H313 PNS 84 8.057 13.755 4.614 643 H312 PNS 84 H312 PNS 84 7.951 12.243 5.523 644 H311 PNS 84 H311 PNS 84 7.548 12.271 3.805 645 H32 PNS 84 H32 PNS 84 4.444 14.504 4.338 646 H33 PNS 84 H33 PNS 84 6.106 15.458 2.758 647 H36 PNS 84 H36 PNS 84 7.051 13.124 2.274 648 H372 PNS 84 H372 PNS 84 5.380 12.589 0.028 649 H371 PNS 84 H371 PNS 84 7.058 12.098 0.242 650 H382 PNS 84 H382 PNS 84 6.037 10.010 0.136 651 H381 PNS 84 H381 PNS 84 6.023 10.283 1.877 652 H41 PNS 84 H41 PNS 84 4.343 8.599 1.759 653 H422 PNS 84 H422 PNS 84 1.821 8.819 0.545 654 H421 PNS 84 H421 PNS 84 2.210 7.860 1.969 655 H431 PNS 84 H431 PNS 84 1.310 10.733 1.888 656 H432 PNS 84 H432 PNS 84 1.935 9.948 3.340 657 H44 PNS 84 H44 PNS 84 -0.538 9.534 4.008 Start of MODEL 6 1 H MET 1 HT1 MET 1 -8.658 -9.059 -4.728 2 HA MET 1 HA MET 1 -6.309 -8.424 -6.385 3 HB2 MET 1 HB2 MET 1 -7.417 -7.095 -3.887 4 HB3 MET 1 HB1 MET 1 -5.688 -7.032 -4.229 5 HG2 MET 1 HG2 MET 1 -6.886 -5.033 -5.031 6 HG3 MET 1 HG1 MET 1 -6.082 -5.922 -6.330 7 HE1 MET 1 HE1 MET 1 -7.366 -5.343 -8.487 8 HE2 MET 1 HE2 MET 1 -7.967 -3.985 -7.539 9 HE3 MET 1 HE3 MET 1 -9.082 -4.943 -8.508 10 H GLN 2 HN GLN 2 -4.478 -9.408 -5.828 11 HA GLN 2 HA GLN 2 -4.568 -11.537 -3.801 12 HB2 GLN 2 HB2 GLN 2 -2.432 -12.330 -4.981 13 HB3 GLN 2 HB1 GLN 2 -3.937 -12.501 -5.858 14 HG2 GLN 2 HG2 GLN 2 -2.393 -9.996 -6.408 15 HG3 GLN 2 HG1 GLN 2 -1.653 -11.498 -6.957 16 HE21 GLN 2 HE21 GLN 2 -4.254 -9.249 -7.457 17 HE22 GLN 2 HE22 GLN 2 -4.875 -9.968 -8.895 18 H HIS 3 HN HIS 3 -2.884 -8.569 -4.664 19 HA HIS 3 HA HIS 3 -0.564 -9.058 -3.078 20 HB2 HIS 3 HB2 HIS 3 -1.517 -6.570 -4.521 21 HB3 HIS 3 HB1 HIS 3 0.012 -6.649 -3.647 22 HD1 HIS 3 HD1 HIS 3 0.981 -9.427 -4.663 23 HD2 HIS 3 HD2 HIS 3 -0.591 -6.458 -7.081 24 HE1 HIS 3 HE1 HIS 3 1.918 -9.858 -6.947 25 HE2 HIS 3 HE2 HIS 3 0.777 -8.174 -8.431 26 H LEU 4 HN LEU 4 -3.671 -7.795 -2.277 27 HA LEU 4 HA LEU 4 -3.206 -5.827 -0.386 28 HB2 LEU 4 HB2 LEU 4 -5.392 -6.155 0.443 29 HB3 LEU 4 HB1 LEU 4 -5.481 -6.652 -1.235 30 HG LEU 4 HG LEU 4 -5.313 -8.570 1.135 31 HD11 LEU 4 HD11 LEU 4 -7.431 -7.356 1.169 32 HD12 LEU 4 HD12 LEU 4 -7.680 -9.050 0.756 33 HD13 LEU 4 HD13 LEU 4 -7.744 -7.818 -0.508 34 HD21 LEU 4 HD21 LEU 4 -5.944 -10.337 -0.467 35 HD22 LEU 4 HD22 LEU 4 -4.401 -9.598 -0.887 36 HD23 LEU 4 HD23 LEU 4 -5.856 -9.173 -1.793 37 H GLU 5 HN GLU 5 -2.823 -9.290 -0.027 38 HA GLU 5 HA GLU 5 -2.780 -9.358 2.824 39 HB2 GLU 5 HB2 GLU 5 -3.451 -11.318 1.531 40 HB3 GLU 5 HB1 GLU 5 -1.862 -11.413 0.779 41 HG2 GLU 5 HG2 GLU 5 -0.819 -12.028 2.860 42 HG3 GLU 5 HG1 GLU 5 -2.294 -11.686 3.769 43 H ALA 6 HN ALA 6 -0.256 -9.364 0.325 44 HA ALA 6 HA ALA 6 1.971 -9.424 2.108 45 HB1 ALA 6 HB1 ALA 6 3.314 -8.824 0.152 46 HB2 ALA 6 HB2 ALA 6 1.846 -8.452 -0.759 47 HB3 ALA 6 HB3 ALA 6 2.168 -10.108 -0.238 48 H VAL 7 HN VAL 7 -0.062 -6.860 0.830 49 HA VAL 7 HA VAL 7 1.572 -4.637 1.531 50 HB VAL 7 HB VAL 7 -1.467 -4.793 1.176 51 HG11 VAL 7 HG11 VAL 7 -0.860 -2.859 2.588 52 HG12 VAL 7 HG12 VAL 7 -1.433 -2.330 1.013 53 HG13 VAL 7 HG13 VAL 7 0.296 -2.309 1.371 54 HG21 VAL 7 HG21 VAL 7 -0.279 -5.294 -0.911 55 HG22 VAL 7 HG22 VAL 7 0.700 -3.835 -0.747 56 HG23 VAL 7 HG23 VAL 7 -1.040 -3.703 -1.027 57 H ARG 8 HN ARG 8 -1.159 -6.274 3.207 58 HA ARG 8 HA ARG 8 -1.065 -4.592 5.531 59 HB2 ARG 8 HB2 ARG 8 -2.609 -6.168 6.596 60 HB3 ARG 8 HB1 ARG 8 -3.139 -5.784 4.966 61 HG2 ARG 8 HG2 ARG 8 -2.203 -7.960 4.190 62 HG3 ARG 8 HG1 ARG 8 -1.783 -8.343 5.864 63 HD2 ARG 8 HD2 ARG 8 -4.148 -8.303 6.490 64 HD3 ARG 8 HD1 ARG 8 -4.602 -7.782 4.863 65 HE ARG 8 HE ARG 8 -3.150 -10.278 4.922 66 HH11 ARG 8 HH11 ARG 8 -6.379 -8.930 5.321 67 HH12 ARG 8 HH12 ARG 8 -7.172 -10.354 4.734 68 HH21 ARG 8 HH21 ARG 8 -4.224 -12.143 4.181 69 HH22 ARG 8 HH22 ARG 8 -5.952 -12.158 4.069 70 H ASN 9 HN ASN 9 0.566 -7.530 4.534 71 HA ASN 9 HA ASN 9 1.665 -8.354 6.979 72 HB2 ASN 9 HB2 ASN 9 1.809 -9.790 5.015 73 HB3 ASN 9 HB1 ASN 9 2.717 -8.573 4.125 74 HD21 ASN 9 HD21 ASN 9 4.492 -9.846 3.723 75 HD22 ASN 9 HD22 ASN 9 5.561 -10.425 4.945 76 H ILE 10 HN ILE 10 2.934 -6.207 4.438 77 HA ILE 10 HA ILE 10 5.355 -5.474 5.683 78 HB ILE 10 HB ILE 10 3.728 -4.105 3.498 79 HG12 ILE 10 HG12 ILE 10 6.324 -5.726 3.330 80 HG13 ILE 10 HG11 ILE 10 4.724 -6.346 2.938 81 HG21 ILE 10 HG21 ILE 10 6.510 -3.351 4.478 82 HG22 ILE 10 HG22 ILE 10 5.053 -2.363 4.578 83 HG23 ILE 10 HG23 ILE 10 5.756 -2.727 3.004 84 HD11 ILE 10 HD11 ILE 10 6.162 -4.125 1.497 85 HD12 ILE 10 HD12 ILE 10 4.554 -4.739 1.100 86 HD13 ILE 10 HD13 ILE 10 5.964 -5.786 0.943 87 H LEU 11 HN LEU 11 2.264 -3.648 5.447 88 HA LEU 11 HA LEU 11 3.204 -1.416 6.903 89 HB2 LEU 11 HB2 LEU 11 0.453 -2.302 6.016 90 HB3 LEU 11 HB1 LEU 11 0.607 -0.957 7.134 91 HG LEU 11 HG LEU 11 2.034 0.249 5.458 92 HD11 LEU 11 HD11 LEU 11 1.314 -1.990 3.547 93 HD12 LEU 11 HD12 LEU 11 2.923 -1.637 4.183 94 HD13 LEU 11 HD13 LEU 11 2.125 -0.477 3.125 95 HD21 LEU 11 HD21 LEU 11 0.214 0.902 3.945 96 HD22 LEU 11 HD22 LEU 11 -0.364 0.744 5.601 97 HD23 LEU 11 HD23 LEU 11 -0.711 -0.525 4.424 98 H GLY 12 HN GLY 12 1.511 -4.361 7.948 99 HA2 GLY 12 HA2 GLY 12 1.230 -3.496 10.684 100 HA3 GLY 12 HA1 GLY 12 0.976 -5.107 10.049 101 H ASP 13 HN ASP 13 3.797 -5.009 8.842 102 HA ASP 13 HA ASP 13 5.299 -6.009 11.096 103 HB2 ASP 13 HB2 ASP 13 5.651 -6.926 8.832 104 HB3 ASP 13 HB1 ASP 13 6.105 -5.345 8.224 105 H VAL 14 HN VAL 14 5.412 -3.124 9.053 106 HA VAL 14 HA VAL 14 7.670 -1.879 10.259 107 HB VAL 14 HB VAL 14 5.511 -0.786 8.398 108 HG11 VAL 14 HG11 VAL 14 7.048 1.117 7.941 109 HG12 VAL 14 HG12 VAL 14 8.112 0.548 9.231 110 HG13 VAL 14 HG13 VAL 14 6.481 1.096 9.612 111 HG21 VAL 14 HG21 VAL 14 7.233 -1.012 6.629 112 HG22 VAL 14 HG22 VAL 14 6.888 -2.566 7.389 113 HG23 VAL 14 HG23 VAL 14 8.361 -1.691 7.808 114 H LEU 15 HN LEU 15 4.157 -1.241 10.446 115 HA LEU 15 HA LEU 15 4.413 0.816 12.469 116 HB2 LEU 15 HB2 LEU 15 2.088 -0.556 11.118 117 HB3 LEU 15 HB1 LEU 15 1.804 0.454 12.516 118 HG LEU 15 HG LEU 15 2.367 2.447 11.365 119 HD11 LEU 15 HD11 LEU 15 3.537 0.818 9.101 120 HD12 LEU 15 HD12 LEU 15 4.436 1.779 10.276 121 HD13 LEU 15 HD13 LEU 15 3.361 2.576 9.134 122 HD21 LEU 15 HD21 LEU 15 0.911 0.671 9.376 123 HD22 LEU 15 HD22 LEU 15 0.903 2.436 9.383 124 HD23 LEU 15 HD23 LEU 15 0.180 1.550 10.723 125 H ASN 16 HN ASN 16 4.421 -2.567 12.547 126 HA ASN 16 HA ASN 16 4.625 -4.088 14.179 127 HB2 ASN 16 HB2 ASN 16 6.109 -2.328 15.201 128 HB3 ASN 16 HB1 ASN 16 4.734 -1.749 16.132 129 HD21 ASN 16 HD21 ASN 16 5.575 -5.152 15.502 130 HD22 ASN 16 HD22 ASN 16 5.898 -5.549 17.148 131 H LEU 17 HN LEU 17 2.120 -3.628 13.229 132 HA LEU 17 HA LEU 17 0.070 -3.655 15.229 133 HB2 LEU 17 HB2 LEU 17 0.204 -4.354 12.294 134 HB3 LEU 17 HB1 LEU 17 -1.205 -4.857 13.203 135 HG LEU 17 HG LEU 17 -1.845 -2.569 13.663 136 HD11 LEU 17 HD11 LEU 17 -0.569 -0.623 12.853 137 HD12 LEU 17 HD12 LEU 17 0.741 -1.696 12.361 138 HD13 LEU 17 HD13 LEU 17 0.312 -1.547 14.064 139 HD21 LEU 17 HD21 LEU 17 -2.523 -3.449 11.463 140 HD22 LEU 17 HD22 LEU 17 -1.046 -2.809 10.736 141 HD23 LEU 17 HD23 LEU 17 -2.260 -1.706 11.392 142 H GLY 18 HN GLY 18 2.082 -6.100 13.692 143 HA2 GLY 18 HA2 GLY 18 2.535 -8.273 14.205 144 HA3 GLY 18 HA1 GLY 18 1.675 -8.047 15.721 145 H GLU 19 HN GLU 19 -0.527 -8.537 15.823 146 HA GLU 19 HA GLU 19 -1.448 -10.534 13.860 147 HB2 GLU 19 HB2 GLU 19 -1.252 -11.077 16.319 148 HB3 GLU 19 HB1 GLU 19 -2.508 -9.888 16.640 149 HG2 GLU 19 HG2 GLU 19 -4.098 -11.214 15.282 150 HG3 GLU 19 HG1 GLU 19 -2.837 -12.413 14.989 151 H ARG 20 HN ARG 20 -2.091 -7.327 14.965 152 HA ARG 20 HA ARG 20 -4.841 -7.057 14.389 153 HB2 ARG 20 HB2 ARG 20 -3.356 -5.471 15.743 154 HB3 ARG 20 HB1 ARG 20 -2.756 -4.838 14.224 155 HG2 ARG 20 HG2 ARG 20 -5.703 -4.774 14.934 156 HG3 ARG 20 HG1 ARG 20 -4.593 -3.514 15.461 157 HD2 ARG 20 HD2 ARG 20 -4.067 -2.987 13.120 158 HD3 ARG 20 HD1 ARG 20 -5.157 -4.261 12.571 159 HE ARG 20 HE ARG 20 -5.964 -1.780 13.969 160 HH11 ARG 20 HH11 ARG 20 -6.825 -4.458 11.882 161 HH12 ARG 20 HH12 ARG 20 -8.364 -3.775 11.459 162 HH21 ARG 20 HH21 ARG 20 -7.955 -0.895 13.392 163 HH22 ARG 20 HH22 ARG 20 -9.002 -1.766 12.314 164 H LYS 21 HN LYS 21 -1.967 -6.872 12.362 165 HA LYS 21 HA LYS 21 -3.179 -5.843 9.999 166 HB2 LYS 21 HB2 LYS 21 -1.152 -6.457 8.842 167 HB3 LYS 21 HB1 LYS 21 -0.744 -5.737 10.398 168 HG2 LYS 21 HG2 LYS 21 -0.260 -7.891 11.343 169 HG3 LYS 21 HG1 LYS 21 -0.854 -8.722 9.905 170 HD2 LYS 21 HD2 LYS 21 1.024 -7.516 8.639 171 HD3 LYS 21 HD1 LYS 21 1.659 -7.061 10.224 172 HE2 LYS 21 HE2 LYS 21 1.740 -9.474 10.824 173 HE3 LYS 21 HE1 LYS 21 1.211 -9.861 9.187 174 HZ1 LYS 21 HZ1 LYS 21 3.588 -10.070 9.350 175 HZ2 LYS 21 HZ2 LYS 21 3.739 -8.499 9.948 176 HZ3 LYS 21 HZ3 LYS 21 3.226 -8.750 8.357 177 H HIS 22 HN HIS 22 -2.915 -9.049 11.349 178 HA HIS 22 HA HIS 22 -3.567 -10.507 8.946 179 HB2 HIS 22 HB2 HIS 22 -2.248 -11.587 10.705 180 HB3 HIS 22 HB1 HIS 22 -3.526 -11.345 11.885 181 HD1 HIS 22 HD1 HIS 22 -2.753 -13.382 8.789 182 HD2 HIS 22 HD2 HIS 22 -5.458 -13.351 11.944 183 HE1 HIS 22 HE1 HIS 22 -4.013 -15.543 8.612 184 HE2 HIS 22 HE2 HIS 22 -5.740 -15.427 10.438 185 H THR 23 HN THR 23 -5.322 -9.282 11.751 186 HA THR 23 HA THR 23 -7.794 -10.671 11.055 187 HB THR 23 HB THR 23 -7.038 -10.548 13.427 188 HG1 THR 23 HG1 THR 23 -9.516 -10.039 12.512 189 HG21 THR 23 HG21 THR 23 -7.723 -7.594 13.264 190 HG22 THR 23 HG22 THR 23 -6.094 -8.257 13.420 191 HG23 THR 23 HG23 THR 23 -7.266 -8.482 14.720 192 H LEU 24 HN LEU 24 -6.520 -8.106 9.607 193 HA LEU 24 HA LEU 24 -9.151 -6.791 9.251 194 HB2 LEU 24 HB2 LEU 24 -7.946 -4.803 8.390 195 HB3 LEU 24 HB1 LEU 24 -7.630 -5.155 10.065 196 HG LEU 24 HG LEU 24 -5.387 -6.157 9.301 197 HD11 LEU 24 HD11 LEU 24 -5.803 -6.427 6.925 198 HD12 LEU 24 HD12 LEU 24 -4.451 -5.328 7.185 199 HD13 LEU 24 HD13 LEU 24 -6.035 -4.685 6.736 200 HD21 LEU 24 HD21 LEU 24 -5.816 -3.178 8.901 201 HD22 LEU 24 HD22 LEU 24 -4.274 -3.971 9.233 202 HD23 LEU 24 HD23 LEU 24 -5.549 -3.987 10.446 203 H THR 25 HN THR 25 -9.551 -5.939 7.059 204 HA THR 25 HA THR 25 -8.703 -7.831 4.927 205 HB THR 25 HB THR 25 -11.089 -7.526 4.032 206 HG1 THR 25 HG1 THR 25 -11.686 -6.616 6.666 207 HG21 THR 25 HG21 THR 25 -12.155 -9.130 5.574 208 HG22 THR 25 HG22 THR 25 -10.884 -8.849 6.764 209 HG23 THR 25 HG23 THR 25 -10.494 -9.610 5.221 210 H ALA 26 HN ALA 26 -9.823 -6.727 2.727 211 HA ALA 26 HA ALA 26 -8.176 -4.545 2.059 212 HB1 ALA 26 HB1 ALA 26 -9.401 -4.474 -0.062 213 HB2 ALA 26 HB2 ALA 26 -10.665 -5.504 0.618 214 HB3 ALA 26 HB3 ALA 26 -9.036 -6.137 0.394 215 H SER 27 HN SER 27 -11.312 -4.576 3.559 216 HA SER 27 HA SER 27 -12.002 -1.838 2.836 217 HB2 SER 27 HB2 SER 27 -13.403 -3.831 4.662 218 HB3 SER 27 HB1 SER 27 -14.057 -2.263 4.172 219 HG SER 27 HG SER 27 -13.685 -3.142 1.936 220 H SER 28 HN SER 28 -9.830 -3.028 5.041 221 HA SER 28 HA SER 28 -10.508 -1.537 7.401 222 HB2 SER 28 HB2 SER 28 -8.272 -2.164 8.214 223 HB3 SER 28 HB1 SER 28 -9.072 -3.560 7.493 224 HG SER 28 HG SER 28 -7.470 -3.692 6.163 225 H VAL 29 HN VAL 29 -10.156 0.570 7.799 226 HA VAL 29 HA VAL 29 -8.827 2.295 5.891 227 HB VAL 29 HB VAL 29 -10.002 2.964 8.638 228 HG11 VAL 29 HG11 VAL 29 -10.071 5.313 7.855 229 HG12 VAL 29 HG12 VAL 29 -9.274 4.843 6.351 230 HG13 VAL 29 HG13 VAL 29 -8.417 4.696 7.887 231 HG21 VAL 29 HG21 VAL 29 -11.718 2.027 7.166 232 HG22 VAL 29 HG22 VAL 29 -11.300 3.182 5.895 233 HG23 VAL 29 HG23 VAL 29 -12.000 3.751 7.414 234 H LEU 30 HN LEU 30 -6.796 3.189 6.160 235 HA LEU 30 HA LEU 30 -5.143 2.048 8.345 236 HB2 LEU 30 HB2 LEU 30 -4.233 3.003 5.606 237 HB3 LEU 30 HB1 LEU 30 -3.235 2.220 6.825 238 HG LEU 30 HG LEU 30 -5.534 0.926 5.301 239 HD11 LEU 30 HD11 LEU 30 -3.527 1.289 3.943 240 HD12 LEU 30 HD12 LEU 30 -3.828 -0.427 4.223 241 HD13 LEU 30 HD13 LEU 30 -2.563 0.404 5.130 242 HD21 LEU 30 HD21 LEU 30 -3.708 -0.336 7.387 243 HD22 LEU 30 HD22 LEU 30 -4.882 -1.199 6.390 244 HD23 LEU 30 HD23 LEU 30 -5.436 -0.016 7.572 245 H LEU 31 HN LEU 31 -4.747 4.855 6.152 246 HA LEU 31 HA LEU 31 -3.520 6.525 8.028 247 HB2 LEU 31 HB2 LEU 31 -3.664 6.676 5.422 248 HB3 LEU 31 HB1 LEU 31 -5.142 7.576 5.681 249 HG LEU 31 HG LEU 31 -2.468 8.444 6.846 250 HD11 LEU 31 HD11 LEU 31 -2.234 10.023 4.994 251 HD12 LEU 31 HD12 LEU 31 -3.660 9.334 4.216 252 HD13 LEU 31 HD13 LEU 31 -2.210 8.353 4.431 253 HD21 LEU 31 HD21 LEU 31 -5.017 10.034 6.374 254 HD22 LEU 31 HD22 LEU 31 -3.501 10.676 7.019 255 HD23 LEU 31 HD23 LEU 31 -4.414 9.484 7.942 256 H GLY 32 HN GLY 32 -4.360 7.367 9.813 257 HA2 GLY 32 HA2 GLY 32 -5.777 8.837 10.994 258 HA3 GLY 32 HA1 GLY 32 -7.090 8.477 9.887 259 H ASN 33 HN ASN 33 -6.643 5.556 10.089 260 HA ASN 33 HA ASN 33 -8.269 5.144 12.486 261 HB2 ASN 33 HB2 ASN 33 -9.100 4.284 10.355 262 HB3 ASN 33 HB1 ASN 33 -7.634 3.342 10.125 263 HD21 ASN 33 HD21 ASN 33 -7.519 1.318 11.020 264 HD22 ASN 33 HD22 ASN 33 -8.756 0.611 12.002 265 H ILE 34 HN ILE 34 -5.261 3.851 11.050 266 HA ILE 34 HA ILE 34 -4.610 2.264 13.378 267 HB ILE 34 HB ILE 34 -2.732 3.010 11.088 268 HG12 ILE 34 HG12 ILE 34 -4.727 1.870 10.147 269 HG13 ILE 34 HG11 ILE 34 -3.312 0.836 10.029 270 HG21 ILE 34 HG21 ILE 34 -1.538 2.181 13.033 271 HG22 ILE 34 HG22 ILE 34 -1.489 0.958 11.764 272 HG23 ILE 34 HG23 ILE 34 -2.591 0.768 13.133 273 HD11 ILE 34 HD11 ILE 34 -5.556 0.580 12.036 274 HD12 ILE 34 HD12 ILE 34 -4.123 -0.448 11.980 275 HD13 ILE 34 HD13 ILE 34 -5.264 -0.451 10.637 276 HA PRO 35 HA PRO 35 -3.022 5.959 15.463 277 HB2 PRO 35 HB2 PRO 35 -2.188 4.776 17.789 278 HB3 PRO 35 HB1 PRO 35 -3.899 5.013 17.407 279 HG2 PRO 35 HG2 PRO 35 -2.211 2.532 17.079 280 HG3 PRO 35 HG1 PRO 35 -3.842 2.693 17.772 281 HD2 PRO 35 HD2 PRO 35 -3.419 1.859 15.218 282 HD3 PRO 35 HD1 PRO 35 -4.854 2.795 15.676 283 H GLU 36 HN GLU 36 -1.127 3.293 14.381 284 HA GLU 36 HA GLU 36 1.428 4.325 15.397 285 HB2 GLU 36 HB2 GLU 36 0.922 1.815 13.751 286 HB3 GLU 36 HB1 GLU 36 2.351 2.195 14.706 287 HG2 GLU 36 HG2 GLU 36 -0.418 1.539 15.757 288 HG3 GLU 36 HG1 GLU 36 0.999 0.496 15.801 289 H LEU 37 HN LEU 37 -0.531 4.673 12.676 290 HA LEU 37 HA LEU 37 1.578 4.758 10.666 291 HB2 LEU 37 HB2 LEU 37 -0.813 3.885 10.289 292 HB3 LEU 37 HB1 LEU 37 -1.340 5.557 10.292 293 HG LEU 37 HG LEU 37 0.800 4.621 8.345 294 HD11 LEU 37 HD11 LEU 37 -1.071 3.069 8.054 295 HD12 LEU 37 HD12 LEU 37 -0.880 4.121 6.654 296 HD13 LEU 37 HD13 LEU 37 -2.177 4.425 7.819 297 HD21 LEU 37 HD21 LEU 37 0.448 7.044 8.533 298 HD22 LEU 37 HD22 LEU 37 -1.259 6.839 8.114 299 HD23 LEU 37 HD23 LEU 37 0.001 6.443 6.937 300 H ASP 38 HN ASP 38 2.894 6.396 11.445 301 HA ASP 38 HA ASP 38 1.925 9.170 11.646 302 HB2 ASP 38 HB2 ASP 38 3.255 8.182 13.543 303 HB3 ASP 38 HB1 ASP 38 4.575 7.842 12.436 304 H SER 39 HN SER 39 3.612 10.771 10.709 305 HA SER 39 HA SER 39 3.924 10.771 8.024 306 HB2 SER 39 HB2 SER 39 5.519 12.078 10.230 307 HB3 SER 39 HB1 SER 39 6.004 12.305 8.550 308 H MET 40 HN MET 40 6.715 9.941 10.176 309 HA MET 40 HA MET 40 8.261 9.107 7.902 310 HB2 MET 40 HB2 MET 40 8.827 8.870 10.872 311 HB3 MET 40 HB1 MET 40 9.963 8.396 9.606 312 HG2 MET 40 HG2 MET 40 8.870 11.188 10.080 313 HG3 MET 40 HG1 MET 40 10.507 10.628 10.423 314 HE1 MET 40 HE1 MET 40 11.810 9.977 6.706 315 HE2 MET 40 HE2 MET 40 11.009 8.793 7.738 316 HE3 MET 40 HE3 MET 40 12.236 9.866 8.413 317 H ALA 41 HN ALA 41 6.042 7.489 9.964 318 HA ALA 41 HA ALA 41 6.776 4.798 9.382 319 HB1 ALA 41 HB1 ALA 41 5.277 5.394 11.249 320 HB2 ALA 41 HB2 ALA 41 4.535 4.210 10.174 321 HB3 ALA 41 HB3 ALA 41 4.039 5.901 10.100 322 H VAL 42 HN VAL 42 4.720 7.194 7.621 323 HA VAL 42 HA VAL 42 3.780 5.330 5.660 324 HB VAL 42 HB VAL 42 2.915 7.078 4.345 325 HG11 VAL 42 HG11 VAL 42 1.789 8.646 5.850 326 HG12 VAL 42 HG12 VAL 42 2.917 8.230 7.141 327 HG13 VAL 42 HG13 VAL 42 1.811 7.010 6.512 328 HG21 VAL 42 HG21 VAL 42 4.896 9.059 5.528 329 HG22 VAL 42 HG22 VAL 42 3.601 9.472 4.414 330 HG23 VAL 42 HG23 VAL 42 4.907 8.411 3.892 331 H VAL 43 HN VAL 43 6.627 7.436 5.909 332 HA VAL 43 HA VAL 43 7.690 7.001 3.304 333 HB VAL 43 HB VAL 43 9.319 7.578 5.825 334 HG11 VAL 43 HG11 VAL 43 10.908 8.689 4.298 335 HG12 VAL 43 HG12 VAL 43 9.907 8.255 2.911 336 HG13 VAL 43 HG13 VAL 43 10.696 6.993 3.860 337 HG21 VAL 43 HG21 VAL 43 7.458 9.166 5.691 338 HG22 VAL 43 HG22 VAL 43 7.892 9.583 4.031 339 HG23 VAL 43 HG23 VAL 43 8.987 9.983 5.360 340 H ASN 44 HN ASN 44 8.151 5.416 6.382 341 HA ASN 44 HA ASN 44 10.185 3.613 5.676 342 HB2 ASN 44 HB2 ASN 44 9.445 4.418 8.006 343 HB3 ASN 44 HB1 ASN 44 8.162 3.215 7.899 344 HD21 ASN 44 HD21 ASN 44 9.139 2.355 9.842 345 HD22 ASN 44 HD22 ASN 44 10.496 1.303 9.718 346 H VAL 45 HN VAL 45 6.617 3.215 5.683 347 HA VAL 45 HA VAL 45 6.707 0.448 4.938 348 HB VAL 45 HB VAL 45 4.307 0.599 4.351 349 HG11 VAL 45 HG11 VAL 45 3.439 1.152 6.599 350 HG12 VAL 45 HG12 VAL 45 4.993 1.885 7.007 351 HG13 VAL 45 HG13 VAL 45 4.894 0.158 6.661 352 HG21 VAL 45 HG21 VAL 45 3.028 2.688 4.709 353 HG22 VAL 45 HG22 VAL 45 4.206 2.859 3.406 354 HG23 VAL 45 HG23 VAL 45 4.541 3.557 4.990 355 H ILE 46 HN ILE 46 6.522 3.493 3.038 356 HA ILE 46 HA ILE 46 6.015 2.294 0.504 357 HB ILE 46 HB ILE 46 7.485 4.904 1.124 358 HG12 ILE 46 HG12 ILE 46 4.595 4.454 0.204 359 HG13 ILE 46 HG11 ILE 46 5.076 4.806 1.857 360 HG21 ILE 46 HG21 ILE 46 8.107 4.115 -1.134 361 HG22 ILE 46 HG22 ILE 46 7.090 5.550 -1.241 362 HG23 ILE 46 HG23 ILE 46 6.402 3.957 -1.568 363 HD11 ILE 46 HD11 ILE 46 4.197 6.768 0.756 364 HD12 ILE 46 HD12 ILE 46 5.418 6.643 -0.509 365 HD13 ILE 46 HD13 ILE 46 5.898 6.998 1.153 366 H THR 47 HN THR 47 9.017 3.112 2.184 367 HA THR 47 HA THR 47 10.917 2.240 0.312 368 HB THR 47 HB THR 47 11.095 2.157 3.361 369 HG1 THR 47 HG1 THR 47 10.698 4.228 2.064 370 HG21 THR 47 HG21 THR 47 13.554 2.251 3.054 371 HG22 THR 47 HG22 THR 47 13.351 2.177 1.303 372 HG23 THR 47 HG23 THR 47 12.897 0.795 2.302 373 H ALA 48 HN ALA 48 9.284 0.503 2.949 374 HA ALA 48 HA ALA 48 10.453 -2.033 2.589 375 HB1 ALA 48 HB1 ALA 48 8.618 -2.858 3.990 376 HB2 ALA 48 HB2 ALA 48 7.745 -1.344 3.751 377 HB3 ALA 48 HB3 ALA 48 9.271 -1.343 4.632 378 H LEU 49 HN LEU 49 7.592 -0.566 1.065 379 HA LEU 49 HA LEU 49 6.589 -2.802 -0.329 380 HB2 LEU 49 HB2 LEU 49 6.262 0.169 -0.545 381 HB3 LEU 49 HB1 LEU 49 5.917 -0.713 -2.012 382 HG LEU 49 HG LEU 49 3.842 -0.297 -0.838 383 HD11 LEU 49 HD11 LEU 49 4.567 -3.227 -0.579 384 HD12 LEU 49 HD12 LEU 49 3.990 -2.415 -2.037 385 HD13 LEU 49 HD13 LEU 49 2.932 -2.552 -0.636 386 HD21 LEU 49 HD21 LEU 49 5.009 -1.741 1.553 387 HD22 LEU 49 HD22 LEU 49 3.342 -1.179 1.392 388 HD23 LEU 49 HD23 LEU 49 4.662 -0.015 1.434 389 H GLU 50 HN GLU 50 9.040 -0.375 -1.195 390 HA GLU 50 HA GLU 50 9.797 -1.239 -3.758 391 HB2 GLU 50 HB2 GLU 50 11.724 -0.213 -1.621 392 HB3 GLU 50 HB1 GLU 50 11.969 -0.168 -3.360 393 HG2 GLU 50 HG2 GLU 50 9.821 1.377 -1.891 394 HG3 GLU 50 HG1 GLU 50 11.401 2.027 -2.321 395 H GLU 51 HN GLU 51 11.029 -2.235 -0.554 396 HA GLU 51 HA GLU 51 13.135 -3.892 -1.392 397 HB2 GLU 51 HB2 GLU 51 11.546 -4.351 1.169 398 HB3 GLU 51 HB1 GLU 51 13.229 -4.757 0.865 399 HG2 GLU 51 HG2 GLU 51 12.051 -1.997 1.229 400 HG3 GLU 51 HG1 GLU 51 13.077 -2.864 2.360 401 H TYR 52 HN TYR 52 9.746 -4.702 -0.679 402 HA TYR 52 HA TYR 52 10.199 -7.562 -0.951 403 HB2 TYR 52 HB2 TYR 52 7.711 -5.929 -0.357 404 HB3 TYR 52 HB1 TYR 52 7.665 -7.680 -0.563 405 HD1 TYR 52 HD2 TYR 52 9.579 -5.102 1.417 406 HD2 TYR 52 HD1 TYR 52 7.863 -8.999 1.387 407 HE1 TYR 52 HE2 TYR 52 10.199 -5.374 3.764 408 HE2 TYR 52 HE1 TYR 52 8.497 -9.281 3.740 409 HH TYR 52 HH TYR 52 9.561 -6.677 5.687 410 H PHE 53 HN PHE 53 8.188 -5.169 -2.798 411 HA PHE 53 HA PHE 53 7.456 -7.250 -4.705 412 HB2 PHE 53 HB2 PHE 53 6.694 -4.325 -4.483 413 HB3 PHE 53 HB1 PHE 53 6.144 -5.362 -5.791 414 HD1 PHE 53 HD2 PHE 53 5.962 -4.855 -2.089 415 HD2 PHE 53 HD1 PHE 53 4.265 -6.825 -5.485 416 HE1 PHE 53 HE2 PHE 53 4.002 -5.512 -0.748 417 HE2 PHE 53 HE1 PHE 53 2.323 -7.474 -4.134 418 HZ PHE 53 HZ PHE 53 2.182 -6.818 -1.767 419 H ASP 54 HN ASP 54 9.903 -4.837 -4.483 420 HA ASP 54 HA ASP 54 11.522 -4.032 -5.822 421 HB2 ASP 54 HB2 ASP 54 10.981 -6.626 -7.316 422 HB3 ASP 54 HB1 ASP 54 12.284 -5.534 -7.774 423 H PHE 55 HN PHE 55 9.490 -2.579 -6.144 424 HA PHE 55 HA PHE 55 9.541 -1.861 -9.021 425 HB2 PHE 55 HB2 PHE 55 7.223 -0.888 -8.727 426 HB3 PHE 55 HB1 PHE 55 7.293 -2.641 -8.652 427 HD1 PHE 55 HD1 PHE 55 7.935 -0.151 -5.865 428 HD2 PHE 55 HD2 PHE 55 5.372 -3.181 -7.417 429 HE1 PHE 55 HE1 PHE 55 6.610 -0.081 -3.828 430 HE2 PHE 55 HE2 PHE 55 4.037 -3.093 -5.365 431 HZ PHE 55 HZ PHE 55 4.656 -1.532 -3.563 432 H SER 56 HN SER 56 8.705 0.620 -9.093 433 HA SER 56 HA SER 56 9.696 2.096 -6.705 434 HB2 SER 56 HB2 SER 56 9.864 2.932 -9.638 435 HB3 SER 56 HB1 SER 56 10.344 3.931 -8.260 436 HG SER 56 HG SER 56 11.632 1.794 -7.809 437 H VAL 57 HN VAL 57 7.922 2.780 -5.610 438 HA VAL 57 HA VAL 57 5.412 3.490 -6.781 439 HB VAL 57 HB VAL 57 6.502 4.298 -4.031 440 HG11 VAL 57 HG11 VAL 57 4.131 4.621 -3.395 441 HG12 VAL 57 HG12 VAL 57 3.636 4.255 -5.051 442 HG13 VAL 57 HG13 VAL 57 4.599 5.693 -4.716 443 HG21 VAL 57 HG21 VAL 57 5.222 2.395 -3.120 444 HG22 VAL 57 HG22 VAL 57 6.469 1.862 -4.247 445 HG23 VAL 57 HG23 VAL 57 4.781 1.902 -4.761 446 H ASP 58 HN ASP 58 5.133 5.226 -8.025 447 HA ASP 58 HA ASP 58 7.114 7.328 -8.226 448 HB2 ASP 58 HB2 ASP 58 6.072 6.372 -10.238 449 HB3 ASP 58 HB1 ASP 58 4.478 6.899 -9.695 450 H ASP 59 HN ASP 59 6.718 9.596 -7.966 451 HA ASP 59 HA ASP 59 5.407 10.358 -5.616 452 HB2 ASP 59 HB2 ASP 59 7.344 11.552 -6.597 453 HB3 ASP 59 HB1 ASP 59 6.342 12.110 -7.932 454 H ASP 60 HN ASP 60 4.210 10.305 -8.930 455 HA ASP 60 HA ASP 60 2.091 12.206 -8.600 456 HB2 ASP 60 HB2 ASP 60 3.162 11.709 -10.803 457 HB3 ASP 60 HB1 ASP 60 2.455 10.096 -10.775 458 H GLU 61 HN GLU 61 2.348 8.739 -8.153 459 HA GLU 61 HA GLU 61 -0.555 8.322 -8.046 460 HB2 GLU 61 HB2 GLU 61 -0.033 5.939 -7.722 461 HB3 GLU 61 HB1 GLU 61 0.826 6.586 -9.116 462 HG2 GLU 61 HG2 GLU 61 2.859 6.826 -7.648 463 HG3 GLU 61 HG1 GLU 61 1.976 5.977 -6.384 464 H ILE 62 HN ILE 62 2.063 8.978 -5.892 465 HA ILE 62 HA ILE 62 0.896 8.004 -3.462 466 HB ILE 62 HB ILE 62 3.072 10.100 -3.920 467 HG12 ILE 62 HG12 ILE 62 3.277 7.164 -3.094 468 HG13 ILE 62 HG11 ILE 62 3.721 7.829 -4.661 469 HG21 ILE 62 HG21 ILE 62 3.637 9.858 -1.524 470 HG22 ILE 62 HG22 ILE 62 2.257 8.784 -1.300 471 HG23 ILE 62 HG23 ILE 62 1.999 10.472 -1.735 472 HD11 ILE 62 HD11 ILE 62 5.063 8.476 -2.033 473 HD12 ILE 62 HD12 ILE 62 5.525 9.102 -3.623 474 HD13 ILE 62 HD13 ILE 62 5.665 7.379 -3.277 475 H SER 63 HN SER 63 -0.872 8.848 -2.535 476 HA SER 63 HA SER 63 -0.880 11.693 -1.862 477 HB2 SER 63 HB2 SER 63 -3.325 11.831 -2.310 478 HB3 SER 63 HB1 SER 63 -2.446 11.438 -3.787 479 HG SER 63 HG SER 63 -3.008 9.223 -3.400 480 H ALA 64 HN ALA 64 -2.589 12.036 -0.053 481 HA ALA 64 HA ALA 64 -2.366 10.264 2.127 482 HB1 ALA 64 HB1 ALA 64 -4.183 11.569 3.169 483 HB2 ALA 64 HB2 ALA 64 -4.539 12.327 1.612 484 HB3 ALA 64 HB3 ALA 64 -2.996 12.631 2.411 485 H GLN 65 HN GLN 65 -4.625 10.498 -0.499 486 HA GLN 65 HA GLN 65 -6.596 8.671 0.561 487 HB2 GLN 65 HB2 GLN 65 -6.468 9.696 -2.302 488 HB3 GLN 65 HB1 GLN 65 -7.887 9.163 -1.397 489 HG2 GLN 65 HG2 GLN 65 -6.279 11.703 -0.969 490 HG3 GLN 65 HG1 GLN 65 -7.928 11.579 -1.576 491 HE21 GLN 65 HE21 GLN 65 -6.589 12.877 0.861 492 HE22 GLN 65 HE22 GLN 65 -7.617 12.420 2.174 493 H THR 66 HN THR 66 -3.608 8.265 -1.037 494 HA THR 66 HA THR 66 -4.087 5.738 -2.296 495 HB THR 66 HB THR 66 -1.518 6.964 -1.187 496 HG1 THR 66 HG1 THR 66 -1.958 6.832 -3.922 497 HG21 THR 66 HG21 THR 66 -1.196 4.535 -1.493 498 HG22 THR 66 HG22 THR 66 -0.311 5.429 -2.729 499 HG23 THR 66 HG23 THR 66 -1.836 4.643 -3.133 500 H PHE 67 HN PHE 67 -3.198 6.832 0.979 501 HA PHE 67 HA PHE 67 -3.016 4.075 1.979 502 HB2 PHE 67 HB2 PHE 67 -2.242 6.732 3.226 503 HB3 PHE 67 HB1 PHE 67 -2.165 5.202 4.093 504 HD1 PHE 67 HD2 PHE 67 -0.842 6.968 1.065 505 HD2 PHE 67 HD1 PHE 67 -0.276 3.784 3.867 506 HE1 PHE 67 HE2 PHE 67 1.378 6.516 0.113 507 HE2 PHE 67 HE1 PHE 67 1.941 3.339 2.898 508 HZ PHE 67 HZ PHE 67 2.763 4.701 1.025 509 H GLU 68 HN GLU 68 -5.601 5.699 1.361 510 HA GLU 68 HA GLU 68 -6.899 6.242 3.813 511 HB2 GLU 68 HB2 GLU 68 -8.990 6.372 2.550 512 HB3 GLU 68 HB1 GLU 68 -7.701 7.182 1.667 513 HG2 GLU 68 HG2 GLU 68 -7.510 5.314 0.129 514 HG3 GLU 68 HG1 GLU 68 -8.665 4.375 1.068 515 H THR 69 HN THR 69 -6.957 3.318 1.745 516 HA THR 69 HA THR 69 -7.663 1.684 4.077 517 HB THR 69 HB THR 69 -9.815 2.247 2.925 518 HG1 THR 69 HG1 THR 69 -9.660 0.229 3.967 519 HG21 THR 69 HG21 THR 69 -8.709 0.702 0.553 520 HG22 THR 69 HG22 THR 69 -8.991 2.443 0.594 521 HG23 THR 69 HG23 THR 69 -10.353 1.330 0.719 522 H LEU 70 HN LEU 70 -7.341 -0.663 3.647 523 HA LEU 70 HA LEU 70 -4.794 -1.225 2.612 524 HB2 LEU 70 HB2 LEU 70 -5.913 -2.592 4.368 525 HB3 LEU 70 HB1 LEU 70 -7.071 -3.169 3.177 526 HG LEU 70 HG LEU 70 -5.120 -4.191 1.899 527 HD11 LEU 70 HD11 LEU 70 -2.995 -4.526 3.074 528 HD12 LEU 70 HD12 LEU 70 -3.563 -3.516 4.406 529 HD13 LEU 70 HD13 LEU 70 -3.323 -2.814 2.803 530 HD21 LEU 70 HD21 LEU 70 -5.600 -5.234 4.708 531 HD22 LEU 70 HD22 LEU 70 -4.878 -6.153 3.387 532 HD23 LEU 70 HD23 LEU 70 -6.550 -5.614 3.271 533 H GLY 71 HN GLY 71 -7.987 -1.527 1.240 534 HA2 GLY 71 HA2 GLY 71 -7.441 -3.051 -1.076 535 HA3 GLY 71 HA1 GLY 71 -8.802 -1.963 -0.855 536 H SER 72 HN SER 72 -7.195 0.407 -0.389 537 HA SER 72 HA SER 72 -6.803 1.303 -3.039 538 HB2 SER 72 HB2 SER 72 -5.977 2.539 -0.388 539 HB3 SER 72 HB1 SER 72 -5.829 3.361 -1.949 540 HG SER 72 HG SER 72 -7.828 3.902 -1.652 541 H LEU 73 HN LEU 73 -4.377 0.604 -0.426 542 HA LEU 73 HA LEU 73 -2.079 1.022 -2.011 543 HB2 LEU 73 HB2 LEU 73 -2.450 -0.818 0.385 544 HB3 LEU 73 HB1 LEU 73 -0.905 -0.582 -0.405 545 HG LEU 73 HG LEU 73 -0.878 0.754 1.548 546 HD11 LEU 73 HD11 LEU 73 -1.403 2.623 -0.780 547 HD12 LEU 73 HD12 LEU 73 0.131 1.836 -0.396 548 HD13 LEU 73 HD13 LEU 73 -0.550 3.021 0.714 549 HD21 LEU 73 HD21 LEU 73 -2.552 2.373 2.175 550 HD22 LEU 73 HD22 LEU 73 -3.303 0.796 1.964 551 HD23 LEU 73 HD23 LEU 73 -3.491 2.031 0.718 552 H ALA 74 HN ALA 74 -4.060 -1.870 -1.502 553 HA ALA 74 HA ALA 74 -2.568 -3.755 -2.917 554 HB1 ALA 74 HB1 ALA 74 -4.525 -4.321 -1.505 555 HB2 ALA 74 HB2 ALA 74 -4.612 -5.058 -3.106 556 HB3 ALA 74 HB3 ALA 74 -5.596 -3.633 -2.731 557 H LEU 75 HN LEU 75 -5.024 -1.440 -4.039 558 HA LEU 75 HA LEU 75 -5.213 -2.272 -6.728 559 HB2 LEU 75 HB2 LEU 75 -6.145 0.043 -5.141 560 HB3 LEU 75 HB1 LEU 75 -5.775 0.490 -6.788 561 HG LEU 75 HG LEU 75 -8.154 -0.012 -6.550 562 HD11 LEU 75 HD11 LEU 75 -8.420 -1.608 -8.383 563 HD12 LEU 75 HD12 LEU 75 -6.745 -2.132 -8.199 564 HD13 LEU 75 HD13 LEU 75 -7.106 -0.479 -8.709 565 HD21 LEU 75 HD21 LEU 75 -7.322 -2.803 -5.697 566 HD22 LEU 75 HD22 LEU 75 -8.973 -2.268 -6.026 567 HD23 LEU 75 HD23 LEU 75 -8.079 -1.576 -4.676 568 H PHE 76 HN PHE 76 -3.207 0.284 -5.222 569 HA PHE 76 HA PHE 76 -1.977 1.193 -7.602 570 HB2 PHE 76 HB2 PHE 76 -1.160 1.422 -4.683 571 HB3 PHE 76 HB1 PHE 76 -0.171 2.103 -5.972 572 HD1 PHE 76 HD2 PHE 76 -3.374 2.420 -4.164 573 HD2 PHE 76 HD1 PHE 76 -0.929 4.051 -7.252 574 HE1 PHE 76 HE2 PHE 76 -4.791 4.420 -4.213 575 HE2 PHE 76 HE1 PHE 76 -2.349 6.056 -7.301 576 HZ PHE 76 HZ PHE 76 -4.281 6.243 -5.784 577 H VAL 77 HN VAL 77 -0.866 -1.218 -5.183 578 HA VAL 77 HA VAL 77 1.582 -1.765 -6.553 579 HB VAL 77 HB VAL 77 1.985 -3.585 -4.997 580 HG11 VAL 77 HG11 VAL 77 1.871 -2.338 -2.849 581 HG12 VAL 77 HG12 VAL 77 0.782 -1.166 -3.592 582 HG13 VAL 77 HG13 VAL 77 2.437 -1.325 -4.178 583 HG21 VAL 77 HG21 VAL 77 -0.861 -3.199 -4.004 584 HG22 VAL 77 HG22 VAL 77 0.344 -4.283 -3.303 585 HG23 VAL 77 HG23 VAL 77 -0.269 -4.578 -4.929 586 H GLU 78 HN GLU 78 -1.673 -3.127 -6.828 587 HA GLU 78 HA GLU 78 -1.096 -5.382 -8.435 588 HB2 GLU 78 HB2 GLU 78 -3.506 -3.510 -8.537 589 HB3 GLU 78 HB1 GLU 78 -3.375 -4.955 -9.529 590 HG2 GLU 78 HG2 GLU 78 -3.470 -4.908 -6.509 591 HG3 GLU 78 HG1 GLU 78 -4.826 -5.258 -7.564 592 H HIS 79 HN HIS 79 -1.758 -1.983 -9.289 593 HA HIS 79 HA HIS 79 -1.452 -2.182 -12.070 594 HB2 HIS 79 HB2 HIS 79 -1.204 0.182 -10.184 595 HB3 HIS 79 HB1 HIS 79 -0.969 0.367 -11.918 596 HD1 HIS 79 HD1 HIS 79 -3.008 1.561 -12.683 597 HD2 HIS 79 HD2 HIS 79 -3.950 -1.564 -10.110 598 HE1 HIS 79 HE1 HIS 79 -5.515 1.461 -12.625 599 HE2 HIS 79 HE2 HIS 79 -6.058 -0.364 -10.987 600 H LYS 80 HN LYS 80 0.984 -1.588 -9.553 601 HA LYS 80 HA LYS 80 3.161 -0.878 -11.185 602 HB2 LYS 80 HB2 LYS 80 3.351 -2.523 -8.631 603 HB3 LYS 80 HB1 LYS 80 4.621 -1.530 -9.338 604 HG2 LYS 80 HG2 LYS 80 2.052 -0.567 -8.066 605 HG3 LYS 80 HG1 LYS 80 3.672 -0.447 -7.388 606 HD2 LYS 80 HD2 LYS 80 2.731 0.936 -9.922 607 HD3 LYS 80 HD1 LYS 80 2.827 1.692 -8.332 608 HE2 LYS 80 HE2 LYS 80 5.289 1.282 -8.319 609 HE3 LYS 80 HE1 LYS 80 5.163 0.614 -9.950 610 HZ1 LYS 80 HZ1 LYS 80 5.834 2.959 -9.919 611 HZ2 LYS 80 HZ2 LYS 80 4.365 3.365 -9.188 612 HZ3 LYS 80 HZ3 LYS 80 4.380 2.723 -10.743 613 H LEU 81 HN LEU 81 2.264 -4.091 -9.919 614 HA LEU 81 HA LEU 81 4.334 -5.443 -11.416 615 HB2 LEU 81 HB2 LEU 81 2.120 -6.483 -9.621 616 HB3 LEU 81 HB1 LEU 81 3.213 -7.549 -10.481 617 HG LEU 81 HG LEU 81 4.067 -7.425 -8.272 618 HD11 LEU 81 HD11 LEU 81 5.780 -5.492 -9.861 619 HD12 LEU 81 HD12 LEU 81 5.831 -7.253 -9.971 620 HD13 LEU 81 HD13 LEU 81 6.287 -6.456 -8.470 621 HD21 LEU 81 HD21 LEU 81 2.836 -5.507 -7.446 622 HD22 LEU 81 HD22 LEU 81 3.876 -4.407 -8.353 623 HD23 LEU 81 HD23 LEU 81 4.544 -5.373 -7.034 624 H SER 82 HN SER 82 1.133 -4.479 -12.174 625 HA SER 82 HA SER 82 0.783 -6.468 -14.293 626 HB2 SER 82 HB2 SER 82 -0.937 -4.098 -13.460 627 HB3 SER 82 HB1 SER 82 -1.360 -5.247 -14.737 628 HG SER 82 HG SER 82 -0.878 -5.929 -12.014 629 H HIS 83 HN HIS 83 2.124 -3.281 -13.926 630 HA HIS 83 HA HIS 83 2.319 -2.954 -16.878 631 HB2 HIS 83 HB2 HIS 83 1.934 -0.725 -14.820 632 HB3 HIS 83 HB1 HIS 83 2.240 -0.475 -16.534 633 HD1 HIS 83 HD1 HIS 83 0.265 -0.828 -18.156 634 HD2 HIS 83 HD2 HIS 83 -0.707 -1.566 -14.187 635 HE1 HIS 83 HE1 HIS 83 -2.241 -0.940 -18.083 636 HE2 HIS 83 HE2 HIS 83 -2.791 -1.529 -15.696 637 H282 PNS 84 H282 PNS 84 7.052 14.909 6.692 638 H281 PNS 84 H281 PNS 84 6.721 13.386 7.512 639 H303 PNS 84 H303 PNS 84 5.401 11.541 4.539 640 H302 PNS 84 H302 PNS 84 5.693 11.446 6.274 641 H301 PNS 84 H301 PNS 84 4.389 12.462 5.655 642 H313 PNS 84 H313 PNS 84 8.140 12.143 5.911 643 H312 PNS 84 H312 PNS 84 7.837 12.222 4.174 644 H311 PNS 84 H311 PNS 84 8.502 13.621 5.010 645 H32 PNS 84 H32 PNS 84 5.008 14.809 4.524 646 H33 PNS 84 H33 PNS 84 6.594 15.864 3.253 647 H36 PNS 84 H36 PNS 84 7.528 13.084 2.600 648 H372 PNS 84 H372 PNS 84 5.865 12.707 0.293 649 H371 PNS 84 H371 PNS 84 7.497 12.094 0.547 650 H382 PNS 84 H382 PNS 84 6.368 10.085 0.459 651 H381 PNS 84 H381 PNS 84 6.268 10.397 2.189 652 H41 PNS 84 H41 PNS 84 4.529 8.795 1.980 653 H422 PNS 84 H422 PNS 84 2.088 9.134 0.632 654 H421 PNS 84 H421 PNS 84 2.349 8.147 2.064 655 H431 PNS 84 H431 PNS 84 1.670 11.091 2.001 656 H432 PNS 84 H432 PNS 84 2.059 10.188 3.469 657 H44 PNS 84 H44 PNS 84 -0.373 8.844 1.589 Start of MODEL 7 1 H MET 1 HT1 MET 1 -8.685 -6.568 -5.435 2 HA MET 1 HA MET 1 -6.430 -7.082 -6.080 3 HB2 MET 1 HB2 MET 1 -6.878 -6.295 -3.170 4 HB3 MET 1 HB1 MET 1 -5.297 -6.203 -3.945 5 HG2 MET 1 HG2 MET 1 -6.335 -4.022 -3.956 6 HG3 MET 1 HG1 MET 1 -6.205 -4.629 -5.604 7 HE1 MET 1 HE1 MET 1 -8.545 -3.541 -2.704 8 HE2 MET 1 HE2 MET 1 -8.830 -5.281 -2.654 9 HE3 MET 1 HE3 MET 1 -10.112 -4.187 -3.181 10 H GLN 2 HN GLN 2 -4.547 -8.267 -5.815 11 HA GLN 2 HA GLN 2 -4.823 -10.870 -4.436 12 HB2 GLN 2 HB2 GLN 2 -2.422 -10.298 -6.167 13 HB3 GLN 2 HB1 GLN 2 -3.373 -11.765 -6.029 14 HG2 GLN 2 HG2 GLN 2 -4.345 -9.313 -7.497 15 HG3 GLN 2 HG1 GLN 2 -3.384 -10.562 -8.268 16 HE21 GLN 2 HE21 GLN 2 -5.998 -11.285 -5.938 17 HE22 GLN 2 HE22 GLN 2 -7.040 -11.993 -7.105 18 H HIS 3 HN HIS 3 -2.891 -7.990 -4.708 19 HA HIS 3 HA HIS 3 -0.713 -8.965 -3.117 20 HB2 HIS 3 HB2 HIS 3 -1.197 -6.271 -4.428 21 HB3 HIS 3 HB1 HIS 3 0.296 -6.734 -3.619 22 HD1 HIS 3 HD1 HIS 3 1.159 -9.266 -4.732 23 HD2 HIS 3 HD2 HIS 3 -0.862 -6.522 -7.106 24 HE1 HIS 3 HE1 HIS 3 1.740 -9.857 -7.092 25 HE2 HIS 3 HE2 HIS 3 0.336 -8.330 -8.506 26 H LEU 4 HN LEU 4 -3.672 -7.594 -2.281 27 HA LEU 4 HA LEU 4 -3.211 -5.688 -0.355 28 HB2 LEU 4 HB2 LEU 4 -5.367 -6.064 0.506 29 HB3 LEU 4 HB1 LEU 4 -5.494 -6.561 -1.167 30 HG LEU 4 HG LEU 4 -5.186 -8.496 1.171 31 HD11 LEU 4 HD11 LEU 4 -7.303 -7.303 1.372 32 HD12 LEU 4 HD12 LEU 4 -7.568 -8.993 0.945 33 HD13 LEU 4 HD13 LEU 4 -7.729 -7.739 -0.288 34 HD21 LEU 4 HD21 LEU 4 -4.387 -9.454 -0.944 35 HD22 LEU 4 HD22 LEU 4 -5.926 -9.066 -1.719 36 HD23 LEU 4 HD23 LEU 4 -5.869 -10.249 -0.411 37 H GLU 5 HN GLU 5 -2.761 -9.172 -0.079 38 HA GLU 5 HA GLU 5 -2.606 -9.198 2.780 39 HB2 GLU 5 HB2 GLU 5 -3.277 -11.218 1.565 40 HB3 GLU 5 HB1 GLU 5 -1.692 -11.322 0.802 41 HG2 GLU 5 HG2 GLU 5 -0.624 -11.722 2.945 42 HG3 GLU 5 HG1 GLU 5 -2.142 -11.454 3.804 43 H ALA 6 HN ALA 6 -0.179 -9.208 0.171 44 HA ALA 6 HA ALA 6 2.115 -9.241 1.837 45 HB1 ALA 6 HB1 ALA 6 2.227 -9.828 -0.534 46 HB2 ALA 6 HB2 ALA 6 3.359 -8.526 -0.153 47 HB3 ALA 6 HB3 ALA 6 1.840 -8.165 -0.980 48 H VAL 7 HN VAL 7 0.029 -6.622 0.714 49 HA VAL 7 HA VAL 7 1.670 -4.447 1.554 50 HB VAL 7 HB VAL 7 -1.372 -4.515 1.172 51 HG11 VAL 7 HG11 VAL 7 -1.219 -2.035 1.063 52 HG12 VAL 7 HG12 VAL 7 0.500 -2.115 1.458 53 HG13 VAL 7 HG13 VAL 7 -0.703 -2.642 2.634 54 HG21 VAL 7 HG21 VAL 7 -0.910 -3.351 -0.985 55 HG22 VAL 7 HG22 VAL 7 -0.219 -4.978 -0.934 56 HG23 VAL 7 HG23 VAL 7 0.829 -3.574 -0.718 57 H ARG 8 HN ARG 8 -1.020 -6.237 3.139 58 HA ARG 8 HA ARG 8 -0.980 -4.657 5.551 59 HB2 ARG 8 HB2 ARG 8 -2.603 -6.168 6.476 60 HB3 ARG 8 HB1 ARG 8 -3.018 -5.910 4.788 61 HG2 ARG 8 HG2 ARG 8 -1.973 -8.106 4.239 62 HG3 ARG 8 HG1 ARG 8 -1.682 -8.372 5.962 63 HD2 ARG 8 HD2 ARG 8 -4.125 -8.275 6.369 64 HD3 ARG 8 HD1 ARG 8 -4.407 -7.984 4.649 65 HE ARG 8 HE ARG 8 -2.932 -10.391 5.061 66 HH11 ARG 8 HH11 ARG 8 -6.205 -9.123 5.291 67 HH12 ARG 8 HH12 ARG 8 -6.943 -10.668 5.038 68 HH21 ARG 8 HH21 ARG 8 -3.961 -12.421 4.716 69 HH22 ARG 8 HH22 ARG 8 -5.692 -12.505 4.706 70 H ASN 9 HN ASN 9 0.783 -7.402 4.399 71 HA ASN 9 HA ASN 9 1.901 -8.364 6.813 72 HB2 ASN 9 HB2 ASN 9 2.113 -9.670 4.765 73 HB3 ASN 9 HB1 ASN 9 2.910 -8.347 3.928 74 HD21 ASN 9 HD21 ASN 9 4.724 -9.503 3.373 75 HD22 ASN 9 HD22 ASN 9 5.883 -10.083 4.517 76 H ILE 10 HN ILE 10 2.971 -6.012 4.387 77 HA ILE 10 HA ILE 10 5.336 -5.087 5.598 78 HB ILE 10 HB ILE 10 3.429 -3.790 3.614 79 HG12 ILE 10 HG12 ILE 10 6.153 -5.113 3.218 80 HG13 ILE 10 HG11 ILE 10 4.604 -5.882 2.902 81 HG21 ILE 10 HG21 ILE 10 6.173 -2.769 4.435 82 HG22 ILE 10 HG22 ILE 10 4.630 -1.954 4.690 83 HG23 ILE 10 HG23 ILE 10 5.245 -2.175 3.054 84 HD11 ILE 10 HD11 ILE 10 5.721 -3.491 1.470 85 HD12 ILE 10 HD12 ILE 10 4.150 -4.238 1.163 86 HD13 ILE 10 HD13 ILE 10 5.630 -5.146 0.868 87 H LEU 11 HN LEU 11 2.031 -3.728 5.722 88 HA LEU 11 HA LEU 11 2.627 -1.535 7.412 89 HB2 LEU 11 HB2 LEU 11 0.002 -3.006 6.955 90 HB3 LEU 11 HB1 LEU 11 0.149 -1.441 7.744 91 HG LEU 11 HG LEU 11 0.972 -1.955 4.857 92 HD11 LEU 11 HD11 LEU 11 -1.090 -0.820 4.192 93 HD12 LEU 11 HD12 LEU 11 -1.601 -0.741 5.879 94 HD13 LEU 11 HD13 LEU 11 -1.423 -2.304 5.081 95 HD21 LEU 11 HD21 LEU 11 0.973 0.507 4.644 96 HD22 LEU 11 HD22 LEU 11 2.135 -0.035 5.852 97 HD23 LEU 11 HD23 LEU 11 0.596 0.662 6.363 98 H GLY 12 HN GLY 12 1.603 -4.859 8.029 99 HA2 GLY 12 HA2 GLY 12 1.361 -4.672 10.856 100 HA3 GLY 12 HA1 GLY 12 1.519 -6.144 9.916 101 H ASP 13 HN ASP 13 4.090 -5.003 8.748 102 HA ASP 13 HA ASP 13 5.907 -6.025 10.767 103 HB2 ASP 13 HB2 ASP 13 6.138 -6.700 8.391 104 HB3 ASP 13 HB1 ASP 13 6.365 -5.022 7.919 105 H VAL 14 HN VAL 14 5.339 -2.978 9.055 106 HA VAL 14 HA VAL 14 7.556 -1.571 10.237 107 HB VAL 14 HB VAL 14 5.219 -0.506 8.573 108 HG11 VAL 14 HG11 VAL 14 6.641 1.506 8.192 109 HG12 VAL 14 HG12 VAL 14 7.819 0.881 9.350 110 HG13 VAL 14 HG13 VAL 14 6.197 1.314 9.888 111 HG21 VAL 14 HG21 VAL 14 6.822 -0.481 6.687 112 HG22 VAL 14 HG22 VAL 14 6.597 -2.113 7.317 113 HG23 VAL 14 HG23 VAL 14 8.055 -1.209 7.719 114 H LEU 15 HN LEU 15 3.974 -1.272 10.474 115 HA LEU 15 HA LEU 15 4.207 0.635 12.675 116 HB2 LEU 15 HB2 LEU 15 1.709 -0.549 11.408 117 HB3 LEU 15 HB1 LEU 15 1.724 0.706 12.630 118 HG LEU 15 HG LEU 15 1.354 1.966 10.721 119 HD11 LEU 15 HD11 LEU 15 3.315 2.879 11.858 120 HD12 LEU 15 HD12 LEU 15 3.337 3.215 10.132 121 HD13 LEU 15 HD13 LEU 15 4.380 1.953 10.790 122 HD21 LEU 15 HD21 LEU 15 3.244 0.212 9.123 123 HD22 LEU 15 HD22 LEU 15 2.344 1.600 8.503 124 HD23 LEU 15 HD23 LEU 15 1.478 0.177 9.076 125 H ASN 16 HN ASN 16 4.094 -2.710 12.339 126 HA ASN 16 HA ASN 16 4.261 -4.403 13.776 127 HB2 ASN 16 HB2 ASN 16 5.720 -2.817 15.073 128 HB3 ASN 16 HB1 ASN 16 4.314 -2.332 16.010 129 HD21 ASN 16 HD21 ASN 16 6.504 -4.984 15.300 130 HD22 ASN 16 HD22 ASN 16 6.194 -5.881 16.744 131 H LEU 17 HN LEU 17 1.963 -4.427 12.811 132 HA LEU 17 HA LEU 17 -0.205 -4.387 14.738 133 HB2 LEU 17 HB2 LEU 17 0.013 -5.321 11.858 134 HB3 LEU 17 HB1 LEU 17 -1.425 -5.633 12.806 135 HG LEU 17 HG LEU 17 -1.902 -3.241 12.997 136 HD11 LEU 17 HD11 LEU 17 0.621 -2.730 11.400 137 HD12 LEU 17 HD12 LEU 17 0.348 -2.306 13.092 138 HD13 LEU 17 HD13 LEU 17 -0.594 -1.521 11.827 139 HD21 LEU 17 HD21 LEU 17 -1.297 -4.008 10.120 140 HD22 LEU 17 HD22 LEU 17 -2.406 -2.736 10.640 141 HD23 LEU 17 HD23 LEU 17 -2.759 -4.417 11.020 142 H GLY 18 HN GLY 18 1.990 -6.765 13.279 143 HA2 GLY 18 HA2 GLY 18 2.574 -8.898 13.814 144 HA3 GLY 18 HA1 GLY 18 1.923 -8.584 15.415 145 H GLU 19 HN GLU 19 -0.199 -9.207 15.881 146 HA GLU 19 HA GLU 19 -1.307 -11.417 14.361 147 HB2 GLU 19 HB2 GLU 19 -1.276 -11.468 16.844 148 HB3 GLU 19 HB1 GLU 19 -2.263 -10.011 16.900 149 HG2 GLU 19 HG2 GLU 19 -4.078 -11.309 15.686 150 HG3 GLU 19 HG1 GLU 19 -3.102 -12.756 15.917 151 H ARG 20 HN ARG 20 -2.068 -8.067 15.086 152 HA ARG 20 HA ARG 20 -4.803 -7.972 14.519 153 HB2 ARG 20 HB2 ARG 20 -3.425 -6.309 15.805 154 HB3 ARG 20 HB1 ARG 20 -2.774 -5.714 14.291 155 HG2 ARG 20 HG2 ARG 20 -5.751 -5.666 14.761 156 HG3 ARG 20 HG1 ARG 20 -4.731 -4.446 15.518 157 HD2 ARG 20 HD2 ARG 20 -3.920 -3.732 13.312 158 HD3 ARG 20 HD1 ARG 20 -4.879 -4.999 12.540 159 HE ARG 20 HE ARG 20 -6.829 -3.804 12.961 160 HH11 ARG 20 HH11 ARG 20 -4.061 -2.046 14.212 161 HH12 ARG 20 HH12 ARG 20 -4.970 -0.596 14.476 162 HH21 ARG 20 HH21 ARG 20 -7.983 -1.889 13.287 163 HH22 ARG 20 HH22 ARG 20 -7.173 -0.501 13.950 164 H LYS 21 HN LYS 21 -2.088 -7.841 12.336 165 HA LYS 21 HA LYS 21 -3.494 -6.833 10.036 166 HB2 LYS 21 HB2 LYS 21 -1.399 -7.565 8.794 167 HB3 LYS 21 HB1 LYS 21 -1.182 -6.370 10.063 168 HG2 LYS 21 HG2 LYS 21 0.051 -7.765 11.396 169 HG3 LYS 21 HG1 LYS 21 -0.823 -9.211 10.904 170 HD2 LYS 21 HD2 LYS 21 0.953 -7.880 8.882 171 HD3 LYS 21 HD1 LYS 21 1.725 -8.786 10.184 172 HE2 LYS 21 HE2 LYS 21 1.380 -10.150 8.151 173 HE3 LYS 21 HE1 LYS 21 0.504 -10.785 9.540 174 HZ1 LYS 21 HZ1 LYS 21 -0.735 -9.108 7.442 175 HZ2 LYS 21 HZ2 LYS 21 -1.518 -9.936 8.691 176 HZ3 LYS 21 HZ3 LYS 21 -0.765 -10.794 7.453 177 H HIS 22 HN HIS 22 -3.975 -9.724 11.504 178 HA HIS 22 HA HIS 22 -4.170 -11.368 9.086 179 HB2 HIS 22 HB2 HIS 22 -3.331 -12.346 11.255 180 HB3 HIS 22 HB1 HIS 22 -4.903 -12.062 11.976 181 HD1 HIS 22 HD1 HIS 22 -2.973 -14.651 10.482 182 HD2 HIS 22 HD2 HIS 22 -7.012 -13.660 10.422 183 HE1 HIS 22 HE1 HIS 22 -4.182 -16.749 9.818 184 HE2 HIS 22 HE2 HIS 22 -6.616 -16.138 9.826 185 H THR 23 HN THR 23 -6.206 -9.933 11.596 186 HA THR 23 HA THR 23 -8.686 -11.085 10.729 187 HB THR 23 HB THR 23 -8.450 -10.540 13.078 188 HG1 THR 23 HG1 THR 23 -10.570 -10.244 11.998 189 HG21 THR 23 HG21 THR 23 -8.238 -7.609 12.282 190 HG22 THR 23 HG22 THR 23 -6.926 -8.596 12.928 191 HG23 THR 23 HG23 THR 23 -8.329 -8.232 13.931 192 H LEU 24 HN LEU 24 -7.011 -8.121 9.986 193 HA LEU 24 HA LEU 24 -9.325 -6.858 8.754 194 HB2 LEU 24 HB2 LEU 24 -7.786 -4.996 8.225 195 HB3 LEU 24 HB1 LEU 24 -7.874 -5.385 9.921 196 HG LEU 24 HG LEU 24 -5.617 -6.643 9.568 197 HD11 LEU 24 HD11 LEU 24 -4.169 -5.776 7.769 198 HD12 LEU 24 HD12 LEU 24 -5.548 -4.931 7.061 199 HD13 LEU 24 HD13 LEU 24 -5.529 -6.693 7.130 200 HD21 LEU 24 HD21 LEU 24 -5.696 -3.616 9.347 201 HD22 LEU 24 HD22 LEU 24 -4.339 -4.586 9.928 202 HD23 LEU 24 HD23 LEU 24 -5.845 -4.558 10.835 203 H THR 25 HN THR 25 -9.314 -6.112 6.557 204 HA THR 25 HA THR 25 -7.787 -7.629 4.561 205 HB THR 25 HB THR 25 -9.916 -8.000 3.245 206 HG1 THR 25 HG1 THR 25 -11.189 -7.265 5.692 207 HG21 THR 25 HG21 THR 25 -8.976 -9.871 4.564 208 HG22 THR 25 HG22 THR 25 -10.739 -9.939 4.528 209 HG23 THR 25 HG23 THR 25 -9.908 -9.352 5.971 210 H ALA 26 HN ALA 26 -9.308 -6.524 2.325 211 HA ALA 26 HA ALA 26 -7.821 -4.194 1.892 212 HB1 ALA 26 HB1 ALA 26 -8.656 -5.648 0.092 213 HB2 ALA 26 HB2 ALA 26 -9.091 -3.962 -0.185 214 HB3 ALA 26 HB3 ALA 26 -10.304 -5.101 0.405 215 H SER 27 HN SER 27 -10.945 -4.498 3.412 216 HA SER 27 HA SER 27 -11.819 -1.777 2.995 217 HB2 SER 27 HB2 SER 27 -12.842 -3.942 4.871 218 HB3 SER 27 HB1 SER 27 -13.642 -2.391 4.590 219 HG SER 27 HG SER 27 -14.014 -2.954 2.500 220 H SER 28 HN SER 28 -9.526 -3.128 5.075 221 HA SER 28 HA SER 28 -9.920 -1.795 7.518 222 HB2 SER 28 HB2 SER 28 -8.379 -3.717 7.258 223 HB3 SER 28 HB1 SER 28 -7.297 -2.728 6.277 224 HG SER 28 HG SER 28 -6.806 -1.503 8.054 225 H VAL 29 HN VAL 29 -9.668 0.284 8.068 226 HA VAL 29 HA VAL 29 -8.670 2.284 6.229 227 HB VAL 29 HB VAL 29 -9.518 2.506 9.169 228 HG11 VAL 29 HG11 VAL 29 -8.145 4.430 8.518 229 HG12 VAL 29 HG12 VAL 29 -9.821 4.923 8.759 230 HG13 VAL 29 HG13 VAL 29 -9.181 4.732 7.122 231 HG21 VAL 29 HG21 VAL 29 -11.356 1.674 7.767 232 HG22 VAL 29 HG22 VAL 29 -11.155 3.025 6.650 233 HG23 VAL 29 HG23 VAL 29 -11.694 3.321 8.306 234 H LEU 30 HN LEU 30 -6.746 3.637 6.668 235 HA LEU 30 HA LEU 30 -4.786 2.449 8.570 236 HB2 LEU 30 HB2 LEU 30 -4.133 3.797 5.926 237 HB3 LEU 30 HB1 LEU 30 -2.977 3.096 7.047 238 HG LEU 30 HG LEU 30 -5.075 1.539 5.479 239 HD11 LEU 30 HD11 LEU 30 -3.311 2.411 4.031 240 HD12 LEU 30 HD12 LEU 30 -3.205 0.658 4.175 241 HD13 LEU 30 HD13 LEU 30 -2.080 1.686 5.069 242 HD21 LEU 30 HD21 LEU 30 -2.865 0.483 7.292 243 HD22 LEU 30 HD22 LEU 30 -3.945 -0.495 6.294 244 HD23 LEU 30 HD23 LEU 30 -4.600 0.441 7.633 245 H LEU 31 HN LEU 31 -5.177 5.494 6.672 246 HA LEU 31 HA LEU 31 -4.304 7.304 8.567 247 HB2 LEU 31 HB2 LEU 31 -6.358 7.541 6.354 248 HB3 LEU 31 HB1 LEU 31 -6.025 8.904 7.404 249 HG LEU 31 HG LEU 31 -3.987 7.542 5.610 250 HD11 LEU 31 HD11 LEU 31 -4.052 9.613 4.290 251 HD12 LEU 31 HD12 LEU 31 -5.349 10.234 5.313 252 HD13 LEU 31 HD13 LEU 31 -5.620 8.808 4.309 253 HD21 LEU 31 HD21 LEU 31 -2.931 8.439 7.635 254 HD22 LEU 31 HD22 LEU 31 -3.690 10.009 7.360 255 HD23 LEU 31 HD23 LEU 31 -2.486 9.395 6.224 256 H GLY 32 HN GLY 32 -4.940 7.411 10.582 257 HA2 GLY 32 HA2 GLY 32 -6.366 8.242 12.244 258 HA3 GLY 32 HA1 GLY 32 -7.769 7.841 11.268 259 H ASN 33 HN ASN 33 -6.770 5.088 10.720 260 HA ASN 33 HA ASN 33 -7.917 3.813 13.049 261 HB2 ASN 33 HB2 ASN 33 -8.402 2.938 10.797 262 HB3 ASN 33 HB1 ASN 33 -6.696 2.588 10.537 263 HD21 ASN 33 HD21 ASN 33 -6.929 0.358 10.297 264 HD22 ASN 33 HD22 ASN 33 -7.445 -0.687 11.563 265 H ILE 34 HN ILE 34 -4.783 3.433 11.341 266 HA ILE 34 HA ILE 34 -3.605 2.021 13.569 267 HB ILE 34 HB ILE 34 -2.130 3.135 11.144 268 HG12 ILE 34 HG12 ILE 34 -3.993 1.690 10.329 269 HG13 ILE 34 HG11 ILE 34 -2.432 0.943 10.019 270 HG21 ILE 34 HG21 ILE 34 -1.442 0.888 13.075 271 HG22 ILE 34 HG22 ILE 34 -0.659 2.465 12.964 272 HG23 ILE 34 HG23 ILE 34 -0.502 1.311 11.639 273 HD11 ILE 34 HD11 ILE 34 -2.786 -0.522 11.984 274 HD12 ILE 34 HD12 ILE 34 -4.020 -0.712 10.742 275 HD13 ILE 34 HD13 ILE 34 -4.380 0.204 12.203 276 HA PRO 35 HA PRO 35 -2.578 6.058 15.400 277 HB2 PRO 35 HB2 PRO 35 -1.648 5.202 17.803 278 HB3 PRO 35 HB1 PRO 35 -3.366 5.104 17.390 279 HG2 PRO 35 HG2 PRO 35 -1.267 2.936 17.284 280 HG3 PRO 35 HG1 PRO 35 -2.920 2.857 17.935 281 HD2 PRO 35 HD2 PRO 35 -2.240 1.950 15.422 282 HD3 PRO 35 HD1 PRO 35 -3.860 2.547 15.825 283 H GLU 36 HN GLU 36 -0.447 3.643 14.370 284 HA GLU 36 HA GLU 36 2.002 5.124 15.033 285 HB2 GLU 36 HB2 GLU 36 1.530 2.352 13.873 286 HB3 GLU 36 HB1 GLU 36 3.129 3.063 14.080 287 HG2 GLU 36 HG2 GLU 36 1.154 2.479 16.312 288 HG3 GLU 36 HG1 GLU 36 2.558 1.498 15.895 289 H LEU 37 HN LEU 37 -0.282 4.964 12.581 290 HA LEU 37 HA LEU 37 1.485 5.192 10.292 291 HB2 LEU 37 HB2 LEU 37 -0.825 4.073 10.317 292 HB3 LEU 37 HB1 LEU 37 -1.526 5.669 10.403 293 HG LEU 37 HG LEU 37 -1.553 4.546 8.115 294 HD11 LEU 37 HD11 LEU 37 -1.910 6.964 8.335 295 HD12 LEU 37 HD12 LEU 37 -1.087 6.545 6.828 296 HD13 LEU 37 HD13 LEU 37 -0.168 7.238 8.169 297 HD21 LEU 37 HD21 LEU 37 0.484 4.560 6.750 298 HD22 LEU 37 HD22 LEU 37 0.671 3.522 8.160 299 HD23 LEU 37 HD23 LEU 37 1.428 5.117 8.134 300 H ASP 38 HN ASP 38 2.718 6.951 11.075 301 HA ASP 38 HA ASP 38 1.561 9.651 11.064 302 HB2 ASP 38 HB2 ASP 38 2.989 8.998 12.986 303 HB3 ASP 38 HB1 ASP 38 4.287 8.529 11.900 304 H SER 39 HN SER 39 2.985 11.303 9.936 305 HA SER 39 HA SER 39 3.593 11.149 7.311 306 HB2 SER 39 HB2 SER 39 4.581 12.775 9.606 307 HB3 SER 39 HB1 SER 39 5.637 12.778 8.199 308 H MET 40 HN MET 40 6.104 10.594 9.844 309 HA MET 40 HA MET 40 8.145 9.817 8.050 310 HB2 MET 40 HB2 MET 40 7.849 9.073 10.989 311 HB3 MET 40 HB1 MET 40 9.312 8.919 10.017 312 HG2 MET 40 HG2 MET 40 7.924 11.540 10.611 313 HG3 MET 40 HG1 MET 40 9.318 10.913 11.496 314 HE1 MET 40 HE1 MET 40 10.751 13.117 11.050 315 HE2 MET 40 HE2 MET 40 9.351 13.826 10.244 316 HE3 MET 40 HE3 MET 40 10.928 13.851 9.457 317 H ALA 41 HN ALA 41 5.641 8.017 9.686 318 HA ALA 41 HA ALA 41 6.481 5.393 9.050 319 HB1 ALA 41 HB1 ALA 41 4.243 4.707 9.696 320 HB2 ALA 41 HB2 ALA 41 3.681 6.376 9.628 321 HB3 ALA 41 HB3 ALA 41 4.874 5.897 10.835 322 H VAL 42 HN VAL 42 4.552 7.777 7.154 323 HA VAL 42 HA VAL 42 3.736 5.908 5.155 324 HB VAL 42 HB VAL 42 3.077 7.646 3.709 325 HG11 VAL 42 HG11 VAL 42 1.837 9.275 5.080 326 HG12 VAL 42 HG12 VAL 42 2.777 8.787 6.491 327 HG13 VAL 42 HG13 VAL 42 1.705 7.630 5.701 328 HG21 VAL 42 HG21 VAL 42 3.812 10.048 3.848 329 HG22 VAL 42 HG22 VAL 42 5.113 8.941 3.421 330 HG23 VAL 42 HG23 VAL 42 5.009 9.582 5.052 331 H VAL 43 HN VAL 43 6.668 7.830 5.665 332 HA VAL 43 HA VAL 43 7.850 7.324 3.088 333 HB VAL 43 HB VAL 43 9.474 7.826 5.620 334 HG11 VAL 43 HG11 VAL 43 10.982 9.069 4.111 335 HG12 VAL 43 HG12 VAL 43 9.932 8.704 2.740 336 HG13 VAL 43 HG13 VAL 43 10.780 7.400 3.574 337 HG21 VAL 43 HG21 VAL 43 7.627 9.417 5.694 338 HG22 VAL 43 HG22 VAL 43 7.963 9.939 4.037 339 HG23 VAL 43 HG23 VAL 43 9.134 10.255 5.320 340 H ASN 44 HN ASN 44 8.130 5.826 6.250 341 HA ASN 44 HA ASN 44 10.002 3.825 5.777 342 HB2 ASN 44 HB2 ASN 44 7.729 4.096 7.751 343 HB3 ASN 44 HB1 ASN 44 8.766 2.665 7.765 344 HD21 ASN 44 HD21 ASN 44 8.377 4.812 9.768 345 HD22 ASN 44 HD22 ASN 44 9.957 5.437 10.073 346 H VAL 45 HN VAL 45 6.444 3.632 5.511 347 HA VAL 45 HA VAL 45 6.453 0.836 4.915 348 HB VAL 45 HB VAL 45 4.049 1.049 4.378 349 HG11 VAL 45 HG11 VAL 45 4.700 0.730 6.705 350 HG12 VAL 45 HG12 VAL 45 3.278 1.769 6.620 351 HG13 VAL 45 HG13 VAL 45 4.867 2.471 6.934 352 HG21 VAL 45 HG21 VAL 45 4.444 4.028 4.820 353 HG22 VAL 45 HG22 VAL 45 2.878 3.223 4.651 354 HG23 VAL 45 HG23 VAL 45 4.011 3.244 3.298 355 H ILE 46 HN ILE 46 6.318 3.800 2.903 356 HA ILE 46 HA ILE 46 5.797 2.550 0.413 357 HB ILE 46 HB ILE 46 7.274 5.144 1.036 358 HG12 ILE 46 HG12 ILE 46 4.480 4.669 -0.128 359 HG13 ILE 46 HG11 ILE 46 4.813 5.051 1.557 360 HG21 ILE 46 HG21 ILE 46 7.082 5.753 -1.372 361 HG22 ILE 46 HG22 ILE 46 6.474 4.135 -1.732 362 HG23 ILE 46 HG23 ILE 46 8.121 4.347 -1.138 363 HD11 ILE 46 HD11 ILE 46 5.394 6.851 -0.790 364 HD12 ILE 46 HD12 ILE 46 5.680 7.227 0.911 365 HD13 ILE 46 HD13 ILE 46 4.036 6.991 0.325 366 H THR 47 HN THR 47 8.857 3.376 2.017 367 HA THR 47 HA THR 47 10.691 2.307 0.191 368 HB THR 47 HB THR 47 10.890 2.412 3.233 369 HG1 THR 47 HG1 THR 47 11.300 4.462 2.958 370 HG21 THR 47 HG21 THR 47 13.349 2.408 2.896 371 HG22 THR 47 HG22 THR 47 13.119 2.173 1.163 372 HG23 THR 47 HG23 THR 47 12.633 0.911 2.300 373 H ALA 48 HN ALA 48 8.950 0.753 2.878 374 HA ALA 48 HA ALA 48 10.105 -1.831 2.596 375 HB1 ALA 48 HB1 ALA 48 9.127 -1.057 4.697 376 HB2 ALA 48 HB2 ALA 48 8.366 -2.557 4.162 377 HB3 ALA 48 HB3 ALA 48 7.526 -1.017 3.955 378 H LEU 49 HN LEU 49 7.311 -0.294 1.041 379 HA LEU 49 HA LEU 49 6.146 -2.587 -0.152 380 HB2 LEU 49 HB2 LEU 49 6.027 0.371 -0.696 381 HB3 LEU 49 HB1 LEU 49 5.636 -0.659 -2.051 382 HG LEU 49 HG LEU 49 3.579 0.037 -0.983 383 HD11 LEU 49 HD11 LEU 49 4.111 -2.878 -0.371 384 HD12 LEU 49 HD12 LEU 49 3.592 -2.206 -1.917 385 HD13 LEU 49 HD13 LEU 49 2.520 -2.120 -0.522 386 HD21 LEU 49 HD21 LEU 49 2.969 -0.543 1.324 387 HD22 LEU 49 HD22 LEU 49 4.359 0.536 1.272 388 HD23 LEU 49 HD23 LEU 49 4.593 -1.180 1.603 389 H GLU 50 HN GLU 50 8.613 -0.296 -1.244 390 HA GLU 50 HA GLU 50 9.371 -1.380 -3.701 391 HB2 GLU 50 HB2 GLU 50 11.317 -0.111 -1.726 392 HB3 GLU 50 HB1 GLU 50 11.431 -0.123 -3.480 393 HG2 GLU 50 HG2 GLU 50 9.185 1.282 -2.038 394 HG3 GLU 50 HG1 GLU 50 10.734 2.058 -2.319 395 H GLU 51 HN GLU 51 10.532 -2.150 -0.429 396 HA GLU 51 HA GLU 51 12.633 -3.910 -1.026 397 HB2 GLU 51 HB2 GLU 51 10.806 -3.870 1.416 398 HB3 GLU 51 HB1 GLU 51 12.315 -4.766 1.323 399 HG2 GLU 51 HG2 GLU 51 12.030 -1.757 1.202 400 HG3 GLU 51 HG1 GLU 51 12.556 -2.690 2.595 401 H TYR 52 HN TYR 52 9.326 -4.787 0.063 402 HA TYR 52 HA TYR 52 9.763 -7.586 -0.165 403 HB2 TYR 52 HB2 TYR 52 7.253 -5.941 0.274 404 HB3 TYR 52 HB1 TYR 52 7.194 -7.696 0.160 405 HD1 TYR 52 HD2 TYR 52 8.753 -4.921 2.144 406 HD2 TYR 52 HD1 TYR 52 7.615 -9.032 2.097 407 HE1 TYR 52 HE2 TYR 52 9.256 -5.077 4.539 408 HE2 TYR 52 HE1 TYR 52 8.113 -9.188 4.496 409 HH TYR 52 HH TYR 52 8.618 -6.460 6.451 410 H PHE 53 HN PHE 53 7.983 -5.289 -2.241 411 HA PHE 53 HA PHE 53 7.144 -7.383 -4.084 412 HB2 PHE 53 HB2 PHE 53 6.751 -4.382 -4.074 413 HB3 PHE 53 HB1 PHE 53 6.183 -5.408 -5.383 414 HD1 PHE 53 HD2 PHE 53 5.784 -4.723 -1.725 415 HD2 PHE 53 HD1 PHE 53 4.129 -6.578 -5.195 416 HE1 PHE 53 HE2 PHE 53 3.655 -5.085 -0.541 417 HE2 PHE 53 HE1 PHE 53 2.035 -6.943 -4.001 418 HZ PHE 53 HZ PHE 53 1.781 -6.191 -1.677 419 H ASP 54 HN ASP 54 9.782 -5.123 -3.862 420 HA ASP 54 HA ASP 54 11.670 -4.797 -5.039 421 HB2 ASP 54 HB2 ASP 54 10.872 -7.263 -6.644 422 HB3 ASP 54 HB1 ASP 54 12.467 -6.527 -6.633 423 H PHE 55 HN PHE 55 9.972 -3.017 -5.653 424 HA PHE 55 HA PHE 55 10.303 -2.550 -8.544 425 HB2 PHE 55 HB2 PHE 55 8.039 -1.843 -8.890 426 HB3 PHE 55 HB1 PHE 55 7.929 -3.397 -8.080 427 HD1 PHE 55 HD1 PHE 55 7.675 -3.267 -5.428 428 HD2 PHE 55 HD2 PHE 55 6.722 -0.062 -8.076 429 HE1 PHE 55 HE1 PHE 55 6.184 -2.297 -3.729 430 HE2 PHE 55 HE2 PHE 55 5.241 0.896 -6.369 431 HZ PHE 55 HZ PHE 55 4.965 -0.216 -4.195 432 H SER 56 HN SER 56 9.612 -0.153 -8.993 433 HA SER 56 HA SER 56 10.239 1.619 -6.718 434 HB2 SER 56 HB2 SER 56 12.129 1.556 -8.384 435 HB3 SER 56 HB1 SER 56 11.013 2.141 -9.621 436 HG SER 56 HG SER 56 11.627 3.476 -7.186 437 H VAL 57 HN VAL 57 8.545 2.659 -6.182 438 HA VAL 57 HA VAL 57 6.169 2.829 -7.705 439 HB VAL 57 HB VAL 57 6.445 2.602 -5.145 440 HG11 VAL 57 HG11 VAL 57 6.774 5.609 -5.248 441 HG12 VAL 57 HG12 VAL 57 7.994 4.439 -4.740 442 HG13 VAL 57 HG13 VAL 57 6.518 4.635 -3.795 443 HG21 VAL 57 HG21 VAL 57 4.301 2.862 -6.216 444 HG22 VAL 57 HG22 VAL 57 4.465 4.619 -6.207 445 HG23 VAL 57 HG23 VAL 57 4.333 3.733 -4.684 446 H ASP 58 HN ASP 58 5.180 4.663 -8.599 447 HA ASP 58 HA ASP 58 6.926 6.915 -9.287 448 HB2 ASP 58 HB2 ASP 58 5.554 5.892 -11.055 449 HB3 ASP 58 HB1 ASP 58 4.085 6.211 -10.137 450 H ASP 59 HN ASP 59 6.573 9.035 -8.554 451 HA ASP 59 HA ASP 59 5.415 9.320 -5.978 452 HB2 ASP 59 HB2 ASP 59 7.426 10.546 -6.741 453 HB3 ASP 59 HB1 ASP 59 6.453 11.445 -7.897 454 H ASP 60 HN ASP 60 4.200 10.149 -9.209 455 HA ASP 60 HA ASP 60 2.292 12.127 -8.372 456 HB2 ASP 60 HB2 ASP 60 2.456 10.610 -11.010 457 HB3 ASP 60 HB1 ASP 60 1.410 11.995 -10.718 458 H GLU 61 HN GLU 61 2.155 8.730 -8.296 459 HA GLU 61 HA GLU 61 -0.771 8.540 -8.544 460 HB2 GLU 61 HB2 GLU 61 -0.494 6.131 -8.301 461 HB3 GLU 61 HB1 GLU 61 0.657 6.733 -9.488 462 HG2 GLU 61 HG2 GLU 61 2.425 6.694 -7.719 463 HG3 GLU 61 HG1 GLU 61 1.255 5.975 -6.618 464 H ILE 62 HN ILE 62 1.724 8.601 -6.077 465 HA ILE 62 HA ILE 62 0.059 7.608 -3.936 466 HB ILE 62 HB ILE 62 2.760 9.018 -3.676 467 HG12 ILE 62 HG12 ILE 62 2.246 6.005 -3.921 468 HG13 ILE 62 HG11 ILE 62 2.983 7.016 -5.160 469 HG21 ILE 62 HG21 ILE 62 2.900 7.829 -1.499 470 HG22 ILE 62 HG22 ILE 62 1.297 7.140 -1.767 471 HG23 ILE 62 HG23 ILE 62 1.488 8.882 -1.569 472 HD11 ILE 62 HD11 ILE 62 4.882 7.454 -3.698 473 HD12 ILE 62 HD12 ILE 62 4.638 5.722 -3.937 474 HD13 ILE 62 HD13 ILE 62 4.140 6.479 -2.423 475 H SER 63 HN SER 63 -1.262 8.799 -2.741 476 HA SER 63 HA SER 63 -0.686 11.590 -2.049 477 HB2 SER 63 HB2 SER 63 -2.340 11.673 -3.918 478 HB3 SER 63 HB1 SER 63 -3.394 10.558 -3.053 479 HG SER 63 HG SER 63 -3.915 12.857 -2.905 480 H ALA 64 HN ALA 64 -2.457 12.147 -0.185 481 HA ALA 64 HA ALA 64 -2.325 10.200 1.909 482 HB1 ALA 64 HB1 ALA 64 -3.885 11.673 3.129 483 HB2 ALA 64 HB2 ALA 64 -4.166 12.609 1.659 484 HB3 ALA 64 HB3 ALA 64 -2.568 12.599 2.408 485 H GLN 65 HN GLN 65 -4.544 10.892 -0.679 486 HA GLN 65 HA GLN 65 -6.772 9.295 0.030 487 HB2 GLN 65 HB2 GLN 65 -5.769 9.912 -2.775 488 HB3 GLN 65 HB1 GLN 65 -7.403 9.439 -2.328 489 HG2 GLN 65 HG2 GLN 65 -6.014 12.057 -1.702 490 HG3 GLN 65 HG1 GLN 65 -7.368 11.801 -2.799 491 HE21 GLN 65 HE21 GLN 65 -6.392 12.158 0.509 492 HE22 GLN 65 HE22 GLN 65 -7.971 12.266 1.191 493 H THR 66 HN THR 66 -3.590 8.380 -0.957 494 HA THR 66 HA THR 66 -4.216 5.705 -1.798 495 HB THR 66 HB THR 66 -1.595 6.895 -0.781 496 HG1 THR 66 HG1 THR 66 -2.857 6.824 -3.281 497 HG21 THR 66 HG21 THR 66 -0.487 4.992 -1.917 498 HG22 THR 66 HG22 THR 66 -2.065 4.299 -2.300 499 HG23 THR 66 HG23 THR 66 -1.545 4.434 -0.620 500 H PHE 67 HN PHE 67 -3.128 7.243 1.241 501 HA PHE 67 HA PHE 67 -2.985 4.674 2.620 502 HB2 PHE 67 HB2 PHE 67 -2.331 7.493 3.546 503 HB3 PHE 67 HB1 PHE 67 -2.108 6.048 4.533 504 HD1 PHE 67 HD1 PHE 67 -0.323 4.425 4.021 505 HD2 PHE 67 HD2 PHE 67 -0.880 7.920 1.600 506 HE1 PHE 67 HE1 PHE 67 1.871 4.073 2.976 507 HE2 PHE 67 HE2 PHE 67 1.321 7.553 0.582 508 HZ PHE 67 HZ PHE 67 2.690 5.629 1.263 509 H GLU 68 HN GLU 68 -5.595 6.444 1.930 510 HA GLU 68 HA GLU 68 -7.008 6.685 4.343 511 HB2 GLU 68 HB2 GLU 68 -9.081 6.561 2.959 512 HB3 GLU 68 HB1 GLU 68 -7.889 7.681 2.314 513 HG2 GLU 68 HG2 GLU 68 -7.256 6.115 0.584 514 HG3 GLU 68 HG1 GLU 68 -8.273 4.862 1.289 515 H THR 69 HN THR 69 -6.664 3.862 2.155 516 HA THR 69 HA THR 69 -7.338 2.045 4.350 517 HB THR 69 HB THR 69 -9.526 2.548 3.324 518 HG1 THR 69 HG1 THR 69 -9.450 0.476 4.055 519 HG21 THR 69 HG21 THR 69 -10.055 1.895 1.011 520 HG22 THR 69 HG22 THR 69 -8.369 1.454 0.734 521 HG23 THR 69 HG23 THR 69 -8.806 3.138 1.042 522 H LEU 70 HN LEU 70 -7.000 -0.214 3.794 523 HA LEU 70 HA LEU 70 -4.474 -0.783 2.717 524 HB2 LEU 70 HB2 LEU 70 -5.626 -2.154 4.469 525 HB3 LEU 70 HB1 LEU 70 -6.790 -2.694 3.268 526 HG LEU 70 HG LEU 70 -4.857 -3.756 1.987 527 HD11 LEU 70 HD11 LEU 70 -3.032 -2.442 2.909 528 HD12 LEU 70 HD12 LEU 70 -2.758 -4.163 3.158 529 HD13 LEU 70 HD13 LEU 70 -3.294 -3.154 4.504 530 HD21 LEU 70 HD21 LEU 70 -5.372 -4.804 4.796 531 HD22 LEU 70 HD22 LEU 70 -4.634 -5.724 3.478 532 HD23 LEU 70 HD23 LEU 70 -6.298 -5.172 3.337 533 H GLY 71 HN GLY 71 -7.718 -0.994 1.404 534 HA2 GLY 71 HA2 GLY 71 -7.258 -2.592 -0.879 535 HA3 GLY 71 HA1 GLY 71 -8.607 -1.495 -0.644 536 H SER 72 HN SER 72 -6.954 0.876 -0.338 537 HA SER 72 HA SER 72 -6.614 1.613 -3.066 538 HB2 SER 72 HB2 SER 72 -5.803 3.081 -0.525 539 HB3 SER 72 HB1 SER 72 -5.802 3.785 -2.146 540 HG SER 72 HG SER 72 -7.768 4.311 -1.534 541 H LEU 73 HN LEU 73 -4.177 1.190 -0.364 542 HA LEU 73 HA LEU 73 -1.809 1.433 -1.787 543 HB2 LEU 73 HB2 LEU 73 -2.574 -0.288 0.588 544 HB3 LEU 73 HB1 LEU 73 -0.983 -0.473 -0.125 545 HG LEU 73 HG LEU 73 -0.840 0.946 1.828 546 HD11 LEU 73 HD11 LEU 73 0.701 1.443 0.009 547 HD12 LEU 73 HD12 LEU 73 0.267 2.913 0.877 548 HD13 LEU 73 HD13 LEU 73 -0.463 2.571 -0.694 549 HD21 LEU 73 HD21 LEU 73 -3.140 1.794 1.871 550 HD22 LEU 73 HD22 LEU 73 -2.794 2.824 0.479 551 HD23 LEU 73 HD23 LEU 73 -1.962 3.097 2.013 552 H ALA 74 HN ALA 74 -3.824 -1.415 -1.371 553 HA ALA 74 HA ALA 74 -2.236 -3.309 -2.694 554 HB1 ALA 74 HB1 ALA 74 -4.218 -4.729 -2.628 555 HB2 ALA 74 HB2 ALA 74 -5.228 -3.332 -2.235 556 HB3 ALA 74 HB3 ALA 74 -4.007 -3.886 -1.089 557 H LEU 75 HN LEU 75 -4.832 -1.170 -3.823 558 HA LEU 75 HA LEU 75 -5.161 -2.203 -6.431 559 HB2 LEU 75 HB2 LEU 75 -6.473 -0.309 -4.941 560 HB3 LEU 75 HB1 LEU 75 -5.577 0.744 -6.009 561 HG LEU 75 HG LEU 75 -7.822 0.398 -6.888 562 HD11 LEU 75 HD11 LEU 75 -6.070 0.632 -8.580 563 HD12 LEU 75 HD12 LEU 75 -7.368 -0.414 -9.146 564 HD13 LEU 75 HD13 LEU 75 -5.844 -1.122 -8.610 565 HD21 LEU 75 HD21 LEU 75 -8.337 -1.729 -5.794 566 HD22 LEU 75 HD22 LEU 75 -7.231 -2.577 -6.877 567 HD23 LEU 75 HD23 LEU 75 -8.685 -1.808 -7.520 568 H PHE 76 HN PHE 76 -3.129 0.435 -5.148 569 HA PHE 76 HA PHE 76 -1.995 1.269 -7.591 570 HB2 PHE 76 HB2 PHE 76 -1.079 1.629 -4.714 571 HB3 PHE 76 HB1 PHE 76 -0.142 2.266 -6.063 572 HD1 PHE 76 HD1 PHE 76 -1.368 3.839 -7.731 573 HD2 PHE 76 HD2 PHE 76 -2.876 2.939 -3.840 574 HE1 PHE 76 HE1 PHE 76 -2.789 5.845 -7.812 575 HE2 PHE 76 HE2 PHE 76 -4.293 4.944 -3.929 576 HZ PHE 76 HZ PHE 76 -4.249 6.402 -5.913 577 H VAL 77 HN VAL 77 -0.812 -1.113 -5.160 578 HA VAL 77 HA VAL 77 1.528 -1.731 -6.715 579 HB VAL 77 HB VAL 77 1.971 -3.595 -5.199 580 HG11 VAL 77 HG11 VAL 77 2.217 -2.289 -3.110 581 HG12 VAL 77 HG12 VAL 77 1.131 -1.057 -3.756 582 HG13 VAL 77 HG13 VAL 77 2.688 -1.358 -4.534 583 HG21 VAL 77 HG21 VAL 77 -0.673 -2.947 -3.859 584 HG22 VAL 77 HG22 VAL 77 0.515 -4.135 -3.313 585 HG23 VAL 77 HG23 VAL 77 -0.344 -4.381 -4.835 586 H GLU 78 HN GLU 78 -1.798 -3.002 -6.826 587 HA GLU 78 HA GLU 78 -1.355 -5.239 -8.486 588 HB2 GLU 78 HB2 GLU 78 -3.606 -3.204 -8.882 589 HB3 GLU 78 HB1 GLU 78 -3.539 -4.812 -9.585 590 HG2 GLU 78 HG2 GLU 78 -3.947 -4.081 -6.694 591 HG3 GLU 78 HG1 GLU 78 -5.110 -4.814 -7.788 592 H HIS 79 HN HIS 79 -1.777 -1.790 -9.305 593 HA HIS 79 HA HIS 79 -1.330 -1.830 -12.054 594 HB2 HIS 79 HB2 HIS 79 -0.684 0.325 -10.003 595 HB3 HIS 79 HB1 HIS 79 -0.462 0.582 -11.724 596 HD1 HIS 79 HD1 HIS 79 -2.678 0.590 -13.198 597 HD2 HIS 79 HD2 HIS 79 -3.262 0.758 -9.094 598 HE1 HIS 79 HE1 HIS 79 -5.019 1.431 -12.884 599 HE2 HIS 79 HE2 HIS 79 -5.259 1.727 -10.403 600 H LYS 80 HN LYS 80 1.096 -1.482 -9.444 601 HA LYS 80 HA LYS 80 3.262 -0.872 -11.190 602 HB2 LYS 80 HB2 LYS 80 3.489 -1.940 -8.349 603 HB3 LYS 80 HB1 LYS 80 4.712 -1.039 -9.238 604 HG2 LYS 80 HG2 LYS 80 2.109 -0.024 -8.090 605 HG3 LYS 80 HG1 LYS 80 3.746 0.471 -7.676 606 HD2 LYS 80 HD2 LYS 80 2.377 0.995 -10.337 607 HD3 LYS 80 HD1 LYS 80 2.518 2.157 -9.024 608 HE2 LYS 80 HE2 LYS 80 4.976 2.129 -9.255 609 HE3 LYS 80 HE1 LYS 80 4.841 0.946 -10.561 610 HZ1 LYS 80 HZ1 LYS 80 3.713 3.693 -10.592 611 HZ2 LYS 80 HZ2 LYS 80 3.576 2.560 -11.835 612 HZ3 LYS 80 HZ3 LYS 80 5.092 3.184 -11.431 613 H LEU 81 HN LEU 81 2.259 -3.885 -9.620 614 HA LEU 81 HA LEU 81 4.571 -5.355 -10.586 615 HB2 LEU 81 HB2 LEU 81 2.188 -6.105 -8.868 616 HB3 LEU 81 HB1 LEU 81 3.288 -7.331 -9.466 617 HG LEU 81 HG LEU 81 3.852 -6.755 -7.158 618 HD11 LEU 81 HD11 LEU 81 6.232 -6.247 -7.374 619 HD12 LEU 81 HD12 LEU 81 5.987 -5.717 -9.040 620 HD13 LEU 81 HD13 LEU 81 5.711 -7.405 -8.599 621 HD21 LEU 81 HD21 LEU 81 2.996 -4.469 -7.030 622 HD22 LEU 81 HD22 LEU 81 4.290 -3.897 -8.088 623 HD23 LEU 81 HD23 LEU 81 4.671 -4.536 -6.485 624 H SER 82 HN SER 82 1.477 -4.610 -11.849 625 HA SER 82 HA SER 82 1.521 -6.912 -13.719 626 HB2 SER 82 HB2 SER 82 -0.780 -5.054 -13.015 627 HB3 SER 82 HB1 SER 82 -0.874 -6.431 -14.114 628 HG SER 82 HG SER 82 -0.416 -6.430 -11.319 629 H HIS 83 HN HIS 83 2.190 -3.572 -13.588 630 HA HIS 83 HA HIS 83 2.335 -3.424 -16.540 631 HB2 HIS 83 HB2 HIS 83 0.383 -2.072 -15.915 632 HB3 HIS 83 HB1 HIS 83 1.303 -1.229 -14.674 633 HD1 HIS 83 HD1 HIS 83 2.888 0.661 -15.444 634 HD2 HIS 83 HD2 HIS 83 0.858 -1.172 -18.572 635 HE1 HIS 83 HE1 HIS 83 3.265 2.129 -17.439 636 HE2 HIS 83 HE2 HIS 83 1.840 1.122 -19.241 637 H282 PNS 84 H282 PNS 84 7.441 15.455 7.095 638 H281 PNS 84 H281 PNS 84 6.704 14.033 7.822 639 H303 PNS 84 H303 PNS 84 5.866 12.141 6.136 640 H302 PNS 84 H302 PNS 84 5.282 13.338 4.981 641 H301 PNS 84 H301 PNS 84 6.490 12.155 4.485 642 H313 PNS 84 H313 PNS 84 8.859 12.277 5.436 643 H312 PNS 84 H312 PNS 84 9.299 13.570 6.552 644 H311 PNS 84 H311 PNS 84 8.199 12.292 7.075 645 H32 PNS 84 H32 PNS 84 6.833 15.151 4.100 646 H33 PNS 84 H33 PNS 84 9.392 15.730 4.441 647 H36 PNS 84 H36 PNS 84 6.731 12.905 2.939 648 H372 PNS 84 H372 PNS 84 8.236 12.738 0.722 649 H371 PNS 84 H371 PNS 84 9.201 11.812 1.881 650 H382 PNS 84 H382 PNS 84 7.751 10.309 0.621 651 H381 PNS 84 H381 PNS 84 7.275 10.336 2.318 652 H41 PNS 84 H41 PNS 84 5.530 9.257 0.731 653 H422 PNS 84 H422 PNS 84 3.615 10.910 -0.557 654 H421 PNS 84 H421 PNS 84 3.417 9.229 -0.089 655 H431 PNS 84 H431 PNS 84 2.954 11.639 1.686 656 H432 PNS 84 H432 PNS 84 2.828 9.954 2.204 657 H44 PNS 84 H44 PNS 84 0.772 11.661 0.107 Start of MODEL 8 1 H MET 1 HT1 MET 1 -9.540 -8.047 -3.969 2 HA MET 1 HA MET 1 -7.552 -8.437 -5.293 3 HB2 MET 1 HB2 MET 1 -8.206 -6.181 -3.768 4 HB3 MET 1 HB1 MET 1 -6.540 -6.449 -3.290 5 HG2 MET 1 HG2 MET 1 -6.595 -4.904 -5.127 6 HG3 MET 1 HG1 MET 1 -5.893 -6.423 -5.698 7 HE1 MET 1 HE1 MET 1 -6.352 -5.789 -8.298 8 HE2 MET 1 HE2 MET 1 -7.008 -4.237 -7.779 9 HE3 MET 1 HE3 MET 1 -7.925 -5.254 -8.890 10 H GLN 2 HN GLN 2 -5.816 -9.821 -5.332 11 HA GLN 2 HA GLN 2 -5.346 -11.514 -3.142 12 HB2 GLN 2 HB2 GLN 2 -3.571 -12.562 -4.571 13 HB3 GLN 2 HB1 GLN 2 -5.129 -12.397 -5.370 14 HG2 GLN 2 HG2 GLN 2 -4.353 -10.846 -6.909 15 HG3 GLN 2 HG1 GLN 2 -3.130 -10.209 -5.816 16 HE21 GLN 2 HE21 GLN 2 -1.854 -12.662 -5.168 17 HE22 GLN 2 HE22 GLN 2 -1.012 -13.200 -6.585 18 H HIS 3 HN HIS 3 -3.525 -8.751 -4.336 19 HA HIS 3 HA HIS 3 -1.115 -9.329 -2.906 20 HB2 HIS 3 HB2 HIS 3 -2.040 -6.867 -4.413 21 HB3 HIS 3 HB1 HIS 3 -0.506 -6.915 -3.556 22 HD1 HIS 3 HD1 HIS 3 -0.722 -10.167 -4.900 23 HD2 HIS 3 HD2 HIS 3 0.013 -6.439 -6.551 24 HE1 HIS 3 HE1 HIS 3 0.416 -10.615 -7.067 25 HE2 HIS 3 HE2 HIS 3 0.663 -8.355 -8.140 26 H LEU 4 HN LEU 4 -4.104 -8.010 -1.871 27 HA LEU 4 HA LEU 4 -3.377 -6.090 0.013 28 HB2 LEU 4 HB2 LEU 4 -5.530 -6.152 0.788 29 HB3 LEU 4 HB1 LEU 4 -5.803 -7.105 -0.655 30 HG LEU 4 HG LEU 4 -5.329 -8.341 2.104 31 HD11 LEU 4 HD11 LEU 4 -7.746 -8.686 2.280 32 HD12 LEU 4 HD12 LEU 4 -7.998 -7.769 0.793 33 HD13 LEU 4 HD13 LEU 4 -7.340 -6.972 2.223 34 HD21 LEU 4 HD21 LEU 4 -6.305 -10.388 1.171 35 HD22 LEU 4 HD22 LEU 4 -4.900 -9.898 0.226 36 HD23 LEU 4 HD23 LEU 4 -6.527 -9.601 -0.394 37 H GLU 5 HN GLU 5 -3.035 -9.536 0.109 38 HA GLU 5 HA GLU 5 -2.669 -10.000 2.874 39 HB2 GLU 5 HB2 GLU 5 -3.164 -11.782 1.189 40 HB3 GLU 5 HB1 GLU 5 -1.577 -11.543 0.475 41 HG2 GLU 5 HG2 GLU 5 -1.520 -13.524 1.840 42 HG3 GLU 5 HG1 GLU 5 -0.522 -12.285 2.597 43 H ALA 6 HN ALA 6 -0.308 -9.610 0.218 44 HA ALA 6 HA ALA 6 2.025 -9.703 1.839 45 HB1 ALA 6 HB1 ALA 6 3.235 -8.997 -0.160 46 HB2 ALA 6 HB2 ALA 6 1.719 -8.557 -0.955 47 HB3 ALA 6 HB3 ALA 6 2.052 -10.243 -0.563 48 H VAL 7 HN VAL 7 -0.049 -7.062 0.739 49 HA VAL 7 HA VAL 7 1.692 -4.909 1.369 50 HB VAL 7 HB VAL 7 -1.365 -4.937 1.179 51 HG11 VAL 7 HG11 VAL 7 -0.533 -3.019 2.517 52 HG12 VAL 7 HG12 VAL 7 -1.215 -2.489 0.989 53 HG13 VAL 7 HG13 VAL 7 0.538 -2.548 1.194 54 HG21 VAL 7 HG21 VAL 7 -0.324 -5.538 -0.965 55 HG22 VAL 7 HG22 VAL 7 0.716 -4.111 -0.898 56 HG23 VAL 7 HG23 VAL 7 -1.036 -3.923 -1.065 57 H ARG 8 HN ARG 8 -1.022 -6.440 3.158 58 HA ARG 8 HA ARG 8 -0.846 -4.703 5.445 59 HB2 ARG 8 HB2 ARG 8 -2.508 -6.119 6.503 60 HB3 ARG 8 HB1 ARG 8 -2.966 -5.833 4.830 61 HG2 ARG 8 HG2 ARG 8 -2.062 -8.106 4.251 62 HG3 ARG 8 HG1 ARG 8 -1.776 -8.383 5.973 63 HD2 ARG 8 HD2 ARG 8 -4.190 -8.088 6.415 64 HD3 ARG 8 HD1 ARG 8 -4.470 -7.805 4.693 65 HE ARG 8 HE ARG 8 -3.188 -10.286 5.002 66 HH11 ARG 8 HH11 ARG 8 -6.286 -8.808 5.768 67 HH12 ARG 8 HH12 ARG 8 -7.168 -10.289 5.612 68 HH21 ARG 8 HH21 ARG 8 -4.365 -12.225 4.838 69 HH22 ARG 8 HH22 ARG 8 -6.087 -12.215 5.053 70 H ASN 9 HN ASN 9 0.618 -7.706 4.480 71 HA ASN 9 HA ASN 9 1.703 -8.582 6.922 72 HB2 ASN 9 HB2 ASN 9 1.729 -10.009 4.958 73 HB3 ASN 9 HB1 ASN 9 2.653 -8.830 4.040 74 HD21 ASN 9 HD21 ASN 9 4.281 -10.208 3.536 75 HD22 ASN 9 HD22 ASN 9 5.397 -10.851 4.680 76 H ILE 10 HN ILE 10 2.975 -6.446 4.379 77 HA ILE 10 HA ILE 10 5.426 -5.712 5.578 78 HB ILE 10 HB ILE 10 3.704 -4.187 3.570 79 HG12 ILE 10 HG12 ILE 10 6.161 -5.922 3.058 80 HG13 ILE 10 HG11 ILE 10 4.502 -6.469 2.842 81 HG21 ILE 10 HG21 ILE 10 5.256 -2.612 4.623 82 HG22 ILE 10 HG22 ILE 10 5.755 -2.921 2.962 83 HG23 ILE 10 HG23 ILE 10 6.617 -3.690 4.297 84 HD11 ILE 10 HD11 ILE 10 5.832 -4.221 1.337 85 HD12 ILE 10 HD12 ILE 10 4.166 -4.770 1.120 86 HD13 ILE 10 HD13 ILE 10 5.509 -5.845 0.734 87 H LEU 11 HN LEU 11 2.222 -4.119 5.615 88 HA LEU 11 HA LEU 11 2.928 -1.764 6.983 89 HB2 LEU 11 HB2 LEU 11 0.249 -3.214 6.957 90 HB3 LEU 11 HB1 LEU 11 0.484 -1.547 7.458 91 HG LEU 11 HG LEU 11 1.055 -2.542 4.641 92 HD11 LEU 11 HD11 LEU 11 -1.085 -1.533 3.981 93 HD12 LEU 11 HD12 LEU 11 -1.450 -1.186 5.674 94 HD13 LEU 11 HD13 LEU 11 -1.310 -2.858 5.122 95 HD21 LEU 11 HD21 LEU 11 1.038 -0.164 4.027 96 HD22 LEU 11 HD22 LEU 11 2.277 -0.494 5.235 97 HD23 LEU 11 HD23 LEU 11 0.768 0.287 5.715 98 H GLY 12 HN GLY 12 1.720 -4.875 8.185 99 HA2 GLY 12 HA2 GLY 12 1.787 -4.155 10.970 100 HA3 GLY 12 HA1 GLY 12 1.530 -5.750 10.293 101 H ASP 13 HN ASP 13 4.144 -5.351 8.699 102 HA ASP 13 HA ASP 13 5.962 -6.407 10.674 103 HB2 ASP 13 HB2 ASP 13 6.013 -7.186 8.326 104 HB3 ASP 13 HB1 ASP 13 6.410 -5.562 7.777 105 H VAL 14 HN VAL 14 5.556 -3.341 8.916 106 HA VAL 14 HA VAL 14 7.925 -2.068 9.925 107 HB VAL 14 HB VAL 14 5.435 -0.825 8.632 108 HG11 VAL 14 HG11 VAL 14 8.179 0.423 9.092 109 HG12 VAL 14 HG12 VAL 14 6.678 0.870 9.903 110 HG13 VAL 14 HG13 VAL 14 6.860 1.161 8.174 111 HG21 VAL 14 HG21 VAL 14 6.754 -0.769 6.547 112 HG22 VAL 14 HG22 VAL 14 6.574 -2.421 7.130 113 HG23 VAL 14 HG23 VAL 14 8.101 -1.571 7.358 114 H LEU 15 HN LEU 15 4.445 -1.610 10.506 115 HA LEU 15 HA LEU 15 4.904 0.271 12.667 116 HB2 LEU 15 HB2 LEU 15 2.284 -0.790 11.574 117 HB3 LEU 15 HB1 LEU 15 2.493 0.627 12.588 118 HG LEU 15 HG LEU 15 3.401 0.317 9.698 119 HD11 LEU 15 HD11 LEU 15 1.250 2.096 10.882 120 HD12 LEU 15 HD12 LEU 15 0.982 0.636 9.927 121 HD13 LEU 15 HD13 LEU 15 1.746 2.039 9.187 122 HD21 LEU 15 HD21 LEU 15 3.754 2.711 11.535 123 HD22 LEU 15 HD22 LEU 15 4.117 2.668 9.807 124 HD23 LEU 15 HD23 LEU 15 5.040 1.664 10.922 125 H ASN 16 HN ASN 16 4.675 -3.074 12.473 126 HA ASN 16 HA ASN 16 4.813 -4.702 13.991 127 HB2 ASN 16 HB2 ASN 16 6.321 -3.010 15.135 128 HB3 ASN 16 HB1 ASN 16 4.957 -2.557 16.149 129 HD21 ASN 16 HD21 ASN 16 7.259 -5.075 15.387 130 HD22 ASN 16 HD22 ASN 16 7.050 -5.992 16.833 131 H LEU 17 HN LEU 17 2.407 -4.581 13.093 132 HA LEU 17 HA LEU 17 0.369 -4.319 15.154 133 HB2 LEU 17 HB2 LEU 17 0.280 -5.043 12.210 134 HB3 LEU 17 HB1 LEU 17 -1.118 -5.327 13.226 135 HG LEU 17 HG LEU 17 -1.293 -2.914 13.723 136 HD11 LEU 17 HD11 LEU 17 1.045 -2.245 13.588 137 HD12 LEU 17 HD12 LEU 17 0.038 -1.237 12.554 138 HD13 LEU 17 HD13 LEU 17 1.040 -2.507 11.844 139 HD21 LEU 17 HD21 LEU 17 -2.025 -2.139 11.509 140 HD22 LEU 17 HD22 LEU 17 -2.530 -3.801 11.799 141 HD23 LEU 17 HD23 LEU 17 -1.156 -3.471 10.741 142 H GLY 18 HN GLY 18 2.237 -6.867 13.632 143 HA2 GLY 18 HA2 GLY 18 2.680 -9.009 14.345 144 HA3 GLY 18 HA1 GLY 18 1.610 -8.754 15.712 145 H GLU 19 HN GLU 19 -0.462 -9.498 15.615 146 HA GLU 19 HA GLU 19 -1.225 -11.230 13.361 147 HB2 GLU 19 HB2 GLU 19 -2.774 -12.296 14.826 148 HB3 GLU 19 HB1 GLU 19 -1.309 -12.085 15.766 149 HG2 GLU 19 HG2 GLU 19 -3.710 -10.235 15.962 150 HG3 GLU 19 HG1 GLU 19 -3.500 -11.654 16.976 151 H ARG 20 HN ARG 20 -1.933 -8.180 14.776 152 HA ARG 20 HA ARG 20 -4.670 -7.857 14.118 153 HB2 ARG 20 HB2 ARG 20 -3.322 -6.487 15.798 154 HB3 ARG 20 HB1 ARG 20 -2.623 -5.615 14.447 155 HG2 ARG 20 HG2 ARG 20 -5.628 -5.689 14.855 156 HG3 ARG 20 HG1 ARG 20 -4.626 -4.556 15.758 157 HD2 ARG 20 HD2 ARG 20 -3.930 -3.444 13.748 158 HD3 ARG 20 HD1 ARG 20 -4.613 -4.704 12.725 159 HE ARG 20 HE ARG 20 -6.003 -2.508 13.985 160 HH11 ARG 20 HH11 ARG 20 -6.407 -5.650 12.442 161 HH12 ARG 20 HH12 ARG 20 -8.053 -5.336 11.994 162 HH21 ARG 20 HH21 ARG 20 -8.149 -2.134 13.417 163 HH22 ARG 20 HH22 ARG 20 -9.046 -3.348 12.557 164 H LYS 21 HN LYS 21 -1.733 -7.430 12.282 165 HA LYS 21 HA LYS 21 -2.670 -5.869 10.140 166 HB2 LYS 21 HB2 LYS 21 -0.684 -6.551 8.950 167 HB3 LYS 21 HB1 LYS 21 -0.282 -6.235 10.633 168 HG2 LYS 21 HG2 LYS 21 -0.262 -8.629 11.101 169 HG3 LYS 21 HG1 LYS 21 -0.716 -8.981 9.433 170 HD2 LYS 21 HD2 LYS 21 1.438 -7.795 8.742 171 HD3 LYS 21 HD1 LYS 21 1.881 -7.784 10.453 172 HE2 LYS 21 HE2 LYS 21 1.676 -10.249 10.491 173 HE3 LYS 21 HE1 LYS 21 1.305 -10.223 8.765 174 HZ1 LYS 21 HZ1 LYS 21 3.612 -10.725 9.038 175 HZ2 LYS 21 HZ2 LYS 21 3.853 -9.402 10.061 176 HZ3 LYS 21 HZ3 LYS 21 3.508 -9.153 8.422 177 H HIS 22 HN HIS 22 -2.975 -9.299 10.796 178 HA HIS 22 HA HIS 22 -3.640 -9.967 8.023 179 HB2 HIS 22 HB2 HIS 22 -2.105 -11.416 9.326 180 HB3 HIS 22 HB1 HIS 22 -3.384 -11.732 10.490 181 HD1 HIS 22 HD1 HIS 22 -2.502 -12.410 6.858 182 HD2 HIS 22 HD2 HIS 22 -5.019 -13.859 9.829 183 HE1 HIS 22 HE1 HIS 22 -3.489 -14.525 5.938 184 HE2 HIS 22 HE2 HIS 22 -4.785 -15.508 7.854 185 H THR 23 HN THR 23 -5.280 -9.149 10.927 186 HA THR 23 HA THR 23 -7.813 -10.447 10.151 187 HB THR 23 HB THR 23 -7.083 -10.639 12.536 188 HG1 THR 23 HG1 THR 23 -9.498 -9.148 12.206 189 HG21 THR 23 HG21 THR 23 -6.054 -8.414 12.841 190 HG22 THR 23 HG22 THR 23 -7.289 -8.723 14.057 191 HG23 THR 23 HG23 THR 23 -7.648 -7.658 12.698 192 H LEU 24 HN LEU 24 -6.268 -7.595 9.451 193 HA LEU 24 HA LEU 24 -8.792 -6.097 9.165 194 HB2 LEU 24 HB2 LEU 24 -7.462 -4.098 8.729 195 HB3 LEU 24 HB1 LEU 24 -7.058 -4.828 10.255 196 HG LEU 24 HG LEU 24 -4.967 -5.788 9.041 197 HD11 LEU 24 HD11 LEU 24 -4.128 -4.498 7.138 198 HD12 LEU 24 HD12 LEU 24 -5.650 -3.603 7.060 199 HD13 LEU 24 HD13 LEU 24 -5.626 -5.338 6.727 200 HD21 LEU 24 HD21 LEU 24 -3.680 -3.743 9.464 201 HD22 LEU 24 HD22 LEU 24 -4.851 -4.027 10.749 202 HD23 LEU 24 HD23 LEU 24 -5.172 -2.799 9.522 203 H THR 25 HN THR 25 -9.355 -5.191 7.090 204 HA THR 25 HA THR 25 -8.566 -6.989 4.865 205 HB THR 25 HB THR 25 -10.943 -6.935 4.111 206 HG1 THR 25 HG1 THR 25 -11.485 -5.579 6.576 207 HG21 THR 25 HG21 THR 25 -11.950 -8.339 5.868 208 HG22 THR 25 HG22 THR 25 -10.710 -7.825 7.013 209 HG23 THR 25 HG23 THR 25 -10.266 -8.790 5.604 210 H ALA 26 HN ALA 26 -9.883 -5.941 2.779 211 HA ALA 26 HA ALA 26 -8.410 -3.673 2.009 212 HB1 ALA 26 HB1 ALA 26 -10.934 -4.797 0.751 213 HB2 ALA 26 HB2 ALA 26 -9.286 -5.325 0.414 214 HB3 ALA 26 HB3 ALA 26 -9.789 -3.693 -0.017 215 H SER 27 HN SER 27 -11.436 -3.906 3.711 216 HA SER 27 HA SER 27 -12.317 -1.194 3.087 217 HB2 SER 27 HB2 SER 27 -13.982 -3.041 3.268 218 HB3 SER 27 HB1 SER 27 -13.546 -3.265 4.958 219 HG SER 27 HG SER 27 -14.107 -0.719 4.738 220 H SER 28 HN SER 28 -10.320 -2.709 5.478 221 HA SER 28 HA SER 28 -10.905 -0.893 7.658 222 HB2 SER 28 HB2 SER 28 -8.949 -1.962 8.784 223 HB3 SER 28 HB1 SER 28 -10.094 -3.153 8.172 224 HG SER 28 HG SER 28 -8.150 -2.490 6.368 225 H VAL 29 HN VAL 29 -9.937 0.978 8.111 226 HA VAL 29 HA VAL 29 -8.467 2.314 6.003 227 HB VAL 29 HB VAL 29 -9.608 3.372 8.640 228 HG11 VAL 29 HG11 VAL 29 -9.452 5.626 7.652 229 HG12 VAL 29 HG12 VAL 29 -8.702 4.952 6.204 230 HG13 VAL 29 HG13 VAL 29 -7.858 4.871 7.752 231 HG21 VAL 29 HG21 VAL 29 -11.374 2.426 7.211 232 HG22 VAL 29 HG22 VAL 29 -10.842 3.420 5.856 233 HG23 VAL 29 HG23 VAL 29 -11.523 4.182 7.292 234 H LEU 30 HN LEU 30 -6.404 3.167 6.223 235 HA LEU 30 HA LEU 30 -4.750 2.180 8.447 236 HB2 LEU 30 HB2 LEU 30 -3.858 3.272 5.757 237 HB3 LEU 30 HB1 LEU 30 -2.833 2.506 6.967 238 HG LEU 30 HG LEU 30 -5.034 1.124 5.378 239 HD11 LEU 30 HD11 LEU 30 -3.214 -0.045 4.239 240 HD12 LEU 30 HD12 LEU 30 -2.032 0.920 5.125 241 HD13 LEU 30 HD13 LEU 30 -3.134 1.698 3.986 242 HD21 LEU 30 HD21 LEU 30 -4.204 -0.986 6.354 243 HD22 LEU 30 HD22 LEU 30 -4.811 0.089 7.609 244 HD23 LEU 30 HD23 LEU 30 -3.070 -0.092 7.370 245 H LEU 31 HN LEU 31 -4.630 5.011 6.281 246 HA LEU 31 HA LEU 31 -3.207 6.683 7.936 247 HB2 LEU 31 HB2 LEU 31 -3.904 6.798 5.386 248 HB3 LEU 31 HB1 LEU 31 -5.190 7.832 5.970 249 HG LEU 31 HG LEU 31 -2.237 8.393 6.470 250 HD11 LEU 31 HD11 LEU 31 -2.614 8.361 4.062 251 HD12 LEU 31 HD12 LEU 31 -2.303 9.997 4.633 252 HD13 LEU 31 HD13 LEU 31 -3.950 9.505 4.237 253 HD21 LEU 31 HD21 LEU 31 -2.961 10.696 6.941 254 HD22 LEU 31 HD22 LEU 31 -3.737 9.556 8.037 255 HD23 LEU 31 HD23 LEU 31 -4.647 10.234 6.683 256 H GLY 32 HN GLY 32 -3.675 7.501 9.864 257 HA2 GLY 32 HA2 GLY 32 -4.732 8.820 11.433 258 HA3 GLY 32 HA1 GLY 32 -6.146 8.926 10.399 259 H ASN 33 HN ASN 33 -6.069 5.841 10.287 260 HA ASN 33 HA ASN 33 -7.854 5.451 12.565 261 HB2 ASN 33 HB2 ASN 33 -8.606 4.811 10.321 262 HB3 ASN 33 HB1 ASN 33 -7.232 3.728 10.133 263 HD21 ASN 33 HD21 ASN 33 -7.312 1.689 11.073 264 HD22 ASN 33 HD22 ASN 33 -8.728 1.055 11.827 265 H ILE 34 HN ILE 34 -5.005 3.841 11.131 266 HA ILE 34 HA ILE 34 -4.478 2.208 13.442 267 HB ILE 34 HB ILE 34 -2.542 2.925 11.195 268 HG12 ILE 34 HG12 ILE 34 -4.525 1.866 10.195 269 HG13 ILE 34 HG11 ILE 34 -3.188 0.729 10.141 270 HG21 ILE 34 HG21 ILE 34 -2.440 0.644 13.194 271 HG22 ILE 34 HG22 ILE 34 -1.368 2.044 13.130 272 HG23 ILE 34 HG23 ILE 34 -1.332 0.850 11.831 273 HD11 ILE 34 HD11 ILE 34 -5.244 -0.389 10.713 274 HD12 ILE 34 HD12 ILE 34 -5.503 0.682 12.085 275 HD13 ILE 34 HD13 ILE 34 -4.149 -0.455 12.093 276 HA PRO 35 HA PRO 35 -2.801 5.767 15.675 277 HB2 PRO 35 HB2 PRO 35 -1.976 4.488 17.963 278 HB3 PRO 35 HB1 PRO 35 -3.673 4.840 17.610 279 HG2 PRO 35 HG2 PRO 35 -2.153 2.266 17.247 280 HG3 PRO 35 HG1 PRO 35 -3.794 2.521 17.877 281 HD2 PRO 35 HD2 PRO 35 -3.297 1.701 15.316 282 HD3 PRO 35 HD1 PRO 35 -4.719 2.664 15.751 283 H GLU 36 HN GLU 36 -0.923 3.146 14.495 284 HA GLU 36 HA GLU 36 1.644 4.364 15.178 285 HB2 GLU 36 HB2 GLU 36 0.858 1.856 13.656 286 HB3 GLU 36 HB1 GLU 36 2.523 2.420 13.736 287 HG2 GLU 36 HG2 GLU 36 0.806 1.637 16.108 288 HG3 GLU 36 HG1 GLU 36 2.078 0.656 15.382 289 H LEU 37 HN LEU 37 -0.626 4.232 12.518 290 HA LEU 37 HA LEU 37 1.213 5.152 10.495 291 HB2 LEU 37 HB2 LEU 37 -1.013 3.793 10.173 292 HB3 LEU 37 HB1 LEU 37 -1.809 5.347 10.266 293 HG LEU 37 HG LEU 37 -1.538 4.631 7.929 294 HD11 LEU 37 HD11 LEU 37 0.265 7.003 8.462 295 HD12 LEU 37 HD12 LEU 37 -1.496 7.049 8.386 296 HD13 LEU 37 HD13 LEU 37 -0.570 6.619 6.953 297 HD21 LEU 37 HD21 LEU 37 0.669 4.416 6.865 298 HD22 LEU 37 HD22 LEU 37 0.440 3.222 8.140 299 HD23 LEU 37 HD23 LEU 37 1.452 4.638 8.432 300 H ASP 38 HN ASP 38 2.158 6.986 11.321 301 HA ASP 38 HA ASP 38 0.574 9.479 11.156 302 HB2 ASP 38 HB2 ASP 38 1.444 8.877 13.509 303 HB3 ASP 38 HB1 ASP 38 3.078 9.015 12.869 304 H SER 39 HN SER 39 2.777 11.220 10.934 305 HA SER 39 HA SER 39 3.404 11.491 8.356 306 HB2 SER 39 HB2 SER 39 4.932 12.261 10.858 307 HB3 SER 39 HB1 SER 39 5.575 12.678 9.270 308 H MET 40 HN MET 40 5.894 10.179 10.573 309 HA MET 40 HA MET 40 7.611 9.522 8.394 310 HB2 MET 40 HB2 MET 40 7.852 8.861 11.347 311 HB3 MET 40 HB1 MET 40 9.114 8.592 10.141 312 HG2 MET 40 HG2 MET 40 7.938 11.270 10.936 313 HG3 MET 40 HG1 MET 40 9.545 10.659 11.353 314 HE1 MET 40 HE1 MET 40 10.586 12.983 10.342 315 HE2 MET 40 HE2 MET 40 8.966 13.525 9.904 316 HE3 MET 40 HE3 MET 40 10.257 13.545 8.705 317 H ALA 41 HN ALA 41 5.246 7.778 10.237 318 HA ALA 41 HA ALA 41 5.852 5.135 9.538 319 HB1 ALA 41 HB1 ALA 41 3.484 4.645 9.931 320 HB2 ALA 41 HB2 ALA 41 3.110 6.370 9.891 321 HB3 ALA 41 HB3 ALA 41 4.127 5.716 11.174 322 H VAL 42 HN VAL 42 3.999 7.647 7.710 323 HA VAL 42 HA VAL 42 3.218 5.927 5.592 324 HB VAL 42 HB VAL 42 2.502 7.734 4.286 325 HG11 VAL 42 HG11 VAL 42 1.264 9.253 5.780 326 HG12 VAL 42 HG12 VAL 42 2.257 8.719 7.135 327 HG13 VAL 42 HG13 VAL 42 1.195 7.574 6.318 328 HG21 VAL 42 HG21 VAL 42 4.579 9.049 4.096 329 HG22 VAL 42 HG22 VAL 42 4.350 9.686 5.719 330 HG23 VAL 42 HG23 VAL 42 3.209 10.105 4.443 331 H VAL 43 HN VAL 43 6.080 7.938 6.117 332 HA VAL 43 HA VAL 43 7.226 7.693 3.517 333 HB VAL 43 HB VAL 43 8.766 8.082 6.122 334 HG11 VAL 43 HG11 VAL 43 10.363 9.383 4.769 335 HG12 VAL 43 HG12 VAL 43 9.421 9.050 3.313 336 HG13 VAL 43 HG13 VAL 43 10.222 7.729 4.169 337 HG21 VAL 43 HG21 VAL 43 8.386 10.525 5.827 338 HG22 VAL 43 HG22 VAL 43 6.899 9.621 6.130 339 HG23 VAL 43 HG23 VAL 43 7.272 10.173 4.494 340 H ASN 44 HN ASN 44 7.735 5.919 6.514 341 HA ASN 44 HA ASN 44 9.645 4.042 5.761 342 HB2 ASN 44 HB2 ASN 44 7.577 4.182 7.938 343 HB3 ASN 44 HB1 ASN 44 8.378 2.631 7.685 344 HD21 ASN 44 HD21 ASN 44 8.558 5.524 9.335 345 HD22 ASN 44 HD22 ASN 44 10.214 5.452 9.808 346 H VAL 45 HN VAL 45 6.093 3.767 5.605 347 HA VAL 45 HA VAL 45 6.203 1.029 4.713 348 HB VAL 45 HB VAL 45 3.728 1.196 4.418 349 HG11 VAL 45 HG11 VAL 45 3.179 1.373 6.826 350 HG12 VAL 45 HG12 VAL 45 4.743 2.130 7.136 351 HG13 VAL 45 HG13 VAL 45 4.667 0.461 6.574 352 HG21 VAL 45 HG21 VAL 45 4.059 4.035 5.432 353 HG22 VAL 45 HG22 VAL 45 2.521 3.186 5.244 354 HG23 VAL 45 HG23 VAL 45 3.505 3.555 3.830 355 H ILE 46 HN ILE 46 6.052 4.159 3.062 356 HA ILE 46 HA ILE 46 5.359 3.196 0.468 357 HB ILE 46 HB ILE 46 7.207 5.535 1.177 358 HG12 ILE 46 HG12 ILE 46 4.290 5.643 0.283 359 HG13 ILE 46 HG11 ILE 46 4.776 5.671 1.971 360 HG21 ILE 46 HG21 ILE 46 6.819 6.351 -1.143 361 HG22 ILE 46 HG22 ILE 46 5.909 4.883 -1.509 362 HG23 ILE 46 HG23 ILE 46 7.631 4.785 -1.138 363 HD11 ILE 46 HD11 ILE 46 5.476 7.739 -0.124 364 HD12 ILE 46 HD12 ILE 46 5.958 7.788 1.576 365 HD13 ILE 46 HD13 ILE 46 4.254 7.891 1.138 366 H THR 47 HN THR 47 8.492 3.818 2.023 367 HA THR 47 HA THR 47 10.229 2.831 0.071 368 HB THR 47 HB THR 47 10.666 2.748 3.094 369 HG1 THR 47 HG1 THR 47 10.165 4.841 1.755 370 HG21 THR 47 HG21 THR 47 13.085 2.901 2.542 371 HG22 THR 47 HG22 THR 47 12.702 2.798 0.823 372 HG23 THR 47 HG23 THR 47 12.374 1.428 1.881 373 H ALA 48 HN ALA 48 8.739 1.165 2.819 374 HA ALA 48 HA ALA 48 10.005 -1.334 2.564 375 HB1 ALA 48 HB1 ALA 48 8.924 -0.573 4.638 376 HB2 ALA 48 HB2 ALA 48 8.290 -2.142 4.129 377 HB3 ALA 48 HB3 ALA 48 7.342 -0.678 3.858 378 H LEU 49 HN LEU 49 6.804 -0.217 1.374 379 HA LEU 49 HA LEU 49 5.900 -2.554 0.134 380 HB2 LEU 49 HB2 LEU 49 5.295 0.355 -0.136 381 HB3 LEU 49 HB1 LEU 49 4.934 -0.564 -1.574 382 HG LEU 49 HG LEU 49 2.933 -0.250 -0.161 383 HD11 LEU 49 HD11 LEU 49 2.142 -2.556 -0.132 384 HD12 LEU 49 HD12 LEU 49 3.799 -3.148 -0.279 385 HD13 LEU 49 HD13 LEU 49 3.070 -2.224 -1.593 386 HD21 LEU 49 HD21 LEU 49 3.935 -0.171 2.057 387 HD22 LEU 49 HD22 LEU 49 4.387 -1.871 1.947 388 HD23 LEU 49 HD23 LEU 49 2.684 -1.412 2.000 389 H GLU 50 HN GLU 50 7.997 0.010 -1.124 390 HA GLU 50 HA GLU 50 8.445 -0.975 -3.721 391 HB2 GLU 50 HB2 GLU 50 10.294 0.718 -1.993 392 HB3 GLU 50 HB1 GLU 50 10.435 0.518 -3.741 393 HG2 GLU 50 HG2 GLU 50 8.213 1.555 -4.036 394 HG3 GLU 50 HG1 GLU 50 8.077 1.761 -2.297 395 H GLU 51 HN GLU 51 10.249 -1.574 -0.718 396 HA GLU 51 HA GLU 51 12.421 -2.985 -1.843 397 HB2 GLU 51 HB2 GLU 51 11.299 -3.148 0.989 398 HB3 GLU 51 HB1 GLU 51 12.857 -3.788 0.487 399 HG2 GLU 51 HG2 GLU 51 12.031 -0.881 0.606 400 HG3 GLU 51 HG1 GLU 51 13.196 -1.702 1.637 401 H TYR 52 HN TYR 52 9.500 -4.227 -0.187 402 HA TYR 52 HA TYR 52 10.199 -6.968 -0.477 403 HB2 TYR 52 HB2 TYR 52 7.570 -5.652 0.271 404 HB3 TYR 52 HB1 TYR 52 7.810 -7.395 0.285 405 HD1 TYR 52 HD1 TYR 52 9.559 -8.378 1.875 406 HD2 TYR 52 HD2 TYR 52 8.284 -4.320 2.148 407 HE1 TYR 52 HE1 TYR 52 10.414 -8.253 4.174 408 HE2 TYR 52 HE2 TYR 52 9.142 -4.194 4.433 409 HH TYR 52 HH TYR 52 11.174 -6.556 5.757 410 H PHE 53 HN PHE 53 7.948 -4.857 -2.343 411 HA PHE 53 HA PHE 53 7.158 -7.056 -4.087 412 HB2 PHE 53 HB2 PHE 53 6.456 -4.120 -3.976 413 HB3 PHE 53 HB1 PHE 53 6.018 -5.087 -5.371 414 HD1 PHE 53 HD2 PHE 53 5.448 -4.709 -1.698 415 HD2 PHE 53 HD1 PHE 53 4.138 -6.567 -5.313 416 HE1 PHE 53 HE2 PHE 53 3.353 -5.406 -0.602 417 HE2 PHE 53 HE1 PHE 53 2.060 -7.257 -4.210 418 HZ PHE 53 HZ PHE 53 1.663 -6.676 -1.853 419 H ASP 54 HN ASP 54 9.767 -4.860 -4.018 420 HA ASP 54 HA ASP 54 11.590 -4.589 -5.289 421 HB2 ASP 54 HB2 ASP 54 10.506 -6.958 -6.882 422 HB3 ASP 54 HB1 ASP 54 12.093 -6.251 -7.160 423 H PHE 55 HN PHE 55 9.417 -2.954 -5.744 424 HA PHE 55 HA PHE 55 9.914 -2.156 -8.557 425 HB2 PHE 55 HB2 PHE 55 7.581 -1.263 -8.692 426 HB3 PHE 55 HB1 PHE 55 7.638 -3.005 -8.505 427 HD1 PHE 55 HD1 PHE 55 7.846 -0.501 -5.683 428 HD2 PHE 55 HD2 PHE 55 5.444 -3.377 -7.702 429 HE1 PHE 55 HE1 PHE 55 6.159 -0.307 -3.939 430 HE2 PHE 55 HE2 PHE 55 3.752 -3.180 -5.939 431 HZ PHE 55 HZ PHE 55 4.107 -1.634 -4.052 432 H SER 56 HN SER 56 8.918 0.318 -8.637 433 HA SER 56 HA SER 56 9.599 1.728 -6.119 434 HB2 SER 56 HB2 SER 56 11.429 2.036 -7.796 435 HB3 SER 56 HB1 SER 56 10.266 2.711 -8.934 436 HG SER 56 HG SER 56 10.710 3.787 -6.342 437 H VAL 57 HN VAL 57 7.767 2.576 -5.358 438 HA VAL 57 HA VAL 57 5.447 3.196 -6.920 439 HB VAL 57 HB VAL 57 6.095 4.165 -4.077 440 HG11 VAL 57 HG11 VAL 57 3.659 4.481 -3.828 441 HG12 VAL 57 HG12 VAL 57 3.407 3.962 -5.497 442 HG13 VAL 57 HG13 VAL 57 4.282 5.455 -5.161 443 HG21 VAL 57 HG21 VAL 57 4.536 1.694 -4.911 444 HG22 VAL 57 HG22 VAL 57 4.743 2.280 -3.257 445 HG23 VAL 57 HG23 VAL 57 6.138 1.712 -4.172 446 H ASP 58 HN ASP 58 5.306 4.876 -8.231 447 HA ASP 58 HA ASP 58 7.389 6.844 -8.475 448 HB2 ASP 58 HB2 ASP 58 6.225 5.859 -10.441 449 HB3 ASP 58 HB1 ASP 58 4.719 6.626 -9.945 450 H ASP 59 HN ASP 59 7.193 9.148 -8.264 451 HA ASP 59 HA ASP 59 6.011 10.036 -5.909 452 HB2 ASP 59 HB2 ASP 59 7.964 11.125 -6.949 453 HB3 ASP 59 HB1 ASP 59 6.958 11.706 -8.268 454 H ASP 60 HN ASP 60 4.786 10.308 -9.236 455 HA ASP 60 HA ASP 60 2.753 12.239 -8.742 456 HB2 ASP 60 HB2 ASP 60 3.746 11.791 -10.988 457 HB3 ASP 60 HB1 ASP 60 2.974 10.213 -11.015 458 H GLU 61 HN GLU 61 2.831 8.794 -8.319 459 HA GLU 61 HA GLU 61 -0.116 8.550 -8.165 460 HB2 GLU 61 HB2 GLU 61 0.260 6.096 -8.127 461 HB3 GLU 61 HB1 GLU 61 0.987 6.848 -9.543 462 HG2 GLU 61 HG2 GLU 61 3.195 6.730 -8.516 463 HG3 GLU 61 HG1 GLU 61 2.496 6.076 -7.037 464 H ILE 62 HN ILE 62 2.475 9.189 -6.101 465 HA ILE 62 HA ILE 62 1.417 7.845 -3.734 466 HB ILE 62 HB ILE 62 3.632 9.942 -4.006 467 HG12 ILE 62 HG12 ILE 62 3.790 6.919 -3.602 468 HG13 ILE 62 HG11 ILE 62 4.241 7.797 -5.055 469 HG21 ILE 62 HG21 ILE 62 4.270 9.373 -1.690 470 HG22 ILE 62 HG22 ILE 62 2.874 8.297 -1.565 471 HG23 ILE 62 HG23 ILE 62 2.635 10.031 -1.765 472 HD11 ILE 62 HD11 ILE 62 5.613 7.953 -2.377 473 HD12 ILE 62 HD12 ILE 62 6.066 8.882 -3.814 474 HD13 ILE 62 HD13 ILE 62 6.193 7.123 -3.824 475 H SER 63 HN SER 63 -0.576 8.629 -3.141 476 HA SER 63 HA SER 63 -0.731 11.453 -2.264 477 HB2 SER 63 HB2 SER 63 -2.257 11.062 -4.189 478 HB3 SER 63 HB1 SER 63 -2.994 9.700 -3.350 479 HG SER 63 HG SER 63 -3.463 12.375 -3.101 480 H ALA 64 HN ALA 64 -2.429 11.662 -0.481 481 HA ALA 64 HA ALA 64 -2.105 9.809 1.663 482 HB1 ALA 64 HB1 ALA 64 -3.809 11.163 2.806 483 HB2 ALA 64 HB2 ALA 64 -4.183 11.990 1.294 484 HB3 ALA 64 HB3 ALA 64 -2.597 12.190 2.034 485 H GLN 65 HN GLN 65 -4.433 10.213 -0.919 486 HA GLN 65 HA GLN 65 -6.423 8.362 -0.057 487 HB2 GLN 65 HB2 GLN 65 -5.751 9.209 -2.910 488 HB3 GLN 65 HB1 GLN 65 -7.238 8.419 -2.391 489 HG2 GLN 65 HG2 GLN 65 -6.307 11.209 -1.673 490 HG3 GLN 65 HG1 GLN 65 -7.650 10.774 -2.729 491 HE21 GLN 65 HE21 GLN 65 -6.561 11.009 0.575 492 HE22 GLN 65 HE22 GLN 65 -8.102 10.803 1.324 493 H THR 66 HN THR 66 -3.243 7.909 -1.371 494 HA THR 66 HA THR 66 -3.637 5.287 -2.471 495 HB THR 66 HB THR 66 -1.066 6.653 -1.546 496 HG1 THR 66 HG1 THR 66 -2.443 6.678 -4.025 497 HG21 THR 66 HG21 THR 66 -0.735 4.224 -1.890 498 HG22 THR 66 HG22 THR 66 0.078 5.149 -3.149 499 HG23 THR 66 HG23 THR 66 -1.454 4.352 -3.504 500 H PHE 67 HN PHE 67 -2.708 6.671 0.681 501 HA PHE 67 HA PHE 67 -2.448 3.965 1.855 502 HB2 PHE 67 HB2 PHE 67 -1.249 6.643 2.653 503 HB3 PHE 67 HB1 PHE 67 -1.238 5.251 3.736 504 HD1 PHE 67 HD2 PHE 67 -0.011 6.497 0.442 505 HD2 PHE 67 HD1 PHE 67 0.318 3.453 3.425 506 HE1 PHE 67 HE2 PHE 67 1.982 5.607 -0.684 507 HE2 PHE 67 HE1 PHE 67 2.312 2.565 2.286 508 HZ PHE 67 HZ PHE 67 3.140 3.634 0.236 509 H GLU 68 HN GLU 68 -4.914 5.799 1.390 510 HA GLU 68 HA GLU 68 -5.952 6.443 3.943 511 HB2 GLU 68 HB2 GLU 68 -8.092 6.782 2.889 512 HB3 GLU 68 HB1 GLU 68 -6.855 7.357 1.781 513 HG2 GLU 68 HG2 GLU 68 -7.084 5.361 0.413 514 HG3 GLU 68 HG1 GLU 68 -8.221 4.661 1.557 515 H THR 69 HN THR 69 -6.270 3.482 1.950 516 HA THR 69 HA THR 69 -6.928 1.936 4.358 517 HB THR 69 HB THR 69 -9.134 2.603 3.353 518 HG1 THR 69 HG1 THR 69 -9.985 0.503 3.344 519 HG21 THR 69 HG21 THR 69 -9.872 1.652 1.212 520 HG22 THR 69 HG22 THR 69 -8.265 0.973 0.938 521 HG23 THR 69 HG23 THR 69 -8.490 2.724 0.970 522 H LEU 70 HN LEU 70 -6.894 -0.449 3.886 523 HA LEU 70 HA LEU 70 -4.484 -1.224 2.620 524 HB2 LEU 70 HB2 LEU 70 -5.486 -2.501 4.481 525 HB3 LEU 70 HB1 LEU 70 -6.853 -2.938 3.467 526 HG LEU 70 HG LEU 70 -5.267 -4.201 1.954 527 HD11 LEU 70 HD11 LEU 70 -3.020 -4.753 2.754 528 HD12 LEU 70 HD12 LEU 70 -3.212 -3.627 4.099 529 HD13 LEU 70 HD13 LEU 70 -3.199 -3.029 2.437 530 HD21 LEU 70 HD21 LEU 70 -5.305 -5.129 4.843 531 HD22 LEU 70 HD22 LEU 70 -4.964 -6.140 3.440 532 HD23 LEU 70 HD23 LEU 70 -6.557 -5.420 3.635 533 H GLY 71 HN GLY 71 -7.837 -1.200 1.541 534 HA2 GLY 71 HA2 GLY 71 -7.655 -2.753 -0.807 535 HA3 GLY 71 HA1 GLY 71 -8.850 -1.506 -0.494 536 H SER 72 HN SER 72 -6.883 0.610 -0.179 537 HA SER 72 HA SER 72 -6.606 1.459 -2.873 538 HB2 SER 72 HB2 SER 72 -5.441 2.638 -0.317 539 HB3 SER 72 HB1 SER 72 -5.431 3.439 -1.892 540 HG SER 72 HG SER 72 -7.291 4.172 -1.232 541 H LEU 73 HN LEU 73 -4.127 0.509 -0.386 542 HA LEU 73 HA LEU 73 -1.910 0.705 -2.137 543 HB2 LEU 73 HB2 LEU 73 -2.268 -0.969 0.369 544 HB3 LEU 73 HB1 LEU 73 -0.779 -0.982 -0.553 545 HG LEU 73 HG LEU 73 -0.345 0.475 1.213 546 HD11 LEU 73 HD11 LEU 73 -1.110 2.237 -1.135 547 HD12 LEU 73 HD12 LEU 73 0.416 1.373 -0.916 548 HD13 LEU 73 HD13 LEU 73 -0.023 2.673 0.185 549 HD21 LEU 73 HD21 LEU 73 -2.987 1.875 0.736 550 HD22 LEU 73 HD22 LEU 73 -1.798 2.261 1.986 551 HD23 LEU 73 HD23 LEU 73 -2.644 0.718 2.024 552 H ALA 74 HN ALA 74 -3.997 -2.045 -1.347 553 HA ALA 74 HA ALA 74 -2.721 -4.079 -2.764 554 HB1 ALA 74 HB1 ALA 74 -4.887 -5.237 -2.755 555 HB2 ALA 74 HB2 ALA 74 -5.711 -3.731 -2.338 556 HB3 ALA 74 HB3 ALA 74 -4.596 -4.469 -1.189 557 H LEU 75 HN LEU 75 -5.178 -1.743 -3.815 558 HA LEU 75 HA LEU 75 -5.569 -2.614 -6.464 559 HB2 LEU 75 HB2 LEU 75 -6.646 -0.633 -4.809 560 HB3 LEU 75 HB1 LEU 75 -5.814 0.324 -6.005 561 HG LEU 75 HG LEU 75 -8.157 0.080 -6.612 562 HD11 LEU 75 HD11 LEU 75 -7.974 -0.785 -8.883 563 HD12 LEU 75 HD12 LEU 75 -6.432 -1.549 -8.489 564 HD13 LEU 75 HD13 LEU 75 -6.582 0.211 -8.464 565 HD21 LEU 75 HD21 LEU 75 -7.707 -2.918 -6.608 566 HD22 LEU 75 HD22 LEU 75 -9.186 -2.090 -7.098 567 HD23 LEU 75 HD23 LEU 75 -8.646 -2.004 -5.425 568 H PHE 76 HN PHE 76 -3.412 -0.111 -5.138 569 HA PHE 76 HA PHE 76 -2.257 0.806 -7.521 570 HB2 PHE 76 HB2 PHE 76 -1.532 1.031 -4.604 571 HB3 PHE 76 HB1 PHE 76 -0.292 1.455 -5.778 572 HD1 PHE 76 HD2 PHE 76 -3.760 2.310 -4.665 573 HD2 PHE 76 HD1 PHE 76 -0.356 3.540 -6.933 574 HE1 PHE 76 HE2 PHE 76 -4.750 4.534 -4.946 575 HE2 PHE 76 HE1 PHE 76 -1.358 5.758 -7.214 576 HZ PHE 76 HZ PHE 76 -3.553 6.262 -6.227 577 H VAL 77 HN VAL 77 -1.070 -1.666 -5.213 578 HA VAL 77 HA VAL 77 1.373 -2.108 -6.613 579 HB VAL 77 HB VAL 77 1.789 -4.006 -5.118 580 HG11 VAL 77 HG11 VAL 77 1.743 -2.809 -2.952 581 HG12 VAL 77 HG12 VAL 77 0.625 -1.622 -3.625 582 HG13 VAL 77 HG13 VAL 77 2.263 -1.752 -4.263 583 HG21 VAL 77 HG21 VAL 77 0.159 -4.707 -3.409 584 HG22 VAL 77 HG22 VAL 77 -0.470 -4.976 -5.034 585 HG23 VAL 77 HG23 VAL 77 -1.043 -3.602 -4.085 586 H GLU 78 HN GLU 78 -1.836 -3.615 -6.829 587 HA GLU 78 HA GLU 78 -1.190 -5.769 -8.549 588 HB2 GLU 78 HB2 GLU 78 -3.700 -4.030 -8.553 589 HB3 GLU 78 HB1 GLU 78 -3.541 -5.545 -9.435 590 HG2 GLU 78 HG2 GLU 78 -3.251 -5.360 -6.440 591 HG3 GLU 78 HG1 GLU 78 -4.797 -5.598 -7.227 592 H HIS 79 HN HIS 79 -1.989 -2.361 -9.223 593 HA HIS 79 HA HIS 79 -1.732 -2.472 -12.054 594 HB2 HIS 79 HB2 HIS 79 -1.510 -0.137 -10.115 595 HB3 HIS 79 HB1 HIS 79 -1.474 0.062 -11.860 596 HD1 HIS 79 HD1 HIS 79 -3.615 1.580 -11.421 597 HD2 HIS 79 HD2 HIS 79 -4.135 -2.477 -10.723 598 HE1 HIS 79 HE1 HIS 79 -6.092 1.207 -11.459 599 HE2 HIS 79 HE2 HIS 79 -6.378 -1.278 -11.163 600 H LYS 80 HN LYS 80 0.661 -2.102 -9.514 601 HA LYS 80 HA LYS 80 2.790 -1.083 -11.106 602 HB2 LYS 80 HB2 LYS 80 2.927 -2.612 -8.481 603 HB3 LYS 80 HB1 LYS 80 4.265 -1.725 -9.202 604 HG2 LYS 80 HG2 LYS 80 1.684 -0.564 -8.123 605 HG3 LYS 80 HG1 LYS 80 3.287 -0.425 -7.406 606 HD2 LYS 80 HD2 LYS 80 2.510 0.692 -10.118 607 HD3 LYS 80 HD1 LYS 80 2.502 1.625 -8.625 608 HE2 LYS 80 HE2 LYS 80 4.942 1.272 -8.386 609 HE3 LYS 80 HE1 LYS 80 4.949 0.321 -9.877 610 HZ1 LYS 80 HZ1 LYS 80 4.107 3.161 -9.701 611 HZ2 LYS 80 HZ2 LYS 80 4.280 2.238 -11.108 612 HZ3 LYS 80 HZ3 LYS 80 5.645 2.642 -10.194 613 H LEU 81 HN LEU 81 2.224 -4.374 -9.820 614 HA LEU 81 HA LEU 81 4.427 -5.514 -11.265 615 HB2 LEU 81 HB2 LEU 81 2.180 -6.806 -9.684 616 HB3 LEU 81 HB1 LEU 81 3.399 -7.749 -10.519 617 HG LEU 81 HG LEU 81 4.088 -7.680 -8.247 618 HD11 LEU 81 HD11 LEU 81 6.249 -6.573 -8.282 619 HD12 LEU 81 HD12 LEU 81 5.761 -5.582 -9.654 620 HD13 LEU 81 HD13 LEU 81 5.925 -7.329 -9.841 621 HD21 LEU 81 HD21 LEU 81 4.365 -5.631 -6.914 622 HD22 LEU 81 HD22 LEU 81 2.694 -5.870 -7.420 623 HD23 LEU 81 HD23 LEU 81 3.699 -4.675 -8.244 624 H SER 82 HN SER 82 1.192 -4.790 -12.169 625 HA SER 82 HA SER 82 1.178 -6.567 -14.463 626 HB2 SER 82 HB2 SER 82 -0.603 -4.246 -13.653 627 HB3 SER 82 HB1 SER 82 -0.846 -5.205 -15.119 628 HG SER 82 HG SER 82 -1.059 -5.999 -12.421 629 H HIS 83 HN HIS 83 1.705 -3.064 -13.885 630 HA HIS 83 HA HIS 83 2.564 -2.662 -16.684 631 HB2 HIS 83 HB2 HIS 83 1.885 -0.646 -14.489 632 HB3 HIS 83 HB1 HIS 83 2.483 -0.198 -16.083 633 HD1 HIS 83 HD1 HIS 83 0.776 0.000 -17.922 634 HD2 HIS 83 HD2 HIS 83 -0.760 -1.909 -14.575 635 HE1 HIS 83 HE1 HIS 83 -1.678 -0.214 -18.351 636 HE2 HIS 83 HE2 HIS 83 -2.561 -1.490 -16.372 637 H282 PNS 84 H282 PNS 84 7.150 15.534 8.046 638 H281 PNS 84 H281 PNS 84 6.605 13.964 8.644 639 H303 PNS 84 H303 PNS 84 5.178 12.458 7.100 640 H302 PNS 84 H302 PNS 84 4.143 13.813 6.652 641 H301 PNS 84 H301 PNS 84 4.971 12.893 5.401 642 H313 PNS 84 H313 PNS 84 7.707 12.652 6.884 643 H312 PNS 84 H312 PNS 84 7.491 13.039 5.172 644 H311 PNS 84 H311 PNS 84 8.425 14.116 6.211 645 H32 PNS 84 H32 PNS 84 5.482 16.255 5.976 646 H33 PNS 84 H33 PNS 84 7.282 16.487 4.286 647 H36 PNS 84 H36 PNS 84 6.918 13.890 3.684 648 H372 PNS 84 H372 PNS 84 5.123 14.443 1.539 649 H371 PNS 84 H371 PNS 84 6.199 13.042 1.679 650 H382 PNS 84 H382 PNS 84 4.526 12.140 3.419 651 H381 PNS 84 H381 PNS 84 3.422 13.374 2.840 652 H41 PNS 84 H41 PNS 84 2.523 10.980 2.873 653 H422 PNS 84 H422 PNS 84 1.585 10.383 0.336 654 H421 PNS 84 H421 PNS 84 2.950 9.296 0.644 655 H431 PNS 84 H431 PNS 84 1.886 8.438 2.624 656 H432 PNS 84 H432 PNS 84 0.767 8.305 1.259 657 H44 PNS 84 H44 PNS 84 0.505 10.123 4.073 Start of MODEL 9 1 H MET 1 HT1 MET 1 -8.878 -10.099 -5.058 2 HA MET 1 HA MET 1 -7.052 -8.746 -5.766 3 HB2 MET 1 HB2 MET 1 -7.275 -7.549 -2.968 4 HB3 MET 1 HB1 MET 1 -5.878 -7.307 -4.014 5 HG2 MET 1 HG2 MET 1 -7.377 -5.387 -4.097 6 HG3 MET 1 HG1 MET 1 -7.305 -6.201 -5.663 7 HE1 MET 1 HE1 MET 1 -9.720 -4.235 -5.380 8 HE2 MET 1 HE2 MET 1 -11.083 -5.253 -5.837 9 HE3 MET 1 HE3 MET 1 -9.563 -5.367 -6.723 10 H GLN 2 HN GLN 2 -4.959 -9.502 -5.452 11 HA GLN 2 HA GLN 2 -4.625 -11.767 -3.609 12 HB2 GLN 2 HB2 GLN 2 -2.524 -12.150 -5.189 13 HB3 GLN 2 HB1 GLN 2 -4.118 -12.695 -5.659 14 HG2 GLN 2 HG2 GLN 2 -3.179 -9.983 -6.571 15 HG3 GLN 2 HG1 GLN 2 -2.559 -11.425 -7.372 16 HE21 GLN 2 HE21 GLN 2 -5.279 -9.325 -7.015 17 HE22 GLN 2 HE22 GLN 2 -6.294 -10.098 -8.174 18 H HIS 3 HN HIS 3 -3.251 -8.640 -4.503 19 HA HIS 3 HA HIS 3 -0.774 -9.081 -3.111 20 HB2 HIS 3 HB2 HIS 3 -1.857 -6.734 -4.657 21 HB3 HIS 3 HB1 HIS 3 -0.354 -6.624 -3.749 22 HD1 HIS 3 HD1 HIS 3 1.399 -8.713 -4.456 23 HD2 HIS 3 HD2 HIS 3 -1.362 -7.380 -7.233 24 HE1 HIS 3 HE1 HIS 3 2.311 -9.391 -6.684 25 HE2 HIS 3 HE2 HIS 3 0.520 -8.750 -8.324 26 H LEU 4 HN LEU 4 -3.849 -7.767 -2.151 27 HA LEU 4 HA LEU 4 -3.158 -5.959 -0.148 28 HB2 LEU 4 HB2 LEU 4 -5.264 -6.269 0.852 29 HB3 LEU 4 HB1 LEU 4 -5.538 -6.642 -0.839 30 HG LEU 4 HG LEU 4 -5.170 -8.746 1.336 31 HD11 LEU 4 HD11 LEU 4 -7.585 -9.128 1.239 32 HD12 LEU 4 HD12 LEU 4 -7.763 -7.772 0.124 33 HD13 LEU 4 HD13 LEU 4 -7.211 -7.490 1.775 34 HD21 LEU 4 HD21 LEU 4 -4.571 -9.606 -0.861 35 HD22 LEU 4 HD22 LEU 4 -6.107 -9.047 -1.532 36 HD23 LEU 4 HD23 LEU 4 -6.084 -10.327 -0.318 37 H GLU 5 HN GLU 5 -2.807 -9.412 -0.165 38 HA GLU 5 HA GLU 5 -2.438 -10.097 2.507 39 HB2 GLU 5 HB2 GLU 5 -2.728 -11.792 0.786 40 HB3 GLU 5 HB1 GLU 5 -1.326 -11.221 -0.099 41 HG2 GLU 5 HG2 GLU 5 -0.761 -13.310 0.938 42 HG3 GLU 5 HG1 GLU 5 0.142 -12.034 1.755 43 H ALA 6 HN ALA 6 0.014 -9.325 0.025 44 HA ALA 6 HA ALA 6 2.222 -9.291 1.825 45 HB1 ALA 6 HB1 ALA 6 2.026 -8.204 -1.000 46 HB2 ALA 6 HB2 ALA 6 2.512 -9.839 -0.541 47 HB3 ALA 6 HB3 ALA 6 3.518 -8.461 -0.087 48 H VAL 7 HN VAL 7 -0.033 -6.812 0.726 49 HA VAL 7 HA VAL 7 1.522 -4.536 1.473 50 HB VAL 7 HB VAL 7 -1.522 -4.773 1.223 51 HG11 VAL 7 HG11 VAL 7 0.206 -2.258 1.282 52 HG12 VAL 7 HG12 VAL 7 -0.841 -2.815 2.589 53 HG13 VAL 7 HG13 VAL 7 -1.545 -2.322 1.054 54 HG21 VAL 7 HG21 VAL 7 -1.222 -3.724 -1.015 55 HG22 VAL 7 HG22 VAL 7 -0.415 -5.288 -0.911 56 HG23 VAL 7 HG23 VAL 7 0.534 -3.803 -0.815 57 H ARG 8 HN ARG 8 -1.108 -6.302 3.180 58 HA ARG 8 HA ARG 8 -0.913 -4.720 5.585 59 HB2 ARG 8 HB2 ARG 8 -2.430 -6.329 6.640 60 HB3 ARG 8 HB1 ARG 8 -3.028 -5.789 5.081 61 HG2 ARG 8 HG2 ARG 8 -2.390 -7.912 4.061 62 HG3 ARG 8 HG1 ARG 8 -1.695 -8.465 5.598 63 HD2 ARG 8 HD2 ARG 8 -3.814 -8.731 6.592 64 HD3 ARG 8 HD1 ARG 8 -4.584 -7.559 5.533 65 HE ARG 8 HE ARG 8 -5.173 -9.244 4.161 66 HH11 ARG 8 HH11 ARG 8 -2.380 -10.471 5.910 67 HH12 ARG 8 HH12 ARG 8 -2.494 -12.041 5.185 68 HH21 ARG 8 HH21 ARG 8 -5.286 -11.292 3.264 69 HH22 ARG 8 HH22 ARG 8 -4.100 -12.492 3.687 70 H ASN 9 HN ASN 9 0.672 -7.559 4.350 71 HA ASN 9 HA ASN 9 1.918 -8.459 6.696 72 HB2 ASN 9 HB2 ASN 9 2.040 -9.799 4.692 73 HB3 ASN 9 HB1 ASN 9 2.772 -8.490 3.779 74 HD21 ASN 9 HD21 ASN 9 4.977 -8.159 3.919 75 HD22 ASN 9 HD22 ASN 9 6.044 -9.263 4.710 76 H ILE 10 HN ILE 10 2.890 -6.007 4.275 77 HA ILE 10 HA ILE 10 5.352 -5.228 5.370 78 HB ILE 10 HB ILE 10 3.387 -3.745 3.586 79 HG12 ILE 10 HG12 ILE 10 6.083 -5.052 2.969 80 HG13 ILE 10 HG11 ILE 10 4.509 -5.767 2.646 81 HG21 ILE 10 HG21 ILE 10 5.203 -2.103 3.072 82 HG22 ILE 10 HG22 ILE 10 6.170 -2.805 4.375 83 HG23 ILE 10 HG23 ILE 10 4.644 -2.004 4.745 84 HD11 ILE 10 HD11 ILE 10 5.620 -3.273 1.385 85 HD12 ILE 10 HD12 ILE 10 4.023 -3.962 1.077 86 HD13 ILE 10 HD13 ILE 10 5.471 -4.866 0.645 87 H LEU 11 HN LEU 11 2.160 -3.557 5.693 88 HA LEU 11 HA LEU 11 3.180 -1.572 7.457 89 HB2 LEU 11 HB2 LEU 11 0.354 -2.420 6.759 90 HB3 LEU 11 HB1 LEU 11 0.649 -1.225 8.008 91 HG LEU 11 HG LEU 11 1.936 0.139 6.260 92 HD11 LEU 11 HD11 LEU 11 1.436 -0.219 3.893 93 HD12 LEU 11 HD12 LEU 11 0.603 -1.727 4.283 94 HD13 LEU 11 HD13 LEU 11 2.336 -1.570 4.580 95 HD21 LEU 11 HD21 LEU 11 -0.090 1.144 5.315 96 HD22 LEU 11 HD22 LEU 11 -0.272 0.799 7.033 97 HD23 LEU 11 HD23 LEU 11 -1.036 -0.253 5.837 98 H GLY 12 HN GLY 12 1.669 -4.718 8.051 99 HA2 GLY 12 HA2 GLY 12 1.491 -4.565 10.866 100 HA3 GLY 12 HA1 GLY 12 1.579 -6.025 9.902 101 H ASP 13 HN ASP 13 4.136 -5.383 8.694 102 HA ASP 13 HA ASP 13 5.855 -6.588 10.643 103 HB2 ASP 13 HB2 ASP 13 5.952 -7.024 8.149 104 HB3 ASP 13 HB1 ASP 13 6.544 -5.391 7.914 105 H VAL 14 HN VAL 14 5.736 -3.436 9.012 106 HA VAL 14 HA VAL 14 8.086 -2.339 10.160 107 HB VAL 14 HB VAL 14 5.745 -0.920 8.791 108 HG11 VAL 14 HG11 VAL 14 7.306 0.971 8.390 109 HG12 VAL 14 HG12 VAL 14 8.534 0.156 9.366 110 HG13 VAL 14 HG13 VAL 14 7.029 0.691 10.110 111 HG21 VAL 14 HG21 VAL 14 6.824 -2.577 7.325 112 HG22 VAL 14 HG22 VAL 14 8.399 -1.837 7.613 113 HG23 VAL 14 HG23 VAL 14 7.145 -0.939 6.753 114 H LEU 15 HN LEU 15 4.600 -1.747 10.796 115 HA LEU 15 HA LEU 15 5.270 -0.018 13.060 116 HB2 LEU 15 HB2 LEU 15 2.590 -0.690 11.826 117 HB3 LEU 15 HB1 LEU 15 2.793 0.378 13.197 118 HG LEU 15 HG LEU 15 2.551 1.868 11.405 119 HD11 LEU 15 HD11 LEU 15 5.559 1.573 11.692 120 HD12 LEU 15 HD12 LEU 15 4.488 2.508 12.739 121 HD13 LEU 15 HD13 LEU 15 4.707 2.982 11.060 122 HD21 LEU 15 HD21 LEU 15 4.400 0.151 9.725 123 HD22 LEU 15 HD22 LEU 15 3.635 1.660 9.214 124 HD23 LEU 15 HD23 LEU 15 2.643 0.253 9.585 125 H ASN 16 HN ASN 16 4.770 -3.330 12.712 126 HA ASN 16 HA ASN 16 4.699 -5.034 14.181 127 HB2 ASN 16 HB2 ASN 16 6.439 -3.744 15.405 128 HB3 ASN 16 HB1 ASN 16 5.197 -2.889 16.302 129 HD21 ASN 16 HD21 ASN 16 6.769 -5.980 15.850 130 HD22 ASN 16 HD22 ASN 16 6.293 -6.675 17.354 131 H LEU 17 HN LEU 17 2.349 -4.572 13.270 132 HA LEU 17 HA LEU 17 0.272 -3.931 15.138 133 HB2 LEU 17 HB2 LEU 17 0.332 -5.215 12.395 134 HB3 LEU 17 HB1 LEU 17 -1.155 -5.235 13.317 135 HG LEU 17 HG LEU 17 -1.132 -3.413 11.644 136 HD11 LEU 17 HD11 LEU 17 -1.099 -2.353 14.478 137 HD12 LEU 17 HD12 LEU 17 -2.459 -3.148 13.683 138 HD13 LEU 17 HD13 LEU 17 -1.873 -1.601 13.081 139 HD21 LEU 17 HD21 LEU 17 1.273 -2.917 11.594 140 HD22 LEU 17 HD22 LEU 17 1.175 -2.218 13.211 141 HD23 LEU 17 HD23 LEU 17 0.316 -1.465 11.865 142 H GLY 18 HN GLY 18 1.961 -6.848 14.218 143 HA2 GLY 18 HA2 GLY 18 2.127 -8.898 15.216 144 HA3 GLY 18 HA1 GLY 18 1.080 -8.328 16.512 145 H GLU 19 HN GLU 19 -1.079 -8.781 16.434 146 HA GLU 19 HA GLU 19 -2.055 -10.635 14.347 147 HB2 GLU 19 HB2 GLU 19 -3.762 -11.287 16.002 148 HB3 GLU 19 HB1 GLU 19 -2.142 -11.462 16.668 149 HG2 GLU 19 HG2 GLU 19 -2.434 -9.328 17.906 150 HG3 GLU 19 HG1 GLU 19 -4.054 -9.170 17.234 151 H ARG 20 HN ARG 20 -2.308 -7.365 15.279 152 HA ARG 20 HA ARG 20 -5.061 -6.912 14.594 153 HB2 ARG 20 HB2 ARG 20 -3.464 -5.445 16.079 154 HB3 ARG 20 HB1 ARG 20 -2.966 -4.709 14.566 155 HG2 ARG 20 HG2 ARG 20 -5.885 -4.819 15.409 156 HG3 ARG 20 HG1 ARG 20 -4.815 -3.535 15.961 157 HD2 ARG 20 HD2 ARG 20 -4.548 -2.675 13.745 158 HD3 ARG 20 HD1 ARG 20 -5.249 -4.122 13.020 159 HE ARG 20 HE ARG 20 -7.400 -3.454 14.044 160 HH11 ARG 20 HH11 ARG 20 -5.026 -0.891 13.668 161 HH12 ARG 20 HH12 ARG 20 -6.227 0.336 13.451 162 HH21 ARG 20 HH21 ARG 20 -8.935 -1.824 13.766 163 HH22 ARG 20 HH22 ARG 20 -8.431 -0.185 13.522 164 H LYS 21 HN LYS 21 -2.049 -6.955 12.779 165 HA LYS 21 HA LYS 21 -3.066 -5.888 10.328 166 HB2 LYS 21 HB2 LYS 21 -1.088 -6.960 9.256 167 HB3 LYS 21 HB1 LYS 21 -0.687 -5.927 10.620 168 HG2 LYS 21 HG2 LYS 21 0.097 -7.654 11.906 169 HG3 LYS 21 HG1 LYS 21 -1.025 -8.838 11.238 170 HD2 LYS 21 HD2 LYS 21 1.245 -7.741 9.573 171 HD3 LYS 21 HD1 LYS 21 1.537 -9.049 10.710 172 HE2 LYS 21 HE2 LYS 21 1.151 -9.953 8.489 173 HE3 LYS 21 HE1 LYS 21 -0.199 -10.390 9.532 174 HZ1 LYS 21 HZ1 LYS 21 -1.514 -8.658 8.549 175 HZ2 LYS 21 HZ2 LYS 21 -0.903 -9.650 7.333 176 HZ3 LYS 21 HZ3 LYS 21 -0.211 -8.135 7.612 177 H HIS 22 HN HIS 22 -3.736 -8.812 11.901 178 HA HIS 22 HA HIS 22 -4.369 -10.319 9.486 179 HB2 HIS 22 HB2 HIS 22 -3.399 -11.536 11.372 180 HB3 HIS 22 HB1 HIS 22 -4.689 -11.006 12.440 181 HD1 HIS 22 HD1 HIS 22 -4.114 -13.255 9.441 182 HD2 HIS 22 HD2 HIS 22 -6.910 -12.657 12.455 183 HE1 HIS 22 HE1 HIS 22 -5.732 -15.161 9.248 184 HE2 HIS 22 HE2 HIS 22 -7.474 -14.710 11.004 185 H THR 23 HN THR 23 -6.011 -8.474 12.025 186 HA THR 23 HA THR 23 -8.655 -9.498 11.429 187 HB THR 23 HB THR 23 -7.983 -8.767 13.760 188 HG1 THR 23 HG1 THR 23 -10.295 -7.666 12.507 189 HG21 THR 23 HG21 THR 23 -8.363 -5.954 12.660 190 HG22 THR 23 HG22 THR 23 -6.828 -6.642 13.190 191 HG23 THR 23 HG23 THR 23 -8.123 -6.385 14.357 192 H LEU 24 HN LEU 24 -6.693 -6.920 10.275 193 HA LEU 24 HA LEU 24 -8.908 -5.417 9.106 194 HB2 LEU 24 HB2 LEU 24 -7.194 -3.828 8.330 195 HB3 LEU 24 HB1 LEU 24 -7.097 -4.116 10.051 196 HG LEU 24 HG LEU 24 -5.137 -5.764 9.418 197 HD11 LEU 24 HD11 LEU 24 -5.394 -5.766 7.008 198 HD12 LEU 24 HD12 LEU 24 -3.826 -5.094 7.452 199 HD13 LEU 24 HD13 LEU 24 -5.135 -4.022 6.941 200 HD21 LEU 24 HD21 LEU 24 -4.739 -2.759 9.255 201 HD22 LEU 24 HD22 LEU 24 -3.494 -3.958 9.614 202 HD23 LEU 24 HD23 LEU 24 -4.829 -3.721 10.733 203 H THR 25 HN THR 25 -9.229 -5.188 6.895 204 HA THR 25 HA THR 25 -8.118 -7.286 5.107 205 HB THR 25 HB THR 25 -10.366 -7.431 4.059 206 HG1 THR 25 HG1 THR 25 -12.038 -6.336 5.655 207 HG21 THR 25 HG21 THR 25 -9.909 -9.015 5.906 208 HG22 THR 25 HG22 THR 25 -11.614 -8.571 5.862 209 HG23 THR 25 HG23 THR 25 -10.549 -7.853 7.070 210 H ALA 26 HN ALA 26 -9.187 -6.496 2.708 211 HA ALA 26 HA ALA 26 -7.798 -4.159 1.920 212 HB1 ALA 26 HB1 ALA 26 -9.007 -4.346 -0.223 213 HB2 ALA 26 HB2 ALA 26 -10.106 -5.526 0.491 214 HB3 ALA 26 HB3 ALA 26 -8.399 -5.918 0.301 215 H SER 27 HN SER 27 -11.065 -4.671 3.113 216 HA SER 27 HA SER 27 -12.072 -2.057 2.366 217 HB2 SER 27 HB2 SER 27 -13.291 -4.194 4.162 218 HB3 SER 27 HB1 SER 27 -14.131 -2.802 3.486 219 HG SER 27 HG SER 27 -13.200 -3.831 1.406 220 H SER 28 HN SER 28 -9.878 -2.828 4.672 221 HA SER 28 HA SER 28 -10.979 -1.243 6.884 222 HB2 SER 28 HB2 SER 28 -9.922 -3.438 7.384 223 HB3 SER 28 HB1 SER 28 -8.401 -2.852 6.726 224 HG SER 28 HG SER 28 -9.763 -1.698 8.931 225 H VAL 29 HN VAL 29 -9.948 0.582 7.705 226 HA VAL 29 HA VAL 29 -8.626 2.291 5.773 227 HB VAL 29 HB VAL 29 -9.382 2.833 8.696 228 HG11 VAL 29 HG11 VAL 29 -9.295 5.234 8.107 229 HG12 VAL 29 HG12 VAL 29 -8.747 4.817 6.483 230 HG13 VAL 29 HG13 VAL 29 -7.729 4.453 7.873 231 HG21 VAL 29 HG21 VAL 29 -10.990 3.438 6.180 232 HG22 VAL 29 HG22 VAL 29 -11.427 3.930 7.817 233 HG23 VAL 29 HG23 VAL 29 -11.380 2.220 7.397 234 H LEU 30 HN LEU 30 -6.525 3.362 6.245 235 HA LEU 30 HA LEU 30 -4.778 1.851 8.119 236 HB2 LEU 30 HB2 LEU 30 -3.977 3.126 5.479 237 HB3 LEU 30 HB1 LEU 30 -2.891 2.289 6.582 238 HG LEU 30 HG LEU 30 -5.213 1.003 5.089 239 HD11 LEU 30 HD11 LEU 30 -3.429 1.600 3.566 240 HD12 LEU 30 HD12 LEU 30 -3.488 -0.149 3.774 241 HD13 LEU 30 HD13 LEU 30 -2.241 0.795 4.588 242 HD21 LEU 30 HD21 LEU 30 -4.832 -0.124 7.241 243 HD22 LEU 30 HD22 LEU 30 -3.116 -0.312 6.861 244 HD23 LEU 30 HD23 LEU 30 -4.336 -1.150 5.898 245 H LEU 31 HN LEU 31 -4.604 4.972 6.314 246 HA LEU 31 HA LEU 31 -3.350 6.518 8.223 247 HB2 LEU 31 HB2 LEU 31 -5.445 7.302 6.169 248 HB3 LEU 31 HB1 LEU 31 -4.557 8.477 7.114 249 HG LEU 31 HG LEU 31 -3.308 6.532 5.147 250 HD11 LEU 31 HD11 LEU 31 -2.957 8.465 3.690 251 HD12 LEU 31 HD12 LEU 31 -3.813 9.505 4.829 252 HD13 LEU 31 HD13 LEU 31 -4.674 8.210 3.997 253 HD21 LEU 31 HD21 LEU 31 -1.254 7.813 5.410 254 HD22 LEU 31 HD22 LEU 31 -1.766 7.156 6.959 255 HD23 LEU 31 HD23 LEU 31 -2.027 8.861 6.602 256 H GLY 32 HN GLY 32 -3.902 6.803 10.288 257 HA2 GLY 32 HA2 GLY 32 -5.113 7.808 12.016 258 HA3 GLY 32 HA1 GLY 32 -6.569 7.774 11.040 259 H ASN 33 HN ASN 33 -6.271 4.897 10.396 260 HA ASN 33 HA ASN 33 -7.744 3.817 12.607 261 HB2 ASN 33 HB2 ASN 33 -8.155 3.132 10.239 262 HB3 ASN 33 HB1 ASN 33 -6.576 2.353 10.194 263 HD21 ASN 33 HD21 ASN 33 -7.200 0.224 9.960 264 HD22 ASN 33 HD22 ASN 33 -8.200 -0.629 11.074 265 H ILE 34 HN ILE 34 -4.491 3.332 11.301 266 HA ILE 34 HA ILE 34 -3.687 1.645 13.560 267 HB ILE 34 HB ILE 34 -1.874 2.727 11.368 268 HG12 ILE 34 HG12 ILE 34 -3.693 1.512 10.221 269 HG13 ILE 34 HG11 ILE 34 -2.193 0.607 10.100 270 HG21 ILE 34 HG21 ILE 34 -0.462 0.758 11.939 271 HG22 ILE 34 HG22 ILE 34 -1.599 0.348 13.227 272 HG23 ILE 34 HG23 ILE 34 -0.693 1.858 13.303 273 HD11 ILE 34 HD11 ILE 34 -4.510 0.009 11.936 274 HD12 ILE 34 HD12 ILE 34 -2.996 -0.894 11.888 275 HD13 ILE 34 HD13 ILE 34 -4.054 -0.874 10.481 276 HA PRO 35 HA PRO 35 -2.583 5.544 15.671 277 HB2 PRO 35 HB2 PRO 35 -1.643 4.463 18.012 278 HB3 PRO 35 HB1 PRO 35 -3.367 4.581 17.637 279 HG2 PRO 35 HG2 PRO 35 -1.528 2.214 17.371 280 HG3 PRO 35 HG1 PRO 35 -3.186 2.282 18.006 281 HD2 PRO 35 HD2 PRO 35 -2.608 1.437 15.472 282 HD3 PRO 35 HD1 PRO 35 -4.130 2.242 15.878 283 H GLU 36 HN GLU 36 -0.437 3.031 14.687 284 HA GLU 36 HA GLU 36 1.991 4.485 15.439 285 HB2 GLU 36 HB2 GLU 36 1.539 1.791 14.105 286 HB3 GLU 36 HB1 GLU 36 3.136 2.470 14.406 287 HG2 GLU 36 HG2 GLU 36 1.082 1.735 16.516 288 HG3 GLU 36 HG1 GLU 36 2.531 0.820 16.102 289 H LEU 37 HN LEU 37 -0.095 4.049 12.732 290 HA LEU 37 HA LEU 37 1.860 4.685 10.678 291 HB2 LEU 37 HB2 LEU 37 -0.270 3.153 10.490 292 HB3 LEU 37 HB1 LEU 37 -1.153 4.642 10.267 293 HG LEU 37 HG LEU 37 -0.661 3.428 8.127 294 HD11 LEU 37 HD11 LEU 37 -1.054 5.838 8.084 295 HD12 LEU 37 HD12 LEU 37 0.063 5.334 6.817 296 HD13 LEU 37 HD13 LEU 37 0.676 6.132 8.269 297 HD21 LEU 37 HD21 LEU 37 1.518 2.469 8.715 298 HD22 LEU 37 HD22 LEU 37 2.252 4.074 8.682 299 HD23 LEU 37 HD23 LEU 37 1.601 3.367 7.203 300 H ASP 38 HN ASP 38 2.615 6.650 11.552 301 HA ASP 38 HA ASP 38 0.912 9.049 11.215 302 HB2 ASP 38 HB2 ASP 38 1.787 8.407 13.572 303 HB3 ASP 38 HB1 ASP 38 3.398 8.781 12.980 304 H SER 39 HN SER 39 3.429 10.742 11.329 305 HA SER 39 HA SER 39 3.584 11.316 8.646 306 HB2 SER 39 HB2 SER 39 4.039 12.923 10.468 307 HB3 SER 39 HB1 SER 39 5.524 12.051 10.873 308 H MET 40 HN MET 40 6.527 10.293 10.422 309 HA MET 40 HA MET 40 7.925 9.510 8.106 310 HB2 MET 40 HB2 MET 40 8.429 8.898 11.042 311 HB3 MET 40 HB1 MET 40 9.499 8.347 9.750 312 HG2 MET 40 HG2 MET 40 8.852 11.233 10.430 313 HG3 MET 40 HG1 MET 40 10.376 10.392 10.726 314 HE1 MET 40 HE1 MET 40 10.532 8.667 7.859 315 HE2 MET 40 HE2 MET 40 11.907 9.398 8.687 316 HE3 MET 40 HE3 MET 40 11.602 9.760 6.988 317 H ALA 41 HN ALA 41 5.644 7.800 10.027 318 HA ALA 41 HA ALA 41 6.356 5.137 9.381 319 HB1 ALA 41 HB1 ALA 41 4.161 4.528 10.231 320 HB2 ALA 41 HB2 ALA 41 3.656 6.219 10.182 321 HB3 ALA 41 HB3 ALA 41 4.931 5.712 11.291 322 H VAL 42 HN VAL 42 4.124 7.499 7.812 323 HA VAL 42 HA VAL 42 3.141 5.744 5.813 324 HB VAL 42 HB VAL 42 2.368 7.588 4.508 325 HG11 VAL 42 HG11 VAL 42 1.138 9.029 6.064 326 HG12 VAL 42 HG12 VAL 42 2.175 8.485 7.384 327 HG13 VAL 42 HG13 VAL 42 1.118 7.338 6.566 328 HG21 VAL 42 HG21 VAL 42 4.414 8.954 4.326 329 HG22 VAL 42 HG22 VAL 42 4.197 9.521 5.971 330 HG23 VAL 42 HG23 VAL 42 3.024 9.951 4.739 331 H VAL 43 HN VAL 43 6.021 7.771 6.052 332 HA VAL 43 HA VAL 43 6.895 7.388 3.324 333 HB VAL 43 HB VAL 43 8.715 8.098 5.658 334 HG11 VAL 43 HG11 VAL 43 9.975 9.400 3.969 335 HG12 VAL 43 HG12 VAL 43 8.849 8.869 2.718 336 HG13 VAL 43 HG13 VAL 43 9.881 7.691 3.528 337 HG21 VAL 43 HG21 VAL 43 6.839 9.931 4.127 338 HG22 VAL 43 HG22 VAL 43 8.096 10.466 5.251 339 HG23 VAL 43 HG23 VAL 43 6.750 9.493 5.841 340 H ASN 44 HN ASN 44 7.646 5.810 6.379 341 HA ASN 44 HA ASN 44 9.719 4.108 5.537 342 HB2 ASN 44 HB2 ASN 44 7.970 4.341 7.949 343 HB3 ASN 44 HB1 ASN 44 8.663 2.736 7.696 344 HD21 ASN 44 HD21 ASN 44 9.302 5.978 8.654 345 HD22 ASN 44 HD22 ASN 44 10.963 5.767 9.058 346 H VAL 45 HN VAL 45 6.199 3.575 5.661 347 HA VAL 45 HA VAL 45 6.423 0.832 4.824 348 HB VAL 45 HB VAL 45 3.941 0.892 4.489 349 HG11 VAL 45 HG11 VAL 45 3.404 1.110 6.890 350 HG12 VAL 45 HG12 VAL 45 4.947 1.921 7.163 351 HG13 VAL 45 HG13 VAL 45 4.918 0.238 6.634 352 HG21 VAL 45 HG21 VAL 45 2.655 2.852 5.248 353 HG22 VAL 45 HG22 VAL 45 3.657 3.248 3.850 354 HG23 VAL 45 HG23 VAL 45 4.155 3.762 5.462 355 H ILE 46 HN ILE 46 5.937 3.928 3.095 356 HA ILE 46 HA ILE 46 5.410 2.876 0.511 357 HB ILE 46 HB ILE 46 6.956 5.401 1.278 358 HG12 ILE 46 HG12 ILE 46 4.101 5.172 0.213 359 HG13 ILE 46 HG11 ILE 46 4.488 5.244 1.926 360 HG21 ILE 46 HG21 ILE 46 6.619 6.184 -1.063 361 HG22 ILE 46 HG22 ILE 46 5.938 4.612 -1.489 362 HG23 ILE 46 HG23 ILE 46 7.629 4.738 -0.993 363 HD11 ILE 46 HD11 ILE 46 5.077 7.401 -0.106 364 HD12 ILE 46 HD12 ILE 46 5.449 7.475 1.620 365 HD13 ILE 46 HD13 ILE 46 3.772 7.399 1.082 366 H THR 47 HN THR 47 8.451 3.613 2.169 367 HA THR 47 HA THR 47 10.311 2.854 0.208 368 HB THR 47 HB THR 47 10.639 2.691 3.244 369 HG1 THR 47 HG1 THR 47 10.027 4.789 2.021 370 HG21 THR 47 HG21 THR 47 12.476 1.541 2.033 371 HG22 THR 47 HG22 THR 47 13.047 3.013 2.821 372 HG23 THR 47 HG23 THR 47 12.760 3.001 1.079 373 H ALA 48 HN ALA 48 8.790 1.012 2.835 374 HA ALA 48 HA ALA 48 10.053 -1.478 2.373 375 HB1 ALA 48 HB1 ALA 48 9.001 -0.896 4.512 376 HB2 ALA 48 HB2 ALA 48 8.332 -2.399 3.866 377 HB3 ALA 48 HB3 ALA 48 7.414 -0.895 3.741 378 H LEU 49 HN LEU 49 7.094 -0.037 0.962 379 HA LEU 49 HA LEU 49 6.135 -2.307 -0.423 380 HB2 LEU 49 HB2 LEU 49 5.740 0.646 -0.676 381 HB3 LEU 49 HB1 LEU 49 5.489 -0.235 -2.168 382 HG LEU 49 HG LEU 49 3.350 0.094 -1.107 383 HD11 LEU 49 HD11 LEU 49 2.530 -2.205 -0.894 384 HD12 LEU 49 HD12 LEU 49 4.194 -2.795 -0.788 385 HD13 LEU 49 HD13 LEU 49 3.620 -2.018 -2.267 386 HD21 LEU 49 HD21 LEU 49 4.037 0.451 1.204 387 HD22 LEU 49 HD22 LEU 49 4.434 -1.259 1.378 388 HD23 LEU 49 HD23 LEU 49 2.761 -0.760 1.115 389 H GLU 50 HN GLU 50 8.476 0.204 -1.343 390 HA GLU 50 HA GLU 50 9.199 -0.646 -3.909 391 HB2 GLU 50 HB2 GLU 50 11.273 0.496 -2.005 392 HB3 GLU 50 HB1 GLU 50 11.141 0.731 -3.740 393 HG2 GLU 50 HG2 GLU 50 9.303 1.903 -1.648 394 HG3 GLU 50 HG1 GLU 50 10.617 2.752 -2.442 395 H GLU 51 HN GLU 51 10.611 -1.543 -0.761 396 HA GLU 51 HA GLU 51 12.738 -3.125 -1.778 397 HB2 GLU 51 HB2 GLU 51 11.494 -3.234 1.007 398 HB3 GLU 51 HB1 GLU 51 13.079 -3.847 0.554 399 HG2 GLU 51 HG2 GLU 51 12.210 -0.947 0.633 400 HG3 GLU 51 HG1 GLU 51 13.310 -1.748 1.748 401 H TYR 52 HN TYR 52 9.627 -4.100 -0.284 402 HA TYR 52 HA TYR 52 9.990 -6.892 -0.420 403 HB2 TYR 52 HB2 TYR 52 7.515 -5.169 -0.140 404 HB3 TYR 52 HB1 TYR 52 7.376 -6.915 -0.268 405 HD1 TYR 52 HD2 TYR 52 9.331 -4.398 1.772 406 HD2 TYR 52 HD1 TYR 52 7.205 -8.089 1.746 407 HE1 TYR 52 HE2 TYR 52 9.624 -4.576 4.198 408 HE2 TYR 52 HE1 TYR 52 7.496 -8.273 4.174 409 HH TYR 52 HH TYR 52 8.527 -5.673 6.098 410 H PHE 53 HN PHE 53 7.945 -4.806 -2.548 411 HA PHE 53 HA PHE 53 7.366 -7.030 -4.318 412 HB2 PHE 53 HB2 PHE 53 6.648 -4.087 -4.379 413 HB3 PHE 53 HB1 PHE 53 6.177 -5.196 -5.658 414 HD1 PHE 53 HD2 PHE 53 5.892 -4.808 -1.913 415 HD2 PHE 53 HD1 PHE 53 4.086 -6.223 -5.515 416 HE1 PHE 53 HE2 PHE 53 3.823 -5.344 -0.685 417 HE2 PHE 53 HE1 PHE 53 2.035 -6.745 -4.285 418 HZ PHE 53 HZ PHE 53 1.898 -6.312 -1.870 419 H ASP 54 HN ASP 54 9.764 -4.570 -4.136 420 HA ASP 54 HA ASP 54 11.598 -4.078 -5.287 421 HB2 ASP 54 HB2 ASP 54 11.865 -6.599 -5.387 422 HB3 ASP 54 HB1 ASP 54 11.103 -6.577 -6.969 423 H PHE 55 HN PHE 55 9.870 -2.429 -5.834 424 HA PHE 55 HA PHE 55 10.182 -1.792 -8.675 425 HB2 PHE 55 HB2 PHE 55 7.793 -1.075 -8.898 426 HB3 PHE 55 HB1 PHE 55 7.981 -2.804 -8.686 427 HD1 PHE 55 HD1 PHE 55 7.921 -0.327 -5.823 428 HD2 PHE 55 HD2 PHE 55 5.737 -3.258 -8.027 429 HE1 PHE 55 HE1 PHE 55 6.186 -0.317 -4.116 430 HE2 PHE 55 HE2 PHE 55 3.987 -3.225 -6.311 431 HZ PHE 55 HZ PHE 55 4.214 -1.762 -4.342 432 H SER 56 HN SER 56 8.899 0.571 -8.856 433 HA SER 56 HA SER 56 9.413 2.153 -6.413 434 HB2 SER 56 HB2 SER 56 9.950 3.063 -9.279 435 HB3 SER 56 HB1 SER 56 10.186 4.027 -7.813 436 HG SER 56 HG SER 56 11.550 1.955 -7.287 437 H VAL 57 HN VAL 57 7.390 2.608 -5.674 438 HA VAL 57 HA VAL 57 5.168 3.343 -7.339 439 HB VAL 57 HB VAL 57 5.577 3.910 -4.346 440 HG11 VAL 57 HG11 VAL 57 3.022 4.028 -5.994 441 HG12 VAL 57 HG12 VAL 57 3.893 5.408 -5.337 442 HG13 VAL 57 HG13 VAL 57 3.133 4.255 -4.245 443 HG21 VAL 57 HG21 VAL 57 4.040 1.648 -5.692 444 HG22 VAL 57 HG22 VAL 57 4.081 1.973 -3.956 445 HG23 VAL 57 HG23 VAL 57 5.554 1.499 -4.796 446 H ASP 58 HN ASP 58 5.202 5.097 -8.490 447 HA ASP 58 HA ASP 58 7.281 7.040 -8.441 448 HB2 ASP 58 HB2 ASP 58 6.116 6.275 -10.514 449 HB3 ASP 58 HB1 ASP 58 4.639 7.067 -9.977 450 H ASP 59 HN ASP 59 7.141 9.342 -8.002 451 HA ASP 59 HA ASP 59 5.851 9.964 -5.577 452 HB2 ASP 59 HB2 ASP 59 7.965 11.008 -6.335 453 HB3 ASP 59 HB1 ASP 59 7.101 11.855 -7.611 454 H ASP 60 HN ASP 60 4.831 10.508 -8.910 455 HA ASP 60 HA ASP 60 2.798 12.464 -8.408 456 HB2 ASP 60 HB2 ASP 60 3.843 12.225 -10.635 457 HB3 ASP 60 HB1 ASP 60 3.197 10.596 -10.793 458 H GLU 61 HN GLU 61 2.878 8.983 -8.206 459 HA GLU 61 HA GLU 61 -0.073 8.779 -8.171 460 HB2 GLU 61 HB2 GLU 61 0.158 6.376 -8.307 461 HB3 GLU 61 HB1 GLU 61 1.156 7.118 -9.550 462 HG2 GLU 61 HG2 GLU 61 3.148 6.774 -8.100 463 HG3 GLU 61 HG1 GLU 61 2.126 5.946 -6.933 464 H ILE 62 HN ILE 62 2.530 9.123 -5.971 465 HA ILE 62 HA ILE 62 1.165 7.939 -3.677 466 HB ILE 62 HB ILE 62 3.632 9.753 -3.693 467 HG12 ILE 62 HG12 ILE 62 3.447 6.705 -3.601 468 HG13 ILE 62 HG11 ILE 62 4.095 7.669 -4.921 469 HG21 ILE 62 HG21 ILE 62 2.473 9.733 -1.510 470 HG22 ILE 62 HG22 ILE 62 4.023 8.904 -1.396 471 HG23 ILE 62 HG23 ILE 62 2.527 7.967 -1.477 472 HD11 ILE 62 HD11 ILE 62 5.262 7.424 -2.157 473 HD12 ILE 62 HD12 ILE 62 5.914 8.425 -3.463 474 HD13 ILE 62 HD13 ILE 62 5.863 6.670 -3.636 475 H SER 63 HN SER 63 -0.658 8.987 -3.153 476 HA SER 63 HA SER 63 -0.467 11.792 -2.230 477 HB2 SER 63 HB2 SER 63 -2.887 12.040 -2.862 478 HB3 SER 63 HB1 SER 63 -1.869 11.738 -4.268 479 HG SER 63 HG SER 63 -3.827 10.474 -4.192 480 H ALA 64 HN ALA 64 -2.502 12.111 -0.619 481 HA ALA 64 HA ALA 64 -2.228 10.336 1.588 482 HB1 ALA 64 HB1 ALA 64 -4.095 11.606 2.596 483 HB2 ALA 64 HB2 ALA 64 -4.416 12.376 1.039 484 HB3 ALA 64 HB3 ALA 64 -2.896 12.685 1.880 485 H GLN 65 HN GLN 65 -4.465 10.549 -1.094 486 HA GLN 65 HA GLN 65 -6.459 8.718 -0.207 487 HB2 GLN 65 HB2 GLN 65 -5.760 9.542 -3.053 488 HB3 GLN 65 HB1 GLN 65 -7.259 8.782 -2.537 489 HG2 GLN 65 HG2 GLN 65 -6.298 11.565 -1.818 490 HG3 GLN 65 HG1 GLN 65 -7.621 11.152 -2.900 491 HE21 GLN 65 HE21 GLN 65 -6.608 11.405 0.430 492 HE22 GLN 65 HE22 GLN 65 -8.176 11.253 1.131 493 H THR 66 HN THR 66 -3.263 8.156 -1.341 494 HA THR 66 HA THR 66 -3.615 5.590 -2.531 495 HB THR 66 HB THR 66 -1.115 6.795 -1.259 496 HG1 THR 66 HG1 THR 66 -1.274 6.691 -4.006 497 HG21 THR 66 HG21 THR 66 -0.845 4.355 -1.543 498 HG22 THR 66 HG22 THR 66 0.150 5.214 -2.721 499 HG23 THR 66 HG23 THR 66 -1.372 4.470 -3.222 500 H PHE 67 HN PHE 67 -2.956 6.710 0.819 501 HA PHE 67 HA PHE 67 -3.071 3.895 1.778 502 HB2 PHE 67 HB2 PHE 67 -1.718 6.339 2.942 503 HB3 PHE 67 HB1 PHE 67 -2.052 4.932 3.937 504 HD1 PHE 67 HD2 PHE 67 -0.164 6.073 0.920 505 HD2 PHE 67 HD1 PHE 67 -0.631 3.008 3.870 506 HE1 PHE 67 HE2 PHE 67 1.931 5.028 0.174 507 HE2 PHE 67 HE1 PHE 67 1.465 1.973 3.113 508 HZ PHE 67 HZ PHE 67 2.749 2.977 1.266 509 H GLU 68 HN GLU 68 -5.378 5.921 1.255 510 HA GLU 68 HA GLU 68 -6.602 6.452 3.751 511 HB2 GLU 68 HB2 GLU 68 -8.702 6.795 2.541 512 HB3 GLU 68 HB1 GLU 68 -7.369 7.535 1.662 513 HG2 GLU 68 HG2 GLU 68 -7.357 5.715 0.043 514 HG3 GLU 68 HG1 GLU 68 -8.579 4.843 0.969 515 H THR 69 HN THR 69 -6.772 3.610 1.612 516 HA THR 69 HA THR 69 -7.475 1.944 3.926 517 HB THR 69 HB THR 69 -9.637 2.417 2.897 518 HG1 THR 69 HG1 THR 69 -9.823 0.389 3.514 519 HG21 THR 69 HG21 THR 69 -10.196 1.845 0.589 520 HG22 THR 69 HG22 THR 69 -8.545 1.310 0.297 521 HG23 THR 69 HG23 THR 69 -8.870 3.013 0.617 522 H LEU 70 HN LEU 70 -7.132 -0.364 3.518 523 HA LEU 70 HA LEU 70 -4.592 -0.907 2.394 524 HB2 LEU 70 HB2 LEU 70 -5.774 -2.166 4.298 525 HB3 LEU 70 HB1 LEU 70 -6.715 -2.983 3.062 526 HG LEU 70 HG LEU 70 -4.366 -3.665 2.070 527 HD11 LEU 70 HD11 LEU 70 -3.555 -3.059 4.923 528 HD12 LEU 70 HD12 LEU 70 -3.017 -2.201 3.476 529 HD13 LEU 70 HD13 LEU 70 -2.574 -3.889 3.710 530 HD21 LEU 70 HD21 LEU 70 -5.950 -5.303 2.980 531 HD22 LEU 70 HD22 LEU 70 -5.370 -4.981 4.616 532 HD23 LEU 70 HD23 LEU 70 -4.292 -5.712 3.422 533 H GLY 71 HN GLY 71 -7.837 -1.144 1.194 534 HA2 GLY 71 HA2 GLY 71 -7.479 -2.780 -1.082 535 HA3 GLY 71 HA1 GLY 71 -8.771 -1.617 -0.835 536 H SER 72 HN SER 72 -7.161 0.727 -0.571 537 HA SER 72 HA SER 72 -6.812 1.530 -3.236 538 HB2 SER 72 HB2 SER 72 -5.645 2.764 -0.703 539 HB3 SER 72 HB1 SER 72 -5.671 3.545 -2.288 540 HG SER 72 HG SER 72 -7.770 3.868 -2.111 541 H LEU 73 HN LEU 73 -4.343 0.688 -0.734 542 HA LEU 73 HA LEU 73 -2.076 0.801 -2.398 543 HB2 LEU 73 HB2 LEU 73 -2.598 -0.919 0.044 544 HB3 LEU 73 HB1 LEU 73 -1.072 -0.986 -0.822 545 HG LEU 73 HG LEU 73 -0.711 0.411 1.043 546 HD11 LEU 73 HD11 LEU 73 0.333 1.211 -1.012 547 HD12 LEU 73 HD12 LEU 73 -0.087 2.553 0.046 548 HD13 LEU 73 HD13 LEU 73 -1.078 2.211 -1.372 549 HD21 LEU 73 HD21 LEU 73 -2.086 2.334 1.618 550 HD22 LEU 73 HD22 LEU 73 -3.043 0.855 1.611 551 HD23 LEU 73 HD23 LEU 73 -3.169 1.990 0.266 552 H ALA 74 HN ALA 74 -4.266 -1.908 -1.713 553 HA ALA 74 HA ALA 74 -2.865 -3.948 -2.978 554 HB1 ALA 74 HB1 ALA 74 -4.940 -5.208 -3.047 555 HB2 ALA 74 HB2 ALA 74 -5.882 -3.738 -2.759 556 HB3 ALA 74 HB3 ALA 74 -4.804 -4.355 -1.508 557 H LEU 75 HN LEU 75 -5.263 -1.661 -4.316 558 HA LEU 75 HA LEU 75 -5.294 -2.742 -6.960 559 HB2 LEU 75 HB2 LEU 75 -6.321 -0.204 -5.721 560 HB3 LEU 75 HB1 LEU 75 -6.135 -0.223 -7.460 561 HG LEU 75 HG LEU 75 -8.418 -0.736 -6.962 562 HD11 LEU 75 HD11 LEU 75 -7.440 -1.953 -8.854 563 HD12 LEU 75 HD12 LEU 75 -8.721 -2.879 -8.078 564 HD13 LEU 75 HD13 LEU 75 -7.034 -3.305 -7.790 565 HD21 LEU 75 HD21 LEU 75 -7.441 -2.987 -5.188 566 HD22 LEU 75 HD22 LEU 75 -9.123 -2.632 -5.589 567 HD23 LEU 75 HD23 LEU 75 -8.181 -1.475 -4.656 568 H PHE 76 HN PHE 76 -3.445 -0.027 -5.485 569 HA PHE 76 HA PHE 76 -2.120 0.898 -7.772 570 HB2 PHE 76 HB2 PHE 76 -1.424 0.934 -4.826 571 HB3 PHE 76 HB1 PHE 76 -0.168 1.373 -5.974 572 HD1 PHE 76 HD1 PHE 76 -0.387 3.425 -7.353 573 HD2 PHE 76 HD2 PHE 76 -3.313 2.447 -4.404 574 HE1 PHE 76 HE1 PHE 76 -1.242 5.725 -7.424 575 HE2 PHE 76 HE2 PHE 76 -4.164 4.743 -4.487 576 HZ PHE 76 HZ PHE 76 -3.128 6.390 -5.996 577 H VAL 77 HN VAL 77 -1.086 -1.605 -5.453 578 HA VAL 77 HA VAL 77 1.307 -2.258 -6.885 579 HB VAL 77 HB VAL 77 1.730 -3.942 -5.173 580 HG11 VAL 77 HG11 VAL 77 1.798 -2.471 -3.190 581 HG12 VAL 77 HG12 VAL 77 0.684 -1.351 -3.975 582 HG13 VAL 77 HG13 VAL 77 2.293 -1.615 -4.651 583 HG21 VAL 77 HG21 VAL 77 0.165 -4.370 -3.335 584 HG22 VAL 77 HG22 VAL 77 -0.546 -4.814 -4.886 585 HG23 VAL 77 HG23 VAL 77 -1.035 -3.317 -4.095 586 H GLU 78 HN GLU 78 -1.980 -3.572 -6.909 587 HA GLU 78 HA GLU 78 -1.561 -5.966 -8.333 588 HB2 GLU 78 HB2 GLU 78 -3.819 -3.923 -8.645 589 HB3 GLU 78 HB1 GLU 78 -3.783 -5.430 -9.543 590 HG2 GLU 78 HG2 GLU 78 -4.084 -5.113 -6.556 591 HG3 GLU 78 HG1 GLU 78 -5.335 -5.557 -7.695 592 H HIS 79 HN HIS 79 -1.992 -2.632 -9.425 593 HA HIS 79 HA HIS 79 -1.793 -3.210 -12.208 594 HB2 HIS 79 HB2 HIS 79 -1.683 -0.542 -10.740 595 HB3 HIS 79 HB1 HIS 79 -1.873 -0.728 -12.485 596 HD1 HIS 79 HD1 HIS 79 -4.091 0.772 -11.314 597 HD2 HIS 79 HD2 HIS 79 -4.128 -3.377 -11.241 598 HE1 HIS 79 HE1 HIS 79 -6.485 0.121 -10.971 599 HE2 HIS 79 HE2 HIS 79 -6.486 -2.398 -10.919 600 H LYS 80 HN LYS 80 0.565 -2.185 -9.784 601 HA LYS 80 HA LYS 80 2.663 -1.293 -11.415 602 HB2 LYS 80 HB2 LYS 80 2.944 -2.846 -8.801 603 HB3 LYS 80 HB1 LYS 80 4.203 -1.868 -9.544 604 HG2 LYS 80 HG2 LYS 80 1.597 -0.861 -8.380 605 HG3 LYS 80 HG1 LYS 80 3.186 -0.715 -7.642 606 HD2 LYS 80 HD2 LYS 80 2.439 0.522 -10.303 607 HD3 LYS 80 HD1 LYS 80 2.311 1.371 -8.764 608 HE2 LYS 80 HE2 LYS 80 4.741 1.103 -8.413 609 HE3 LYS 80 HE1 LYS 80 4.869 0.256 -9.960 610 HZ1 LYS 80 HZ1 LYS 80 4.084 2.244 -11.073 611 HZ2 LYS 80 HZ2 LYS 80 5.470 2.588 -10.160 612 HZ3 LYS 80 HZ3 LYS 80 3.941 3.050 -9.592 613 H LEU 81 HN LEU 81 2.114 -4.565 -10.114 614 HA LEU 81 HA LEU 81 4.251 -5.725 -11.703 615 HB2 LEU 81 HB2 LEU 81 2.270 -7.060 -9.817 616 HB3 LEU 81 HB1 LEU 81 3.558 -7.903 -10.655 617 HG LEU 81 HG LEU 81 4.379 -7.592 -8.456 618 HD11 LEU 81 HD11 LEU 81 6.326 -6.134 -8.649 619 HD12 LEU 81 HD12 LEU 81 5.624 -5.339 -10.059 620 HD13 LEU 81 HD13 LEU 81 6.073 -7.045 -10.135 621 HD21 LEU 81 HD21 LEU 81 3.531 -4.686 -8.543 622 HD22 LEU 81 HD22 LEU 81 4.379 -5.477 -7.211 623 HD23 LEU 81 HD23 LEU 81 2.746 -5.981 -7.638 624 H SER 82 HN SER 82 0.892 -5.163 -12.213 625 HA SER 82 HA SER 82 0.455 -7.158 -14.234 626 HB2 SER 82 HB2 SER 82 -0.900 -4.468 -13.777 627 HB3 SER 82 HB1 SER 82 -1.459 -5.690 -14.921 628 HG SER 82 HG SER 82 -1.057 -6.465 -12.265 629 H HIS 83 HN HIS 83 1.929 -3.973 -14.157 630 HA HIS 83 HA HIS 83 2.021 -3.538 -16.995 631 HB2 HIS 83 HB2 HIS 83 3.606 -2.211 -14.750 632 HB3 HIS 83 HB1 HIS 83 3.585 -1.659 -16.422 633 HD1 HIS 83 HD1 HIS 83 2.617 -0.013 -13.875 634 HD2 HIS 83 HD2 HIS 83 0.171 -1.940 -16.623 635 HE1 HIS 83 HE1 HIS 83 0.404 1.139 -13.722 636 HE2 HIS 83 HE2 HIS 83 -0.969 0.128 -15.567 637 H282 PNS 84 H282 PNS 84 8.374 15.125 6.872 638 H281 PNS 84 H281 PNS 84 8.047 13.618 7.715 639 H303 PNS 84 H303 PNS 84 6.174 12.059 6.842 640 H302 PNS 84 H302 PNS 84 5.012 13.380 6.732 641 H301 PNS 84 H301 PNS 84 5.378 12.410 5.306 642 H313 PNS 84 H313 PNS 84 7.599 12.603 4.173 643 H312 PNS 84 H312 PNS 84 8.826 13.733 4.757 644 H311 PNS 84 H311 PNS 84 8.444 12.275 5.689 645 H32 PNS 84 H32 PNS 84 5.797 15.710 5.592 646 H33 PNS 84 H33 PNS 84 7.208 15.823 3.371 647 H36 PNS 84 H36 PNS 84 6.903 13.776 2.776 648 H372 PNS 84 H372 PNS 84 4.361 13.960 1.446 649 H371 PNS 84 H371 PNS 84 5.770 13.025 0.920 650 H382 PNS 84 H382 PNS 84 5.229 11.190 2.332 651 H381 PNS 84 H381 PNS 84 4.090 12.143 3.268 652 H41 PNS 84 H41 PNS 84 2.878 10.159 2.924 653 H422 PNS 84 H422 PNS 84 0.690 10.500 1.243 654 H421 PNS 84 H421 PNS 84 1.781 9.351 0.464 655 H431 PNS 84 H431 PNS 84 0.976 8.957 3.326 656 H432 PNS 84 H432 PNS 84 1.532 7.767 2.142 657 H44 PNS 84 H44 PNS 84 -0.818 7.761 0.670 Start of MODEL 10 1 H MET 1 HT1 MET 1 -8.502 -9.511 -5.771 2 HA MET 1 HA MET 1 -6.657 -8.118 -6.301 3 HB2 MET 1 HB2 MET 1 -7.019 -7.082 -3.450 4 HB3 MET 1 HB1 MET 1 -5.581 -6.778 -4.425 5 HG2 MET 1 HG2 MET 1 -7.085 -4.863 -4.504 6 HG3 MET 1 HG1 MET 1 -6.942 -5.629 -6.090 7 HE1 MET 1 HE1 MET 1 -9.147 -5.022 -7.338 8 HE2 MET 1 HE2 MET 1 -9.476 -3.803 -6.108 9 HE3 MET 1 HE3 MET 1 -10.735 -4.937 -6.577 10 H GLN 2 HN GLN 2 -4.548 -8.845 -5.902 11 HA GLN 2 HA GLN 2 -4.360 -11.380 -4.414 12 HB2 GLN 2 HB2 GLN 2 -2.236 -10.096 -6.195 13 HB3 GLN 2 HB1 GLN 2 -2.346 -11.786 -5.703 14 HG2 GLN 2 HG2 GLN 2 -4.276 -10.356 -7.538 15 HG3 GLN 2 HG1 GLN 2 -2.957 -11.403 -8.062 16 HE21 GLN 2 HE21 GLN 2 -6.107 -11.308 -6.555 17 HE22 GLN 2 HE22 GLN 2 -6.448 -12.997 -6.698 18 H HIS 3 HN HIS 3 -2.758 -8.293 -4.839 19 HA HIS 3 HA HIS 3 -0.566 -8.911 -3.210 20 HB2 HIS 3 HB2 HIS 3 -1.405 -6.319 -4.517 21 HB3 HIS 3 HB1 HIS 3 0.107 -6.517 -3.641 22 HD1 HIS 3 HD1 HIS 3 1.794 -8.369 -4.705 23 HD2 HIS 3 HD2 HIS 3 -1.249 -6.994 -7.174 24 HE1 HIS 3 HE1 HIS 3 2.527 -8.898 -7.041 25 HE2 HIS 3 HE2 HIS 3 0.578 -8.248 -8.489 26 H LEU 4 HN LEU 4 -3.669 -7.552 -2.420 27 HA LEU 4 HA LEU 4 -3.145 -5.727 -0.423 28 HB2 LEU 4 HB2 LEU 4 -5.324 -5.999 0.395 29 HB3 LEU 4 HB1 LEU 4 -5.445 -6.477 -1.288 30 HG LEU 4 HG LEU 4 -5.248 -8.466 1.015 31 HD11 LEU 4 HD11 LEU 4 -7.291 -7.157 1.255 32 HD12 LEU 4 HD12 LEU 4 -7.649 -8.819 0.795 33 HD13 LEU 4 HD13 LEU 4 -7.746 -7.535 -0.412 34 HD21 LEU 4 HD21 LEU 4 -6.024 -8.891 -1.891 35 HD22 LEU 4 HD22 LEU 4 -6.070 -10.119 -0.623 36 HD23 LEU 4 HD23 LEU 4 -4.527 -9.424 -1.112 37 H GLU 5 HN GLU 5 -2.849 -9.246 -0.150 38 HA GLU 5 HA GLU 5 -2.782 -9.315 2.706 39 HB2 GLU 5 HB2 GLU 5 -3.489 -11.284 1.431 40 HB3 GLU 5 HB1 GLU 5 -1.896 -11.425 0.695 41 HG2 GLU 5 HG2 GLU 5 -0.878 -12.051 2.762 42 HG3 GLU 5 HG1 GLU 5 -2.289 -11.565 3.698 43 H ALA 6 HN ALA 6 -0.295 -9.382 0.174 44 HA ALA 6 HA ALA 6 1.984 -9.500 1.852 45 HB1 ALA 6 HB1 ALA 6 3.246 -8.792 -0.132 46 HB2 ALA 6 HB2 ALA 6 1.743 -8.347 -0.948 47 HB3 ALA 6 HB3 ALA 6 2.065 -10.036 -0.548 48 H VAL 7 HN VAL 7 -0.021 -6.826 0.723 49 HA VAL 7 HA VAL 7 1.682 -4.683 1.486 50 HB VAL 7 HB VAL 7 -1.364 -4.680 1.133 51 HG11 VAL 7 HG11 VAL 7 -1.160 -2.214 0.935 52 HG12 VAL 7 HG12 VAL 7 0.562 -2.319 1.305 53 HG13 VAL 7 HG13 VAL 7 -0.632 -2.775 2.519 54 HG21 VAL 7 HG21 VAL 7 0.828 -3.849 -0.815 55 HG22 VAL 7 HG22 VAL 7 -0.906 -3.612 -1.072 56 HG23 VAL 7 HG23 VAL 7 -0.239 -5.246 -0.973 57 H ARG 8 HN ARG 8 -1.102 -6.281 3.114 58 HA ARG 8 HA ARG 8 -0.987 -4.654 5.487 59 HB2 ARG 8 HB2 ARG 8 -2.637 -6.158 6.468 60 HB3 ARG 8 HB1 ARG 8 -3.090 -5.788 4.812 61 HG2 ARG 8 HG2 ARG 8 -2.175 -7.993 4.102 62 HG3 ARG 8 HG1 ARG 8 -1.825 -8.363 5.792 63 HD2 ARG 8 HD2 ARG 8 -4.259 -8.170 6.296 64 HD3 ARG 8 HD1 ARG 8 -4.570 -7.873 4.583 65 HE ARG 8 HE ARG 8 -3.124 -10.283 4.850 66 HH11 ARG 8 HH11 ARG 8 -6.338 -9.051 5.579 67 HH12 ARG 8 HH12 ARG 8 -7.104 -10.594 5.367 68 HH21 ARG 8 HH21 ARG 8 -4.156 -12.306 4.590 69 HH22 ARG 8 HH22 ARG 8 -5.875 -12.431 4.818 70 H ASN 9 HN ASN 9 0.566 -7.572 4.425 71 HA ASN 9 HA ASN 9 1.549 -8.609 6.855 72 HB2 ASN 9 HB2 ASN 9 1.588 -9.880 4.771 73 HB3 ASN 9 HB1 ASN 9 2.624 -8.683 4.006 74 HD21 ASN 9 HD21 ASN 9 4.211 -10.107 3.484 75 HD22 ASN 9 HD22 ASN 9 5.213 -10.910 4.633 76 H ILE 10 HN ILE 10 2.942 -6.383 4.475 77 HA ILE 10 HA ILE 10 5.336 -5.755 5.833 78 HB ILE 10 HB ILE 10 3.795 -4.167 3.731 79 HG12 ILE 10 HG12 ILE 10 6.240 -5.981 3.408 80 HG13 ILE 10 HG11 ILE 10 4.591 -6.452 3.013 81 HG21 ILE 10 HG21 ILE 10 5.301 -2.656 4.942 82 HG22 ILE 10 HG22 ILE 10 5.924 -2.945 3.318 83 HG23 ILE 10 HG23 ILE 10 6.651 -3.766 4.705 84 HD11 ILE 10 HD11 ILE 10 6.188 -4.270 1.688 85 HD12 ILE 10 HD12 ILE 10 4.520 -4.699 1.296 86 HD13 ILE 10 HD13 ILE 10 5.816 -5.863 1.029 87 H LEU 11 HN LEU 11 2.197 -4.025 5.658 88 HA LEU 11 HA LEU 11 2.864 -1.766 7.177 89 HB2 LEU 11 HB2 LEU 11 0.169 -3.137 6.843 90 HB3 LEU 11 HB1 LEU 11 0.388 -1.522 7.505 91 HG LEU 11 HG LEU 11 1.151 -2.306 4.662 92 HD11 LEU 11 HD11 LEU 11 -1.344 -0.891 5.636 93 HD12 LEU 11 HD12 LEU 11 -1.257 -2.504 4.923 94 HD13 LEU 11 HD13 LEU 11 -0.870 -1.091 3.944 95 HD21 LEU 11 HD21 LEU 11 0.948 0.438 5.955 96 HD22 LEU 11 HD22 LEU 11 1.298 0.117 4.255 97 HD23 LEU 11 HD23 LEU 11 2.440 -0.388 5.497 98 H GLY 12 HN GLY 12 1.569 -4.917 8.185 99 HA2 GLY 12 HA2 GLY 12 1.229 -4.255 10.935 100 HA3 GLY 12 HA1 GLY 12 1.257 -5.857 10.235 101 H ASP 13 HN ASP 13 3.955 -5.486 9.043 102 HA ASP 13 HA ASP 13 5.556 -6.192 11.332 103 HB2 ASP 13 HB2 ASP 13 5.887 -7.187 9.074 104 HB3 ASP 13 HB1 ASP 13 6.377 -5.617 8.455 105 H VAL 14 HN VAL 14 5.215 -3.294 9.294 106 HA VAL 14 HA VAL 14 7.482 -1.905 10.399 107 HB VAL 14 HB VAL 14 5.195 -0.814 8.689 108 HG11 VAL 14 HG11 VAL 14 6.306 1.017 9.900 109 HG12 VAL 14 HG12 VAL 14 6.714 1.096 8.187 110 HG13 VAL 14 HG13 VAL 14 7.887 0.459 9.344 111 HG21 VAL 14 HG21 VAL 14 6.479 -2.562 7.513 112 HG22 VAL 14 HG22 VAL 14 7.984 -1.712 7.856 113 HG23 VAL 14 HG23 VAL 14 6.780 -0.981 6.791 114 H LEU 15 HN LEU 15 3.935 -1.461 10.678 115 HA LEU 15 HA LEU 15 4.238 0.518 12.793 116 HB2 LEU 15 HB2 LEU 15 1.727 -0.590 11.497 117 HB3 LEU 15 HB1 LEU 15 1.729 0.640 12.744 118 HG LEU 15 HG LEU 15 1.432 1.902 10.805 119 HD11 LEU 15 HD11 LEU 15 3.295 2.809 12.127 120 HD12 LEU 15 HD12 LEU 15 3.429 3.201 10.417 121 HD13 LEU 15 HD13 LEU 15 4.445 1.936 11.108 122 HD21 LEU 15 HD21 LEU 15 1.744 0.120 9.151 123 HD22 LEU 15 HD22 LEU 15 3.496 0.233 9.335 124 HD23 LEU 15 HD23 LEU 15 2.589 1.591 8.665 125 H ASN 16 HN ASN 16 4.270 -2.801 12.803 126 HA ASN 16 HA ASN 16 4.451 -4.289 14.484 127 HB2 ASN 16 HB2 ASN 16 5.710 -2.398 15.585 128 HB3 ASN 16 HB1 ASN 16 4.225 -1.913 16.386 129 HD21 ASN 16 HD21 ASN 16 6.699 -4.397 16.207 130 HD22 ASN 16 HD22 ASN 16 6.380 -5.098 17.753 131 H LEU 17 HN LEU 17 1.997 -4.071 13.313 132 HA LEU 17 HA LEU 17 -0.139 -4.251 15.246 133 HB2 LEU 17 HB2 LEU 17 0.083 -4.960 12.304 134 HB3 LEU 17 HB1 LEU 17 -1.337 -5.416 13.223 135 HG LEU 17 HG LEU 17 -1.862 -3.042 13.655 136 HD11 LEU 17 HD11 LEU 17 0.382 -2.081 13.676 137 HD12 LEU 17 HD12 LEU 17 -0.656 -1.224 12.542 138 HD13 LEU 17 HD13 LEU 17 0.547 -2.372 11.942 139 HD21 LEU 17 HD21 LEU 17 -2.803 -4.121 11.652 140 HD22 LEU 17 HD22 LEU 17 -1.409 -3.604 10.701 141 HD23 LEU 17 HD23 LEU 17 -2.519 -2.404 11.372 142 H GLY 18 HN GLY 18 2.122 -6.469 13.691 143 HA2 GLY 18 HA2 GLY 18 2.724 -8.623 14.136 144 HA3 GLY 18 HA1 GLY 18 1.837 -8.505 15.646 145 H GLU 19 HN GLU 19 -0.332 -9.174 15.714 146 HA GLU 19 HA GLU 19 -1.094 -11.191 13.715 147 HB2 GLU 19 HB2 GLU 19 -1.047 -11.764 16.144 148 HB3 GLU 19 HB1 GLU 19 -2.258 -10.525 16.459 149 HG2 GLU 19 HG2 GLU 19 -3.870 -11.775 15.034 150 HG3 GLU 19 HG1 GLU 19 -2.656 -13.032 14.795 151 H ARG 20 HN ARG 20 -2.017 -8.034 14.874 152 HA ARG 20 HA ARG 20 -4.774 -8.041 14.195 153 HB2 ARG 20 HB2 ARG 20 -3.638 -6.520 15.858 154 HB3 ARG 20 HB1 ARG 20 -2.949 -5.626 14.516 155 HG2 ARG 20 HG2 ARG 20 -5.950 -5.913 14.682 156 HG3 ARG 20 HG1 ARG 20 -5.143 -4.788 15.771 157 HD2 ARG 20 HD2 ARG 20 -4.159 -3.627 13.799 158 HD3 ARG 20 HD1 ARG 20 -5.038 -4.731 12.740 159 HE ARG 20 HE ARG 20 -7.076 -3.729 13.374 160 HH11 ARG 20 HH11 ARG 20 -4.368 -2.123 14.916 161 HH12 ARG 20 HH12 ARG 20 -5.240 -0.656 15.196 162 HH21 ARG 20 HH21 ARG 20 -8.212 -1.780 13.732 163 HH22 ARG 20 HH22 ARG 20 -7.416 -0.460 14.535 164 H LYS 21 HN LYS 21 -1.916 -7.506 12.305 165 HA LYS 21 HA LYS 21 -2.993 -6.056 10.135 166 HB2 LYS 21 HB2 LYS 21 -1.028 -6.693 8.896 167 HB3 LYS 21 HB1 LYS 21 -0.579 -6.289 10.550 168 HG2 LYS 21 HG2 LYS 21 -0.393 -8.644 11.124 169 HG3 LYS 21 HG1 LYS 21 -0.961 -9.114 9.518 170 HD2 LYS 21 HD2 LYS 21 1.074 -7.901 8.581 171 HD3 LYS 21 HD1 LYS 21 1.647 -7.743 10.246 172 HE2 LYS 21 HE2 LYS 21 1.558 -10.211 10.464 173 HE3 LYS 21 HE1 LYS 21 1.080 -10.312 8.770 174 HZ1 LYS 21 HZ1 LYS 21 3.188 -9.209 8.193 175 HZ2 LYS 21 HZ2 LYS 21 3.427 -10.690 8.963 176 HZ3 LYS 21 HZ3 LYS 21 3.651 -9.251 9.818 177 H HIS 22 HN HIS 22 -3.193 -9.416 10.992 178 HA HIS 22 HA HIS 22 -3.978 -10.261 8.295 179 HB2 HIS 22 HB2 HIS 22 -2.377 -11.628 9.668 180 HB3 HIS 22 HB1 HIS 22 -3.670 -11.938 10.821 181 HD1 HIS 22 HD1 HIS 22 -4.925 -14.054 10.403 182 HD2 HIS 22 HD2 HIS 22 -3.107 -12.637 6.941 183 HE1 HIS 22 HE1 HIS 22 -5.393 -15.774 8.633 184 HE2 HIS 22 HE2 HIS 22 -4.336 -14.873 6.540 185 H THR 23 HN THR 23 -5.441 -9.411 11.349 186 HA THR 23 HA THR 23 -7.991 -10.709 10.740 187 HB THR 23 HB THR 23 -7.133 -10.570 13.121 188 HG1 THR 23 HG1 THR 23 -9.289 -11.018 12.886 189 HG21 THR 23 HG21 THR 23 -6.338 -8.220 13.117 190 HG22 THR 23 HG22 THR 23 -7.497 -8.516 14.411 191 HG23 THR 23 HG23 THR 23 -8.004 -7.665 12.952 192 H LEU 24 HN LEU 24 -6.517 -7.940 9.660 193 HA LEU 24 HA LEU 24 -9.092 -6.573 9.189 194 HB2 LEU 24 HB2 LEU 24 -7.792 -4.603 8.507 195 HB3 LEU 24 HB1 LEU 24 -7.498 -5.080 10.148 196 HG LEU 24 HG LEU 24 -5.298 -6.159 9.247 197 HD11 LEU 24 HD11 LEU 24 -5.776 -6.015 6.847 198 HD12 LEU 24 HD12 LEU 24 -4.327 -5.100 7.262 199 HD13 LEU 24 HD13 LEU 24 -5.847 -4.252 6.952 200 HD21 LEU 24 HD21 LEU 24 -4.088 -4.022 9.484 201 HD22 LEU 24 HD22 LEU 24 -5.330 -4.208 10.719 202 HD23 LEU 24 HD23 LEU 24 -5.615 -3.141 9.342 203 H THR 25 HN THR 25 -9.485 -5.745 7.030 204 HA THR 25 HA THR 25 -8.561 -7.593 4.905 205 HB THR 25 HB THR 25 -10.936 -7.442 4.010 206 HG1 THR 25 HG1 THR 25 -11.721 -6.535 6.575 207 HG21 THR 25 HG21 THR 25 -10.715 -8.620 6.808 208 HG22 THR 25 HG22 THR 25 -10.265 -9.440 5.311 209 HG23 THR 25 HG23 THR 25 -11.952 -9.024 5.617 210 H ALA 26 HN ALA 26 -9.737 -6.502 2.713 211 HA ALA 26 HA ALA 26 -8.063 -4.393 2.003 212 HB1 ALA 26 HB1 ALA 26 -9.376 -4.241 -0.059 213 HB2 ALA 26 HB2 ALA 26 -10.670 -5.192 0.676 214 HB3 ALA 26 HB3 ALA 26 -9.092 -5.923 0.377 215 H SER 27 HN SER 27 -11.439 -4.267 3.102 216 HA SER 27 HA SER 27 -11.786 -1.458 2.617 217 HB2 SER 27 HB2 SER 27 -13.666 -3.085 2.566 218 HB3 SER 27 HB1 SER 27 -13.473 -3.355 4.296 219 HG SER 27 HG SER 27 -13.687 -0.762 4.015 220 H SER 28 HN SER 28 -10.002 -3.032 4.994 221 HA SER 28 HA SER 28 -10.508 -1.451 7.305 222 HB2 SER 28 HB2 SER 28 -9.273 -3.587 7.423 223 HB3 SER 28 HB1 SER 28 -7.948 -2.884 6.500 224 HG SER 28 HG SER 28 -8.802 -2.289 9.122 225 H VAL 29 HN VAL 29 -9.639 0.433 7.971 226 HA VAL 29 HA VAL 29 -8.486 2.206 5.965 227 HB VAL 29 HB VAL 29 -9.394 2.802 8.827 228 HG11 VAL 29 HG11 VAL 29 -7.945 4.558 7.924 229 HG12 VAL 29 HG12 VAL 29 -9.603 5.145 8.057 230 HG13 VAL 29 HG13 VAL 29 -8.950 4.684 6.481 231 HG21 VAL 29 HG21 VAL 29 -11.266 1.855 7.546 232 HG22 VAL 29 HG22 VAL 29 -11.008 3.025 6.249 233 HG23 VAL 29 HG23 VAL 29 -11.534 3.576 7.842 234 H LEU 30 HN LEU 30 -6.479 3.323 6.269 235 HA LEU 30 HA LEU 30 -4.673 2.241 8.374 236 HB2 LEU 30 HB2 LEU 30 -3.867 3.688 5.828 237 HB3 LEU 30 HB1 LEU 30 -2.797 2.899 6.978 238 HG LEU 30 HG LEU 30 -4.790 1.508 5.140 239 HD11 LEU 30 HD11 LEU 30 -2.788 2.356 3.990 240 HD12 LEU 30 HD12 LEU 30 -2.833 0.595 4.018 241 HD13 LEU 30 HD13 LEU 30 -1.762 1.464 5.120 242 HD21 LEU 30 HD21 LEU 30 -4.649 0.280 7.277 243 HD22 LEU 30 HD22 LEU 30 -2.888 0.239 7.155 244 HD23 LEU 30 HD23 LEU 30 -3.877 -0.625 5.978 245 H LEU 31 HN LEU 31 -4.812 5.302 6.499 246 HA LEU 31 HA LEU 31 -3.921 7.069 8.415 247 HB2 LEU 31 HB2 LEU 31 -5.872 7.429 6.130 248 HB3 LEU 31 HB1 LEU 31 -5.377 8.783 7.127 249 HG LEU 31 HG LEU 31 -3.527 7.103 5.395 250 HD11 LEU 31 HD11 LEU 31 -5.041 8.470 4.057 251 HD12 LEU 31 HD12 LEU 31 -3.401 9.098 3.967 252 HD13 LEU 31 HD13 LEU 31 -4.597 9.911 4.979 253 HD21 LEU 31 HD21 LEU 31 -2.927 9.637 6.971 254 HD22 LEU 31 HD22 LEU 31 -1.819 8.804 5.874 255 HD23 LEU 31 HD23 LEU 31 -2.344 8.015 7.357 256 H GLY 32 HN GLY 32 -4.704 7.693 10.318 257 HA2 GLY 32 HA2 GLY 32 -6.179 8.509 11.895 258 HA3 GLY 32 HA1 GLY 32 -7.533 8.111 10.851 259 H ASN 33 HN ASN 33 -6.505 5.260 10.556 260 HA ASN 33 HA ASN 33 -7.929 4.169 12.819 261 HB2 ASN 33 HB2 ASN 33 -8.201 3.154 10.578 262 HB3 ASN 33 HB1 ASN 33 -6.486 2.764 10.524 263 HD21 ASN 33 HD21 ASN 33 -6.740 0.527 10.375 264 HD22 ASN 33 HD22 ASN 33 -7.419 -0.440 11.631 265 H ILE 34 HN ILE 34 -4.685 3.489 11.469 266 HA ILE 34 HA ILE 34 -3.831 2.144 13.871 267 HB ILE 34 HB ILE 34 -2.108 2.973 11.500 268 HG12 ILE 34 HG12 ILE 34 -4.002 1.626 10.637 269 HG13 ILE 34 HG11 ILE 34 -2.510 0.701 10.538 270 HG21 ILE 34 HG21 ILE 34 -0.791 2.317 13.442 271 HG22 ILE 34 HG22 ILE 34 -0.647 1.089 12.182 272 HG23 ILE 34 HG23 ILE 34 -1.691 0.802 13.576 273 HD11 ILE 34 HD11 ILE 34 -4.681 0.360 12.615 274 HD12 ILE 34 HD12 ILE 34 -3.176 -0.562 12.548 275 HD13 ILE 34 HD13 ILE 34 -4.354 -0.700 11.245 276 HA PRO 35 HA PRO 35 -2.580 6.130 15.664 277 HB2 PRO 35 HB2 PRO 35 -1.597 5.233 18.050 278 HB3 PRO 35 HB1 PRO 35 -3.332 5.245 17.696 279 HG2 PRO 35 HG2 PRO 35 -1.378 2.948 17.498 280 HG3 PRO 35 HG1 PRO 35 -2.995 2.975 18.238 281 HD2 PRO 35 HD2 PRO 35 -2.555 2.002 15.731 282 HD3 PRO 35 HD1 PRO 35 -4.074 2.801 16.171 283 H GLU 36 HN GLU 36 -0.518 3.514 14.822 284 HA GLU 36 HA GLU 36 2.008 4.797 15.519 285 HB2 GLU 36 HB2 GLU 36 1.523 2.210 13.988 286 HB3 GLU 36 HB1 GLU 36 3.014 2.714 14.778 287 HG2 GLU 36 HG2 GLU 36 0.416 1.934 16.127 288 HG3 GLU 36 HG1 GLU 36 1.899 0.985 16.073 289 H LEU 37 HN LEU 37 -0.062 4.222 12.783 290 HA LEU 37 HA LEU 37 1.789 4.990 10.721 291 HB2 LEU 37 HB2 LEU 37 -0.275 3.481 10.476 292 HB3 LEU 37 HB1 LEU 37 -1.263 4.919 10.604 293 HG LEU 37 HG LEU 37 -0.969 4.030 8.254 294 HD11 LEU 37 HD11 LEU 37 -0.645 6.164 7.135 295 HD12 LEU 37 HD12 LEU 37 0.057 6.861 8.599 296 HD13 LEU 37 HD13 LEU 37 -1.641 6.367 8.578 297 HD21 LEU 37 HD21 LEU 37 1.913 4.936 8.547 298 HD22 LEU 37 HD22 LEU 37 1.141 4.399 7.054 299 HD23 LEU 37 HD23 LEU 37 1.344 3.270 8.389 300 H ASP 38 HN ASP 38 2.634 7.003 11.173 301 HA ASP 38 HA ASP 38 0.835 9.304 10.763 302 HB2 ASP 38 HB2 ASP 38 1.652 9.042 13.203 303 HB3 ASP 38 HB1 ASP 38 3.278 9.340 12.608 304 H SER 39 HN SER 39 3.307 11.076 10.653 305 HA SER 39 HA SER 39 3.449 10.914 7.844 306 HB2 SER 39 HB2 SER 39 4.673 12.965 7.930 307 HB3 SER 39 HB1 SER 39 3.465 13.026 9.214 308 H MET 40 HN MET 40 6.185 10.564 10.221 309 HA MET 40 HA MET 40 8.086 9.798 8.265 310 HB2 MET 40 HB2 MET 40 8.021 9.130 11.229 311 HB3 MET 40 HB1 MET 40 9.386 8.806 10.167 312 HG2 MET 40 HG2 MET 40 8.258 11.539 10.807 313 HG3 MET 40 HG1 MET 40 9.751 10.851 11.446 314 HE1 MET 40 HE1 MET 40 12.021 10.729 8.209 315 HE2 MET 40 HE2 MET 40 11.037 9.424 8.866 316 HE3 MET 40 HE3 MET 40 11.972 10.453 9.953 317 H ALA 41 HN ALA 41 5.640 7.994 9.906 318 HA ALA 41 HA ALA 41 6.435 5.365 9.239 319 HB1 ALA 41 HB1 ALA 41 4.149 4.721 9.824 320 HB2 ALA 41 HB2 ALA 41 3.654 6.413 9.822 321 HB3 ALA 41 HB3 ALA 41 4.815 5.836 11.017 322 H VAL 42 HN VAL 42 4.478 7.817 7.437 323 HA VAL 42 HA VAL 42 3.683 6.033 5.369 324 HB VAL 42 HB VAL 42 3.078 7.852 3.956 325 HG11 VAL 42 HG11 VAL 42 1.707 9.336 5.380 326 HG12 VAL 42 HG12 VAL 42 2.565 8.740 6.805 327 HG13 VAL 42 HG13 VAL 42 1.574 7.636 5.847 328 HG21 VAL 42 HG21 VAL 42 5.200 9.206 4.118 329 HG22 VAL 42 HG22 VAL 42 4.605 9.883 5.627 330 HG23 VAL 42 HG23 VAL 42 3.728 10.174 4.135 331 H VAL 43 HN VAL 43 6.603 7.946 5.911 332 HA VAL 43 HA VAL 43 7.799 7.565 3.333 333 HB VAL 43 HB VAL 43 9.492 7.789 5.855 334 HG11 VAL 43 HG11 VAL 43 10.977 9.147 4.444 335 HG12 VAL 43 HG12 VAL 43 9.859 9.004 3.084 336 HG13 VAL 43 HG13 VAL 43 10.689 7.572 3.704 337 HG21 VAL 43 HG21 VAL 43 7.954 10.077 4.588 338 HG22 VAL 43 HG22 VAL 43 9.199 10.241 5.832 339 HG23 VAL 43 HG23 VAL 43 7.700 9.382 6.195 340 H ASN 44 HN ASN 44 8.120 5.862 6.395 341 HA ASN 44 HA ASN 44 10.004 3.923 5.694 342 HB2 ASN 44 HB2 ASN 44 7.873 4.013 7.845 343 HB3 ASN 44 HB1 ASN 44 9.008 2.665 7.722 344 HD21 ASN 44 HD21 ASN 44 8.624 4.717 9.826 345 HD22 ASN 44 HD22 ASN 44 10.175 5.438 10.042 346 H VAL 45 HN VAL 45 6.442 3.734 5.564 347 HA VAL 45 HA VAL 45 6.424 0.955 4.879 348 HB VAL 45 HB VAL 45 4.000 1.206 4.429 349 HG11 VAL 45 HG11 VAL 45 3.317 1.815 6.733 350 HG12 VAL 45 HG12 VAL 45 4.915 2.509 7.016 351 HG13 VAL 45 HG13 VAL 45 4.745 0.777 6.723 352 HG21 VAL 45 HG21 VAL 45 2.870 3.377 4.835 353 HG22 VAL 45 HG22 VAL 45 3.954 3.447 3.444 354 HG23 VAL 45 HG23 VAL 45 4.450 4.157 4.983 355 H ILE 46 HN ILE 46 6.412 3.960 2.943 356 HA ILE 46 HA ILE 46 5.900 2.705 0.431 357 HB ILE 46 HB ILE 46 7.540 5.220 0.998 358 HG12 ILE 46 HG12 ILE 46 4.656 4.896 0.034 359 HG13 ILE 46 HG11 ILE 46 5.129 5.326 1.674 360 HG21 ILE 46 HG21 ILE 46 7.248 5.780 -1.412 361 HG22 ILE 46 HG22 ILE 46 6.464 4.220 -1.681 362 HG23 ILE 46 HG23 ILE 46 8.162 4.285 -1.210 363 HD11 ILE 46 HD11 ILE 46 4.395 7.257 0.435 364 HD12 ILE 46 HD12 ILE 46 5.606 6.968 -0.811 365 HD13 ILE 46 HD13 ILE 46 6.107 7.412 0.824 366 H THR 47 HN THR 47 8.952 3.524 2.093 367 HA THR 47 HA THR 47 10.845 2.482 0.367 368 HB THR 47 HB THR 47 10.906 2.360 3.420 369 HG1 THR 47 HG1 THR 47 11.507 4.379 1.541 370 HG21 THR 47 HG21 THR 47 13.234 2.335 1.448 371 HG22 THR 47 HG22 THR 47 12.718 0.972 2.444 372 HG23 THR 47 HG23 THR 47 13.375 2.423 3.203 373 H ALA 48 HN ALA 48 9.105 0.800 2.954 374 HA ALA 48 HA ALA 48 10.294 -1.741 2.725 375 HB1 ALA 48 HB1 ALA 48 8.466 -2.498 4.169 376 HB2 ALA 48 HB2 ALA 48 7.582 -1.001 3.861 377 HB3 ALA 48 HB3 ALA 48 9.113 -0.954 4.733 378 H LEU 49 HN LEU 49 7.208 -0.497 1.393 379 HA LEU 49 HA LEU 49 6.286 -2.773 0.059 380 HB2 LEU 49 HB2 LEU 49 5.785 0.163 -0.155 381 HB3 LEU 49 HB1 LEU 49 5.423 -0.722 -1.616 382 HG LEU 49 HG LEU 49 3.417 -0.348 -0.199 383 HD11 LEU 49 HD11 LEU 49 3.432 -2.240 -1.729 384 HD12 LEU 49 HD12 LEU 49 2.517 -2.624 -0.273 385 HD13 LEU 49 HD13 LEU 49 4.146 -3.273 -0.486 386 HD21 LEU 49 HD21 LEU 49 3.092 -1.586 1.900 387 HD22 LEU 49 HD22 LEU 49 4.407 -0.426 2.027 388 HD23 LEU 49 HD23 LEU 49 4.770 -2.142 1.841 389 H GLU 50 HN GLU 50 8.463 -0.220 -1.082 390 HA GLU 50 HA GLU 50 8.883 -1.143 -3.710 391 HB2 GLU 50 HB2 GLU 50 10.652 0.595 -1.946 392 HB3 GLU 50 HB1 GLU 50 10.883 0.376 -3.681 393 HG2 GLU 50 HG2 GLU 50 8.670 1.365 -4.121 394 HG3 GLU 50 HG1 GLU 50 8.401 1.554 -2.394 395 H GLU 51 HN GLU 51 10.614 -1.850 -0.700 396 HA GLU 51 HA GLU 51 12.810 -3.254 -1.813 397 HB2 GLU 51 HB2 GLU 51 11.575 -3.325 0.969 398 HB3 GLU 51 HB1 GLU 51 13.060 -4.177 0.556 399 HG2 GLU 51 HG2 GLU 51 12.683 -1.178 0.319 400 HG3 GLU 51 HG1 GLU 51 13.421 -1.986 1.699 401 H TYR 52 HN TYR 52 9.772 -4.513 -0.339 402 HA TYR 52 HA TYR 52 10.447 -7.266 -0.788 403 HB2 TYR 52 HB2 TYR 52 7.800 -5.978 -0.030 404 HB3 TYR 52 HB1 TYR 52 8.034 -7.720 -0.141 405 HD1 TYR 52 HD1 TYR 52 9.728 -8.844 1.433 406 HD2 TYR 52 HD2 TYR 52 8.464 -4.801 1.964 407 HE1 TYR 52 HE1 TYR 52 10.506 -8.898 3.765 408 HE2 TYR 52 HE2 TYR 52 9.241 -4.855 4.279 409 HH TYR 52 HH TYR 52 9.617 -6.683 6.052 410 H PHE 53 HN PHE 53 8.140 -5.053 -2.416 411 HA PHE 53 HA PHE 53 7.305 -7.029 -4.344 412 HB2 PHE 53 HB2 PHE 53 6.799 -4.050 -4.087 413 HB3 PHE 53 HB1 PHE 53 6.208 -4.973 -5.464 414 HD1 PHE 53 HD2 PHE 53 6.186 -5.366 -1.688 415 HD2 PHE 53 HD1 PHE 53 3.956 -5.527 -5.327 416 HE1 PHE 53 HE2 PHE 53 4.140 -5.930 -0.436 417 HE2 PHE 53 HE1 PHE 53 1.934 -6.087 -4.071 418 HZ PHE 53 HZ PHE 53 2.016 -6.290 -1.621 419 H ASP 54 HN ASP 54 9.942 -4.811 -4.153 420 HA ASP 54 HA ASP 54 11.743 -4.430 -5.424 421 HB2 ASP 54 HB2 ASP 54 11.759 -6.939 -5.663 422 HB3 ASP 54 HB1 ASP 54 10.821 -6.778 -7.144 423 H PHE 55 HN PHE 55 9.690 -2.796 -5.786 424 HA PHE 55 HA PHE 55 10.043 -1.922 -8.581 425 HB2 PHE 55 HB2 PHE 55 7.691 -1.142 -8.691 426 HB3 PHE 55 HB1 PHE 55 7.807 -2.881 -8.518 427 HD1 PHE 55 HD1 PHE 55 8.094 -0.781 -5.447 428 HD2 PHE 55 HD2 PHE 55 5.422 -2.931 -7.980 429 HE1 PHE 55 HE1 PHE 55 6.381 -0.685 -3.720 430 HE2 PHE 55 HE2 PHE 55 3.709 -2.822 -6.237 431 HZ PHE 55 HZ PHE 55 4.183 -1.689 -4.098 432 H SER 56 HN SER 56 9.004 0.500 -8.627 433 HA SER 56 HA SER 56 9.674 1.917 -6.107 434 HB2 SER 56 HB2 SER 56 11.283 2.438 -7.957 435 HB3 SER 56 HB1 SER 56 9.936 2.992 -8.954 436 HG SER 56 HG SER 56 10.243 4.088 -6.389 437 H VAL 57 HN VAL 57 7.795 2.557 -5.173 438 HA VAL 57 HA VAL 57 5.329 2.977 -6.584 439 HB VAL 57 HB VAL 57 6.038 4.089 -3.813 440 HG11 VAL 57 HG11 VAL 57 3.609 4.042 -3.400 441 HG12 VAL 57 HG12 VAL 57 3.334 3.415 -5.028 442 HG13 VAL 57 HG13 VAL 57 3.988 5.037 -4.807 443 HG21 VAL 57 HG21 VAL 57 5.048 2.058 -2.826 444 HG22 VAL 57 HG22 VAL 57 6.459 1.665 -3.809 445 HG23 VAL 57 HG23 VAL 57 4.836 1.366 -4.438 446 H ASP 58 HN ASP 58 5.081 4.633 -7.966 447 HA ASP 58 HA ASP 58 7.111 6.659 -8.241 448 HB2 ASP 58 HB2 ASP 58 6.138 5.537 -10.199 449 HB3 ASP 58 HB1 ASP 58 4.544 6.170 -9.807 450 H ASP 59 HN ASP 59 6.898 8.918 -8.059 451 HA ASP 59 HA ASP 59 5.556 9.917 -5.848 452 HB2 ASP 59 HB2 ASP 59 7.523 11.025 -6.806 453 HB3 ASP 59 HB1 ASP 59 6.624 11.446 -8.258 454 H ASP 60 HN ASP 60 4.489 9.887 -9.207 455 HA ASP 60 HA ASP 60 2.445 11.868 -8.924 456 HB2 ASP 60 HB2 ASP 60 3.663 11.335 -11.056 457 HB3 ASP 60 HB1 ASP 60 2.806 9.801 -11.136 458 H GLU 61 HN GLU 61 2.526 8.455 -8.268 459 HA GLU 61 HA GLU 61 -0.427 8.222 -8.247 460 HB2 GLU 61 HB2 GLU 61 -0.175 5.854 -8.007 461 HB3 GLU 61 HB1 GLU 61 0.990 6.351 -9.225 462 HG2 GLU 61 HG2 GLU 61 2.748 6.332 -7.410 463 HG3 GLU 61 HG1 GLU 61 1.554 5.623 -6.342 464 H ILE 62 HN ILE 62 2.219 8.894 -6.179 465 HA ILE 62 HA ILE 62 1.028 7.933 -3.723 466 HB ILE 62 HB ILE 62 3.458 9.731 -4.164 467 HG12 ILE 62 HG12 ILE 62 3.334 6.755 -3.457 468 HG13 ILE 62 HG11 ILE 62 3.741 7.399 -5.042 469 HG21 ILE 62 HG21 ILE 62 2.519 8.375 -1.602 470 HG22 ILE 62 HG22 ILE 62 2.490 10.111 -1.934 471 HG23 ILE 62 HG23 ILE 62 4.029 9.260 -1.795 472 HD11 ILE 62 HD11 ILE 62 5.712 6.689 -3.848 473 HD12 ILE 62 HD12 ILE 62 5.342 7.779 -2.513 474 HD13 ILE 62 HD13 ILE 62 5.754 8.431 -4.104 475 H SER 63 HN SER 63 -0.819 8.973 -3.199 476 HA SER 63 HA SER 63 -0.514 11.771 -2.286 477 HB2 SER 63 HB2 SER 63 -2.186 11.685 -4.144 478 HB3 SER 63 HB1 SER 63 -3.077 10.427 -3.282 479 HG SER 63 HG SER 63 -2.597 13.077 -2.365 480 H ALA 64 HN ALA 64 -2.001 12.111 -0.308 481 HA ALA 64 HA ALA 64 -1.635 10.107 1.658 482 HB1 ALA 64 HB1 ALA 64 -3.098 11.457 3.096 483 HB2 ALA 64 HB2 ALA 64 -3.624 12.408 1.703 484 HB3 ALA 64 HB3 ALA 64 -1.945 12.485 2.244 485 H GLN 65 HN GLN 65 -4.239 10.831 -0.584 486 HA GLN 65 HA GLN 65 -6.257 9.126 0.439 487 HB2 GLN 65 HB2 GLN 65 -5.830 10.008 -2.441 488 HB3 GLN 65 HB1 GLN 65 -7.319 9.347 -1.773 489 HG2 GLN 65 HG2 GLN 65 -6.045 12.018 -1.135 490 HG3 GLN 65 HG1 GLN 65 -7.563 11.729 -1.976 491 HE21 GLN 65 HE21 GLN 65 -5.971 11.835 1.123 492 HE22 GLN 65 HE22 GLN 65 -7.398 11.747 2.095 493 H THR 66 HN THR 66 -3.344 8.372 -1.302 494 HA THR 66 HA THR 66 -4.013 5.840 -2.393 495 HB THR 66 HB THR 66 -1.336 6.934 -1.411 496 HG1 THR 66 HG1 THR 66 -1.743 6.706 -4.112 497 HG21 THR 66 HG21 THR 66 -1.830 4.543 -3.219 498 HG22 THR 66 HG22 THR 66 -1.159 4.483 -1.590 499 HG23 THR 66 HG23 THR 66 -0.254 5.265 -2.888 500 H PHE 67 HN PHE 67 -2.926 6.928 0.782 501 HA PHE 67 HA PHE 67 -2.824 4.217 1.904 502 HB2 PHE 67 HB2 PHE 67 -1.925 6.909 2.994 503 HB3 PHE 67 HB1 PHE 67 -1.801 5.399 3.895 504 HD1 PHE 67 HD2 PHE 67 -0.582 7.179 0.839 505 HD2 PHE 67 HD1 PHE 67 -0.017 3.826 3.446 506 HE1 PHE 67 HE2 PHE 67 1.551 6.662 -0.271 507 HE2 PHE 67 HE1 PHE 67 2.110 3.326 2.315 508 HZ PHE 67 HZ PHE 67 2.889 4.735 0.461 509 H GLU 68 HN GLU 68 -5.385 5.854 1.292 510 HA GLU 68 HA GLU 68 -6.634 6.439 3.760 511 HB2 GLU 68 HB2 GLU 68 -8.780 6.419 2.578 512 HB3 GLU 68 HB1 GLU 68 -7.568 7.263 1.621 513 HG2 GLU 68 HG2 GLU 68 -7.331 5.340 0.148 514 HG3 GLU 68 HG1 GLU 68 -8.434 4.400 1.150 515 H THR 69 HN THR 69 -6.718 3.456 1.770 516 HA THR 69 HA THR 69 -7.298 1.835 4.159 517 HB THR 69 HB THR 69 -8.968 0.471 2.839 518 HG1 THR 69 HG1 THR 69 -8.606 2.577 0.959 519 HG21 THR 69 HG21 THR 69 -9.823 2.144 4.457 520 HG22 THR 69 HG22 THR 69 -10.899 1.991 3.068 521 HG23 THR 69 HG23 THR 69 -9.813 3.375 3.190 522 H LEU 70 HN LEU 70 -6.922 -0.470 3.785 523 HA LEU 70 HA LEU 70 -4.478 -1.128 2.641 524 HB2 LEU 70 HB2 LEU 70 -5.561 -2.476 4.395 525 HB3 LEU 70 HB1 LEU 70 -6.846 -2.929 3.283 526 HG LEU 70 HG LEU 70 -5.110 -4.113 1.861 527 HD11 LEU 70 HD11 LEU 70 -2.917 -4.615 2.848 528 HD12 LEU 70 HD12 LEU 70 -3.278 -3.545 4.205 529 HD13 LEU 70 HD13 LEU 70 -3.132 -2.889 2.572 530 HD21 LEU 70 HD21 LEU 70 -5.414 -5.106 4.718 531 HD22 LEU 70 HD22 LEU 70 -4.866 -6.083 3.354 532 HD23 LEU 70 HD23 LEU 70 -6.501 -5.430 3.362 533 H GLY 71 HN GLY 71 -7.727 -1.373 1.366 534 HA2 GLY 71 HA2 GLY 71 -7.275 -2.954 -0.925 535 HA3 GLY 71 HA1 GLY 71 -8.656 -1.902 -0.648 536 H SER 72 HN SER 72 -7.162 0.534 -0.355 537 HA SER 72 HA SER 72 -6.939 1.388 -3.024 538 HB2 SER 72 HB2 SER 72 -5.829 2.694 -0.514 539 HB3 SER 72 HB1 SER 72 -6.104 3.494 -2.068 540 HG SER 72 HG SER 72 -8.322 3.031 -1.829 541 H LEU 73 HN LEU 73 -4.353 0.715 -0.571 542 HA LEU 73 HA LEU 73 -2.123 1.113 -2.238 543 HB2 LEU 73 HB2 LEU 73 -2.491 -0.744 0.143 544 HB3 LEU 73 HB1 LEU 73 -0.971 -0.652 -0.724 545 HG LEU 73 HG LEU 73 -0.753 0.667 1.247 546 HD11 LEU 73 HD11 LEU 73 0.323 1.616 -0.733 547 HD12 LEU 73 HD12 LEU 73 -0.198 2.881 0.375 548 HD13 LEU 73 HD13 LEU 73 -1.126 2.562 -1.091 549 HD21 LEU 73 HD21 LEU 73 -3.120 1.003 1.750 550 HD22 LEU 73 HD22 LEU 73 -3.244 2.186 0.446 551 HD23 LEU 73 HD23 LEU 73 -2.218 2.513 1.845 552 H ALA 74 HN ALA 74 -4.136 -1.735 -1.655 553 HA ALA 74 HA ALA 74 -2.702 -3.648 -3.079 554 HB1 ALA 74 HB1 ALA 74 -4.567 -4.156 -1.540 555 HB2 ALA 74 HB2 ALA 74 -4.706 -4.981 -3.091 556 HB3 ALA 74 HB3 ALA 74 -5.710 -3.561 -2.749 557 H LEU 75 HN LEU 75 -5.216 -1.369 -4.200 558 HA LEU 75 HA LEU 75 -5.435 -2.313 -6.858 559 HB2 LEU 75 HB2 LEU 75 -6.271 0.170 -5.427 560 HB3 LEU 75 HB1 LEU 75 -6.059 0.354 -7.153 561 HG LEU 75 HG LEU 75 -8.378 -0.081 -6.748 562 HD11 LEU 75 HD11 LEU 75 -8.782 -2.064 -8.108 563 HD12 LEU 75 HD12 LEU 75 -7.121 -2.609 -7.860 564 HD13 LEU 75 HD13 LEU 75 -7.442 -1.124 -8.761 565 HD21 LEU 75 HD21 LEU 75 -7.559 -2.579 -5.241 566 HD22 LEU 75 HD22 LEU 75 -9.212 -2.098 -5.629 567 HD23 LEU 75 HD23 LEU 75 -8.243 -1.106 -4.546 568 H PHE 76 HN PHE 76 -3.493 0.377 -5.494 569 HA PHE 76 HA PHE 76 -2.245 1.205 -7.865 570 HB2 PHE 76 HB2 PHE 76 -1.346 1.373 -4.966 571 HB3 PHE 76 HB1 PHE 76 -0.354 2.021 -6.271 572 HD1 PHE 76 HD1 PHE 76 -1.123 3.978 -7.599 573 HD2 PHE 76 HD2 PHE 76 -3.415 2.525 -4.305 574 HE1 PHE 76 HE1 PHE 76 -2.416 6.066 -7.565 575 HE2 PHE 76 HE2 PHE 76 -4.704 4.617 -4.273 576 HZ PHE 76 HZ PHE 76 -4.207 6.390 -5.906 577 H VAL 77 HN VAL 77 -1.142 -1.212 -5.477 578 HA VAL 77 HA VAL 77 1.246 -1.855 -6.918 579 HB VAL 77 HB VAL 77 1.667 -3.607 -5.278 580 HG11 VAL 77 HG11 VAL 77 2.240 -1.293 -4.662 581 HG12 VAL 77 HG12 VAL 77 1.767 -2.216 -3.235 582 HG13 VAL 77 HG13 VAL 77 0.639 -1.060 -3.955 583 HG21 VAL 77 HG21 VAL 77 -0.618 -4.472 -5.009 584 HG22 VAL 77 HG22 VAL 77 -1.082 -3.004 -4.152 585 HG23 VAL 77 HG23 VAL 77 0.112 -4.096 -3.448 586 H GLU 78 HN GLU 78 -2.059 -3.154 -7.031 587 HA GLU 78 HA GLU 78 -1.608 -5.525 -8.497 588 HB2 GLU 78 HB2 GLU 78 -3.904 -3.528 -8.854 589 HB3 GLU 78 HB1 GLU 78 -3.819 -5.061 -9.701 590 HG2 GLU 78 HG2 GLU 78 -4.247 -4.605 -6.753 591 HG3 GLU 78 HG1 GLU 78 -5.383 -5.261 -7.915 592 H HIS 79 HN HIS 79 -2.086 -2.163 -9.560 593 HA HIS 79 HA HIS 79 -1.812 -2.533 -12.327 594 HB2 HIS 79 HB2 HIS 79 -1.411 -0.100 -10.564 595 HB3 HIS 79 HB1 HIS 79 -1.227 -0.007 -12.311 596 HD1 HIS 79 HD1 HIS 79 -3.227 1.254 -13.069 597 HD2 HIS 79 HD2 HIS 79 -4.240 -1.657 -10.288 598 HE1 HIS 79 HE1 HIS 79 -5.724 1.341 -12.884 599 HE2 HIS 79 HE2 HIS 79 -6.318 -0.570 -11.366 600 H LYS 80 HN LYS 80 0.602 -1.742 -9.853 601 HA LYS 80 HA LYS 80 2.806 -1.076 -11.401 602 HB2 LYS 80 HB2 LYS 80 2.828 -2.607 -8.769 603 HB3 LYS 80 HB1 LYS 80 4.203 -1.752 -9.456 604 HG2 LYS 80 HG2 LYS 80 1.623 -0.473 -8.523 605 HG3 LYS 80 HG1 LYS 80 3.135 -0.504 -7.622 606 HD2 LYS 80 HD2 LYS 80 2.873 0.750 -10.368 607 HD3 LYS 80 HD1 LYS 80 2.600 1.650 -8.873 608 HE2 LYS 80 HE2 LYS 80 4.925 1.094 -8.152 609 HE3 LYS 80 HE1 LYS 80 5.182 0.272 -9.693 610 HZ1 LYS 80 HZ1 LYS 80 4.767 2.365 -10.825 611 HZ2 LYS 80 HZ2 LYS 80 6.055 2.508 -9.747 612 HZ3 LYS 80 HZ3 LYS 80 4.543 3.146 -9.346 613 H LEU 81 HN LEU 81 2.111 -4.306 -10.051 614 HA LEU 81 HA LEU 81 4.299 -5.525 -11.507 615 HB2 LEU 81 HB2 LEU 81 2.211 -6.758 -9.675 616 HB3 LEU 81 HB1 LEU 81 3.510 -7.664 -10.426 617 HG LEU 81 HG LEU 81 4.268 -7.293 -8.223 618 HD11 LEU 81 HD11 LEU 81 5.583 -5.074 -9.816 619 HD12 LEU 81 HD12 LEU 81 6.018 -6.783 -9.870 620 HD13 LEU 81 HD13 LEU 81 6.235 -5.869 -8.380 621 HD21 LEU 81 HD21 LEU 81 3.413 -4.396 -8.422 622 HD22 LEU 81 HD22 LEU 81 4.250 -5.129 -7.051 623 HD23 LEU 81 HD23 LEU 81 2.629 -5.670 -7.482 624 H SER 82 HN SER 82 0.997 -4.943 -12.233 625 HA SER 82 HA SER 82 0.691 -7.102 -14.147 626 HB2 SER 82 HB2 SER 82 -0.954 -4.588 -13.675 627 HB3 SER 82 HB1 SER 82 -1.403 -5.876 -14.798 628 HG SER 82 HG SER 82 -0.834 -6.427 -12.092 629 H HIS 83 HN HIS 83 2.357 -4.117 -14.170 630 HA HIS 83 HA HIS 83 2.161 -3.501 -16.975 631 HB2 HIS 83 HB2 HIS 83 4.272 -2.681 -14.928 632 HB3 HIS 83 HB1 HIS 83 4.160 -2.031 -16.561 633 HD1 HIS 83 HD1 HIS 83 3.696 -0.727 -13.526 634 HD2 HIS 83 HD2 HIS 83 0.986 -1.256 -16.631 635 HE1 HIS 83 HE1 HIS 83 1.891 0.969 -13.146 636 HE2 HIS 83 HE2 HIS 83 0.362 0.745 -15.126 637 H282 PNS 84 H282 PNS 84 8.147 14.795 7.506 638 H281 PNS 84 H281 PNS 84 8.794 13.266 6.924 639 H303 PNS 84 H303 PNS 84 5.871 15.679 6.502 640 H302 PNS 84 H302 PNS 84 5.075 14.742 5.236 641 H301 PNS 84 H301 PNS 84 5.118 14.126 6.886 642 H313 PNS 84 H313 PNS 84 7.585 12.019 5.007 643 H312 PNS 84 H312 PNS 84 6.160 11.952 6.046 644 H311 PNS 84 H311 PNS 84 6.037 12.613 4.412 645 H32 PNS 84 H32 PNS 84 8.072 15.748 5.151 646 H33 PNS 84 H33 PNS 84 9.345 14.214 3.580 647 H36 PNS 84 H36 PNS 84 7.806 13.175 2.766 648 H372 PNS 84 H372 PNS 84 6.508 14.936 0.844 649 H371 PNS 84 H371 PNS 84 7.152 13.318 0.555 650 H382 PNS 84 H382 PNS 84 4.662 13.675 2.229 651 H381 PNS 84 H381 PNS 84 4.561 13.687 0.465 652 H41 PNS 84 H41 PNS 84 3.099 11.826 1.328 653 H422 PNS 84 H422 PNS 84 3.945 9.420 0.329 654 H421 PNS 84 H421 PNS 84 4.365 9.343 2.044 655 H431 PNS 84 H431 PNS 84 2.080 9.669 2.688 656 H432 PNS 84 H432 PNS 84 2.128 8.371 1.487 657 H44 PNS 84 H44 PNS 84 0.891 9.613 -0.459 Start of MODEL 11 1 H MET 1 HT1 MET 1 -7.911 -8.707 -1.951 2 HA MET 1 HA MET 1 -7.657 -8.982 -4.881 3 HB2 MET 1 HB2 MET 1 -8.565 -6.736 -3.868 4 HB3 MET 1 HB1 MET 1 -6.938 -6.513 -3.229 5 HG2 MET 1 HG2 MET 1 -7.179 -5.311 -5.319 6 HG3 MET 1 HG1 MET 1 -6.050 -6.648 -5.543 7 HE1 MET 1 HE1 MET 1 -6.466 -6.272 -8.251 8 HE2 MET 1 HE2 MET 1 -7.707 -5.055 -7.951 9 HE3 MET 1 HE3 MET 1 -8.054 -6.428 -9.002 10 H GLN 2 HN GLN 2 -5.829 -10.058 -5.254 11 HA GLN 2 HA GLN 2 -4.466 -11.448 -3.466 12 HB2 GLN 2 HB2 GLN 2 -2.561 -11.681 -5.264 13 HB3 GLN 2 HB1 GLN 2 -4.173 -12.275 -5.610 14 HG2 GLN 2 HG2 GLN 2 -3.372 -9.491 -6.460 15 HG3 GLN 2 HG1 GLN 2 -2.892 -10.889 -7.421 16 HE21 GLN 2 HE21 GLN 2 -4.916 -8.581 -7.724 17 HE22 GLN 2 HE22 GLN 2 -6.334 -9.354 -8.319 18 H HIS 3 HN HIS 3 -3.145 -8.287 -4.596 19 HA HIS 3 HA HIS 3 -0.632 -8.631 -3.296 20 HB2 HIS 3 HB2 HIS 3 -1.984 -6.321 -4.667 21 HB3 HIS 3 HB1 HIS 3 -0.571 -5.994 -3.672 22 HD1 HIS 3 HD1 HIS 3 1.552 -7.698 -4.350 23 HD2 HIS 3 HD2 HIS 3 -1.230 -6.773 -7.265 24 HE1 HIS 3 HE1 HIS 3 2.699 -8.103 -6.521 25 HE2 HIS 3 HE2 HIS 3 0.937 -7.728 -8.266 26 H LEU 4 HN LEU 4 -3.713 -7.393 -2.143 27 HA LEU 4 HA LEU 4 -3.041 -5.699 -0.088 28 HB2 LEU 4 HB2 LEU 4 -5.206 -5.831 0.617 29 HB3 LEU 4 HB1 LEU 4 -5.424 -6.685 -0.893 30 HG LEU 4 HG LEU 4 -5.069 -8.070 1.811 31 HD11 LEU 4 HD11 LEU 4 -7.486 -8.465 1.817 32 HD12 LEU 4 HD12 LEU 4 -7.661 -7.503 0.349 33 HD13 LEU 4 HD13 LEU 4 -7.115 -6.741 1.844 34 HD21 LEU 4 HD21 LEU 4 -4.490 -9.530 -0.112 35 HD22 LEU 4 HD22 LEU 4 -6.092 -9.257 -0.796 36 HD23 LEU 4 HD23 LEU 4 -5.920 -10.097 0.746 37 H GLU 5 HN GLU 5 -2.624 -9.152 -0.138 38 HA GLU 5 HA GLU 5 -2.452 -9.706 2.632 39 HB2 GLU 5 HB2 GLU 5 -2.854 -11.451 0.934 40 HB3 GLU 5 HB1 GLU 5 -1.261 -11.187 0.240 41 HG2 GLU 5 HG2 GLU 5 -1.209 -13.201 1.570 42 HG3 GLU 5 HG1 GLU 5 -0.233 -11.972 2.378 43 H ALA 6 HN ALA 6 0.084 -9.139 0.170 44 HA ALA 6 HA ALA 6 2.244 -9.238 2.076 45 HB1 ALA 6 HB1 ALA 6 2.588 -9.966 -0.235 46 HB2 ALA 6 HB2 ALA 6 3.680 -8.642 0.186 47 HB3 ALA 6 HB3 ALA 6 2.256 -8.328 -0.810 48 H VAL 7 HN VAL 7 0.181 -6.703 0.746 49 HA VAL 7 HA VAL 7 1.791 -4.481 1.515 50 HB VAL 7 HB VAL 7 -1.259 -4.570 1.274 51 HG11 VAL 7 HG11 VAL 7 0.626 -2.170 1.300 52 HG12 VAL 7 HG12 VAL 7 -0.463 -2.641 2.605 53 HG13 VAL 7 HG13 VAL 7 -1.122 -2.110 1.064 54 HG21 VAL 7 HG21 VAL 7 0.799 -3.717 -0.813 55 HG22 VAL 7 HG22 VAL 7 -0.957 -3.570 -0.979 56 HG23 VAL 7 HG23 VAL 7 -0.207 -5.168 -0.877 57 H ARG 8 HN ARG 8 -0.882 -6.222 3.154 58 HA ARG 8 HA ARG 8 -0.793 -4.623 5.552 59 HB2 ARG 8 HB2 ARG 8 -2.415 -6.168 6.515 60 HB3 ARG 8 HB1 ARG 8 -2.899 -5.720 4.884 61 HG2 ARG 8 HG2 ARG 8 -2.007 -7.900 4.056 62 HG3 ARG 8 HG1 ARG 8 -1.635 -8.357 5.726 63 HD2 ARG 8 HD2 ARG 8 -3.976 -8.386 6.308 64 HD3 ARG 8 HD1 ARG 8 -4.433 -7.575 4.808 65 HE ARG 8 HE ARG 8 -3.152 -10.044 4.259 66 HH11 ARG 8 HH11 ARG 8 -6.234 -8.850 5.485 67 HH12 ARG 8 HH12 ARG 8 -7.141 -10.163 4.809 68 HH21 ARG 8 HH21 ARG 8 -4.392 -11.748 3.367 69 HH22 ARG 8 HH22 ARG 8 -6.103 -11.796 3.615 70 H ASN 9 HN ASN 9 0.819 -7.493 4.403 71 HA ASN 9 HA ASN 9 1.916 -8.461 6.804 72 HB2 ASN 9 HB2 ASN 9 2.095 -9.786 4.791 73 HB3 ASN 9 HB1 ASN 9 2.882 -8.487 3.914 74 HD21 ASN 9 HD21 ASN 9 5.092 -8.211 4.123 75 HD22 ASN 9 HD22 ASN 9 6.114 -9.345 4.931 76 H ILE 10 HN ILE 10 3.111 -6.126 4.424 77 HA ILE 10 HA ILE 10 5.469 -5.276 5.701 78 HB ILE 10 HB ILE 10 3.648 -3.959 3.650 79 HG12 ILE 10 HG12 ILE 10 6.421 -5.196 3.385 80 HG13 ILE 10 HG11 ILE 10 4.914 -5.982 2.941 81 HG21 ILE 10 HG21 ILE 10 6.295 -2.852 4.646 82 HG22 ILE 10 HG22 ILE 10 4.708 -2.102 4.812 83 HG23 ILE 10 HG23 ILE 10 5.433 -2.273 3.216 84 HD11 ILE 10 HD11 ILE 10 6.041 -5.173 0.989 85 HD12 ILE 10 HD12 ILE 10 6.107 -3.539 1.651 86 HD13 ILE 10 HD13 ILE 10 4.551 -4.261 1.223 87 H LEU 11 HN LEU 11 2.171 -3.905 5.784 88 HA LEU 11 HA LEU 11 2.722 -1.675 7.436 89 HB2 LEU 11 HB2 LEU 11 0.133 -3.236 7.077 90 HB3 LEU 11 HB1 LEU 11 0.248 -1.654 7.834 91 HG LEU 11 HG LEU 11 1.000 -2.189 4.934 92 HD11 LEU 11 HD11 LEU 11 -1.374 -2.633 5.249 93 HD12 LEU 11 HD12 LEU 11 -1.129 -1.164 4.310 94 HD13 LEU 11 HD13 LEU 11 -1.588 -1.057 6.012 95 HD21 LEU 11 HD21 LEU 11 0.571 0.439 6.402 96 HD22 LEU 11 HD22 LEU 11 0.900 0.263 4.677 97 HD23 LEU 11 HD23 LEU 11 2.119 -0.212 5.856 98 H GLY 12 HN GLY 12 1.666 -4.973 8.177 99 HA2 GLY 12 HA2 GLY 12 1.408 -4.699 10.980 100 HA3 GLY 12 HA1 GLY 12 1.564 -6.199 10.085 101 H ASP 13 HN ASP 13 4.168 -5.193 8.902 102 HA ASP 13 HA ASP 13 5.932 -6.051 11.027 103 HB2 ASP 13 HB2 ASP 13 6.195 -6.833 8.659 104 HB3 ASP 13 HB1 ASP 13 6.545 -5.183 8.163 105 H VAL 14 HN VAL 14 5.427 -3.079 9.132 106 HA VAL 14 HA VAL 14 7.641 -1.651 10.291 107 HB VAL 14 HB VAL 14 5.327 -0.631 8.571 108 HG11 VAL 14 HG11 VAL 14 7.888 0.810 9.366 109 HG12 VAL 14 HG12 VAL 14 6.250 1.218 9.881 110 HG13 VAL 14 HG13 VAL 14 6.709 1.399 8.187 111 HG21 VAL 14 HG21 VAL 14 8.201 -1.277 7.787 112 HG22 VAL 14 HG22 VAL 14 6.959 -0.616 6.718 113 HG23 VAL 14 HG23 VAL 14 6.774 -2.236 7.385 114 H LEU 15 HN LEU 15 4.070 -1.239 10.485 115 HA LEU 15 HA LEU 15 4.306 0.734 12.623 116 HB2 LEU 15 HB2 LEU 15 1.793 -0.509 11.431 117 HB3 LEU 15 HB1 LEU 15 1.820 0.814 12.575 118 HG LEU 15 HG LEU 15 1.441 1.974 10.618 119 HD11 LEU 15 HD11 LEU 15 4.466 1.910 10.605 120 HD12 LEU 15 HD12 LEU 15 3.445 2.913 11.642 121 HD13 LEU 15 HD13 LEU 15 3.426 3.151 9.895 122 HD21 LEU 15 HD21 LEU 15 2.326 1.446 8.399 123 HD22 LEU 15 HD22 LEU 15 1.490 0.066 9.100 124 HD23 LEU 15 HD23 LEU 15 3.253 0.100 9.072 125 H ASN 16 HN ASN 16 4.102 -2.622 12.378 126 HA ASN 16 HA ASN 16 3.996 -4.325 13.799 127 HB2 ASN 16 HB2 ASN 16 5.542 -2.974 15.245 128 HB3 ASN 16 HB1 ASN 16 4.150 -2.289 16.073 129 HD21 ASN 16 HD21 ASN 16 6.140 -5.094 15.663 130 HD22 ASN 16 HD22 ASN 16 5.522 -5.998 16.998 131 H LEU 17 HN LEU 17 1.737 -4.008 12.667 132 HA LEU 17 HA LEU 17 -0.438 -4.037 14.570 133 HB2 LEU 17 HB2 LEU 17 -0.279 -4.967 11.675 134 HB3 LEU 17 HB1 LEU 17 -1.717 -5.184 12.649 135 HG LEU 17 HG LEU 17 -2.110 -3.278 11.265 136 HD11 LEU 17 HD11 LEU 17 -2.924 -3.019 13.551 137 HD12 LEU 17 HD12 LEU 17 -2.510 -1.466 12.838 138 HD13 LEU 17 HD13 LEU 17 -1.425 -2.211 14.015 139 HD21 LEU 17 HD21 LEU 17 -0.666 -1.290 11.157 140 HD22 LEU 17 HD22 LEU 17 0.158 -2.736 10.581 141 HD23 LEU 17 HD23 LEU 17 0.526 -2.096 12.184 142 H GLY 18 HN GLY 18 1.912 -6.285 13.300 143 HA2 GLY 18 HA2 GLY 18 2.622 -8.318 14.002 144 HA3 GLY 18 HA1 GLY 18 1.698 -8.049 15.473 145 H GLU 19 HN GLU 19 -0.193 -9.141 15.753 146 HA GLU 19 HA GLU 19 -0.938 -11.256 13.855 147 HB2 GLU 19 HB2 GLU 19 -2.387 -12.052 15.712 148 HB3 GLU 19 HB1 GLU 19 -0.720 -11.835 16.238 149 HG2 GLU 19 HG2 GLU 19 -1.324 -9.673 17.271 150 HG3 GLU 19 HG1 GLU 19 -2.989 -9.886 16.735 151 H ARG 20 HN ARG 20 -2.004 -8.132 14.854 152 HA ARG 20 HA ARG 20 -4.784 -8.379 14.253 153 HB2 ARG 20 HB2 ARG 20 -3.818 -6.739 15.887 154 HB3 ARG 20 HB1 ARG 20 -3.133 -5.833 14.549 155 HG2 ARG 20 HG2 ARG 20 -6.110 -6.325 14.610 156 HG3 ARG 20 HG1 ARG 20 -5.432 -5.109 15.689 157 HD2 ARG 20 HD2 ARG 20 -4.646 -3.789 13.852 158 HD3 ARG 20 HD1 ARG 20 -4.934 -5.093 12.698 159 HE ARG 20 HE ARG 20 -7.339 -4.789 13.132 160 HH11 ARG 20 HH11 ARG 20 -5.236 -2.096 13.916 161 HH12 ARG 20 HH12 ARG 20 -6.468 -0.907 13.656 162 HH21 ARG 20 HH21 ARG 20 -8.941 -3.240 12.797 163 HH22 ARG 20 HH22 ARG 20 -8.583 -1.556 13.022 164 H LYS 21 HN LYS 21 -1.955 -7.717 12.290 165 HA LYS 21 HA LYS 21 -3.238 -6.577 10.033 166 HB2 LYS 21 HB2 LYS 21 -1.303 -7.191 8.729 167 HB3 LYS 21 HB1 LYS 21 -0.792 -6.563 10.295 168 HG2 LYS 21 HG2 LYS 21 -0.235 -8.730 11.095 169 HG3 LYS 21 HG1 LYS 21 -1.033 -9.524 9.735 170 HD2 LYS 21 HD2 LYS 21 0.681 -8.350 8.238 171 HD3 LYS 21 HD1 LYS 21 1.542 -7.926 9.718 172 HE2 LYS 21 HE2 LYS 21 0.829 -10.743 8.945 173 HE3 LYS 21 HE1 LYS 21 2.363 -9.983 8.527 174 HZ1 LYS 21 HZ1 LYS 21 2.744 -9.653 10.913 175 HZ2 LYS 21 HZ2 LYS 21 2.632 -11.278 10.488 176 HZ3 LYS 21 HZ3 LYS 21 1.335 -10.516 11.252 177 H HIS 22 HN HIS 22 -3.254 -9.786 11.312 178 HA HIS 22 HA HIS 22 -3.974 -11.150 8.860 179 HB2 HIS 22 HB2 HIS 22 -2.628 -12.260 10.643 180 HB3 HIS 22 HB1 HIS 22 -4.005 -12.156 11.731 181 HD1 HIS 22 HD1 HIS 22 -5.886 -13.888 11.426 182 HD2 HIS 22 HD2 HIS 22 -2.837 -14.222 8.619 183 HE1 HIS 22 HE1 HIS 22 -6.277 -16.071 10.257 184 HE2 HIS 22 HE2 HIS 22 -4.501 -16.189 8.484 185 H THR 23 HN THR 23 -5.683 -9.532 11.427 186 HA THR 23 HA THR 23 -8.230 -10.870 10.775 187 HB THR 23 HB THR 23 -7.636 -10.560 13.186 188 HG1 THR 23 HG1 THR 23 -9.818 -10.791 12.514 189 HG21 THR 23 HG21 THR 23 -8.146 -7.609 12.664 190 HG22 THR 23 HG22 THR 23 -6.599 -8.323 13.109 191 HG23 THR 23 HG23 THR 23 -7.938 -8.354 14.252 192 H LEU 24 HN LEU 24 -6.549 -8.031 9.876 193 HA LEU 24 HA LEU 24 -9.021 -6.575 9.201 194 HB2 LEU 24 HB2 LEU 24 -7.582 -4.675 8.573 195 HB3 LEU 24 HB1 LEU 24 -7.370 -5.180 10.228 196 HG LEU 24 HG LEU 24 -5.209 -6.384 9.390 197 HD11 LEU 24 HD11 LEU 24 -4.104 -5.359 7.439 198 HD12 LEU 24 HD12 LEU 24 -5.588 -4.480 7.058 199 HD13 LEU 24 HD13 LEU 24 -5.562 -6.241 6.984 200 HD21 LEU 24 HD21 LEU 24 -5.179 -4.416 10.851 201 HD22 LEU 24 HD22 LEU 24 -5.319 -3.347 9.452 202 HD23 LEU 24 HD23 LEU 24 -3.874 -4.340 9.671 203 H THR 25 HN THR 25 -9.475 -5.915 7.069 204 HA THR 25 HA THR 25 -8.371 -7.636 4.917 205 HB THR 25 HB THR 25 -10.653 -7.632 3.905 206 HG1 THR 25 HG1 THR 25 -11.668 -6.508 6.312 207 HG21 THR 25 HG21 THR 25 -10.060 -9.496 5.441 208 HG22 THR 25 HG22 THR 25 -11.785 -9.131 5.502 209 HG23 THR 25 HG23 THR 25 -10.722 -8.580 6.798 210 H ALA 26 HN ALA 26 -9.549 -6.430 2.709 211 HA ALA 26 HA ALA 26 -7.951 -4.164 2.232 212 HB1 ALA 26 HB1 ALA 26 -8.770 -5.633 0.438 213 HB2 ALA 26 HB2 ALA 26 -9.178 -3.949 0.115 214 HB3 ALA 26 HB3 ALA 26 -10.417 -5.060 0.705 215 H SER 27 HN SER 27 -11.069 -4.412 3.704 216 HA SER 27 HA SER 27 -12.045 -1.780 3.175 217 HB2 SER 27 HB2 SER 27 -13.504 -3.736 3.653 218 HB3 SER 27 HB1 SER 27 -12.897 -3.778 5.307 219 HG SER 27 HG SER 27 -14.099 -1.469 4.209 220 H SER 28 HN SER 28 -9.685 -2.950 5.385 221 HA SER 28 HA SER 28 -10.157 -1.280 7.629 222 HB2 SER 28 HB2 SER 28 -7.894 -1.918 8.370 223 HB3 SER 28 HB1 SER 28 -8.757 -3.328 7.758 224 HG SER 28 HG SER 28 -7.259 -3.559 6.316 225 H VAL 29 HN VAL 29 -9.835 0.828 7.848 226 HA VAL 29 HA VAL 29 -8.510 2.464 5.865 227 HB VAL 29 HB VAL 29 -9.723 3.176 8.590 228 HG11 VAL 29 HG11 VAL 29 -8.922 5.080 6.357 229 HG12 VAL 29 HG12 VAL 29 -8.123 4.911 7.921 230 HG13 VAL 29 HG13 VAL 29 -9.772 5.524 7.839 231 HG21 VAL 29 HG21 VAL 29 -11.406 2.263 7.073 232 HG22 VAL 29 HG22 VAL 29 -10.937 3.406 5.810 233 HG23 VAL 29 HG23 VAL 29 -11.675 3.992 7.304 234 H LEU 30 HN LEU 30 -6.541 3.667 6.291 235 HA LEU 30 HA LEU 30 -4.838 2.505 8.429 236 HB2 LEU 30 HB2 LEU 30 -3.960 3.627 5.751 237 HB3 LEU 30 HB1 LEU 30 -2.912 2.923 6.974 238 HG LEU 30 HG LEU 30 -5.007 1.453 5.330 239 HD11 LEU 30 HD11 LEU 30 -3.105 0.313 4.324 240 HD12 LEU 30 HD12 LEU 30 -1.991 1.270 5.300 241 HD13 LEU 30 HD13 LEU 30 -2.998 2.056 4.083 242 HD21 LEU 30 HD21 LEU 30 -4.920 0.456 7.579 243 HD22 LEU 30 HD22 LEU 30 -3.164 0.314 7.473 244 HD23 LEU 30 HD23 LEU 30 -4.194 -0.627 6.393 245 H LEU 31 HN LEU 31 -4.658 5.424 6.336 246 HA LEU 31 HA LEU 31 -3.584 7.148 8.221 247 HB2 LEU 31 HB2 LEU 31 -5.337 7.712 5.808 248 HB3 LEU 31 HB1 LEU 31 -4.571 8.983 6.746 249 HG LEU 31 HG LEU 31 -3.050 6.786 5.292 250 HD11 LEU 31 HD11 LEU 31 -3.509 9.656 4.444 251 HD12 LEU 31 HD12 LEU 31 -4.171 8.213 3.673 252 HD13 LEU 31 HD13 LEU 31 -2.434 8.501 3.649 253 HD21 LEU 31 HD21 LEU 31 -2.024 9.337 6.592 254 HD22 LEU 31 HD22 LEU 31 -1.057 8.154 5.709 255 HD23 LEU 31 HD23 LEU 31 -1.820 7.703 7.229 256 H GLY 32 HN GLY 32 -4.373 7.603 10.127 257 HA2 GLY 32 HA2 GLY 32 -5.752 8.872 11.542 258 HA3 GLY 32 HA1 GLY 32 -7.115 8.632 10.461 259 H ASN 33 HN ASN 33 -6.667 5.719 10.255 260 HA ASN 33 HA ASN 33 -8.239 4.946 12.574 261 HB2 ASN 33 HB2 ASN 33 -8.765 4.115 10.275 262 HB3 ASN 33 HB1 ASN 33 -7.234 3.241 10.253 263 HD21 ASN 33 HD21 ASN 33 -7.913 1.119 10.261 264 HD22 ASN 33 HD22 ASN 33 -8.934 0.428 11.463 265 H ILE 34 HN ILE 34 -5.068 4.053 11.190 266 HA ILE 34 HA ILE 34 -4.330 2.513 13.557 267 HB ILE 34 HB ILE 34 -2.541 3.100 11.152 268 HG12 ILE 34 HG12 ILE 34 -4.574 1.981 10.285 269 HG13 ILE 34 HG11 ILE 34 -3.202 0.887 10.205 270 HG21 ILE 34 HG21 ILE 34 -2.409 0.920 13.269 271 HG22 ILE 34 HG22 ILE 34 -1.339 2.315 13.124 272 HG23 ILE 34 HG23 ILE 34 -1.321 1.063 11.883 273 HD11 ILE 34 HD11 ILE 34 -5.416 0.822 12.261 274 HD12 ILE 34 HD12 ILE 34 -4.038 -0.280 12.206 275 HD13 ILE 34 HD13 ILE 34 -5.214 -0.272 10.893 276 HA PRO 35 HA PRO 35 -2.615 6.443 15.047 277 HB2 PRO 35 HB2 PRO 35 -2.138 5.723 17.615 278 HB3 PRO 35 HB1 PRO 35 -3.783 5.950 17.009 279 HG2 PRO 35 HG2 PRO 35 -2.260 3.397 17.452 280 HG3 PRO 35 HG1 PRO 35 -3.963 3.760 17.806 281 HD2 PRO 35 HD2 PRO 35 -3.078 2.406 15.537 282 HD3 PRO 35 HD1 PRO 35 -4.625 3.260 15.643 283 H GLU 36 HN GLU 36 -0.983 3.542 14.452 284 HA GLU 36 HA GLU 36 1.624 4.364 15.480 285 HB2 GLU 36 HB2 GLU 36 0.961 1.931 13.767 286 HB3 GLU 36 HB1 GLU 36 2.361 2.163 14.806 287 HG2 GLU 36 HG2 GLU 36 -0.507 1.716 15.681 288 HG3 GLU 36 HG1 GLU 36 0.839 0.588 15.828 289 H LEU 37 HN LEU 37 -0.266 4.707 12.659 290 HA LEU 37 HA LEU 37 1.947 4.811 10.757 291 HB2 LEU 37 HB2 LEU 37 -0.222 3.812 10.092 292 HB3 LEU 37 HB1 LEU 37 -1.021 5.349 10.373 293 HG LEU 37 HG LEU 37 0.355 6.365 8.525 294 HD11 LEU 37 HD11 LEU 37 2.292 4.869 8.576 295 HD12 LEU 37 HD12 LEU 37 1.583 4.919 6.964 296 HD13 LEU 37 HD13 LEU 37 1.295 3.524 8.010 297 HD21 LEU 37 HD21 LEU 37 -0.896 5.347 6.677 298 HD22 LEU 37 HD22 LEU 37 -1.929 5.571 8.093 299 HD23 LEU 37 HD23 LEU 37 -1.308 3.961 7.696 300 H ASP 38 HN ASP 38 3.136 6.502 11.666 301 HA ASP 38 HA ASP 38 2.133 9.218 11.846 302 HB2 ASP 38 HB2 ASP 38 3.796 8.270 13.459 303 HB3 ASP 38 HB1 ASP 38 4.924 7.995 12.141 304 H SER 39 HN SER 39 3.455 10.949 10.692 305 HA SER 39 HA SER 39 3.592 10.995 7.964 306 HB2 SER 39 HB2 SER 39 3.778 12.965 9.386 307 HB3 SER 39 HB1 SER 39 5.320 12.393 10.034 308 H MET 40 HN MET 40 6.596 10.658 9.946 309 HA MET 40 HA MET 40 8.228 9.750 7.847 310 HB2 MET 40 HB2 MET 40 8.597 9.288 10.831 311 HB3 MET 40 HB1 MET 40 9.832 9.034 9.600 312 HG2 MET 40 HG2 MET 40 8.551 11.674 10.330 313 HG3 MET 40 HG1 MET 40 10.195 11.159 10.709 314 HE1 MET 40 HE1 MET 40 11.273 13.344 9.660 315 HE2 MET 40 HE2 MET 40 9.649 13.959 9.346 316 HE3 MET 40 HE3 MET 40 10.858 13.964 8.064 317 H ALA 41 HN ALA 41 5.992 7.995 9.852 318 HA ALA 41 HA ALA 41 6.898 5.356 9.232 319 HB1 ALA 41 HB1 ALA 41 4.814 4.595 10.189 320 HB2 ALA 41 HB2 ALA 41 4.147 6.225 10.134 321 HB3 ALA 41 HB3 ALA 41 5.507 5.865 11.196 322 H VAL 42 HN VAL 42 4.649 7.600 7.530 323 HA VAL 42 HA VAL 42 3.733 5.681 5.624 324 HB VAL 42 HB VAL 42 2.951 7.408 4.202 325 HG11 VAL 42 HG11 VAL 42 1.734 9.018 5.610 326 HG12 VAL 42 HG12 VAL 42 2.734 8.549 6.989 327 HG13 VAL 42 HG13 VAL 42 1.659 7.370 6.241 328 HG21 VAL 42 HG21 VAL 42 3.620 9.786 4.234 329 HG22 VAL 42 HG22 VAL 42 4.985 8.735 3.881 330 HG23 VAL 42 HG23 VAL 42 4.811 9.439 5.472 331 H VAL 43 HN VAL 43 6.598 7.718 5.878 332 HA VAL 43 HA VAL 43 7.670 7.185 3.264 333 HB VAL 43 HB VAL 43 9.442 7.770 5.664 334 HG11 VAL 43 HG11 VAL 43 10.585 7.414 3.509 335 HG12 VAL 43 HG12 VAL 43 10.764 9.082 4.051 336 HG13 VAL 43 HG13 VAL 43 9.618 8.695 2.764 337 HG21 VAL 43 HG21 VAL 43 7.670 9.784 4.238 338 HG22 VAL 43 HG22 VAL 43 8.941 10.175 5.405 339 HG23 VAL 43 HG23 VAL 43 7.532 9.243 5.914 340 H ASN 44 HN ASN 44 8.062 5.691 6.412 341 HA ASN 44 HA ASN 44 9.957 3.724 5.872 342 HB2 ASN 44 HB2 ASN 44 7.701 3.931 7.867 343 HB3 ASN 44 HB1 ASN 44 8.762 2.519 7.851 344 HD21 ASN 44 HD21 ASN 44 8.376 4.507 9.955 345 HD22 ASN 44 HD22 ASN 44 9.925 5.205 10.244 346 H VAL 45 HN VAL 45 6.395 3.502 5.614 347 HA VAL 45 HA VAL 45 6.447 0.731 4.844 348 HB VAL 45 HB VAL 45 4.035 0.932 4.374 349 HG11 VAL 45 HG11 VAL 45 3.295 1.513 6.656 350 HG12 VAL 45 HG12 VAL 45 4.857 2.275 6.973 351 HG13 VAL 45 HG13 VAL 45 4.764 0.538 6.675 352 HG21 VAL 45 HG21 VAL 45 4.379 3.890 4.954 353 HG22 VAL 45 HG22 VAL 45 2.830 3.057 4.761 354 HG23 VAL 45 HG23 VAL 45 3.945 3.176 3.397 355 H ILE 46 HN ILE 46 6.483 3.777 3.029 356 HA ILE 46 HA ILE 46 5.971 2.690 0.440 357 HB ILE 46 HB ILE 46 7.587 5.161 1.223 358 HG12 ILE 46 HG12 ILE 46 4.763 4.982 0.068 359 HG13 ILE 46 HG11 ILE 46 5.112 5.142 1.784 360 HG21 ILE 46 HG21 ILE 46 7.390 5.904 -1.149 361 HG22 ILE 46 HG22 ILE 46 6.659 4.355 -1.573 362 HG23 ILE 46 HG23 ILE 46 8.328 4.415 -1.008 363 HD11 ILE 46 HD11 ILE 46 5.834 7.152 -0.343 364 HD12 ILE 46 HD12 ILE 46 6.127 7.312 1.391 365 HD13 ILE 46 HD13 ILE 46 4.478 7.251 0.778 366 H THR 47 HN THR 47 8.984 3.351 2.201 367 HA THR 47 HA THR 47 10.851 2.373 0.360 368 HB THR 47 HB THR 47 11.054 2.386 3.409 369 HG1 THR 47 HG1 THR 47 11.066 4.465 3.062 370 HG21 THR 47 HG21 THR 47 13.506 2.424 3.066 371 HG22 THR 47 HG22 THR 47 13.281 2.258 1.324 372 HG23 THR 47 HG23 THR 47 12.810 0.943 2.409 373 H ALA 48 HN ALA 48 9.160 0.726 3.007 374 HA ALA 48 HA ALA 48 10.288 -1.837 2.703 375 HB1 ALA 48 HB1 ALA 48 8.412 -2.602 4.089 376 HB2 ALA 48 HB2 ALA 48 7.598 -1.054 3.846 377 HB3 ALA 48 HB3 ALA 48 9.123 -1.119 4.729 378 H LEU 49 HN LEU 49 7.424 -0.329 1.181 379 HA LEU 49 HA LEU 49 6.423 -2.548 -0.229 380 HB2 LEU 49 HB2 LEU 49 6.060 0.389 -0.353 381 HB3 LEU 49 HB1 LEU 49 5.931 -0.341 -1.934 382 HG LEU 49 HG LEU 49 3.717 -0.063 -0.952 383 HD11 LEU 49 HD11 LEU 49 4.488 -2.990 -1.062 384 HD12 LEU 49 HD12 LEU 49 4.038 -1.969 -2.431 385 HD13 LEU 49 HD13 LEU 49 2.848 -2.341 -1.186 386 HD21 LEU 49 HD21 LEU 49 4.277 -0.114 1.426 387 HD22 LEU 49 HD22 LEU 49 4.633 -1.841 1.329 388 HD23 LEU 49 HD23 LEU 49 2.986 -1.260 1.063 389 H GLU 50 HN GLU 50 8.855 -0.102 -1.161 390 HA GLU 50 HA GLU 50 9.635 -0.920 -3.689 391 HB2 GLU 50 HB2 GLU 50 11.674 -0.118 -1.564 392 HB3 GLU 50 HB1 GLU 50 11.803 0.085 -3.303 393 HG2 GLU 50 HG2 GLU 50 9.709 1.549 -1.712 394 HG3 GLU 50 HG1 GLU 50 11.354 2.151 -1.806 395 H GLU 51 HN GLU 51 10.781 -2.077 -0.521 396 HA GLU 51 HA GLU 51 12.830 -3.782 -1.426 397 HB2 GLU 51 HB2 GLU 51 11.282 -4.124 1.176 398 HB3 GLU 51 HB1 GLU 51 12.914 -4.683 0.840 399 HG2 GLU 51 HG2 GLU 51 11.965 -1.856 1.286 400 HG3 GLU 51 HG1 GLU 51 13.117 -2.772 2.244 401 H TYR 52 HN TYR 52 9.629 -4.771 -0.099 402 HA TYR 52 HA TYR 52 10.150 -7.543 -0.599 403 HB2 TYR 52 HB2 TYR 52 7.566 -6.180 0.246 404 HB3 TYR 52 HB1 TYR 52 7.830 -7.922 0.253 405 HD1 TYR 52 HD1 TYR 52 9.402 -8.947 1.950 406 HD2 TYR 52 HD2 TYR 52 8.513 -4.780 1.989 407 HE1 TYR 52 HE1 TYR 52 10.310 -8.758 4.233 408 HE2 TYR 52 HE2 TYR 52 9.424 -4.584 4.238 409 HH TYR 52 HH TYR 52 9.770 -6.073 6.207 410 H PHE 53 HN PHE 53 8.165 -5.111 -2.303 411 HA PHE 53 HA PHE 53 7.161 -7.132 -4.173 412 HB2 PHE 53 HB2 PHE 53 6.707 -4.146 -3.952 413 HB3 PHE 53 HB1 PHE 53 6.055 -5.110 -5.272 414 HD1 PHE 53 HD2 PHE 53 6.184 -5.588 -1.514 415 HD2 PHE 53 HD1 PHE 53 3.752 -5.322 -5.016 416 HE1 PHE 53 HE2 PHE 53 4.173 -6.006 -0.170 417 HE2 PHE 53 HE1 PHE 53 1.754 -5.747 -3.665 418 HZ PHE 53 HZ PHE 53 1.959 -6.080 -1.238 419 H ASP 54 HN ASP 54 9.878 -5.018 -3.945 420 HA ASP 54 HA ASP 54 11.682 -4.641 -5.240 421 HB2 ASP 54 HB2 ASP 54 10.610 -6.997 -6.845 422 HB3 ASP 54 HB1 ASP 54 12.176 -6.255 -7.146 423 H PHE 55 HN PHE 55 9.710 -2.879 -5.605 424 HA PHE 55 HA PHE 55 10.046 -2.040 -8.413 425 HB2 PHE 55 HB2 PHE 55 7.744 -1.669 -8.818 426 HB3 PHE 55 HB1 PHE 55 7.778 -3.253 -8.069 427 HD1 PHE 55 HD1 PHE 55 7.837 -2.653 -5.176 428 HD2 PHE 55 HD2 PHE 55 5.690 -0.690 -8.303 429 HE1 PHE 55 HE1 PHE 55 6.117 -1.949 -3.572 430 HE2 PHE 55 HE2 PHE 55 3.986 0.013 -6.681 431 HZ PHE 55 HZ PHE 55 4.195 -0.620 -4.321 432 H SER 56 HN SER 56 8.849 0.304 -8.519 433 HA SER 56 HA SER 56 9.368 1.777 -6.012 434 HB2 SER 56 HB2 SER 56 11.024 2.253 -7.893 435 HB3 SER 56 HB1 SER 56 9.688 2.965 -8.800 436 HG SER 56 HG SER 56 10.296 3.766 -6.151 437 H VAL 57 HN VAL 57 7.683 2.823 -5.207 438 HA VAL 57 HA VAL 57 5.162 3.129 -6.643 439 HB VAL 57 HB VAL 57 5.695 4.304 -3.879 440 HG11 VAL 57 HG11 VAL 57 3.318 3.799 -3.483 441 HG12 VAL 57 HG12 VAL 57 3.203 3.033 -5.071 442 HG13 VAL 57 HG13 VAL 57 3.520 4.764 -4.950 443 HG21 VAL 57 HG21 VAL 57 6.603 2.010 -3.737 444 HG22 VAL 57 HG22 VAL 57 5.052 1.368 -4.285 445 HG23 VAL 57 HG23 VAL 57 5.161 2.214 -2.741 446 H ASP 58 HN ASP 58 4.764 4.981 -7.805 447 HA ASP 58 HA ASP 58 6.847 6.968 -8.057 448 HB2 ASP 58 HB2 ASP 58 5.724 6.083 -10.039 449 HB3 ASP 58 HB1 ASP 58 4.164 6.641 -9.447 450 H ASP 59 HN ASP 59 6.718 9.188 -7.648 451 HA ASP 59 HA ASP 59 5.519 10.047 -5.311 452 HB2 ASP 59 HB2 ASP 59 7.506 11.104 -6.222 453 HB3 ASP 59 HB1 ASP 59 6.628 11.637 -7.648 454 H ASP 60 HN ASP 60 4.305 10.485 -8.642 455 HA ASP 60 HA ASP 60 2.190 12.319 -7.991 456 HB2 ASP 60 HB2 ASP 60 2.738 10.624 -10.464 457 HB3 ASP 60 HB1 ASP 60 1.332 11.682 -10.344 458 H GLU 61 HN GLU 61 2.419 8.822 -8.105 459 HA GLU 61 HA GLU 61 -0.500 8.462 -8.010 460 HB2 GLU 61 HB2 GLU 61 -0.133 6.096 -8.181 461 HB3 GLU 61 HB1 GLU 61 0.931 6.874 -9.345 462 HG2 GLU 61 HG2 GLU 61 2.805 6.636 -7.726 463 HG3 GLU 61 HG1 GLU 61 1.720 5.767 -6.648 464 H ILE 62 HN ILE 62 2.254 8.552 -5.878 465 HA ILE 62 HA ILE 62 0.988 7.478 -3.547 466 HB ILE 62 HB ILE 62 3.400 9.339 -3.848 467 HG12 ILE 62 HG12 ILE 62 3.277 6.362 -3.154 468 HG13 ILE 62 HG11 ILE 62 3.786 7.030 -4.698 469 HG21 ILE 62 HG21 ILE 62 2.410 7.992 -1.316 470 HG22 ILE 62 HG22 ILE 62 2.381 9.721 -1.657 471 HG23 ILE 62 HG23 ILE 62 3.923 8.889 -1.477 472 HD11 ILE 62 HD11 ILE 62 5.198 7.390 -2.053 473 HD12 ILE 62 HD12 ILE 62 5.711 8.085 -3.597 474 HD13 ILE 62 HD13 ILE 62 5.689 6.334 -3.381 475 H SER 63 HN SER 63 -0.875 8.427 -2.917 476 HA SER 63 HA SER 63 -0.738 11.217 -1.987 477 HB2 SER 63 HB2 SER 63 -2.066 11.242 -4.091 478 HB3 SER 63 HB1 SER 63 -3.098 9.953 -3.471 479 HG SER 63 HG SER 63 -3.275 12.607 -3.087 480 H ALA 64 HN ALA 64 -2.647 11.568 -0.388 481 HA ALA 64 HA ALA 64 -2.780 9.603 1.648 482 HB1 ALA 64 HB1 ALA 64 -3.230 11.988 2.084 483 HB2 ALA 64 HB2 ALA 64 -4.573 10.978 2.617 484 HB3 ALA 64 HB3 ALA 64 -4.701 11.897 1.116 485 H GLN 65 HN GLN 65 -4.671 10.231 -1.230 486 HA GLN 65 HA GLN 65 -6.873 8.505 -0.806 487 HB2 GLN 65 HB2 GLN 65 -5.602 9.306 -3.454 488 HB3 GLN 65 HB1 GLN 65 -7.211 8.626 -3.246 489 HG2 GLN 65 HG2 GLN 65 -6.240 11.344 -2.333 490 HG3 GLN 65 HG1 GLN 65 -7.412 10.995 -3.603 491 HE21 GLN 65 HE21 GLN 65 -6.884 11.188 -0.167 492 HE22 GLN 65 HE22 GLN 65 -8.541 11.099 0.304 493 H THR 66 HN THR 66 -3.572 7.807 -1.623 494 HA THR 66 HA THR 66 -4.044 5.128 -2.619 495 HB THR 66 HB THR 66 -1.433 6.410 -1.698 496 HG1 THR 66 HG1 THR 66 -1.934 6.256 -4.398 497 HG21 THR 66 HG21 THR 66 -1.273 3.948 -1.972 498 HG22 THR 66 HG22 THR 66 -0.350 4.783 -3.221 499 HG23 THR 66 HG23 THR 66 -1.923 4.084 -3.607 500 H PHE 67 HN PHE 67 -3.071 6.708 0.435 501 HA PHE 67 HA PHE 67 -2.686 4.089 1.757 502 HB2 PHE 67 HB2 PHE 67 -1.745 6.883 2.488 503 HB3 PHE 67 HB1 PHE 67 -1.575 5.505 3.572 504 HD1 PHE 67 HD2 PHE 67 -0.566 6.809 0.206 505 HD2 PHE 67 HD1 PHE 67 0.246 3.970 3.317 506 HE1 PHE 67 HE2 PHE 67 1.537 6.183 -0.902 507 HE2 PHE 67 HE1 PHE 67 2.344 3.365 2.191 508 HZ PHE 67 HZ PHE 67 2.988 4.458 0.088 509 H GLU 68 HN GLU 68 -5.228 5.996 1.308 510 HA GLU 68 HA GLU 68 -6.270 6.555 3.863 511 HB2 GLU 68 HB2 GLU 68 -8.494 6.708 2.753 512 HB3 GLU 68 HB1 GLU 68 -7.236 7.601 1.907 513 HG2 GLU 68 HG2 GLU 68 -7.101 5.948 0.172 514 HG3 GLU 68 HG1 GLU 68 -8.124 4.833 1.070 515 H THR 69 HN THR 69 -6.581 3.645 1.841 516 HA THR 69 HA THR 69 -7.252 2.035 4.192 517 HB THR 69 HB THR 69 -9.473 2.651 3.391 518 HG1 THR 69 HG1 THR 69 -9.379 0.527 4.057 519 HG21 THR 69 HG21 THR 69 -8.646 1.592 0.667 520 HG22 THR 69 HG22 THR 69 -8.987 3.275 1.071 521 HG23 THR 69 HG23 THR 69 -10.281 2.080 1.120 522 H LEU 70 HN LEU 70 -6.960 -0.263 3.820 523 HA LEU 70 HA LEU 70 -4.569 -0.929 2.546 524 HB2 LEU 70 HB2 LEU 70 -5.551 -2.192 4.444 525 HB3 LEU 70 HB1 LEU 70 -6.834 -2.781 3.397 526 HG LEU 70 HG LEU 70 -5.057 -3.954 2.002 527 HD11 LEU 70 HD11 LEU 70 -2.838 -4.309 2.944 528 HD12 LEU 70 HD12 LEU 70 -3.210 -3.220 4.284 529 HD13 LEU 70 HD13 LEU 70 -3.131 -2.600 2.632 530 HD21 LEU 70 HD21 LEU 70 -5.273 -4.800 4.910 531 HD22 LEU 70 HD22 LEU 70 -4.702 -5.822 3.586 532 HD23 LEU 70 HD23 LEU 70 -6.363 -5.240 3.596 533 H GLY 71 HN GLY 71 -7.872 -1.114 1.419 534 HA2 GLY 71 HA2 GLY 71 -7.603 -2.727 -0.865 535 HA3 GLY 71 HA1 GLY 71 -8.840 -1.508 -0.608 536 H SER 72 HN SER 72 -7.294 0.790 -0.454 537 HA SER 72 HA SER 72 -6.893 1.467 -3.152 538 HB2 SER 72 HB2 SER 72 -5.932 2.904 -0.651 539 HB3 SER 72 HB1 SER 72 -6.014 3.607 -2.272 540 HG SER 72 HG SER 72 -8.265 3.305 -2.219 541 H LEU 73 HN LEU 73 -4.493 0.677 -0.557 542 HA LEU 73 HA LEU 73 -2.143 1.038 -2.071 543 HB2 LEU 73 HB2 LEU 73 -2.727 -0.858 0.235 544 HB3 LEU 73 HB1 LEU 73 -1.148 -0.785 -0.526 545 HG LEU 73 HG LEU 73 -0.969 0.487 1.447 546 HD11 LEU 73 HD11 LEU 73 -0.438 2.741 0.690 547 HD12 LEU 73 HD12 LEU 73 -1.339 2.479 -0.802 548 HD13 LEU 73 HD13 LEU 73 0.114 1.533 -0.467 549 HD21 LEU 73 HD21 LEU 73 -2.484 2.296 2.096 550 HD22 LEU 73 HD22 LEU 73 -3.325 0.754 1.964 551 HD23 LEU 73 HD23 LEU 73 -3.497 1.960 0.688 552 H ALA 74 HN ALA 74 -4.184 -1.841 -1.590 553 HA ALA 74 HA ALA 74 -2.739 -3.742 -2.995 554 HB1 ALA 74 HB1 ALA 74 -4.825 -5.013 -3.213 555 HB2 ALA 74 HB2 ALA 74 -5.764 -3.568 -2.804 556 HB3 ALA 74 HB3 ALA 74 -4.697 -4.291 -1.602 557 H LEU 75 HN LEU 75 -5.276 -1.537 -4.193 558 HA LEU 75 HA LEU 75 -5.369 -2.548 -6.845 559 HB2 LEU 75 HB2 LEU 75 -6.530 -0.175 -5.421 560 HB3 LEU 75 HB1 LEU 75 -6.467 -0.083 -7.167 561 HG LEU 75 HG LEU 75 -8.671 -0.868 -6.386 562 HD11 LEU 75 HD11 LEU 75 -7.885 -1.589 -8.585 563 HD12 LEU 75 HD12 LEU 75 -8.903 -2.815 -7.837 564 HD13 LEU 75 HD13 LEU 75 -7.152 -3.030 -7.869 565 HD21 LEU 75 HD21 LEU 75 -7.201 -3.250 -5.226 566 HD22 LEU 75 HD22 LEU 75 -8.955 -3.091 -5.360 567 HD23 LEU 75 HD23 LEU 75 -8.047 -1.992 -4.324 568 H PHE 76 HN PHE 76 -3.663 0.316 -5.492 569 HA PHE 76 HA PHE 76 -2.575 1.253 -7.931 570 HB2 PHE 76 HB2 PHE 76 -1.824 1.641 -5.031 571 HB3 PHE 76 HB1 PHE 76 -0.700 2.193 -6.266 572 HD1 PHE 76 HD2 PHE 76 -4.170 2.660 -4.944 573 HD2 PHE 76 HD1 PHE 76 -1.115 4.221 -7.495 574 HE1 PHE 76 HE2 PHE 76 -5.429 4.752 -5.171 575 HE2 PHE 76 HE1 PHE 76 -2.379 6.310 -7.714 576 HZ PHE 76 HZ PHE 76 -4.541 6.589 -6.559 577 H VAL 77 HN VAL 77 -1.172 -0.993 -5.499 578 HA VAL 77 HA VAL 77 1.237 -1.414 -7.006 579 HB VAL 77 HB VAL 77 1.901 -3.060 -5.364 580 HG11 VAL 77 HG11 VAL 77 1.807 -1.691 -3.296 581 HG12 VAL 77 HG12 VAL 77 0.548 -0.689 -4.019 582 HG13 VAL 77 HG13 VAL 77 2.168 -0.707 -4.718 583 HG21 VAL 77 HG21 VAL 77 -0.901 -2.893 -4.207 584 HG22 VAL 77 HG22 VAL 77 0.458 -3.780 -3.508 585 HG23 VAL 77 HG23 VAL 77 -0.206 -4.271 -5.064 586 H GLU 78 HN GLU 78 -1.938 -2.954 -7.045 587 HA GLU 78 HA GLU 78 -1.381 -5.293 -8.509 588 HB2 GLU 78 HB2 GLU 78 -3.774 -3.418 -8.792 589 HB3 GLU 78 HB1 GLU 78 -3.662 -4.972 -9.601 590 HG2 GLU 78 HG2 GLU 78 -3.793 -4.540 -6.619 591 HG3 GLU 78 HG1 GLU 78 -5.126 -5.022 -7.643 592 H HIS 79 HN HIS 79 -2.035 -1.945 -9.577 593 HA HIS 79 HA HIS 79 -1.777 -2.272 -12.364 594 HB2 HIS 79 HB2 HIS 79 -1.087 0.183 -10.687 595 HB3 HIS 79 HB1 HIS 79 -1.306 0.184 -12.433 596 HD1 HIS 79 HD1 HIS 79 -2.994 2.119 -11.180 597 HD2 HIS 79 HD2 HIS 79 -4.188 -1.853 -11.289 598 HE1 HIS 79 HE1 HIS 79 -5.477 2.155 -10.911 599 HE2 HIS 79 HE2 HIS 79 -6.147 -0.262 -10.779 600 H LYS 80 HN LYS 80 0.623 -1.417 -9.908 601 HA LYS 80 HA LYS 80 2.765 -0.746 -11.608 602 HB2 LYS 80 HB2 LYS 80 2.840 -1.731 -8.731 603 HB3 LYS 80 HB1 LYS 80 4.161 -0.903 -9.552 604 HG2 LYS 80 HG2 LYS 80 1.440 0.258 -8.920 605 HG3 LYS 80 HG1 LYS 80 2.952 0.628 -8.091 606 HD2 LYS 80 HD2 LYS 80 2.447 1.148 -11.039 607 HD3 LYS 80 HD1 LYS 80 2.233 2.349 -9.768 608 HE2 LYS 80 HE2 LYS 80 4.674 2.019 -9.167 609 HE3 LYS 80 HE1 LYS 80 4.830 1.015 -10.613 610 HZ1 LYS 80 HZ1 LYS 80 5.497 3.320 -11.000 611 HZ2 LYS 80 HZ2 LYS 80 3.945 3.850 -10.590 612 HZ3 LYS 80 HZ3 LYS 80 4.176 2.883 -11.956 613 H LEU 81 HN LEU 81 2.280 -3.741 -9.740 614 HA LEU 81 HA LEU 81 4.609 -5.014 -10.830 615 HB2 LEU 81 HB2 LEU 81 2.374 -6.025 -9.048 616 HB3 LEU 81 HB1 LEU 81 3.628 -7.094 -9.645 617 HG LEU 81 HG LEU 81 4.211 -6.466 -7.389 618 HD11 LEU 81 HD11 LEU 81 5.997 -4.925 -9.291 619 HD12 LEU 81 HD12 LEU 81 6.107 -6.647 -8.908 620 HD13 LEU 81 HD13 LEU 81 6.418 -5.447 -7.656 621 HD21 LEU 81 HD21 LEU 81 2.884 -4.429 -7.144 622 HD22 LEU 81 HD22 LEU 81 3.998 -3.550 -8.194 623 HD23 LEU 81 HD23 LEU 81 4.547 -4.159 -6.629 624 H SER 82 HN SER 82 1.426 -4.635 -12.023 625 HA SER 82 HA SER 82 1.628 -6.849 -13.921 626 HB2 SER 82 HB2 SER 82 -0.425 -4.620 -13.658 627 HB3 SER 82 HB1 SER 82 -0.543 -5.982 -14.779 628 HG SER 82 HG SER 82 -0.250 -6.353 -11.983 629 H HIS 83 HN HIS 83 2.361 -3.414 -13.787 630 HA HIS 83 HA HIS 83 2.997 -3.367 -16.693 631 HB2 HIS 83 HB2 HIS 83 2.147 -1.090 -14.843 632 HB3 HIS 83 HB1 HIS 83 2.820 -0.819 -16.448 633 HD1 HIS 83 HD1 HIS 83 1.395 -1.729 -18.489 634 HD2 HIS 83 HD2 HIS 83 -0.566 -1.719 -14.831 635 HE1 HIS 83 HE1 HIS 83 -1.034 -1.962 -19.030 636 HE2 HIS 83 HE2 HIS 83 -2.171 -2.172 -16.797 637 H282 PNS 84 H282 PNS 84 8.621 14.674 6.212 638 H281 PNS 84 H281 PNS 84 7.922 13.232 6.945 639 H303 PNS 84 H303 PNS 84 5.540 12.464 4.118 640 H302 PNS 84 H302 PNS 84 6.067 11.944 5.721 641 H301 PNS 84 H301 PNS 84 5.110 13.417 5.541 642 H313 PNS 84 H313 PNS 84 7.918 12.279 3.395 643 H312 PNS 84 H312 PNS 84 9.160 13.348 4.048 644 H311 PNS 84 H311 PNS 84 8.585 11.977 5.005 645 H32 PNS 84 H32 PNS 84 6.415 15.668 4.613 646 H33 PNS 84 H33 PNS 84 8.239 15.430 2.637 647 H36 PNS 84 H36 PNS 84 7.380 13.260 2.042 648 H372 PNS 84 H372 PNS 84 5.681 14.195 0.030 649 H371 PNS 84 H371 PNS 84 6.384 12.580 0.112 650 H382 PNS 84 H382 PNS 84 3.993 13.142 1.839 651 H381 PNS 84 H381 PNS 84 3.723 12.991 0.109 652 H41 PNS 84 H41 PNS 84 2.365 11.345 1.506 653 H422 PNS 84 H422 PNS 84 2.792 8.806 0.600 654 H421 PNS 84 H421 PNS 84 3.575 8.832 2.175 655 H431 PNS 84 H431 PNS 84 1.533 9.325 3.281 656 H432 PNS 84 H432 PNS 84 1.183 8.024 2.135 657 H44 PNS 84 H44 PNS 84 0.709 11.164 1.016 Start of MODEL 12 1 H MET 1 HT1 MET 1 -8.807 -9.120 -5.621 2 HA MET 1 HA MET 1 -6.808 -7.930 -6.024 3 HB2 MET 1 HB2 MET 1 -7.173 -6.968 -3.156 4 HB3 MET 1 HB1 MET 1 -5.631 -6.855 -4.006 5 HG2 MET 1 HG2 MET 1 -6.808 -4.739 -4.109 6 HG3 MET 1 HG1 MET 1 -6.672 -5.451 -5.715 7 HE1 MET 1 HE1 MET 1 -9.067 -4.465 -2.766 8 HE2 MET 1 HE2 MET 1 -9.201 -6.224 -2.727 9 HE3 MET 1 HE3 MET 1 -10.577 -5.248 -3.233 10 H GLN 2 HN GLN 2 -4.877 -8.978 -5.760 11 HA GLN 2 HA GLN 2 -4.874 -11.506 -4.282 12 HB2 GLN 2 HB2 GLN 2 -2.630 -10.460 -6.055 13 HB3 GLN 2 HB1 GLN 2 -3.046 -12.133 -5.700 14 HG2 GLN 2 HG2 GLN 2 -4.701 -10.251 -7.400 15 HG3 GLN 2 HG1 GLN 2 -3.538 -11.413 -8.028 16 HE21 GLN 2 HE21 GLN 2 -6.677 -11.013 -6.559 17 HE22 GLN 2 HE22 GLN 2 -7.252 -12.613 -6.861 18 H HIS 3 HN HIS 3 -3.226 -8.438 -4.578 19 HA HIS 3 HA HIS 3 -0.962 -9.233 -3.052 20 HB2 HIS 3 HB2 HIS 3 -1.655 -6.613 -4.386 21 HB3 HIS 3 HB1 HIS 3 -0.146 -6.887 -3.518 22 HD1 HIS 3 HD1 HIS 3 1.124 -9.225 -4.524 23 HD2 HIS 3 HD2 HIS 3 -1.279 -6.975 -7.040 24 HE1 HIS 3 HE1 HIS 3 1.853 -9.806 -6.848 25 HE2 HIS 3 HE2 HIS 3 0.248 -8.577 -8.348 26 H LEU 4 HN LEU 4 -3.964 -7.890 -2.130 27 HA LEU 4 HA LEU 4 -3.355 -6.029 -0.164 28 HB2 LEU 4 HB2 LEU 4 -5.492 -6.328 0.771 29 HB3 LEU 4 HB1 LEU 4 -5.696 -6.746 -0.918 30 HG LEU 4 HG LEU 4 -5.422 -8.794 1.323 31 HD11 LEU 4 HD11 LEU 4 -7.960 -7.847 -0.030 32 HD12 LEU 4 HD12 LEU 4 -7.470 -7.506 1.632 33 HD13 LEU 4 HD13 LEU 4 -7.829 -9.161 1.146 34 HD21 LEU 4 HD21 LEU 4 -6.266 -9.182 -1.569 35 HD22 LEU 4 HD22 LEU 4 -6.251 -10.425 -0.314 36 HD23 LEU 4 HD23 LEU 4 -4.737 -9.697 -0.843 37 H GLU 5 HN GLU 5 -2.970 -9.502 -0.031 38 HA GLU 5 HA GLU 5 -2.719 -9.913 2.761 39 HB2 GLU 5 HB2 GLU 5 -3.111 -11.769 1.189 40 HB3 GLU 5 HB1 GLU 5 -1.574 -11.464 0.396 41 HG2 GLU 5 HG2 GLU 5 -1.322 -13.409 1.777 42 HG3 GLU 5 HG1 GLU 5 -0.393 -12.103 2.508 43 H ALA 6 HN ALA 6 -0.281 -9.475 0.196 44 HA ALA 6 HA ALA 6 1.985 -9.560 1.927 45 HB1 ALA 6 HB1 ALA 6 1.804 -8.495 -0.908 46 HB2 ALA 6 HB2 ALA 6 2.125 -10.170 -0.450 47 HB3 ALA 6 HB3 ALA 6 3.282 -8.907 -0.029 48 H VAL 7 HN VAL 7 0.003 -6.933 0.636 49 HA VAL 7 HA VAL 7 1.657 -4.762 1.369 50 HB VAL 7 HB VAL 7 -1.390 -4.817 1.041 51 HG11 VAL 7 HG11 VAL 7 -0.673 -2.877 2.388 52 HG12 VAL 7 HG12 VAL 7 -1.244 -2.360 0.810 53 HG13 VAL 7 HG13 VAL 7 0.489 -2.413 1.137 54 HG21 VAL 7 HG21 VAL 7 -0.250 -5.411 -1.055 55 HG22 VAL 7 HG22 VAL 7 0.777 -3.979 -0.937 56 HG23 VAL 7 HG23 VAL 7 -0.966 -3.803 -1.190 57 H ARG 8 HN ARG 8 -1.086 -6.365 3.069 58 HA ARG 8 HA ARG 8 -1.019 -4.649 5.375 59 HB2 ARG 8 HB2 ARG 8 -2.641 -6.133 6.399 60 HB3 ARG 8 HB1 ARG 8 -3.069 -5.898 4.708 61 HG2 ARG 8 HG2 ARG 8 -2.012 -8.126 4.197 62 HG3 ARG 8 HG1 ARG 8 -1.784 -8.360 5.933 63 HD2 ARG 8 HD2 ARG 8 -4.242 -8.146 6.244 64 HD3 ARG 8 HD1 ARG 8 -4.432 -8.006 4.491 65 HE ARG 8 HE ARG 8 -3.077 -10.340 4.768 66 HH11 ARG 8 HH11 ARG 8 -6.017 -9.154 6.265 67 HH12 ARG 8 HH12 ARG 8 -6.704 -10.732 6.437 68 HH21 ARG 8 HH21 ARG 8 -4.035 -12.404 5.023 69 HH22 ARG 8 HH22 ARG 8 -5.612 -12.540 5.731 70 H ASN 9 HN ASN 9 0.616 -7.594 4.441 71 HA ASN 9 HA ASN 9 1.618 -8.443 6.936 72 HB2 ASN 9 HB2 ASN 9 1.681 -9.894 4.976 73 HB3 ASN 9 HB1 ASN 9 2.677 -8.746 4.094 74 HD21 ASN 9 HD21 ASN 9 4.305 -10.160 3.689 75 HD22 ASN 9 HD22 ASN 9 5.346 -10.814 4.895 76 H ILE 10 HN ILE 10 2.971 -6.344 4.403 77 HA ILE 10 HA ILE 10 5.384 -5.563 5.582 78 HB ILE 10 HB ILE 10 3.547 -4.006 3.703 79 HG12 ILE 10 HG12 ILE 10 6.024 -5.658 3.046 80 HG13 ILE 10 HG11 ILE 10 4.368 -6.197 2.816 81 HG21 ILE 10 HG21 ILE 10 6.460 -3.455 4.357 82 HG22 ILE 10 HG22 ILE 10 5.081 -2.439 4.775 83 HG23 ILE 10 HG23 ILE 10 5.533 -2.649 3.085 84 HD11 ILE 10 HD11 ILE 10 4.012 -4.381 1.204 85 HD12 ILE 10 HD12 ILE 10 5.315 -5.470 0.737 86 HD13 ILE 10 HD13 ILE 10 5.696 -3.889 1.413 87 H LEU 11 HN LEU 11 2.241 -3.891 5.563 88 HA LEU 11 HA LEU 11 2.946 -1.597 6.985 89 HB2 LEU 11 HB2 LEU 11 0.238 -2.957 6.788 90 HB3 LEU 11 HB1 LEU 11 0.491 -1.297 7.312 91 HG LEU 11 HG LEU 11 1.240 -2.308 4.544 92 HD11 LEU 11 HD11 LEU 11 -1.295 -0.915 5.403 93 HD12 LEU 11 HD12 LEU 11 -1.140 -2.559 4.780 94 HD13 LEU 11 HD13 LEU 11 -0.801 -1.186 3.730 95 HD21 LEU 11 HD21 LEU 11 2.482 -0.301 5.217 96 HD22 LEU 11 HD22 LEU 11 0.973 0.531 5.592 97 HD23 LEU 11 HD23 LEU 11 1.340 0.068 3.932 98 H GLY 12 HN GLY 12 1.532 -4.655 8.134 99 HA2 GLY 12 HA2 GLY 12 1.345 -3.830 10.878 100 HA3 GLY 12 HA1 GLY 12 1.143 -5.448 10.240 101 H ASP 13 HN ASP 13 3.900 -5.222 8.912 102 HA ASP 13 HA ASP 13 5.509 -6.127 11.120 103 HB2 ASP 13 HB2 ASP 13 5.710 -6.986 8.747 104 HB3 ASP 13 HB1 ASP 13 6.354 -5.424 8.270 105 H VAL 14 HN VAL 14 5.206 -3.132 9.243 106 HA VAL 14 HA VAL 14 7.512 -1.803 10.362 107 HB VAL 14 HB VAL 14 5.159 -0.645 8.779 108 HG11 VAL 14 HG11 VAL 14 6.255 1.142 10.052 109 HG12 VAL 14 HG12 VAL 14 6.637 1.319 8.339 110 HG13 VAL 14 HG13 VAL 14 7.836 0.648 9.448 111 HG21 VAL 14 HG21 VAL 14 6.437 -2.307 7.479 112 HG22 VAL 14 HG22 VAL 14 7.935 -1.443 7.813 113 HG23 VAL 14 HG23 VAL 14 6.683 -0.686 6.828 114 H LEU 15 HN LEU 15 3.984 -1.315 10.705 115 HA LEU 15 HA LEU 15 4.292 0.545 12.909 116 HB2 LEU 15 HB2 LEU 15 1.771 -0.566 11.624 117 HB3 LEU 15 HB1 LEU 15 1.783 0.632 12.895 118 HG LEU 15 HG LEU 15 1.459 2.030 11.110 119 HD11 LEU 15 HD11 LEU 15 4.470 1.849 10.995 120 HD12 LEU 15 HD12 LEU 15 3.518 2.794 12.142 121 HD13 LEU 15 HD13 LEU 15 3.471 3.191 10.428 122 HD21 LEU 15 HD21 LEU 15 2.228 1.723 8.818 123 HD22 LEU 15 HD22 LEU 15 1.370 0.298 9.399 124 HD23 LEU 15 HD23 LEU 15 3.131 0.279 9.298 125 H ASN 16 HN ASN 16 4.371 -2.774 12.793 126 HA ASN 16 HA ASN 16 4.716 -4.274 14.433 127 HB2 ASN 16 HB2 ASN 16 5.713 -2.180 15.602 128 HB3 ASN 16 HB1 ASN 16 4.230 -2.129 16.540 129 HD21 ASN 16 HD21 ASN 16 7.210 -3.854 15.962 130 HD22 ASN 16 HD22 ASN 16 7.153 -4.844 17.376 131 H LEU 17 HN LEU 17 2.111 -3.912 13.311 132 HA LEU 17 HA LEU 17 0.013 -4.213 15.216 133 HB2 LEU 17 HB2 LEU 17 0.240 -4.800 12.261 134 HB3 LEU 17 HB1 LEU 17 -1.183 -5.321 13.133 135 HG LEU 17 HG LEU 17 -1.861 -3.063 13.595 136 HD11 LEU 17 HD11 LEU 17 0.759 -2.104 12.430 137 HD12 LEU 17 HD12 LEU 17 0.252 -2.016 14.119 138 HD13 LEU 17 HD13 LEU 17 -0.598 -1.072 12.901 139 HD21 LEU 17 HD21 LEU 17 -2.438 -3.886 11.354 140 HD22 LEU 17 HD22 LEU 17 -0.938 -3.223 10.703 141 HD23 LEU 17 HD23 LEU 17 -2.184 -2.141 11.331 142 H GLY 18 HN GLY 18 2.219 -6.510 13.678 143 HA2 GLY 18 HA2 GLY 18 2.727 -8.691 14.166 144 HA3 GLY 18 HA1 GLY 18 1.725 -8.561 15.603 145 H GLU 19 HN GLU 19 -0.416 -9.266 15.523 146 HA GLU 19 HA GLU 19 -1.129 -11.072 13.301 147 HB2 GLU 19 HB2 GLU 19 -1.101 -11.955 15.647 148 HB3 GLU 19 HB1 GLU 19 -2.337 -10.788 16.096 149 HG2 GLU 19 HG2 GLU 19 -3.860 -11.884 14.396 150 HG3 GLU 19 HG1 GLU 19 -2.631 -13.131 14.187 151 H ARG 20 HN ARG 20 -2.011 -8.055 14.771 152 HA ARG 20 HA ARG 20 -4.754 -7.901 14.132 153 HB2 ARG 20 HB2 ARG 20 -3.655 -6.467 15.808 154 HB3 ARG 20 HB1 ARG 20 -2.747 -5.652 14.550 155 HG2 ARG 20 HG2 ARG 20 -5.755 -5.571 14.412 156 HG3 ARG 20 HG1 ARG 20 -4.953 -4.583 15.628 157 HD2 ARG 20 HD2 ARG 20 -3.710 -3.389 13.897 158 HD3 ARG 20 HD1 ARG 20 -4.349 -4.466 12.654 159 HE ARG 20 HE ARG 20 -6.445 -3.439 12.811 160 HH11 ARG 20 HH11 ARG 20 -4.176 -1.853 14.984 161 HH12 ARG 20 HH12 ARG 20 -5.156 -0.432 15.133 162 HH21 ARG 20 HH21 ARG 20 -7.657 -1.546 12.987 163 HH22 ARG 20 HH22 ARG 20 -7.107 -0.254 14.002 164 H LYS 21 HN LYS 21 -1.911 -7.322 12.214 165 HA LYS 21 HA LYS 21 -3.038 -5.887 10.060 166 HB2 LYS 21 HB2 LYS 21 -1.043 -6.453 8.824 167 HB3 LYS 21 HB1 LYS 21 -0.621 -6.009 10.476 168 HG2 LYS 21 HG2 LYS 21 -0.407 -8.386 11.061 169 HG3 LYS 21 HG1 LYS 21 -0.827 -8.839 9.405 170 HD2 LYS 21 HD2 LYS 21 1.187 -7.521 8.635 171 HD3 LYS 21 HD1 LYS 21 1.624 -7.309 10.335 172 HE2 LYS 21 HE2 LYS 21 1.706 -9.770 10.578 173 HE3 LYS 21 HE1 LYS 21 1.351 -9.921 8.857 174 HZ1 LYS 21 HZ1 LYS 21 3.729 -10.104 9.314 175 HZ2 LYS 21 HZ2 LYS 21 3.738 -8.562 9.997 176 HZ3 LYS 21 HZ3 LYS 21 3.403 -8.755 8.351 177 H HIS 22 HN HIS 22 -3.171 -9.249 10.885 178 HA HIS 22 HA HIS 22 -3.914 -10.089 8.169 179 HB2 HIS 22 HB2 HIS 22 -2.151 -11.327 9.514 180 HB3 HIS 22 HB1 HIS 22 -3.421 -11.829 10.618 181 HD1 HIS 22 HD1 HIS 22 -2.027 -12.470 7.207 182 HD2 HIS 22 HD2 HIS 22 -5.121 -13.859 9.603 183 HE1 HIS 22 HE1 HIS 22 -2.792 -14.611 6.148 184 HE2 HIS 22 HE2 HIS 22 -4.525 -15.522 7.722 185 H THR 23 HN THR 23 -5.346 -9.403 11.269 186 HA THR 23 HA THR 23 -7.814 -10.888 10.723 187 HB THR 23 HB THR 23 -6.890 -10.749 13.067 188 HG1 THR 23 HG1 THR 23 -9.505 -9.632 12.778 189 HG21 THR 23 HG21 THR 23 -7.891 -7.881 12.998 190 HG22 THR 23 HG22 THR 23 -6.200 -8.369 13.079 191 HG23 THR 23 HG23 THR 23 -7.286 -8.740 14.417 192 H LEU 24 HN LEU 24 -6.649 -8.114 9.481 193 HA LEU 24 HA LEU 24 -9.327 -6.880 9.169 194 HB2 LEU 24 HB2 LEU 24 -8.112 -4.856 8.336 195 HB3 LEU 24 HB1 LEU 24 -7.802 -5.246 10.002 196 HG LEU 24 HG LEU 24 -5.591 -6.354 9.093 197 HD11 LEU 24 HD11 LEU 24 -4.637 -5.277 7.110 198 HD12 LEU 24 HD12 LEU 24 -6.177 -4.468 6.800 199 HD13 LEU 24 HD13 LEU 24 -6.066 -6.229 6.715 200 HD21 LEU 24 HD21 LEU 24 -5.876 -3.334 9.194 201 HD22 LEU 24 HD22 LEU 24 -4.364 -4.236 9.326 202 HD23 LEU 24 HD23 LEU 24 -5.598 -4.405 10.571 203 H THR 25 HN THR 25 -9.592 -5.898 6.878 204 HA THR 25 HA THR 25 -8.613 -7.757 4.790 205 HB THR 25 HB THR 25 -10.928 -7.571 3.725 206 HG1 THR 25 HG1 THR 25 -11.641 -6.573 6.298 207 HG21 THR 25 HG21 THR 25 -12.031 -9.244 5.152 208 HG22 THR 25 HG22 THR 25 -10.910 -8.887 6.466 209 HG23 THR 25 HG23 THR 25 -10.316 -9.624 4.976 210 H ALA 26 HN ALA 26 -9.696 -6.609 2.559 211 HA ALA 26 HA ALA 26 -8.006 -4.425 2.053 212 HB1 ALA 26 HB1 ALA 26 -10.443 -5.298 0.464 213 HB2 ALA 26 HB2 ALA 26 -8.807 -5.928 0.274 214 HB3 ALA 26 HB3 ALA 26 -9.149 -4.243 -0.117 215 H SER 27 HN SER 27 -11.362 -4.505 3.155 216 HA SER 27 HA SER 27 -11.973 -1.746 2.627 217 HB2 SER 27 HB2 SER 27 -13.362 -3.773 4.421 218 HB3 SER 27 HB1 SER 27 -14.005 -2.184 4.026 219 HG SER 27 HG SER 27 -13.701 -2.933 1.747 220 H SER 28 HN SER 28 -9.918 -3.056 4.928 221 HA SER 28 HA SER 28 -10.464 -1.414 7.201 222 HB2 SER 28 HB2 SER 28 -9.181 -3.478 7.467 223 HB3 SER 28 HB1 SER 28 -7.928 -2.892 6.376 224 HG SER 28 HG SER 28 -7.354 -1.351 7.900 225 H VAL 29 HN VAL 29 -9.955 0.643 7.511 226 HA VAL 29 HA VAL 29 -8.439 2.285 5.722 227 HB VAL 29 HB VAL 29 -9.486 2.875 8.543 228 HG11 VAL 29 HG11 VAL 29 -7.766 4.507 7.871 229 HG12 VAL 29 HG12 VAL 29 -9.357 5.262 7.951 230 HG13 VAL 29 HG13 VAL 29 -8.656 4.853 6.384 231 HG21 VAL 29 HG21 VAL 29 -11.323 2.225 7.056 232 HG22 VAL 29 HG22 VAL 29 -10.816 3.429 5.865 233 HG23 VAL 29 HG23 VAL 29 -11.423 3.942 7.445 234 H LEU 30 HN LEU 30 -6.427 3.357 6.335 235 HA LEU 30 HA LEU 30 -4.773 2.009 8.393 236 HB2 LEU 30 HB2 LEU 30 -3.718 3.162 5.786 237 HB3 LEU 30 HB1 LEU 30 -2.839 2.183 6.953 238 HG LEU 30 HG LEU 30 -5.110 1.184 5.197 239 HD11 LEU 30 HD11 LEU 30 -3.352 0.015 3.938 240 HD12 LEU 30 HD12 LEU 30 -2.122 0.831 4.906 241 HD13 LEU 30 HD13 LEU 30 -3.191 1.768 3.861 242 HD21 LEU 30 HD21 LEU 30 -4.959 -0.097 7.293 243 HD22 LEU 30 HD22 LEU 30 -3.245 -0.408 7.001 244 HD23 LEU 30 HD23 LEU 30 -4.465 -1.072 5.911 245 H LEU 31 HN LEU 31 -4.415 4.791 6.205 246 HA LEU 31 HA LEU 31 -3.448 6.643 8.080 247 HB2 LEU 31 HB2 LEU 31 -3.405 6.621 5.470 248 HB3 LEU 31 HB1 LEU 31 -5.007 7.323 5.544 249 HG LEU 31 HG LEU 31 -2.528 8.623 6.724 250 HD11 LEU 31 HD11 LEU 31 -2.231 8.397 4.326 251 HD12 LEU 31 HD12 LEU 31 -2.474 10.083 4.770 252 HD13 LEU 31 HD13 LEU 31 -3.793 9.165 4.041 253 HD21 LEU 31 HD21 LEU 31 -5.266 9.803 6.140 254 HD22 LEU 31 HD22 LEU 31 -3.866 10.699 6.735 255 HD23 LEU 31 HD23 LEU 31 -4.606 9.458 7.742 256 H GLY 32 HN GLY 32 -4.584 7.288 9.825 257 HA2 GLY 32 HA2 GLY 32 -6.339 8.570 10.825 258 HA3 GLY 32 HA1 GLY 32 -7.470 7.933 9.636 259 H ASN 33 HN ASN 33 -6.474 5.166 9.930 260 HA ASN 33 HA ASN 33 -8.073 4.343 12.229 261 HB2 ASN 33 HB2 ASN 33 -8.248 3.184 10.032 262 HB3 ASN 33 HB1 ASN 33 -6.565 2.701 10.147 263 HD21 ASN 33 HD21 ASN 33 -8.662 0.934 9.719 264 HD22 ASN 33 HD22 ASN 33 -8.810 -0.120 11.075 265 H ILE 34 HN ILE 34 -4.806 3.490 11.060 266 HA ILE 34 HA ILE 34 -4.102 2.134 13.466 267 HB ILE 34 HB ILE 34 -2.208 2.974 11.227 268 HG12 ILE 34 HG12 ILE 34 -4.102 1.724 10.219 269 HG13 ILE 34 HG11 ILE 34 -2.635 0.761 10.153 270 HG21 ILE 34 HG21 ILE 34 -0.855 1.020 11.962 271 HG22 ILE 34 HG22 ILE 34 -1.999 0.740 13.279 272 HG23 ILE 34 HG23 ILE 34 -1.049 2.225 13.237 273 HD11 ILE 34 HD11 ILE 34 -4.914 0.404 12.108 274 HD12 ILE 34 HD12 ILE 34 -3.435 -0.567 12.071 275 HD13 ILE 34 HD13 ILE 34 -4.544 -0.595 10.705 276 HA PRO 35 HA PRO 35 -2.881 6.039 15.435 277 HB2 PRO 35 HB2 PRO 35 -2.236 5.095 17.906 278 HB3 PRO 35 HB1 PRO 35 -3.913 5.161 17.343 279 HG2 PRO 35 HG2 PRO 35 -2.021 2.811 17.387 280 HG3 PRO 35 HG1 PRO 35 -3.724 2.885 17.896 281 HD2 PRO 35 HD2 PRO 35 -2.942 1.916 15.451 282 HD3 PRO 35 HD1 PRO 35 -4.508 2.702 15.707 283 H GLU 36 HN GLU 36 -0.873 3.527 14.503 284 HA GLU 36 HA GLU 36 1.627 4.660 15.523 285 HB2 GLU 36 HB2 GLU 36 1.170 2.088 13.960 286 HB3 GLU 36 HB1 GLU 36 2.615 2.535 14.862 287 HG2 GLU 36 HG2 GLU 36 -0.109 1.825 15.995 288 HG3 GLU 36 HG1 GLU 36 1.368 0.871 16.094 289 H LEU 37 HN LEU 37 -0.360 4.887 12.806 290 HA LEU 37 HA LEU 37 1.673 5.007 10.739 291 HB2 LEU 37 HB2 LEU 37 -0.767 4.200 10.445 292 HB3 LEU 37 HB1 LEU 37 -1.244 5.879 10.509 293 HG LEU 37 HG LEU 37 -1.115 4.828 8.187 294 HD11 LEU 37 HD11 LEU 37 0.580 7.304 8.572 295 HD12 LEU 37 HD12 LEU 37 -1.177 7.247 8.416 296 HD13 LEU 37 HD13 LEU 37 -0.159 6.768 7.061 297 HD21 LEU 37 HD21 LEU 37 1.070 4.578 7.108 298 HD22 LEU 37 HD22 LEU 37 0.913 3.496 8.487 299 HD23 LEU 37 HD23 LEU 37 1.883 4.963 8.627 300 H ASP 38 HN ASP 38 3.026 6.530 11.684 301 HA ASP 38 HA ASP 38 2.219 9.289 12.133 302 HB2 ASP 38 HB2 ASP 38 3.664 8.176 13.784 303 HB3 ASP 38 HB1 ASP 38 4.799 7.693 12.532 304 H SER 39 HN SER 39 3.661 10.983 11.221 305 HA SER 39 HA SER 39 3.963 11.381 8.558 306 HB2 SER 39 HB2 SER 39 4.269 13.095 10.293 307 HB3 SER 39 HB1 SER 39 5.755 12.316 10.842 308 H MET 40 HN MET 40 6.802 10.472 10.586 309 HA MET 40 HA MET 40 8.403 9.776 8.323 310 HB2 MET 40 HB2 MET 40 8.823 9.271 11.284 311 HB3 MET 40 HB1 MET 40 9.982 8.781 10.048 312 HG2 MET 40 HG2 MET 40 9.103 11.607 10.674 313 HG3 MET 40 HG1 MET 40 10.676 10.886 11.015 314 HE1 MET 40 HE1 MET 40 10.994 9.175 8.178 315 HE2 MET 40 HE2 MET 40 12.343 10.023 8.935 316 HE3 MET 40 HE3 MET 40 11.951 10.323 7.245 317 H ALA 41 HN ALA 41 6.133 8.002 10.232 318 HA ALA 41 HA ALA 41 6.947 5.386 9.393 319 HB1 ALA 41 HB1 ALA 41 5.619 5.757 11.432 320 HB2 ALA 41 HB2 ALA 41 4.849 4.609 10.337 321 HB3 ALA 41 HB3 ALA 41 4.250 6.264 10.442 322 H VAL 42 HN VAL 42 4.877 7.896 7.875 323 HA VAL 42 HA VAL 42 3.802 6.167 5.872 324 HB VAL 42 HB VAL 42 3.076 7.991 4.587 325 HG11 VAL 42 HG11 VAL 42 2.036 9.615 6.097 326 HG12 VAL 42 HG12 VAL 42 3.114 9.106 7.396 327 HG13 VAL 42 HG13 VAL 42 1.934 7.970 6.741 328 HG21 VAL 42 HG21 VAL 42 5.211 9.807 5.774 329 HG22 VAL 42 HG22 VAL 42 3.942 10.336 4.676 330 HG23 VAL 42 HG23 VAL 42 5.153 9.180 4.133 331 H VAL 43 HN VAL 43 6.759 8.054 6.179 332 HA VAL 43 HA VAL 43 7.849 7.594 3.586 333 HB VAL 43 HB VAL 43 9.469 7.931 6.151 334 HG11 VAL 43 HG11 VAL 43 10.844 7.366 4.186 335 HG12 VAL 43 HG12 VAL 43 11.151 9.020 4.708 336 HG13 VAL 43 HG13 VAL 43 10.149 8.722 3.289 337 HG21 VAL 43 HG21 VAL 43 7.735 9.622 6.115 338 HG22 VAL 43 HG22 VAL 43 8.156 10.090 4.464 339 HG23 VAL 43 HG23 VAL 43 9.296 10.371 5.784 340 H ASN 44 HN ASN 44 8.180 5.877 6.633 341 HA ASN 44 HA ASN 44 9.960 3.857 5.879 342 HB2 ASN 44 HB2 ASN 44 7.984 4.231 8.112 343 HB3 ASN 44 HB1 ASN 44 8.759 2.652 7.936 344 HD21 ASN 44 HD21 ASN 44 9.829 2.880 9.912 345 HD22 ASN 44 HD22 ASN 44 11.176 3.941 10.115 346 H VAL 45 HN VAL 45 6.385 3.846 5.807 347 HA VAL 45 HA VAL 45 6.254 1.073 5.021 348 HB VAL 45 HB VAL 45 3.820 1.454 4.614 349 HG11 VAL 45 HG11 VAL 45 3.211 1.847 6.978 350 HG12 VAL 45 HG12 VAL 45 4.832 2.462 7.296 351 HG13 VAL 45 HG13 VAL 45 4.607 0.776 6.837 352 HG21 VAL 45 HG21 VAL 45 2.777 3.600 5.246 353 HG22 VAL 45 HG22 VAL 45 3.867 3.794 3.871 354 HG23 VAL 45 HG23 VAL 45 4.382 4.309 5.479 355 H ILE 46 HN ILE 46 6.305 4.152 3.256 356 HA ILE 46 HA ILE 46 5.672 3.155 0.673 357 HB ILE 46 HB ILE 46 7.487 5.470 1.492 358 HG12 ILE 46 HG12 ILE 46 4.667 5.523 0.306 359 HG13 ILE 46 HG11 ILE 46 5.028 5.681 2.024 360 HG21 ILE 46 HG21 ILE 46 7.396 6.278 -0.855 361 HG22 ILE 46 HG22 ILE 46 6.549 4.805 -1.330 362 HG23 ILE 46 HG23 ILE 46 8.208 4.717 -0.739 363 HD11 ILE 46 HD11 ILE 46 5.883 7.591 -0.153 364 HD12 ILE 46 HD12 ILE 46 6.259 7.753 1.565 365 HD13 ILE 46 HD13 ILE 46 4.588 7.830 1.015 366 H THR 47 HN THR 47 8.805 3.706 2.250 367 HA THR 47 HA THR 47 10.545 2.612 0.366 368 HB THR 47 HB THR 47 10.868 2.708 3.404 369 HG1 THR 47 HG1 THR 47 11.431 4.573 1.332 370 HG21 THR 47 HG21 THR 47 13.014 2.525 1.244 371 HG22 THR 47 HG22 THR 47 12.584 1.238 2.374 372 HG23 THR 47 HG23 THR 47 13.304 2.733 2.971 373 H ALA 48 HN ALA 48 8.849 1.073 3.047 374 HA ALA 48 HA ALA 48 9.973 -1.507 2.899 375 HB1 ALA 48 HB1 ALA 48 8.104 -2.197 4.320 376 HB2 ALA 48 HB2 ALA 48 7.251 -0.695 3.960 377 HB3 ALA 48 HB3 ALA 48 8.763 -0.657 4.869 378 H LEU 49 HN LEU 49 6.938 -0.209 1.454 379 HA LEU 49 HA LEU 49 6.061 -2.481 0.072 380 HB2 LEU 49 HB2 LEU 49 5.609 0.462 -0.186 381 HB3 LEU 49 HB1 LEU 49 5.324 -0.428 -1.660 382 HG LEU 49 HG LEU 49 3.232 -0.052 -0.427 383 HD11 LEU 49 HD11 LEU 49 2.366 -2.341 -0.426 384 HD12 LEU 49 HD12 LEU 49 4.013 -2.972 -0.475 385 HD13 LEU 49 HD13 LEU 49 3.386 -2.029 -1.828 386 HD21 LEU 49 HD21 LEU 49 4.439 -1.696 1.819 387 HD22 LEU 49 HD22 LEU 49 2.765 -1.150 1.723 388 HD23 LEU 49 HD23 LEU 49 4.063 0.028 1.864 389 H GLU 50 HN GLU 50 8.327 0.054 -0.946 390 HA GLU 50 HA GLU 50 9.037 -0.716 -3.511 391 HB2 GLU 50 HB2 GLU 50 10.955 0.385 -1.409 392 HB3 GLU 50 HB1 GLU 50 11.180 0.460 -3.148 393 HG2 GLU 50 HG2 GLU 50 8.955 1.858 -1.648 394 HG3 GLU 50 HG1 GLU 50 10.485 2.607 -2.084 395 H GLU 51 HN GLU 51 10.481 -1.760 -0.423 396 HA GLU 51 HA GLU 51 12.573 -3.317 -1.523 397 HB2 GLU 51 HB2 GLU 51 11.304 -3.422 1.245 398 HB3 GLU 51 HB1 GLU 51 12.799 -4.239 0.811 399 HG2 GLU 51 HG2 GLU 51 12.330 -1.245 0.855 400 HG3 GLU 51 HG1 GLU 51 13.262 -2.179 2.019 401 H TYR 52 HN TYR 52 9.487 -4.347 -0.028 402 HA TYR 52 HA TYR 52 9.892 -7.127 -0.329 403 HB2 TYR 52 HB2 TYR 52 7.411 -5.464 0.162 404 HB3 TYR 52 HB1 TYR 52 7.312 -7.209 -0.008 405 HD1 TYR 52 HD2 TYR 52 8.802 -4.511 2.112 406 HD2 TYR 52 HD1 TYR 52 7.823 -8.645 1.835 407 HE1 TYR 52 HE2 TYR 52 9.233 -4.766 4.510 408 HE2 TYR 52 HE1 TYR 52 8.250 -8.909 4.234 409 HH TYR 52 HH TYR 52 8.525 -6.286 6.338 410 H PHE 53 HN PHE 53 7.775 -4.928 -2.257 411 HA PHE 53 HA PHE 53 7.207 -7.021 -4.196 412 HB2 PHE 53 HB2 PHE 53 6.421 -4.103 -4.046 413 HB3 PHE 53 HB1 PHE 53 5.994 -5.112 -5.415 414 HD1 PHE 53 HD2 PHE 53 5.490 -4.680 -1.738 415 HD2 PHE 53 HD1 PHE 53 4.086 -6.545 -5.317 416 HE1 PHE 53 HE2 PHE 53 3.419 -5.367 -0.593 417 HE2 PHE 53 HE1 PHE 53 2.035 -7.222 -4.161 418 HZ PHE 53 HZ PHE 53 1.694 -6.634 -1.796 419 H ASP 54 HN ASP 54 9.717 -4.711 -3.822 420 HA ASP 54 HA ASP 54 11.680 -4.468 -4.908 421 HB2 ASP 54 HB2 ASP 54 11.377 -7.010 -5.239 422 HB3 ASP 54 HB1 ASP 54 10.809 -6.650 -6.864 423 H PHE 55 HN PHE 55 9.601 -2.726 -5.543 424 HA PHE 55 HA PHE 55 10.009 -2.033 -8.396 425 HB2 PHE 55 HB2 PHE 55 7.686 -1.864 -8.868 426 HB3 PHE 55 HB1 PHE 55 7.843 -3.399 -8.026 427 HD1 PHE 55 HD1 PHE 55 7.883 -2.481 -5.152 428 HD2 PHE 55 HD2 PHE 55 5.468 -1.185 -8.430 429 HE1 PHE 55 HE1 PHE 55 6.113 -1.806 -3.599 430 HE2 PHE 55 HE2 PHE 55 3.710 -0.529 -6.851 431 HZ PHE 55 HZ PHE 55 4.030 -0.839 -4.441 432 H SER 56 HN SER 56 8.640 0.191 -8.730 433 HA SER 56 HA SER 56 8.983 1.948 -6.380 434 HB2 SER 56 HB2 SER 56 9.594 2.633 -9.284 435 HB3 SER 56 HB1 SER 56 9.667 3.766 -7.933 436 HG SER 56 HG SER 56 11.120 1.837 -7.107 437 H VAL 57 HN VAL 57 6.933 2.367 -5.693 438 HA VAL 57 HA VAL 57 4.707 3.029 -7.380 439 HB VAL 57 HB VAL 57 5.083 4.181 -4.568 440 HG11 VAL 57 HG11 VAL 57 2.579 3.286 -6.041 441 HG12 VAL 57 HG12 VAL 57 3.123 4.951 -5.820 442 HG13 VAL 57 HG13 VAL 57 2.627 3.995 -4.421 443 HG21 VAL 57 HG21 VAL 57 4.072 1.371 -5.083 444 HG22 VAL 57 HG22 VAL 57 4.144 2.195 -3.524 445 HG23 VAL 57 HG23 VAL 57 5.635 1.786 -4.372 446 H ASP 58 HN ASP 58 4.593 4.911 -8.616 447 HA ASP 58 HA ASP 58 6.788 6.789 -8.533 448 HB2 ASP 58 HB2 ASP 58 5.671 6.024 -10.656 449 HB3 ASP 58 HB1 ASP 58 4.235 6.929 -10.186 450 H ASP 59 HN ASP 59 6.672 9.058 -7.981 451 HA ASP 59 HA ASP 59 5.129 9.590 -5.667 452 HB2 ASP 59 HB2 ASP 59 7.373 10.537 -6.031 453 HB3 ASP 59 HB1 ASP 59 6.756 11.509 -7.363 454 H ASP 60 HN ASP 60 4.503 10.271 -9.047 455 HA ASP 60 HA ASP 60 2.472 12.289 -8.617 456 HB2 ASP 60 HB2 ASP 60 3.067 10.642 -11.107 457 HB3 ASP 60 HB1 ASP 60 1.959 12.010 -11.046 458 H GLU 61 HN GLU 61 2.473 8.939 -8.195 459 HA GLU 61 HA GLU 61 -0.498 8.863 -8.310 460 HB2 GLU 61 HB2 GLU 61 -0.416 6.479 -8.513 461 HB3 GLU 61 HB1 GLU 61 0.703 7.136 -9.698 462 HG2 GLU 61 HG2 GLU 61 2.575 6.630 -8.130 463 HG3 GLU 61 HG1 GLU 61 1.425 5.864 -7.045 464 H ILE 62 HN ILE 62 2.272 8.776 -6.194 465 HA ILE 62 HA ILE 62 0.850 7.726 -3.902 466 HB ILE 62 HB ILE 62 3.458 9.331 -3.893 467 HG12 ILE 62 HG12 ILE 62 3.057 6.306 -3.812 468 HG13 ILE 62 HG11 ILE 62 3.706 7.211 -5.171 469 HG21 ILE 62 HG21 ILE 62 2.309 9.345 -1.705 470 HG22 ILE 62 HG22 ILE 62 3.784 8.381 -1.616 471 HG23 ILE 62 HG23 ILE 62 2.211 7.583 -1.728 472 HD11 ILE 62 HD11 ILE 62 4.994 6.910 -2.457 473 HD12 ILE 62 HD12 ILE 62 5.650 7.837 -3.812 474 HD13 ILE 62 HD13 ILE 62 5.454 6.091 -3.951 475 H SER 63 HN SER 63 -0.781 8.852 -3.119 476 HA SER 63 HA SER 63 -0.321 11.603 -2.162 477 HB2 SER 63 HB2 SER 63 -2.732 12.057 -2.513 478 HB3 SER 63 HB1 SER 63 -1.973 11.626 -4.045 479 HG SER 63 HG SER 63 -2.838 9.526 -3.802 480 H ALA 64 HN ALA 64 -2.011 11.976 -0.276 481 HA ALA 64 HA ALA 64 -1.720 10.042 1.779 482 HB1 ALA 64 HB1 ALA 64 -3.361 11.412 3.022 483 HB2 ALA 64 HB2 ALA 64 -3.751 12.290 1.543 484 HB3 ALA 64 HB3 ALA 64 -2.140 12.428 2.247 485 H GLN 65 HN GLN 65 -4.122 10.625 -0.662 486 HA GLN 65 HA GLN 65 -6.178 8.856 0.221 487 HB2 GLN 65 HB2 GLN 65 -5.635 9.900 -2.586 488 HB3 GLN 65 HB1 GLN 65 -7.150 9.217 -2.001 489 HG2 GLN 65 HG2 GLN 65 -5.883 11.822 -1.108 490 HG3 GLN 65 HG1 GLN 65 -7.307 11.639 -2.129 491 HE21 GLN 65 HE21 GLN 65 -6.070 11.453 1.133 492 HE22 GLN 65 HE22 GLN 65 -7.605 11.364 1.921 493 H THR 66 HN THR 66 -3.123 8.220 -1.193 494 HA THR 66 HA THR 66 -3.813 5.694 -2.417 495 HB THR 66 HB THR 66 -1.089 6.852 -1.681 496 HG1 THR 66 HG1 THR 66 -1.910 6.740 -4.329 497 HG21 THR 66 HG21 THR 66 -1.754 4.568 -3.583 498 HG22 THR 66 HG22 THR 66 -0.963 4.391 -2.017 499 HG23 THR 66 HG23 THR 66 -0.150 5.258 -3.321 500 H PHE 67 HN PHE 67 -2.466 6.835 0.738 501 HA PHE 67 HA PHE 67 -2.311 4.039 1.684 502 HB2 PHE 67 HB2 PHE 67 -0.955 6.592 2.565 503 HB3 PHE 67 HB1 PHE 67 -1.096 5.252 3.697 504 HD1 PHE 67 HD2 PHE 67 0.334 6.232 0.377 505 HD2 PHE 67 HD1 PHE 67 0.347 3.322 3.520 506 HE1 PHE 67 HE2 PHE 67 2.317 5.161 -0.613 507 HE2 PHE 67 HE1 PHE 67 2.323 2.255 2.509 508 HZ PHE 67 HZ PHE 67 3.310 3.169 0.449 509 H GLU 68 HN GLU 68 -4.716 5.984 1.443 510 HA GLU 68 HA GLU 68 -5.737 6.508 3.994 511 HB2 GLU 68 HB2 GLU 68 -7.925 6.777 2.942 512 HB3 GLU 68 HB1 GLU 68 -6.677 7.513 1.944 513 HG2 GLU 68 HG2 GLU 68 -6.763 5.643 0.376 514 HG3 GLU 68 HG1 GLU 68 -7.901 4.779 1.420 515 H THR 69 HN THR 69 -5.985 3.589 2.003 516 HA THR 69 HA THR 69 -6.990 1.992 4.217 517 HB THR 69 HB THR 69 -8.607 2.917 1.876 518 HG1 THR 69 HG1 THR 69 -9.037 3.605 4.002 519 HG21 THR 69 HG21 THR 69 -10.141 1.020 1.915 520 HG22 THR 69 HG22 THR 69 -9.035 0.152 2.982 521 HG23 THR 69 HG23 THR 69 -8.539 0.556 1.337 522 H LEU 70 HN LEU 70 -6.707 -0.269 3.866 523 HA LEU 70 HA LEU 70 -4.404 -1.113 2.598 524 HB2 LEU 70 HB2 LEU 70 -5.518 -2.386 4.419 525 HB3 LEU 70 HB1 LEU 70 -6.818 -2.818 3.317 526 HG LEU 70 HG LEU 70 -5.113 -4.030 1.878 527 HD11 LEU 70 HD11 LEU 70 -3.107 -2.859 2.597 528 HD12 LEU 70 HD12 LEU 70 -2.940 -4.595 2.845 529 HD13 LEU 70 HD13 LEU 70 -3.267 -3.538 4.223 530 HD21 LEU 70 HD21 LEU 70 -6.526 -5.331 3.386 531 HD22 LEU 70 HD22 LEU 70 -5.410 -5.054 4.719 532 HD23 LEU 70 HD23 LEU 70 -4.907 -6.020 3.333 533 H GLY 71 HN GLY 71 -7.731 -1.306 1.479 534 HA2 GLY 71 HA2 GLY 71 -7.442 -2.817 -0.853 535 HA3 GLY 71 HA1 GLY 71 -8.715 -1.642 -0.550 536 H SER 72 HN SER 72 -7.090 0.661 -0.302 537 HA SER 72 HA SER 72 -6.813 1.535 -2.943 538 HB2 SER 72 HB2 SER 72 -5.439 2.716 -0.487 539 HB3 SER 72 HB1 SER 72 -5.817 3.554 -1.998 540 HG SER 72 HG SER 72 -7.857 3.718 -1.410 541 H LEU 73 HN LEU 73 -4.223 0.607 -0.574 542 HA LEU 73 HA LEU 73 -2.038 0.898 -2.369 543 HB2 LEU 73 HB2 LEU 73 -2.292 -0.859 0.104 544 HB3 LEU 73 HB1 LEU 73 -0.806 -0.714 -0.816 545 HG LEU 73 HG LEU 73 -0.520 0.679 1.052 546 HD11 LEU 73 HD11 LEU 73 0.235 1.693 -1.039 547 HD12 LEU 73 HD12 LEU 73 -0.269 2.912 0.128 548 HD13 LEU 73 HD13 LEU 73 -1.324 2.505 -1.226 549 HD21 LEU 73 HD21 LEU 73 -2.896 0.751 1.742 550 HD22 LEU 73 HD22 LEU 73 -3.186 2.004 0.531 551 HD23 LEU 73 HD23 LEU 73 -2.078 2.304 1.872 552 H ALA 74 HN ALA 74 -4.160 -1.792 -1.596 553 HA ALA 74 HA ALA 74 -2.750 -3.866 -2.838 554 HB1 ALA 74 HB1 ALA 74 -4.802 -5.154 -2.702 555 HB2 ALA 74 HB2 ALA 74 -5.743 -3.683 -2.423 556 HB3 ALA 74 HB3 ALA 74 -4.578 -4.225 -1.215 557 H LEU 75 HN LEU 75 -5.326 -1.710 -4.082 558 HA LEU 75 HA LEU 75 -5.424 -2.831 -6.696 559 HB2 LEU 75 HB2 LEU 75 -6.483 -0.294 -5.485 560 HB3 LEU 75 HB1 LEU 75 -6.324 -0.332 -7.225 561 HG LEU 75 HG LEU 75 -8.565 -0.888 -6.855 562 HD11 LEU 75 HD11 LEU 75 -7.197 -3.574 -7.180 563 HD12 LEU 75 HD12 LEU 75 -7.516 -2.405 -8.463 564 HD13 LEU 75 HD13 LEU 75 -8.860 -3.169 -7.624 565 HD21 LEU 75 HD21 LEU 75 -8.519 -1.228 -4.465 566 HD22 LEU 75 HD22 LEU 75 -7.748 -2.803 -4.666 567 HD23 LEU 75 HD23 LEU 75 -9.395 -2.542 -5.250 568 H PHE 76 HN PHE 76 -3.602 -0.061 -5.339 569 HA PHE 76 HA PHE 76 -2.430 0.880 -7.708 570 HB2 PHE 76 HB2 PHE 76 -1.720 1.102 -4.793 571 HB3 PHE 76 HB1 PHE 76 -0.480 1.550 -5.952 572 HD1 PHE 76 HD2 PHE 76 -3.988 2.340 -4.903 573 HD2 PHE 76 HD1 PHE 76 -0.542 3.676 -7.035 574 HE1 PHE 76 HE2 PHE 76 -4.999 4.560 -5.144 575 HE2 PHE 76 HE1 PHE 76 -1.563 5.896 -7.278 576 HZ PHE 76 HZ PHE 76 -3.789 6.344 -6.334 577 H VAL 77 HN VAL 77 -1.240 -1.625 -5.450 578 HA VAL 77 HA VAL 77 1.117 -2.162 -7.013 579 HB VAL 77 HB VAL 77 1.613 -3.994 -5.451 580 HG11 VAL 77 HG11 VAL 77 2.255 -1.707 -4.802 581 HG12 VAL 77 HG12 VAL 77 1.853 -2.671 -3.383 582 HG13 VAL 77 HG13 VAL 77 0.702 -1.481 -3.995 583 HG21 VAL 77 HG21 VAL 77 -0.683 -4.825 -5.084 584 HG22 VAL 77 HG22 VAL 77 -1.054 -3.384 -4.138 585 HG23 VAL 77 HG23 VAL 77 0.161 -4.530 -3.564 586 H GLU 78 HN GLU 78 -2.185 -3.471 -6.990 587 HA GLU 78 HA GLU 78 -1.819 -5.771 -8.590 588 HB2 GLU 78 HB2 GLU 78 -4.117 -3.764 -8.759 589 HB3 GLU 78 HB1 GLU 78 -4.101 -5.317 -9.578 590 HG2 GLU 78 HG2 GLU 78 -4.157 -4.877 -6.600 591 HG3 GLU 78 HG1 GLU 78 -5.526 -5.315 -7.597 592 H HIS 79 HN HIS 79 -2.080 -2.346 -9.382 593 HA HIS 79 HA HIS 79 -2.061 -2.578 -12.214 594 HB2 HIS 79 HB2 HIS 79 -1.168 -0.174 -10.560 595 HB3 HIS 79 HB1 HIS 79 -1.666 -0.154 -12.248 596 HD1 HIS 79 HD1 HIS 79 -2.974 1.640 -10.104 597 HD2 HIS 79 HD2 HIS 79 -4.488 -2.045 -11.284 598 HE1 HIS 79 HE1 HIS 79 -5.415 1.710 -9.550 599 HE2 HIS 79 HE2 HIS 79 -6.318 -0.533 -10.268 600 H LYS 80 HN LYS 80 0.490 -1.712 -9.860 601 HA LYS 80 HA LYS 80 2.452 -1.056 -11.778 602 HB2 LYS 80 HB2 LYS 80 2.833 -1.804 -8.859 603 HB3 LYS 80 HB1 LYS 80 4.023 -0.981 -9.859 604 HG2 LYS 80 HG2 LYS 80 1.316 0.110 -9.024 605 HG3 LYS 80 HG1 LYS 80 2.879 0.600 -8.375 606 HD2 LYS 80 HD2 LYS 80 2.091 0.911 -11.292 607 HD3 LYS 80 HD1 LYS 80 1.850 2.173 -10.083 608 HE2 LYS 80 HE2 LYS 80 4.309 2.187 -9.656 609 HE3 LYS 80 HE1 LYS 80 4.514 0.995 -10.945 610 HZ1 LYS 80 HZ1 LYS 80 4.935 3.251 -11.709 611 HZ2 LYS 80 HZ2 LYS 80 3.366 3.711 -11.285 612 HZ3 LYS 80 HZ3 LYS 80 3.611 2.575 -12.512 613 H LEU 81 HN LEU 81 2.160 -3.952 -9.705 614 HA LEU 81 HA LEU 81 4.528 -5.185 -10.741 615 HB2 LEU 81 HB2 LEU 81 2.310 -6.241 -8.959 616 HB3 LEU 81 HB1 LEU 81 3.621 -7.269 -9.500 617 HG LEU 81 HG LEU 81 4.138 -6.544 -7.269 618 HD11 LEU 81 HD11 LEU 81 5.881 -4.969 -9.181 619 HD12 LEU 81 HD12 LEU 81 6.056 -6.678 -8.779 620 HD13 LEU 81 HD13 LEU 81 6.302 -5.454 -7.536 621 HD21 LEU 81 HD21 LEU 81 3.788 -3.668 -8.172 622 HD22 LEU 81 HD22 LEU 81 4.330 -4.206 -6.578 623 HD23 LEU 81 HD23 LEU 81 2.696 -4.576 -7.121 624 H SER 82 HN SER 82 1.295 -5.077 -11.933 625 HA SER 82 HA SER 82 1.675 -7.447 -13.659 626 HB2 SER 82 HB2 SER 82 -0.737 -5.646 -13.221 627 HB3 SER 82 HB1 SER 82 -0.717 -7.052 -14.286 628 HG SER 82 HG SER 82 -1.039 -6.929 -11.606 629 H HIS 83 HN HIS 83 1.598 -3.945 -13.775 630 HA HIS 83 HA HIS 83 1.830 -3.935 -16.737 631 HB2 HIS 83 HB2 HIS 83 0.537 -1.788 -14.980 632 HB3 HIS 83 HB1 HIS 83 0.729 -1.707 -16.727 633 HD1 HIS 83 HD1 HIS 83 -1.277 -2.442 -18.026 634 HD2 HIS 83 HD2 HIS 83 -1.278 -4.031 -14.193 635 HE1 HIS 83 HE1 HIS 83 -3.478 -3.620 -17.787 636 HE2 HIS 83 HE2 HIS 83 -3.346 -4.760 -15.551 637 H282 PNS 84 H282 PNS 84 9.125 15.329 7.555 638 H281 PNS 84 H281 PNS 84 8.565 13.830 8.287 639 H303 PNS 84 H303 PNS 84 6.556 12.733 5.232 640 H302 PNS 84 H302 PNS 84 6.756 12.452 6.961 641 H301 PNS 84 H301 PNS 84 5.877 13.871 6.395 642 H313 PNS 84 H313 PNS 84 8.998 12.581 4.871 643 H312 PNS 84 H312 PNS 84 10.134 13.622 5.740 644 H311 PNS 84 H311 PNS 84 9.301 12.315 6.590 645 H32 PNS 84 H32 PNS 84 7.420 16.058 5.526 646 H33 PNS 84 H33 PNS 84 9.298 15.723 3.745 647 H36 PNS 84 H36 PNS 84 8.624 13.433 3.347 648 H372 PNS 84 H372 PNS 84 6.754 13.995 1.250 649 H371 PNS 84 H371 PNS 84 7.791 12.561 1.391 650 H382 PNS 84 H382 PNS 84 6.253 11.632 3.107 651 H381 PNS 84 H381 PNS 84 5.203 13.026 2.904 652 H41 PNS 84 H41 PNS 84 3.908 10.964 2.816 653 H422 PNS 84 H422 PNS 84 2.574 10.735 0.415 654 H421 PNS 84 H421 PNS 84 3.729 9.394 0.467 655 H431 PNS 84 H431 PNS 84 1.743 9.982 2.673 656 H432 PNS 84 H432 PNS 84 2.782 8.564 2.514 657 H44 PNS 84 H44 PNS 84 0.901 8.946 -0.159 Start of MODEL 13 1 H MET 1 HT1 MET 1 -9.426 -7.226 -4.382 2 HA MET 1 HA MET 1 -7.134 -7.224 -5.046 3 HB2 MET 1 HB2 MET 1 -7.555 -7.295 -2.028 4 HB3 MET 1 HB1 MET 1 -6.111 -6.655 -2.811 5 HG2 MET 1 HG2 MET 1 -7.500 -4.817 -2.211 6 HG3 MET 1 HG1 MET 1 -7.562 -4.989 -3.969 7 HE1 MET 1 HE1 MET 1 -11.227 -3.775 -2.716 8 HE2 MET 1 HE2 MET 1 -9.861 -3.301 -3.718 9 HE3 MET 1 HE3 MET 1 -9.685 -3.376 -1.965 10 H GLN 2 HN GLN 2 -5.220 -8.283 -5.263 11 HA GLN 2 HA GLN 2 -4.895 -10.964 -4.071 12 HB2 GLN 2 HB2 GLN 2 -2.978 -11.205 -5.691 13 HB3 GLN 2 HB1 GLN 2 -4.555 -11.037 -6.440 14 HG2 GLN 2 HG2 GLN 2 -4.093 -8.904 -7.279 15 HG3 GLN 2 HG1 GLN 2 -2.843 -8.593 -6.081 16 HE21 GLN 2 HE21 GLN 2 -1.382 -11.032 -6.452 17 HE22 GLN 2 HE22 GLN 2 -0.601 -10.937 -7.991 18 H HIS 3 HN HIS 3 -3.112 -7.859 -4.425 19 HA HIS 3 HA HIS 3 -0.877 -8.858 -2.863 20 HB2 HIS 3 HB2 HIS 3 -1.341 -6.239 -4.306 21 HB3 HIS 3 HB1 HIS 3 0.042 -6.462 -3.241 22 HD1 HIS 3 HD1 HIS 3 0.804 -9.367 -4.124 23 HD2 HIS 3 HD2 HIS 3 0.003 -6.216 -6.712 24 HE1 HIS 3 HE1 HIS 3 1.990 -9.920 -6.259 25 HE2 HIS 3 HE2 HIS 3 1.317 -8.108 -7.859 26 H LEU 4 HN LEU 4 -3.806 -7.682 -1.916 27 HA LEU 4 HA LEU 4 -3.312 -5.744 0.015 28 HB2 LEU 4 HB2 LEU 4 -5.418 -6.163 0.959 29 HB3 LEU 4 HB1 LEU 4 -5.610 -6.645 -0.713 30 HG LEU 4 HG LEU 4 -5.157 -8.608 1.574 31 HD11 LEU 4 HD11 LEU 4 -7.281 -7.462 1.919 32 HD12 LEU 4 HD12 LEU 4 -7.539 -9.144 1.470 33 HD13 LEU 4 HD13 LEU 4 -7.790 -7.867 0.276 34 HD21 LEU 4 HD21 LEU 4 -6.047 -9.119 -1.285 35 HD22 LEU 4 HD22 LEU 4 -5.938 -10.332 -0.007 36 HD23 LEU 4 HD23 LEU 4 -4.478 -9.535 -0.584 37 H GLU 5 HN GLU 5 -2.779 -9.233 0.193 38 HA GLU 5 HA GLU 5 -2.527 -9.432 3.024 39 HB2 GLU 5 HB2 GLU 5 -3.066 -11.437 1.762 40 HB3 GLU 5 HB1 GLU 5 -1.602 -11.295 0.801 41 HG2 GLU 5 HG2 GLU 5 -1.337 -13.084 2.419 42 HG3 GLU 5 HG1 GLU 5 -0.229 -11.774 2.810 43 H ALA 6 HN ALA 6 -0.179 -9.083 0.381 44 HA ALA 6 HA ALA 6 2.154 -9.233 2.021 45 HB1 ALA 6 HB1 ALA 6 1.870 -8.120 -0.785 46 HB2 ALA 6 HB2 ALA 6 2.178 -9.809 -0.374 47 HB3 ALA 6 HB3 ALA 6 3.374 -8.573 0.017 48 H VAL 7 HN VAL 7 0.106 -6.599 0.869 49 HA VAL 7 HA VAL 7 1.785 -4.439 1.646 50 HB VAL 7 HB VAL 7 -1.252 -4.530 1.234 51 HG11 VAL 7 HG11 VAL 7 -1.165 -2.062 1.145 52 HG12 VAL 7 HG12 VAL 7 0.552 -2.084 1.548 53 HG13 VAL 7 HG13 VAL 7 -0.641 -2.649 2.717 54 HG21 VAL 7 HG21 VAL 7 0.003 -4.979 -0.834 55 HG22 VAL 7 HG22 VAL 7 0.970 -3.523 -0.601 56 HG23 VAL 7 HG23 VAL 7 -0.763 -3.389 -0.922 57 H ARG 8 HN ARG 8 -0.960 -6.092 3.277 58 HA ARG 8 HA ARG 8 -0.819 -4.521 5.697 59 HB2 ARG 8 HB2 ARG 8 -2.482 -6.013 6.653 60 HB3 ARG 8 HB1 ARG 8 -2.953 -5.590 5.012 61 HG2 ARG 8 HG2 ARG 8 -2.062 -7.800 4.240 62 HG3 ARG 8 HG1 ARG 8 -1.742 -8.222 5.929 63 HD2 ARG 8 HD2 ARG 8 -4.125 -8.096 6.442 64 HD3 ARG 8 HD1 ARG 8 -4.485 -7.485 4.823 65 HE ARG 8 HE ARG 8 -3.176 -10.010 4.725 66 HH11 ARG 8 HH11 ARG 8 -6.339 -8.609 5.350 67 HH12 ARG 8 HH12 ARG 8 -7.190 -10.010 4.793 68 HH21 ARG 8 HH21 ARG 8 -4.325 -11.808 3.960 69 HH22 ARG 8 HH22 ARG 8 -6.057 -11.804 3.996 70 H ASN 9 HN ASN 9 0.793 -7.353 4.520 71 HA ASN 9 HA ASN 9 1.779 -8.403 6.953 72 HB2 ASN 9 HB2 ASN 9 1.945 -9.801 5.034 73 HB3 ASN 9 HB1 ASN 9 2.671 -8.537 4.054 74 HD21 ASN 9 HD21 ASN 9 4.870 -8.297 4.055 75 HD22 ASN 9 HD22 ASN 9 5.946 -9.376 4.866 76 H ILE 10 HN ILE 10 3.162 -6.182 4.547 77 HA ILE 10 HA ILE 10 5.534 -5.530 5.935 78 HB ILE 10 HB ILE 10 4.045 -4.047 3.722 79 HG12 ILE 10 HG12 ILE 10 6.534 -5.830 3.574 80 HG13 ILE 10 HG11 ILE 10 4.909 -6.359 3.162 81 HG21 ILE 10 HG21 ILE 10 6.861 -3.535 4.758 82 HG22 ILE 10 HG22 ILE 10 5.482 -2.444 4.908 83 HG23 ILE 10 HG23 ILE 10 6.155 -2.797 3.317 84 HD11 ILE 10 HD11 ILE 10 6.477 -4.210 1.745 85 HD12 ILE 10 HD12 ILE 10 4.847 -4.749 1.330 86 HD13 ILE 10 HD13 ILE 10 6.209 -5.861 1.183 87 H LEU 11 HN LEU 11 2.385 -3.833 5.737 88 HA LEU 11 HA LEU 11 2.985 -1.655 7.449 89 HB2 LEU 11 HB2 LEU 11 0.329 -3.050 6.922 90 HB3 LEU 11 HB1 LEU 11 0.489 -1.500 7.736 91 HG LEU 11 HG LEU 11 1.364 -1.972 4.863 92 HD11 LEU 11 HD11 LEU 11 -0.720 -0.856 4.180 93 HD12 LEU 11 HD12 LEU 11 -1.265 -0.847 5.858 94 HD13 LEU 11 HD13 LEU 11 -1.028 -2.377 5.014 95 HD21 LEU 11 HD21 LEU 11 0.891 0.613 6.391 96 HD22 LEU 11 HD22 LEU 11 1.330 0.485 4.687 97 HD23 LEU 11 HD23 LEU 11 2.460 -0.046 5.925 98 H GLY 12 HN GLY 12 1.613 -4.841 8.032 99 HA2 GLY 12 HA2 GLY 12 1.103 -4.624 10.802 100 HA3 GLY 12 HA1 GLY 12 1.216 -6.109 9.881 101 H ASP 13 HN ASP 13 4.011 -5.224 9.040 102 HA ASP 13 HA ASP 13 5.443 -6.263 11.355 103 HB2 ASP 13 HB2 ASP 13 5.856 -7.101 8.996 104 HB3 ASP 13 HB1 ASP 13 6.512 -5.518 8.593 105 H VAL 14 HN VAL 14 5.562 -3.356 9.248 106 HA VAL 14 HA VAL 14 7.751 -2.101 10.579 107 HB VAL 14 HB VAL 14 5.739 -0.948 8.584 108 HG11 VAL 14 HG11 VAL 14 7.355 0.920 8.245 109 HG12 VAL 14 HG12 VAL 14 8.345 0.299 9.564 110 HG13 VAL 14 HG13 VAL 14 6.720 0.896 9.888 111 HG21 VAL 14 HG21 VAL 14 8.590 -1.945 8.164 112 HG22 VAL 14 HG22 VAL 14 7.576 -1.204 6.922 113 HG23 VAL 14 HG23 VAL 14 7.116 -2.753 7.630 114 H LEU 15 HN LEU 15 4.219 -1.455 10.601 115 HA LEU 15 HA LEU 15 4.450 0.456 12.786 116 HB2 LEU 15 HB2 LEU 15 1.979 -0.715 11.463 117 HB3 LEU 15 HB1 LEU 15 1.947 0.507 12.716 118 HG LEU 15 HG LEU 15 1.610 1.787 10.813 119 HD11 LEU 15 HD11 LEU 15 4.627 1.844 11.047 120 HD12 LEU 15 HD12 LEU 15 3.489 2.696 12.099 121 HD13 LEU 15 HD13 LEU 15 3.580 3.101 10.390 122 HD21 LEU 15 HD21 LEU 15 3.638 0.132 9.284 123 HD22 LEU 15 HD22 LEU 15 2.726 1.501 8.641 124 HD23 LEU 15 HD23 LEU 15 1.881 0.038 9.140 125 H ASN 16 HN ASN 16 4.191 -2.922 12.460 126 HA ASN 16 HA ASN 16 4.027 -4.651 13.852 127 HB2 ASN 16 HB2 ASN 16 5.745 -3.416 15.178 128 HB3 ASN 16 HB1 ASN 16 4.466 -2.643 16.101 129 HD21 ASN 16 HD21 ASN 16 6.167 -5.638 15.507 130 HD22 ASN 16 HD22 ASN 16 5.620 -6.474 16.917 131 H LEU 17 HN LEU 17 1.764 -4.234 12.897 132 HA LEU 17 HA LEU 17 -0.395 -3.864 14.749 133 HB2 LEU 17 HB2 LEU 17 -0.203 -5.044 11.961 134 HB3 LEU 17 HB1 LEU 17 -1.682 -5.217 12.883 135 HG LEU 17 HG LEU 17 -1.946 -2.759 12.970 136 HD11 LEU 17 HD11 LEU 17 0.530 -2.607 11.230 137 HD12 LEU 17 HD12 LEU 17 0.374 -2.038 12.895 138 HD13 LEU 17 HD13 LEU 17 -0.553 -1.262 11.615 139 HD21 LEU 17 HD21 LEU 17 -3.011 -4.003 11.141 140 HD22 LEU 17 HD22 LEU 17 -1.573 -3.808 10.137 141 HD23 LEU 17 HD23 LEU 17 -2.531 -2.396 10.602 142 H GLY 18 HN GLY 18 1.614 -6.542 13.684 143 HA2 GLY 18 HA2 GLY 18 1.936 -8.662 14.450 144 HA3 GLY 18 HA1 GLY 18 1.056 -8.209 15.902 145 H GLU 19 HN GLU 19 -1.143 -8.710 16.054 146 HA GLU 19 HA GLU 19 -2.150 -10.745 14.180 147 HB2 GLU 19 HB2 GLU 19 -2.126 -11.133 16.679 148 HB3 GLU 19 HB1 GLU 19 -3.281 -9.817 16.869 149 HG2 GLU 19 HG2 GLU 19 -4.934 -11.080 15.523 150 HG3 GLU 19 HG1 GLU 19 -3.779 -12.393 15.330 151 H ARG 20 HN ARG 20 -2.569 -7.395 14.915 152 HA ARG 20 HA ARG 20 -5.290 -7.051 14.214 153 HB2 ARG 20 HB2 ARG 20 -3.691 -5.429 15.483 154 HB3 ARG 20 HB1 ARG 20 -3.206 -4.865 13.897 155 HG2 ARG 20 HG2 ARG 20 -6.103 -4.840 14.784 156 HG3 ARG 20 HG1 ARG 20 -5.003 -3.525 15.188 157 HD2 ARG 20 HD2 ARG 20 -4.659 -3.062 12.796 158 HD3 ARG 20 HD1 ARG 20 -5.693 -4.428 12.374 159 HE ARG 20 HE ARG 20 -7.554 -3.187 12.855 160 HH11 ARG 20 HH11 ARG 20 -4.767 -1.408 14.010 161 HH12 ARG 20 HH12 ARG 20 -5.693 -0.020 14.465 162 HH21 ARG 20 HH21 ARG 20 -8.736 -1.310 13.376 163 HH22 ARG 20 HH22 ARG 20 -7.921 0.057 14.062 164 H LYS 21 HN LYS 21 -2.337 -7.204 12.255 165 HA LYS 21 HA LYS 21 -3.517 -6.412 9.764 166 HB2 LYS 21 HB2 LYS 21 -1.535 -7.465 8.689 167 HB3 LYS 21 HB1 LYS 21 -1.122 -6.300 9.941 168 HG2 LYS 21 HG2 LYS 21 -0.280 -7.904 11.377 169 HG3 LYS 21 HG1 LYS 21 -1.288 -9.191 10.724 170 HD2 LYS 21 HD2 LYS 21 0.882 -7.991 9.007 171 HD3 LYS 21 HD1 LYS 21 1.324 -9.155 10.252 172 HE2 LYS 21 HE2 LYS 21 1.059 -10.385 8.209 173 HE3 LYS 21 HE1 LYS 21 -0.353 -10.748 9.199 174 HZ1 LYS 21 HZ1 LYS 21 -1.687 -9.336 7.870 175 HZ2 LYS 21 HZ2 LYS 21 -0.812 -10.319 6.804 176 HZ3 LYS 21 HZ3 LYS 21 -0.350 -8.709 7.045 177 H HIS 22 HN HIS 22 -3.461 -9.437 11.525 178 HA HIS 22 HA HIS 22 -4.260 -11.159 9.382 179 HB2 HIS 22 HB2 HIS 22 -3.231 -12.066 11.419 180 HB3 HIS 22 HB1 HIS 22 -4.531 -11.440 12.413 181 HD1 HIS 22 HD1 HIS 22 -3.368 -14.504 11.246 182 HD2 HIS 22 HD2 HIS 22 -7.164 -12.835 11.367 183 HE1 HIS 22 HE1 HIS 22 -4.960 -16.435 11.201 184 HE2 HIS 22 HE2 HIS 22 -7.245 -15.403 11.432 185 H THR 23 HN THR 23 -5.954 -9.328 11.906 186 HA THR 23 HA THR 23 -8.508 -10.566 11.406 187 HB THR 23 HB THR 23 -7.728 -9.902 13.701 188 HG1 THR 23 HG1 THR 23 -9.892 -10.290 13.484 189 HG21 THR 23 HG21 THR 23 -8.428 -7.078 12.832 190 HG22 THR 23 HG22 THR 23 -6.798 -7.660 13.160 191 HG23 THR 23 HG23 THR 23 -7.984 -7.588 14.464 192 H LEU 24 HN LEU 24 -6.941 -8.070 9.812 193 HA LEU 24 HA LEU 24 -9.448 -6.642 9.150 194 HB2 LEU 24 HB2 LEU 24 -8.033 -4.814 8.292 195 HB3 LEU 24 HB1 LEU 24 -7.798 -5.128 9.984 196 HG LEU 24 HG LEU 24 -5.629 -6.365 9.307 197 HD11 LEU 24 HD11 LEU 24 -6.015 -6.622 6.922 198 HD12 LEU 24 HD12 LEU 24 -4.562 -5.675 7.214 199 HD13 LEU 24 HD13 LEU 24 -6.054 -4.870 6.710 200 HD21 LEU 24 HD21 LEU 24 -5.635 -4.176 10.420 201 HD22 LEU 24 HD22 LEU 24 -5.774 -3.368 8.859 202 HD23 LEU 24 HD23 LEU 24 -4.327 -4.298 9.248 203 H THR 25 HN THR 25 -9.840 -6.051 6.957 204 HA THR 25 HA THR 25 -8.817 -7.960 4.921 205 HB THR 25 HB THR 25 -11.033 -7.655 3.772 206 HG1 THR 25 HG1 THR 25 -11.896 -6.341 6.150 207 HG21 THR 25 HG21 THR 25 -10.775 -9.588 5.287 208 HG22 THR 25 HG22 THR 25 -12.428 -8.975 5.331 209 HG23 THR 25 HG23 THR 25 -11.317 -8.601 6.647 210 H ALA 26 HN ALA 26 -9.656 -6.767 2.612 211 HA ALA 26 HA ALA 26 -7.930 -4.595 2.119 212 HB1 ALA 26 HB1 ALA 26 -9.088 -4.399 -0.052 213 HB2 ALA 26 HB2 ALA 26 -10.379 -5.452 0.532 214 HB3 ALA 26 HB3 ALA 26 -8.744 -6.085 0.337 215 H SER 27 HN SER 27 -11.247 -4.713 3.230 216 HA SER 27 HA SER 27 -12.012 -2.019 2.712 217 HB2 SER 27 HB2 SER 27 -13.112 -3.986 4.748 218 HB3 SER 27 HB1 SER 27 -13.934 -2.544 4.146 219 HG SER 27 HG SER 27 -13.632 -5.018 3.001 220 H SER 28 HN SER 28 -9.865 -3.283 5.048 221 HA SER 28 HA SER 28 -10.308 -1.769 7.363 222 HB2 SER 28 HB2 SER 28 -8.756 -3.661 7.305 223 HB3 SER 28 HB1 SER 28 -7.689 -2.797 6.200 224 HG SER 28 HG SER 28 -7.106 -1.431 7.826 225 H VAL 29 HN VAL 29 -9.889 0.318 7.904 226 HA VAL 29 HA VAL 29 -8.676 2.178 6.021 227 HB VAL 29 HB VAL 29 -9.742 2.619 8.849 228 HG11 VAL 29 HG11 VAL 29 -9.801 5.031 8.303 229 HG12 VAL 29 HG12 VAL 29 -9.043 4.699 6.745 230 HG13 VAL 29 HG13 VAL 29 -8.157 4.394 8.239 231 HG21 VAL 29 HG21 VAL 29 -11.111 3.120 6.182 232 HG22 VAL 29 HG22 VAL 29 -11.760 3.542 7.768 233 HG23 VAL 29 HG23 VAL 29 -11.510 1.851 7.343 234 H LEU 30 HN LEU 30 -6.683 3.248 6.386 235 HA LEU 30 HA LEU 30 -4.913 2.073 8.466 236 HB2 LEU 30 HB2 LEU 30 -4.105 3.242 5.782 237 HB3 LEU 30 HB1 LEU 30 -3.024 2.508 6.959 238 HG LEU 30 HG LEU 30 -5.223 1.043 5.445 239 HD11 LEU 30 HD11 LEU 30 -3.420 1.712 3.964 240 HD12 LEU 30 HD12 LEU 30 -3.401 -0.033 4.209 241 HD13 LEU 30 HD13 LEU 30 -2.224 0.988 5.043 242 HD21 LEU 30 HD21 LEU 30 -4.825 0.015 7.653 243 HD22 LEU 30 HD22 LEU 30 -3.097 -0.098 7.306 244 HD23 LEU 30 HD23 LEU 30 -4.254 -1.032 6.352 245 H LEU 31 HN LEU 31 -4.648 5.003 6.435 246 HA LEU 31 HA LEU 31 -3.597 6.670 8.415 247 HB2 LEU 31 HB2 LEU 31 -3.724 6.917 5.780 248 HB3 LEU 31 HB1 LEU 31 -5.215 7.781 6.093 249 HG LEU 31 HG LEU 31 -2.468 8.590 7.143 250 HD11 LEU 31 HD11 LEU 31 -2.500 10.391 5.493 251 HD12 LEU 31 HD12 LEU 31 -4.034 9.800 4.850 252 HD13 LEU 31 HD13 LEU 31 -2.576 8.814 4.704 253 HD21 LEU 31 HD21 LEU 31 -4.252 9.416 8.624 254 HD22 LEU 31 HD22 LEU 31 -5.067 10.158 7.245 255 HD23 LEU 31 HD23 LEU 31 -3.483 10.742 7.754 256 H GLY 32 HN GLY 32 -4.585 7.265 10.223 257 HA2 GLY 32 HA2 GLY 32 -6.181 8.580 11.399 258 HA3 GLY 32 HA1 GLY 32 -7.409 8.141 10.225 259 H ASN 33 HN ASN 33 -6.669 5.258 10.299 260 HA ASN 33 HA ASN 33 -8.228 4.507 12.661 261 HB2 ASN 33 HB2 ASN 33 -8.710 3.515 10.412 262 HB3 ASN 33 HB1 ASN 33 -7.133 2.732 10.436 263 HD21 ASN 33 HD21 ASN 33 -7.899 0.631 10.422 264 HD22 ASN 33 HD22 ASN 33 -8.812 -0.067 11.710 265 H ILE 34 HN ILE 34 -5.157 3.407 11.175 266 HA ILE 34 HA ILE 34 -4.224 2.055 13.517 267 HB ILE 34 HB ILE 34 -2.424 3.015 11.242 268 HG12 ILE 34 HG12 ILE 34 -4.284 1.813 10.156 269 HG13 ILE 34 HG11 ILE 34 -2.812 0.861 10.057 270 HG21 ILE 34 HG21 ILE 34 -1.030 1.058 11.832 271 HG22 ILE 34 HG22 ILE 34 -2.160 0.643 13.122 272 HG23 ILE 34 HG23 ILE 34 -1.250 2.146 13.204 273 HD11 ILE 34 HD11 ILE 34 -3.641 -0.574 11.884 274 HD12 ILE 34 HD12 ILE 34 -4.728 -0.539 10.495 275 HD13 ILE 34 HD13 ILE 34 -5.125 0.386 11.941 276 HA PRO 35 HA PRO 35 -2.896 5.997 15.395 277 HB2 PRO 35 HB2 PRO 35 -1.925 4.984 17.764 278 HB3 PRO 35 HB1 PRO 35 -3.652 5.170 17.438 279 HG2 PRO 35 HG2 PRO 35 -1.948 2.701 17.285 280 HG3 PRO 35 HG1 PRO 35 -3.602 2.889 17.903 281 HD2 PRO 35 HD2 PRO 35 -3.003 1.885 15.403 282 HD3 PRO 35 HD1 PRO 35 -4.534 2.685 15.789 283 H GLU 36 HN GLU 36 -0.943 3.284 14.553 284 HA GLU 36 HA GLU 36 1.610 4.473 15.288 285 HB2 GLU 36 HB2 GLU 36 1.059 1.915 13.735 286 HB3 GLU 36 HB1 GLU 36 2.571 2.367 14.514 287 HG2 GLU 36 HG2 GLU 36 -0.037 1.557 15.828 288 HG3 GLU 36 HG1 GLU 36 1.502 0.706 15.870 289 H LEU 37 HN LEU 37 -0.501 4.371 12.570 290 HA LEU 37 HA LEU 37 1.464 4.702 10.482 291 HB2 LEU 37 HB2 LEU 37 -0.903 3.665 10.258 292 HB3 LEU 37 HB1 LEU 37 -1.530 5.295 10.278 293 HG LEU 37 HG LEU 37 -1.363 4.216 7.984 294 HD11 LEU 37 HD11 LEU 37 -1.528 6.651 8.175 295 HD12 LEU 37 HD12 LEU 37 -0.570 6.161 6.778 296 HD13 LEU 37 HD13 LEU 37 0.234 6.777 8.225 297 HD21 LEU 37 HD21 LEU 37 0.803 4.022 6.868 298 HD22 LEU 37 HD22 LEU 37 0.746 2.998 8.298 299 HD23 LEU 37 HD23 LEU 37 1.636 4.521 8.343 300 H ASP 38 HN ASP 38 2.685 6.425 11.277 301 HA ASP 38 HA ASP 38 1.572 9.139 11.423 302 HB2 ASP 38 HB2 ASP 38 3.041 8.311 13.275 303 HB3 ASP 38 HB1 ASP 38 4.319 7.955 12.123 304 H SER 39 HN SER 39 3.028 10.828 10.396 305 HA SER 39 HA SER 39 3.426 10.822 7.710 306 HB2 SER 39 HB2 SER 39 4.572 12.348 10.017 307 HB3 SER 39 HB1 SER 39 5.440 12.495 8.491 308 H MET 40 HN MET 40 6.167 10.309 10.017 309 HA MET 40 HA MET 40 8.022 9.648 7.968 310 HB2 MET 40 HB2 MET 40 8.198 9.014 10.938 311 HB3 MET 40 HB1 MET 40 9.524 8.952 9.777 312 HG2 MET 40 HG2 MET 40 7.981 11.445 10.540 313 HG3 MET 40 HG1 MET 40 9.590 11.010 11.124 314 HE1 MET 40 HE1 MET 40 10.481 13.422 10.353 315 HE2 MET 40 HE2 MET 40 8.876 13.840 9.750 316 HE3 MET 40 HE3 MET 40 10.286 14.047 8.714 317 H ALA 41 HN ALA 41 5.810 7.776 9.853 318 HA ALA 41 HA ALA 41 6.685 5.168 9.274 319 HB1 ALA 41 HB1 ALA 41 4.411 4.497 9.899 320 HB2 ALA 41 HB2 ALA 41 3.889 6.177 9.849 321 HB3 ALA 41 HB3 ALA 41 5.084 5.656 11.040 322 H VAL 42 HN VAL 42 4.548 7.383 7.365 323 HA VAL 42 HA VAL 42 3.826 5.414 5.424 324 HB VAL 42 HB VAL 42 2.938 7.071 3.987 325 HG11 VAL 42 HG11 VAL 42 1.556 8.529 5.408 326 HG12 VAL 42 HG12 VAL 42 2.605 8.182 6.780 327 HG13 VAL 42 HG13 VAL 42 1.657 6.888 6.051 328 HG21 VAL 42 HG21 VAL 42 3.403 9.514 4.087 329 HG22 VAL 42 HG22 VAL 42 4.846 8.577 3.705 330 HG23 VAL 42 HG23 VAL 42 4.625 9.225 5.322 331 H VAL 43 HN VAL 43 6.573 7.612 5.761 332 HA VAL 43 HA VAL 43 7.710 7.208 3.165 333 HB VAL 43 HB VAL 43 9.373 7.725 5.665 334 HG11 VAL 43 HG11 VAL 43 10.824 9.009 4.140 335 HG12 VAL 43 HG12 VAL 43 9.763 8.624 2.784 336 HG13 VAL 43 HG13 VAL 43 10.657 7.339 3.599 337 HG21 VAL 43 HG21 VAL 43 7.497 9.254 5.795 338 HG22 VAL 43 HG22 VAL 43 7.747 9.778 4.124 339 HG23 VAL 43 HG23 VAL 43 8.956 10.146 5.357 340 H ASN 44 HN ASN 44 8.262 5.667 6.284 341 HA ASN 44 HA ASN 44 10.254 3.832 5.638 342 HB2 ASN 44 HB2 ASN 44 8.114 3.892 7.778 343 HB3 ASN 44 HB1 ASN 44 9.304 2.586 7.725 344 HD21 ASN 44 HD21 ASN 44 8.833 4.640 9.766 345 HD22 ASN 44 HD22 ASN 44 10.334 5.464 9.963 346 H VAL 45 HN VAL 45 6.719 3.381 5.560 347 HA VAL 45 HA VAL 45 6.885 0.595 4.893 348 HB VAL 45 HB VAL 45 4.438 0.656 4.533 349 HG11 VAL 45 HG11 VAL 45 3.797 1.230 6.851 350 HG12 VAL 45 HG12 VAL 45 5.332 2.069 7.069 351 HG13 VAL 45 HG13 VAL 45 5.313 0.328 6.802 352 HG21 VAL 45 HG21 VAL 45 4.663 3.642 5.050 353 HG22 VAL 45 HG22 VAL 45 3.149 2.732 4.963 354 HG23 VAL 45 HG23 VAL 45 4.175 2.878 3.535 355 H ILE 46 HN ILE 46 6.540 3.583 2.963 356 HA ILE 46 HA ILE 46 5.982 2.299 0.482 357 HB ILE 46 HB ILE 46 7.363 4.964 1.023 358 HG12 ILE 46 HG12 ILE 46 4.544 4.315 0.010 359 HG13 ILE 46 HG11 ILE 46 4.946 4.802 1.653 360 HG21 ILE 46 HG21 ILE 46 7.055 5.516 -1.390 361 HG22 ILE 46 HG22 ILE 46 6.496 3.868 -1.696 362 HG23 ILE 46 HG23 ILE 46 8.155 4.156 -1.172 363 HD11 ILE 46 HD11 ILE 46 5.676 6.988 0.820 364 HD12 ILE 46 HD12 ILE 46 4.000 6.636 0.397 365 HD13 ILE 46 HD13 ILE 46 5.264 6.496 -0.827 366 H THR 47 HN THR 47 9.046 3.382 1.939 367 HA THR 47 HA THR 47 10.903 2.466 0.093 368 HB THR 47 HB THR 47 11.196 2.505 3.142 369 HG1 THR 47 HG1 THR 47 11.058 4.585 2.831 370 HG21 THR 47 HG21 THR 47 13.358 2.603 0.988 371 HG22 THR 47 HG22 THR 47 13.047 1.236 2.063 372 HG23 THR 47 HG23 THR 47 13.620 2.766 2.725 373 H ALA 48 HN ALA 48 9.451 0.717 2.825 374 HA ALA 48 HA ALA 48 10.740 -1.755 2.555 375 HB1 ALA 48 HB1 ALA 48 8.924 -2.644 3.940 376 HB2 ALA 48 HB2 ALA 48 7.973 -1.189 3.645 377 HB3 ALA 48 HB3 ALA 48 9.482 -1.087 4.553 378 H LEU 49 HN LEU 49 7.552 -0.738 1.214 379 HA LEU 49 HA LEU 49 6.848 -3.002 -0.236 380 HB2 LEU 49 HB2 LEU 49 6.204 -0.088 -0.448 381 HB3 LEU 49 HB1 LEU 49 5.922 -0.996 -1.914 382 HG LEU 49 HG LEU 49 3.857 -0.737 -0.628 383 HD11 LEU 49 HD11 LEU 49 3.109 -3.060 -0.581 384 HD12 LEU 49 HD12 LEU 49 4.782 -3.618 -0.656 385 HD13 LEU 49 HD13 LEU 49 4.081 -2.728 -2.010 386 HD21 LEU 49 HD21 LEU 49 5.212 -2.272 1.603 387 HD22 LEU 49 HD22 LEU 49 3.505 -1.826 1.539 388 HD23 LEU 49 HD23 LEU 49 4.734 -0.570 1.631 389 H GLU 50 HN GLU 50 8.900 -0.287 -1.248 390 HA GLU 50 HA GLU 50 9.482 -0.940 -3.891 391 HB2 GLU 50 HB2 GLU 50 11.374 0.397 -1.900 392 HB3 GLU 50 HB1 GLU 50 11.474 0.501 -3.649 393 HG2 GLU 50 HG2 GLU 50 9.161 1.577 -2.034 394 HG3 GLU 50 HG1 GLU 50 10.562 2.535 -2.477 395 H GLU 51 HN GLU 51 11.202 -1.850 -0.913 396 HA GLU 51 HA GLU 51 13.375 -3.213 -2.114 397 HB2 GLU 51 HB2 GLU 51 12.209 -3.481 0.694 398 HB3 GLU 51 HB1 GLU 51 13.775 -4.112 0.194 399 HG2 GLU 51 HG2 GLU 51 12.968 -1.194 0.295 400 HG3 GLU 51 HG1 GLU 51 14.010 -2.023 1.446 401 H TYR 52 HN TYR 52 10.381 -4.436 -0.622 402 HA TYR 52 HA TYR 52 11.074 -7.187 -0.902 403 HB2 TYR 52 HB2 TYR 52 8.440 -5.873 -0.138 404 HB3 TYR 52 HB1 TYR 52 8.720 -7.616 -0.080 405 HD1 TYR 52 HD1 TYR 52 11.206 -8.112 1.159 406 HD2 TYR 52 HD2 TYR 52 8.538 -4.889 2.024 407 HE1 TYR 52 HE1 TYR 52 12.182 -7.902 3.410 408 HE2 TYR 52 HE2 TYR 52 9.507 -4.683 4.259 409 HH TYR 52 HH TYR 52 10.745 -5.943 5.857 410 H PHE 53 HN PHE 53 8.975 -5.039 -2.812 411 HA PHE 53 HA PHE 53 8.274 -7.230 -4.651 412 HB2 PHE 53 HB2 PHE 53 7.338 -4.360 -4.462 413 HB3 PHE 53 HB1 PHE 53 6.900 -5.405 -5.805 414 HD1 PHE 53 HD2 PHE 53 6.733 -5.254 -2.046 415 HD2 PHE 53 HD1 PHE 53 4.902 -6.627 -5.659 416 HE1 PHE 53 HE2 PHE 53 4.773 -6.026 -0.772 417 HE2 PHE 53 HE1 PHE 53 2.951 -7.394 -4.379 418 HZ PHE 53 HZ PHE 53 2.882 -7.086 -1.942 419 H ASP 54 HN ASP 54 10.701 -4.838 -4.374 420 HA ASP 54 HA ASP 54 12.543 -4.391 -5.608 421 HB2 ASP 54 HB2 ASP 54 11.530 -6.562 -7.502 422 HB3 ASP 54 HB1 ASP 54 13.144 -5.861 -7.555 423 H PHE 55 HN PHE 55 10.115 -2.866 -6.026 424 HA PHE 55 HA PHE 55 10.364 -1.995 -8.863 425 HB2 PHE 55 HB2 PHE 55 8.020 -1.876 -9.154 426 HB3 PHE 55 HB1 PHE 55 8.260 -3.413 -8.341 427 HD1 PHE 55 HD1 PHE 55 8.418 -2.689 -5.492 428 HD2 PHE 55 HD2 PHE 55 5.907 -1.088 -8.548 429 HE1 PHE 55 HE1 PHE 55 6.753 -2.067 -3.807 430 HE2 PHE 55 HE2 PHE 55 4.253 -0.470 -6.844 431 HZ PHE 55 HZ PHE 55 4.669 -0.960 -4.474 432 H SER 56 HN SER 56 9.064 0.178 -9.106 433 HA SER 56 HA SER 56 9.415 1.939 -6.758 434 HB2 SER 56 HB2 SER 56 9.818 2.662 -9.688 435 HB3 SER 56 HB1 SER 56 9.995 3.755 -8.311 436 HG SER 56 HG SER 56 11.537 1.829 -7.673 437 H VAL 57 HN VAL 57 7.450 2.594 -6.010 438 HA VAL 57 HA VAL 57 5.091 2.869 -7.663 439 HB VAL 57 HB VAL 57 5.477 4.265 -4.964 440 HG11 VAL 57 HG11 VAL 57 3.026 4.017 -4.759 441 HG12 VAL 57 HG12 VAL 57 2.973 3.211 -6.330 442 HG13 VAL 57 HG13 VAL 57 3.469 4.899 -6.221 443 HG21 VAL 57 HG21 VAL 57 6.098 1.913 -4.610 444 HG22 VAL 57 HG22 VAL 57 4.565 1.387 -5.307 445 HG23 VAL 57 HG23 VAL 57 4.584 2.303 -3.796 446 H ASP 58 HN ASP 58 4.405 4.761 -8.707 447 HA ASP 58 HA ASP 58 6.418 6.751 -9.275 448 HB2 ASP 58 HB2 ASP 58 5.002 5.886 -11.074 449 HB3 ASP 58 HB1 ASP 58 3.548 6.434 -10.244 450 H ASP 59 HN ASP 59 6.468 8.878 -8.575 451 HA ASP 59 HA ASP 59 5.343 9.572 -6.115 452 HB2 ASP 59 HB2 ASP 59 7.415 10.569 -7.007 453 HB3 ASP 59 HB1 ASP 59 6.499 11.389 -8.265 454 H ASP 60 HN ASP 60 4.197 10.278 -9.396 455 HA ASP 60 HA ASP 60 2.321 12.338 -8.623 456 HB2 ASP 60 HB2 ASP 60 2.556 10.879 -11.294 457 HB3 ASP 60 HB1 ASP 60 1.657 12.370 -11.002 458 H GLU 61 HN GLU 61 2.124 8.982 -8.355 459 HA GLU 61 HA GLU 61 -0.843 9.017 -8.527 460 HB2 GLU 61 HB2 GLU 61 -0.848 6.632 -8.545 461 HB3 GLU 61 HB1 GLU 61 0.422 7.122 -9.657 462 HG2 GLU 61 HG2 GLU 61 2.083 6.691 -7.821 463 HG3 GLU 61 HG1 GLU 61 0.781 6.041 -6.850 464 H ILE 62 HN ILE 62 1.855 8.769 -6.292 465 HA ILE 62 HA ILE 62 0.368 7.823 -4.047 466 HB ILE 62 HB ILE 62 2.985 9.390 -3.878 467 HG12 ILE 62 HG12 ILE 62 2.657 6.353 -4.154 468 HG13 ILE 62 HG11 ILE 62 3.308 7.429 -5.386 469 HG21 ILE 62 HG21 ILE 62 1.713 7.393 -1.955 470 HG22 ILE 62 HG22 ILE 62 1.772 9.140 -1.741 471 HG23 ILE 62 HG23 ILE 62 3.264 8.208 -1.719 472 HD11 ILE 62 HD11 ILE 62 5.068 6.222 -4.204 473 HD12 ILE 62 HD12 ILE 62 4.550 6.934 -2.672 474 HD13 ILE 62 HD13 ILE 62 5.207 7.963 -3.952 475 H SER 63 HN SER 63 -1.246 8.961 -3.271 476 HA SER 63 HA SER 63 -0.910 11.786 -2.486 477 HB2 SER 63 HB2 SER 63 -2.862 11.345 -3.976 478 HB3 SER 63 HB1 SER 63 -3.460 10.130 -2.848 479 HG SER 63 HG SER 63 -3.347 12.929 -2.590 480 H ALA 64 HN ALA 64 -1.996 12.245 -0.324 481 HA ALA 64 HA ALA 64 -1.370 10.390 1.767 482 HB1 ALA 64 HB1 ALA 64 -3.200 12.823 1.843 483 HB2 ALA 64 HB2 ALA 64 -1.470 12.823 2.185 484 HB3 ALA 64 HB3 ALA 64 -2.576 11.954 3.247 485 H GLN 65 HN GLN 65 -4.158 11.060 -0.242 486 HA GLN 65 HA GLN 65 -6.114 9.488 1.156 487 HB2 GLN 65 HB2 GLN 65 -6.134 10.321 -1.777 488 HB3 GLN 65 HB1 GLN 65 -7.522 9.800 -0.826 489 HG2 GLN 65 HG2 GLN 65 -5.946 12.370 -0.540 490 HG3 GLN 65 HG1 GLN 65 -7.609 12.190 -1.089 491 HE21 GLN 65 HE21 GLN 65 -5.501 12.295 1.675 492 HE22 GLN 65 HE22 GLN 65 -6.736 12.384 2.876 493 H THR 66 HN THR 66 -3.403 8.589 -0.744 494 HA THR 66 HA THR 66 -4.380 6.125 -1.838 495 HB THR 66 HB THR 66 -1.537 7.009 -1.152 496 HG1 THR 66 HG1 THR 66 -3.038 7.024 -3.568 497 HG21 THR 66 HG21 THR 66 -0.755 5.243 -2.694 498 HG22 THR 66 HG22 THR 66 -2.412 4.671 -2.895 499 HG23 THR 66 HG23 THR 66 -1.616 4.537 -1.324 500 H PHE 67 HN PHE 67 -3.072 7.164 1.280 501 HA PHE 67 HA PHE 67 -2.916 4.452 2.333 502 HB2 PHE 67 HB2 PHE 67 -2.196 7.158 3.517 503 HB3 PHE 67 HB1 PHE 67 -2.060 5.648 4.414 504 HD1 PHE 67 HD2 PHE 67 -0.831 7.429 1.364 505 HD2 PHE 67 HD1 PHE 67 -0.167 4.222 4.127 506 HE1 PHE 67 HE2 PHE 67 1.365 7.003 0.353 507 HE2 PHE 67 HE1 PHE 67 2.025 3.807 3.100 508 HZ PHE 67 HZ PHE 67 2.781 5.187 1.217 509 H GLU 68 HN GLU 68 -5.552 6.154 1.749 510 HA GLU 68 HA GLU 68 -6.898 6.459 4.196 511 HB2 GLU 68 HB2 GLU 68 -9.002 6.459 2.948 512 HB3 GLU 68 HB1 GLU 68 -7.790 7.391 2.077 513 HG2 GLU 68 HG2 GLU 68 -7.492 5.636 0.453 514 HG3 GLU 68 HG1 GLU 68 -8.465 4.514 1.398 515 H THR 69 HN THR 69 -6.783 3.610 2.022 516 HA THR 69 HA THR 69 -7.503 1.848 4.272 517 HB THR 69 HB THR 69 -9.003 0.506 2.762 518 HG1 THR 69 HG1 THR 69 -9.665 1.382 0.800 519 HG21 THR 69 HG21 THR 69 -10.073 2.076 4.326 520 HG22 THR 69 HG22 THR 69 -10.979 1.991 2.817 521 HG23 THR 69 HG23 THR 69 -9.937 3.376 3.137 522 H LEU 70 HN LEU 70 -7.034 -0.414 3.850 523 HA LEU 70 HA LEU 70 -4.500 -0.982 2.831 524 HB2 LEU 70 HB2 LEU 70 -5.614 -2.378 4.530 525 HB3 LEU 70 HB1 LEU 70 -6.830 -2.863 3.358 526 HG LEU 70 HG LEU 70 -4.979 -3.947 1.991 527 HD11 LEU 70 HD11 LEU 70 -3.095 -2.664 2.861 528 HD12 LEU 70 HD12 LEU 70 -2.831 -4.397 3.051 529 HD13 LEU 70 HD13 LEU 70 -3.295 -3.419 4.447 530 HD21 LEU 70 HD21 LEU 70 -5.372 -5.046 4.792 531 HD22 LEU 70 HD22 LEU 70 -4.773 -5.958 3.406 532 HD23 LEU 70 HD23 LEU 70 -6.422 -5.334 3.404 533 H GLY 71 HN GLY 71 -7.714 -1.401 1.462 534 HA2 GLY 71 HA2 GLY 71 -7.060 -2.861 -0.867 535 HA3 GLY 71 HA1 GLY 71 -8.515 -1.908 -0.624 536 H SER 72 HN SER 72 -6.964 0.584 -0.159 537 HA SER 72 HA SER 72 -6.667 1.502 -2.826 538 HB2 SER 72 HB2 SER 72 -5.813 2.769 -0.193 539 HB3 SER 72 HB1 SER 72 -5.801 3.593 -1.761 540 HG SER 72 HG SER 72 -7.900 3.014 -0.101 541 H LEU 73 HN LEU 73 -4.157 0.863 -0.260 542 HA LEU 73 HA LEU 73 -1.902 1.269 -1.936 543 HB2 LEU 73 HB2 LEU 73 -2.225 -0.457 0.549 544 HB3 LEU 73 HB1 LEU 73 -0.697 -0.331 -0.298 545 HG LEU 73 HG LEU 73 -0.583 1.095 1.606 546 HD11 LEU 73 HD11 LEU 73 0.488 1.995 -0.389 547 HD12 LEU 73 HD12 LEU 73 -0.120 3.288 0.640 548 HD13 LEU 73 HD13 LEU 73 -0.996 2.846 -0.828 549 HD21 LEU 73 HD21 LEU 73 -2.142 2.860 2.126 550 HD22 LEU 73 HD22 LEU 73 -2.996 1.325 2.025 551 HD23 LEU 73 HD23 LEU 73 -3.112 2.484 0.700 552 H ALA 74 HN ALA 74 -3.886 -1.560 -1.317 553 HA ALA 74 HA ALA 74 -2.402 -3.563 -2.571 554 HB1 ALA 74 HB1 ALA 74 -4.506 -4.828 -2.640 555 HB2 ALA 74 HB2 ALA 74 -5.419 -3.359 -2.294 556 HB3 ALA 74 HB3 ALA 74 -4.318 -4.016 -1.083 557 H LEU 75 HN LEU 75 -5.040 -1.508 -3.829 558 HA LEU 75 HA LEU 75 -5.129 -2.554 -6.442 559 HB2 LEU 75 HB2 LEU 75 -6.336 -0.244 -5.046 560 HB3 LEU 75 HB1 LEU 75 -6.014 0.109 -6.727 561 HG LEU 75 HG LEU 75 -8.325 -0.656 -6.444 562 HD11 LEU 75 HD11 LEU 75 -6.692 -2.761 -7.895 563 HD12 LEU 75 HD12 LEU 75 -7.189 -1.202 -8.558 564 HD13 LEU 75 HD13 LEU 75 -8.405 -2.403 -8.135 565 HD21 LEU 75 HD21 LEU 75 -8.879 -2.928 -5.711 566 HD22 LEU 75 HD22 LEU 75 -8.046 -2.038 -4.438 567 HD23 LEU 75 HD23 LEU 75 -7.174 -3.254 -5.377 568 H PHE 76 HN PHE 76 -3.350 0.211 -5.087 569 HA PHE 76 HA PHE 76 -2.248 1.206 -7.466 570 HB2 PHE 76 HB2 PHE 76 -1.480 1.454 -4.557 571 HB3 PHE 76 HB1 PHE 76 -0.360 2.050 -5.779 572 HD1 PHE 76 HD2 PHE 76 -4.116 2.212 -5.335 573 HD2 PHE 76 HD1 PHE 76 -0.483 4.363 -6.011 574 HE1 PHE 76 HE2 PHE 76 -5.382 4.307 -5.517 575 HE2 PHE 76 HE1 PHE 76 -1.762 6.440 -6.200 576 HZ PHE 76 HZ PHE 76 -4.205 6.427 -5.953 577 H VAL 77 HN VAL 77 -0.704 -1.031 -5.090 578 HA VAL 77 HA VAL 77 1.613 -1.459 -6.699 579 HB VAL 77 HB VAL 77 2.252 -3.243 -5.151 580 HG11 VAL 77 HG11 VAL 77 2.319 -1.932 -3.045 581 HG12 VAL 77 HG12 VAL 77 1.083 -0.845 -3.679 582 HG13 VAL 77 HG13 VAL 77 2.670 -0.920 -4.447 583 HG21 VAL 77 HG21 VAL 77 -0.510 -2.947 -3.911 584 HG22 VAL 77 HG22 VAL 77 0.802 -3.934 -3.259 585 HG23 VAL 77 HG23 VAL 77 0.079 -4.343 -4.815 586 H GLU 78 HN GLU 78 -1.532 -2.998 -6.640 587 HA GLU 78 HA GLU 78 -0.862 -5.282 -8.238 588 HB2 GLU 78 HB2 GLU 78 -3.498 -3.944 -7.571 589 HB3 GLU 78 HB1 GLU 78 -3.408 -5.339 -8.647 590 HG2 GLU 78 HG2 GLU 78 -2.483 -6.723 -6.904 591 HG3 GLU 78 HG1 GLU 78 -2.319 -5.333 -5.828 592 H HIS 79 HN HIS 79 -1.737 -1.969 -8.926 593 HA HIS 79 HA HIS 79 -2.080 -2.295 -11.754 594 HB2 HIS 79 HB2 HIS 79 -1.483 0.171 -10.077 595 HB3 HIS 79 HB1 HIS 79 -1.785 0.227 -11.811 596 HD1 HIS 79 HD1 HIS 79 -3.658 1.875 -10.254 597 HD2 HIS 79 HD2 HIS 79 -4.347 -2.185 -10.767 598 HE1 HIS 79 HE1 HIS 79 -6.120 1.555 -9.898 599 HE2 HIS 79 HE2 HIS 79 -6.535 -0.871 -10.404 600 H LYS 80 HN LYS 80 0.628 -1.571 -9.613 601 HA LYS 80 HA LYS 80 2.510 -0.763 -11.589 602 HB2 LYS 80 HB2 LYS 80 3.033 -1.839 -8.790 603 HB3 LYS 80 HB1 LYS 80 4.188 -0.945 -9.774 604 HG2 LYS 80 HG2 LYS 80 1.597 0.124 -8.620 605 HG3 LYS 80 HG1 LYS 80 3.221 0.487 -8.047 606 HD2 LYS 80 HD2 LYS 80 2.192 1.169 -10.820 607 HD3 LYS 80 HD1 LYS 80 2.176 2.285 -9.455 608 HE2 LYS 80 HE2 LYS 80 4.665 2.074 -9.308 609 HE3 LYS 80 HE1 LYS 80 4.633 1.062 -10.754 610 HZ1 LYS 80 HZ1 LYS 80 5.140 3.405 -11.206 611 HZ2 LYS 80 HZ2 LYS 80 3.611 3.842 -10.628 612 HZ3 LYS 80 HZ3 LYS 80 3.753 2.873 -12.007 613 H LEU 81 HN LEU 81 2.190 -3.809 -9.759 614 HA LEU 81 HA LEU 81 4.356 -5.089 -11.161 615 HB2 LEU 81 HB2 LEU 81 2.392 -6.106 -9.076 616 HB3 LEU 81 HB1 LEU 81 3.535 -7.179 -9.857 617 HG LEU 81 HG LEU 81 4.474 -6.622 -7.730 618 HD11 LEU 81 HD11 LEU 81 6.113 -6.658 -9.537 619 HD12 LEU 81 HD12 LEU 81 6.591 -5.549 -8.257 620 HD13 LEU 81 HD13 LEU 81 5.925 -4.917 -9.766 621 HD21 LEU 81 HD21 LEU 81 4.873 -4.339 -6.910 622 HD22 LEU 81 HD22 LEU 81 3.159 -4.661 -7.152 623 HD23 LEU 81 HD23 LEU 81 4.042 -3.682 -8.324 624 H SER 82 HN SER 82 0.993 -4.744 -11.882 625 HA SER 82 HA SER 82 1.015 -7.027 -13.757 626 HB2 SER 82 HB2 SER 82 -1.205 -5.044 -13.101 627 HB3 SER 82 HB1 SER 82 -1.361 -6.435 -14.177 628 HG SER 82 HG SER 82 -1.930 -6.505 -11.734 629 H HIS 83 HN HIS 83 1.191 -3.498 -13.697 630 HA HIS 83 HA HIS 83 1.616 -3.404 -16.625 631 HB2 HIS 83 HB2 HIS 83 -0.083 -1.427 -15.026 632 HB3 HIS 83 HB1 HIS 83 0.344 -1.247 -16.723 633 HD1 HIS 83 HD1 HIS 83 -2.202 -2.648 -14.532 634 HD2 HIS 83 HD2 HIS 83 -0.859 -3.364 -18.395 635 HE1 HIS 83 HE1 HIS 83 -3.996 -4.011 -15.629 636 HE2 HIS 83 HE2 HIS 83 -3.110 -4.518 -17.925 637 H282 PNS 84 H282 PNS 84 6.866 15.201 6.987 638 H281 PNS 84 H281 PNS 84 6.353 13.716 7.794 639 H303 PNS 84 H303 PNS 84 5.389 11.785 6.307 640 H302 PNS 84 H302 PNS 84 4.442 12.887 5.310 641 H301 PNS 84 H301 PNS 84 5.642 11.830 4.563 642 H313 PNS 84 H313 PNS 84 7.877 12.214 6.681 643 H312 PNS 84 H312 PNS 84 8.087 12.233 4.928 644 H311 PNS 84 H311 PNS 84 8.653 13.596 5.894 645 H32 PNS 84 H32 PNS 84 5.605 15.125 4.411 646 H33 PNS 84 H33 PNS 84 7.999 15.401 3.480 647 H36 PNS 84 H36 PNS 84 8.339 13.035 3.311 648 H372 PNS 84 H372 PNS 84 7.345 12.704 0.656 649 H371 PNS 84 H371 PNS 84 8.729 11.893 1.384 650 H382 PNS 84 H382 PNS 84 7.403 10.040 1.086 651 H381 PNS 84 H381 PNS 84 6.796 10.526 2.664 652 H41 PNS 84 H41 PNS 84 5.056 9.041 1.754 653 H422 PNS 84 H422 PNS 84 3.192 10.133 -0.189 654 H421 PNS 84 H421 PNS 84 3.049 8.620 0.698 655 H431 PNS 84 H431 PNS 84 2.256 9.829 2.674 656 H432 PNS 84 H432 PNS 84 1.249 10.177 1.266 657 H44 PNS 84 H44 PNS 84 3.748 12.317 2.196 Start of MODEL 14 1 H MET 1 HT1 MET 1 -7.982 -9.663 -6.369 2 HA MET 1 HA MET 1 -6.142 -8.176 -6.295 3 HB2 MET 1 HB2 MET 1 -7.460 -7.277 -3.696 4 HB3 MET 1 HB1 MET 1 -5.752 -6.968 -4.023 5 HG2 MET 1 HG2 MET 1 -7.174 -5.034 -4.570 6 HG3 MET 1 HG1 MET 1 -6.319 -5.664 -5.980 7 HE1 MET 1 HE1 MET 1 -9.503 -4.731 -7.945 8 HE2 MET 1 HE2 MET 1 -7.741 -4.820 -7.953 9 HE3 MET 1 HE3 MET 1 -8.566 -3.761 -6.808 10 H GLN 2 HN GLN 2 -4.358 -9.259 -5.832 11 HA GLN 2 HA GLN 2 -4.454 -11.523 -3.941 12 HB2 GLN 2 HB2 GLN 2 -2.354 -12.250 -5.099 13 HB3 GLN 2 HB1 GLN 2 -3.761 -12.162 -6.149 14 HG2 GLN 2 HG2 GLN 2 -2.936 -10.358 -7.373 15 HG3 GLN 2 HG1 GLN 2 -1.938 -9.773 -6.043 16 HE21 GLN 2 HE21 GLN 2 -0.611 -12.191 -5.434 17 HE22 GLN 2 HE22 GLN 2 0.472 -12.562 -6.732 18 H HIS 3 HN HIS 3 -2.808 -8.473 -4.550 19 HA HIS 3 HA HIS 3 -0.503 -9.098 -2.965 20 HB2 HIS 3 HB2 HIS 3 -1.329 -6.546 -4.359 21 HB3 HIS 3 HB1 HIS 3 0.191 -6.744 -3.495 22 HD1 HIS 3 HD1 HIS 3 1.628 -8.958 -4.523 23 HD2 HIS 3 HD2 HIS 3 -0.979 -6.934 -7.027 24 HE1 HIS 3 HE1 HIS 3 2.381 -9.488 -6.845 25 HE2 HIS 3 HE2 HIS 3 0.796 -8.250 -8.338 26 H LEU 4 HN LEU 4 -3.590 -7.792 -2.209 27 HA LEU 4 HA LEU 4 -3.118 -5.918 -0.211 28 HB2 LEU 4 HB2 LEU 4 -5.304 -6.255 0.603 29 HB3 LEU 4 HB1 LEU 4 -5.407 -6.689 -1.091 30 HG LEU 4 HG LEU 4 -5.201 -8.718 1.176 31 HD11 LEU 4 HD11 LEU 4 -7.305 -7.472 1.381 32 HD12 LEU 4 HD12 LEU 4 -7.590 -9.145 0.906 33 HD13 LEU 4 HD13 LEU 4 -7.705 -7.858 -0.298 34 HD21 LEU 4 HD21 LEU 4 -5.905 -9.132 -1.749 35 HD22 LEU 4 HD22 LEU 4 -5.916 -10.376 -0.497 36 HD23 LEU 4 HD23 LEU 4 -4.398 -9.611 -0.961 37 H GLU 5 HN GLU 5 -2.799 -9.397 -0.020 38 HA GLU 5 HA GLU 5 -2.701 -9.758 2.770 39 HB2 GLU 5 HB2 GLU 5 -3.139 -11.614 1.237 40 HB3 GLU 5 HB1 GLU 5 -1.565 -11.419 0.477 41 HG2 GLU 5 HG2 GLU 5 -1.550 -13.363 1.940 42 HG3 GLU 5 HG1 GLU 5 -0.460 -12.133 2.570 43 H ALA 6 HN ALA 6 -0.117 -9.397 0.340 44 HA ALA 6 HA ALA 6 2.024 -9.530 2.241 45 HB1 ALA 6 HB1 ALA 6 3.485 -9.050 0.363 46 HB2 ALA 6 HB2 ALA 6 2.101 -8.604 -0.641 47 HB3 ALA 6 HB3 ALA 6 2.293 -10.271 -0.092 48 H VAL 7 HN VAL 7 0.057 -6.932 0.942 49 HA VAL 7 HA VAL 7 1.776 -4.759 1.644 50 HB VAL 7 HB VAL 7 -1.266 -4.805 1.260 51 HG11 VAL 7 HG11 VAL 7 -0.580 -2.918 2.715 52 HG12 VAL 7 HG12 VAL 7 -1.160 -2.352 1.158 53 HG13 VAL 7 HG13 VAL 7 0.573 -2.378 1.492 54 HG21 VAL 7 HG21 VAL 7 -0.780 -3.701 -0.919 55 HG22 VAL 7 HG22 VAL 7 -0.067 -5.314 -0.815 56 HG23 VAL 7 HG23 VAL 7 0.956 -3.889 -0.617 57 H ARG 8 HN ARG 8 -0.994 -6.341 3.306 58 HA ARG 8 HA ARG 8 -0.847 -4.679 5.661 59 HB2 ARG 8 HB2 ARG 8 -2.468 -6.189 6.697 60 HB3 ARG 8 HB1 ARG 8 -2.969 -5.757 5.069 61 HG2 ARG 8 HG2 ARG 8 -2.225 -7.965 4.250 62 HG3 ARG 8 HG1 ARG 8 -1.716 -8.402 5.893 63 HD2 ARG 8 HD2 ARG 8 -4.010 -8.273 6.678 64 HD3 ARG 8 HD1 ARG 8 -4.561 -7.624 5.133 65 HE ARG 8 HE ARG 8 -3.355 -10.133 4.711 66 HH11 ARG 8 HH11 ARG 8 -6.252 -8.803 6.222 67 HH12 ARG 8 HH12 ARG 8 -7.226 -10.184 5.843 68 HH21 ARG 8 HH21 ARG 8 -4.672 -11.958 4.273 69 HH22 ARG 8 HH22 ARG 8 -6.338 -11.960 4.765 70 H ASN 9 HN ASN 9 0.704 -7.622 4.605 71 HA ASN 9 HA ASN 9 1.771 -8.467 7.085 72 HB2 ASN 9 HB2 ASN 9 1.753 -9.888 5.050 73 HB3 ASN 9 HB1 ASN 9 2.882 -8.797 4.259 74 HD21 ASN 9 HD21 ASN 9 4.477 -10.289 3.955 75 HD22 ASN 9 HD22 ASN 9 5.372 -11.028 5.229 76 H ILE 10 HN ILE 10 3.022 -6.339 4.497 77 HA ILE 10 HA ILE 10 5.487 -5.638 5.628 78 HB ILE 10 HB ILE 10 3.724 -4.186 3.614 79 HG12 ILE 10 HG12 ILE 10 6.365 -5.692 3.254 80 HG13 ILE 10 HG11 ILE 10 4.770 -6.343 2.891 81 HG21 ILE 10 HG21 ILE 10 6.524 -3.374 4.495 82 HG22 ILE 10 HG22 ILE 10 5.039 -2.447 4.708 83 HG23 ILE 10 HG23 ILE 10 5.679 -2.714 3.088 84 HD11 ILE 10 HD11 ILE 10 6.053 -3.982 1.529 85 HD12 ILE 10 HD12 ILE 10 4.470 -4.670 1.151 86 HD13 ILE 10 HD13 ILE 10 5.930 -5.622 0.892 87 H LEU 11 HN LEU 11 2.437 -3.714 5.633 88 HA LEU 11 HA LEU 11 3.459 -1.709 7.374 89 HB2 LEU 11 HB2 LEU 11 0.664 -2.391 6.420 90 HB3 LEU 11 HB1 LEU 11 0.905 -1.171 7.660 91 HG LEU 11 HG LEU 11 2.430 0.066 6.030 92 HD11 LEU 11 HD11 LEU 11 2.970 -1.749 4.495 93 HD12 LEU 11 HD12 LEU 11 2.245 -0.392 3.638 94 HD13 LEU 11 HD13 LEU 11 1.284 -1.836 3.972 95 HD21 LEU 11 HD21 LEU 11 -0.454 -0.247 5.157 96 HD22 LEU 11 HD22 LEU 11 0.606 1.119 4.793 97 HD23 LEU 11 HD23 LEU 11 0.121 0.796 6.455 98 H GLY 12 HN GLY 12 1.784 -4.753 7.937 99 HA2 GLY 12 HA2 GLY 12 1.315 -4.497 10.708 100 HA3 GLY 12 HA1 GLY 12 1.500 -5.995 9.817 101 H ASP 13 HN ASP 13 4.202 -5.330 8.867 102 HA ASP 13 HA ASP 13 5.766 -6.198 11.122 103 HB2 ASP 13 HB2 ASP 13 6.237 -6.970 8.809 104 HB3 ASP 13 HB1 ASP 13 6.613 -5.325 8.323 105 H VAL 14 HN VAL 14 5.541 -3.219 9.191 106 HA VAL 14 HA VAL 14 7.711 -1.847 10.411 107 HB VAL 14 HB VAL 14 5.370 -0.653 8.842 108 HG11 VAL 14 HG11 VAL 14 6.867 1.277 8.400 109 HG12 VAL 14 HG12 VAL 14 8.110 0.549 9.425 110 HG13 VAL 14 HG13 VAL 14 6.577 1.068 10.128 111 HG21 VAL 14 HG21 VAL 14 6.861 -0.727 6.862 112 HG22 VAL 14 HG22 VAL 14 6.558 -2.341 7.502 113 HG23 VAL 14 HG23 VAL 14 8.095 -1.546 7.824 114 H LEU 15 HN LEU 15 4.161 -1.394 10.695 115 HA LEU 15 HA LEU 15 4.471 0.375 13.001 116 HB2 LEU 15 HB2 LEU 15 1.969 -0.605 11.591 117 HB3 LEU 15 HB1 LEU 15 1.973 0.531 12.921 118 HG LEU 15 HG LEU 15 1.704 1.953 11.109 119 HD11 LEU 15 HD11 LEU 15 3.745 3.203 10.737 120 HD12 LEU 15 HD12 LEU 15 4.720 1.871 11.357 121 HD13 LEU 15 HD13 LEU 15 3.602 2.730 12.423 122 HD21 LEU 15 HD21 LEU 15 3.643 0.301 9.459 123 HD22 LEU 15 HD22 LEU 15 2.804 1.760 8.914 124 HD23 LEU 15 HD23 LEU 15 1.885 0.312 9.320 125 H ASN 16 HN ASN 16 4.391 -2.938 12.591 126 HA ASN 16 HA ASN 16 4.455 -4.674 13.979 127 HB2 ASN 16 HB2 ASN 16 6.033 -3.140 15.104 128 HB3 ASN 16 HB1 ASN 16 4.714 -2.464 16.053 129 HD21 ASN 16 HD21 ASN 16 5.439 -2.972 17.958 130 HD22 ASN 16 HD22 ASN 16 5.689 -4.564 18.593 131 H LEU 17 HN LEU 17 1.994 -4.299 13.099 132 HA LEU 17 HA LEU 17 -0.017 -3.976 15.115 133 HB2 LEU 17 HB2 LEU 17 -0.157 -4.994 12.262 134 HB3 LEU 17 HB1 LEU 17 -1.559 -5.006 13.308 135 HG LEU 17 HG LEU 17 -1.878 -3.063 12.049 136 HD11 LEU 17 HD11 LEU 17 -0.473 -2.016 14.517 137 HD12 LEU 17 HD12 LEU 17 -2.140 -2.589 14.441 138 HD13 LEU 17 HD13 LEU 17 -1.660 -1.159 13.532 139 HD21 LEU 17 HD21 LEU 17 0.292 -2.988 10.932 140 HD22 LEU 17 HD22 LEU 17 1.031 -2.302 12.379 141 HD23 LEU 17 HD23 LEU 17 -0.196 -1.392 11.495 142 H GLY 18 HN GLY 18 1.680 -6.768 13.758 143 HA2 GLY 18 HA2 GLY 18 1.828 -8.945 14.434 144 HA3 GLY 18 HA1 GLY 18 1.019 -8.487 15.927 145 H GLU 19 HN GLU 19 -1.256 -8.681 16.062 146 HA GLU 19 HA GLU 19 -2.500 -10.563 14.164 147 HB2 GLU 19 HB2 GLU 19 -4.241 -10.851 15.889 148 HB3 GLU 19 HB1 GLU 19 -2.632 -11.121 16.557 149 HG2 GLU 19 HG2 GLU 19 -2.659 -8.939 17.639 150 HG3 GLU 19 HG1 GLU 19 -4.185 -8.533 16.855 151 H ARG 20 HN ARG 20 -2.588 -7.211 15.067 152 HA ARG 20 HA ARG 20 -5.265 -6.634 14.293 153 HB2 ARG 20 HB2 ARG 20 -3.603 -5.255 15.802 154 HB3 ARG 20 HB1 ARG 20 -3.084 -4.526 14.296 155 HG2 ARG 20 HG2 ARG 20 -6.002 -4.538 15.109 156 HG3 ARG 20 HG1 ARG 20 -4.891 -3.317 15.721 157 HD2 ARG 20 HD2 ARG 20 -4.574 -2.367 13.557 158 HD3 ARG 20 HD1 ARG 20 -5.245 -3.790 12.748 159 HE ARG 20 HE ARG 20 -7.419 -3.146 13.443 160 HH11 ARG 20 HH11 ARG 20 -5.072 -0.646 14.174 161 HH12 ARG 20 HH12 ARG 20 -6.275 0.596 14.313 162 HH21 ARG 20 HH21 ARG 20 -8.966 -1.536 13.664 163 HH22 ARG 20 HH22 ARG 20 -8.484 0.096 14.034 164 H LYS 21 HN LYS 21 -2.220 -6.836 12.514 165 HA LYS 21 HA LYS 21 -3.168 -5.748 10.051 166 HB2 LYS 21 HB2 LYS 21 -1.230 -6.758 8.987 167 HB3 LYS 21 HB1 LYS 21 -0.772 -5.908 10.460 168 HG2 LYS 21 HG2 LYS 21 -0.180 -7.836 11.570 169 HG3 LYS 21 HG1 LYS 21 -1.325 -8.847 10.685 170 HD2 LYS 21 HD2 LYS 21 0.246 -8.407 8.637 171 HD3 LYS 21 HD1 LYS 21 1.426 -7.895 9.845 172 HE2 LYS 21 HE2 LYS 21 0.028 -10.565 9.928 173 HE3 LYS 21 HE1 LYS 21 1.555 -10.317 9.085 174 HZ1 LYS 21 HZ1 LYS 21 1.846 -11.207 11.316 175 HZ2 LYS 21 HZ2 LYS 21 1.115 -9.837 11.976 176 HZ3 LYS 21 HZ3 LYS 21 2.583 -9.696 11.149 177 H HIS 22 HN HIS 22 -3.440 -8.880 11.561 178 HA HIS 22 HA HIS 22 -4.176 -10.363 9.199 179 HB2 HIS 22 HB2 HIS 22 -3.089 -11.447 11.129 180 HB3 HIS 22 HB1 HIS 22 -4.452 -11.036 12.157 181 HD1 HIS 22 HD1 HIS 22 -5.508 -13.217 12.711 182 HD2 HIS 22 HD2 HIS 22 -4.543 -12.993 8.679 183 HE1 HIS 22 HE1 HIS 22 -6.350 -15.345 11.694 184 HE2 HIS 22 HE2 HIS 22 -5.757 -15.190 9.255 185 H THR 23 HN THR 23 -5.881 -8.616 11.724 186 HA THR 23 HA THR 23 -8.488 -9.738 11.070 187 HB THR 23 HB THR 23 -7.854 -9.222 13.452 188 HG1 THR 23 HG1 THR 23 -10.170 -7.938 12.383 189 HG21 THR 23 HG21 THR 23 -7.984 -6.933 14.292 190 HG22 THR 23 HG22 THR 23 -8.276 -6.316 12.666 191 HG23 THR 23 HG23 THR 23 -6.717 -7.038 13.071 192 H LEU 24 HN LEU 24 -6.641 -6.919 10.180 193 HA LEU 24 HA LEU 24 -8.968 -5.490 9.149 194 HB2 LEU 24 HB2 LEU 24 -7.428 -3.757 8.362 195 HB3 LEU 24 HB1 LEU 24 -7.219 -4.113 10.059 196 HG LEU 24 HG LEU 24 -5.153 -5.531 9.304 197 HD11 LEU 24 HD11 LEU 24 -5.584 -5.538 6.891 198 HD12 LEU 24 HD12 LEU 24 -4.027 -4.804 7.266 199 HD13 LEU 24 HD13 LEU 24 -5.402 -3.780 6.841 200 HD21 LEU 24 HD21 LEU 24 -5.066 -2.495 9.130 201 HD22 LEU 24 HD22 LEU 24 -3.679 -3.556 9.402 202 HD23 LEU 24 HD23 LEU 24 -4.962 -3.462 10.605 203 H THR 25 HN THR 25 -9.443 -5.178 7.021 204 HA THR 25 HA THR 25 -8.485 -7.228 5.114 205 HB THR 25 HB THR 25 -10.852 -7.220 4.232 206 HG1 THR 25 HG1 THR 25 -12.288 -5.867 5.030 207 HG21 THR 25 HG21 THR 25 -10.239 -8.968 5.882 208 HG22 THR 25 HG22 THR 25 -11.919 -8.474 6.083 209 HG23 THR 25 HG23 THR 25 -10.688 -7.887 7.205 210 H ALA 26 HN ALA 26 -9.639 -6.464 2.812 211 HA ALA 26 HA ALA 26 -8.127 -4.251 1.887 212 HB1 ALA 26 HB1 ALA 26 -10.512 -5.609 0.577 213 HB2 ALA 26 HB2 ALA 26 -8.825 -6.094 0.414 214 HB3 ALA 26 HB3 ALA 26 -9.356 -4.543 -0.231 215 H SER 27 HN SER 27 -11.484 -4.576 2.903 216 HA SER 27 HA SER 27 -12.221 -1.855 2.205 217 HB2 SER 27 HB2 SER 27 -13.814 -4.000 3.657 218 HB3 SER 27 HB1 SER 27 -14.451 -2.482 3.011 219 HG SER 27 HG SER 27 -13.657 -3.244 0.928 220 H SER 28 HN SER 28 -10.390 -2.996 4.669 221 HA SER 28 HA SER 28 -11.470 -1.275 6.791 222 HB2 SER 28 HB2 SER 28 -10.733 -3.554 7.441 223 HB3 SER 28 HB1 SER 28 -9.108 -3.209 6.854 224 HG SER 28 HG SER 28 -10.453 -1.937 9.013 225 H VAL 29 HN VAL 29 -10.131 0.282 7.807 226 HA VAL 29 HA VAL 29 -8.694 1.940 5.892 227 HB VAL 29 HB VAL 29 -9.686 2.507 8.737 228 HG11 VAL 29 HG11 VAL 29 -9.397 4.910 8.215 229 HG12 VAL 29 HG12 VAL 29 -8.684 4.491 6.657 230 HG13 VAL 29 HG13 VAL 29 -7.860 4.043 8.150 231 HG21 VAL 29 HG21 VAL 29 -11.556 2.037 7.220 232 HG22 VAL 29 HG22 VAL 29 -10.954 3.223 6.061 233 HG23 VAL 29 HG23 VAL 29 -11.541 3.750 7.640 234 H LEU 30 HN LEU 30 -6.585 2.739 6.261 235 HA LEU 30 HA LEU 30 -4.976 1.442 8.388 236 HB2 LEU 30 HB2 LEU 30 -3.975 2.511 5.724 237 HB3 LEU 30 HB1 LEU 30 -3.016 1.682 6.941 238 HG LEU 30 HG LEU 30 -5.234 0.445 5.268 239 HD11 LEU 30 HD11 LEU 30 -3.467 -0.820 4.183 240 HD12 LEU 30 HD12 LEU 30 -2.253 -0.025 5.182 241 HD13 LEU 30 HD13 LEU 30 -3.182 0.915 4.012 242 HD21 LEU 30 HD21 LEU 30 -5.207 -0.616 7.478 243 HD22 LEU 30 HD22 LEU 30 -3.469 -0.890 7.352 244 HD23 LEU 30 HD23 LEU 30 -4.576 -1.721 6.259 245 H LEU 31 HN LEU 31 -4.561 4.310 6.290 246 HA LEU 31 HA LEU 31 -3.368 5.954 8.206 247 HB2 LEU 31 HB2 LEU 31 -3.516 6.159 5.601 248 HB3 LEU 31 HB1 LEU 31 -5.016 7.019 5.869 249 HG LEU 31 HG LEU 31 -2.341 7.922 7.005 250 HD11 LEU 31 HD11 LEU 31 -2.190 7.917 4.573 251 HD12 LEU 31 HD12 LEU 31 -2.215 9.561 5.203 252 HD13 LEU 31 HD13 LEU 31 -3.666 8.881 4.462 253 HD21 LEU 31 HD21 LEU 31 -4.259 8.864 8.218 254 HD22 LEU 31 HD22 LEU 31 -4.949 9.449 6.702 255 HD23 LEU 31 HD23 LEU 31 -3.424 10.112 7.298 256 H GLY 32 HN GLY 32 -4.251 6.638 10.046 257 HA2 GLY 32 HA2 GLY 32 -5.770 8.027 11.267 258 HA3 GLY 32 HA1 GLY 32 -7.069 7.531 10.193 259 H ASN 33 HN ASN 33 -6.487 4.725 10.225 260 HA ASN 33 HA ASN 33 -7.970 4.052 12.639 261 HB2 ASN 33 HB2 ASN 33 -8.599 3.187 10.375 262 HB3 ASN 33 HB1 ASN 33 -7.113 2.247 10.343 263 HD21 ASN 33 HD21 ASN 33 -8.225 0.287 10.183 264 HD22 ASN 33 HD22 ASN 33 -9.135 -0.382 11.484 265 H ILE 34 HN ILE 34 -4.803 3.405 11.262 266 HA ILE 34 HA ILE 34 -3.904 1.842 13.541 267 HB ILE 34 HB ILE 34 -2.214 2.912 11.226 268 HG12 ILE 34 HG12 ILE 34 -3.980 1.469 10.280 269 HG13 ILE 34 HG11 ILE 34 -2.428 0.652 10.176 270 HG21 ILE 34 HG21 ILE 34 -0.865 2.285 13.148 271 HG22 ILE 34 HG22 ILE 34 -0.634 1.092 11.869 272 HG23 ILE 34 HG23 ILE 34 -1.666 0.717 13.254 273 HD11 ILE 34 HD11 ILE 34 -4.200 -0.884 10.788 274 HD12 ILE 34 HD12 ILE 34 -4.601 0.091 12.198 275 HD13 ILE 34 HD13 ILE 34 -3.045 -0.735 12.110 276 HA PRO 35 HA PRO 35 -2.831 5.865 15.409 277 HB2 PRO 35 HB2 PRO 35 -2.365 5.028 17.942 278 HB3 PRO 35 HB1 PRO 35 -4.000 5.050 17.265 279 HG2 PRO 35 HG2 PRO 35 -2.120 2.722 17.594 280 HG3 PRO 35 HG1 PRO 35 -3.869 2.800 17.900 281 HD2 PRO 35 HD2 PRO 35 -2.719 1.774 15.576 282 HD3 PRO 35 HD1 PRO 35 -4.380 2.377 15.678 283 H GLU 36 HN GLU 36 -0.786 3.381 14.555 284 HA GLU 36 HA GLU 36 1.668 4.482 15.725 285 HB2 GLU 36 HB2 GLU 36 1.469 2.113 13.826 286 HB3 GLU 36 HB1 GLU 36 2.748 2.469 14.977 287 HG2 GLU 36 HG2 GLU 36 -0.058 1.525 15.627 288 HG3 GLU 36 HG1 GLU 36 1.411 0.558 15.694 289 H LEU 37 HN LEU 37 -0.259 4.755 12.928 290 HA LEU 37 HA LEU 37 1.880 5.063 10.971 291 HB2 LEU 37 HB2 LEU 37 -0.390 3.939 10.544 292 HB3 LEU 37 HB1 LEU 37 -1.106 5.530 10.589 293 HG LEU 37 HG LEU 37 -0.747 4.549 8.267 294 HD11 LEU 37 HD11 LEU 37 0.006 6.601 7.186 295 HD12 LEU 37 HD12 LEU 37 0.634 7.206 8.721 296 HD13 LEU 37 HD13 LEU 37 -1.103 6.958 8.511 297 HD21 LEU 37 HD21 LEU 37 1.421 3.470 8.646 298 HD22 LEU 37 HD22 LEU 37 2.195 5.047 8.828 299 HD23 LEU 37 HD23 LEU 37 1.494 4.580 7.277 300 H ASP 38 HN ASP 38 3.030 6.880 11.722 301 HA ASP 38 HA ASP 38 1.694 9.515 11.682 302 HB2 ASP 38 HB2 ASP 38 3.710 10.310 12.897 303 HB3 ASP 38 HB1 ASP 38 2.948 8.972 13.745 304 H SER 39 HN SER 39 3.816 11.107 11.172 305 HA SER 39 HA SER 39 4.135 11.496 8.495 306 HB2 SER 39 HB2 SER 39 4.655 13.140 10.275 307 HB3 SER 39 HB1 SER 39 6.065 12.188 10.753 308 H MET 40 HN MET 40 6.865 10.251 10.486 309 HA MET 40 HA MET 40 8.389 9.479 8.189 310 HB2 MET 40 HB2 MET 40 8.797 8.789 11.127 311 HB3 MET 40 HB1 MET 40 9.960 8.493 9.836 312 HG2 MET 40 HG2 MET 40 8.966 11.222 10.693 313 HG3 MET 40 HG1 MET 40 10.521 10.509 11.119 314 HE1 MET 40 HE1 MET 40 11.410 9.075 8.394 315 HE2 MET 40 HE2 MET 40 12.490 10.075 9.369 316 HE3 MET 40 HE3 MET 40 12.341 10.375 7.643 317 H ALA 41 HN ALA 41 5.983 7.901 10.077 318 HA ALA 41 HA ALA 41 6.526 5.198 9.467 319 HB1 ALA 41 HB1 ALA 41 4.193 4.774 10.061 320 HB2 ALA 41 HB2 ALA 41 3.855 6.503 10.037 321 HB3 ALA 41 HB3 ALA 41 4.970 5.840 11.230 322 H VAL 42 HN VAL 42 4.515 7.669 7.729 323 HA VAL 42 HA VAL 42 3.626 5.939 5.672 324 HB VAL 42 HB VAL 42 2.958 7.789 4.338 325 HG11 VAL 42 HG11 VAL 42 1.743 9.292 5.860 326 HG12 VAL 42 HG12 VAL 42 2.723 8.714 7.208 327 HG13 VAL 42 HG13 VAL 42 1.644 7.604 6.366 328 HG21 VAL 42 HG21 VAL 42 5.063 9.073 4.192 329 HG22 VAL 42 HG22 VAL 42 4.838 9.665 5.829 330 HG23 VAL 42 HG23 VAL 42 3.707 10.132 4.568 331 H VAL 43 HN VAL 43 6.560 7.817 6.094 332 HA VAL 43 HA VAL 43 7.602 7.530 3.440 333 HB VAL 43 HB VAL 43 9.309 7.859 5.946 334 HG11 VAL 43 HG11 VAL 43 10.770 9.223 4.499 335 HG12 VAL 43 HG12 VAL 43 9.704 8.928 3.121 336 HG13 VAL 43 HG13 VAL 43 10.579 7.590 3.859 337 HG21 VAL 43 HG21 VAL 43 7.417 9.374 6.134 338 HG22 VAL 43 HG22 VAL 43 7.705 10.006 4.507 339 HG23 VAL 43 HG23 VAL 43 8.887 10.281 5.798 340 H ASN 44 HN ASN 44 8.196 5.755 6.422 341 HA ASN 44 HA ASN 44 10.094 3.893 5.535 342 HB2 ASN 44 HB2 ASN 44 8.177 4.035 7.871 343 HB3 ASN 44 HB1 ASN 44 9.127 2.565 7.626 344 HD21 ASN 44 HD21 ASN 44 9.171 4.697 9.758 345 HD22 ASN 44 HD22 ASN 44 10.825 5.185 9.848 346 H VAL 45 HN VAL 45 6.540 3.719 5.553 347 HA VAL 45 HA VAL 45 6.511 0.932 4.788 348 HB VAL 45 HB VAL 45 4.045 1.170 4.561 349 HG11 VAL 45 HG11 VAL 45 5.206 2.226 7.163 350 HG12 VAL 45 HG12 VAL 45 5.036 0.529 6.705 351 HG13 VAL 45 HG13 VAL 45 3.601 1.517 6.966 352 HG21 VAL 45 HG21 VAL 45 2.926 3.242 5.299 353 HG22 VAL 45 HG22 VAL 45 3.880 3.497 3.835 354 HG23 VAL 45 HG23 VAL 45 4.498 4.048 5.391 355 H ILE 46 HN ILE 46 6.268 4.025 3.003 356 HA ILE 46 HA ILE 46 5.532 2.913 0.478 357 HB ILE 46 HB ILE 46 7.355 5.329 0.963 358 HG12 ILE 46 HG12 ILE 46 4.379 5.330 0.291 359 HG13 ILE 46 HG11 ILE 46 5.004 5.487 1.928 360 HG21 ILE 46 HG21 ILE 46 7.622 4.451 -1.340 361 HG22 ILE 46 HG22 ILE 46 6.807 6.011 -1.364 362 HG23 ILE 46 HG23 ILE 46 5.875 4.531 -1.589 363 HD11 ILE 46 HD11 ILE 46 5.500 7.399 -0.355 364 HD12 ILE 46 HD12 ILE 46 6.126 7.566 1.288 365 HD13 ILE 46 HD13 ILE 46 4.392 7.628 0.996 366 H THR 47 HN THR 47 8.678 3.660 1.923 367 HA THR 47 HA THR 47 10.362 2.665 -0.095 368 HB THR 47 HB THR 47 10.907 2.896 2.895 369 HG1 THR 47 HG1 THR 47 10.309 4.765 1.221 370 HG21 THR 47 HG21 THR 47 12.648 1.504 1.810 371 HG22 THR 47 HG22 THR 47 13.306 3.083 2.260 372 HG23 THR 47 HG23 THR 47 12.886 2.740 0.580 373 H ALA 48 HN ALA 48 8.987 1.072 2.759 374 HA ALA 48 HA ALA 48 10.216 -1.433 2.586 375 HB1 ALA 48 HB1 ALA 48 8.377 -2.257 3.993 376 HB2 ALA 48 HB2 ALA 48 7.447 -0.794 3.655 377 HB3 ALA 48 HB3 ALA 48 8.957 -0.692 4.563 378 H LEU 49 HN LEU 49 7.064 -0.368 1.188 379 HA LEU 49 HA LEU 49 6.334 -2.671 -0.206 380 HB2 LEU 49 HB2 LEU 49 5.712 0.247 -0.493 381 HB3 LEU 49 HB1 LEU 49 5.420 -0.710 -1.928 382 HG LEU 49 HG LEU 49 3.361 -0.412 -0.623 383 HD11 LEU 49 HD11 LEU 49 3.588 -2.442 -1.964 384 HD12 LEU 49 HD12 LEU 49 2.614 -2.738 -0.528 385 HD13 LEU 49 HD13 LEU 49 4.288 -3.297 -0.585 386 HD21 LEU 49 HD21 LEU 49 4.273 -0.207 1.624 387 HD22 LEU 49 HD22 LEU 49 4.748 -1.905 1.621 388 HD23 LEU 49 HD23 LEU 49 3.039 -1.466 1.572 389 H GLU 50 HN GLU 50 8.420 0.013 -1.274 390 HA GLU 50 HA GLU 50 8.992 -0.728 -3.894 391 HB2 GLU 50 HB2 GLU 50 11.060 0.537 -2.038 392 HB3 GLU 50 HB1 GLU 50 10.960 0.699 -3.783 393 HG2 GLU 50 HG2 GLU 50 8.911 1.803 -1.861 394 HG3 GLU 50 HG1 GLU 50 10.268 2.723 -2.477 395 H GLU 51 HN GLU 51 10.659 -1.673 -0.894 396 HA GLU 51 HA GLU 51 12.782 -3.096 -2.175 397 HB2 GLU 51 HB2 GLU 51 11.828 -3.205 0.714 398 HB3 GLU 51 HB1 GLU 51 13.361 -3.846 0.126 399 HG2 GLU 51 HG2 GLU 51 12.520 -0.934 0.130 400 HG3 GLU 51 HG1 GLU 51 13.678 -1.680 1.221 401 H TYR 52 HN TYR 52 9.860 -4.248 -0.436 402 HA TYR 52 HA TYR 52 10.529 -7.010 -0.712 403 HB2 TYR 52 HB2 TYR 52 7.905 -5.699 0.078 404 HB3 TYR 52 HB1 TYR 52 8.179 -7.442 0.126 405 HD1 TYR 52 HD1 TYR 52 10.345 -8.202 1.512 406 HD2 TYR 52 HD2 TYR 52 8.343 -4.473 2.079 407 HE1 TYR 52 HE1 TYR 52 11.326 -8.008 3.751 408 HE2 TYR 52 HE2 TYR 52 9.324 -4.284 4.313 409 HH TYR 52 HH TYR 52 10.230 -5.800 6.058 410 H PHE 53 HN PHE 53 8.496 -4.850 -2.680 411 HA PHE 53 HA PHE 53 7.787 -7.098 -4.465 412 HB2 PHE 53 HB2 PHE 53 6.786 -4.249 -4.306 413 HB3 PHE 53 HB1 PHE 53 6.351 -5.326 -5.624 414 HD1 PHE 53 HD2 PHE 53 6.074 -4.849 -1.918 415 HD2 PHE 53 HD1 PHE 53 4.568 -6.894 -5.360 416 HE1 PHE 53 HE2 PHE 53 4.158 -5.676 -0.610 417 HE2 PHE 53 HE1 PHE 53 2.672 -7.710 -4.038 418 HZ PHE 53 HZ PHE 53 2.458 -7.100 -1.667 419 H ASP 54 HN ASP 54 10.215 -4.721 -4.261 420 HA ASP 54 HA ASP 54 12.009 -4.242 -5.557 421 HB2 ASP 54 HB2 ASP 54 11.006 -6.610 -7.201 422 HB3 ASP 54 HB1 ASP 54 12.519 -5.771 -7.555 423 H PHE 55 HN PHE 55 9.708 -2.664 -5.933 424 HA PHE 55 HA PHE 55 10.001 -1.810 -8.757 425 HB2 PHE 55 HB2 PHE 55 7.659 -1.617 -9.109 426 HB3 PHE 55 HB1 PHE 55 7.837 -3.179 -8.325 427 HD1 PHE 55 HD1 PHE 55 7.793 -2.817 -5.534 428 HD2 PHE 55 HD2 PHE 55 5.741 -0.476 -8.447 429 HE1 PHE 55 HE1 PHE 55 6.150 -2.135 -3.840 430 HE2 PHE 55 HE2 PHE 55 4.104 0.191 -6.750 431 HZ PHE 55 HZ PHE 55 4.305 -0.629 -4.441 432 H SER 56 HN SER 56 8.690 0.445 -8.934 433 HA SER 56 HA SER 56 9.051 2.039 -6.466 434 HB2 SER 56 HB2 SER 56 10.949 2.453 -8.055 435 HB3 SER 56 HB1 SER 56 9.792 3.009 -9.263 436 HG SER 56 HG SER 56 9.781 4.155 -6.691 437 H VAL 57 HN VAL 57 7.202 3.024 -5.867 438 HA VAL 57 HA VAL 57 4.986 3.505 -7.699 439 HB VAL 57 HB VAL 57 5.248 4.603 -4.843 440 HG11 VAL 57 HG11 VAL 57 2.791 3.984 -6.532 441 HG12 VAL 57 HG12 VAL 57 3.430 5.584 -6.142 442 HG13 VAL 57 HG13 VAL 57 2.770 4.570 -4.861 443 HG21 VAL 57 HG21 VAL 57 4.087 1.902 -5.604 444 HG22 VAL 57 HG22 VAL 57 4.054 2.629 -3.994 445 HG23 VAL 57 HG23 VAL 57 5.591 2.169 -4.727 446 H ASP 58 HN ASP 58 4.611 5.467 -8.764 447 HA ASP 58 HA ASP 58 6.789 7.372 -8.908 448 HB2 ASP 58 HB2 ASP 58 5.555 6.606 -10.939 449 HB3 ASP 58 HB1 ASP 58 4.090 7.364 -10.337 450 H ASP 59 HN ASP 59 6.660 9.614 -8.460 451 HA ASP 59 HA ASP 59 5.541 10.376 -6.042 452 HB2 ASP 59 HB2 ASP 59 7.475 11.499 -7.102 453 HB3 ASP 59 HB1 ASP 59 6.429 12.174 -8.342 454 H ASP 60 HN ASP 60 4.280 10.958 -9.308 455 HA ASP 60 HA ASP 60 2.146 12.707 -8.537 456 HB2 ASP 60 HB2 ASP 60 2.662 11.208 -11.136 457 HB3 ASP 60 HB1 ASP 60 1.363 12.380 -10.928 458 H GLU 61 HN GLU 61 2.412 9.302 -8.369 459 HA GLU 61 HA GLU 61 -0.541 9.043 -8.130 460 HB2 GLU 61 HB2 GLU 61 -0.327 6.652 -8.461 461 HB3 GLU 61 HB1 GLU 61 0.486 7.495 -9.772 462 HG2 GLU 61 HG2 GLU 61 2.665 7.051 -8.694 463 HG3 GLU 61 HG1 GLU 61 1.841 6.188 -7.400 464 H ILE 62 HN ILE 62 2.377 9.135 -6.305 465 HA ILE 62 HA ILE 62 1.376 7.834 -3.937 466 HB ILE 62 HB ILE 62 3.749 9.724 -4.319 467 HG12 ILE 62 HG12 ILE 62 3.586 6.700 -3.907 468 HG13 ILE 62 HG11 ILE 62 4.040 7.524 -5.391 469 HG21 ILE 62 HG21 ILE 62 3.003 8.179 -1.803 470 HG22 ILE 62 HG22 ILE 62 2.936 9.929 -2.009 471 HG23 ILE 62 HG23 ILE 62 4.490 9.106 -2.046 472 HD11 ILE 62 HD11 ILE 62 5.952 6.585 -4.319 473 HD12 ILE 62 HD12 ILE 62 5.606 7.445 -2.816 474 HD13 ILE 62 HD13 ILE 62 6.078 8.342 -4.267 475 H SER 63 HN SER 63 -0.461 8.644 -3.099 476 HA SER 63 HA SER 63 -0.512 11.442 -2.140 477 HB2 SER 63 HB2 SER 63 -2.194 11.104 -3.936 478 HB3 SER 63 HB1 SER 63 -2.852 9.708 -3.083 479 HG SER 63 HG SER 63 -3.147 12.428 -2.572 480 H ALA 64 HN ALA 64 -1.941 11.641 -0.132 481 HA ALA 64 HA ALA 64 -1.512 9.604 1.852 482 HB1 ALA 64 HB1 ALA 64 -2.969 10.980 3.293 483 HB2 ALA 64 HB2 ALA 64 -3.437 11.961 1.900 484 HB3 ALA 64 HB3 ALA 64 -1.769 11.979 2.471 485 H GLN 65 HN GLN 65 -3.992 10.293 -0.492 486 HA GLN 65 HA GLN 65 -6.072 8.570 0.468 487 HB2 GLN 65 HB2 GLN 65 -5.557 9.570 -2.368 488 HB3 GLN 65 HB1 GLN 65 -7.061 8.867 -1.786 489 HG2 GLN 65 HG2 GLN 65 -5.843 11.516 -0.984 490 HG3 GLN 65 HG1 GLN 65 -7.319 11.258 -1.907 491 HE21 GLN 65 HE21 GLN 65 -5.889 11.283 1.253 492 HE22 GLN 65 HE22 GLN 65 -7.354 11.129 2.151 493 H THR 66 HN THR 66 -3.030 7.894 -0.964 494 HA THR 66 HA THR 66 -3.644 5.385 -2.199 495 HB THR 66 HB THR 66 -0.994 6.432 -1.088 496 HG1 THR 66 HG1 THR 66 -2.287 6.711 -3.599 497 HG21 THR 66 HG21 THR 66 0.086 4.851 -2.680 498 HG22 THR 66 HG22 THR 66 -1.498 4.202 -3.099 499 HG23 THR 66 HG23 THR 66 -0.873 4.002 -1.465 500 H PHE 67 HN PHE 67 -2.722 6.459 1.084 501 HA PHE 67 HA PHE 67 -2.613 3.690 2.061 502 HB2 PHE 67 HB2 PHE 67 -1.634 6.295 3.264 503 HB3 PHE 67 HB1 PHE 67 -1.622 4.776 4.151 504 HD1 PHE 67 HD2 PHE 67 -0.217 6.521 1.164 505 HD2 PHE 67 HD1 PHE 67 0.058 3.117 3.744 506 HE1 PHE 67 HE2 PHE 67 1.911 5.887 0.115 507 HE2 PHE 67 HE1 PHE 67 2.179 2.496 2.683 508 HZ PHE 67 HZ PHE 67 3.103 3.867 0.864 509 H GLU 68 HN GLU 68 -5.106 5.592 1.618 510 HA GLU 68 HA GLU 68 -6.247 6.060 4.157 511 HB2 GLU 68 HB2 GLU 68 -8.404 6.382 3.010 512 HB3 GLU 68 HB1 GLU 68 -7.104 7.215 2.169 513 HG2 GLU 68 HG2 GLU 68 -7.078 5.552 0.416 514 HG3 GLU 68 HG1 GLU 68 -8.198 4.529 1.312 515 H THR 69 HN THR 69 -6.655 3.308 1.917 516 HA THR 69 HA THR 69 -7.436 1.569 4.179 517 HB THR 69 HB THR 69 -9.056 0.377 2.641 518 HG1 THR 69 HG1 THR 69 -8.445 2.584 0.944 519 HG21 THR 69 HG21 THR 69 -10.904 1.991 2.757 520 HG22 THR 69 HG22 THR 69 -9.767 3.304 3.060 521 HG23 THR 69 HG23 THR 69 -9.971 2.021 4.257 522 H LEU 70 HN LEU 70 -7.046 -0.706 3.779 523 HA LEU 70 HA LEU 70 -4.568 -1.331 2.611 524 HB2 LEU 70 HB2 LEU 70 -5.635 -2.659 4.406 525 HB3 LEU 70 HB1 LEU 70 -6.882 -3.186 3.286 526 HG LEU 70 HG LEU 70 -5.071 -4.317 1.912 527 HD11 LEU 70 HD11 LEU 70 -3.151 -3.008 2.646 528 HD12 LEU 70 HD12 LEU 70 -2.876 -4.719 2.946 529 HD13 LEU 70 HD13 LEU 70 -3.304 -3.653 4.285 530 HD21 LEU 70 HD21 LEU 70 -6.446 -5.653 3.432 531 HD22 LEU 70 HD22 LEU 70 -5.362 -5.292 4.775 532 HD23 LEU 70 HD23 LEU 70 -4.789 -6.261 3.415 533 H GLY 71 HN GLY 71 -7.829 -1.463 1.373 534 HA2 GLY 71 HA2 GLY 71 -7.499 -2.952 -0.987 535 HA3 GLY 71 HA1 GLY 71 -8.747 -1.747 -0.697 536 H SER 72 HN SER 72 -7.128 0.524 -0.318 537 HA SER 72 HA SER 72 -6.735 1.420 -2.955 538 HB2 SER 72 HB2 SER 72 -5.648 2.630 -0.377 539 HB3 SER 72 HB1 SER 72 -5.784 3.459 -1.931 540 HG SER 72 HG SER 72 -8.113 2.786 -1.730 541 H LEU 73 HN LEU 73 -4.268 0.525 -0.445 542 HA LEU 73 HA LEU 73 -1.969 0.848 -2.047 543 HB2 LEU 73 HB2 LEU 73 -2.448 -1.090 0.248 544 HB3 LEU 73 HB1 LEU 73 -0.904 -0.971 -0.574 545 HG LEU 73 HG LEU 73 -0.652 0.255 1.418 546 HD11 LEU 73 HD11 LEU 73 0.312 1.379 -0.522 547 HD12 LEU 73 HD12 LEU 73 -0.210 2.540 0.691 548 HD13 LEU 73 HD13 LEU 73 -1.179 2.292 -0.760 549 HD21 LEU 73 HD21 LEU 73 -2.166 1.954 2.228 550 HD22 LEU 73 HD22 LEU 73 -3.037 0.443 1.985 551 HD23 LEU 73 HD23 LEU 73 -3.208 1.756 0.818 552 H ALA 74 HN ALA 74 -4.065 -1.974 -1.543 553 HA ALA 74 HA ALA 74 -2.663 -3.885 -2.993 554 HB1 ALA 74 HB1 ALA 74 -4.707 -5.172 -3.069 555 HB2 ALA 74 HB2 ALA 74 -5.674 -3.739 -2.687 556 HB3 ALA 74 HB3 ALA 74 -4.558 -4.396 -1.491 557 H LEU 75 HN LEU 75 -5.121 -1.537 -4.069 558 HA LEU 75 HA LEU 75 -5.421 -2.296 -6.754 559 HB2 LEU 75 HB2 LEU 75 -5.973 0.162 -5.150 560 HB3 LEU 75 HB1 LEU 75 -5.683 0.499 -6.842 561 HG LEU 75 HG LEU 75 -8.073 0.317 -6.428 562 HD11 LEU 75 HD11 LEU 75 -8.681 -1.324 -8.139 563 HD12 LEU 75 HD12 LEU 75 -7.078 -2.055 -8.027 564 HD13 LEU 75 HD13 LEU 75 -7.255 -0.400 -8.617 565 HD21 LEU 75 HD21 LEU 75 -8.075 -1.130 -4.466 566 HD22 LEU 75 HD22 LEU 75 -7.540 -2.500 -5.441 567 HD23 LEU 75 HD23 LEU 75 -9.131 -1.790 -5.715 568 H PHE 76 HN PHE 76 -3.203 0.109 -5.302 569 HA PHE 76 HA PHE 76 -1.862 0.895 -7.621 570 HB2 PHE 76 HB2 PHE 76 -1.064 0.898 -4.703 571 HB3 PHE 76 HB1 PHE 76 0.118 1.369 -5.921 572 HD1 PHE 76 HD2 PHE 76 -3.312 2.193 -4.675 573 HD2 PHE 76 HD1 PHE 76 0.105 3.567 -6.825 574 HE1 PHE 76 HE2 PHE 76 -4.279 4.438 -4.760 575 HE2 PHE 76 HE1 PHE 76 -0.871 5.812 -6.925 576 HZ PHE 76 HZ PHE 76 -3.061 6.261 -5.891 577 H VAL 77 HN VAL 77 -0.781 -1.585 -5.272 578 HA VAL 77 HA VAL 77 1.471 -2.378 -6.822 579 HB VAL 77 HB VAL 77 1.687 -4.293 -5.210 580 HG11 VAL 77 HG11 VAL 77 2.207 -2.884 -3.244 581 HG12 VAL 77 HG12 VAL 77 1.282 -1.558 -3.945 582 HG13 VAL 77 HG13 VAL 77 2.753 -2.119 -4.738 583 HG21 VAL 77 HG21 VAL 77 0.204 -4.407 -3.263 584 HG22 VAL 77 HG22 VAL 77 -0.703 -4.659 -4.754 585 HG23 VAL 77 HG23 VAL 77 -0.790 -3.109 -3.924 586 H GLU 78 HN GLU 78 -1.909 -3.485 -6.957 587 HA GLU 78 HA GLU 78 -1.512 -5.857 -8.480 588 HB2 GLU 78 HB2 GLU 78 -3.763 -3.809 -8.766 589 HB3 GLU 78 HB1 GLU 78 -3.743 -5.372 -9.566 590 HG2 GLU 78 HG2 GLU 78 -3.952 -4.860 -6.609 591 HG3 GLU 78 HG1 GLU 78 -5.237 -5.383 -7.675 592 H HIS 79 HN HIS 79 -1.881 -2.428 -9.367 593 HA HIS 79 HA HIS 79 -1.828 -2.795 -12.190 594 HB2 HIS 79 HB2 HIS 79 -1.246 -0.280 -10.575 595 HB3 HIS 79 HB1 HIS 79 -1.628 -0.330 -12.297 596 HD1 HIS 79 HD1 HIS 79 -3.367 1.316 -10.392 597 HD2 HIS 79 HD2 HIS 79 -4.209 -2.624 -11.387 598 HE1 HIS 79 HE1 HIS 79 -5.821 1.031 -9.993 599 HE2 HIS 79 HE2 HIS 79 -6.342 -1.288 -10.810 600 H LYS 80 HN LYS 80 0.690 -2.001 -9.840 601 HA LYS 80 HA LYS 80 2.636 -1.193 -11.781 602 HB2 LYS 80 HB2 LYS 80 3.180 -1.930 -8.876 603 HB3 LYS 80 HB1 LYS 80 4.199 -0.961 -9.930 604 HG2 LYS 80 HG2 LYS 80 1.562 -0.199 -8.672 605 HG3 LYS 80 HG1 LYS 80 3.138 0.533 -8.413 606 HD2 LYS 80 HD2 LYS 80 1.512 0.682 -10.976 607 HD3 LYS 80 HD1 LYS 80 1.645 1.955 -9.768 608 HE2 LYS 80 HE2 LYS 80 4.054 2.143 -10.224 609 HE3 LYS 80 HE1 LYS 80 3.930 0.866 -11.436 610 HZ1 LYS 80 HZ1 LYS 80 2.412 2.261 -12.698 611 HZ2 LYS 80 HZ2 LYS 80 3.886 3.057 -12.446 612 HZ3 LYS 80 HZ3 LYS 80 2.526 3.486 -11.531 613 H LEU 81 HN LEU 81 2.161 -4.153 -9.866 614 HA LEU 81 HA LEU 81 4.545 -5.407 -10.906 615 HB2 LEU 81 HB2 LEU 81 2.357 -6.381 -9.052 616 HB3 LEU 81 HB1 LEU 81 3.585 -7.475 -9.663 617 HG LEU 81 HG LEU 81 4.231 -6.787 -7.435 618 HD11 LEU 81 HD11 LEU 81 6.000 -5.341 -9.432 619 HD12 LEU 81 HD12 LEU 81 6.089 -7.048 -8.991 620 HD13 LEU 81 HD13 LEU 81 6.453 -5.812 -7.790 621 HD21 LEU 81 HD21 LEU 81 4.034 -3.888 -8.320 622 HD22 LEU 81 HD22 LEU 81 4.638 -4.452 -6.758 623 HD23 LEU 81 HD23 LEU 81 2.954 -4.720 -7.199 624 H SER 82 HN SER 82 1.271 -5.165 -12.006 625 HA SER 82 HA SER 82 1.462 -7.483 -13.797 626 HB2 SER 82 HB2 SER 82 -0.681 -5.332 -13.565 627 HB3 SER 82 HB1 SER 82 -0.778 -6.752 -14.607 628 HG SER 82 HG SER 82 -1.493 -6.561 -12.091 629 H HIS 83 HN HIS 83 1.565 -3.944 -13.986 630 HA HIS 83 HA HIS 83 2.179 -4.064 -16.894 631 HB2 HIS 83 HB2 HIS 83 0.644 -1.876 -15.400 632 HB3 HIS 83 HB1 HIS 83 1.031 -1.865 -17.120 633 HD1 HIS 83 HD1 HIS 83 -1.369 -3.262 -14.651 634 HD2 HIS 83 HD2 HIS 83 -0.501 -3.712 -18.690 635 HE1 HIS 83 HE1 HIS 83 -3.293 -4.551 -15.625 636 HE2 HIS 83 HE2 HIS 83 -2.677 -4.924 -18.030 637 H282 PNS 84 H282 PNS 84 9.452 15.011 7.095 638 H281 PNS 84 H281 PNS 84 8.911 13.540 7.900 639 H303 PNS 84 H303 PNS 84 6.019 13.650 6.369 640 H302 PNS 84 H302 PNS 84 6.529 12.501 5.138 641 H301 PNS 84 H301 PNS 84 6.952 12.212 6.821 642 H313 PNS 84 H313 PNS 84 10.127 13.332 5.103 643 H312 PNS 84 H312 PNS 84 9.446 12.058 6.123 644 H311 PNS 84 H311 PNS 84 8.861 12.276 4.473 645 H32 PNS 84 H32 PNS 84 7.411 15.791 5.322 646 H33 PNS 84 H33 PNS 84 8.996 16.094 3.615 647 H36 PNS 84 H36 PNS 84 8.396 13.195 3.017 648 H372 PNS 84 H372 PNS 84 6.394 13.740 1.084 649 H371 PNS 84 H371 PNS 84 7.382 12.272 1.192 650 H382 PNS 84 H382 PNS 84 5.869 11.510 3.096 651 H381 PNS 84 H381 PNS 84 4.820 12.870 2.706 652 H41 PNS 84 H41 PNS 84 3.450 10.814 2.736 653 H422 PNS 84 H422 PNS 84 2.253 10.404 0.302 654 H421 PNS 84 H421 PNS 84 3.457 9.117 0.425 655 H431 PNS 84 H431 PNS 84 2.455 8.358 2.509 656 H432 PNS 84 H432 PNS 84 1.267 8.367 1.200 657 H44 PNS 84 H44 PNS 84 1.290 11.247 2.843 Start of MODEL 15 1 H MET 1 HT1 MET 1 -8.722 -7.487 -6.277 2 HA MET 1 HA MET 1 -6.348 -7.819 -6.326 3 HB2 MET 1 HB2 MET 1 -7.547 -6.742 -3.744 4 HB3 MET 1 HB1 MET 1 -5.819 -6.647 -4.063 5 HG2 MET 1 HG2 MET 1 -6.978 -4.555 -4.593 6 HG3 MET 1 HG1 MET 1 -6.215 -5.269 -6.008 7 HE1 MET 1 HE1 MET 1 -10.780 -5.172 -5.254 8 HE2 MET 1 HE2 MET 1 -9.588 -4.356 -4.239 9 HE3 MET 1 HE3 MET 1 -9.703 -6.116 -4.229 10 H GLN 2 HN GLN 2 -4.674 -9.075 -5.838 11 HA GLN 2 HA GLN 2 -4.932 -11.266 -3.880 12 HB2 GLN 2 HB2 GLN 2 -2.864 -12.149 -5.061 13 HB3 GLN 2 HB1 GLN 2 -4.303 -12.039 -6.065 14 HG2 GLN 2 HG2 GLN 2 -3.455 -10.261 -7.346 15 HG3 GLN 2 HG1 GLN 2 -2.322 -9.762 -6.094 16 HE21 GLN 2 HE21 GLN 2 -1.168 -12.281 -5.583 17 HE22 GLN 2 HE22 GLN 2 -0.204 -12.720 -6.956 18 H HIS 3 HN HIS 3 -3.068 -8.395 -4.616 19 HA HIS 3 HA HIS 3 -0.785 -9.043 -3.034 20 HB2 HIS 3 HB2 HIS 3 -1.580 -6.511 -4.489 21 HB3 HIS 3 HB1 HIS 3 -0.062 -6.674 -3.613 22 HD1 HIS 3 HD1 HIS 3 0.667 -9.553 -4.614 23 HD2 HIS 3 HD2 HIS 3 -0.544 -6.403 -7.033 24 HE1 HIS 3 HE1 HIS 3 1.650 -10.021 -6.872 25 HE2 HIS 3 HE2 HIS 3 0.757 -8.196 -8.355 26 H LEU 4 HN LEU 4 -3.802 -7.704 -2.233 27 HA LEU 4 HA LEU 4 -3.236 -5.758 -0.313 28 HB2 LEU 4 HB2 LEU 4 -5.431 -6.002 0.531 29 HB3 LEU 4 HB1 LEU 4 -5.548 -6.413 -1.168 30 HG LEU 4 HG LEU 4 -5.528 -8.418 1.127 31 HD11 LEU 4 HD11 LEU 4 -7.592 -7.119 1.120 32 HD12 LEU 4 HD12 LEU 4 -7.901 -8.782 0.629 33 HD13 LEU 4 HD13 LEU 4 -7.853 -7.499 -0.585 34 HD21 LEU 4 HD21 LEU 4 -4.589 -9.448 -0.874 35 HD22 LEU 4 HD22 LEU 4 -5.968 -8.907 -1.839 36 HD23 LEU 4 HD23 LEU 4 -6.196 -10.102 -0.560 37 H GLU 5 HN GLU 5 -2.980 -9.219 -0.077 38 HA GLU 5 HA GLU 5 -2.840 -9.486 2.743 39 HB2 GLU 5 HB2 GLU 5 -3.447 -11.368 1.298 40 HB3 GLU 5 HB1 GLU 5 -1.890 -11.293 0.483 41 HG2 GLU 5 HG2 GLU 5 -0.763 -11.947 2.595 42 HG3 GLU 5 HG1 GLU 5 -2.337 -12.056 3.389 43 H ALA 6 HN ALA 6 -0.372 -9.276 0.174 44 HA ALA 6 HA ALA 6 1.891 -9.418 1.901 45 HB1 ALA 6 HB1 ALA 6 3.196 -8.768 -0.050 46 HB2 ALA 6 HB2 ALA 6 1.722 -8.322 -0.918 47 HB3 ALA 6 HB3 ALA 6 2.015 -10.008 -0.480 48 H VAL 7 HN VAL 7 -0.106 -6.750 0.742 49 HA VAL 7 HA VAL 7 1.618 -4.613 1.479 50 HB VAL 7 HB VAL 7 -1.433 -4.605 1.158 51 HG11 VAL 7 HG11 VAL 7 -1.226 -2.139 0.991 52 HG12 VAL 7 HG12 VAL 7 0.502 -2.241 1.323 53 HG13 VAL 7 HG13 VAL 7 -0.668 -2.715 2.557 54 HG21 VAL 7 HG21 VAL 7 -0.998 -3.546 -1.056 55 HG22 VAL 7 HG22 VAL 7 -0.328 -5.178 -0.958 56 HG23 VAL 7 HG23 VAL 7 0.741 -3.779 -0.823 57 H ARG 8 HN ARG 8 -1.121 -6.241 3.118 58 HA ARG 8 HA ARG 8 -1.062 -4.610 5.479 59 HB2 ARG 8 HB2 ARG 8 -2.676 -6.114 6.442 60 HB3 ARG 8 HB1 ARG 8 -3.098 -5.875 4.753 61 HG2 ARG 8 HG2 ARG 8 -2.059 -8.081 4.227 62 HG3 ARG 8 HG1 ARG 8 -1.761 -8.320 5.950 63 HD2 ARG 8 HD2 ARG 8 -4.226 -8.165 6.345 64 HD3 ARG 8 HD1 ARG 8 -4.464 -8.043 4.593 65 HE ARG 8 HE ARG 8 -3.000 -10.297 4.830 66 HH11 ARG 8 HH11 ARG 8 -5.950 -9.293 6.459 67 HH12 ARG 8 HH12 ARG 8 -6.552 -10.909 6.609 68 HH21 ARG 8 HH21 ARG 8 -3.797 -12.408 5.075 69 HH22 ARG 8 HH22 ARG 8 -5.340 -12.668 5.816 70 H ASN 9 HN ASN 9 0.554 -7.537 4.441 71 HA ASN 9 HA ASN 9 1.664 -8.409 6.878 72 HB2 ASN 9 HB2 ASN 9 1.727 -9.826 4.903 73 HB3 ASN 9 HB1 ASN 9 2.630 -8.618 3.996 74 HD21 ASN 9 HD21 ASN 9 4.311 -9.973 3.513 75 HD22 ASN 9 HD22 ASN 9 5.429 -10.573 4.684 76 H ILE 10 HN ILE 10 2.833 -6.175 4.387 77 HA ILE 10 HA ILE 10 5.273 -5.376 5.522 78 HB ILE 10 HB ILE 10 3.362 -3.951 3.626 79 HG12 ILE 10 HG12 ILE 10 6.010 -5.378 3.091 80 HG13 ILE 10 HG11 ILE 10 4.418 -6.064 2.805 81 HG21 ILE 10 HG21 ILE 10 6.182 -3.071 4.329 82 HG22 ILE 10 HG22 ILE 10 4.695 -2.208 4.712 83 HG23 ILE 10 HG23 ILE 10 5.193 -2.396 3.033 84 HD11 ILE 10 HD11 ILE 10 5.609 -3.682 1.405 85 HD12 ILE 10 HD12 ILE 10 3.985 -4.323 1.132 86 HD13 ILE 10 HD13 ILE 10 5.397 -5.307 0.751 87 H LEU 11 HN LEU 11 2.013 -3.960 5.828 88 HA LEU 11 HA LEU 11 2.674 -1.737 7.430 89 HB2 LEU 11 HB2 LEU 11 0.064 -3.306 7.350 90 HB3 LEU 11 HB1 LEU 11 0.254 -1.685 8.003 91 HG LEU 11 HG LEU 11 0.774 -2.362 5.086 92 HD11 LEU 11 HD11 LEU 11 -1.431 -1.448 4.563 93 HD12 LEU 11 HD12 LEU 11 -1.776 -1.250 6.281 94 HD13 LEU 11 HD13 LEU 11 -1.564 -2.866 5.603 95 HD21 LEU 11 HD21 LEU 11 1.886 -0.304 5.846 96 HD22 LEU 11 HD22 LEU 11 0.349 0.326 6.439 97 HD23 LEU 11 HD23 LEU 11 0.588 0.060 4.712 98 H GLY 12 HN GLY 12 1.833 -5.075 8.291 99 HA2 GLY 12 HA2 GLY 12 1.848 -4.670 11.128 100 HA3 GLY 12 HA1 GLY 12 1.899 -6.209 10.288 101 H ASP 13 HN ASP 13 4.320 -5.337 8.749 102 HA ASP 13 HA ASP 13 6.347 -6.238 10.558 103 HB2 ASP 13 HB2 ASP 13 6.457 -6.884 8.218 104 HB3 ASP 13 HB1 ASP 13 6.399 -5.211 7.681 105 H VAL 14 HN VAL 14 5.640 -3.148 8.942 106 HA VAL 14 HA VAL 14 7.951 -1.804 10.038 107 HB VAL 14 HB VAL 14 5.556 -0.670 8.512 108 HG11 VAL 14 HG11 VAL 14 6.702 1.084 9.777 109 HG12 VAL 14 HG12 VAL 14 7.010 1.285 8.054 110 HG13 VAL 14 HG13 VAL 14 8.259 0.602 9.100 111 HG21 VAL 14 HG21 VAL 14 8.296 -1.514 7.476 112 HG22 VAL 14 HG22 VAL 14 7.036 -0.726 6.527 113 HG23 VAL 14 HG23 VAL 14 6.765 -2.338 7.175 114 H LEU 15 HN LEU 15 4.419 -1.498 10.432 115 HA LEU 15 HA LEU 15 4.691 0.567 12.480 116 HB2 LEU 15 HB2 LEU 15 2.156 -0.716 11.426 117 HB3 LEU 15 HB1 LEU 15 2.279 0.802 12.296 118 HG LEU 15 HG LEU 15 3.359 0.297 9.494 119 HD11 LEU 15 HD11 LEU 15 0.915 0.257 9.499 120 HD12 LEU 15 HD12 LEU 15 1.517 1.699 8.687 121 HD13 LEU 15 HD13 LEU 15 0.872 1.817 10.325 122 HD21 LEU 15 HD21 LEU 15 3.717 2.728 9.397 123 HD22 LEU 15 HD22 LEU 15 4.676 1.990 10.677 124 HD23 LEU 15 HD23 LEU 15 3.204 2.882 11.079 125 H ASN 16 HN ASN 16 4.674 -2.786 12.445 126 HA ASN 16 HA ASN 16 4.911 -4.324 14.053 127 HB2 ASN 16 HB2 ASN 16 6.265 -2.560 15.182 128 HB3 ASN 16 HB1 ASN 16 4.825 -1.981 16.009 129 HD21 ASN 16 HD21 ASN 16 5.694 -5.400 15.525 130 HD22 ASN 16 HD22 ASN 16 5.944 -5.753 17.194 131 H LEU 17 HN LEU 17 2.391 -3.995 12.995 132 HA LEU 17 HA LEU 17 0.364 -4.119 15.034 133 HB2 LEU 17 HB2 LEU 17 0.387 -4.836 12.084 134 HB3 LEU 17 HB1 LEU 17 -0.985 -5.253 13.086 135 HG LEU 17 HG LEU 17 -1.361 -2.855 13.602 136 HD11 LEU 17 HD11 LEU 17 -0.211 -1.095 12.354 137 HD12 LEU 17 HD12 LEU 17 0.877 -2.294 11.648 138 HD13 LEU 17 HD13 LEU 17 0.898 -1.991 13.386 139 HD21 LEU 17 HD21 LEU 17 -2.220 -2.184 11.389 140 HD22 LEU 17 HD22 LEU 17 -2.577 -3.873 11.740 141 HD23 LEU 17 HD23 LEU 17 -1.267 -3.465 10.628 142 H GLY 18 HN GLY 18 2.417 -6.464 13.381 143 HA2 GLY 18 HA2 GLY 18 2.924 -8.651 13.763 144 HA3 GLY 18 HA1 GLY 18 2.225 -8.474 15.367 145 H GLU 19 HN GLU 19 -0.024 -8.924 15.656 146 HA GLU 19 HA GLU 19 -1.142 -10.897 13.795 147 HB2 GLU 19 HB2 GLU 19 -2.788 -11.344 15.587 148 HB3 GLU 19 HB1 GLU 19 -1.138 -11.463 16.188 149 HG2 GLU 19 HG2 GLU 19 -1.311 -9.320 17.307 150 HG3 GLU 19 HG1 GLU 19 -2.864 -8.991 16.538 151 H ARG 20 HN ARG 20 -1.631 -7.616 14.797 152 HA ARG 20 HA ARG 20 -4.402 -7.326 14.230 153 HB2 ARG 20 HB2 ARG 20 -2.755 -5.880 15.714 154 HB3 ARG 20 HB1 ARG 20 -2.469 -4.985 14.240 155 HG2 ARG 20 HG2 ARG 20 -5.233 -5.351 15.434 156 HG3 ARG 20 HG1 ARG 20 -4.173 -4.014 15.870 157 HD2 ARG 20 HD2 ARG 20 -4.185 -3.235 13.540 158 HD3 ARG 20 HD1 ARG 20 -5.206 -4.602 13.082 159 HE ARG 20 HE ARG 20 -6.296 -2.953 15.187 160 HH11 ARG 20 HH11 ARG 20 -6.112 -3.328 11.687 161 HH12 ARG 20 HH12 ARG 20 -7.596 -2.479 11.412 162 HH21 ARG 20 HH21 ARG 20 -8.227 -1.883 14.807 163 HH22 ARG 20 HH22 ARG 20 -8.809 -1.670 13.188 164 H LYS 21 HN LYS 21 -1.574 -7.261 12.242 165 HA LYS 21 HA LYS 21 -2.566 -5.865 9.978 166 HB2 LYS 21 HB2 LYS 21 -0.681 -6.738 8.793 167 HB3 LYS 21 HB1 LYS 21 -0.150 -6.372 10.431 168 HG2 LYS 21 HG2 LYS 21 -0.338 -8.745 11.029 169 HG3 LYS 21 HG1 LYS 21 -0.894 -9.116 9.395 170 HD2 LYS 21 HD2 LYS 21 1.342 -8.137 8.589 171 HD3 LYS 21 HD1 LYS 21 1.850 -8.193 10.280 172 HE2 LYS 21 HE2 LYS 21 1.336 -10.613 10.322 173 HE3 LYS 21 HE1 LYS 21 0.921 -10.530 8.612 174 HZ1 LYS 21 HZ1 LYS 21 3.114 -11.302 8.722 175 HZ2 LYS 21 HZ2 LYS 21 3.569 -10.146 9.860 176 HZ3 LYS 21 HZ3 LYS 21 3.245 -9.681 8.269 177 H HIS 22 HN HIS 22 -3.034 -9.100 11.165 178 HA HIS 22 HA HIS 22 -3.971 -10.137 8.575 179 HB2 HIS 22 HB2 HIS 22 -2.305 -11.448 9.904 180 HB3 HIS 22 HB1 HIS 22 -3.476 -11.599 11.209 181 HD1 HIS 22 HD1 HIS 22 -5.475 -13.248 10.803 182 HD2 HIS 22 HD2 HIS 22 -2.696 -13.139 7.722 183 HE1 HIS 22 HE1 HIS 22 -5.958 -15.263 9.394 184 HE2 HIS 22 HE2 HIS 22 -4.109 -15.298 7.688 185 H THR 23 HN THR 23 -5.191 -8.945 11.598 186 HA THR 23 HA THR 23 -7.816 -10.167 11.376 187 HB THR 23 HB THR 23 -6.767 -9.505 13.615 188 HG1 THR 23 HG1 THR 23 -9.374 -8.524 12.973 189 HG21 THR 23 HG21 THR 23 -7.077 -7.214 14.419 190 HG22 THR 23 HG22 THR 23 -7.704 -6.717 12.847 191 HG23 THR 23 HG23 THR 23 -6.021 -7.210 13.009 192 H LEU 24 HN LEU 24 -6.282 -7.592 9.816 193 HA LEU 24 HA LEU 24 -8.811 -6.178 9.285 194 HB2 LEU 24 HB2 LEU 24 -7.477 -4.279 8.523 195 HB3 LEU 24 HB1 LEU 24 -7.129 -4.713 10.171 196 HG LEU 24 HG LEU 24 -4.987 -5.845 9.249 197 HD11 LEU 24 HD11 LEU 24 -5.529 -5.888 6.867 198 HD12 LEU 24 HD12 LEU 24 -4.079 -4.933 7.160 199 HD13 LEU 24 HD13 LEU 24 -5.613 -4.124 6.831 200 HD21 LEU 24 HD21 LEU 24 -3.735 -3.734 9.281 201 HD22 LEU 24 HD22 LEU 24 -4.944 -3.773 10.560 202 HD23 LEU 24 HD23 LEU 24 -5.239 -2.823 9.101 203 H THR 25 HN THR 25 -9.301 -5.539 7.128 204 HA THR 25 HA THR 25 -8.429 -7.470 5.053 205 HB THR 25 HB THR 25 -10.788 -7.545 4.252 206 HG1 THR 25 HG1 THR 25 -11.749 -6.318 6.587 207 HG21 THR 25 HG21 THR 25 -10.137 -9.288 5.875 208 HG22 THR 25 HG22 THR 25 -11.826 -8.833 6.098 209 HG23 THR 25 HG23 THR 25 -10.597 -8.231 7.211 210 H ALA 26 HN ALA 26 -9.772 -6.515 2.871 211 HA ALA 26 HA ALA 26 -8.277 -4.304 1.996 212 HB1 ALA 26 HB1 ALA 26 -10.870 -5.363 0.830 213 HB2 ALA 26 HB2 ALA 26 -9.260 -5.979 0.471 214 HB3 ALA 26 HB3 ALA 26 -9.698 -4.338 -0.000 215 H SER 27 HN SER 27 -11.374 -4.442 3.609 216 HA SER 27 HA SER 27 -12.295 -1.812 2.912 217 HB2 SER 27 HB2 SER 27 -13.226 -3.734 5.093 218 HB3 SER 27 HB1 SER 27 -14.068 -2.254 4.619 219 HG SER 27 HG SER 27 -14.066 -3.243 2.432 220 H SER 28 HN SER 28 -10.183 -3.073 5.386 221 HA SER 28 HA SER 28 -10.715 -1.262 7.484 222 HB2 SER 28 HB2 SER 28 -8.645 -2.040 8.504 223 HB3 SER 28 HB1 SER 28 -9.474 -3.413 7.776 224 HG SER 28 HG SER 28 -7.987 -2.710 5.869 225 H VAL 29 HN VAL 29 -10.016 0.730 7.914 226 HA VAL 29 HA VAL 29 -8.694 2.311 5.889 227 HB VAL 29 HB VAL 29 -9.612 3.102 8.705 228 HG11 VAL 29 HG11 VAL 29 -9.627 5.422 7.868 229 HG12 VAL 29 HG12 VAL 29 -9.019 4.873 6.306 230 HG13 VAL 29 HG13 VAL 29 -8.016 4.713 7.747 231 HG21 VAL 29 HG21 VAL 29 -11.162 3.302 6.084 232 HG22 VAL 29 HG22 VAL 29 -11.682 3.964 7.637 233 HG23 VAL 29 HG23 VAL 29 -11.522 2.220 7.435 234 H LEU 30 HN LEU 30 -6.650 3.369 6.218 235 HA LEU 30 HA LEU 30 -4.907 2.126 8.259 236 HB2 LEU 30 HB2 LEU 30 -4.099 3.322 5.589 237 HB3 LEU 30 HB1 LEU 30 -3.025 2.542 6.747 238 HG LEU 30 HG LEU 30 -5.212 1.209 5.103 239 HD11 LEU 30 HD11 LEU 30 -2.212 0.859 5.051 240 HD12 LEU 30 HD12 LEU 30 -3.180 1.733 3.863 241 HD13 LEU 30 HD13 LEU 30 -3.383 -0.007 4.051 242 HD21 LEU 30 HD21 LEU 30 -5.179 0.148 7.326 243 HD22 LEU 30 HD22 LEU 30 -3.435 -0.094 7.209 244 HD23 LEU 30 HD23 LEU 30 -4.523 -0.942 6.108 245 H LEU 31 HN LEU 31 -4.717 5.128 6.270 246 HA LEU 31 HA LEU 31 -3.643 6.772 8.237 247 HB2 LEU 31 HB2 LEU 31 -5.380 7.405 5.830 248 HB3 LEU 31 HB1 LEU 31 -4.738 8.670 6.859 249 HG LEU 31 HG LEU 31 -3.081 6.710 5.226 250 HD11 LEU 31 HD11 LEU 31 -2.487 8.661 3.858 251 HD12 LEU 31 HD12 LEU 31 -3.577 9.676 4.808 252 HD13 LEU 31 HD13 LEU 31 -4.225 8.361 3.823 253 HD21 LEU 31 HD21 LEU 31 -1.133 8.082 5.882 254 HD22 LEU 31 HD22 LEU 31 -1.887 7.316 7.278 255 HD23 LEU 31 HD23 LEU 31 -2.161 9.032 6.963 256 H GLY 32 HN GLY 32 -4.450 7.133 10.173 257 HA2 GLY 32 HA2 GLY 32 -5.853 8.368 11.608 258 HA3 GLY 32 HA1 GLY 32 -7.210 8.111 10.521 259 H ASN 33 HN ASN 33 -6.569 5.164 10.335 260 HA ASN 33 HA ASN 33 -8.029 4.347 12.738 261 HB2 ASN 33 HB2 ASN 33 -8.737 3.545 10.483 262 HB3 ASN 33 HB1 ASN 33 -7.208 2.689 10.321 263 HD21 ASN 33 HD21 ASN 33 -8.127 0.638 10.189 264 HD22 ASN 33 HD22 ASN 33 -8.942 -0.125 11.505 265 H ILE 34 HN ILE 34 -4.950 3.496 11.087 266 HA ILE 34 HA ILE 34 -4.037 1.791 13.224 267 HB ILE 34 HB ILE 34 -2.296 3.022 11.042 268 HG12 ILE 34 HG12 ILE 34 -4.123 1.859 9.892 269 HG13 ILE 34 HG11 ILE 34 -2.647 0.924 9.715 270 HG21 ILE 34 HG21 ILE 34 -1.017 2.063 12.875 271 HG22 ILE 34 HG22 ILE 34 -0.826 1.061 11.436 272 HG23 ILE 34 HG23 ILE 34 -1.895 0.537 12.741 273 HD11 ILE 34 HD11 ILE 34 -4.941 0.316 11.585 274 HD12 ILE 34 HD12 ILE 34 -3.454 -0.628 11.462 275 HD13 ILE 34 HD13 ILE 34 -4.548 -0.520 10.085 276 HA PRO 35 HA PRO 35 -2.937 5.530 15.533 277 HB2 PRO 35 HB2 PRO 35 -2.241 4.399 17.905 278 HB3 PRO 35 HB1 PRO 35 -3.922 4.433 17.349 279 HG2 PRO 35 HG2 PRO 35 -1.922 2.180 17.201 280 HG3 PRO 35 HG1 PRO 35 -3.632 2.126 17.687 281 HD2 PRO 35 HD2 PRO 35 -2.749 1.436 15.165 282 HD3 PRO 35 HD1 PRO 35 -4.375 2.063 15.485 283 H GLU 36 HN GLU 36 -0.778 3.204 14.368 284 HA GLU 36 HA GLU 36 1.632 4.540 15.459 285 HB2 GLU 36 HB2 GLU 36 1.509 1.848 14.034 286 HB3 GLU 36 HB1 GLU 36 2.856 2.510 14.952 287 HG2 GLU 36 HG2 GLU 36 0.208 1.515 16.045 288 HG3 GLU 36 HG1 GLU 36 1.790 0.766 16.238 289 H LEU 37 HN LEU 37 -0.335 4.744 12.825 290 HA LEU 37 HA LEU 37 1.814 4.965 10.816 291 HB2 LEU 37 HB2 LEU 37 -0.248 3.676 10.240 292 HB3 LEU 37 HB1 LEU 37 -1.201 5.139 10.441 293 HG LEU 37 HG LEU 37 0.026 6.197 8.543 294 HD11 LEU 37 HD11 LEU 37 1.406 3.513 8.224 295 HD12 LEU 37 HD12 LEU 37 2.168 5.034 8.700 296 HD13 LEU 37 HD13 LEU 37 1.488 4.859 7.085 297 HD21 LEU 37 HD21 LEU 37 -0.991 4.888 6.730 298 HD22 LEU 37 HD22 LEU 37 -2.098 5.047 8.097 299 HD23 LEU 37 HD23 LEU 37 -1.233 3.524 7.828 300 H ASP 38 HN ASP 38 2.723 6.812 11.895 301 HA ASP 38 HA ASP 38 1.305 9.379 11.676 302 HB2 ASP 38 HB2 ASP 38 3.228 10.282 12.968 303 HB3 ASP 38 HB1 ASP 38 2.495 8.916 13.801 304 H SER 39 HN SER 39 3.435 11.041 11.233 305 HA SER 39 HA SER 39 3.603 11.391 8.516 306 HB2 SER 39 HB2 SER 39 4.012 13.114 10.233 307 HB3 SER 39 HB1 SER 39 5.514 12.308 10.698 308 H MET 40 HN MET 40 6.513 10.523 10.440 309 HA MET 40 HA MET 40 7.991 9.704 8.173 310 HB2 MET 40 HB2 MET 40 8.536 9.130 11.111 311 HB3 MET 40 HB1 MET 40 9.664 8.843 9.787 312 HG2 MET 40 HG2 MET 40 8.623 11.516 10.742 313 HG3 MET 40 HG1 MET 40 10.273 10.900 10.855 314 HE1 MET 40 HE1 MET 40 11.555 12.834 9.640 315 HE2 MET 40 HE2 MET 40 10.040 13.734 9.727 316 HE3 MET 40 HE3 MET 40 10.926 13.651 8.208 317 H ALA 41 HN ALA 41 5.794 8.008 10.264 318 HA ALA 41 HA ALA 41 6.518 5.345 9.653 319 HB1 ALA 41 HB1 ALA 41 3.792 6.403 10.417 320 HB2 ALA 41 HB2 ALA 41 5.076 5.968 11.544 321 HB3 ALA 41 HB3 ALA 41 4.338 4.732 10.527 322 H VAL 42 HN VAL 42 4.298 7.630 7.924 323 HA VAL 42 HA VAL 42 3.424 5.698 6.014 324 HB VAL 42 HB VAL 42 2.580 7.423 4.577 325 HG11 VAL 42 HG11 VAL 42 2.121 8.270 7.445 326 HG12 VAL 42 HG12 VAL 42 1.232 7.028 6.562 327 HG13 VAL 42 HG13 VAL 42 1.113 8.718 6.067 328 HG21 VAL 42 HG21 VAL 42 4.018 9.575 6.168 329 HG22 VAL 42 HG22 VAL 42 3.007 9.810 4.747 330 HG23 VAL 42 HG23 VAL 42 4.554 8.976 4.601 331 H VAL 43 HN VAL 43 6.204 7.849 6.205 332 HA VAL 43 HA VAL 43 7.202 7.433 3.560 333 HB VAL 43 HB VAL 43 8.991 7.927 5.968 334 HG11 VAL 43 HG11 VAL 43 10.381 9.189 4.371 335 HG12 VAL 43 HG12 VAL 43 9.238 8.840 3.072 336 HG13 VAL 43 HG13 VAL 43 10.154 7.528 3.821 337 HG21 VAL 43 HG21 VAL 43 8.551 10.347 5.686 338 HG22 VAL 43 HG22 VAL 43 7.112 9.448 6.170 339 HG23 VAL 43 HG23 VAL 43 7.296 9.975 4.492 340 H ASN 44 HN ASN 44 7.763 5.763 6.599 341 HA ASN 44 HA ASN 44 9.700 3.911 5.787 342 HB2 ASN 44 HB2 ASN 44 7.815 4.145 8.102 343 HB3 ASN 44 HB1 ASN 44 8.509 2.551 7.825 344 HD21 ASN 44 HD21 ASN 44 9.045 5.648 9.120 345 HD22 ASN 44 HD22 ASN 44 10.696 5.423 9.576 346 H VAL 45 HN VAL 45 6.128 3.564 5.871 347 HA VAL 45 HA VAL 45 6.186 0.861 4.913 348 HB VAL 45 HB VAL 45 3.730 1.098 4.502 349 HG11 VAL 45 HG11 VAL 45 3.100 1.285 6.893 350 HG12 VAL 45 HG12 VAL 45 4.677 1.995 7.251 351 HG13 VAL 45 HG13 VAL 45 4.569 0.330 6.682 352 HG21 VAL 45 HG21 VAL 45 3.611 3.468 3.907 353 HG22 VAL 45 HG22 VAL 45 4.093 3.920 5.544 354 HG23 VAL 45 HG23 VAL 45 2.540 3.120 5.269 355 H ILE 46 HN ILE 46 6.086 3.996 3.279 356 HA ILE 46 HA ILE 46 5.509 3.141 0.645 357 HB ILE 46 HB ILE 46 7.257 5.430 1.669 358 HG12 ILE 46 HG12 ILE 46 4.548 5.533 0.267 359 HG13 ILE 46 HG11 ILE 46 4.743 5.522 2.018 360 HG21 ILE 46 HG21 ILE 46 8.168 4.842 -0.534 361 HG22 ILE 46 HG22 ILE 46 7.324 6.383 -0.627 362 HG23 ILE 46 HG23 ILE 46 6.561 4.923 -1.256 363 HD11 ILE 46 HD11 ILE 46 4.331 7.760 1.176 364 HD12 ILE 46 HD12 ILE 46 5.736 7.656 0.117 365 HD13 ILE 46 HD13 ILE 46 5.950 7.664 1.872 366 H THR 47 HN THR 47 8.620 3.572 2.290 367 HA THR 47 HA THR 47 10.373 2.631 0.313 368 HB THR 47 HB THR 47 10.721 2.540 3.347 369 HG1 THR 47 HG1 THR 47 10.934 4.575 1.415 370 HG21 THR 47 HG21 THR 47 12.855 2.602 1.167 371 HG22 THR 47 HG22 THR 47 12.477 1.214 2.188 372 HG23 THR 47 HG23 THR 47 13.149 2.677 2.908 373 H ALA 48 HN ALA 48 8.756 0.944 2.960 374 HA ALA 48 HA ALA 48 9.925 -1.603 2.655 375 HB1 ALA 48 HB1 ALA 48 8.116 -2.378 4.114 376 HB2 ALA 48 HB2 ALA 48 7.251 -0.857 3.867 377 HB3 ALA 48 HB3 ALA 48 8.803 -0.864 4.705 378 H LEU 49 HN LEU 49 6.932 -0.196 1.253 379 HA LEU 49 HA LEU 49 5.951 -2.464 -0.085 380 HB2 LEU 49 HB2 LEU 49 5.539 0.473 -0.324 381 HB3 LEU 49 HB1 LEU 49 5.320 -0.362 -1.842 382 HG LEU 49 HG LEU 49 3.168 -0.046 -0.735 383 HD11 LEU 49 HD11 LEU 49 3.966 -2.969 -0.708 384 HD12 LEU 49 HD12 LEU 49 3.430 -2.042 -2.112 385 HD13 LEU 49 HD13 LEU 49 2.317 -2.337 -0.781 386 HD21 LEU 49 HD21 LEU 49 4.266 -1.658 1.590 387 HD22 LEU 49 HD22 LEU 49 2.592 -1.131 1.397 388 HD23 LEU 49 HD23 LEU 49 3.870 0.063 1.599 389 H GLU 50 HN GLU 50 8.221 0.049 -1.190 390 HA GLU 50 HA GLU 50 8.903 -0.827 -3.725 391 HB2 GLU 50 HB2 GLU 50 11.014 0.241 -1.805 392 HB3 GLU 50 HB1 GLU 50 10.949 0.437 -3.548 393 HG2 GLU 50 HG2 GLU 50 9.057 1.740 -1.577 394 HG3 GLU 50 HG1 GLU 50 10.476 2.509 -2.269 395 H GLU 51 HN GLU 51 10.371 -1.763 -0.629 396 HA GLU 51 HA GLU 51 12.440 -3.396 -1.634 397 HB2 GLU 51 HB2 GLU 51 11.135 -3.359 1.119 398 HB3 GLU 51 HB1 GLU 51 12.624 -4.216 0.750 399 HG2 GLU 51 HG2 GLU 51 12.176 -1.225 0.717 400 HG3 GLU 51 HG1 GLU 51 13.167 -2.146 1.845 401 H TYR 52 HN TYR 52 9.350 -4.357 -0.110 402 HA TYR 52 HA TYR 52 9.929 -7.144 -0.255 403 HB2 TYR 52 HB2 TYR 52 7.410 -5.627 0.493 404 HB3 TYR 52 HB1 TYR 52 7.488 -7.388 0.514 405 HD1 TYR 52 HD1 TYR 52 9.402 -8.466 1.935 406 HD2 TYR 52 HD2 TYR 52 8.105 -4.432 2.458 407 HE1 TYR 52 HE1 TYR 52 10.390 -8.427 4.182 408 HE2 TYR 52 HE2 TYR 52 9.092 -4.400 4.695 409 HH TYR 52 HH TYR 52 9.740 -5.957 6.434 410 H PHE 53 HN PHE 53 7.938 -5.002 -2.310 411 HA PHE 53 HA PHE 53 7.161 -7.273 -4.008 412 HB2 PHE 53 HB2 PHE 53 6.512 -4.322 -4.110 413 HB3 PHE 53 HB1 PHE 53 6.081 -5.411 -5.420 414 HD1 PHE 53 HD2 PHE 53 5.613 -4.955 -1.714 415 HD2 PHE 53 HD1 PHE 53 4.006 -6.488 -5.364 416 HE1 PHE 53 HE2 PHE 53 3.480 -5.459 -0.583 417 HE2 PHE 53 HE1 PHE 53 1.903 -6.985 -4.226 418 HZ PHE 53 HZ PHE 53 1.627 -6.469 -1.840 419 H ASP 54 HN ASP 54 9.760 -5.035 -3.847 420 HA ASP 54 HA ASP 54 11.624 -4.706 -5.069 421 HB2 ASP 54 HB2 ASP 54 10.717 -7.275 -6.428 422 HB3 ASP 54 HB1 ASP 54 12.229 -6.477 -6.843 423 H PHE 55 HN PHE 55 9.701 -3.040 -5.654 424 HA PHE 55 HA PHE 55 10.165 -2.362 -8.475 425 HB2 PHE 55 HB2 PHE 55 7.871 -2.003 -9.030 426 HB3 PHE 55 HB1 PHE 55 7.877 -3.570 -8.230 427 HD1 PHE 55 HD1 PHE 55 7.756 -3.026 -5.399 428 HD2 PHE 55 HD2 PHE 55 5.851 -0.876 -8.567 429 HE1 PHE 55 HE1 PHE 55 6.014 -2.262 -3.846 430 HE2 PHE 55 HE2 PHE 55 4.120 -0.151 -6.998 431 HZ PHE 55 HZ PHE 55 4.195 -0.827 -4.644 432 H SER 56 HN SER 56 8.833 -0.023 -8.667 433 HA SER 56 HA SER 56 9.219 1.528 -6.202 434 HB2 SER 56 HB2 SER 56 11.214 1.870 -7.643 435 HB3 SER 56 HB1 SER 56 10.176 2.404 -8.965 436 HG SER 56 HG SER 56 9.957 3.680 -6.469 437 H VAL 57 HN VAL 57 7.485 2.699 -5.717 438 HA VAL 57 HA VAL 57 5.419 3.384 -7.684 439 HB VAL 57 HB VAL 57 5.550 4.095 -4.698 440 HG11 VAL 57 HG11 VAL 57 3.108 4.484 -4.900 441 HG12 VAL 57 HG12 VAL 57 3.202 4.171 -6.637 442 HG13 VAL 57 HG13 VAL 57 4.038 5.561 -5.941 443 HG21 VAL 57 HG21 VAL 57 5.490 1.653 -4.973 444 HG22 VAL 57 HG22 VAL 57 4.061 1.783 -5.998 445 HG23 VAL 57 HG23 VAL 57 3.974 2.246 -4.297 446 H ASP 58 HN ASP 58 5.361 5.387 -8.620 447 HA ASP 58 HA ASP 58 7.562 7.235 -8.236 448 HB2 ASP 58 HB2 ASP 58 6.547 6.793 -10.473 449 HB3 ASP 58 HB1 ASP 58 5.045 7.538 -9.931 450 H ASP 59 HN ASP 59 7.364 9.470 -7.502 451 HA ASP 59 HA ASP 59 5.835 9.674 -5.102 452 HB2 ASP 59 HB2 ASP 59 8.074 10.713 -5.414 453 HB3 ASP 59 HB1 ASP 59 7.391 11.841 -6.582 454 H ASP 60 HN ASP 60 5.234 10.736 -8.381 455 HA ASP 60 HA ASP 60 3.243 12.731 -7.851 456 HB2 ASP 60 HB2 ASP 60 4.503 12.756 -9.958 457 HB3 ASP 60 HB1 ASP 60 3.898 11.161 -10.386 458 H GLU 61 HN GLU 61 3.186 9.242 -8.142 459 HA GLU 61 HA GLU 61 0.230 9.162 -8.334 460 HB2 GLU 61 HB2 GLU 61 0.427 6.759 -8.760 461 HB3 GLU 61 HB1 GLU 61 1.461 7.659 -9.866 462 HG2 GLU 61 HG2 GLU 61 3.413 7.118 -8.484 463 HG3 GLU 61 HG1 GLU 61 2.385 6.234 -7.367 464 H ILE 62 HN ILE 62 2.728 8.981 -5.966 465 HA ILE 62 HA ILE 62 1.226 7.559 -3.950 466 HB ILE 62 HB ILE 62 3.577 9.488 -3.564 467 HG12 ILE 62 HG12 ILE 62 3.536 6.436 -3.679 468 HG13 ILE 62 HG11 ILE 62 4.198 7.498 -4.912 469 HG21 ILE 62 HG21 ILE 62 3.817 8.456 -1.318 470 HG22 ILE 62 HG22 ILE 62 2.370 7.484 -1.607 471 HG23 ILE 62 HG23 ILE 62 2.247 9.240 -1.500 472 HD11 ILE 62 HD11 ILE 62 5.906 8.252 -3.323 473 HD12 ILE 62 HD12 ILE 62 5.942 6.511 -3.596 474 HD13 ILE 62 HD13 ILE 62 5.242 7.152 -2.107 475 H SER 63 HN SER 63 -0.715 8.409 -3.418 476 HA SER 63 HA SER 63 -0.894 11.228 -2.545 477 HB2 SER 63 HB2 SER 63 -2.419 10.639 -4.434 478 HB3 SER 63 HB1 SER 63 -3.103 9.329 -3.475 479 HG SER 63 HG SER 63 -4.005 11.728 -3.587 480 H ALA 64 HN ALA 64 -2.304 11.568 -0.632 481 HA ALA 64 HA ALA 64 -2.167 9.690 1.506 482 HB1 ALA 64 HB1 ALA 64 -3.830 11.145 2.626 483 HB2 ALA 64 HB2 ALA 64 -4.112 12.003 1.109 484 HB3 ALA 64 HB3 ALA 64 -2.539 12.102 1.900 485 H GLN 65 HN GLN 65 -4.402 10.279 -1.106 486 HA GLN 65 HA GLN 65 -6.542 8.569 -0.289 487 HB2 GLN 65 HB2 GLN 65 -5.872 9.528 -3.103 488 HB3 GLN 65 HB1 GLN 65 -7.422 8.903 -2.550 489 HG2 GLN 65 HG2 GLN 65 -6.116 11.519 -1.749 490 HG3 GLN 65 HG1 GLN 65 -7.550 11.309 -2.758 491 HE21 GLN 65 HE21 GLN 65 -6.303 11.285 0.492 492 HE22 GLN 65 HE22 GLN 65 -7.825 11.245 1.304 493 H THR 66 HN THR 66 -3.421 7.906 -1.552 494 HA THR 66 HA THR 66 -4.025 5.306 -2.656 495 HB THR 66 HB THR 66 -1.349 6.466 -1.728 496 HG1 THR 66 HG1 THR 66 -1.787 6.305 -4.429 497 HG21 THR 66 HG21 THR 66 -0.318 4.794 -3.247 498 HG22 THR 66 HG22 THR 66 -1.913 4.117 -3.585 499 HG23 THR 66 HG23 THR 66 -1.234 4.007 -1.959 500 H PHE 67 HN PHE 67 -2.919 6.669 0.455 501 HA PHE 67 HA PHE 67 -2.719 3.999 1.687 502 HB2 PHE 67 HB2 PHE 67 -1.640 6.714 2.511 503 HB3 PHE 67 HB1 PHE 67 -1.606 5.324 3.591 504 HD1 PHE 67 HD2 PHE 67 -0.447 6.437 0.189 505 HD2 PHE 67 HD1 PHE 67 0.168 3.769 3.479 506 HE1 PHE 67 HE2 PHE 67 1.653 5.658 -0.831 507 HE2 PHE 67 HE1 PHE 67 2.264 2.995 2.445 508 HZ PHE 67 HZ PHE 67 3.008 3.934 0.301 509 H GLU 68 HN GLU 68 -5.207 5.877 1.249 510 HA GLU 68 HA GLU 68 -6.325 6.456 3.758 511 HB2 GLU 68 HB2 GLU 68 -8.529 6.473 2.548 512 HB3 GLU 68 HB1 GLU 68 -7.281 7.434 1.762 513 HG2 GLU 68 HG2 GLU 68 -6.920 5.707 0.097 514 HG3 GLU 68 HG1 GLU 68 -8.023 4.623 0.935 515 H THR 69 HN THR 69 -6.616 3.508 1.771 516 HA THR 69 HA THR 69 -7.265 1.911 4.139 517 HB THR 69 HB THR 69 -9.484 2.543 3.306 518 HG1 THR 69 HG1 THR 69 -9.643 0.498 3.996 519 HG21 THR 69 HG21 THR 69 -8.652 1.384 0.625 520 HG22 THR 69 HG22 THR 69 -8.942 3.090 0.971 521 HG23 THR 69 HG23 THR 69 -10.274 1.938 1.052 522 H LEU 70 HN LEU 70 -7.076 -0.417 3.725 523 HA LEU 70 HA LEU 70 -4.682 -1.118 2.450 524 HB2 LEU 70 HB2 LEU 70 -5.721 -2.411 4.315 525 HB3 LEU 70 HB1 LEU 70 -6.990 -2.952 3.225 526 HG LEU 70 HG LEU 70 -5.200 -4.089 1.823 527 HD11 LEU 70 HD11 LEU 70 -3.270 -2.788 2.512 528 HD12 LEU 70 HD12 LEU 70 -3.001 -4.499 2.830 529 HD13 LEU 70 HD13 LEU 70 -3.397 -3.410 4.163 530 HD21 LEU 70 HD21 LEU 70 -4.897 -6.028 3.340 531 HD22 LEU 70 HD22 LEU 70 -6.551 -5.423 3.344 532 HD23 LEU 70 HD23 LEU 70 -5.478 -5.049 4.694 533 H GLY 71 HN GLY 71 -8.007 -1.263 1.331 534 HA2 GLY 71 HA2 GLY 71 -7.770 -2.828 -0.985 535 HA3 GLY 71 HA1 GLY 71 -8.983 -1.587 -0.715 536 H SER 72 HN SER 72 -7.324 0.664 -0.521 537 HA SER 72 HA SER 72 -6.990 1.372 -3.232 538 HB2 SER 72 HB2 SER 72 -5.973 2.789 -0.736 539 HB3 SER 72 HB1 SER 72 -6.055 3.502 -2.352 540 HG SER 72 HG SER 72 -7.990 4.050 -1.738 541 H LEU 73 HN LEU 73 -4.520 0.662 -0.677 542 HA LEU 73 HA LEU 73 -2.206 0.995 -2.239 543 HB2 LEU 73 HB2 LEU 73 -2.732 -0.909 0.077 544 HB3 LEU 73 HB1 LEU 73 -1.171 -0.817 -0.712 545 HG LEU 73 HG LEU 73 -0.988 0.442 1.273 546 HD11 LEU 73 HD11 LEU 73 0.105 1.471 -0.654 547 HD12 LEU 73 HD12 LEU 73 -0.429 2.683 0.504 548 HD13 LEU 73 HD13 LEU 73 -1.341 2.433 -0.983 549 HD21 LEU 73 HD21 LEU 73 -3.366 0.720 1.750 550 HD22 LEU 73 HD22 LEU 73 -3.481 1.973 0.512 551 HD23 LEU 73 HD23 LEU 73 -2.481 2.230 1.944 552 H ALA 74 HN ALA 74 -4.271 -1.812 -1.726 553 HA ALA 74 HA ALA 74 -2.815 -3.746 -3.104 554 HB1 ALA 74 HB1 ALA 74 -4.840 -5.069 -3.100 555 HB2 ALA 74 HB2 ALA 74 -5.823 -3.638 -2.761 556 HB3 ALA 74 HB3 ALA 74 -4.682 -4.234 -1.552 557 H LEU 75 HN LEU 75 -5.364 -1.519 -4.266 558 HA LEU 75 HA LEU 75 -5.568 -2.455 -6.917 559 HB2 LEU 75 HB2 LEU 75 -6.374 0.053 -5.504 560 HB3 LEU 75 HB1 LEU 75 -6.121 0.245 -7.222 561 HG LEU 75 HG LEU 75 -8.458 -0.114 -6.885 562 HD11 LEU 75 HD11 LEU 75 -7.292 -2.707 -7.938 563 HD12 LEU 75 HD12 LEU 75 -7.508 -1.217 -8.860 564 HD13 LEU 75 HD13 LEU 75 -8.916 -2.079 -8.244 565 HD21 LEU 75 HD21 LEU 75 -9.412 -2.088 -5.769 566 HD22 LEU 75 HD22 LEU 75 -8.437 -1.112 -4.674 567 HD23 LEU 75 HD23 LEU 75 -7.788 -2.618 -5.321 568 H PHE 76 HN PHE 76 -3.560 0.179 -5.549 569 HA PHE 76 HA PHE 76 -2.311 1.013 -7.915 570 HB2 PHE 76 HB2 PHE 76 -1.590 1.232 -4.988 571 HB3 PHE 76 HB1 PHE 76 -0.386 1.699 -6.185 572 HD1 PHE 76 HD2 PHE 76 -3.945 2.382 -5.178 573 HD2 PHE 76 HD1 PHE 76 -0.448 3.863 -7.139 574 HE1 PHE 76 HE2 PHE 76 -5.006 4.584 -5.409 575 HE2 PHE 76 HE1 PHE 76 -1.524 6.059 -7.375 576 HZ PHE 76 HZ PHE 76 -3.801 6.423 -6.514 577 H VAL 77 HN VAL 77 -1.094 -1.311 -5.483 578 HA VAL 77 HA VAL 77 1.256 -1.962 -6.954 579 HB VAL 77 HB VAL 77 1.678 -3.728 -5.313 580 HG11 VAL 77 HG11 VAL 77 1.771 -2.321 -3.270 581 HG12 VAL 77 HG12 VAL 77 0.674 -1.159 -4.021 582 HG13 VAL 77 HG13 VAL 77 2.278 -1.429 -4.707 583 HG21 VAL 77 HG21 VAL 77 -0.607 -4.593 -5.027 584 HG22 VAL 77 HG22 VAL 77 -1.079 -3.118 -4.187 585 HG23 VAL 77 HG23 VAL 77 0.114 -4.203 -3.467 586 H GLU 78 HN GLU 78 -2.037 -3.285 -7.041 587 HA GLU 78 HA GLU 78 -1.562 -5.644 -8.503 588 HB2 GLU 78 HB2 GLU 78 -3.883 -3.681 -8.763 589 HB3 GLU 78 HB1 GLU 78 -3.790 -5.155 -9.712 590 HG2 GLU 78 HG2 GLU 78 -4.130 -4.898 -6.733 591 HG3 GLU 78 HG1 GLU 78 -5.278 -5.532 -7.896 592 H HIS 79 HN HIS 79 -2.133 -2.310 -9.660 593 HA HIS 79 HA HIS 79 -1.873 -2.867 -12.414 594 HB2 HIS 79 HB2 HIS 79 -1.676 -0.296 -10.820 595 HB3 HIS 79 HB1 HIS 79 -1.437 -0.302 -12.562 596 HD1 HIS 79 HD1 HIS 79 -3.473 0.114 -13.879 597 HD2 HIS 79 HD2 HIS 79 -4.393 -1.469 -10.154 598 HE1 HIS 79 HE1 HIS 79 -5.976 0.121 -13.745 599 HE2 HIS 79 HE2 HIS 79 -6.497 -0.676 -11.415 600 H LYS 80 HN LYS 80 0.478 -1.698 -10.051 601 HA LYS 80 HA LYS 80 2.631 -1.082 -11.720 602 HB2 LYS 80 HB2 LYS 80 2.692 -2.082 -8.838 603 HB3 LYS 80 HB1 LYS 80 4.023 -1.271 -9.658 604 HG2 LYS 80 HG2 LYS 80 1.326 -0.043 -9.014 605 HG3 LYS 80 HG1 LYS 80 2.824 0.240 -8.135 606 HD2 LYS 80 HD2 LYS 80 2.479 0.876 -11.074 607 HD3 LYS 80 HD1 LYS 80 2.145 2.038 -9.793 608 HE2 LYS 80 HE2 LYS 80 4.475 1.937 -9.049 609 HE3 LYS 80 HE1 LYS 80 4.826 0.684 -10.240 610 HZ1 LYS 80 HZ1 LYS 80 5.537 2.882 -10.962 611 HZ2 LYS 80 HZ2 LYS 80 3.940 3.435 -10.887 612 HZ3 LYS 80 HZ3 LYS 80 4.369 2.232 -11.994 613 H LEU 81 HN LEU 81 2.080 -4.058 -9.844 614 HA LEU 81 HA LEU 81 4.386 -5.384 -10.962 615 HB2 LEU 81 HB2 LEU 81 2.270 -6.295 -8.988 616 HB3 LEU 81 HB1 LEU 81 3.508 -7.378 -9.588 617 HG LEU 81 HG LEU 81 4.236 -6.639 -7.434 618 HD11 LEU 81 HD11 LEU 81 6.038 -6.776 -9.071 619 HD12 LEU 81 HD12 LEU 81 6.370 -5.531 -7.872 620 HD13 LEU 81 HD13 LEU 81 5.824 -5.072 -9.487 621 HD21 LEU 81 HD21 LEU 81 4.506 -4.283 -6.772 622 HD22 LEU 81 HD22 LEU 81 2.829 -4.684 -7.131 623 HD23 LEU 81 HD23 LEU 81 3.783 -3.770 -8.302 624 H SER 82 HN SER 82 1.096 -5.109 -11.960 625 HA SER 82 HA SER 82 1.033 -7.533 -13.542 626 HB2 SER 82 HB2 SER 82 -0.738 -5.060 -13.590 627 HB3 SER 82 HB1 SER 82 -1.011 -6.485 -14.597 628 HG SER 82 HG SER 82 -0.715 -6.756 -11.808 629 H HIS 83 HN HIS 83 2.345 -4.340 -13.962 630 HA HIS 83 HA HIS 83 2.522 -4.349 -16.830 631 HB2 HIS 83 HB2 HIS 83 4.113 -2.774 -14.756 632 HB3 HIS 83 HB1 HIS 83 4.196 -2.497 -16.495 633 HD1 HIS 83 HD1 HIS 83 1.218 -2.524 -17.211 634 HD2 HIS 83 HD2 HIS 83 2.768 -0.538 -13.910 635 HE1 HIS 83 HE1 HIS 83 -0.465 -0.759 -16.639 636 HE2 HIS 83 HE2 HIS 83 0.610 0.567 -14.800 637 H282 PNS 84 H282 PNS 84 8.558 15.020 6.728 638 H281 PNS 84 H281 PNS 84 8.043 13.538 7.523 639 H303 PNS 84 H303 PNS 84 5.300 12.717 5.021 640 H302 PNS 84 H302 PNS 84 5.982 12.252 6.581 641 H301 PNS 84 H301 PNS 84 5.005 13.713 6.450 642 H313 PNS 84 H313 PNS 84 8.358 12.214 5.572 643 H312 PNS 84 H312 PNS 84 7.563 12.552 4.033 644 H311 PNS 84 H311 PNS 84 8.895 13.577 4.578 645 H32 PNS 84 H32 PNS 84 6.177 15.951 5.382 646 H33 PNS 84 H33 PNS 84 7.769 15.666 3.198 647 H36 PNS 84 H36 PNS 84 6.940 13.600 2.760 648 H372 PNS 84 H372 PNS 84 4.862 14.300 1.004 649 H371 PNS 84 H371 PNS 84 5.772 12.782 0.994 650 H382 PNS 84 H382 PNS 84 4.183 12.339 3.161 651 H381 PNS 84 H381 PNS 84 3.120 13.393 2.240 652 H41 PNS 84 H41 PNS 84 2.271 10.944 2.872 653 H422 PNS 84 H422 PNS 84 1.383 9.795 0.517 654 H421 PNS 84 H421 PNS 84 2.827 8.881 0.979 655 H431 PNS 84 H431 PNS 84 1.824 8.317 3.110 656 H432 PNS 84 H432 PNS 84 0.758 7.840 1.787 657 H44 PNS 84 H44 PNS 84 0.118 9.795 4.341 Start of MODEL 16 1 H MET 1 HT1 MET 1 -8.532 -8.693 -2.851 2 HA MET 1 HA MET 1 -7.204 -8.284 -5.453 3 HB2 MET 1 HB2 MET 1 -8.375 -6.316 -3.829 4 HB3 MET 1 HB1 MET 1 -6.717 -6.305 -3.250 5 HG2 MET 1 HG2 MET 1 -6.872 -4.656 -4.941 6 HG3 MET 1 HG1 MET 1 -5.996 -6.011 -5.657 7 HE1 MET 1 HE1 MET 1 -6.461 -5.321 -8.202 8 HE2 MET 1 HE2 MET 1 -7.181 -3.841 -7.572 9 HE3 MET 1 HE3 MET 1 -8.043 -4.796 -8.776 10 H GLN 2 HN GLN 2 -5.529 -9.757 -5.348 11 HA GLN 2 HA GLN 2 -4.958 -11.236 -3.068 12 HB2 GLN 2 HB2 GLN 2 -3.113 -12.275 -4.343 13 HB3 GLN 2 HB1 GLN 2 -4.592 -12.158 -5.283 14 HG2 GLN 2 HG2 GLN 2 -3.697 -10.652 -6.799 15 HG3 GLN 2 HG1 GLN 2 -2.605 -9.943 -5.615 16 HE21 GLN 2 HE21 GLN 2 -1.378 -12.394 -4.757 17 HE22 GLN 2 HE22 GLN 2 -0.382 -12.954 -6.056 18 H HIS 3 HN HIS 3 -3.278 -8.382 -4.279 19 HA HIS 3 HA HIS 3 -0.877 -8.807 -2.790 20 HB2 HIS 3 HB2 HIS 3 -1.891 -6.484 -4.446 21 HB3 HIS 3 HB1 HIS 3 -0.403 -6.362 -3.515 22 HD1 HIS 3 HD1 HIS 3 0.526 -9.363 -4.231 23 HD2 HIS 3 HD2 HIS 3 -0.575 -6.381 -6.900 24 HE1 HIS 3 HE1 HIS 3 1.641 -9.943 -6.393 25 HE2 HIS 3 HE2 HIS 3 0.806 -8.237 -8.034 26 H LEU 4 HN LEU 4 -3.940 -7.617 -1.870 27 HA LEU 4 HA LEU 4 -3.374 -5.706 0.083 28 HB2 LEU 4 HB2 LEU 4 -5.526 -5.977 0.840 29 HB3 LEU 4 HB1 LEU 4 -5.705 -6.837 -0.670 30 HG LEU 4 HG LEU 4 -5.194 -8.254 1.992 31 HD11 LEU 4 HD11 LEU 4 -7.281 -6.998 2.189 32 HD12 LEU 4 HD12 LEU 4 -7.587 -8.731 2.134 33 HD13 LEU 4 HD13 LEU 4 -7.886 -7.740 0.705 34 HD21 LEU 4 HD21 LEU 4 -6.332 -9.381 -0.596 35 HD22 LEU 4 HD22 LEU 4 -6.035 -10.273 0.898 36 HD23 LEU 4 HD23 LEU 4 -4.680 -9.623 -0.019 37 H GLU 5 HN GLU 5 -2.855 -9.144 0.058 38 HA GLU 5 HA GLU 5 -2.533 -9.632 2.821 39 HB2 GLU 5 HB2 GLU 5 -3.101 -11.411 1.256 40 HB3 GLU 5 HB1 GLU 5 -1.592 -11.180 0.382 41 HG2 GLU 5 HG2 GLU 5 -0.306 -11.972 2.303 42 HG3 GLU 5 HG1 GLU 5 -1.777 -12.108 3.268 43 H ALA 6 HN ALA 6 -0.127 -9.226 0.191 44 HA ALA 6 HA ALA 6 2.145 -9.413 1.906 45 HB1 ALA 6 HB1 ALA 6 3.456 -8.714 -0.038 46 HB2 ALA 6 HB2 ALA 6 1.976 -8.269 -0.896 47 HB3 ALA 6 HB3 ALA 6 2.285 -9.956 -0.475 48 H VAL 7 HN VAL 7 0.203 -6.704 0.722 49 HA VAL 7 HA VAL 7 1.927 -4.609 1.564 50 HB VAL 7 HB VAL 7 -1.109 -4.540 1.151 51 HG11 VAL 7 HG11 VAL 7 0.844 -2.199 1.425 52 HG12 VAL 7 HG12 VAL 7 -0.329 -2.701 2.645 53 HG13 VAL 7 HG13 VAL 7 -0.889 -2.082 1.101 54 HG21 VAL 7 HG21 VAL 7 0.069 -5.066 -0.943 55 HG22 VAL 7 HG22 VAL 7 1.142 -3.679 -0.725 56 HG23 VAL 7 HG23 VAL 7 -0.585 -3.423 -1.013 57 H ARG 8 HN ARG 8 -0.857 -6.245 3.156 58 HA ARG 8 HA ARG 8 -0.818 -4.599 5.520 59 HB2 ARG 8 HB2 ARG 8 -2.478 -6.088 6.452 60 HB3 ARG 8 HB1 ARG 8 -2.865 -5.804 4.761 61 HG2 ARG 8 HG2 ARG 8 -1.799 -8.020 4.217 62 HG3 ARG 8 HG1 ARG 8 -1.632 -8.310 5.951 63 HD2 ARG 8 HD2 ARG 8 -4.080 -8.130 6.200 64 HD3 ARG 8 HD1 ARG 8 -4.241 -7.843 4.464 65 HE ARG 8 HE ARG 8 -2.887 -10.308 5.101 66 HH11 ARG 8 HH11 ARG 8 -6.042 -8.823 4.646 67 HH12 ARG 8 HH12 ARG 8 -6.837 -10.326 4.322 68 HH21 ARG 8 HH21 ARG 8 -3.969 -12.273 4.725 69 HH22 ARG 8 HH22 ARG 8 -5.662 -12.281 4.374 70 H ASN 9 HN ASN 9 0.770 -7.516 4.499 71 HA ASN 9 HA ASN 9 1.826 -8.439 6.939 72 HB2 ASN 9 HB2 ASN 9 1.874 -9.770 4.874 73 HB3 ASN 9 HB1 ASN 9 2.888 -8.576 4.085 74 HD21 ASN 9 HD21 ASN 9 4.547 -9.916 3.615 75 HD22 ASN 9 HD22 ASN 9 5.540 -10.694 4.789 76 H ILE 10 HN ILE 10 3.007 -6.157 4.496 77 HA ILE 10 HA ILE 10 5.426 -5.347 5.707 78 HB ILE 10 HB ILE 10 3.609 -3.889 3.737 79 HG12 ILE 10 HG12 ILE 10 6.189 -5.443 3.243 80 HG13 ILE 10 HG11 ILE 10 4.573 -6.057 2.944 81 HG21 ILE 10 HG21 ILE 10 5.549 -2.436 3.175 82 HG22 ILE 10 HG22 ILE 10 6.453 -3.155 4.508 83 HG23 ILE 10 HG23 ILE 10 5.005 -2.208 4.838 84 HD11 ILE 10 HD11 ILE 10 5.850 -3.714 1.548 85 HD12 ILE 10 HD12 ILE 10 4.235 -4.356 1.232 86 HD13 ILE 10 HD13 ILE 10 5.656 -5.342 0.904 87 H LEU 11 HN LEU 11 2.145 -3.927 5.860 88 HA LEU 11 HA LEU 11 2.756 -1.599 7.328 89 HB2 LEU 11 HB2 LEU 11 0.165 -3.191 7.248 90 HB3 LEU 11 HB1 LEU 11 0.306 -1.545 7.847 91 HG LEU 11 HG LEU 11 0.915 -2.332 4.973 92 HD11 LEU 11 HD11 LEU 11 -1.289 -1.449 4.375 93 HD12 LEU 11 HD12 LEU 11 -1.667 -1.206 6.083 94 HD13 LEU 11 HD13 LEU 11 -1.424 -2.837 5.453 95 HD21 LEU 11 HD21 LEU 11 0.429 0.404 6.207 96 HD22 LEU 11 HD22 LEU 11 0.729 0.066 4.503 97 HD23 LEU 11 HD23 LEU 11 1.992 -0.236 5.687 98 H GLY 12 HN GLY 12 1.705 -4.815 8.368 99 HA2 GLY 12 HA2 GLY 12 1.767 -4.223 11.180 100 HA3 GLY 12 HA1 GLY 12 1.578 -5.799 10.438 101 H ASP 13 HN ASP 13 4.136 -5.197 8.833 102 HA ASP 13 HA ASP 13 6.049 -6.306 10.679 103 HB2 ASP 13 HB2 ASP 13 6.037 -6.868 8.271 104 HB3 ASP 13 HB1 ASP 13 6.353 -5.190 7.856 105 H VAL 14 HN VAL 14 5.418 -3.135 9.237 106 HA VAL 14 HA VAL 14 7.874 -1.953 10.229 107 HB VAL 14 HB VAL 14 5.551 -0.773 8.640 108 HG11 VAL 14 HG11 VAL 14 7.011 1.193 8.221 109 HG12 VAL 14 HG12 VAL 14 8.199 0.543 9.354 110 HG13 VAL 14 HG13 VAL 14 6.604 1.023 9.928 111 HG21 VAL 14 HG21 VAL 14 6.875 -2.437 7.383 112 HG22 VAL 14 HG22 VAL 14 8.363 -1.566 7.755 113 HG23 VAL 14 HG23 VAL 14 7.136 -0.820 6.726 114 H LEU 15 HN LEU 15 4.368 -1.584 10.861 115 HA LEU 15 HA LEU 15 4.937 0.219 13.133 116 HB2 LEU 15 HB2 LEU 15 2.276 -0.381 11.791 117 HB3 LEU 15 HB1 LEU 15 2.505 0.731 13.124 118 HG LEU 15 HG LEU 15 2.384 2.199 11.330 119 HD11 LEU 15 HD11 LEU 15 4.611 3.107 10.870 120 HD12 LEU 15 HD12 LEU 15 5.361 1.645 11.504 121 HD13 LEU 15 HD13 LEU 15 4.415 2.693 12.568 122 HD21 LEU 15 HD21 LEU 15 3.359 1.861 9.092 123 HD22 LEU 15 HD22 LEU 15 2.238 0.576 9.530 124 HD23 LEU 15 HD23 LEU 15 3.975 0.286 9.599 125 H ASN 16 HN ASN 16 4.566 -3.026 12.690 126 HA ASN 16 HA ASN 16 4.390 -4.788 14.014 127 HB2 ASN 16 HB2 ASN 16 6.051 -3.468 15.352 128 HB3 ASN 16 HB1 ASN 16 4.729 -2.837 16.328 129 HD21 ASN 16 HD21 ASN 16 3.635 -4.276 17.713 130 HD22 ASN 16 HD22 ASN 16 4.353 -5.760 18.242 131 H LEU 17 HN LEU 17 2.110 -4.548 13.084 132 HA LEU 17 HA LEU 17 -0.022 -4.042 14.988 133 HB2 LEU 17 HB2 LEU 17 0.044 -4.919 12.095 134 HB3 LEU 17 HB1 LEU 17 -1.435 -5.097 13.015 135 HG LEU 17 HG LEU 17 -1.540 -2.657 13.385 136 HD11 LEU 17 HD11 LEU 17 -0.045 -1.103 12.215 137 HD12 LEU 17 HD12 LEU 17 0.950 -2.457 11.670 138 HD13 LEU 17 HD13 LEU 17 0.826 -2.083 13.391 139 HD21 LEU 17 HD21 LEU 17 -2.661 -3.626 11.410 140 HD22 LEU 17 HD22 LEU 17 -1.209 -3.352 10.443 141 HD23 LEU 17 HD23 LEU 17 -2.110 -1.979 11.095 142 H GLY 18 HN GLY 18 1.726 -6.831 13.740 143 HA2 GLY 18 HA2 GLY 18 1.972 -8.936 14.623 144 HA3 GLY 18 HA1 GLY 18 0.949 -8.462 15.973 145 H GLU 19 HN GLU 19 -1.096 -9.272 16.033 146 HA GLU 19 HA GLU 19 -2.062 -11.045 13.944 147 HB2 GLU 19 HB2 GLU 19 -3.875 -11.572 15.480 148 HB3 GLU 19 HB1 GLU 19 -2.358 -11.580 16.371 149 HG2 GLU 19 HG2 GLU 19 -2.881 -9.297 17.228 150 HG3 GLU 19 HG1 GLU 19 -4.422 -9.353 16.380 151 H ARG 20 HN ARG 20 -2.452 -7.732 14.852 152 HA ARG 20 HA ARG 20 -5.112 -7.258 13.976 153 HB2 ARG 20 HB2 ARG 20 -3.673 -5.812 15.565 154 HB3 ARG 20 HB1 ARG 20 -2.928 -5.137 14.128 155 HG2 ARG 20 HG2 ARG 20 -5.919 -4.996 14.655 156 HG3 ARG 20 HG1 ARG 20 -4.794 -3.769 15.222 157 HD2 ARG 20 HD2 ARG 20 -4.136 -3.337 12.853 158 HD3 ARG 20 HD1 ARG 20 -5.355 -4.503 12.333 159 HE ARG 20 HE ARG 20 -6.185 -2.207 13.966 160 HH11 ARG 20 HH11 ARG 20 -6.280 -3.802 10.861 161 HH12 ARG 20 HH12 ARG 20 -7.494 -2.750 10.220 162 HH21 ARG 20 HH21 ARG 20 -7.785 -0.823 13.092 163 HH22 ARG 20 HH22 ARG 20 -8.356 -1.092 11.474 164 H LYS 21 HN LYS 21 -1.979 -7.229 12.376 165 HA LYS 21 HA LYS 21 -2.753 -5.951 9.958 166 HB2 LYS 21 HB2 LYS 21 -0.654 -6.550 9.059 167 HB3 LYS 21 HB1 LYS 21 -0.371 -6.211 10.759 168 HG2 LYS 21 HG2 LYS 21 -0.225 -8.557 11.266 169 HG3 LYS 21 HG1 LYS 21 -0.719 -9.001 9.634 170 HD2 LYS 21 HD2 LYS 21 1.401 -7.779 8.836 171 HD3 LYS 21 HD1 LYS 21 1.894 -7.753 10.533 172 HE2 LYS 21 HE2 LYS 21 1.725 -10.213 10.597 173 HE3 LYS 21 HE1 LYS 21 1.253 -10.210 8.897 174 HZ1 LYS 21 HZ1 LYS 21 3.570 -10.720 9.077 175 HZ2 LYS 21 HZ2 LYS 21 3.863 -9.349 10.017 176 HZ3 LYS 21 HZ3 LYS 21 3.427 -9.178 8.393 177 H HIS 22 HN HIS 22 -3.198 -9.162 11.136 178 HA HIS 22 HA HIS 22 -3.692 -10.265 8.457 179 HB2 HIS 22 HB2 HIS 22 -2.318 -11.601 10.042 180 HB3 HIS 22 HB1 HIS 22 -3.682 -11.681 11.158 181 HD1 HIS 22 HD1 HIS 22 -2.768 -12.744 7.624 182 HD2 HIS 22 HD2 HIS 22 -5.379 -13.811 10.676 183 HE1 HIS 22 HE1 HIS 22 -3.928 -14.819 6.823 184 HE2 HIS 22 HE2 HIS 22 -5.375 -15.531 8.747 185 H THR 23 HN THR 23 -5.371 -9.563 11.488 186 HA THR 23 HA THR 23 -7.820 -10.890 10.751 187 HB THR 23 HB THR 23 -7.063 -10.763 13.123 188 HG1 THR 23 HG1 THR 23 -9.262 -9.844 13.864 189 HG21 THR 23 HG21 THR 23 -7.878 -7.836 12.990 190 HG22 THR 23 HG22 THR 23 -6.223 -8.429 13.144 191 HG23 THR 23 HG23 THR 23 -7.387 -8.721 14.434 192 H LEU 24 HN LEU 24 -6.618 -8.112 9.548 193 HA LEU 24 HA LEU 24 -9.179 -6.688 9.323 194 HB2 LEU 24 HB2 LEU 24 -7.813 -4.892 8.221 195 HB3 LEU 24 HB1 LEU 24 -7.381 -5.225 9.880 196 HG LEU 24 HG LEU 24 -5.390 -6.579 8.979 197 HD11 LEU 24 HD11 LEU 24 -6.088 -6.932 6.693 198 HD12 LEU 24 HD12 LEU 24 -4.577 -6.031 6.724 199 HD13 LEU 24 HD13 LEU 24 -6.096 -5.196 6.386 200 HD21 LEU 24 HD21 LEU 24 -3.979 -4.594 8.606 201 HD22 LEU 24 HD22 LEU 24 -5.085 -4.349 9.955 202 HD23 LEU 24 HD23 LEU 24 -5.424 -3.596 8.394 203 H THR 25 HN THR 25 -9.373 -5.664 6.971 204 HA THR 25 HA THR 25 -8.786 -7.617 4.825 205 HB THR 25 HB THR 25 -11.047 -7.068 3.814 206 HG1 THR 25 HG1 THR 25 -11.458 -5.830 6.347 207 HG21 THR 25 HG21 THR 25 -11.222 -8.361 6.559 208 HG22 THR 25 HG22 THR 25 -10.820 -9.182 5.049 209 HG23 THR 25 HG23 THR 25 -12.428 -8.496 5.274 210 H ALA 26 HN ALA 26 -9.591 -6.305 2.642 211 HA ALA 26 HA ALA 26 -7.958 -4.052 2.226 212 HB1 ALA 26 HB1 ALA 26 -8.768 -5.502 0.415 213 HB2 ALA 26 HB2 ALA 26 -9.162 -3.816 0.084 214 HB3 ALA 26 HB3 ALA 26 -10.416 -4.916 0.660 215 H SER 27 HN SER 27 -11.130 -4.332 3.578 216 HA SER 27 HA SER 27 -12.044 -1.639 3.199 217 HB2 SER 27 HB2 SER 27 -13.022 -3.714 5.207 218 HB3 SER 27 HB1 SER 27 -13.916 -2.316 4.603 219 HG SER 27 HG SER 27 -13.327 -3.501 2.453 220 H SER 28 HN SER 28 -9.630 -2.892 5.214 221 HA SER 28 HA SER 28 -10.033 -1.373 7.597 222 HB2 SER 28 HB2 SER 28 -8.559 -3.381 7.498 223 HB3 SER 28 HB1 SER 28 -7.430 -2.493 6.478 224 HG SER 28 HG SER 28 -7.984 -1.097 8.736 225 H VAL 29 HN VAL 29 -9.571 0.706 8.015 226 HA VAL 29 HA VAL 29 -8.392 2.439 5.973 227 HB VAL 29 HB VAL 29 -9.492 3.198 8.728 228 HG11 VAL 29 HG11 VAL 29 -8.975 4.941 6.284 229 HG12 VAL 29 HG12 VAL 29 -8.025 4.931 7.771 230 HG13 VAL 29 HG13 VAL 29 -9.697 5.485 7.803 231 HG21 VAL 29 HG21 VAL 29 -11.598 3.821 7.598 232 HG22 VAL 29 HG22 VAL 29 -11.263 2.100 7.420 233 HG23 VAL 29 HG23 VAL 29 -10.973 3.196 6.067 234 H LEU 30 HN LEU 30 -6.380 3.443 6.241 235 HA LEU 30 HA LEU 30 -4.642 2.283 8.332 236 HB2 LEU 30 HB2 LEU 30 -3.822 3.467 5.667 237 HB3 LEU 30 HB1 LEU 30 -2.776 2.644 6.818 238 HG LEU 30 HG LEU 30 -4.995 1.388 5.162 239 HD11 LEU 30 HD11 LEU 30 -2.000 0.998 5.084 240 HD12 LEU 30 HD12 LEU 30 -2.973 1.875 3.901 241 HD13 LEU 30 HD13 LEU 30 -3.186 0.137 4.099 242 HD21 LEU 30 HD21 LEU 30 -4.974 0.299 7.364 243 HD22 LEU 30 HD22 LEU 30 -3.232 0.042 7.247 244 HD23 LEU 30 HD23 LEU 30 -4.324 -0.787 6.138 245 H LEU 31 HN LEU 31 -4.363 5.252 6.317 246 HA LEU 31 HA LEU 31 -3.038 6.823 8.149 247 HB2 LEU 31 HB2 LEU 31 -4.971 7.643 5.949 248 HB3 LEU 31 HB1 LEU 31 -3.994 8.789 6.844 249 HG LEU 31 HG LEU 31 -2.963 6.608 5.004 250 HD11 LEU 31 HD11 LEU 31 -2.909 9.629 4.706 251 HD12 LEU 31 HD12 LEU 31 -3.932 8.507 3.803 252 HD13 LEU 31 HD13 LEU 31 -2.184 8.460 3.598 253 HD21 LEU 31 HD21 LEU 31 -0.719 7.545 5.385 254 HD22 LEU 31 HD22 LEU 31 -1.408 6.888 6.865 255 HD23 LEU 31 HD23 LEU 31 -1.376 8.633 6.610 256 H GLY 32 HN GLY 32 -3.573 7.519 10.084 257 HA2 GLY 32 HA2 GLY 32 -4.737 8.783 11.653 258 HA3 GLY 32 HA1 GLY 32 -6.167 8.757 10.633 259 H ASN 33 HN ASN 33 -6.337 5.932 10.307 260 HA ASN 33 HA ASN 33 -7.902 5.334 12.614 261 HB2 ASN 33 HB2 ASN 33 -8.650 4.658 10.396 262 HB3 ASN 33 HB1 ASN 33 -7.213 3.670 10.173 263 HD21 ASN 33 HD21 ASN 33 -7.139 1.611 11.124 264 HD22 ASN 33 HD22 ASN 33 -8.504 0.897 11.903 265 H ILE 34 HN ILE 34 -4.965 3.858 11.212 266 HA ILE 34 HA ILE 34 -4.501 2.103 13.435 267 HB ILE 34 HB ILE 34 -2.441 2.988 11.361 268 HG12 ILE 34 HG12 ILE 34 -4.375 2.015 10.169 269 HG13 ILE 34 HG11 ILE 34 -3.006 0.922 10.079 270 HG21 ILE 34 HG21 ILE 34 -1.414 1.946 13.312 271 HG22 ILE 34 HG22 ILE 34 -1.292 0.845 11.937 272 HG23 ILE 34 HG23 ILE 34 -2.502 0.563 13.195 273 HD11 ILE 34 HD11 ILE 34 -5.415 0.636 11.870 274 HD12 ILE 34 HD12 ILE 34 -4.027 -0.457 11.852 275 HD13 ILE 34 HD13 ILE 34 -5.048 -0.302 10.423 276 HA PRO 35 HA PRO 35 -2.997 5.607 15.878 277 HB2 PRO 35 HB2 PRO 35 -2.647 4.336 18.260 278 HB3 PRO 35 HB1 PRO 35 -4.262 4.635 17.598 279 HG2 PRO 35 HG2 PRO 35 -2.604 2.112 17.476 280 HG3 PRO 35 HG1 PRO 35 -4.320 2.303 17.902 281 HD2 PRO 35 HD2 PRO 35 -3.493 1.542 15.406 282 HD3 PRO 35 HD1 PRO 35 -4.982 2.464 15.674 283 H GLU 36 HN GLU 36 -1.127 3.085 14.711 284 HA GLU 36 HA GLU 36 1.380 4.034 15.950 285 HB2 GLU 36 HB2 GLU 36 0.832 1.460 14.407 286 HB3 GLU 36 HB1 GLU 36 2.338 1.886 15.217 287 HG2 GLU 36 HG2 GLU 36 -0.329 1.389 16.579 288 HG3 GLU 36 HG1 GLU 36 1.012 0.252 16.498 289 H LEU 37 HN LEU 37 -0.475 4.648 13.288 290 HA LEU 37 HA LEU 37 1.793 4.760 11.381 291 HB2 LEU 37 HB2 LEU 37 -0.431 3.423 10.896 292 HB3 LEU 37 HB1 LEU 37 -1.113 4.996 10.547 293 HG LEU 37 HG LEU 37 1.306 3.845 9.116 294 HD11 LEU 37 HD11 LEU 37 -0.166 3.341 7.218 295 HD12 LEU 37 HD12 LEU 37 -1.565 3.853 8.168 296 HD13 LEU 37 HD13 LEU 37 -0.632 2.439 8.660 297 HD21 LEU 37 HD21 LEU 37 1.237 6.285 8.992 298 HD22 LEU 37 HD22 LEU 37 -0.417 6.223 8.376 299 HD23 LEU 37 HD23 LEU 37 0.913 5.570 7.414 300 H ASP 38 HN ASP 38 2.708 6.724 11.766 301 HA ASP 38 HA ASP 38 1.059 9.180 11.665 302 HB2 ASP 38 HB2 ASP 38 2.777 10.270 12.961 303 HB3 ASP 38 HB1 ASP 38 2.503 8.719 13.746 304 H SER 39 HN SER 39 2.966 10.978 11.036 305 HA SER 39 HA SER 39 3.404 11.268 8.381 306 HB2 SER 39 HB2 SER 39 3.736 12.987 10.100 307 HB3 SER 39 HB1 SER 39 5.123 12.106 10.753 308 H MET 40 HN MET 40 6.111 10.271 10.525 309 HA MET 40 HA MET 40 7.822 9.480 8.440 310 HB2 MET 40 HB2 MET 40 7.919 8.722 11.385 311 HB3 MET 40 HB1 MET 40 9.205 8.401 10.220 312 HG2 MET 40 HG2 MET 40 8.205 11.124 11.081 313 HG3 MET 40 HG1 MET 40 9.748 10.377 11.500 314 HE1 MET 40 HE1 MET 40 11.159 12.477 10.640 315 HE2 MET 40 HE2 MET 40 9.636 13.305 10.295 316 HE3 MET 40 HE3 MET 40 10.899 13.231 9.065 317 H ALA 41 HN ALA 41 5.355 7.716 10.159 318 HA ALA 41 HA ALA 41 6.057 5.081 9.429 319 HB1 ALA 41 HB1 ALA 41 4.411 5.595 11.153 320 HB2 ALA 41 HB2 ALA 41 3.746 4.506 9.935 321 HB3 ALA 41 HB3 ALA 41 3.302 6.215 9.930 322 H VAL 42 HN VAL 42 4.101 7.563 7.687 323 HA VAL 42 HA VAL 42 3.276 5.899 5.552 324 HB VAL 42 HB VAL 42 2.602 7.773 4.293 325 HG11 VAL 42 HG11 VAL 42 1.366 7.693 6.390 326 HG12 VAL 42 HG12 VAL 42 1.506 9.355 5.818 327 HG13 VAL 42 HG13 VAL 42 2.526 8.788 7.143 328 HG21 VAL 42 HG21 VAL 42 3.461 10.111 4.487 329 HG22 VAL 42 HG22 VAL 42 4.717 8.975 3.995 330 HG23 VAL 42 HG23 VAL 42 4.665 9.557 5.652 331 H VAL 43 HN VAL 43 6.219 7.720 6.152 332 HA VAL 43 HA VAL 43 7.394 7.409 3.540 333 HB VAL 43 HB VAL 43 8.946 7.806 6.131 334 HG11 VAL 43 HG11 VAL 43 10.498 9.115 4.721 335 HG12 VAL 43 HG12 VAL 43 9.512 8.762 3.302 336 HG13 VAL 43 HG13 VAL 43 10.343 7.455 4.144 337 HG21 VAL 43 HG21 VAL 43 7.437 9.909 4.546 338 HG22 VAL 43 HG22 VAL 43 8.546 10.228 5.889 339 HG23 VAL 43 HG23 VAL 43 7.056 9.327 6.175 340 H ASN 44 HN ASN 44 7.777 5.725 6.596 341 HA ASN 44 HA ASN 44 9.745 3.868 5.980 342 HB2 ASN 44 HB2 ASN 44 7.476 3.903 7.983 343 HB3 ASN 44 HB1 ASN 44 8.579 2.526 7.905 344 HD21 ASN 44 HD21 ASN 44 8.116 4.381 10.104 345 HD22 ASN 44 HD22 ASN 44 9.642 5.104 10.461 346 H VAL 45 HN VAL 45 6.216 3.614 5.573 347 HA VAL 45 HA VAL 45 6.365 0.874 4.652 348 HB VAL 45 HB VAL 45 3.920 1.079 4.169 349 HG11 VAL 45 HG11 VAL 45 4.716 0.250 6.345 350 HG12 VAL 45 HG12 VAL 45 3.225 1.174 6.546 351 HG13 VAL 45 HG13 VAL 45 4.777 1.902 6.973 352 HG21 VAL 45 HG21 VAL 45 2.679 3.059 4.992 353 HG22 VAL 45 HG22 VAL 45 3.753 3.462 3.651 354 HG23 VAL 45 HG23 VAL 45 4.213 3.878 5.303 355 H ILE 46 HN ILE 46 6.253 4.063 3.032 356 HA ILE 46 HA ILE 46 5.795 3.131 0.383 357 HB ILE 46 HB ILE 46 7.569 5.456 1.293 358 HG12 ILE 46 HG12 ILE 46 4.768 5.569 0.081 359 HG13 ILE 46 HG11 ILE 46 5.073 5.578 1.815 360 HG21 ILE 46 HG21 ILE 46 8.273 4.752 -0.973 361 HG22 ILE 46 HG22 ILE 46 7.469 6.317 -1.042 362 HG23 ILE 46 HG23 ILE 46 6.607 4.860 -1.553 363 HD11 ILE 46 HD11 ILE 46 5.983 7.673 -0.176 364 HD12 ILE 46 HD12 ILE 46 6.316 7.689 1.559 365 HD13 ILE 46 HD13 ILE 46 4.656 7.815 0.980 366 H THR 47 HN THR 47 8.815 3.702 2.134 367 HA THR 47 HA THR 47 10.702 2.754 0.329 368 HB THR 47 HB THR 47 10.845 2.608 3.379 369 HG1 THR 47 HG1 THR 47 10.845 4.708 3.280 370 HG21 THR 47 HG21 THR 47 13.096 2.829 1.333 371 HG22 THR 47 HG22 THR 47 12.717 1.391 2.282 372 HG23 THR 47 HG23 THR 47 13.290 2.848 3.089 373 H ALA 48 HN ALA 48 9.055 1.024 2.966 374 HA ALA 48 HA ALA 48 10.280 -1.486 2.652 375 HB1 ALA 48 HB1 ALA 48 8.503 -2.334 4.103 376 HB2 ALA 48 HB2 ALA 48 7.580 -0.852 3.858 377 HB3 ALA 48 HB3 ALA 48 9.122 -0.790 4.707 378 H LEU 49 HN LEU 49 7.236 -0.203 1.253 379 HA LEU 49 HA LEU 49 6.294 -2.487 -0.057 380 HB2 LEU 49 HB2 LEU 49 5.845 0.434 -0.302 381 HB3 LEU 49 HB1 LEU 49 5.657 -0.381 -1.835 382 HG LEU 49 HG LEU 49 3.490 -0.084 -0.715 383 HD11 LEU 49 HD11 LEU 49 4.295 -2.996 -0.834 384 HD12 LEU 49 HD12 LEU 49 3.759 -2.000 -2.190 385 HD13 LEU 49 HD13 LEU 49 2.646 -2.365 -0.875 386 HD21 LEU 49 HD21 LEU 49 4.173 -0.095 1.624 387 HD22 LEU 49 HD22 LEU 49 4.585 -1.809 1.529 388 HD23 LEU 49 HD23 LEU 49 2.905 -1.288 1.350 389 H GLU 50 HN GLU 50 8.456 0.058 -1.277 390 HA GLU 50 HA GLU 50 9.099 -0.875 -3.811 391 HB2 GLU 50 HB2 GLU 50 11.079 0.511 -1.954 392 HB3 GLU 50 HB1 GLU 50 11.091 0.534 -3.709 393 HG2 GLU 50 HG2 GLU 50 8.923 1.797 -2.021 394 HG3 GLU 50 HG1 GLU 50 10.343 2.655 -2.590 395 H GLU 51 HN GLU 51 10.648 -1.641 -0.701 396 HA GLU 51 HA GLU 51 12.790 -3.217 -1.651 397 HB2 GLU 51 HB2 GLU 51 11.393 -3.277 1.057 398 HB3 GLU 51 HB1 GLU 51 12.926 -4.068 0.708 399 HG2 GLU 51 HG2 GLU 51 12.421 -1.082 0.591 400 HG3 GLU 51 HG1 GLU 51 13.197 -1.931 1.921 401 H TYR 52 HN TYR 52 9.755 -4.347 -0.083 402 HA TYR 52 HA TYR 52 10.347 -7.089 -0.307 403 HB2 TYR 52 HB2 TYR 52 7.727 -5.655 0.248 404 HB3 TYR 52 HB1 TYR 52 7.878 -7.408 0.306 405 HD1 TYR 52 HD1 TYR 52 9.741 -8.366 1.915 406 HD2 TYR 52 HD2 TYR 52 8.162 -4.412 2.243 407 HE1 TYR 52 HE1 TYR 52 10.481 -8.255 4.250 408 HE2 TYR 52 HE2 TYR 52 8.905 -4.304 4.576 409 HH TYR 52 HH TYR 52 9.445 -5.839 6.398 410 H PHE 53 HN PHE 53 8.309 -5.012 -2.406 411 HA PHE 53 HA PHE 53 7.646 -7.301 -4.126 412 HB2 PHE 53 HB2 PHE 53 6.879 -4.375 -4.249 413 HB3 PHE 53 HB1 PHE 53 6.446 -5.514 -5.514 414 HD1 PHE 53 HD2 PHE 53 5.953 -4.744 -1.883 415 HD2 PHE 53 HD1 PHE 53 4.514 -6.892 -5.290 416 HE1 PHE 53 HE2 PHE 53 3.867 -5.260 -0.694 417 HE2 PHE 53 HE1 PHE 53 2.432 -7.401 -4.084 418 HZ PHE 53 HZ PHE 53 2.102 -6.581 -1.792 419 H ASP 54 HN ASP 54 10.059 -4.780 -4.031 420 HA ASP 54 HA ASP 54 11.769 -4.151 -5.352 421 HB2 ASP 54 HB2 ASP 54 11.302 -6.889 -6.581 422 HB3 ASP 54 HB1 ASP 54 12.568 -5.824 -7.180 423 H PHE 55 HN PHE 55 9.856 -2.671 -5.863 424 HA PHE 55 HA PHE 55 9.902 -2.155 -8.751 425 HB2 PHE 55 HB2 PHE 55 7.532 -2.005 -9.023 426 HB3 PHE 55 HB1 PHE 55 7.781 -3.526 -8.179 427 HD1 PHE 55 HD1 PHE 55 7.982 -2.815 -5.361 428 HD2 PHE 55 HD2 PHE 55 5.477 -1.099 -8.360 429 HE1 PHE 55 HE1 PHE 55 6.369 -2.143 -3.639 430 HE2 PHE 55 HE2 PHE 55 3.873 -0.446 -6.626 431 HZ PHE 55 HZ PHE 55 4.316 -0.959 -4.267 432 H SER 56 HN SER 56 8.568 0.059 -9.064 433 HA SER 56 HA SER 56 9.015 1.841 -6.747 434 HB2 SER 56 HB2 SER 56 10.798 2.108 -8.522 435 HB3 SER 56 HB1 SER 56 9.543 2.644 -9.642 436 HG SER 56 HG SER 56 9.853 3.860 -7.111 437 H VAL 57 HN VAL 57 7.078 2.537 -6.056 438 HA VAL 57 HA VAL 57 4.806 3.038 -7.780 439 HB VAL 57 HB VAL 57 5.167 4.227 -4.970 440 HG11 VAL 57 HG11 VAL 57 2.693 4.126 -4.900 441 HG12 VAL 57 HG12 VAL 57 2.667 3.450 -6.533 442 HG13 VAL 57 HG13 VAL 57 3.269 5.088 -6.262 443 HG21 VAL 57 HG21 VAL 57 5.607 1.803 -4.791 444 HG22 VAL 57 HG22 VAL 57 4.058 1.461 -5.566 445 HG23 VAL 57 HG23 VAL 57 4.100 2.255 -3.987 446 H ASP 58 HN ASP 58 4.509 4.926 -8.960 447 HA ASP 58 HA ASP 58 6.617 6.838 -9.180 448 HB2 ASP 58 HB2 ASP 58 5.217 6.253 -11.105 449 HB3 ASP 58 HB1 ASP 58 3.785 6.875 -10.295 450 H ASP 59 HN ASP 59 6.804 8.924 -8.359 451 HA ASP 59 HA ASP 59 5.711 9.392 -5.810 452 HB2 ASP 59 HB2 ASP 59 7.936 10.210 -6.639 453 HB3 ASP 59 HB1 ASP 59 7.106 11.387 -7.644 454 H ASP 60 HN ASP 60 4.604 10.407 -8.980 455 HA ASP 60 HA ASP 60 2.804 12.482 -8.030 456 HB2 ASP 60 HB2 ASP 60 3.070 11.231 -10.798 457 HB3 ASP 60 HB1 ASP 60 2.064 12.625 -10.412 458 H GLU 61 HN GLU 61 2.607 9.074 -8.441 459 HA GLU 61 HA GLU 61 -0.356 9.108 -8.478 460 HB2 GLU 61 HB2 GLU 61 -0.372 6.762 -8.890 461 HB3 GLU 61 HB1 GLU 61 0.859 7.446 -9.941 462 HG2 GLU 61 HG2 GLU 61 2.614 6.654 -8.402 463 HG3 GLU 61 HG1 GLU 61 1.383 5.992 -7.334 464 H ILE 62 HN ILE 62 2.311 8.804 -6.306 465 HA ILE 62 HA ILE 62 0.907 7.587 -4.123 466 HB ILE 62 HB ILE 62 3.419 9.334 -4.039 467 HG12 ILE 62 HG12 ILE 62 3.137 6.289 -4.097 468 HG13 ILE 62 HG11 ILE 62 3.754 7.289 -5.403 469 HG21 ILE 62 HG21 ILE 62 3.826 8.314 -1.808 470 HG22 ILE 62 HG22 ILE 62 2.285 7.462 -1.916 471 HG23 ILE 62 HG23 ILE 62 2.315 9.223 -1.838 472 HD11 ILE 62 HD11 ILE 62 5.542 6.168 -4.266 473 HD12 ILE 62 HD12 ILE 62 5.054 6.856 -2.717 474 HD13 ILE 62 HD13 ILE 62 5.676 7.906 -3.997 475 H SER 63 HN SER 63 -0.773 8.522 -3.258 476 HA SER 63 HA SER 63 -0.761 11.354 -2.447 477 HB2 SER 63 HB2 SER 63 -2.321 11.060 -4.349 478 HB3 SER 63 HB1 SER 63 -3.076 9.679 -3.553 479 HG SER 63 HG SER 63 -3.691 12.251 -3.332 480 H ALA 64 HN ALA 64 -2.445 11.618 -0.602 481 HA ALA 64 HA ALA 64 -2.148 9.722 1.508 482 HB1 ALA 64 HB1 ALA 64 -3.861 11.054 2.683 483 HB2 ALA 64 HB2 ALA 64 -4.225 11.924 1.190 484 HB3 ALA 64 HB3 ALA 64 -2.643 12.098 1.950 485 H GLN 65 HN GLN 65 -4.437 10.152 -1.104 486 HA GLN 65 HA GLN 65 -6.432 8.290 -0.203 487 HB2 GLN 65 HB2 GLN 65 -5.924 9.320 -3.023 488 HB3 GLN 65 HB1 GLN 65 -7.385 8.514 -2.455 489 HG2 GLN 65 HG2 GLN 65 -6.363 11.250 -1.664 490 HG3 GLN 65 HG1 GLN 65 -7.816 10.875 -2.584 491 HE21 GLN 65 HE21 GLN 65 -6.406 11.083 0.582 492 HE22 GLN 65 HE22 GLN 65 -7.858 10.819 1.481 493 H THR 66 HN THR 66 -3.318 7.865 -1.594 494 HA THR 66 HA THR 66 -3.755 5.232 -2.711 495 HB THR 66 HB THR 66 -1.163 6.628 -1.888 496 HG1 THR 66 HG1 THR 66 -1.601 6.481 -4.560 497 HG21 THR 66 HG21 THR 66 -0.821 4.192 -2.147 498 HG22 THR 66 HG22 THR 66 -0.033 5.074 -3.456 499 HG23 THR 66 HG23 THR 66 -1.565 4.250 -3.745 500 H PHE 67 HN PHE 67 -2.858 6.647 0.406 501 HA PHE 67 HA PHE 67 -2.440 3.978 1.619 502 HB2 PHE 67 HB2 PHE 67 -1.423 6.724 2.413 503 HB3 PHE 67 HB1 PHE 67 -1.316 5.335 3.488 504 HD1 PHE 67 HD2 PHE 67 -0.203 6.605 0.138 505 HD2 PHE 67 HD1 PHE 67 0.431 3.741 3.255 506 HE1 PHE 67 HE2 PHE 67 1.889 5.885 -0.942 507 HE2 PHE 67 HE1 PHE 67 2.522 3.036 2.166 508 HZ PHE 67 HZ PHE 67 3.251 4.100 0.077 509 H GLU 68 HN GLU 68 -4.993 5.893 1.250 510 HA GLU 68 HA GLU 68 -5.861 6.458 3.892 511 HB2 GLU 68 HB2 GLU 68 -8.059 6.937 2.975 512 HB3 GLU 68 HB1 GLU 68 -6.824 7.599 1.911 513 HG2 GLU 68 HG2 GLU 68 -7.165 5.819 0.304 514 HG3 GLU 68 HG1 GLU 68 -8.260 4.978 1.398 515 H THR 69 HN THR 69 -6.481 3.652 1.762 516 HA THR 69 HA THR 69 -7.120 2.024 4.148 517 HB THR 69 HB THR 69 -8.763 0.700 2.749 518 HG1 THR 69 HG1 THR 69 -8.546 2.907 0.952 519 HG21 THR 69 HG21 THR 69 -9.529 3.620 3.103 520 HG22 THR 69 HG22 THR 69 -9.659 2.359 4.332 521 HG23 THR 69 HG23 THR 69 -10.653 2.280 2.876 522 H LEU 70 HN LEU 70 -6.765 -0.291 3.794 523 HA LEU 70 HA LEU 70 -4.370 -0.994 2.500 524 HB2 LEU 70 HB2 LEU 70 -5.310 -2.301 4.367 525 HB3 LEU 70 HB1 LEU 70 -6.680 -2.770 3.370 526 HG LEU 70 HG LEU 70 -5.054 -3.964 1.820 527 HD11 LEU 70 HD11 LEU 70 -3.014 -2.764 2.386 528 HD12 LEU 70 HD12 LEU 70 -2.810 -4.499 2.621 529 HD13 LEU 70 HD13 LEU 70 -3.043 -3.441 4.016 530 HD21 LEU 70 HD21 LEU 70 -6.354 -5.237 3.449 531 HD22 LEU 70 HD22 LEU 70 -5.122 -4.959 4.677 532 HD23 LEU 70 HD23 LEU 70 -4.744 -5.930 3.254 533 H GLY 71 HN GLY 71 -7.736 -1.122 1.473 534 HA2 GLY 71 HA2 GLY 71 -7.530 -2.623 -0.903 535 HA3 GLY 71 HA1 GLY 71 -8.773 -1.434 -0.543 536 H SER 72 HN SER 72 -6.891 0.761 -0.216 537 HA SER 72 HA SER 72 -6.669 1.691 -2.889 538 HB2 SER 72 HB2 SER 72 -5.382 2.824 -0.371 539 HB3 SER 72 HB1 SER 72 -5.611 3.673 -1.901 540 HG SER 72 HG SER 72 -7.962 2.744 -1.219 541 H LEU 73 HN LEU 73 -4.123 0.713 -0.478 542 HA LEU 73 HA LEU 73 -1.912 0.943 -2.208 543 HB2 LEU 73 HB2 LEU 73 -2.325 -0.870 0.193 544 HB3 LEU 73 HB1 LEU 73 -0.840 -0.912 -0.734 545 HG LEU 73 HG LEU 73 -0.357 0.415 1.142 546 HD11 LEU 73 HD11 LEU 73 0.510 1.360 -0.935 547 HD12 LEU 73 HD12 LEU 73 0.156 2.621 0.240 548 HD13 LEU 73 HD13 LEU 73 -0.941 2.354 -1.112 549 HD21 LEU 73 HD21 LEU 73 -2.884 1.990 0.647 550 HD22 LEU 73 HD22 LEU 73 -1.708 2.274 1.933 551 HD23 LEU 73 HD23 LEU 73 -2.639 0.780 1.907 552 H ALA 74 HN ALA 74 -3.973 -1.849 -1.493 553 HA ALA 74 HA ALA 74 -2.758 -3.830 -2.993 554 HB1 ALA 74 HB1 ALA 74 -4.946 -4.960 -3.010 555 HB2 ALA 74 HB2 ALA 74 -5.742 -3.459 -2.527 556 HB3 ALA 74 HB3 ALA 74 -4.620 -4.255 -1.424 557 H LEU 75 HN LEU 75 -5.264 -1.491 -3.973 558 HA LEU 75 HA LEU 75 -5.732 -2.281 -6.617 559 HB2 LEU 75 HB2 LEU 75 -6.687 -0.289 -4.928 560 HB3 LEU 75 HB1 LEU 75 -5.805 0.669 -6.088 561 HG LEU 75 HG LEU 75 -8.168 0.578 -6.680 562 HD11 LEU 75 HD11 LEU 75 -8.052 -0.205 -8.995 563 HD12 LEU 75 HD12 LEU 75 -6.530 -1.028 -8.651 564 HD13 LEU 75 HD13 LEU 75 -6.626 0.731 -8.548 565 HD21 LEU 75 HD21 LEU 75 -8.764 -1.525 -5.592 566 HD22 LEU 75 HD22 LEU 75 -7.873 -2.435 -6.813 567 HD23 LEU 75 HD23 LEU 75 -9.305 -1.511 -7.269 568 H PHE 76 HN PHE 76 -3.548 0.282 -5.427 569 HA PHE 76 HA PHE 76 -2.426 1.076 -7.861 570 HB2 PHE 76 HB2 PHE 76 -1.569 1.374 -4.975 571 HB3 PHE 76 HB1 PHE 76 -0.455 1.872 -6.242 572 HD1 PHE 76 HD2 PHE 76 -3.970 2.450 -5.027 573 HD2 PHE 76 HD1 PHE 76 -0.661 3.999 -7.231 574 HE1 PHE 76 HE2 PHE 76 -5.117 4.609 -5.229 575 HE2 PHE 76 HE1 PHE 76 -1.814 6.149 -7.441 576 HZ PHE 76 HZ PHE 76 -4.039 6.464 -6.447 577 H VAL 77 HN VAL 77 -1.045 -1.190 -5.445 578 HA VAL 77 HA VAL 77 1.298 -1.739 -6.968 579 HB VAL 77 HB VAL 77 1.875 -3.434 -5.323 580 HG11 VAL 77 HG11 VAL 77 2.254 -1.099 -4.659 581 HG12 VAL 77 HG12 VAL 77 1.838 -2.068 -3.245 582 HG13 VAL 77 HG13 VAL 77 0.628 -1.005 -3.971 583 HG21 VAL 77 HG21 VAL 77 -0.924 -3.133 -4.186 584 HG22 VAL 77 HG22 VAL 77 0.379 -4.092 -3.480 585 HG23 VAL 77 HG23 VAL 77 -0.297 -4.540 -5.045 586 H GLU 78 HN GLU 78 -1.905 -3.200 -6.944 587 HA GLU 78 HA GLU 78 -1.366 -5.557 -8.403 588 HB2 GLU 78 HB2 GLU 78 -3.827 -3.773 -8.371 589 HB3 GLU 78 HB1 GLU 78 -3.760 -5.257 -9.316 590 HG2 GLU 78 HG2 GLU 78 -3.362 -5.160 -6.323 591 HG3 GLU 78 HG1 GLU 78 -4.918 -5.409 -7.095 592 H HIS 79 HN HIS 79 -2.150 -2.228 -9.514 593 HA HIS 79 HA HIS 79 -1.861 -2.658 -12.295 594 HB2 HIS 79 HB2 HIS 79 -1.305 -0.134 -10.675 595 HB3 HIS 79 HB1 HIS 79 -1.281 -0.175 -12.433 596 HD1 HIS 79 HD1 HIS 79 -3.600 -0.637 -13.626 597 HD2 HIS 79 HD2 HIS 79 -3.825 0.156 -9.565 598 HE1 HIS 79 HE1 HIS 79 -5.992 -0.025 -13.197 599 HE2 HIS 79 HE2 HIS 79 -6.028 0.688 -10.788 600 H LYS 80 HN LYS 80 0.549 -1.699 -9.866 601 HA LYS 80 HA LYS 80 2.643 -1.084 -11.648 602 HB2 LYS 80 HB2 LYS 80 2.859 -1.856 -8.716 603 HB3 LYS 80 HB1 LYS 80 4.087 -1.015 -9.651 604 HG2 LYS 80 HG2 LYS 80 1.362 0.052 -8.853 605 HG3 LYS 80 HG1 LYS 80 2.926 0.564 -8.219 606 HD2 LYS 80 HD2 LYS 80 2.023 0.887 -11.102 607 HD3 LYS 80 HD1 LYS 80 1.946 2.154 -9.882 608 HE2 LYS 80 HE2 LYS 80 4.415 2.082 -9.668 609 HE3 LYS 80 HE1 LYS 80 4.475 0.821 -10.903 610 HZ1 LYS 80 HZ1 LYS 80 3.445 3.576 -11.295 611 HZ2 LYS 80 HZ2 LYS 80 3.501 2.368 -12.474 612 HZ3 LYS 80 HZ3 LYS 80 4.935 2.987 -11.835 613 H LEU 81 HN LEU 81 2.140 -3.987 -9.650 614 HA LEU 81 HA LEU 81 4.504 -5.310 -10.604 615 HB2 LEU 81 HB2 LEU 81 2.233 -6.187 -8.804 616 HB3 LEU 81 HB1 LEU 81 3.415 -7.350 -9.369 617 HG LEU 81 HG LEU 81 4.044 -6.666 -7.146 618 HD11 LEU 81 HD11 LEU 81 5.903 -7.041 -8.686 619 HD12 LEU 81 HD12 LEU 81 6.315 -5.842 -7.463 620 HD13 LEU 81 HD13 LEU 81 5.926 -5.326 -9.106 621 HD21 LEU 81 HD21 LEU 81 4.004 -3.782 -8.082 622 HD22 LEU 81 HD22 LEU 81 4.541 -4.355 -6.499 623 HD23 LEU 81 HD23 LEU 81 2.858 -4.548 -6.977 624 H SER 82 HN SER 82 1.322 -5.039 -11.883 625 HA SER 82 HA SER 82 1.598 -7.386 -13.620 626 HB2 SER 82 HB2 SER 82 -0.522 -5.213 -13.460 627 HB3 SER 82 HB1 SER 82 -0.584 -6.581 -14.573 628 HG SER 82 HG SER 82 -0.559 -6.691 -11.731 629 H HIS 83 HN HIS 83 2.920 -4.321 -13.601 630 HA HIS 83 HA HIS 83 3.339 -4.342 -16.546 631 HB2 HIS 83 HB2 HIS 83 3.019 -1.976 -14.649 632 HB3 HIS 83 HB1 HIS 83 3.810 -1.803 -16.213 633 HD1 HIS 83 HD1 HIS 83 2.332 -1.583 -18.234 634 HD2 HIS 83 HD2 HIS 83 0.192 -2.669 -14.854 635 HE1 HIS 83 HE1 HIS 83 -0.076 -1.497 -18.906 636 HE2 HIS 83 HE2 HIS 83 -1.353 -2.126 -16.836 637 H282 PNS 84 H282 PNS 84 8.848 14.831 7.356 638 H281 PNS 84 H281 PNS 84 8.246 13.342 8.073 639 H303 PNS 84 H303 PNS 84 6.408 12.002 6.851 640 H302 PNS 84 H302 PNS 84 5.419 13.425 6.529 641 H301 PNS 84 H301 PNS 84 5.974 12.418 5.191 642 H313 PNS 84 H313 PNS 84 9.567 13.401 5.303 643 H312 PNS 84 H312 PNS 84 8.898 12.006 6.163 644 H311 PNS 84 H311 PNS 84 8.357 12.372 4.524 645 H32 PNS 84 H32 PNS 84 6.787 15.738 5.658 646 H33 PNS 84 H33 PNS 84 8.568 16.427 4.773 647 H36 PNS 84 H36 PNS 84 7.777 13.364 3.129 648 H372 PNS 84 H372 PNS 84 5.741 14.030 1.257 649 H371 PNS 84 H371 PNS 84 6.765 12.585 1.231 650 H382 PNS 84 H382 PNS 84 5.265 11.723 3.161 651 H381 PNS 84 H381 PNS 84 4.145 12.992 2.692 652 H41 PNS 84 H41 PNS 84 2.971 10.822 2.710 653 H422 PNS 84 H422 PNS 84 2.040 10.202 0.155 654 H421 PNS 84 H421 PNS 84 3.207 8.954 0.614 655 H431 PNS 84 H431 PNS 84 1.924 8.488 2.646 656 H432 PNS 84 H432 PNS 84 0.933 8.282 1.195 657 H44 PNS 84 H44 PNS 84 0.228 11.233 1.734 Start of MODEL 17 1 H MET 1 HT1 MET 1 -8.978 -7.765 -5.407 2 HA MET 1 HA MET 1 -6.729 -8.361 -5.975 3 HB2 MET 1 HB2 MET 1 -7.107 -7.152 -3.200 4 HB3 MET 1 HB1 MET 1 -5.574 -7.126 -4.065 5 HG2 MET 1 HG2 MET 1 -6.682 -5.006 -4.312 6 HG3 MET 1 HG1 MET 1 -6.626 -5.834 -5.868 7 HE1 MET 1 HE1 MET 1 -8.899 -4.644 -2.873 8 HE2 MET 1 HE2 MET 1 -9.133 -6.390 -2.778 9 HE3 MET 1 HE3 MET 1 -10.461 -5.347 -3.288 10 H GLN 2 HN GLN 2 -4.866 -9.471 -5.552 11 HA GLN 2 HA GLN 2 -4.885 -11.585 -3.502 12 HB2 GLN 2 HB2 GLN 2 -2.754 -12.346 -4.793 13 HB3 GLN 2 HB1 GLN 2 -4.321 -12.625 -5.523 14 HG2 GLN 2 HG2 GLN 2 -2.931 -10.086 -6.298 15 HG3 GLN 2 HG1 GLN 2 -2.224 -11.589 -6.886 16 HE21 GLN 2 HE21 GLN 2 -4.917 -9.409 -7.160 17 HE22 GLN 2 HE22 GLN 2 -5.660 -10.183 -8.508 18 H HIS 3 HN HIS 3 -3.283 -8.598 -4.428 19 HA HIS 3 HA HIS 3 -0.841 -9.098 -3.035 20 HB2 HIS 3 HB2 HIS 3 -1.899 -6.689 -4.513 21 HB3 HIS 3 HB1 HIS 3 -0.385 -6.614 -3.619 22 HD1 HIS 3 HD1 HIS 3 0.584 -9.521 -4.441 23 HD2 HIS 3 HD2 HIS 3 -0.723 -6.559 -7.033 24 HE1 HIS 3 HE1 HIS 3 1.652 -10.029 -6.639 25 HE2 HIS 3 HE2 HIS 3 0.702 -8.342 -8.222 26 H LEU 4 HN LEU 4 -3.847 -7.695 -2.025 27 HA LEU 4 HA LEU 4 -3.072 -5.866 -0.076 28 HB2 LEU 4 HB2 LEU 4 -5.205 -6.057 0.915 29 HB3 LEU 4 HB1 LEU 4 -5.461 -6.393 -0.785 30 HG LEU 4 HG LEU 4 -5.305 -8.526 1.382 31 HD11 LEU 4 HD11 LEU 4 -7.280 -7.130 1.711 32 HD12 LEU 4 HD12 LEU 4 -7.726 -8.749 1.176 33 HD13 LEU 4 HD13 LEU 4 -7.767 -7.401 0.035 34 HD21 LEU 4 HD21 LEU 4 -6.228 -10.048 -0.328 35 HD22 LEU 4 HD22 LEU 4 -4.651 -9.417 -0.794 36 HD23 LEU 4 HD23 LEU 4 -6.117 -8.763 -1.536 37 H GLU 5 HN GLU 5 -2.884 -9.357 0.014 38 HA GLU 5 HA GLU 5 -2.666 -9.761 2.795 39 HB2 GLU 5 HB2 GLU 5 -3.210 -11.627 1.329 40 HB3 GLU 5 HB1 GLU 5 -1.689 -11.456 0.459 41 HG2 GLU 5 HG2 GLU 5 -0.430 -12.163 2.429 42 HG3 GLU 5 HG1 GLU 5 -1.906 -12.226 3.393 43 H ALA 6 HN ALA 6 -0.175 -9.402 0.247 44 HA ALA 6 HA ALA 6 2.047 -9.565 2.063 45 HB1 ALA 6 HB1 ALA 6 2.243 -10.257 -0.293 46 HB2 ALA 6 HB2 ALA 6 3.441 -9.039 0.148 47 HB3 ALA 6 HB3 ALA 6 2.024 -8.581 -0.799 48 H VAL 7 HN VAL 7 0.103 -6.926 0.739 49 HA VAL 7 HA VAL 7 1.811 -4.777 1.462 50 HB VAL 7 HB VAL 7 -1.248 -4.747 1.214 51 HG11 VAL 7 HG11 VAL 7 0.721 -2.412 1.207 52 HG12 VAL 7 HG12 VAL 7 -0.392 -2.820 2.514 53 HG13 VAL 7 HG13 VAL 7 -1.024 -2.302 0.958 54 HG21 VAL 7 HG21 VAL 7 -0.874 -3.767 -1.048 55 HG22 VAL 7 HG22 VAL 7 -0.236 -5.408 -0.924 56 HG23 VAL 7 HG23 VAL 7 0.869 -4.032 -0.869 57 H ARG 8 HN ARG 8 -0.865 -6.436 3.168 58 HA ARG 8 HA ARG 8 -0.730 -4.757 5.523 59 HB2 ARG 8 HB2 ARG 8 -2.442 -6.152 6.489 60 HB3 ARG 8 HB1 ARG 8 -2.859 -5.826 4.813 61 HG2 ARG 8 HG2 ARG 8 -1.963 -8.097 4.216 62 HG3 ARG 8 HG1 ARG 8 -1.753 -8.415 5.944 63 HD2 ARG 8 HD2 ARG 8 -4.172 -8.120 6.293 64 HD3 ARG 8 HD1 ARG 8 -4.383 -7.718 4.586 65 HE ARG 8 HE ARG 8 -3.161 -10.247 4.806 66 HH11 ARG 8 HH11 ARG 8 -6.270 -8.758 5.453 67 HH12 ARG 8 HH12 ARG 8 -7.162 -10.197 5.088 68 HH21 ARG 8 HH21 ARG 8 -4.369 -12.123 4.336 69 HH22 ARG 8 HH22 ARG 8 -6.098 -12.075 4.435 70 H ASN 9 HN ASN 9 0.761 -7.730 4.445 71 HA ASN 9 HA ASN 9 1.782 -8.679 6.898 72 HB2 ASN 9 HB2 ASN 9 1.873 -9.976 4.786 73 HB3 ASN 9 HB1 ASN 9 2.984 -8.806 4.092 74 HD21 ASN 9 HD21 ASN 9 4.609 -10.240 3.726 75 HD22 ASN 9 HD22 ASN 9 5.500 -11.051 4.957 76 H ILE 10 HN ILE 10 3.038 -6.437 4.464 77 HA ILE 10 HA ILE 10 5.423 -5.613 5.707 78 HB ILE 10 HB ILE 10 3.622 -4.178 3.700 79 HG12 ILE 10 HG12 ILE 10 6.257 -5.662 3.262 80 HG13 ILE 10 HG11 ILE 10 4.668 -6.338 2.937 81 HG21 ILE 10 HG21 ILE 10 4.954 -2.478 4.841 82 HG22 ILE 10 HG22 ILE 10 5.541 -2.687 3.194 83 HG23 ILE 10 HG23 ILE 10 6.436 -3.390 4.544 84 HD11 ILE 10 HD11 ILE 10 5.908 -3.968 1.552 85 HD12 ILE 10 HD12 ILE 10 4.301 -4.628 1.224 86 HD13 ILE 10 HD13 ILE 10 5.736 -5.601 0.910 87 H LEU 11 HN LEU 11 2.124 -4.202 5.815 88 HA LEU 11 HA LEU 11 2.736 -1.948 7.406 89 HB2 LEU 11 HB2 LEU 11 0.119 -3.473 7.114 90 HB3 LEU 11 HB1 LEU 11 0.269 -1.889 7.864 91 HG LEU 11 HG LEU 11 0.980 -2.441 4.953 92 HD11 LEU 11 HD11 LEU 11 -1.147 -1.392 4.344 93 HD12 LEU 11 HD12 LEU 11 -1.590 -1.271 6.046 94 HD13 LEU 11 HD13 LEU 11 -1.405 -2.854 5.292 95 HD21 LEU 11 HD21 LEU 11 2.117 -0.465 5.884 96 HD22 LEU 11 HD22 LEU 11 0.568 0.200 6.399 97 HD23 LEU 11 HD23 LEU 11 0.916 -0.002 4.682 98 H GLY 12 HN GLY 12 1.627 -5.206 8.286 99 HA2 GLY 12 HA2 GLY 12 1.508 -4.782 11.095 100 HA3 GLY 12 HA1 GLY 12 1.524 -6.325 10.268 101 H ASP 13 HN ASP 13 4.132 -5.453 8.907 102 HA ASP 13 HA ASP 13 5.971 -6.310 10.960 103 HB2 ASP 13 HB2 ASP 13 6.251 -7.116 8.654 104 HB3 ASP 13 HB1 ASP 13 6.412 -5.463 8.065 105 H VAL 14 HN VAL 14 5.540 -3.333 9.031 106 HA VAL 14 HA VAL 14 7.743 -1.930 10.177 107 HB VAL 14 HB VAL 14 5.346 -0.843 8.611 108 HG11 VAL 14 HG11 VAL 14 6.757 1.156 8.158 109 HG12 VAL 14 HG12 VAL 14 7.999 0.523 9.241 110 HG13 VAL 14 HG13 VAL 14 6.418 0.971 9.879 111 HG21 VAL 14 HG21 VAL 14 8.139 -1.576 7.634 112 HG22 VAL 14 HG22 VAL 14 6.859 -0.856 6.653 113 HG23 VAL 14 HG23 VAL 14 6.657 -2.477 7.312 114 H LEU 15 HN LEU 15 4.190 -1.539 10.529 115 HA LEU 15 HA LEU 15 4.478 0.352 12.722 116 HB2 LEU 15 HB2 LEU 15 1.962 -0.875 11.548 117 HB3 LEU 15 HB1 LEU 15 2.001 0.408 12.736 118 HG LEU 15 HG LEU 15 1.532 1.569 10.782 119 HD11 LEU 15 HD11 LEU 15 4.552 1.710 10.853 120 HD12 LEU 15 HD12 LEU 15 3.443 2.615 11.889 121 HD13 LEU 15 HD13 LEU 15 3.450 2.900 10.150 122 HD21 LEU 15 HD21 LEU 15 3.511 -0.126 9.239 123 HD22 LEU 15 HD22 LEU 15 2.506 1.164 8.577 124 HD23 LEU 15 HD23 LEU 15 1.754 -0.291 9.218 125 H ASN 16 HN ASN 16 4.324 -3.009 12.412 126 HA ASN 16 HA ASN 16 4.413 -4.711 13.855 127 HB2 ASN 16 HB2 ASN 16 5.934 -3.063 15.113 128 HB3 ASN 16 HB1 ASN 16 4.559 -2.697 16.140 129 HD21 ASN 16 HD21 ASN 16 6.998 -5.051 15.335 130 HD22 ASN 16 HD22 ASN 16 6.722 -6.112 16.673 131 H LEU 17 HN LEU 17 1.902 -4.100 12.920 132 HA LEU 17 HA LEU 17 -0.110 -4.107 14.941 133 HB2 LEU 17 HB2 LEU 17 -0.175 -5.089 12.059 134 HB3 LEU 17 HB1 LEU 17 -1.558 -5.258 13.115 135 HG LEU 17 HG LEU 17 -2.001 -3.353 11.777 136 HD11 LEU 17 HD11 LEU 17 -1.026 -2.255 14.430 137 HD12 LEU 17 HD12 LEU 17 -2.585 -3.031 14.141 138 HD13 LEU 17 HD13 LEU 17 -2.200 -1.510 13.344 139 HD21 LEU 17 HD21 LEU 17 -0.493 -1.444 11.489 140 HD22 LEU 17 HD22 LEU 17 0.230 -2.937 10.898 141 HD23 LEU 17 HD23 LEU 17 0.742 -2.266 12.446 142 H GLY 18 HN GLY 18 1.874 -6.615 13.469 143 HA2 GLY 18 HA2 GLY 18 2.303 -8.786 14.008 144 HA3 GLY 18 HA1 GLY 18 1.591 -8.457 15.581 145 H GLU 19 HN GLU 19 -0.548 -8.987 15.949 146 HA GLU 19 HA GLU 19 -1.705 -11.111 14.376 147 HB2 GLU 19 HB2 GLU 19 -1.705 -11.162 16.850 148 HB3 GLU 19 HB1 GLU 19 -2.644 -9.675 16.908 149 HG2 GLU 19 HG2 GLU 19 -4.537 -10.864 15.805 150 HG3 GLU 19 HG1 GLU 19 -3.594 -12.350 15.830 151 H ARG 20 HN ARG 20 -2.256 -7.676 14.899 152 HA ARG 20 HA ARG 20 -4.991 -7.599 14.106 153 HB2 ARG 20 HB2 ARG 20 -3.649 -5.910 15.588 154 HB3 ARG 20 HB1 ARG 20 -3.208 -5.145 14.072 155 HG2 ARG 20 HG2 ARG 20 -6.115 -5.632 14.752 156 HG3 ARG 20 HG1 ARG 20 -5.264 -4.260 15.448 157 HD2 ARG 20 HD2 ARG 20 -4.932 -3.257 13.303 158 HD3 ARG 20 HD1 ARG 20 -5.416 -4.730 12.455 159 HE ARG 20 HE ARG 20 -7.530 -3.845 14.106 160 HH11 ARG 20 HH11 ARG 20 -5.943 -2.713 11.193 161 HH12 ARG 20 HH12 ARG 20 -7.413 -2.157 10.465 162 HH21 ARG 20 HH21 ARG 20 -9.429 -3.097 13.157 163 HH22 ARG 20 HH22 ARG 20 -9.388 -2.364 11.586 164 H LYS 21 HN LYS 21 -2.025 -7.498 12.286 165 HA LYS 21 HA LYS 21 -2.967 -6.209 9.947 166 HB2 LYS 21 HB2 LYS 21 -1.012 -6.963 8.829 167 HB3 LYS 21 HB1 LYS 21 -0.548 -6.566 10.480 168 HG2 LYS 21 HG2 LYS 21 -0.544 -8.928 11.073 169 HG3 LYS 21 HG1 LYS 21 -1.092 -9.363 9.454 170 HD2 LYS 21 HD2 LYS 21 1.037 -8.272 8.579 171 HD3 LYS 21 HD1 LYS 21 1.579 -8.165 10.259 172 HE2 LYS 21 HE2 LYS 21 1.255 -10.646 10.428 173 HE3 LYS 21 HE1 LYS 21 0.921 -10.662 8.697 174 HZ1 LYS 21 HZ1 LYS 21 3.456 -9.821 9.998 175 HZ2 LYS 21 HZ2 LYS 21 3.144 -9.703 8.349 176 HZ3 LYS 21 HZ3 LYS 21 3.205 -11.218 9.085 177 H HIS 22 HN HIS 22 -3.339 -9.456 11.136 178 HA HIS 22 HA HIS 22 -4.074 -10.578 8.555 179 HB2 HIS 22 HB2 HIS 22 -2.751 -11.837 10.342 180 HB3 HIS 22 HB1 HIS 22 -4.237 -11.931 11.279 181 HD1 HIS 22 HD1 HIS 22 -5.928 -13.726 10.573 182 HD2 HIS 22 HD2 HIS 22 -2.739 -13.365 7.947 183 HE1 HIS 22 HE1 HIS 22 -6.118 -15.677 9.011 184 HE2 HIS 22 HE2 HIS 22 -4.062 -15.546 7.572 185 H THR 23 HN THR 23 -5.656 -9.298 11.407 186 HA THR 23 HA THR 23 -8.252 -10.485 10.817 187 HB THR 23 HB THR 23 -7.476 -10.203 13.201 188 HG1 THR 23 HG1 THR 23 -9.881 -8.785 12.591 189 HG21 THR 23 HG21 THR 23 -6.474 -7.936 13.003 190 HG22 THR 23 HG22 THR 23 -7.668 -8.026 14.296 191 HG23 THR 23 HG23 THR 23 -8.080 -7.259 12.760 192 H LEU 24 HN LEU 24 -6.592 -7.766 9.730 193 HA LEU 24 HA LEU 24 -9.036 -6.196 9.222 194 HB2 LEU 24 HB2 LEU 24 -7.544 -4.389 8.473 195 HB3 LEU 24 HB1 LEU 24 -7.208 -4.894 10.104 196 HG LEU 24 HG LEU 24 -5.205 -6.221 9.091 197 HD11 LEU 24 HD11 LEU 24 -5.695 -4.332 6.779 198 HD12 LEU 24 HD12 LEU 24 -5.798 -6.095 6.735 199 HD13 LEU 24 HD13 LEU 24 -4.247 -5.315 7.029 200 HD21 LEU 24 HD21 LEU 24 -5.128 -3.186 9.084 201 HD22 LEU 24 HD22 LEU 24 -3.728 -4.258 9.183 202 HD23 LEU 24 HD23 LEU 24 -4.908 -4.230 10.491 203 H THR 25 HN THR 25 -9.598 -5.547 7.084 204 HA THR 25 HA THR 25 -8.753 -7.433 4.946 205 HB THR 25 HB THR 25 -11.007 -7.085 3.948 206 HG1 THR 25 HG1 THR 25 -11.917 -5.779 6.272 207 HG21 THR 25 HG21 THR 25 -12.398 -8.269 5.603 208 HG22 THR 25 HG22 THR 25 -11.229 -7.899 6.871 209 HG23 THR 25 HG23 THR 25 -10.777 -8.965 5.540 210 H ALA 26 HN ALA 26 -9.575 -6.285 2.697 211 HA ALA 26 HA ALA 26 -7.959 -4.047 2.149 212 HB1 ALA 26 HB1 ALA 26 -8.710 -5.611 0.412 213 HB2 ALA 26 HB2 ALA 26 -9.162 -3.959 -0.004 214 HB3 ALA 26 HB3 ALA 26 -10.378 -5.073 0.624 215 H SER 27 HN SER 27 -11.147 -4.287 3.488 216 HA SER 27 HA SER 27 -11.997 -1.573 2.968 217 HB2 SER 27 HB2 SER 27 -13.163 -3.750 4.756 218 HB3 SER 27 HB1 SER 27 -13.951 -2.218 4.380 219 HG SER 27 HG SER 27 -13.943 -2.822 2.187 220 H SER 28 HN SER 28 -9.675 -2.701 5.073 221 HA SER 28 HA SER 28 -10.352 -1.125 7.417 222 HB2 SER 28 HB2 SER 28 -9.023 -3.232 7.605 223 HB3 SER 28 HB1 SER 28 -7.717 -2.479 6.698 224 HG SER 28 HG SER 28 -8.441 -0.912 8.793 225 H VAL 29 HN VAL 29 -9.617 0.877 7.926 226 HA VAL 29 HA VAL 29 -8.240 2.510 5.937 227 HB VAL 29 HB VAL 29 -9.359 3.285 8.683 228 HG11 VAL 29 HG11 VAL 29 -9.308 5.622 7.859 229 HG12 VAL 29 HG12 VAL 29 -8.552 5.079 6.360 230 HG13 VAL 29 HG13 VAL 29 -7.692 4.913 7.891 231 HG21 VAL 29 HG21 VAL 29 -10.680 3.550 5.958 232 HG22 VAL 29 HG22 VAL 29 -11.323 4.179 7.477 233 HG23 VAL 29 HG23 VAL 29 -11.152 2.440 7.246 234 H LEU 30 HN LEU 30 -6.220 3.489 6.315 235 HA LEU 30 HA LEU 30 -4.561 2.299 8.466 236 HB2 LEU 30 HB2 LEU 30 -3.626 3.555 5.857 237 HB3 LEU 30 HB1 LEU 30 -2.637 2.687 7.024 238 HG LEU 30 HG LEU 30 -4.831 1.467 5.296 239 HD11 LEU 30 HD11 LEU 30 -3.011 0.291 4.159 240 HD12 LEU 30 HD12 LEU 30 -1.824 1.135 5.156 241 HD13 LEU 30 HD13 LEU 30 -2.828 2.039 4.021 242 HD21 LEU 30 HD21 LEU 30 -4.092 -0.727 6.179 243 HD22 LEU 30 HD22 LEU 30 -4.741 0.295 7.456 244 HD23 LEU 30 HD23 LEU 30 -2.995 0.086 7.300 245 H LEU 31 HN LEU 31 -4.290 5.276 6.489 246 HA LEU 31 HA LEU 31 -3.037 6.923 8.287 247 HB2 LEU 31 HB2 LEU 31 -4.881 7.432 5.955 248 HB3 LEU 31 HB1 LEU 31 -4.354 8.796 6.922 249 HG LEU 31 HG LEU 31 -2.421 6.887 5.566 250 HD11 LEU 31 HD11 LEU 31 -2.098 8.608 3.856 251 HD12 LEU 31 HD12 LEU 31 -3.388 9.582 4.568 252 HD13 LEU 31 HD13 LEU 31 -3.755 8.009 3.853 253 HD21 LEU 31 HD21 LEU 31 -0.771 8.675 5.961 254 HD22 LEU 31 HD22 LEU 31 -1.458 8.096 7.475 255 HD23 LEU 31 HD23 LEU 31 -1.996 9.635 6.798 256 H GLY 32 HN GLY 32 -3.589 7.474 10.282 257 HA2 GLY 32 HA2 GLY 32 -4.701 8.669 11.921 258 HA3 GLY 32 HA1 GLY 32 -6.077 8.865 10.852 259 H ASN 33 HN ASN 33 -6.214 5.893 10.421 260 HA ASN 33 HA ASN 33 -7.921 5.227 12.633 261 HB2 ASN 33 HB2 ASN 33 -8.529 4.541 10.372 262 HB3 ASN 33 HB1 ASN 33 -7.027 3.640 10.199 263 HD21 ASN 33 HD21 ASN 33 -6.936 1.540 10.975 264 HD22 ASN 33 HD22 ASN 33 -8.272 0.740 11.722 265 H ILE 34 HN ILE 34 -5.059 3.593 11.233 266 HA ILE 34 HA ILE 34 -4.453 2.105 13.604 267 HB ILE 34 HB ILE 34 -2.591 2.768 11.275 268 HG12 ILE 34 HG12 ILE 34 -4.600 1.625 10.395 269 HG13 ILE 34 HG11 ILE 34 -3.224 0.533 10.325 270 HG21 ILE 34 HG21 ILE 34 -1.330 0.737 11.956 271 HG22 ILE 34 HG22 ILE 34 -2.389 0.571 13.361 272 HG23 ILE 34 HG23 ILE 34 -1.340 1.981 13.210 273 HD11 ILE 34 HD11 ILE 34 -5.219 -0.641 11.028 274 HD12 ILE 34 HD12 ILE 34 -5.446 0.480 12.370 275 HD13 ILE 34 HD13 ILE 34 -4.052 -0.606 12.353 276 HA PRO 35 HA PRO 35 -2.823 5.779 15.678 277 HB2 PRO 35 HB2 PRO 35 -1.921 4.619 17.990 278 HB3 PRO 35 HB1 PRO 35 -3.644 4.841 17.650 279 HG2 PRO 35 HG2 PRO 35 -1.950 2.371 17.305 280 HG3 PRO 35 HG1 PRO 35 -3.575 2.526 18.005 281 HD2 PRO 35 HD2 PRO 35 -3.157 1.679 15.447 282 HD3 PRO 35 HD1 PRO 35 -4.604 2.590 15.916 283 H GLU 36 HN GLU 36 -0.958 3.184 14.501 284 HA GLU 36 HA GLU 36 1.636 4.288 15.264 285 HB2 GLU 36 HB2 GLU 36 1.101 1.850 13.532 286 HB3 GLU 36 HB1 GLU 36 2.555 2.221 14.452 287 HG2 GLU 36 HG2 GLU 36 -0.144 1.385 15.560 288 HG3 GLU 36 HG1 GLU 36 1.313 0.400 15.483 289 H LEU 37 HN LEU 37 -0.617 4.380 12.650 290 HA LEU 37 HA LEU 37 1.340 4.729 10.504 291 HB2 LEU 37 HB2 LEU 37 -1.070 3.560 10.418 292 HB3 LEU 37 HB1 LEU 37 -1.632 5.191 10.138 293 HG LEU 37 HG LEU 37 -1.462 4.045 8.007 294 HD11 LEU 37 HD11 LEU 37 0.876 5.962 8.150 295 HD12 LEU 37 HD12 LEU 37 -0.819 6.420 7.960 296 HD13 LEU 37 HD13 LEU 37 -0.017 5.478 6.703 297 HD21 LEU 37 HD21 LEU 37 1.433 3.438 8.648 298 HD22 LEU 37 HD22 LEU 37 0.607 3.075 7.129 299 HD23 LEU 37 HD23 LEU 37 0.100 2.277 8.617 300 H ASP 38 HN ASP 38 2.366 6.598 11.402 301 HA ASP 38 HA ASP 38 0.929 9.187 11.306 302 HB2 ASP 38 HB2 ASP 38 1.950 8.266 13.519 303 HB3 ASP 38 HB1 ASP 38 3.525 8.522 12.788 304 H SER 39 HN SER 39 3.182 10.863 11.118 305 HA SER 39 HA SER 39 3.493 11.278 8.440 306 HB2 SER 39 HB2 SER 39 3.850 12.980 10.189 307 HB3 SER 39 HB1 SER 39 5.312 12.150 10.713 308 H MET 40 HN MET 40 6.360 10.370 10.408 309 HA MET 40 HA MET 40 7.938 9.610 8.187 310 HB2 MET 40 HB2 MET 40 8.311 8.886 11.121 311 HB3 MET 40 HB1 MET 40 9.529 8.704 9.860 312 HG2 MET 40 HG2 MET 40 8.338 11.314 10.837 313 HG3 MET 40 HG1 MET 40 9.961 10.710 11.173 314 HE1 MET 40 HE1 MET 40 10.877 9.550 8.297 315 HE2 MET 40 HE2 MET 40 11.902 10.559 9.320 316 HE3 MET 40 HE3 MET 40 11.663 10.978 7.623 317 H ALA 41 HN ALA 41 5.623 7.884 10.084 318 HA ALA 41 HA ALA 41 6.306 5.221 9.415 319 HB1 ALA 41 HB1 ALA 41 4.787 5.785 11.264 320 HB2 ALA 41 HB2 ALA 41 4.053 4.639 10.145 321 HB3 ALA 41 HB3 ALA 41 3.578 6.334 10.105 322 H VAL 42 HN VAL 42 4.280 7.671 7.699 323 HA VAL 42 HA VAL 42 3.351 5.904 5.671 324 HB VAL 42 HB VAL 42 2.606 7.715 4.364 325 HG11 VAL 42 HG11 VAL 42 2.532 8.777 7.194 326 HG12 VAL 42 HG12 VAL 42 1.395 7.638 6.472 327 HG13 VAL 42 HG13 VAL 42 1.483 9.296 5.874 328 HG21 VAL 42 HG21 VAL 42 4.684 8.980 4.023 329 HG22 VAL 42 HG22 VAL 42 4.605 9.611 5.659 330 HG23 VAL 42 HG23 VAL 42 3.384 10.078 4.483 331 H VAL 43 HN VAL 43 6.260 7.824 6.074 332 HA VAL 43 HA VAL 43 7.362 7.435 3.452 333 HB VAL 43 HB VAL 43 8.935 7.916 6.017 334 HG11 VAL 43 HG11 VAL 43 10.522 9.124 4.567 335 HG12 VAL 43 HG12 VAL 43 9.557 8.702 3.149 336 HG13 VAL 43 HG13 VAL 43 10.355 7.434 4.083 337 HG21 VAL 43 HG21 VAL 43 7.078 9.467 5.957 338 HG22 VAL 43 HG22 VAL 43 7.466 9.940 4.297 339 HG23 VAL 43 HG23 VAL 43 8.580 10.332 5.616 340 H ASN 44 HN ASN 44 7.797 5.794 6.518 341 HA ASN 44 HA ASN 44 9.736 3.908 5.822 342 HB2 ASN 44 HB2 ASN 44 7.673 4.118 8.014 343 HB3 ASN 44 HB1 ASN 44 8.671 2.663 7.895 344 HD21 ASN 44 HD21 ASN 44 8.519 4.851 9.934 345 HD22 ASN 44 HD22 ASN 44 10.143 5.403 10.120 346 H VAL 45 HN VAL 45 6.198 3.725 5.583 347 HA VAL 45 HA VAL 45 6.243 0.923 4.814 348 HB VAL 45 HB VAL 45 3.792 1.155 4.401 349 HG11 VAL 45 HG11 VAL 45 3.179 1.474 6.780 350 HG12 VAL 45 HG12 VAL 45 4.767 2.177 7.100 351 HG13 VAL 45 HG13 VAL 45 4.629 0.487 6.609 352 HG21 VAL 45 HG21 VAL 45 4.169 4.024 5.322 353 HG22 VAL 45 HG22 VAL 45 2.616 3.215 5.082 354 HG23 VAL 45 HG23 VAL 45 3.683 3.504 3.704 355 H ILE 46 HN ILE 46 6.117 4.028 3.077 356 HA ILE 46 HA ILE 46 5.579 3.012 0.484 357 HB ILE 46 HB ILE 46 7.345 5.388 1.290 358 HG12 ILE 46 HG12 ILE 46 4.525 5.399 0.114 359 HG13 ILE 46 HG11 ILE 46 4.857 5.501 1.839 360 HG21 ILE 46 HG21 ILE 46 8.044 4.616 -0.951 361 HG22 ILE 46 HG22 ILE 46 7.207 6.158 -1.073 362 HG23 ILE 46 HG23 ILE 46 6.373 4.670 -1.519 363 HD11 ILE 46 HD11 ILE 46 5.701 7.505 -0.260 364 HD12 ILE 46 HD12 ILE 46 6.025 7.621 1.474 365 HD13 ILE 46 HD13 ILE 46 4.366 7.674 0.880 366 H THR 47 HN THR 47 8.666 3.663 2.109 367 HA THR 47 HA THR 47 10.462 2.619 0.260 368 HB THR 47 HB THR 47 10.781 2.652 3.298 369 HG1 THR 47 HG1 THR 47 11.186 4.744 3.135 370 HG21 THR 47 HG21 THR 47 13.190 2.901 2.839 371 HG22 THR 47 HG22 THR 47 12.887 2.798 1.102 372 HG23 THR 47 HG23 THR 47 12.587 1.399 2.138 373 H ALA 48 HN ALA 48 8.901 1.038 3.024 374 HA ALA 48 HA ALA 48 10.082 -1.486 2.874 375 HB1 ALA 48 HB1 ALA 48 8.212 -2.267 4.233 376 HB2 ALA 48 HB2 ALA 48 7.305 -0.799 3.860 377 HB3 ALA 48 HB3 ALA 48 8.793 -0.702 4.806 378 H LEU 49 HN LEU 49 6.995 -0.385 1.396 379 HA LEU 49 HA LEU 49 6.231 -2.686 0.036 380 HB2 LEU 49 HB2 LEU 49 5.714 0.232 -0.270 381 HB3 LEU 49 HB1 LEU 49 5.495 -0.663 -1.753 382 HG LEU 49 HG LEU 49 3.370 -0.317 -0.543 383 HD11 LEU 49 HD11 LEU 49 2.522 -2.598 -0.636 384 HD12 LEU 49 HD12 LEU 49 4.168 -3.229 -0.661 385 HD13 LEU 49 HD13 LEU 49 3.577 -2.247 -2.001 386 HD21 LEU 49 HD21 LEU 49 4.150 -0.301 1.762 387 HD22 LEU 49 HD22 LEU 49 4.546 -2.017 1.675 388 HD23 LEU 49 HD23 LEU 49 2.866 -1.485 1.554 389 H GLU 50 HN GLU 50 8.378 -0.071 -1.072 390 HA GLU 50 HA GLU 50 9.014 -0.975 -3.637 391 HB2 GLU 50 HB2 GLU 50 10.952 0.535 -1.835 392 HB3 GLU 50 HB1 GLU 50 10.896 0.558 -3.590 393 HG2 GLU 50 HG2 GLU 50 8.725 1.684 -1.822 394 HG3 GLU 50 HG1 GLU 50 10.069 2.630 -2.430 395 H GLU 51 HN GLU 51 10.589 -1.681 -0.533 396 HA GLU 51 HA GLU 51 12.834 -3.074 -1.546 397 HB2 GLU 51 HB2 GLU 51 11.562 -3.010 1.214 398 HB3 GLU 51 HB1 GLU 51 13.058 -3.876 0.879 399 HG2 GLU 51 HG2 GLU 51 12.652 -0.894 0.479 400 HG3 GLU 51 HG1 GLU 51 13.413 -1.629 1.887 401 H TYR 52 HN TYR 52 9.809 -4.314 -0.092 402 HA TYR 52 HA TYR 52 10.576 -7.052 -0.297 403 HB2 TYR 52 HB2 TYR 52 7.865 -5.793 0.267 404 HB3 TYR 52 HB1 TYR 52 8.152 -7.532 0.313 405 HD1 TYR 52 HD1 TYR 52 10.089 -8.351 1.929 406 HD2 TYR 52 HD2 TYR 52 8.190 -4.541 2.279 407 HE1 TYR 52 HE1 TYR 52 10.853 -8.169 4.259 408 HE2 TYR 52 HE2 TYR 52 8.955 -4.363 4.597 409 HH TYR 52 HH TYR 52 9.647 -5.849 6.414 410 H PHE 53 HN PHE 53 8.556 -4.984 -2.413 411 HA PHE 53 HA PHE 53 7.975 -7.255 -4.189 412 HB2 PHE 53 HB2 PHE 53 7.085 -4.362 -4.223 413 HB3 PHE 53 HB1 PHE 53 6.717 -5.474 -5.533 414 HD1 PHE 53 HD2 PHE 53 6.105 -4.788 -1.911 415 HD2 PHE 53 HD1 PHE 53 4.866 -6.989 -5.358 416 HE1 PHE 53 HE2 PHE 53 4.017 -5.433 -0.763 417 HE2 PHE 53 HE1 PHE 53 2.788 -7.628 -4.207 418 HZ PHE 53 HZ PHE 53 2.363 -6.848 -1.910 419 H ASP 54 HN ASP 54 10.366 -4.787 -3.950 420 HA ASP 54 HA ASP 54 11.982 -3.916 -5.253 421 HB2 ASP 54 HB2 ASP 54 11.688 -6.522 -6.792 422 HB3 ASP 54 HB1 ASP 54 12.978 -5.368 -7.094 423 H PHE 55 HN PHE 55 10.067 -2.440 -5.744 424 HA PHE 55 HA PHE 55 10.107 -1.846 -8.617 425 HB2 PHE 55 HB2 PHE 55 7.734 -1.730 -8.904 426 HB3 PHE 55 HB1 PHE 55 8.016 -3.271 -8.113 427 HD1 PHE 55 HD1 PHE 55 8.101 -2.796 -5.303 428 HD2 PHE 55 HD2 PHE 55 5.717 -0.785 -8.206 429 HE1 PHE 55 HE1 PHE 55 6.452 -2.240 -3.575 430 HE2 PHE 55 HE2 PHE 55 4.077 -0.238 -6.467 431 HZ PHE 55 HZ PHE 55 4.441 -0.959 -4.148 432 H SER 56 HN SER 56 8.731 0.381 -8.863 433 HA SER 56 HA SER 56 8.989 2.018 -6.423 434 HB2 SER 56 HB2 SER 56 10.909 2.515 -7.942 435 HB3 SER 56 HB1 SER 56 9.768 3.012 -9.192 436 HG SER 56 HG SER 56 9.546 4.168 -6.645 437 H VAL 57 HN VAL 57 6.978 2.605 -5.852 438 HA VAL 57 HA VAL 57 4.803 3.122 -7.652 439 HB VAL 57 HB VAL 57 5.028 4.397 -4.878 440 HG11 VAL 57 HG11 VAL 57 2.567 4.129 -4.844 441 HG12 VAL 57 HG12 VAL 57 2.619 3.401 -6.453 442 HG13 VAL 57 HG13 VAL 57 3.105 5.083 -6.226 443 HG21 VAL 57 HG21 VAL 57 5.615 2.022 -4.565 444 HG22 VAL 57 HG22 VAL 57 4.113 1.539 -5.352 445 HG23 VAL 57 HG23 VAL 57 4.066 2.417 -3.821 446 H ASP 58 HN ASP 58 4.395 5.053 -8.799 447 HA ASP 58 HA ASP 58 6.580 6.913 -9.024 448 HB2 ASP 58 HB2 ASP 58 5.242 6.200 -10.999 449 HB3 ASP 58 HB1 ASP 58 3.822 7.008 -10.337 450 H ASP 59 HN ASP 59 6.663 9.067 -8.440 451 HA ASP 59 HA ASP 59 5.622 9.967 -6.065 452 HB2 ASP 59 HB2 ASP 59 7.590 10.970 -7.080 453 HB3 ASP 59 HB1 ASP 59 6.657 11.537 -8.460 454 H ASP 60 HN ASP 60 4.343 10.574 -9.328 455 HA ASP 60 HA ASP 60 2.443 12.568 -8.584 456 HB2 ASP 60 HB2 ASP 60 3.402 12.401 -10.851 457 HB3 ASP 60 HB1 ASP 60 2.614 10.846 -11.090 458 H GLU 61 HN GLU 61 2.345 9.109 -8.438 459 HA GLU 61 HA GLU 61 -0.618 9.073 -8.293 460 HB2 GLU 61 HB2 GLU 61 -0.579 6.703 -8.609 461 HB3 GLU 61 HB1 GLU 61 0.505 7.405 -9.805 462 HG2 GLU 61 HG2 GLU 61 2.437 6.765 -8.386 463 HG3 GLU 61 HG1 GLU 61 1.333 6.023 -7.237 464 H ILE 62 HN ILE 62 2.224 8.896 -6.293 465 HA ILE 62 HA ILE 62 0.973 7.655 -4.003 466 HB ILE 62 HB ILE 62 3.511 9.364 -4.086 467 HG12 ILE 62 HG12 ILE 62 3.197 6.328 -4.098 468 HG13 ILE 62 HG11 ILE 62 3.727 7.306 -5.456 469 HG21 ILE 62 HG21 ILE 62 2.545 9.270 -1.821 470 HG22 ILE 62 HG22 ILE 62 4.047 8.357 -1.880 471 HG23 ILE 62 HG23 ILE 62 2.497 7.507 -1.886 472 HD11 ILE 62 HD11 ILE 62 5.203 6.906 -2.859 473 HD12 ILE 62 HD12 ILE 62 5.736 7.935 -4.194 474 HD13 ILE 62 HD13 ILE 62 5.583 6.193 -4.428 475 H SER 63 HN SER 63 -0.590 8.615 -2.886 476 HA SER 63 HA SER 63 -0.255 11.352 -1.877 477 HB2 SER 63 HB2 SER 63 -1.763 11.553 -3.837 478 HB3 SER 63 HB1 SER 63 -2.804 10.281 -3.199 479 HG SER 63 HG SER 63 -2.290 12.821 -2.029 480 H ALA 64 HN ALA 64 -2.046 11.697 -0.135 481 HA ALA 64 HA ALA 64 -2.164 9.746 1.880 482 HB1 ALA 64 HB1 ALA 64 -2.620 12.138 2.284 483 HB2 ALA 64 HB2 ALA 64 -3.955 11.140 2.857 484 HB3 ALA 64 HB3 ALA 64 -4.104 12.026 1.336 485 H GLN 65 HN GLN 65 -4.200 10.406 -0.901 486 HA GLN 65 HA GLN 65 -6.404 8.708 -0.281 487 HB2 GLN 65 HB2 GLN 65 -5.454 9.735 -2.991 488 HB3 GLN 65 HB1 GLN 65 -7.038 9.044 -2.653 489 HG2 GLN 65 HG2 GLN 65 -5.923 11.641 -1.559 490 HG3 GLN 65 HG1 GLN 65 -7.203 11.463 -2.755 491 HE21 GLN 65 HE21 GLN 65 -6.397 11.286 0.636 492 HE22 GLN 65 HE22 GLN 65 -8.011 11.154 1.227 493 H THR 66 HN THR 66 -3.229 8.020 -1.423 494 HA THR 66 HA THR 66 -3.812 5.437 -2.590 495 HB THR 66 HB THR 66 -1.132 6.617 -1.711 496 HG1 THR 66 HG1 THR 66 -1.722 6.591 -4.397 497 HG21 THR 66 HG21 THR 66 -0.146 5.045 -3.366 498 HG22 THR 66 HG22 THR 66 -1.745 4.367 -3.670 499 HG23 THR 66 HG23 THR 66 -0.995 4.178 -2.085 500 H PHE 67 HN PHE 67 -2.712 6.752 0.532 501 HA PHE 67 HA PHE 67 -2.500 4.038 1.700 502 HB2 PHE 67 HB2 PHE 67 -1.272 6.695 2.506 503 HB3 PHE 67 HB1 PHE 67 -1.255 5.290 3.568 504 HD1 PHE 67 HD2 PHE 67 -0.215 6.379 0.122 505 HD2 PHE 67 HD1 PHE 67 0.485 3.683 3.371 506 HE1 PHE 67 HE2 PHE 67 1.795 5.525 -1.011 507 HE2 PHE 67 HE1 PHE 67 2.491 2.842 2.225 508 HZ PHE 67 HZ PHE 67 3.147 3.751 0.044 509 H GLU 68 HN GLU 68 -4.938 5.968 1.324 510 HA GLU 68 HA GLU 68 -5.968 6.528 3.885 511 HB2 GLU 68 HB2 GLU 68 -8.194 6.691 2.810 512 HB3 GLU 68 HB1 GLU 68 -6.965 7.542 1.888 513 HG2 GLU 68 HG2 GLU 68 -6.895 5.787 0.228 514 HG3 GLU 68 HG1 GLU 68 -7.950 4.769 1.199 515 H THR 69 HN THR 69 -6.368 3.643 1.805 516 HA THR 69 HA THR 69 -7.090 2.023 4.173 517 HB THR 69 HB THR 69 -8.772 0.780 2.802 518 HG1 THR 69 HG1 THR 69 -8.566 2.915 0.923 519 HG21 THR 69 HG21 THR 69 -10.601 2.446 2.817 520 HG22 THR 69 HG22 THR 69 -9.421 3.747 2.987 521 HG23 THR 69 HG23 THR 69 -9.622 2.568 4.281 522 H LEU 70 HN LEU 70 -6.657 -0.275 3.910 523 HA LEU 70 HA LEU 70 -4.274 -1.036 2.670 524 HB2 LEU 70 HB2 LEU 70 -5.289 -2.365 4.474 525 HB3 LEU 70 HB1 LEU 70 -6.663 -2.764 3.452 526 HG LEU 70 HG LEU 70 -5.038 -3.977 1.895 527 HD11 LEU 70 HD11 LEU 70 -2.856 -4.646 2.756 528 HD12 LEU 70 HD12 LEU 70 -3.085 -3.611 4.170 529 HD13 LEU 70 HD13 LEU 70 -2.974 -2.897 2.558 530 HD21 LEU 70 HD21 LEU 70 -6.442 -5.264 3.409 531 HD22 LEU 70 HD22 LEU 70 -5.269 -5.071 4.708 532 HD23 LEU 70 HD23 LEU 70 -4.851 -6.010 3.275 533 H GLY 71 HN GLY 71 -7.599 -1.212 1.538 534 HA2 GLY 71 HA2 GLY 71 -7.313 -2.748 -0.776 535 HA3 GLY 71 HA1 GLY 71 -8.570 -1.558 -0.500 536 H SER 72 HN SER 72 -6.979 0.752 -0.287 537 HA SER 72 HA SER 72 -6.688 1.519 -2.972 538 HB2 SER 72 HB2 SER 72 -5.566 2.844 -0.471 539 HB3 SER 72 HB1 SER 72 -5.712 3.605 -2.063 540 HG SER 72 HG SER 72 -8.018 2.441 -1.047 541 H LEU 73 HN LEU 73 -4.162 0.630 -0.536 542 HA LEU 73 HA LEU 73 -1.944 0.887 -2.282 543 HB2 LEU 73 HB2 LEU 73 -2.327 -0.878 0.166 544 HB3 LEU 73 HB1 LEU 73 -0.831 -0.865 -0.748 545 HG LEU 73 HG LEU 73 -0.409 0.522 1.096 546 HD11 LEU 73 HD11 LEU 73 -1.125 2.390 -1.176 547 HD12 LEU 73 HD12 LEU 73 0.385 1.489 -0.995 548 HD13 LEU 73 HD13 LEU 73 -0.036 2.740 0.169 549 HD21 LEU 73 HD21 LEU 73 -2.707 0.772 1.889 550 HD22 LEU 73 HD22 LEU 73 -3.029 1.953 0.615 551 HD23 LEU 73 HD23 LEU 73 -1.853 2.316 1.883 552 H ALA 74 HN ALA 74 -4.125 -1.805 -1.612 553 HA ALA 74 HA ALA 74 -2.727 -3.861 -2.887 554 HB1 ALA 74 HB1 ALA 74 -4.791 -5.124 -2.817 555 HB2 ALA 74 HB2 ALA 74 -5.731 -3.648 -2.555 556 HB3 ALA 74 HB3 ALA 74 -4.607 -4.211 -1.318 557 H LEU 75 HN LEU 75 -5.276 -1.710 -4.152 558 HA LEU 75 HA LEU 75 -5.404 -2.834 -6.763 559 HB2 LEU 75 HB2 LEU 75 -6.415 -0.262 -5.544 560 HB3 LEU 75 HB1 LEU 75 -6.407 -0.412 -7.287 561 HG LEU 75 HG LEU 75 -8.621 -0.934 -6.506 562 HD11 LEU 75 HD11 LEU 75 -8.974 -3.180 -7.398 563 HD12 LEU 75 HD12 LEU 75 -7.245 -3.518 -7.293 564 HD13 LEU 75 HD13 LEU 75 -7.839 -2.273 -8.396 565 HD21 LEU 75 HD21 LEU 75 -8.143 -1.505 -4.197 566 HD22 LEU 75 HD22 LEU 75 -7.394 -3.022 -4.696 567 HD23 LEU 75 HD23 LEU 75 -9.121 -2.761 -4.953 568 H PHE 76 HN PHE 76 -3.627 -0.040 -5.402 569 HA PHE 76 HA PHE 76 -2.478 0.881 -7.795 570 HB2 PHE 76 HB2 PHE 76 -1.775 1.187 -4.889 571 HB3 PHE 76 HB1 PHE 76 -0.555 1.650 -6.071 572 HD1 PHE 76 HD2 PHE 76 -4.288 2.113 -5.693 573 HD2 PHE 76 HD1 PHE 76 -0.515 3.944 -6.537 574 HE1 PHE 76 HE2 PHE 76 -5.401 4.280 -5.998 575 HE2 PHE 76 HE1 PHE 76 -1.640 6.104 -6.842 576 HZ PHE 76 HZ PHE 76 -4.081 6.281 -6.571 577 H VAL 77 HN VAL 77 -1.146 -1.473 -5.419 578 HA VAL 77 HA VAL 77 1.206 -1.979 -6.972 579 HB VAL 77 HB VAL 77 1.780 -3.754 -5.384 580 HG11 VAL 77 HG11 VAL 77 1.929 -2.386 -3.327 581 HG12 VAL 77 HG12 VAL 77 0.733 -1.264 -3.981 582 HG13 VAL 77 HG13 VAL 77 2.306 -1.433 -4.766 583 HG21 VAL 77 HG21 VAL 77 -0.449 -4.722 -5.003 584 HG22 VAL 77 HG22 VAL 77 -0.931 -3.281 -4.108 585 HG23 VAL 77 HG23 VAL 77 0.343 -4.328 -3.476 586 H GLU 78 HN GLU 78 -2.013 -3.449 -6.957 587 HA GLU 78 HA GLU 78 -1.520 -5.745 -8.515 588 HB2 GLU 78 HB2 GLU 78 -3.906 -3.841 -8.619 589 HB3 GLU 78 HB1 GLU 78 -3.831 -5.325 -9.554 590 HG2 GLU 78 HG2 GLU 78 -3.841 -5.132 -6.541 591 HG3 GLU 78 HG1 GLU 78 -5.217 -5.548 -7.546 592 H HIS 79 HN HIS 79 -1.952 -2.330 -9.414 593 HA HIS 79 HA HIS 79 -1.680 -2.781 -12.247 594 HB2 HIS 79 HB2 HIS 79 -1.655 -0.259 -10.545 595 HB3 HIS 79 HB1 HIS 79 -1.457 -0.216 -12.295 596 HD1 HIS 79 HD1 HIS 79 -3.645 0.949 -12.840 597 HD2 HIS 79 HD2 HIS 79 -4.178 -2.460 -10.531 598 HE1 HIS 79 HE1 HIS 79 -6.117 0.532 -12.807 599 HE2 HIS 79 HE2 HIS 79 -6.364 -1.675 -11.633 600 H LYS 80 HN LYS 80 0.540 -1.857 -9.660 601 HA LYS 80 HA LYS 80 2.651 -0.849 -11.244 602 HB2 LYS 80 HB2 LYS 80 2.712 -2.011 -8.433 603 HB3 LYS 80 HB1 LYS 80 4.048 -1.139 -9.176 604 HG2 LYS 80 HG2 LYS 80 1.328 -0.010 -8.477 605 HG3 LYS 80 HG1 LYS 80 2.845 0.307 -7.642 606 HD2 LYS 80 HD2 LYS 80 2.235 1.051 -10.516 607 HD3 LYS 80 HD1 LYS 80 2.167 2.156 -9.142 608 HE2 LYS 80 HE2 LYS 80 4.602 1.736 -8.748 609 HE3 LYS 80 HE1 LYS 80 4.633 0.728 -10.189 610 HZ1 LYS 80 HZ1 LYS 80 3.866 3.585 -10.180 611 HZ2 LYS 80 HZ2 LYS 80 4.090 2.604 -11.532 612 HZ3 LYS 80 HZ3 LYS 80 5.410 3.017 -10.558 613 H LEU 81 HN LEU 81 2.266 -3.991 -9.639 614 HA LEU 81 HA LEU 81 4.684 -5.085 -10.748 615 HB2 LEU 81 HB2 LEU 81 2.446 -6.296 -9.104 616 HB3 LEU 81 HB1 LEU 81 3.766 -7.268 -9.714 617 HG LEU 81 HG LEU 81 4.185 -6.729 -7.377 618 HD11 LEU 81 HD11 LEU 81 6.422 -5.753 -7.506 619 HD12 LEU 81 HD12 LEU 81 6.093 -5.159 -9.135 620 HD13 LEU 81 HD13 LEU 81 6.152 -6.895 -8.820 621 HD21 LEU 81 HD21 LEU 81 4.062 -3.782 -8.105 622 HD22 LEU 81 HD22 LEU 81 4.517 -4.448 -6.533 623 HD23 LEU 81 HD23 LEU 81 2.879 -4.670 -7.140 624 H SER 82 HN SER 82 1.483 -4.776 -11.942 625 HA SER 82 HA SER 82 2.023 -6.689 -14.147 626 HB2 SER 82 HB2 SER 82 -0.600 -5.454 -13.226 627 HB3 SER 82 HB1 SER 82 -0.428 -6.518 -14.621 628 HG SER 82 HG SER 82 0.466 -8.075 -13.078 629 H HIS 83 HN HIS 83 3.124 -3.861 -13.809 630 HA HIS 83 HA HIS 83 1.781 -1.912 -15.215 631 HB2 HIS 83 HB2 HIS 83 3.952 -0.722 -15.498 632 HB3 HIS 83 HB1 HIS 83 3.698 -1.326 -13.870 633 HD1 HIS 83 HD1 HIS 83 5.711 -2.385 -12.877 634 HD2 HIS 83 HD2 HIS 83 5.813 -2.588 -17.020 635 HE1 HIS 83 HE1 HIS 83 7.920 -3.403 -13.446 636 HE2 HIS 83 HE2 HIS 83 8.055 -3.276 -15.950 637 H282 PNS 84 H282 PNS 84 8.680 15.057 7.063 638 H281 PNS 84 H281 PNS 84 8.211 13.532 7.807 639 H303 PNS 84 H303 PNS 84 6.303 12.151 6.716 640 H302 PNS 84 H302 PNS 84 5.277 13.559 6.431 641 H301 PNS 84 H301 PNS 84 5.770 12.541 5.077 642 H313 PNS 84 H313 PNS 84 8.126 12.563 4.259 643 H312 PNS 84 H312 PNS 84 9.349 13.578 5.023 644 H311 PNS 84 H311 PNS 84 8.719 12.160 5.873 645 H32 PNS 84 H32 PNS 84 6.508 15.860 5.442 646 H33 PNS 84 H33 PNS 84 8.047 15.866 3.378 647 H36 PNS 84 H36 PNS 84 7.487 13.529 2.887 648 H372 PNS 84 H372 PNS 84 5.291 14.096 1.163 649 H371 PNS 84 H371 PNS 84 6.418 12.733 1.026 650 H382 PNS 84 H382 PNS 84 5.157 11.647 2.966 651 H381 PNS 84 H381 PNS 84 3.946 12.907 2.780 652 H41 PNS 84 H41 PNS 84 2.937 10.570 2.746 653 H422 PNS 84 H422 PNS 84 1.596 10.209 0.351 654 H421 PNS 84 H421 PNS 84 2.949 9.070 0.343 655 H431 PNS 84 H431 PNS 84 2.136 8.159 2.504 656 H432 PNS 84 H432 PNS 84 0.989 7.959 1.177 657 H44 PNS 84 H44 PNS 84 0.591 9.518 4.065 Start of MODEL 18 1 H MET 1 HT1 MET 1 -8.813 -7.382 -5.490 2 HA MET 1 HA MET 1 -6.520 -7.819 -6.034 3 HB2 MET 1 HB2 MET 1 -7.076 -6.978 -3.156 4 HB3 MET 1 HB1 MET 1 -5.491 -6.817 -3.907 5 HG2 MET 1 HG2 MET 1 -6.635 -4.697 -3.979 6 HG3 MET 1 HG1 MET 1 -6.478 -5.333 -5.613 7 HE1 MET 1 HE1 MET 1 -10.417 -5.066 -3.197 8 HE2 MET 1 HE2 MET 1 -8.887 -4.341 -2.707 9 HE3 MET 1 HE3 MET 1 -9.088 -6.092 -2.659 10 H GLN 2 HN GLN 2 -4.706 -9.032 -5.811 11 HA GLN 2 HA GLN 2 -4.713 -11.385 -4.032 12 HB2 GLN 2 HB2 GLN 2 -2.714 -12.080 -5.402 13 HB3 GLN 2 HB1 GLN 2 -4.206 -11.933 -6.321 14 HG2 GLN 2 HG2 GLN 2 -3.470 -10.062 -7.507 15 HG3 GLN 2 HG1 GLN 2 -2.327 -9.581 -6.257 16 HE21 GLN 2 HE21 GLN 2 -1.023 -12.077 -5.958 17 HE22 GLN 2 HE22 GLN 2 -0.090 -12.367 -7.388 18 H HIS 3 HN HIS 3 -3.017 -8.379 -4.682 19 HA HIS 3 HA HIS 3 -0.632 -9.023 -3.256 20 HB2 HIS 3 HB2 HIS 3 -1.604 -6.467 -4.547 21 HB3 HIS 3 HB1 HIS 3 -0.073 -6.560 -3.684 22 HD1 HIS 3 HD1 HIS 3 1.334 -8.908 -4.702 23 HD2 HIS 3 HD2 HIS 3 -1.069 -6.639 -7.198 24 HE1 HIS 3 HE1 HIS 3 2.177 -9.345 -7.007 25 HE2 HIS 3 HE2 HIS 3 0.586 -8.104 -8.514 26 H LEU 4 HN LEU 4 -3.654 -7.884 -2.214 27 HA LEU 4 HA LEU 4 -2.967 -6.051 -0.185 28 HB2 LEU 4 HB2 LEU 4 -5.124 -6.289 0.704 29 HB3 LEU 4 HB1 LEU 4 -5.330 -6.652 -0.998 30 HG LEU 4 HG LEU 4 -5.206 -8.730 1.231 31 HD11 LEU 4 HD11 LEU 4 -7.242 -7.388 1.382 32 HD12 LEU 4 HD12 LEU 4 -7.609 -9.031 0.860 33 HD13 LEU 4 HD13 LEU 4 -7.603 -7.714 -0.317 34 HD21 LEU 4 HD21 LEU 4 -5.829 -9.096 -1.724 35 HD22 LEU 4 HD22 LEU 4 -5.997 -10.340 -0.484 36 HD23 LEU 4 HD23 LEU 4 -4.402 -9.697 -0.868 37 H GLU 5 HN GLU 5 -2.522 -9.481 -0.310 38 HA GLU 5 HA GLU 5 -2.303 -10.202 2.382 39 HB2 GLU 5 HB2 GLU 5 -2.378 -11.821 0.510 40 HB3 GLU 5 HB1 GLU 5 -0.805 -11.269 -0.050 41 HG2 GLU 5 HG2 GLU 5 0.231 -12.114 2.041 42 HG3 GLU 5 HG1 GLU 5 -1.348 -12.692 2.580 43 H ALA 6 HN ALA 6 0.353 -9.335 0.094 44 HA ALA 6 HA ALA 6 2.329 -9.202 2.184 45 HB1 ALA 6 HB1 ALA 6 2.558 -8.266 -0.683 46 HB2 ALA 6 HB2 ALA 6 2.930 -9.890 -0.095 47 HB3 ALA 6 HB3 ALA 6 3.893 -8.515 0.451 48 H VAL 7 HN VAL 7 0.194 -6.868 0.666 49 HA VAL 7 HA VAL 7 1.504 -4.492 1.480 50 HB VAL 7 HB VAL 7 -1.493 -4.987 1.053 51 HG11 VAL 7 HG11 VAL 7 -1.733 -2.542 0.922 52 HG12 VAL 7 HG12 VAL 7 -0.022 -2.328 1.309 53 HG13 VAL 7 HG13 VAL 7 -1.122 -3.019 2.503 54 HG21 VAL 7 HG21 VAL 7 -0.165 -5.308 -1.004 55 HG22 VAL 7 HG22 VAL 7 0.601 -3.731 -0.788 56 HG23 VAL 7 HG23 VAL 7 -1.134 -3.831 -1.123 57 H ARG 8 HN ARG 8 -1.132 -6.377 3.079 58 HA ARG 8 HA ARG 8 -1.122 -4.775 5.464 59 HB2 ARG 8 HB2 ARG 8 -2.691 -6.353 6.421 60 HB3 ARG 8 HB1 ARG 8 -3.146 -6.033 4.757 61 HG2 ARG 8 HG2 ARG 8 -2.144 -8.216 4.091 62 HG3 ARG 8 HG1 ARG 8 -1.781 -8.538 5.789 63 HD2 ARG 8 HD2 ARG 8 -4.209 -8.407 6.308 64 HD3 ARG 8 HD1 ARG 8 -4.549 -8.127 4.597 65 HE ARG 8 HE ARG 8 -3.166 -10.475 4.605 66 HH11 ARG 8 HH11 ARG 8 -6.050 -9.418 6.320 67 HH12 ARG 8 HH12 ARG 8 -6.768 -10.995 6.338 68 HH21 ARG 8 HH21 ARG 8 -4.143 -12.545 4.635 69 HH22 ARG 8 HH22 ARG 8 -5.689 -12.762 5.396 70 H ASN 9 HN ASN 9 0.627 -7.598 4.385 71 HA ASN 9 HA ASN 9 1.610 -8.591 6.827 72 HB2 ASN 9 HB2 ASN 9 1.824 -9.823 4.707 73 HB3 ASN 9 HB1 ASN 9 2.874 -8.572 4.052 74 HD21 ASN 9 HD21 ASN 9 4.573 -9.985 3.673 75 HD22 ASN 9 HD22 ASN 9 5.503 -10.699 4.942 76 H ILE 10 HN ILE 10 2.963 -6.261 4.532 77 HA ILE 10 HA ILE 10 5.319 -5.621 5.958 78 HB ILE 10 HB ILE 10 3.800 -4.150 3.762 79 HG12 ILE 10 HG12 ILE 10 6.444 -5.701 3.648 80 HG13 ILE 10 HG11 ILE 10 4.880 -6.353 3.167 81 HG21 ILE 10 HG21 ILE 10 6.510 -3.428 4.942 82 HG22 ILE 10 HG22 ILE 10 5.039 -2.456 5.012 83 HG23 ILE 10 HG23 ILE 10 5.837 -2.730 3.464 84 HD11 ILE 10 HD11 ILE 10 6.308 -4.034 1.881 85 HD12 ILE 10 HD12 ILE 10 4.727 -4.658 1.401 86 HD13 ILE 10 HD13 ILE 10 6.160 -5.671 1.246 87 H LEU 11 HN LEU 11 2.181 -3.913 5.680 88 HA LEU 11 HA LEU 11 2.894 -1.643 7.180 89 HB2 LEU 11 HB2 LEU 11 0.161 -2.870 6.680 90 HB3 LEU 11 HB1 LEU 11 0.420 -1.258 7.332 91 HG LEU 11 HG LEU 11 1.386 -2.134 4.575 92 HD11 LEU 11 HD11 LEU 11 -0.484 -0.839 3.650 93 HD12 LEU 11 HD12 LEU 11 -1.102 -0.574 5.283 94 HD13 LEU 11 HD13 LEU 11 -1.038 -2.205 4.616 95 HD21 LEU 11 HD21 LEU 11 1.198 0.632 5.812 96 HD22 LEU 11 HD22 LEU 11 1.677 0.271 4.152 97 HD23 LEU 11 HD23 LEU 11 2.681 -0.272 5.491 98 H GLY 12 HN GLY 12 1.367 -4.708 8.199 99 HA2 GLY 12 HA2 GLY 12 1.105 -3.937 10.954 100 HA3 GLY 12 HA1 GLY 12 0.945 -5.549 10.287 101 H ASP 13 HN ASP 13 3.682 -5.307 9.020 102 HA ASP 13 HA ASP 13 5.191 -6.334 11.267 103 HB2 ASP 13 HB2 ASP 13 5.238 -7.270 8.889 104 HB3 ASP 13 HB1 ASP 13 6.150 -5.847 8.415 105 H VAL 14 HN VAL 14 4.984 -3.326 9.488 106 HA VAL 14 HA VAL 14 7.429 -2.198 10.622 107 HB VAL 14 HB VAL 14 5.262 -0.882 8.900 108 HG11 VAL 14 HG11 VAL 14 7.991 0.212 9.722 109 HG12 VAL 14 HG12 VAL 14 6.420 0.817 10.252 110 HG13 VAL 14 HG13 VAL 14 6.889 0.965 8.561 111 HG21 VAL 14 HG21 VAL 14 6.498 -2.633 7.675 112 HG22 VAL 14 HG22 VAL 14 8.033 -1.881 8.108 113 HG23 VAL 14 HG23 VAL 14 6.902 -1.032 7.052 114 H LEU 15 HN LEU 15 3.905 -1.423 10.758 115 HA LEU 15 HA LEU 15 4.290 0.483 12.902 116 HB2 LEU 15 HB2 LEU 15 1.736 -0.492 11.574 117 HB3 LEU 15 HB1 LEU 15 1.761 0.693 12.862 118 HG LEU 15 HG LEU 15 1.554 2.077 11.023 119 HD11 LEU 15 HD11 LEU 15 4.568 1.890 11.218 120 HD12 LEU 15 HD12 LEU 15 3.507 2.823 12.279 121 HD13 LEU 15 HD13 LEU 15 3.630 3.242 10.573 122 HD21 LEU 15 HD21 LEU 15 3.406 0.323 9.390 123 HD22 LEU 15 HD22 LEU 15 2.583 1.781 8.826 124 HD23 LEU 15 HD23 LEU 15 1.643 0.367 9.293 125 H ASN 16 HN ASN 16 4.178 -2.822 12.982 126 HA ASN 16 HA ASN 16 4.453 -4.202 14.740 127 HB2 ASN 16 HB2 ASN 16 5.509 -2.143 15.819 128 HB3 ASN 16 HB1 ASN 16 3.963 -1.822 16.587 129 HD21 ASN 16 HD21 ASN 16 6.729 -3.973 16.488 130 HD22 ASN 16 HD22 ASN 16 6.464 -4.702 18.033 131 H LEU 17 HN LEU 17 1.943 -3.905 13.460 132 HA LEU 17 HA LEU 17 -0.182 -4.285 15.362 133 HB2 LEU 17 HB2 LEU 17 0.078 -4.724 12.376 134 HB3 LEU 17 HB1 LEU 17 -1.340 -5.300 13.228 135 HG LEU 17 HG LEU 17 -1.976 -3.017 13.844 136 HD11 LEU 17 HD11 LEU 17 0.519 -2.057 12.418 137 HD12 LEU 17 HD12 LEU 17 0.212 -1.984 14.155 138 HD13 LEU 17 HD13 LEU 17 -0.774 -1.030 13.049 139 HD21 LEU 17 HD21 LEU 17 -2.501 -2.115 11.618 140 HD22 LEU 17 HD22 LEU 17 -2.734 -3.861 11.660 141 HD23 LEU 17 HD23 LEU 17 -1.299 -3.186 10.886 142 H GLY 18 HN GLY 18 2.156 -6.349 13.721 143 HA2 GLY 18 HA2 GLY 18 2.821 -8.507 14.070 144 HA3 GLY 18 HA1 GLY 18 1.926 -8.468 15.584 145 H GLU 19 HN GLU 19 -0.116 -9.382 15.669 146 HA GLU 19 HA GLU 19 -0.864 -11.219 13.510 147 HB2 GLU 19 HB2 GLU 19 -0.733 -12.038 15.843 148 HB3 GLU 19 HB1 GLU 19 -1.928 -10.852 16.348 149 HG2 GLU 19 HG2 GLU 19 -3.618 -11.983 14.892 150 HG3 GLU 19 HG1 GLU 19 -2.413 -13.205 14.491 151 H ARG 20 HN ARG 20 -1.871 -8.178 14.859 152 HA ARG 20 HA ARG 20 -4.641 -8.204 14.279 153 HB2 ARG 20 HB2 ARG 20 -3.516 -6.681 15.894 154 HB3 ARG 20 HB1 ARG 20 -2.775 -5.814 14.564 155 HG2 ARG 20 HG2 ARG 20 -5.786 -5.997 14.730 156 HG3 ARG 20 HG1 ARG 20 -4.929 -4.863 15.768 157 HD2 ARG 20 HD2 ARG 20 -4.052 -3.670 13.858 158 HD3 ARG 20 HD1 ARG 20 -4.650 -4.894 12.737 159 HE ARG 20 HE ARG 20 -6.129 -2.734 13.951 160 HH11 ARG 20 HH11 ARG 20 -6.464 -5.883 12.407 161 HH12 ARG 20 HH12 ARG 20 -8.102 -5.599 11.918 162 HH21 ARG 20 HH21 ARG 20 -8.275 -2.374 13.267 163 HH22 ARG 20 HH22 ARG 20 -9.124 -3.607 12.386 164 H LYS 21 HN LYS 21 -1.863 -7.573 12.261 165 HA LYS 21 HA LYS 21 -3.116 -6.204 10.119 166 HB2 LYS 21 HB2 LYS 21 -1.141 -6.691 8.833 167 HB3 LYS 21 HB1 LYS 21 -0.681 -6.259 10.477 168 HG2 LYS 21 HG2 LYS 21 -0.408 -8.645 11.023 169 HG3 LYS 21 HG1 LYS 21 -0.826 -9.070 9.361 170 HD2 LYS 21 HD2 LYS 21 1.161 -7.718 8.609 171 HD3 LYS 21 HD1 LYS 21 1.592 -7.502 10.309 172 HE2 LYS 21 HE2 LYS 21 1.736 -9.950 10.563 173 HE3 LYS 21 HE1 LYS 21 1.349 -10.133 8.851 174 HZ1 LYS 21 HZ1 LYS 21 3.373 -8.900 8.315 175 HZ2 LYS 21 HZ2 LYS 21 3.721 -10.285 9.210 176 HZ3 LYS 21 HZ3 LYS 21 3.748 -8.771 9.958 177 H HIS 22 HN HIS 22 -2.952 -9.559 10.978 178 HA HIS 22 HA HIS 22 -3.643 -10.601 8.364 179 HB2 HIS 22 HB2 HIS 22 -2.102 -11.798 9.902 180 HB3 HIS 22 HB1 HIS 22 -3.401 -11.978 11.071 181 HD1 HIS 22 HD1 HIS 22 -4.749 -14.074 10.889 182 HD2 HIS 22 HD2 HIS 22 -2.592 -13.307 7.422 183 HE1 HIS 22 HE1 HIS 22 -5.085 -16.083 9.433 184 HE2 HIS 22 HE2 HIS 22 -3.687 -15.646 7.387 185 H THR 23 HN THR 23 -5.356 -9.545 11.194 186 HA THR 23 HA THR 23 -7.819 -11.009 10.505 187 HB THR 23 HB THR 23 -7.087 -10.931 12.901 188 HG1 THR 23 HG1 THR 23 -9.586 -10.252 11.950 189 HG21 THR 23 HG21 THR 23 -7.454 -8.899 14.240 190 HG22 THR 23 HG22 THR 23 -7.868 -7.995 12.782 191 HG23 THR 23 HG23 THR 23 -6.231 -8.613 13.002 192 H LEU 24 HN LEU 24 -6.481 -8.223 9.365 193 HA LEU 24 HA LEU 24 -9.111 -6.868 9.072 194 HB2 LEU 24 HB2 LEU 24 -7.876 -4.806 8.507 195 HB3 LEU 24 HB1 LEU 24 -7.557 -5.386 10.118 196 HG LEU 24 HG LEU 24 -5.338 -6.342 9.136 197 HD11 LEU 24 HD11 LEU 24 -4.403 -5.153 7.209 198 HD12 LEU 24 HD12 LEU 24 -5.944 -4.330 6.952 199 HD13 LEU 24 HD13 LEU 24 -5.834 -6.080 6.751 200 HD21 LEU 24 HD21 LEU 24 -4.168 -4.217 9.501 201 HD22 LEU 24 HD22 LEU 24 -5.422 -4.467 10.714 202 HD23 LEU 24 HD23 LEU 24 -5.697 -3.341 9.381 203 H THR 25 HN THR 25 -9.534 -5.849 6.955 204 HA THR 25 HA THR 25 -8.636 -7.589 4.717 205 HB THR 25 HB THR 25 -10.937 -7.163 3.733 206 HG1 THR 25 HG1 THR 25 -11.745 -6.278 6.292 207 HG21 THR 25 HG21 THR 25 -10.966 -8.475 6.478 208 HG22 THR 25 HG22 THR 25 -10.560 -9.271 4.954 209 HG23 THR 25 HG23 THR 25 -12.196 -8.673 5.232 210 H ALA 26 HN ALA 26 -9.511 -6.395 2.548 211 HA ALA 26 HA ALA 26 -7.951 -4.051 2.154 212 HB1 ALA 26 HB1 ALA 26 -8.934 -4.033 -0.103 213 HB2 ALA 26 HB2 ALA 26 -10.109 -5.252 0.392 214 HB3 ALA 26 HB3 ALA 26 -8.391 -5.650 0.351 215 H SER 27 HN SER 27 -11.188 -4.498 3.293 216 HA SER 27 HA SER 27 -12.200 -1.864 2.753 217 HB2 SER 27 HB2 SER 27 -13.084 -3.984 4.763 218 HB3 SER 27 HB1 SER 27 -13.977 -2.497 4.417 219 HG SER 27 HG SER 27 -13.260 -4.337 2.400 220 H SER 28 HN SER 28 -10.062 -3.191 5.138 221 HA SER 28 HA SER 28 -10.576 -1.533 7.361 222 HB2 SER 28 HB2 SER 28 -9.295 -3.653 7.509 223 HB3 SER 28 HB1 SER 28 -7.968 -2.921 6.611 224 HG SER 28 HG SER 28 -7.626 -1.514 8.329 225 H VAL 29 HN VAL 29 -10.063 0.516 7.774 226 HA VAL 29 HA VAL 29 -8.677 2.154 5.816 227 HB VAL 29 HB VAL 29 -10.003 2.853 8.486 228 HG11 VAL 29 HG11 VAL 29 -9.946 5.217 7.755 229 HG12 VAL 29 HG12 VAL 29 -9.018 4.754 6.326 230 HG13 VAL 29 HG13 VAL 29 -8.319 4.557 7.933 231 HG21 VAL 29 HG21 VAL 29 -11.860 3.732 7.107 232 HG22 VAL 29 HG22 VAL 29 -11.605 2.011 6.818 233 HG23 VAL 29 HG23 VAL 29 -11.035 3.195 5.639 234 H LEU 30 HN LEU 30 -6.750 3.316 6.267 235 HA LEU 30 HA LEU 30 -5.069 2.225 8.452 236 HB2 LEU 30 HB2 LEU 30 -4.171 3.202 5.723 237 HB3 LEU 30 HB1 LEU 30 -3.135 2.526 6.972 238 HG LEU 30 HG LEU 30 -5.315 0.999 5.495 239 HD11 LEU 30 HD11 LEU 30 -3.480 1.572 4.019 240 HD12 LEU 30 HD12 LEU 30 -3.474 -0.155 4.367 241 HD13 LEU 30 HD13 LEU 30 -2.316 0.909 5.169 242 HD21 LEU 30 HD21 LEU 30 -4.981 0.095 7.762 243 HD22 LEU 30 HD22 LEU 30 -3.242 -0.025 7.478 244 HD23 LEU 30 HD23 LEU 30 -4.362 -1.023 6.547 245 H LEU 31 HN LEU 31 -4.833 4.984 6.183 246 HA LEU 31 HA LEU 31 -3.701 6.769 7.998 247 HB2 LEU 31 HB2 LEU 31 -4.015 6.798 5.337 248 HB3 LEU 31 HB1 LEU 31 -5.403 7.797 5.712 249 HG LEU 31 HG LEU 31 -2.570 8.466 6.615 250 HD11 LEU 31 HD11 LEU 31 -2.627 8.413 4.169 251 HD12 LEU 31 HD12 LEU 31 -2.440 10.057 4.772 252 HD13 LEU 31 HD13 LEU 31 -4.007 9.516 4.166 253 HD21 LEU 31 HD21 LEU 31 -4.322 9.579 7.939 254 HD22 LEU 31 HD22 LEU 31 -5.044 10.221 6.461 255 HD23 LEU 31 HD23 LEU 31 -3.429 10.737 6.955 256 H GLY 32 HN GLY 32 -4.582 7.425 9.818 257 HA2 GLY 32 HA2 GLY 32 -6.054 8.818 11.043 258 HA3 GLY 32 HA1 GLY 32 -7.359 8.432 9.934 259 H ASN 33 HN ASN 33 -6.657 5.482 10.105 260 HA ASN 33 HA ASN 33 -8.211 4.896 12.522 261 HB2 ASN 33 HB2 ASN 33 -8.818 3.812 10.366 262 HB3 ASN 33 HB1 ASN 33 -7.247 3.015 10.317 263 HD21 ASN 33 HD21 ASN 33 -8.022 0.914 10.411 264 HD22 ASN 33 HD22 ASN 33 -8.853 0.257 11.772 265 H ILE 34 HN ILE 34 -5.079 3.897 11.106 266 HA ILE 34 HA ILE 34 -4.207 2.564 13.517 267 HB ILE 34 HB ILE 34 -2.488 3.262 11.088 268 HG12 ILE 34 HG12 ILE 34 -4.429 1.950 10.287 269 HG13 ILE 34 HG11 ILE 34 -2.960 0.992 10.193 270 HG21 ILE 34 HG21 ILE 34 -2.127 1.133 13.231 271 HG22 ILE 34 HG22 ILE 34 -1.187 2.616 13.058 272 HG23 ILE 34 HG23 ILE 34 -1.077 1.358 11.825 273 HD11 ILE 34 HD11 ILE 34 -4.822 -0.358 10.943 274 HD12 ILE 34 HD12 ILE 34 -5.125 0.740 12.287 275 HD13 ILE 34 HD13 ILE 34 -3.638 -0.211 12.242 276 HA PRO 35 HA PRO 35 -2.844 6.609 15.064 277 HB2 PRO 35 HB2 PRO 35 -2.067 5.857 17.561 278 HB3 PRO 35 HB1 PRO 35 -3.773 5.900 17.091 279 HG2 PRO 35 HG2 PRO 35 -1.904 3.537 17.248 280 HG3 PRO 35 HG1 PRO 35 -3.585 3.672 17.810 281 HD2 PRO 35 HD2 PRO 35 -2.866 2.502 15.418 282 HD3 PRO 35 HD1 PRO 35 -4.444 3.261 15.688 283 H GLU 36 HN GLU 36 -0.885 3.992 14.258 284 HA GLU 36 HA GLU 36 1.647 5.105 15.203 285 HB2 GLU 36 HB2 GLU 36 1.109 2.524 13.683 286 HB3 GLU 36 HB1 GLU 36 2.576 2.954 14.551 287 HG2 GLU 36 HG2 GLU 36 -0.134 2.285 15.733 288 HG3 GLU 36 HG1 GLU 36 1.348 1.332 15.847 289 H LEU 37 HN LEU 37 -0.326 5.144 12.419 290 HA LEU 37 HA LEU 37 1.848 5.251 10.463 291 HB2 LEU 37 HB2 LEU 37 -0.282 4.005 9.980 292 HB3 LEU 37 HB1 LEU 37 -1.155 5.525 10.050 293 HG LEU 37 HG LEU 37 0.237 6.347 8.096 294 HD11 LEU 37 HD11 LEU 37 2.171 4.872 8.322 295 HD12 LEU 37 HD12 LEU 37 1.451 4.690 6.726 296 HD13 LEU 37 HD13 LEU 37 1.170 3.461 7.962 297 HD21 LEU 37 HD21 LEU 37 -1.428 3.860 7.570 298 HD22 LEU 37 HD22 LEU 37 -1.016 5.102 6.383 299 HD23 LEU 37 HD23 LEU 37 -2.052 5.506 7.755 300 H ASP 38 HN ASP 38 2.876 7.209 11.109 301 HA ASP 38 HA ASP 38 1.439 9.741 10.526 302 HB2 ASP 38 HB2 ASP 38 2.158 9.223 12.971 303 HB3 ASP 38 HB1 ASP 38 3.815 9.392 12.419 304 H SER 39 HN SER 39 3.563 11.435 10.352 305 HA SER 39 HA SER 39 4.377 11.646 7.827 306 HB2 SER 39 HB2 SER 39 4.507 13.328 9.607 307 HB3 SER 39 HB1 SER 39 5.825 12.442 10.378 308 H MET 40 HN MET 40 6.860 10.614 10.243 309 HA MET 40 HA MET 40 8.657 9.681 8.248 310 HB2 MET 40 HB2 MET 40 8.625 9.219 11.246 311 HB3 MET 40 HB1 MET 40 9.927 8.700 10.179 312 HG2 MET 40 HG2 MET 40 9.047 11.584 10.496 313 HG3 MET 40 HG1 MET 40 10.383 10.843 11.386 314 HE1 MET 40 HE1 MET 40 12.044 12.733 10.534 315 HE2 MET 40 HE2 MET 40 10.722 13.507 9.656 316 HE3 MET 40 HE3 MET 40 12.245 13.164 8.837 317 H ALA 41 HN ALA 41 6.138 8.086 10.081 318 HA ALA 41 HA ALA 41 6.884 5.392 9.606 319 HB1 ALA 41 HB1 ALA 41 4.630 4.803 10.297 320 HB2 ALA 41 HB2 ALA 41 4.105 6.477 10.102 321 HB3 ALA 41 HB3 ALA 41 5.280 6.060 11.349 322 H VAL 42 HN VAL 42 4.931 7.690 7.654 323 HA VAL 42 HA VAL 42 4.085 5.700 5.782 324 HB VAL 42 HB VAL 42 3.364 7.452 4.255 325 HG11 VAL 42 HG11 VAL 42 1.854 6.901 6.100 326 HG12 VAL 42 HG12 VAL 42 1.694 8.602 5.661 327 HG13 VAL 42 HG13 VAL 42 2.594 8.146 7.110 328 HG21 VAL 42 HG21 VAL 42 4.562 9.533 6.109 329 HG22 VAL 42 HG22 VAL 42 3.673 9.838 4.619 330 HG23 VAL 42 HG23 VAL 42 5.253 9.059 4.560 331 H VAL 43 HN VAL 43 6.930 7.820 6.045 332 HA VAL 43 HA VAL 43 8.047 7.245 3.465 333 HB VAL 43 HB VAL 43 9.802 7.562 5.935 334 HG11 VAL 43 HG11 VAL 43 11.331 8.749 4.402 335 HG12 VAL 43 HG12 VAL 43 10.195 8.522 3.067 336 HG13 VAL 43 HG13 VAL 43 10.975 7.123 3.811 337 HG21 VAL 43 HG21 VAL 43 8.332 9.788 4.512 338 HG22 VAL 43 HG22 VAL 43 9.616 10.011 5.705 339 HG23 VAL 43 HG23 VAL 43 8.095 9.247 6.177 340 H ASN 44 HN ASN 44 8.411 5.692 6.598 341 HA ASN 44 HA ASN 44 10.245 3.678 6.049 342 HB2 ASN 44 HB2 ASN 44 8.017 3.971 8.080 343 HB3 ASN 44 HB1 ASN 44 9.031 2.527 8.065 344 HD21 ASN 44 HD21 ASN 44 8.679 4.866 9.970 345 HD22 ASN 44 HD22 ASN 44 10.294 5.381 10.291 346 H VAL 45 HN VAL 45 6.690 3.532 5.878 347 HA VAL 45 HA VAL 45 6.639 0.755 5.168 348 HB VAL 45 HB VAL 45 4.211 1.056 4.763 349 HG11 VAL 45 HG11 VAL 45 3.595 1.628 7.094 350 HG12 VAL 45 HG12 VAL 45 5.209 2.297 7.355 351 HG13 VAL 45 HG13 VAL 45 5.011 0.575 7.028 352 HG21 VAL 45 HG21 VAL 45 4.704 3.979 5.411 353 HG22 VAL 45 HG22 VAL 45 3.118 3.218 5.236 354 HG23 VAL 45 HG23 VAL 45 4.200 3.335 3.848 355 H ILE 46 HN ILE 46 6.573 3.781 3.261 356 HA ILE 46 HA ILE 46 5.968 2.636 0.745 357 HB ILE 46 HB ILE 46 7.706 5.064 1.400 358 HG12 ILE 46 HG12 ILE 46 4.878 4.942 0.232 359 HG13 ILE 46 HG11 ILE 46 5.225 5.199 1.940 360 HG21 ILE 46 HG21 ILE 46 7.534 5.700 -1.009 361 HG22 ILE 46 HG22 ILE 46 6.764 4.151 -1.358 362 HG23 ILE 46 HG23 ILE 46 8.431 4.198 -0.785 363 HD11 ILE 46 HD11 ILE 46 6.356 7.303 1.384 364 HD12 ILE 46 HD12 ILE 46 4.693 7.274 0.801 365 HD13 ILE 46 HD13 ILE 46 6.022 7.029 -0.330 366 H THR 47 HN THR 47 9.089 3.255 2.333 367 HA THR 47 HA THR 47 10.846 2.194 0.444 368 HB THR 47 HB THR 47 11.143 2.211 3.481 369 HG1 THR 47 HG1 THR 47 11.553 4.142 1.457 370 HG21 THR 47 HG21 THR 47 13.592 2.231 3.067 371 HG22 THR 47 HG22 THR 47 13.309 2.069 1.334 372 HG23 THR 47 HG23 THR 47 12.863 0.756 2.428 373 H ALA 48 HN ALA 48 9.224 0.595 3.166 374 HA ALA 48 HA ALA 48 10.334 -1.977 2.915 375 HB1 ALA 48 HB1 ALA 48 8.474 -2.673 4.366 376 HB2 ALA 48 HB2 ALA 48 7.665 -1.133 4.068 377 HB3 ALA 48 HB3 ALA 48 9.204 -1.168 4.927 378 H LEU 49 HN LEU 49 7.324 -0.613 1.518 379 HA LEU 49 HA LEU 49 6.397 -2.865 0.120 380 HB2 LEU 49 HB2 LEU 49 5.955 0.089 -0.090 381 HB3 LEU 49 HB1 LEU 49 5.610 -0.806 -1.551 382 HG LEU 49 HG LEU 49 3.562 -0.436 -0.287 383 HD11 LEU 49 HD11 LEU 49 3.695 -2.485 -1.590 384 HD12 LEU 49 HD12 LEU 49 2.696 -2.715 -0.158 385 HD13 LEU 49 HD13 LEU 49 4.342 -3.360 -0.199 386 HD21 LEU 49 HD21 LEU 49 4.821 -1.963 2.010 387 HD22 LEU 49 HD22 LEU 49 3.140 -1.425 1.920 388 HD23 LEU 49 HD23 LEU 49 4.441 -0.239 1.975 389 H GLU 50 HN GLU 50 8.640 -0.296 -0.904 390 HA GLU 50 HA GLU 50 9.234 -1.035 -3.520 391 HB2 GLU 50 HB2 GLU 50 11.245 0.065 -1.501 392 HB3 GLU 50 HB1 GLU 50 11.359 0.187 -3.249 393 HG2 GLU 50 HG2 GLU 50 9.110 1.462 -1.690 394 HG3 GLU 50 HG1 GLU 50 10.648 2.271 -1.932 395 H GLU 51 HN GLU 51 10.684 -2.154 -0.477 396 HA GLU 51 HA GLU 51 12.798 -3.684 -1.541 397 HB2 GLU 51 HB2 GLU 51 11.363 -4.051 1.125 398 HB3 GLU 51 HB1 GLU 51 12.919 -4.759 0.702 399 HG2 GLU 51 HG2 GLU 51 12.284 -1.830 1.117 400 HG3 GLU 51 HG1 GLU 51 13.298 -2.859 2.121 401 H TYR 52 HN TYR 52 9.627 -4.777 -0.266 402 HA TYR 52 HA TYR 52 10.115 -7.534 -0.788 403 HB2 TYR 52 HB2 TYR 52 7.598 -6.005 -0.083 404 HB3 TYR 52 HB1 TYR 52 7.551 -7.738 -0.397 405 HD1 TYR 52 HD2 TYR 52 9.447 -5.249 1.701 406 HD2 TYR 52 HD1 TYR 52 7.836 -9.194 1.455 407 HE1 TYR 52 HE2 TYR 52 10.135 -5.668 4.012 408 HE2 TYR 52 HE1 TYR 52 8.532 -9.619 3.776 409 HH TYR 52 HH TYR 52 10.261 -8.728 5.372 410 H PHE 53 HN PHE 53 8.258 -5.088 -2.615 411 HA PHE 53 HA PHE 53 7.478 -7.065 -4.627 412 HB2 PHE 53 HB2 PHE 53 6.837 -4.119 -4.328 413 HB3 PHE 53 HB1 PHE 53 6.255 -5.102 -5.661 414 HD1 PHE 53 HD2 PHE 53 6.274 -5.151 -1.876 415 HD2 PHE 53 HD1 PHE 53 4.083 -5.967 -5.457 416 HE1 PHE 53 HE2 PHE 53 4.289 -5.736 -0.544 417 HE2 PHE 53 HE1 PHE 53 2.111 -6.549 -4.116 418 HZ PHE 53 HZ PHE 53 2.205 -6.430 -1.662 419 H ASP 54 HN ASP 54 10.137 -4.954 -4.192 420 HA ASP 54 HA ASP 54 11.955 -4.409 -5.431 421 HB2 ASP 54 HB2 ASP 54 10.968 -6.808 -7.017 422 HB3 ASP 54 HB1 ASP 54 12.419 -5.940 -7.507 423 H PHE 55 HN PHE 55 9.958 -2.682 -5.785 424 HA PHE 55 HA PHE 55 10.142 -1.855 -8.615 425 HB2 PHE 55 HB2 PHE 55 7.782 -1.534 -8.857 426 HB3 PHE 55 HB1 PHE 55 7.982 -3.157 -8.223 427 HD1 PHE 55 HD1 PHE 55 8.377 -2.127 -5.216 428 HD2 PHE 55 HD2 PHE 55 5.454 -1.365 -8.241 429 HE1 PHE 55 HE1 PHE 55 6.701 -1.660 -3.496 430 HE2 PHE 55 HE2 PHE 55 3.793 -0.919 -6.493 431 HZ PHE 55 HZ PHE 55 4.413 -1.067 -4.124 432 H SER 56 HN SER 56 8.969 0.442 -8.765 433 HA SER 56 HA SER 56 9.314 1.974 -6.266 434 HB2 SER 56 HB2 SER 56 11.272 2.345 -7.819 435 HB3 SER 56 HB1 SER 56 10.149 3.014 -9.003 436 HG SER 56 HG SER 56 10.440 4.007 -6.349 437 H VAL 57 HN VAL 57 7.350 2.625 -5.701 438 HA VAL 57 HA VAL 57 5.150 2.989 -7.484 439 HB VAL 57 HB VAL 57 5.377 4.156 -4.665 440 HG11 VAL 57 HG11 VAL 57 2.905 3.918 -4.632 441 HG12 VAL 57 HG12 VAL 57 2.942 3.292 -6.283 442 HG13 VAL 57 HG13 VAL 57 3.433 4.956 -5.960 443 HG21 VAL 57 HG21 VAL 57 4.437 1.365 -5.369 444 HG22 VAL 57 HG22 VAL 57 4.408 2.105 -3.766 445 HG23 VAL 57 HG23 VAL 57 5.950 1.769 -4.555 446 H ASP 58 HN ASP 58 4.493 4.822 -8.519 447 HA ASP 58 HA ASP 58 6.355 6.930 -9.000 448 HB2 ASP 58 HB2 ASP 58 4.861 6.102 -10.767 449 HB3 ASP 58 HB1 ASP 58 3.445 6.577 -9.841 450 H ASP 59 HN ASP 59 6.448 8.966 -8.153 451 HA ASP 59 HA ASP 59 5.457 9.539 -5.624 452 HB2 ASP 59 HB2 ASP 59 7.509 10.527 -6.544 453 HB3 ASP 59 HB1 ASP 59 6.578 11.429 -7.732 454 H ASP 60 HN ASP 60 4.133 10.527 -8.782 455 HA ASP 60 HA ASP 60 2.288 12.480 -7.740 456 HB2 ASP 60 HB2 ASP 60 2.358 11.107 -10.458 457 HB3 ASP 60 HB1 ASP 60 1.288 12.447 -10.049 458 H GLU 61 HN GLU 61 2.185 9.048 -7.982 459 HA GLU 61 HA GLU 61 -0.776 8.983 -7.712 460 HB2 GLU 61 HB2 GLU 61 -0.756 6.676 -8.293 461 HB3 GLU 61 HB1 GLU 61 0.332 7.469 -9.427 462 HG2 GLU 61 HG2 GLU 61 2.249 6.719 -8.015 463 HG3 GLU 61 HG1 GLU 61 1.117 5.820 -7.014 464 H ILE 62 HN ILE 62 2.068 8.889 -5.826 465 HA ILE 62 HA ILE 62 0.795 7.622 -3.518 466 HB ILE 62 HB ILE 62 3.418 9.206 -3.620 467 HG12 ILE 62 HG12 ILE 62 2.984 6.182 -3.650 468 HG13 ILE 62 HG11 ILE 62 3.614 7.148 -4.977 469 HG21 ILE 62 HG21 ILE 62 2.317 7.399 -1.433 470 HG22 ILE 62 HG22 ILE 62 2.428 9.157 -1.365 471 HG23 ILE 62 HG23 ILE 62 3.901 8.189 -1.409 472 HD11 ILE 62 HD11 ILE 62 5.608 7.664 -3.639 473 HD12 ILE 62 HD12 ILE 62 5.384 5.929 -3.854 474 HD13 ILE 62 HD13 ILE 62 4.970 6.687 -2.311 475 H SER 63 HN SER 63 -0.711 8.727 -2.432 476 HA SER 63 HA SER 63 -0.213 11.385 -1.387 477 HB2 SER 63 HB2 SER 63 -1.376 11.760 -3.624 478 HB3 SER 63 HB1 SER 63 -2.760 10.862 -3.001 479 HG SER 63 HG SER 63 -1.790 13.395 -2.306 480 H ALA 64 HN ALA 64 -2.570 11.880 -0.105 481 HA ALA 64 HA ALA 64 -2.722 10.009 1.991 482 HB1 ALA 64 HB1 ALA 64 -4.700 11.269 2.759 483 HB2 ALA 64 HB2 ALA 64 -4.786 12.102 1.203 484 HB3 ALA 64 HB3 ALA 64 -3.400 12.356 2.266 485 H GLN 65 HN GLN 65 -4.573 10.363 -0.975 486 HA GLN 65 HA GLN 65 -6.670 8.515 -0.402 487 HB2 GLN 65 HB2 GLN 65 -5.671 9.402 -3.134 488 HB3 GLN 65 HB1 GLN 65 -7.232 8.678 -2.774 489 HG2 GLN 65 HG2 GLN 65 -6.246 11.434 -2.044 490 HG3 GLN 65 HG1 GLN 65 -7.586 11.009 -3.103 491 HE21 GLN 65 HE21 GLN 65 -6.555 11.462 0.177 492 HE22 GLN 65 HE22 GLN 65 -8.114 11.333 0.912 493 H THR 66 HN THR 66 -3.380 8.001 -1.195 494 HA THR 66 HA THR 66 -3.686 5.376 -2.356 495 HB THR 66 HB THR 66 -1.187 6.683 -1.178 496 HG1 THR 66 HG1 THR 66 -1.652 6.625 -3.929 497 HG21 THR 66 HG21 THR 66 -1.467 4.452 -3.234 498 HG22 THR 66 HG22 THR 66 -0.901 4.254 -1.578 499 HG23 THR 66 HG23 THR 66 0.055 5.189 -2.725 500 H PHE 67 HN PHE 67 -2.856 6.796 0.821 501 HA PHE 67 HA PHE 67 -2.627 4.117 2.037 502 HB2 PHE 67 HB2 PHE 67 -1.702 6.858 2.940 503 HB3 PHE 67 HB1 PHE 67 -1.713 5.483 4.037 504 HD1 PHE 67 HD2 PHE 67 -0.162 6.848 0.938 505 HD2 PHE 67 HD1 PHE 67 -0.067 3.718 3.860 506 HE1 PHE 67 HE2 PHE 67 2.020 6.102 0.081 507 HE2 PHE 67 HE1 PHE 67 2.113 2.982 2.988 508 HZ PHE 67 HZ PHE 67 3.152 4.164 1.099 509 H GLU 68 HN GLU 68 -5.128 6.064 1.493 510 HA GLU 68 HA GLU 68 -6.372 6.556 3.939 511 HB2 GLU 68 HB2 GLU 68 -8.528 6.586 2.673 512 HB3 GLU 68 HB1 GLU 68 -7.265 7.545 1.916 513 HG2 GLU 68 HG2 GLU 68 -6.922 5.908 0.203 514 HG3 GLU 68 HG1 GLU 68 -7.930 4.731 1.040 515 H THR 69 HN THR 69 -6.565 3.632 1.905 516 HA THR 69 HA THR 69 -7.267 2.017 4.247 517 HB THR 69 HB THR 69 -9.457 2.625 3.287 518 HG1 THR 69 HG1 THR 69 -9.657 0.614 4.027 519 HG21 THR 69 HG21 THR 69 -10.129 1.936 1.018 520 HG22 THR 69 HG22 THR 69 -8.487 1.376 0.693 521 HG23 THR 69 HG23 THR 69 -8.797 3.094 0.960 522 H LEU 70 HN LEU 70 -7.046 -0.300 3.809 523 HA LEU 70 HA LEU 70 -4.585 -0.966 2.661 524 HB2 LEU 70 HB2 LEU 70 -5.817 -2.246 4.477 525 HB3 LEU 70 HB1 LEU 70 -6.871 -2.891 3.228 526 HG LEU 70 HG LEU 70 -4.682 -3.770 2.102 527 HD11 LEU 70 HD11 LEU 70 -3.617 -3.280 4.890 528 HD12 LEU 70 HD12 LEU 70 -3.120 -2.441 3.418 529 HD13 LEU 70 HD13 LEU 70 -2.798 -4.163 3.597 530 HD21 LEU 70 HD21 LEU 70 -4.659 -5.832 3.450 531 HD22 LEU 70 HD22 LEU 70 -6.303 -5.299 3.105 532 HD23 LEU 70 HD23 LEU 70 -5.609 -5.026 4.704 533 H GLY 71 HN GLY 71 -7.856 -1.123 1.439 534 HA2 GLY 71 HA2 GLY 71 -7.559 -2.671 -0.875 535 HA3 GLY 71 HA1 GLY 71 -8.781 -1.439 -0.619 536 H SER 72 HN SER 72 -7.134 0.817 -0.357 537 HA SER 72 HA SER 72 -6.738 1.527 -3.054 538 HB2 SER 72 HB2 SER 72 -5.797 2.914 -0.520 539 HB3 SER 72 HB1 SER 72 -5.757 3.635 -2.137 540 HG SER 72 HG SER 72 -7.704 4.247 -1.597 541 H LEU 73 HN LEU 73 -4.280 0.791 -0.458 542 HA LEU 73 HA LEU 73 -1.977 1.115 -2.053 543 HB2 LEU 73 HB2 LEU 73 -2.439 -0.778 0.284 544 HB3 LEU 73 HB1 LEU 73 -0.888 -0.640 -0.521 545 HG LEU 73 HG LEU 73 -0.701 0.612 1.461 546 HD11 LEU 73 HD11 LEU 73 -0.265 2.893 0.726 547 HD12 LEU 73 HD12 LEU 73 -1.200 2.624 -0.745 548 HD13 LEU 73 HD13 LEU 73 0.295 1.725 -0.470 549 HD21 LEU 73 HD21 LEU 73 -2.244 2.334 2.199 550 HD22 LEU 73 HD22 LEU 73 -3.065 0.787 2.026 551 HD23 LEU 73 HD23 LEU 73 -3.281 2.040 0.801 552 H ALA 74 HN ALA 74 -4.003 -1.718 -1.464 553 HA ALA 74 HA ALA 74 -2.520 -3.628 -2.874 554 HB1 ALA 74 HB1 ALA 74 -4.505 -5.024 -2.743 555 HB2 ALA 74 HB2 ALA 74 -5.498 -3.620 -2.325 556 HB3 ALA 74 HB3 ALA 74 -4.250 -4.180 -1.211 557 H LEU 75 HN LEU 75 -5.083 -1.420 -3.931 558 HA LEU 75 HA LEU 75 -5.479 -2.494 -6.526 559 HB2 LEU 75 HB2 LEU 75 -6.382 -0.090 -5.051 560 HB3 LEU 75 HB1 LEU 75 -6.174 0.214 -6.758 561 HG LEU 75 HG LEU 75 -8.469 -0.321 -6.442 562 HD11 LEU 75 HD11 LEU 75 -7.465 -1.309 -8.447 563 HD12 LEU 75 HD12 LEU 75 -8.803 -2.277 -7.841 564 HD13 LEU 75 HD13 LEU 75 -7.144 -2.805 -7.561 565 HD21 LEU 75 HD21 LEU 75 -7.624 -2.812 -4.943 566 HD22 LEU 75 HD22 LEU 75 -9.280 -2.390 -5.384 567 HD23 LEU 75 HD23 LEU 75 -8.383 -1.374 -4.260 568 H PHE 76 HN PHE 76 -3.548 0.279 -5.351 569 HA PHE 76 HA PHE 76 -2.469 1.112 -7.792 570 HB2 PHE 76 HB2 PHE 76 -1.474 1.377 -4.941 571 HB3 PHE 76 HB1 PHE 76 -0.477 1.945 -6.275 572 HD1 PHE 76 HD1 PHE 76 -1.398 3.738 -7.837 573 HD2 PHE 76 HD2 PHE 76 -3.322 2.737 -4.155 574 HE1 PHE 76 HE1 PHE 76 -2.642 5.858 -7.899 575 HE2 PHE 76 HE2 PHE 76 -4.557 4.854 -4.227 576 HZ PHE 76 HZ PHE 76 -4.222 6.423 -6.093 577 H VAL 77 HN VAL 77 -1.150 -1.249 -5.445 578 HA VAL 77 HA VAL 77 1.131 -1.863 -7.060 579 HB VAL 77 HB VAL 77 1.665 -3.660 -5.488 580 HG11 VAL 77 HG11 VAL 77 1.907 -2.307 -3.428 581 HG12 VAL 77 HG12 VAL 77 0.751 -1.132 -4.058 582 HG13 VAL 77 HG13 VAL 77 2.299 -1.365 -4.871 583 HG21 VAL 77 HG21 VAL 77 -0.999 -3.065 -4.165 584 HG22 VAL 77 HG22 VAL 77 0.240 -4.160 -3.547 585 HG23 VAL 77 HG23 VAL 77 -0.591 -4.532 -5.058 586 H GLU 78 HN GLU 78 -2.157 -3.237 -6.967 587 HA GLU 78 HA GLU 78 -1.766 -5.542 -8.539 588 HB2 GLU 78 HB2 GLU 78 -4.091 -3.561 -8.661 589 HB3 GLU 78 HB1 GLU 78 -4.060 -5.054 -9.582 590 HG2 GLU 78 HG2 GLU 78 -4.186 -4.764 -6.582 591 HG3 GLU 78 HG1 GLU 78 -5.465 -5.317 -7.653 592 H HIS 79 HN HIS 79 -2.220 -2.158 -9.470 593 HA HIS 79 HA HIS 79 -2.042 -2.532 -12.285 594 HB2 HIS 79 HB2 HIS 79 -1.735 -0.068 -10.527 595 HB3 HIS 79 HB1 HIS 79 -1.657 0.007 -12.284 596 HD1 HIS 79 HD1 HIS 79 -3.746 1.291 -12.743 597 HD2 HIS 79 HD2 HIS 79 -4.456 -1.969 -10.268 598 HE1 HIS 79 HE1 HIS 79 -6.232 1.177 -12.474 599 HE2 HIS 79 HE2 HIS 79 -6.644 -0.807 -10.986 600 H LYS 80 HN LYS 80 0.380 -1.742 -9.795 601 HA LYS 80 HA LYS 80 2.449 -0.847 -11.492 602 HB2 LYS 80 HB2 LYS 80 2.691 -2.091 -8.728 603 HB3 LYS 80 HB1 LYS 80 3.982 -1.223 -9.551 604 HG2 LYS 80 HG2 LYS 80 1.374 -0.084 -8.522 605 HG3 LYS 80 HG1 LYS 80 2.993 0.214 -7.893 606 HD2 LYS 80 HD2 LYS 80 2.048 1.015 -10.661 607 HD3 LYS 80 HD1 LYS 80 2.056 2.088 -9.265 608 HE2 LYS 80 HE2 LYS 80 4.542 1.761 -9.095 609 HE3 LYS 80 HE1 LYS 80 4.482 0.820 -10.585 610 HZ1 LYS 80 HZ1 LYS 80 3.669 3.659 -10.303 611 HZ2 LYS 80 HZ2 LYS 80 3.600 2.760 -11.726 612 HZ3 LYS 80 HZ3 LYS 80 5.093 3.106 -11.021 613 H LEU 81 HN LEU 81 2.011 -4.006 -9.919 614 HA LEU 81 HA LEU 81 4.352 -5.141 -11.143 615 HB2 LEU 81 HB2 LEU 81 2.134 -6.370 -9.468 616 HB3 LEU 81 HB1 LEU 81 3.435 -7.331 -10.145 617 HG LEU 81 HG LEU 81 3.980 -6.887 -7.834 618 HD11 LEU 81 HD11 LEU 81 6.148 -5.750 -7.981 619 HD12 LEU 81 HD12 LEU 81 5.714 -5.093 -9.561 620 HD13 LEU 81 HD13 LEU 81 5.901 -6.835 -9.348 621 HD21 LEU 81 HD21 LEU 81 4.215 -4.638 -6.866 622 HD22 LEU 81 HD22 LEU 81 2.569 -4.932 -7.421 623 HD23 LEU 81 HD23 LEU 81 3.650 -3.920 -8.380 624 H SER 82 HN SER 82 1.142 -4.692 -12.238 625 HA SER 82 HA SER 82 1.367 -6.738 -14.352 626 HB2 SER 82 HB2 SER 82 -0.895 -4.830 -13.637 627 HB3 SER 82 HB1 SER 82 -0.968 -6.062 -14.902 628 HG SER 82 HG SER 82 -0.609 -6.479 -12.113 629 H HIS 83 HN HIS 83 1.889 -3.357 -13.832 630 HA HIS 83 HA HIS 83 2.731 -2.825 -16.526 631 HB2 HIS 83 HB2 HIS 83 0.327 -2.579 -16.926 632 HB3 HIS 83 HB1 HIS 83 0.140 -1.554 -15.509 633 HD1 HIS 83 HD1 HIS 83 -0.073 0.836 -16.100 634 HD2 HIS 83 HD2 HIS 83 2.237 -1.195 -18.888 635 HE1 HIS 83 HE1 HIS 83 0.533 2.535 -17.835 636 HE2 HIS 83 HE2 HIS 83 2.022 1.314 -19.449 637 H282 PNS 84 H282 PNS 84 9.591 15.727 7.072 638 H281 PNS 84 H281 PNS 84 9.641 14.346 8.151 639 H303 PNS 84 H303 PNS 84 6.731 13.537 5.117 640 H302 PNS 84 H302 PNS 84 6.447 14.361 6.652 641 H301 PNS 84 H301 PNS 84 7.093 15.263 5.282 642 H313 PNS 84 H313 PNS 84 8.243 11.831 5.953 643 H312 PNS 84 H312 PNS 84 9.589 12.192 7.032 644 H311 PNS 84 H311 PNS 84 7.926 12.365 7.602 645 H32 PNS 84 H32 PNS 84 9.782 15.178 4.868 646 H33 PNS 84 H33 PNS 84 11.281 13.303 4.467 647 H36 PNS 84 H36 PNS 84 9.324 11.672 4.329 648 H372 PNS 84 H372 PNS 84 8.480 12.107 1.568 649 H371 PNS 84 H371 PNS 84 8.738 10.546 2.375 650 H382 PNS 84 H382 PNS 84 6.666 10.799 3.632 651 H381 PNS 84 H381 PNS 84 6.410 12.401 2.958 652 H41 PNS 84 H41 PNS 84 4.388 10.879 2.913 653 H422 PNS 84 H422 PNS 84 3.387 10.774 0.364 654 H421 PNS 84 H421 PNS 84 4.028 9.150 0.658 655 H431 PNS 84 H431 PNS 84 2.062 10.547 2.483 656 H432 PNS 84 H432 PNS 84 2.612 8.867 2.572 657 H44 PNS 84 H44 PNS 84 -0.098 9.451 1.481 Start of MODEL 19 1 H MET 1 HT1 MET 1 -9.294 -9.549 -3.736 2 HA MET 1 HA MET 1 -7.384 -8.836 -5.867 3 HB2 MET 1 HB2 MET 1 -8.685 -7.041 -4.252 4 HB3 MET 1 HB1 MET 1 -7.340 -7.443 -3.193 5 HG2 MET 1 HG2 MET 1 -6.941 -5.434 -4.603 6 HG3 MET 1 HG1 MET 1 -5.749 -6.711 -4.862 7 HE1 MET 1 HE1 MET 1 -9.076 -5.085 -6.367 8 HE2 MET 1 HE2 MET 1 -9.455 -6.805 -6.316 9 HE3 MET 1 HE3 MET 1 -9.220 -6.000 -7.865 10 H GLN 2 HN GLN 2 -5.231 -9.499 -5.452 11 HA GLN 2 HA GLN 2 -5.032 -11.646 -3.431 12 HB2 GLN 2 HB2 GLN 2 -2.983 -12.374 -4.780 13 HB3 GLN 2 HB1 GLN 2 -4.543 -12.564 -5.553 14 HG2 GLN 2 HG2 GLN 2 -3.030 -10.053 -6.158 15 HG3 GLN 2 HG1 GLN 2 -2.405 -11.552 -6.828 16 HE21 GLN 2 HE21 GLN 2 -5.873 -11.107 -6.441 17 HE22 GLN 2 HE22 GLN 2 -6.214 -10.911 -8.114 18 H HIS 3 HN HIS 3 -3.446 -8.645 -4.435 19 HA HIS 3 HA HIS 3 -1.083 -9.123 -2.874 20 HB2 HIS 3 HB2 HIS 3 -1.998 -6.726 -4.483 21 HB3 HIS 3 HB1 HIS 3 -0.499 -6.722 -3.552 22 HD1 HIS 3 HD1 HIS 3 0.600 -9.486 -4.245 23 HD2 HIS 3 HD2 HIS 3 -1.036 -6.904 -7.040 24 HE1 HIS 3 HE1 HIS 3 1.633 -10.123 -6.430 25 HE2 HIS 3 HE2 HIS 3 0.447 -8.706 -8.125 26 H LEU 4 HN LEU 4 -4.155 -7.922 -1.990 27 HA LEU 4 HA LEU 4 -3.604 -5.868 -0.186 28 HB2 LEU 4 HB2 LEU 4 -5.738 -6.170 0.747 29 HB3 LEU 4 HB1 LEU 4 -5.919 -6.748 -0.899 30 HG LEU 4 HG LEU 4 -5.601 -8.537 1.554 31 HD11 LEU 4 HD11 LEU 4 -7.965 -9.088 1.323 32 HD12 LEU 4 HD12 LEU 4 -8.123 -7.936 -0.006 33 HD13 LEU 4 HD13 LEU 4 -7.742 -7.363 1.618 34 HD21 LEU 4 HD21 LEU 4 -4.759 -9.652 -0.455 35 HD22 LEU 4 HD22 LEU 4 -6.269 -9.316 -1.301 36 HD23 LEU 4 HD23 LEU 4 -6.259 -10.402 0.089 37 H GLU 5 HN GLU 5 -3.113 -9.320 0.185 38 HA GLU 5 HA GLU 5 -2.873 -9.338 3.033 39 HB2 GLU 5 HB2 GLU 5 -3.636 -11.336 1.853 40 HB3 GLU 5 HB1 GLU 5 -2.110 -11.450 0.981 41 HG2 GLU 5 HG2 GLU 5 -0.906 -11.930 3.036 42 HG3 GLU 5 HG1 GLU 5 -2.354 -11.655 4.001 43 H ALA 6 HN ALA 6 -0.567 -9.366 0.341 44 HA ALA 6 HA ALA 6 1.811 -9.458 1.896 45 HB1 ALA 6 HB1 ALA 6 2.966 -8.764 -0.148 46 HB2 ALA 6 HB2 ALA 6 1.423 -8.347 -0.902 47 HB3 ALA 6 HB3 ALA 6 1.781 -10.026 -0.493 48 H VAL 7 HN VAL 7 -0.209 -6.813 0.721 49 HA VAL 7 HA VAL 7 1.506 -4.665 1.434 50 HB VAL 7 HB VAL 7 -1.538 -4.674 1.058 51 HG11 VAL 7 HG11 VAL 7 0.377 -2.293 1.174 52 HG12 VAL 7 HG12 VAL 7 -0.794 -2.736 2.415 53 HG13 VAL 7 HG13 VAL 7 -1.352 -2.221 0.832 54 HG21 VAL 7 HG21 VAL 7 -1.062 -3.678 -1.174 55 HG22 VAL 7 HG22 VAL 7 -0.384 -5.301 -1.015 56 HG23 VAL 7 HG23 VAL 7 0.673 -3.892 -0.895 57 H ARG 8 HN ARG 8 -1.246 -6.258 3.110 58 HA ARG 8 HA ARG 8 -1.178 -4.554 5.428 59 HB2 ARG 8 HB2 ARG 8 -2.806 -6.001 6.432 60 HB3 ARG 8 HB1 ARG 8 -3.213 -5.863 4.728 61 HG2 ARG 8 HG2 ARG 8 -2.140 -8.087 4.345 62 HG3 ARG 8 HG1 ARG 8 -1.878 -8.225 6.083 63 HD2 ARG 8 HD2 ARG 8 -4.330 -8.105 6.437 64 HD3 ARG 8 HD1 ARG 8 -4.573 -7.992 4.692 65 HE ARG 8 HE ARG 8 -3.192 -10.282 4.880 66 HH11 ARG 8 HH11 ARG 8 -5.933 -9.196 6.774 67 HH12 ARG 8 HH12 ARG 8 -6.601 -10.786 6.945 68 HH21 ARG 8 HH21 ARG 8 -4.129 -12.372 5.071 69 HH22 ARG 8 HH22 ARG 8 -5.605 -12.564 5.969 70 H ASN 9 HN ASN 9 0.501 -7.453 4.453 71 HA ASN 9 HA ASN 9 1.601 -8.287 6.910 72 HB2 ASN 9 HB2 ASN 9 1.730 -9.694 4.935 73 HB3 ASN 9 HB1 ASN 9 2.593 -8.456 4.038 74 HD21 ASN 9 HD21 ASN 9 4.330 -9.681 3.530 75 HD22 ASN 9 HD22 ASN 9 5.465 -10.289 4.676 76 H ILE 10 HN ILE 10 2.791 -6.118 4.373 77 HA ILE 10 HA ILE 10 5.178 -5.207 5.533 78 HB ILE 10 HB ILE 10 3.299 -3.829 3.561 79 HG12 ILE 10 HG12 ILE 10 5.857 -5.416 3.027 80 HG13 ILE 10 HG11 ILE 10 4.230 -6.043 2.818 81 HG21 ILE 10 HG21 ILE 10 6.179 -3.111 4.199 82 HG22 ILE 10 HG22 ILE 10 4.756 -2.134 4.566 83 HG23 ILE 10 HG23 ILE 10 5.222 -2.416 2.889 84 HD11 ILE 10 HD11 ILE 10 5.468 -3.773 1.272 85 HD12 ILE 10 HD12 ILE 10 3.823 -4.377 1.065 86 HD13 ILE 10 HD13 ILE 10 5.198 -5.417 0.701 87 H LEU 11 HN LEU 11 1.877 -3.915 5.739 88 HA LEU 11 HA LEU 11 2.506 -1.560 7.212 89 HB2 LEU 11 HB2 LEU 11 -0.116 -3.073 6.945 90 HB3 LEU 11 HB1 LEU 11 0.043 -1.442 7.590 91 HG LEU 11 HG LEU 11 0.861 -2.184 4.758 92 HD11 LEU 11 HD11 LEU 11 -1.254 -1.214 3.993 93 HD12 LEU 11 HD12 LEU 11 -1.781 -1.041 5.668 94 HD13 LEU 11 HD13 LEU 11 -1.504 -2.645 4.989 95 HD21 LEU 11 HD21 LEU 11 1.928 -0.137 5.609 96 HD22 LEU 11 HD22 LEU 11 0.349 0.537 6.013 97 HD23 LEU 11 HD23 LEU 11 0.776 0.233 4.328 98 H GLY 12 HN GLY 12 1.370 -4.786 8.176 99 HA2 GLY 12 HA2 GLY 12 1.268 -4.272 10.980 100 HA3 GLY 12 HA1 GLY 12 1.255 -5.840 10.200 101 H ASP 13 HN ASP 13 3.830 -4.973 8.790 102 HA ASP 13 HA ASP 13 5.712 -5.960 10.736 103 HB2 ASP 13 HB2 ASP 13 5.762 -6.585 8.312 104 HB3 ASP 13 HB1 ASP 13 6.089 -4.909 7.890 105 H VAL 14 HN VAL 14 5.262 -2.933 8.909 106 HA VAL 14 HA VAL 14 7.497 -1.573 10.068 107 HB VAL 14 HB VAL 14 5.231 -0.588 8.275 108 HG11 VAL 14 HG11 VAL 14 6.614 1.454 7.879 109 HG12 VAL 14 HG12 VAL 14 7.718 0.935 9.153 110 HG13 VAL 14 HG13 VAL 14 6.046 1.335 9.545 111 HG21 VAL 14 HG21 VAL 14 6.742 -2.212 7.209 112 HG22 VAL 14 HG22 VAL 14 8.145 -1.233 7.651 113 HG23 VAL 14 HG23 VAL 14 6.957 -0.609 6.501 114 H LEU 15 HN LEU 15 3.934 -1.198 10.399 115 HA LEU 15 HA LEU 15 4.249 0.757 12.551 116 HB2 LEU 15 HB2 LEU 15 1.689 -0.458 11.451 117 HB3 LEU 15 HB1 LEU 15 1.770 0.831 12.632 118 HG LEU 15 HG LEU 15 1.344 2.120 10.787 119 HD11 LEU 15 HD11 LEU 15 4.333 1.842 10.419 120 HD12 LEU 15 HD12 LEU 15 3.516 2.884 11.589 121 HD13 LEU 15 HD13 LEU 15 3.315 3.177 9.864 122 HD21 LEU 15 HD21 LEU 15 1.079 0.262 9.226 123 HD22 LEU 15 HD22 LEU 15 2.825 0.189 8.983 124 HD23 LEU 15 HD23 LEU 15 1.917 1.614 8.467 125 H ASN 16 HN ASN 16 4.374 -2.550 12.360 126 HA ASN 16 HA ASN 16 4.598 -4.195 13.829 127 HB2 ASN 16 HB2 ASN 16 6.048 -2.374 14.906 128 HB3 ASN 16 HB1 ASN 16 4.722 -2.086 16.020 129 HD21 ASN 16 HD21 ASN 16 7.483 -3.019 16.423 130 HD22 ASN 16 HD22 ASN 16 7.362 -4.489 17.325 131 H LEU 17 HN LEU 17 2.113 -3.989 13.023 132 HA LEU 17 HA LEU 17 0.171 -4.109 15.161 133 HB2 LEU 17 HB2 LEU 17 0.085 -5.017 12.255 134 HB3 LEU 17 HB1 LEU 17 -1.237 -5.337 13.361 135 HG LEU 17 HG LEU 17 -1.640 -2.923 13.636 136 HD11 LEU 17 HD11 LEU 17 -0.529 -1.253 12.215 137 HD12 LEU 17 HD12 LEU 17 0.586 -2.493 11.631 138 HD13 LEU 17 HD13 LEU 17 0.596 -2.024 13.332 139 HD21 LEU 17 HD21 LEU 17 -1.552 -3.773 10.722 140 HD22 LEU 17 HD22 LEU 17 -2.537 -2.469 11.395 141 HD23 LEU 17 HD23 LEU 17 -2.841 -4.137 11.876 142 H GLY 18 HN GLY 18 2.434 -6.296 13.663 143 HA2 GLY 18 HA2 GLY 18 3.075 -8.438 14.053 144 HA3 GLY 18 HA1 GLY 18 2.251 -8.332 15.604 145 H GLU 19 HN GLU 19 0.066 -8.932 15.738 146 HA GLU 19 HA GLU 19 -0.704 -11.061 13.866 147 HB2 GLU 19 HB2 GLU 19 -2.221 -11.775 15.671 148 HB3 GLU 19 HB1 GLU 19 -0.584 -11.553 16.284 149 HG2 GLU 19 HG2 GLU 19 -1.264 -9.285 17.124 150 HG3 GLU 19 HG1 GLU 19 -2.915 -9.639 16.627 151 H ARG 20 HN ARG 20 -1.720 -7.837 14.845 152 HA ARG 20 HA ARG 20 -4.516 -8.106 14.336 153 HB2 ARG 20 HB2 ARG 20 -3.471 -6.373 15.844 154 HB3 ARG 20 HB1 ARG 20 -2.922 -5.505 14.422 155 HG2 ARG 20 HG2 ARG 20 -5.871 -6.087 14.770 156 HG3 ARG 20 HG1 ARG 20 -5.133 -4.775 15.685 157 HD2 ARG 20 HD2 ARG 20 -4.526 -3.616 13.657 158 HD3 ARG 20 HD1 ARG 20 -4.992 -4.992 12.661 159 HE ARG 20 HE ARG 20 -7.323 -4.537 13.647 160 HH11 ARG 20 HH11 ARG 20 -5.026 -2.031 12.786 161 HH12 ARG 20 HH12 ARG 20 -6.259 -0.843 12.517 162 HH21 ARG 20 HH21 ARG 20 -8.910 -2.982 13.239 163 HH22 ARG 20 HH22 ARG 20 -8.450 -1.375 12.777 164 H LYS 21 HN LYS 21 -1.814 -7.369 12.267 165 HA LYS 21 HA LYS 21 -3.088 -6.183 10.074 166 HB2 LYS 21 HB2 LYS 21 -1.187 -6.878 8.742 167 HB3 LYS 21 HB1 LYS 21 -0.649 -6.305 10.318 168 HG2 LYS 21 HG2 LYS 21 -0.431 -8.643 11.078 169 HG3 LYS 21 HG1 LYS 21 -0.927 -9.199 9.477 170 HD2 LYS 21 HD2 LYS 21 1.077 -7.910 8.561 171 HD3 LYS 21 HD1 LYS 21 1.598 -7.700 10.236 172 HE2 LYS 21 HE2 LYS 21 1.529 -10.181 10.492 173 HE3 LYS 21 HE1 LYS 21 1.188 -10.299 8.765 174 HZ1 LYS 21 HZ1 LYS 21 3.318 -9.096 8.383 175 HZ2 LYS 21 HZ2 LYS 21 3.512 -10.620 9.087 176 HZ3 LYS 21 HZ3 LYS 21 3.654 -9.228 10.039 177 H HIS 22 HN HIS 22 -3.123 -9.467 11.177 178 HA HIS 22 HA HIS 22 -3.969 -10.682 8.691 179 HB2 HIS 22 HB2 HIS 22 -2.546 -11.841 10.419 180 HB3 HIS 22 HB1 HIS 22 -3.921 -11.848 11.513 181 HD1 HIS 22 HD1 HIS 22 -2.349 -13.711 8.780 182 HD2 HIS 22 HD2 HIS 22 -6.074 -13.629 10.615 183 HE1 HIS 22 HE1 HIS 22 -3.475 -15.854 8.115 184 HE2 HIS 22 HE2 HIS 22 -5.747 -15.759 9.201 185 H THR 23 HN THR 23 -5.547 -9.213 11.449 186 HA THR 23 HA THR 23 -8.140 -10.482 10.861 187 HB THR 23 HB THR 23 -7.325 -10.304 13.259 188 HG1 THR 23 HG1 THR 23 -9.370 -10.425 13.757 189 HG21 THR 23 HG21 THR 23 -6.445 -7.998 13.243 190 HG22 THR 23 HG22 THR 23 -7.689 -8.191 14.473 191 HG23 THR 23 HG23 THR 23 -8.069 -7.370 12.959 192 H LEU 24 HN LEU 24 -6.545 -7.851 9.652 193 HA LEU 24 HA LEU 24 -9.090 -6.411 9.111 194 HB2 LEU 24 HB2 LEU 24 -7.760 -4.421 8.524 195 HB3 LEU 24 HB1 LEU 24 -7.527 -4.929 10.172 196 HG LEU 24 HG LEU 24 -5.285 -5.974 9.346 197 HD11 LEU 24 HD11 LEU 24 -4.248 -4.876 7.402 198 HD12 LEU 24 HD12 LEU 24 -5.784 -4.095 7.015 199 HD13 LEU 24 HD13 LEU 24 -5.639 -5.852 6.937 200 HD21 LEU 24 HD21 LEU 24 -5.400 -4.015 10.809 201 HD22 LEU 24 HD22 LEU 24 -5.614 -2.953 9.415 202 HD23 LEU 24 HD23 LEU 24 -4.101 -3.837 9.634 203 H THR 25 HN THR 25 -9.500 -5.710 6.959 204 HA THR 25 HA THR 25 -8.281 -7.413 4.854 205 HB THR 25 HB THR 25 -10.591 -7.605 3.853 206 HG1 THR 25 HG1 THR 25 -12.371 -7.111 5.302 207 HG21 THR 25 HG21 THR 25 -9.721 -9.482 5.206 208 HG22 THR 25 HG22 THR 25 -11.465 -9.314 5.417 209 HG23 THR 25 HG23 THR 25 -10.366 -8.736 6.670 210 H ALA 26 HN ALA 26 -9.622 -6.422 2.643 211 HA ALA 26 HA ALA 26 -8.088 -4.082 2.102 212 HB1 ALA 26 HB1 ALA 26 -9.099 -4.172 -0.140 213 HB2 ALA 26 HB2 ALA 26 -10.271 -5.365 0.425 214 HB3 ALA 26 HB3 ALA 26 -8.557 -5.767 0.376 215 H SER 27 HN SER 27 -11.317 -4.517 3.267 216 HA SER 27 HA SER 27 -12.354 -1.919 2.585 217 HB2 SER 27 HB2 SER 27 -13.290 -3.903 4.702 218 HB3 SER 27 HB1 SER 27 -14.213 -2.527 4.089 219 HG SER 27 HG SER 27 -13.590 -3.753 1.949 220 H SER 28 HN SER 28 -10.247 -3.085 5.057 221 HA SER 28 HA SER 28 -10.891 -1.271 7.169 222 HB2 SER 28 HB2 SER 28 -9.779 -3.464 7.569 223 HB3 SER 28 HB1 SER 28 -8.338 -2.876 6.738 224 HG SER 28 HG SER 28 -9.183 -2.434 9.292 225 H VAL 29 HN VAL 29 -9.997 0.615 7.724 226 HA VAL 29 HA VAL 29 -8.686 2.244 5.728 227 HB VAL 29 HB VAL 29 -9.472 2.884 8.626 228 HG11 VAL 29 HG11 VAL 29 -9.491 5.264 7.944 229 HG12 VAL 29 HG12 VAL 29 -8.898 4.807 6.344 230 HG13 VAL 29 HG13 VAL 29 -7.889 4.542 7.766 231 HG21 VAL 29 HG21 VAL 29 -11.441 2.151 7.353 232 HG22 VAL 29 HG22 VAL 29 -11.095 3.334 6.089 233 HG23 VAL 29 HG23 VAL 29 -11.544 3.877 7.708 234 H LEU 30 HN LEU 30 -6.636 3.420 6.211 235 HA LEU 30 HA LEU 30 -4.850 2.060 8.163 236 HB2 LEU 30 HB2 LEU 30 -3.996 3.537 5.651 237 HB3 LEU 30 HB1 LEU 30 -2.955 2.657 6.758 238 HG LEU 30 HG LEU 30 -5.025 1.463 4.881 239 HD11 LEU 30 HD11 LEU 30 -2.990 2.219 3.773 240 HD12 LEU 30 HD12 LEU 30 -3.095 0.461 3.765 241 HD13 LEU 30 HD13 LEU 30 -2.004 1.273 4.893 242 HD21 LEU 30 HD21 LEU 30 -4.237 -0.761 5.637 243 HD22 LEU 30 HD22 LEU 30 -5.017 0.133 6.937 244 HD23 LEU 30 HD23 LEU 30 -3.258 0.009 6.889 245 H LEU 31 HN LEU 31 -4.773 5.171 6.362 246 HA LEU 31 HA LEU 31 -3.826 6.748 8.474 247 HB2 LEU 31 HB2 LEU 31 -5.451 7.478 6.008 248 HB3 LEU 31 HB1 LEU 31 -4.759 8.674 7.087 249 HG LEU 31 HG LEU 31 -3.171 6.673 5.435 250 HD11 LEU 31 HD11 LEU 31 -3.557 9.651 5.021 251 HD12 LEU 31 HD12 LEU 31 -4.272 8.365 4.046 252 HD13 LEU 31 HD13 LEU 31 -2.526 8.584 4.061 253 HD21 LEU 31 HD21 LEU 31 -1.997 7.308 7.517 254 HD22 LEU 31 HD22 LEU 31 -2.156 9.010 7.086 255 HD23 LEU 31 HD23 LEU 31 -1.185 7.930 6.083 256 H GLY 32 HN GLY 32 -4.825 6.962 10.363 257 HA2 GLY 32 HA2 GLY 32 -6.511 8.057 11.680 258 HA3 GLY 32 HA1 GLY 32 -7.729 7.574 10.504 259 H ASN 33 HN ASN 33 -6.718 4.832 10.255 260 HA ASN 33 HA ASN 33 -8.095 3.613 12.490 261 HB2 ASN 33 HB2 ASN 33 -8.261 2.700 10.168 262 HB3 ASN 33 HB1 ASN 33 -6.548 2.315 10.191 263 HD21 ASN 33 HD21 ASN 33 -8.336 0.379 9.575 264 HD22 ASN 33 HD22 ASN 33 -8.470 -0.781 10.846 265 H ILE 34 HN ILE 34 -4.782 3.400 11.161 266 HA ILE 34 HA ILE 34 -3.815 1.948 13.463 267 HB ILE 34 HB ILE 34 -2.068 3.068 11.232 268 HG12 ILE 34 HG12 ILE 34 -3.880 1.791 10.109 269 HG13 ILE 34 HG11 ILE 34 -2.350 0.943 9.972 270 HG21 ILE 34 HG21 ILE 34 -1.748 0.673 13.084 271 HG22 ILE 34 HG22 ILE 34 -0.893 2.210 13.206 272 HG23 ILE 34 HG23 ILE 34 -0.601 1.148 11.826 273 HD11 ILE 34 HD11 ILE 34 -4.145 -0.608 10.373 274 HD12 ILE 34 HD12 ILE 34 -4.623 0.257 11.832 275 HD13 ILE 34 HD13 ILE 34 -3.072 -0.583 11.772 276 HA PRO 35 HA PRO 35 -2.764 5.978 15.351 277 HB2 PRO 35 HB2 PRO 35 -2.176 5.100 17.849 278 HB3 PRO 35 HB1 PRO 35 -3.843 5.140 17.253 279 HG2 PRO 35 HG2 PRO 35 -1.946 2.802 17.431 280 HG3 PRO 35 HG1 PRO 35 -3.669 2.880 17.866 281 HD2 PRO 35 HD2 PRO 35 -2.735 1.868 15.471 282 HD3 PRO 35 HD1 PRO 35 -4.350 2.561 15.664 283 H GLU 36 HN GLU 36 -0.761 3.342 14.607 284 HA GLU 36 HA GLU 36 1.727 4.515 15.633 285 HB2 GLU 36 HB2 GLU 36 1.313 1.866 14.188 286 HB3 GLU 36 HB1 GLU 36 2.734 2.366 15.096 287 HG2 GLU 36 HG2 GLU 36 -0.010 1.802 16.262 288 HG3 GLU 36 HG1 GLU 36 1.379 0.721 16.320 289 H LEU 37 HN LEU 37 -0.189 4.721 12.914 290 HA LEU 37 HA LEU 37 1.921 4.782 10.904 291 HB2 LEU 37 HB2 LEU 37 -0.359 3.887 10.410 292 HB3 LEU 37 HB1 LEU 37 -1.034 5.483 10.684 293 HG LEU 37 HG LEU 37 0.093 6.360 8.690 294 HD11 LEU 37 HD11 LEU 37 1.427 4.930 7.194 295 HD12 LEU 37 HD12 LEU 37 1.312 3.597 8.344 296 HD13 LEU 37 HD13 LEU 37 2.181 5.069 8.780 297 HD21 LEU 37 HD21 LEU 37 -1.085 5.057 6.963 298 HD22 LEU 37 HD22 LEU 37 -2.102 5.281 8.387 299 HD23 LEU 37 HD23 LEU 37 -1.310 3.724 8.100 300 H ASP 38 HN ASP 38 3.197 6.340 11.934 301 HA ASP 38 HA ASP 38 2.364 9.057 12.404 302 HB2 ASP 38 HB2 ASP 38 3.970 7.907 13.892 303 HB3 ASP 38 HB1 ASP 38 5.030 7.562 12.538 304 H SER 39 HN SER 39 3.711 10.813 11.466 305 HA SER 39 HA SER 39 3.788 11.334 8.817 306 HB2 SER 39 HB2 SER 39 4.223 12.954 10.617 307 HB3 SER 39 HB1 SER 39 5.753 12.158 10.997 308 H MET 40 HN MET 40 6.801 10.356 10.548 309 HA MET 40 HA MET 40 8.192 9.745 8.112 310 HB2 MET 40 HB2 MET 40 8.931 9.159 11.001 311 HB3 MET 40 HB1 MET 40 9.991 8.885 9.621 312 HG2 MET 40 HG2 MET 40 8.904 11.557 10.521 313 HG3 MET 40 HG1 MET 40 10.557 10.979 10.719 314 HE1 MET 40 HE1 MET 40 11.059 9.547 7.807 315 HE2 MET 40 HE2 MET 40 12.228 10.551 8.668 316 HE3 MET 40 HE3 MET 40 11.827 10.907 6.988 317 H ALA 41 HN ALA 41 6.050 7.952 10.078 318 HA ALA 41 HA ALA 41 6.903 5.325 9.284 319 HB1 ALA 41 HB1 ALA 41 4.885 4.525 10.345 320 HB2 ALA 41 HB2 ALA 41 4.236 6.163 10.430 321 HB3 ALA 41 HB3 ALA 41 5.658 5.729 11.378 322 H VAL 42 HN VAL 42 4.656 7.735 7.841 323 HA VAL 42 HA VAL 42 3.647 5.923 5.865 324 HB VAL 42 HB VAL 42 2.779 7.720 4.586 325 HG11 VAL 42 HG11 VAL 42 1.540 9.100 6.197 326 HG12 VAL 42 HG12 VAL 42 2.649 8.607 7.475 327 HG13 VAL 42 HG13 VAL 42 1.609 7.409 6.701 328 HG21 VAL 42 HG21 VAL 42 4.644 9.692 5.960 329 HG22 VAL 42 HG22 VAL 42 3.364 10.133 4.838 330 HG23 VAL 42 HG23 VAL 42 4.732 9.167 4.283 331 H VAL 43 HN VAL 43 6.458 8.039 6.084 332 HA VAL 43 HA VAL 43 7.565 7.555 3.505 333 HB VAL 43 HB VAL 43 9.125 8.063 6.077 334 HG11 VAL 43 HG11 VAL 43 10.822 9.104 4.614 335 HG12 VAL 43 HG12 VAL 43 9.878 8.661 3.192 336 HG13 VAL 43 HG13 VAL 43 10.584 7.404 4.207 337 HG21 VAL 43 HG21 VAL 43 8.901 10.466 5.549 338 HG22 VAL 43 HG22 VAL 43 7.342 9.698 5.852 339 HG23 VAL 43 HG23 VAL 43 7.833 10.067 4.196 340 H ASN 44 HN ASN 44 7.892 5.871 6.562 341 HA ASN 44 HA ASN 44 9.887 4.019 5.818 342 HB2 ASN 44 HB2 ASN 44 9.195 4.793 8.168 343 HB3 ASN 44 HB1 ASN 44 7.858 3.655 8.044 344 HD21 ASN 44 HD21 ASN 44 8.738 2.601 9.909 345 HD22 ASN 44 HD22 ASN 44 10.080 1.524 9.761 346 H VAL 45 HN VAL 45 6.321 3.759 5.764 347 HA VAL 45 HA VAL 45 6.291 0.982 5.010 348 HB VAL 45 HB VAL 45 3.882 1.281 4.411 349 HG11 VAL 45 HG11 VAL 45 3.044 1.738 6.681 350 HG12 VAL 45 HG12 VAL 45 4.618 2.399 7.129 351 HG13 VAL 45 HG13 VAL 45 4.467 0.695 6.700 352 HG21 VAL 45 HG21 VAL 45 4.288 4.177 5.202 353 HG22 VAL 45 HG22 VAL 45 2.725 3.414 4.886 354 HG23 VAL 45 HG23 VAL 45 3.908 3.583 3.584 355 H ILE 46 HN ILE 46 6.270 4.062 3.197 356 HA ILE 46 HA ILE 46 5.806 3.000 0.610 357 HB ILE 46 HB ILE 46 7.408 5.457 1.459 358 HG12 ILE 46 HG12 ILE 46 4.627 5.224 0.208 359 HG13 ILE 46 HG11 ILE 46 4.931 5.447 1.924 360 HG21 ILE 46 HG21 ILE 46 6.616 4.688 -1.388 361 HG22 ILE 46 HG22 ILE 46 8.257 4.769 -0.748 362 HG23 ILE 46 HG23 ILE 46 7.305 6.242 -0.904 363 HD11 ILE 46 HD11 ILE 46 5.608 7.398 -0.262 364 HD12 ILE 46 HD12 ILE 46 5.930 7.624 1.459 365 HD13 ILE 46 HD13 ILE 46 4.270 7.505 0.880 366 H THR 47 HN THR 47 8.819 3.591 2.383 367 HA THR 47 HA THR 47 10.720 2.642 0.560 368 HB THR 47 HB THR 47 10.843 2.431 3.605 369 HG1 THR 47 HG1 THR 47 10.647 4.574 2.078 370 HG21 THR 47 HG21 THR 47 13.302 2.581 3.327 371 HG22 THR 47 HG22 THR 47 13.112 2.601 1.574 372 HG23 THR 47 HG23 THR 47 12.671 1.159 2.490 373 H ALA 48 HN ALA 48 8.951 0.950 3.113 374 HA ALA 48 HA ALA 48 10.039 -1.622 2.828 375 HB1 ALA 48 HB1 ALA 48 8.778 -0.871 4.804 376 HB2 ALA 48 HB2 ALA 48 8.109 -2.365 4.142 377 HB3 ALA 48 HB3 ALA 48 7.296 -0.825 3.847 378 H LEU 49 HN LEU 49 7.174 -0.142 1.249 379 HA LEU 49 HA LEU 49 6.221 -2.368 -0.166 380 HB2 LEU 49 HB2 LEU 49 5.900 0.596 -0.426 381 HB3 LEU 49 HB1 LEU 49 5.638 -0.279 -1.914 382 HG LEU 49 HG LEU 49 3.504 0.139 -0.809 383 HD11 LEU 49 HD11 LEU 49 4.207 -2.801 -0.665 384 HD12 LEU 49 HD12 LEU 49 3.711 -1.917 -2.108 385 HD13 LEU 49 HD13 LEU 49 2.584 -2.116 -0.773 386 HD21 LEU 49 HD21 LEU 49 4.556 -1.425 1.564 387 HD22 LEU 49 HD22 LEU 49 2.905 -0.837 1.359 388 HD23 LEU 49 HD23 LEU 49 4.232 0.309 1.515 389 H GLU 50 HN GLU 50 8.605 0.098 -1.115 390 HA GLU 50 HA GLU 50 9.408 -0.721 -3.636 391 HB2 GLU 50 HB2 GLU 50 11.396 0.197 -1.510 392 HB3 GLU 50 HB1 GLU 50 11.530 0.395 -3.249 393 HG2 GLU 50 HG2 GLU 50 9.499 1.798 -1.503 394 HG3 GLU 50 HG1 GLU 50 11.033 2.486 -2.005 395 H GLU 51 HN GLU 51 10.656 -1.792 -0.479 396 HA GLU 51 HA GLU 51 12.687 -3.531 -1.344 397 HB2 GLU 51 HB2 GLU 51 11.072 -3.706 1.240 398 HB3 GLU 51 HB1 GLU 51 12.632 -4.468 0.955 399 HG2 GLU 51 HG2 GLU 51 12.085 -1.495 1.106 400 HG3 GLU 51 HG1 GLU 51 12.872 -2.475 2.335 401 H TYR 52 HN TYR 52 9.454 -4.429 -0.081 402 HA TYR 52 HA TYR 52 9.872 -7.212 -0.405 403 HB2 TYR 52 HB2 TYR 52 7.338 -5.633 0.170 404 HB3 TYR 52 HB1 TYR 52 7.401 -7.395 0.172 405 HD1 TYR 52 HD1 TYR 52 8.988 -8.556 1.856 406 HD2 TYR 52 HD2 TYR 52 8.007 -4.416 2.150 407 HE1 TYR 52 HE1 TYR 52 9.723 -8.540 4.204 408 HE2 TYR 52 HE2 TYR 52 8.743 -4.396 4.485 409 HH TYR 52 HH TYR 52 9.057 -5.932 6.329 410 H PHE 53 HN PHE 53 7.945 -4.895 -2.386 411 HA PHE 53 HA PHE 53 7.236 -7.034 -4.271 412 HB2 PHE 53 HB2 PHE 53 6.470 -4.113 -4.089 413 HB3 PHE 53 HB1 PHE 53 6.080 -5.069 -5.508 414 HD1 PHE 53 HD1 PHE 53 4.363 -6.821 -5.410 415 HD2 PHE 53 HD2 PHE 53 5.277 -4.470 -1.953 416 HE1 PHE 53 HE1 PHE 53 2.271 -7.555 -4.356 417 HE2 PHE 53 HE2 PHE 53 3.172 -5.211 -0.909 418 HZ PHE 53 HZ PHE 53 1.669 -6.751 -2.107 419 H ASP 54 HN ASP 54 9.846 -4.836 -3.935 420 HA ASP 54 HA ASP 54 11.753 -4.593 -5.124 421 HB2 ASP 54 HB2 ASP 54 11.505 -7.104 -5.455 422 HB3 ASP 54 HB1 ASP 54 10.705 -6.781 -6.987 423 H PHE 55 HN PHE 55 9.640 -2.847 -5.632 424 HA PHE 55 HA PHE 55 10.094 -2.011 -8.438 425 HB2 PHE 55 HB2 PHE 55 7.789 -1.655 -8.884 426 HB3 PHE 55 HB1 PHE 55 7.825 -3.231 -8.116 427 HD1 PHE 55 HD1 PHE 55 7.871 -2.567 -5.216 428 HD2 PHE 55 HD2 PHE 55 5.693 -0.723 -8.400 429 HE1 PHE 55 HE1 PHE 55 6.143 -1.827 -3.628 430 HE2 PHE 55 HE2 PHE 55 3.983 0.008 -6.796 431 HZ PHE 55 HZ PHE 55 4.204 -0.547 -4.413 432 H SER 56 HN SER 56 8.973 0.321 -8.640 433 HA SER 56 HA SER 56 9.356 1.867 -6.152 434 HB2 SER 56 HB2 SER 56 11.092 2.387 -7.893 435 HB3 SER 56 HB1 SER 56 9.805 2.884 -8.994 436 HG SER 56 HG SER 56 10.183 4.008 -6.410 437 H VAL 57 HN VAL 57 7.600 2.992 -5.491 438 HA VAL 57 HA VAL 57 5.169 3.163 -7.096 439 HB VAL 57 HB VAL 57 5.717 4.460 -4.365 440 HG11 VAL 57 HG11 VAL 57 3.248 4.480 -4.124 441 HG12 VAL 57 HG12 VAL 57 3.083 3.816 -5.751 442 HG13 VAL 57 HG13 VAL 57 3.783 5.420 -5.518 443 HG21 VAL 57 HG21 VAL 57 4.433 1.743 -4.848 444 HG22 VAL 57 HG22 VAL 57 4.635 2.547 -3.287 445 HG23 VAL 57 HG23 VAL 57 6.050 2.016 -4.193 446 H ASP 58 HN ASP 58 4.692 4.915 -8.376 447 HA ASP 58 HA ASP 58 6.731 6.893 -8.874 448 HB2 ASP 58 HB2 ASP 58 5.443 5.810 -10.706 449 HB3 ASP 58 HB1 ASP 58 3.961 6.552 -10.114 450 H ASP 59 HN ASP 59 6.499 9.186 -8.726 451 HA ASP 59 HA ASP 59 5.489 10.301 -6.427 452 HB2 ASP 59 HB2 ASP 59 7.237 11.355 -7.765 453 HB3 ASP 59 HB1 ASP 59 6.116 11.628 -9.093 454 H ASP 60 HN ASP 60 3.918 10.172 -9.601 455 HA ASP 60 HA ASP 60 1.754 11.938 -9.055 456 HB2 ASP 60 HB2 ASP 60 2.596 11.403 -11.335 457 HB3 ASP 60 HB1 ASP 60 2.005 9.757 -11.170 458 H GLU 61 HN GLU 61 2.296 8.674 -8.155 459 HA GLU 61 HA GLU 61 -0.555 8.270 -7.413 460 HB2 GLU 61 HB2 GLU 61 -0.122 5.838 -7.519 461 HB3 GLU 61 HB1 GLU 61 0.154 6.623 -9.069 462 HG2 GLU 61 HG2 GLU 61 2.573 6.583 -8.673 463 HG3 GLU 61 HG1 GLU 61 2.308 5.815 -7.109 464 H ILE 62 HN ILE 62 2.260 9.244 -6.046 465 HA ILE 62 HA ILE 62 1.760 7.901 -3.455 466 HB ILE 62 HB ILE 62 4.007 9.775 -4.341 467 HG12 ILE 62 HG12 ILE 62 3.953 6.834 -3.537 468 HG13 ILE 62 HG11 ILE 62 4.328 7.490 -5.122 469 HG21 ILE 62 HG21 ILE 62 3.579 8.614 -1.559 470 HG22 ILE 62 HG22 ILE 62 3.440 10.316 -2.008 471 HG23 ILE 62 HG23 ILE 62 5.006 9.512 -2.093 472 HD11 ILE 62 HD11 ILE 62 6.005 7.718 -2.630 473 HD12 ILE 62 HD12 ILE 62 6.391 8.471 -4.185 474 HD13 ILE 62 HD13 ILE 62 6.309 6.713 -4.050 475 H SER 63 HN SER 63 -0.058 8.794 -2.607 476 HA SER 63 HA SER 63 0.202 11.545 -1.600 477 HB2 SER 63 HB2 SER 63 -2.215 11.969 -2.095 478 HB3 SER 63 HB1 SER 63 -1.290 11.724 -3.577 479 HG SER 63 HG SER 63 -2.031 9.513 -3.527 480 H ALA 64 HN ALA 64 -1.466 11.883 0.203 481 HA ALA 64 HA ALA 64 -1.625 9.730 2.054 482 HB1 ALA 64 HB1 ALA 64 -3.255 12.294 1.968 483 HB2 ALA 64 HB2 ALA 64 -1.705 12.086 2.781 484 HB3 ALA 64 HB3 ALA 64 -3.123 11.204 3.349 485 H GLN 65 HN GLN 65 -3.724 10.867 -0.530 486 HA GLN 65 HA GLN 65 -6.057 9.364 0.063 487 HB2 GLN 65 HB2 GLN 65 -5.079 10.277 -2.676 488 HB3 GLN 65 HB1 GLN 65 -6.726 9.812 -2.259 489 HG2 GLN 65 HG2 GLN 65 -5.217 12.244 -1.271 490 HG3 GLN 65 HG1 GLN 65 -6.571 12.223 -2.397 491 HE21 GLN 65 HE21 GLN 65 -5.611 12.004 0.945 492 HE22 GLN 65 HE22 GLN 65 -7.194 12.075 1.627 493 H THR 66 HN THR 66 -2.990 8.442 -1.281 494 HA THR 66 HA THR 66 -3.785 5.974 -2.507 495 HB THR 66 HB THR 66 -1.054 6.834 -1.439 496 HG1 THR 66 HG1 THR 66 -1.453 6.926 -4.152 497 HG21 THR 66 HG21 THR 66 -1.744 4.683 -3.486 498 HG22 THR 66 HG22 THR 66 -1.099 4.403 -1.871 499 HG23 THR 66 HG23 THR 66 -0.114 5.222 -3.082 500 H PHE 67 HN PHE 67 -2.678 6.951 0.737 501 HA PHE 67 HA PHE 67 -2.679 4.172 1.714 502 HB2 PHE 67 HB2 PHE 67 -1.527 6.740 2.853 503 HB3 PHE 67 HB1 PHE 67 -1.559 5.229 3.760 504 HD1 PHE 67 HD2 PHE 67 -0.230 6.792 0.629 505 HD2 PHE 67 HD1 PHE 67 0.079 3.526 3.370 506 HE1 PHE 67 HE2 PHE 67 1.818 6.030 -0.500 507 HE2 PHE 67 HE1 PHE 67 2.122 2.769 2.228 508 HZ PHE 67 HZ PHE 67 2.990 4.014 0.294 509 H GLU 68 HN GLU 68 -5.123 5.992 1.294 510 HA GLU 68 HA GLU 68 -6.290 6.510 3.812 511 HB2 GLU 68 HB2 GLU 68 -8.450 6.644 2.603 512 HB3 GLU 68 HB1 GLU 68 -7.174 7.552 1.801 513 HG2 GLU 68 HG2 GLU 68 -6.936 5.864 0.099 514 HG3 GLU 68 HG1 GLU 68 -8.012 4.770 0.960 515 H THR 69 HN THR 69 -6.574 3.629 1.694 516 HA THR 69 HA THR 69 -7.353 1.978 3.991 517 HB THR 69 HB THR 69 -9.516 2.686 3.048 518 HG1 THR 69 HG1 THR 69 -9.593 0.604 3.789 519 HG21 THR 69 HG21 THR 69 -10.228 2.086 0.769 520 HG22 THR 69 HG22 THR 69 -8.614 1.468 0.414 521 HG23 THR 69 HG23 THR 69 -8.851 3.189 0.723 522 H LEU 70 HN LEU 70 -7.113 -0.299 3.609 523 HA LEU 70 HA LEU 70 -4.717 -1.029 2.372 524 HB2 LEU 70 HB2 LEU 70 -5.772 -2.259 4.267 525 HB3 LEU 70 HB1 LEU 70 -7.034 -2.829 3.189 526 HG LEU 70 HG LEU 70 -5.270 -4.051 1.849 527 HD11 LEU 70 HD11 LEU 70 -3.059 -4.408 2.827 528 HD12 LEU 70 HD12 LEU 70 -3.430 -3.265 4.120 529 HD13 LEU 70 HD13 LEU 70 -3.331 -2.709 2.446 530 HD21 LEU 70 HD21 LEU 70 -4.911 -5.892 3.483 531 HD22 LEU 70 HD22 LEU 70 -6.573 -5.324 3.456 532 HD23 LEU 70 HD23 LEU 70 -5.507 -4.844 4.775 533 H GLY 71 HN GLY 71 -8.022 -1.108 1.206 534 HA2 GLY 71 HA2 GLY 71 -7.795 -2.704 -1.090 535 HA3 GLY 71 HA1 GLY 71 -8.969 -1.423 -0.847 536 H SER 72 HN SER 72 -7.252 0.784 -0.660 537 HA SER 72 HA SER 72 -6.839 1.476 -3.349 538 HB2 SER 72 HB2 SER 72 -5.641 2.776 -0.862 539 HB3 SER 72 HB1 SER 72 -5.718 3.511 -2.467 540 HG SER 72 HG SER 72 -7.497 4.269 -1.551 541 H LEU 73 HN LEU 73 -4.432 0.643 -0.788 542 HA LEU 73 HA LEU 73 -2.121 0.870 -2.407 543 HB2 LEU 73 HB2 LEU 73 -2.574 -0.815 0.086 544 HB3 LEU 73 HB1 LEU 73 -1.015 -0.668 -0.702 545 HG LEU 73 HG LEU 73 -0.976 0.767 1.186 546 HD11 LEU 73 HD11 LEU 73 -0.566 2.971 0.222 547 HD12 LEU 73 HD12 LEU 73 -1.400 2.507 -1.258 548 HD13 LEU 73 HD13 LEU 73 0.099 1.697 -0.798 549 HD21 LEU 73 HD21 LEU 73 -3.519 2.096 0.230 550 HD22 LEU 73 HD22 LEU 73 -2.606 2.453 1.700 551 HD23 LEU 73 HD23 LEU 73 -3.416 0.903 1.529 552 H ALA 74 HN ALA 74 -4.243 -1.857 -1.695 553 HA ALA 74 HA ALA 74 -2.826 -3.951 -2.872 554 HB1 ALA 74 HB1 ALA 74 -4.962 -5.142 -2.979 555 HB2 ALA 74 HB2 ALA 74 -5.843 -3.628 -2.730 556 HB3 ALA 74 HB3 ALA 74 -4.821 -4.276 -1.445 557 H LEU 75 HN LEU 75 -5.239 -1.724 -4.289 558 HA LEU 75 HA LEU 75 -5.213 -2.898 -6.888 559 HB2 LEU 75 HB2 LEU 75 -6.423 -0.424 -5.702 560 HB3 LEU 75 HB1 LEU 75 -6.198 -0.416 -7.438 561 HG LEU 75 HG LEU 75 -8.465 -1.125 -6.919 562 HD11 LEU 75 HD11 LEU 75 -7.398 -2.126 -8.891 563 HD12 LEU 75 HD12 LEU 75 -8.568 -3.222 -8.162 564 HD13 LEU 75 HD13 LEU 75 -6.841 -3.490 -7.914 565 HD21 LEU 75 HD21 LEU 75 -8.966 -3.185 -5.674 566 HD22 LEU 75 HD22 LEU 75 -8.138 -2.004 -4.664 567 HD23 LEU 75 HD23 LEU 75 -7.250 -3.388 -5.304 568 H PHE 76 HN PHE 76 -3.406 -0.156 -5.474 569 HA PHE 76 HA PHE 76 -2.205 0.750 -7.862 570 HB2 PHE 76 HB2 PHE 76 -1.422 1.008 -4.943 571 HB3 PHE 76 HB1 PHE 76 -0.300 1.541 -6.191 572 HD1 PHE 76 HD1 PHE 76 -1.155 3.253 -7.927 573 HD2 PHE 76 HD2 PHE 76 -3.193 2.470 -4.252 574 HE1 PHE 76 HE1 PHE 76 -2.347 5.391 -8.127 575 HE2 PHE 76 HE2 PHE 76 -4.374 4.615 -4.458 576 HZ PHE 76 HZ PHE 76 -3.957 6.079 -6.396 577 H VAL 77 HN VAL 77 -0.919 -1.556 -5.414 578 HA VAL 77 HA VAL 77 1.407 -2.204 -6.930 579 HB VAL 77 HB VAL 77 1.830 -4.020 -5.329 580 HG11 VAL 77 HG11 VAL 77 1.988 -2.668 -3.269 581 HG12 VAL 77 HG12 VAL 77 0.865 -1.490 -3.948 582 HG13 VAL 77 HG13 VAL 77 2.447 -1.728 -4.687 583 HG21 VAL 77 HG21 VAL 77 -0.451 -4.874 -5.037 584 HG22 VAL 77 HG22 VAL 77 -0.912 -3.405 -4.174 585 HG23 VAL 77 HG23 VAL 77 0.279 -4.507 -3.473 586 H GLU 78 HN GLU 78 -1.885 -3.533 -6.989 587 HA GLU 78 HA GLU 78 -1.449 -5.878 -8.493 588 HB2 GLU 78 HB2 GLU 78 -3.758 -3.895 -8.621 589 HB3 GLU 78 HB1 GLU 78 -3.741 -5.388 -9.548 590 HG2 GLU 78 HG2 GLU 78 -3.658 -5.221 -6.538 591 HG3 GLU 78 HG1 GLU 78 -5.107 -5.497 -7.487 592 H HIS 79 HN HIS 79 -1.963 -2.512 -9.515 593 HA HIS 79 HA HIS 79 -1.851 -2.946 -12.305 594 HB2 HIS 79 HB2 HIS 79 -1.251 -0.389 -10.766 595 HB3 HIS 79 HB1 HIS 79 -1.600 -0.487 -12.491 596 HD1 HIS 79 HD1 HIS 79 -3.307 1.310 -10.831 597 HD2 HIS 79 HD2 HIS 79 -4.252 -2.699 -11.395 598 HE1 HIS 79 HE1 HIS 79 -5.776 1.138 -10.446 599 HE2 HIS 79 HE2 HIS 79 -6.349 -1.263 -10.914 600 H LYS 80 HN LYS 80 0.632 -1.880 -9.998 601 HA LYS 80 HA LYS 80 2.617 -1.135 -11.835 602 HB2 LYS 80 HB2 LYS 80 3.023 -2.094 -8.973 603 HB3 LYS 80 HB1 LYS 80 4.171 -1.148 -9.916 604 HG2 LYS 80 HG2 LYS 80 1.459 -0.244 -8.922 605 HG3 LYS 80 HG1 LYS 80 3.028 0.285 -8.328 606 HD2 LYS 80 HD2 LYS 80 2.005 0.763 -11.151 607 HD3 LYS 80 HD1 LYS 80 1.892 1.931 -9.837 608 HE2 LYS 80 HE2 LYS 80 4.395 1.898 -9.664 609 HE3 LYS 80 HE1 LYS 80 4.438 0.849 -11.084 610 HZ1 LYS 80 HZ1 LYS 80 4.781 3.193 -11.638 611 HZ2 LYS 80 HZ2 LYS 80 3.255 3.570 -11.014 612 HZ3 LYS 80 HZ3 LYS 80 3.386 2.574 -12.372 613 H LEU 81 HN LEU 81 2.353 -4.107 -9.902 614 HA LEU 81 HA LEU 81 4.665 -5.333 -11.066 615 HB2 LEU 81 HB2 LEU 81 2.521 -6.395 -9.195 616 HB3 LEU 81 HB1 LEU 81 3.835 -7.397 -9.777 617 HG LEU 81 HG LEU 81 4.453 -6.703 -7.580 618 HD11 LEU 81 HD11 LEU 81 6.516 -5.420 -7.887 619 HD12 LEU 81 HD12 LEU 81 6.004 -4.968 -9.514 620 HD13 LEU 81 HD13 LEU 81 6.317 -6.660 -9.124 621 HD21 LEU 81 HD21 LEU 81 4.593 -4.353 -6.822 622 HD22 LEU 81 HD22 LEU 81 2.948 -4.855 -7.197 623 HD23 LEU 81 HD23 LEU 81 3.833 -3.833 -8.330 624 H SER 82 HN SER 82 1.388 -5.130 -12.104 625 HA SER 82 HA SER 82 1.556 -7.456 -13.874 626 HB2 SER 82 HB2 SER 82 -0.604 -5.340 -13.537 627 HB3 SER 82 HB1 SER 82 -0.716 -6.722 -14.634 628 HG SER 82 HG SER 82 -0.324 -6.911 -11.820 629 H HIS 83 HN HIS 83 2.038 -3.966 -14.024 630 HA HIS 83 HA HIS 83 2.044 -3.782 -16.908 631 HB2 HIS 83 HB2 HIS 83 2.804 -1.858 -14.686 632 HB3 HIS 83 HB1 HIS 83 3.192 -1.479 -16.359 633 HD1 HIS 83 HD1 HIS 83 1.634 0.497 -16.519 634 HD2 HIS 83 HD2 HIS 83 -0.330 -2.968 -15.366 635 HE1 HIS 83 HE1 HIS 83 -0.806 1.035 -16.642 636 HE2 HIS 83 HE2 HIS 83 -1.959 -1.019 -15.760 637 H282 PNS 84 H282 PNS 84 8.846 15.252 7.477 638 H281 PNS 84 H281 PNS 84 8.371 13.728 8.216 639 H303 PNS 84 H303 PNS 84 5.947 12.781 5.413 640 H302 PNS 84 H302 PNS 84 6.415 12.378 7.068 641 H301 PNS 84 H301 PNS 84 5.445 13.814 6.748 642 H313 PNS 84 H313 PNS 84 8.290 12.676 4.709 643 H312 PNS 84 H312 PNS 84 9.537 13.695 5.433 644 H311 PNS 84 H311 PNS 84 8.874 12.333 6.341 645 H32 PNS 84 H32 PNS 84 6.750 16.065 5.777 646 H33 PNS 84 H33 PNS 84 8.343 16.214 3.873 647 H36 PNS 84 H36 PNS 84 7.881 13.741 3.283 648 H372 PNS 84 H372 PNS 84 5.749 14.292 1.457 649 H371 PNS 84 H371 PNS 84 6.928 12.971 1.343 650 H382 PNS 84 H382 PNS 84 5.666 11.730 3.105 651 H381 PNS 84 H381 PNS 84 4.461 13.010 3.111 652 H41 PNS 84 H41 PNS 84 3.424 10.731 2.869 653 H422 PNS 84 H422 PNS 84 1.991 10.650 0.476 654 H421 PNS 84 H421 PNS 84 3.287 9.449 0.364 655 H431 PNS 84 H431 PNS 84 2.499 8.355 2.371 656 H432 PNS 84 H432 PNS 84 1.184 8.479 1.195 657 H44 PNS 84 H44 PNS 84 0.705 11.141 2.740 Start of MODEL 20 1 H MET 1 HT1 MET 1 -8.885 -10.571 -4.950 2 HA MET 1 HA MET 1 -7.427 -8.849 -5.731 3 HB2 MET 1 HB2 MET 1 -8.597 -7.123 -4.113 4 HB3 MET 1 HB1 MET 1 -7.438 -7.690 -2.921 5 HG2 MET 1 HG2 MET 1 -6.237 -5.925 -3.713 6 HG3 MET 1 HG1 MET 1 -5.728 -7.086 -4.932 7 HE1 MET 1 HE1 MET 1 -8.447 -7.242 -6.819 8 HE2 MET 1 HE2 MET 1 -6.823 -7.101 -7.494 9 HE3 MET 1 HE3 MET 1 -8.082 -5.972 -7.989 10 H GLN 2 HN GLN 2 -5.156 -9.337 -5.507 11 HA GLN 2 HA GLN 2 -4.626 -11.598 -3.677 12 HB2 GLN 2 HB2 GLN 2 -2.682 -12.109 -5.109 13 HB3 GLN 2 HB1 GLN 2 -4.187 -12.079 -6.014 14 HG2 GLN 2 HG2 GLN 2 -3.625 -10.065 -7.119 15 HG3 GLN 2 HG1 GLN 2 -2.349 -9.685 -5.967 16 HE21 GLN 2 HE21 GLN 2 -0.389 -10.747 -6.114 17 HE22 GLN 2 HE22 GLN 2 0.111 -11.591 -7.535 18 H HIS 3 HN HIS 3 -3.267 -8.390 -4.506 19 HA HIS 3 HA HIS 3 -0.859 -8.817 -3.007 20 HB2 HIS 3 HB2 HIS 3 -1.971 -6.403 -4.456 21 HB3 HIS 3 HB1 HIS 3 -0.482 -6.318 -3.517 22 HD1 HIS 3 HD1 HIS 3 1.264 -8.436 -4.319 23 HD2 HIS 3 HD2 HIS 3 -1.400 -6.856 -7.071 24 HE1 HIS 3 HE1 HIS 3 2.240 -8.938 -6.563 25 HE2 HIS 3 HE2 HIS 3 0.490 -8.175 -8.201 26 H LEU 4 HN LEU 4 -3.985 -7.845 -2.044 27 HA LEU 4 HA LEU 4 -3.492 -5.880 -0.109 28 HB2 LEU 4 HB2 LEU 4 -5.641 -6.214 0.725 29 HB3 LEU 4 HB1 LEU 4 -5.790 -6.806 -0.916 30 HG LEU 4 HG LEU 4 -5.484 -8.580 1.548 31 HD11 LEU 4 HD11 LEU 4 -7.852 -9.124 1.318 32 HD12 LEU 4 HD12 LEU 4 -8.005 -7.987 -0.023 33 HD13 LEU 4 HD13 LEU 4 -7.629 -7.398 1.599 34 HD21 LEU 4 HD21 LEU 4 -4.642 -9.699 -0.465 35 HD22 LEU 4 HD22 LEU 4 -6.156 -9.368 -1.305 36 HD23 LEU 4 HD23 LEU 4 -6.136 -10.449 0.089 37 H GLU 5 HN GLU 5 -2.956 -9.309 0.002 38 HA GLU 5 HA GLU 5 -2.704 -9.762 2.783 39 HB2 GLU 5 HB2 GLU 5 -3.117 -11.594 1.189 40 HB3 GLU 5 HB1 GLU 5 -1.603 -11.262 0.364 41 HG2 GLU 5 HG2 GLU 5 -1.298 -13.231 1.687 42 HG3 GLU 5 HG1 GLU 5 -0.365 -11.936 2.434 43 H ALA 6 HN ALA 6 -0.259 -9.302 0.213 44 HA ALA 6 HA ALA 6 1.987 -9.366 1.962 45 HB1 ALA 6 HB1 ALA 6 3.300 -8.688 0.022 46 HB2 ALA 6 HB2 ALA 6 1.821 -8.305 -0.869 47 HB3 ALA 6 HB3 ALA 6 2.169 -9.975 -0.406 48 H VAL 7 HN VAL 7 -0.075 -6.763 0.768 49 HA VAL 7 HA VAL 7 1.609 -4.581 1.512 50 HB VAL 7 HB VAL 7 -1.423 -4.645 1.079 51 HG11 VAL 7 HG11 VAL 7 0.419 -2.223 1.328 52 HG12 VAL 7 HG12 VAL 7 -0.787 -2.737 2.507 53 HG13 VAL 7 HG13 VAL 7 -1.298 -2.178 0.921 54 HG21 VAL 7 HG21 VAL 7 -0.910 -3.563 -1.108 55 HG22 VAL 7 HG22 VAL 7 -0.209 -5.177 -0.983 56 HG23 VAL 7 HG23 VAL 7 0.817 -3.754 -0.792 57 H ARG 8 HN ARG 8 -1.171 -6.190 3.141 58 HA ARG 8 HA ARG 8 -1.115 -4.526 5.486 59 HB2 ARG 8 HB2 ARG 8 -2.698 -6.072 6.486 60 HB3 ARG 8 HB1 ARG 8 -3.157 -5.773 4.818 61 HG2 ARG 8 HG2 ARG 8 -2.102 -7.981 4.204 62 HG3 ARG 8 HG1 ARG 8 -1.853 -8.278 5.928 63 HD2 ARG 8 HD2 ARG 8 -4.298 -8.102 6.292 64 HD3 ARG 8 HD1 ARG 8 -4.529 -7.836 4.560 65 HE ARG 8 HE ARG 8 -3.119 -10.248 4.972 66 HH11 ARG 8 HH11 ARG 8 -6.361 -8.928 5.370 67 HH12 ARG 8 HH12 ARG 8 -7.141 -10.463 5.163 68 HH21 ARG 8 HH21 ARG 8 -4.164 -12.257 4.748 69 HH22 ARG 8 HH22 ARG 8 -5.897 -12.347 4.813 70 H ASN 9 HN ASN 9 0.509 -7.439 4.470 71 HA ASN 9 HA ASN 9 1.539 -8.339 6.935 72 HB2 ASN 9 HB2 ASN 9 1.538 -9.727 4.917 73 HB3 ASN 9 HB1 ASN 9 2.592 -8.585 4.093 74 HD21 ASN 9 HD21 ASN 9 4.156 -10.088 3.673 75 HD22 ASN 9 HD22 ASN 9 5.180 -10.764 4.887 76 H ILE 10 HN ILE 10 2.811 -6.157 4.439 77 HA ILE 10 HA ILE 10 5.283 -5.513 5.583 78 HB ILE 10 HB ILE 10 3.524 -3.962 3.648 79 HG12 ILE 10 HG12 ILE 10 6.054 -5.611 3.202 80 HG13 ILE 10 HG11 ILE 10 4.421 -6.115 2.803 81 HG21 ILE 10 HG21 ILE 10 5.506 -2.550 3.107 82 HG22 ILE 10 HG22 ILE 10 6.375 -3.293 4.456 83 HG23 ILE 10 HG23 ILE 10 4.940 -2.315 4.762 84 HD11 ILE 10 HD11 ILE 10 4.275 -4.317 1.146 85 HD12 ILE 10 HD12 ILE 10 5.619 -5.415 0.836 86 HD13 ILE 10 HD13 ILE 10 5.929 -3.828 1.543 87 H LEU 11 HN LEU 11 2.219 -3.605 5.666 88 HA LEU 11 HA LEU 11 3.306 -1.571 7.322 89 HB2 LEU 11 HB2 LEU 11 0.475 -2.270 6.522 90 HB3 LEU 11 HB1 LEU 11 0.764 -1.051 7.753 91 HG LEU 11 HG LEU 11 2.238 0.170 6.054 92 HD11 LEU 11 HD11 LEU 11 1.884 -0.247 3.671 93 HD12 LEU 11 HD12 LEU 11 0.939 -1.689 4.049 94 HD13 LEU 11 HD13 LEU 11 2.654 -1.621 4.464 95 HD21 LEU 11 HD21 LEU 11 -0.714 -0.071 5.444 96 HD22 LEU 11 HD22 LEU 11 0.338 1.251 4.934 97 HD23 LEU 11 HD23 LEU 11 0.028 0.984 6.646 98 H GLY 12 HN GLY 12 1.586 -4.577 8.119 99 HA2 GLY 12 HA2 GLY 12 1.444 -4.037 10.941 100 HA3 GLY 12 HA1 GLY 12 1.180 -5.570 10.145 101 H ASP 13 HN ASP 13 3.946 -5.218 8.824 102 HA ASP 13 HA ASP 13 5.526 -6.446 10.914 103 HB2 ASP 13 HB2 ASP 13 5.722 -7.165 8.542 104 HB3 ASP 13 HB1 ASP 13 6.306 -5.568 8.104 105 H VAL 14 HN VAL 14 5.744 -3.433 9.030 106 HA VAL 14 HA VAL 14 8.016 -2.339 10.337 107 HB VAL 14 HB VAL 14 5.860 -0.899 8.704 108 HG11 VAL 14 HG11 VAL 14 8.680 0.021 9.396 109 HG12 VAL 14 HG12 VAL 14 7.176 0.701 10.017 110 HG13 VAL 14 HG13 VAL 14 7.570 0.860 8.306 111 HG21 VAL 14 HG21 VAL 14 6.899 -2.714 7.414 112 HG22 VAL 14 HG22 VAL 14 8.506 -2.082 7.771 113 HG23 VAL 14 HG23 VAL 14 7.390 -1.145 6.774 114 H LEU 15 HN LEU 15 4.539 -1.481 10.486 115 HA LEU 15 HA LEU 15 4.896 0.379 12.676 116 HB2 LEU 15 HB2 LEU 15 2.322 -0.697 11.490 117 HB3 LEU 15 HB1 LEU 15 2.478 0.709 12.528 118 HG LEU 15 HG LEU 15 3.557 0.469 9.692 119 HD11 LEU 15 HD11 LEU 15 1.816 2.081 9.079 120 HD12 LEU 15 HD12 LEU 15 1.184 2.043 10.728 121 HD13 LEU 15 HD13 LEU 15 1.122 0.593 9.720 122 HD21 LEU 15 HD21 LEU 15 3.596 2.858 11.569 123 HD22 LEU 15 HD22 LEU 15 4.071 2.876 9.869 124 HD23 LEU 15 HD23 LEU 15 4.996 1.926 11.027 125 H ASN 16 HN ASN 16 4.527 -2.973 12.461 126 HA ASN 16 HA ASN 16 4.447 -4.623 13.931 127 HB2 ASN 16 HB2 ASN 16 6.224 -3.350 15.031 128 HB3 ASN 16 HB1 ASN 16 5.043 -2.390 15.909 129 HD21 ASN 16 HD21 ASN 16 3.988 -3.298 17.647 130 HD22 ASN 16 HD22 ASN 16 4.516 -4.754 18.426 131 H LEU 17 HN LEU 17 2.121 -4.287 13.072 132 HA LEU 17 HA LEU 17 0.107 -4.044 15.162 133 HB2 LEU 17 HB2 LEU 17 -0.003 -4.802 12.216 134 HB3 LEU 17 HB1 LEU 17 -1.390 -5.050 13.249 135 HG LEU 17 HG LEU 17 -1.637 -2.997 11.936 136 HD11 LEU 17 HD11 LEU 17 -1.280 -2.382 14.882 137 HD12 LEU 17 HD12 LEU 17 -2.716 -3.064 14.118 138 HD13 LEU 17 HD13 LEU 17 -2.208 -1.428 13.718 139 HD21 LEU 17 HD21 LEU 17 -0.202 -1.042 12.250 140 HD22 LEU 17 HD22 LEU 17 0.718 -2.407 11.625 141 HD23 LEU 17 HD23 LEU 17 0.855 -1.965 13.329 142 H GLY 18 HN GLY 18 2.056 -6.513 13.642 143 HA2 GLY 18 HA2 GLY 18 2.457 -8.700 14.161 144 HA3 GLY 18 HA1 GLY 18 1.526 -8.477 15.637 145 H GLU 19 HN GLU 19 -0.462 -9.415 15.735 146 HA GLU 19 HA GLU 19 -1.398 -11.129 13.600 147 HB2 GLU 19 HB2 GLU 19 -3.096 -11.838 15.206 148 HB3 GLU 19 HB1 GLU 19 -1.535 -11.747 16.018 149 HG2 GLU 19 HG2 GLU 19 -2.195 -9.471 16.880 150 HG3 GLU 19 HG1 GLU 19 -3.794 -9.728 16.191 151 H ARG 20 HN ARG 20 -2.064 -7.910 14.701 152 HA ARG 20 HA ARG 20 -4.811 -7.657 14.083 153 HB2 ARG 20 HB2 ARG 20 -3.180 -6.128 15.533 154 HB3 ARG 20 HB1 ARG 20 -2.951 -5.255 14.030 155 HG2 ARG 20 HG2 ARG 20 -5.631 -5.680 15.401 156 HG3 ARG 20 HG1 ARG 20 -4.647 -4.231 15.560 157 HD2 ARG 20 HD2 ARG 20 -4.972 -3.692 13.225 158 HD3 ARG 20 HD1 ARG 20 -5.774 -5.229 12.921 159 HE ARG 20 HE ARG 20 -6.946 -2.838 13.932 160 HH11 ARG 20 HH11 ARG 20 -7.254 -6.332 14.346 161 HH12 ARG 20 HH12 ARG 20 -8.974 -6.263 14.555 162 HH21 ARG 20 HH21 ARG 20 -9.192 -2.790 14.181 163 HH22 ARG 20 HH22 ARG 20 -10.070 -4.260 14.463 164 H LYS 21 HN LYS 21 -1.905 -7.317 12.158 165 HA LYS 21 HA LYS 21 -2.936 -5.867 9.980 166 HB2 LYS 21 HB2 LYS 21 -0.943 -6.432 8.793 167 HB3 LYS 21 HB1 LYS 21 -0.519 -6.129 10.475 168 HG2 LYS 21 HG2 LYS 21 -0.493 -8.564 10.868 169 HG3 LYS 21 HG1 LYS 21 -0.823 -8.836 9.162 170 HD2 LYS 21 HD2 LYS 21 1.324 -7.630 8.651 171 HD3 LYS 21 HD1 LYS 21 1.639 -7.557 10.388 172 HE2 LYS 21 HE2 LYS 21 1.510 -10.033 10.465 173 HE3 LYS 21 HE1 LYS 21 1.329 -10.046 8.710 174 HZ1 LYS 21 HZ1 LYS 21 3.492 -8.967 8.529 175 HZ2 LYS 21 HZ2 LYS 21 3.624 -10.442 9.344 176 HZ3 LYS 21 HZ3 LYS 21 3.668 -8.989 10.210 177 H HIS 22 HN HIS 22 -3.017 -9.313 10.733 178 HA HIS 22 HA HIS 22 -3.750 -10.027 7.971 179 HB2 HIS 22 HB2 HIS 22 -2.099 -11.393 9.280 180 HB3 HIS 22 HB1 HIS 22 -3.379 -11.829 10.402 181 HD1 HIS 22 HD1 HIS 22 -2.212 -12.399 6.871 182 HD2 HIS 22 HD2 HIS 22 -5.029 -13.922 9.522 183 HE1 HIS 22 HE1 HIS 22 -3.068 -14.500 5.815 184 HE2 HIS 22 HE2 HIS 22 -4.810 -15.368 7.396 185 H THR 23 HN THR 23 -5.245 -9.371 11.009 186 HA THR 23 HA THR 23 -7.755 -10.744 10.342 187 HB THR 23 HB THR 23 -6.804 -10.860 12.693 188 HG1 THR 23 HG1 THR 23 -9.409 -9.699 12.520 189 HG21 THR 23 HG21 THR 23 -7.168 -8.991 14.225 190 HG22 THR 23 HG22 THR 23 -7.781 -7.994 12.905 191 HG23 THR 23 HG23 THR 23 -6.089 -8.493 12.920 192 H LEU 24 HN LEU 24 -6.438 -7.932 9.358 193 HA LEU 24 HA LEU 24 -9.079 -6.605 9.141 194 HB2 LEU 24 HB2 LEU 24 -7.905 -4.517 8.587 195 HB3 LEU 24 HB1 LEU 24 -7.467 -5.125 10.157 196 HG LEU 24 HG LEU 24 -5.309 -6.022 9.001 197 HD11 LEU 24 HD11 LEU 24 -4.526 -4.758 7.060 198 HD12 LEU 24 HD12 LEU 24 -6.099 -3.965 6.923 199 HD13 LEU 24 HD13 LEU 24 -5.961 -5.708 6.674 200 HD21 LEU 24 HD21 LEU 24 -4.144 -3.884 9.339 201 HD22 LEU 24 HD22 LEU 24 -5.284 -4.211 10.639 202 HD23 LEU 24 HD23 LEU 24 -5.694 -3.036 9.387 203 H THR 25 HN THR 25 -9.608 -5.678 7.081 204 HA THR 25 HA THR 25 -8.801 -7.427 4.829 205 HB THR 25 HB THR 25 -11.156 -6.884 3.958 206 HG1 THR 25 HG1 THR 25 -12.575 -5.883 5.303 207 HG21 THR 25 HG21 THR 25 -11.070 -8.348 6.627 208 HG22 THR 25 HG22 THR 25 -10.708 -9.068 5.055 209 HG23 THR 25 HG23 THR 25 -12.336 -8.485 5.407 210 H ALA 26 HN ALA 26 -9.661 -6.254 2.665 211 HA ALA 26 HA ALA 26 -8.004 -3.999 2.209 212 HB1 ALA 26 HB1 ALA 26 -8.990 -4.009 -0.055 213 HB2 ALA 26 HB2 ALA 26 -10.206 -5.168 0.485 214 HB3 ALA 26 HB3 ALA 26 -8.503 -5.626 0.457 215 H SER 27 HN SER 27 -11.371 -4.353 3.087 216 HA SER 27 HA SER 27 -12.162 -1.629 2.584 217 HB2 SER 27 HB2 SER 27 -14.238 -2.371 3.909 218 HB3 SER 27 HB1 SER 27 -13.877 -3.289 2.443 219 HG SER 27 HG SER 27 -14.026 -4.146 4.995 220 H SER 28 HN SER 28 -10.194 -2.937 4.971 221 HA SER 28 HA SER 28 -10.966 -1.221 7.175 222 HB2 SER 28 HB2 SER 28 -9.857 -3.411 7.590 223 HB3 SER 28 HB1 SER 28 -8.405 -2.833 6.780 224 HG SER 28 HG SER 28 -8.047 -1.415 8.425 225 H VAL 29 HN VAL 29 -9.992 0.652 7.798 226 HA VAL 29 HA VAL 29 -8.621 2.264 5.803 227 HB VAL 29 HB VAL 29 -9.501 2.943 8.658 228 HG11 VAL 29 HG11 VAL 29 -9.356 5.320 8.016 229 HG12 VAL 29 HG12 VAL 29 -8.735 4.865 6.427 230 HG13 VAL 29 HG13 VAL 29 -7.785 4.527 7.874 231 HG21 VAL 29 HG21 VAL 29 -11.475 4.017 7.639 232 HG22 VAL 29 HG22 VAL 29 -11.419 2.293 7.275 233 HG23 VAL 29 HG23 VAL 29 -10.958 3.468 6.042 234 H LEU 30 HN LEU 30 -6.531 3.226 6.154 235 HA LEU 30 HA LEU 30 -4.813 1.931 8.208 236 HB2 LEU 30 HB2 LEU 30 -4.008 2.883 5.440 237 HB3 LEU 30 HB1 LEU 30 -2.914 2.189 6.627 238 HG LEU 30 HG LEU 30 -5.233 0.704 5.311 239 HD11 LEU 30 HD11 LEU 30 -2.260 0.533 4.785 240 HD12 LEU 30 HD12 LEU 30 -3.486 1.180 3.699 241 HD13 LEU 30 HD13 LEU 30 -3.486 -0.537 4.100 242 HD21 LEU 30 HD21 LEU 30 -4.278 -1.325 6.340 243 HD22 LEU 30 HD22 LEU 30 -4.793 -0.168 7.564 244 HD23 LEU 30 HD23 LEU 30 -3.076 -0.342 7.190 245 H LEU 31 HN LEU 31 -4.425 4.755 6.036 246 HA LEU 31 HA LEU 31 -3.270 6.439 7.980 247 HB2 LEU 31 HB2 LEU 31 -3.242 6.524 5.343 248 HB3 LEU 31 HB1 LEU 31 -4.694 7.488 5.508 249 HG LEU 31 HG LEU 31 -2.011 8.226 6.743 250 HD11 LEU 31 HD11 LEU 31 -1.789 8.189 4.328 251 HD12 LEU 31 HD12 LEU 31 -1.730 9.840 4.936 252 HD13 LEU 31 HD13 LEU 31 -3.197 9.240 4.158 253 HD21 LEU 31 HD21 LEU 31 -3.887 9.298 7.901 254 HD22 LEU 31 HD22 LEU 31 -4.497 9.927 6.370 255 HD23 LEU 31 HD23 LEU 31 -2.945 10.485 7.000 256 H GLY 32 HN GLY 32 -4.221 7.565 9.567 257 HA2 GLY 32 HA2 GLY 32 -5.875 8.883 10.612 258 HA3 GLY 32 HA1 GLY 32 -7.089 8.241 9.513 259 H ASN 33 HN ASN 33 -6.245 5.463 9.854 260 HA ASN 33 HA ASN 33 -7.784 4.874 12.259 261 HB2 ASN 33 HB2 ASN 33 -8.267 3.709 10.120 262 HB3 ASN 33 HB1 ASN 33 -6.651 3.009 10.122 263 HD21 ASN 33 HD21 ASN 33 -7.158 0.859 10.321 264 HD22 ASN 33 HD22 ASN 33 -8.032 0.187 11.643 265 H ILE 34 HN ILE 34 -4.718 3.536 10.920 266 HA ILE 34 HA ILE 34 -4.039 2.148 13.281 267 HB ILE 34 HB ILE 34 -2.131 2.915 11.030 268 HG12 ILE 34 HG12 ILE 34 -4.092 1.726 10.084 269 HG13 ILE 34 HG11 ILE 34 -2.662 0.709 9.994 270 HG21 ILE 34 HG21 ILE 34 -1.936 0.677 13.068 271 HG22 ILE 34 HG22 ILE 34 -0.939 2.129 13.005 272 HG23 ILE 34 HG23 ILE 34 -0.819 0.926 11.721 273 HD11 ILE 34 HD11 ILE 34 -4.598 -0.593 10.611 274 HD12 ILE 34 HD12 ILE 34 -4.915 0.461 11.986 275 HD13 ILE 34 HD13 ILE 34 -3.466 -0.543 11.962 276 HA PRO 35 HA PRO 35 -2.533 5.827 15.435 277 HB2 PRO 35 HB2 PRO 35 -1.879 4.697 17.826 278 HB3 PRO 35 HB1 PRO 35 -3.560 4.883 17.309 279 HG2 PRO 35 HG2 PRO 35 -1.793 2.446 17.153 280 HG3 PRO 35 HG1 PRO 35 -3.475 2.574 17.722 281 HD2 PRO 35 HD2 PRO 35 -2.825 1.720 15.203 282 HD3 PRO 35 HD1 PRO 35 -4.332 2.582 15.553 283 H GLU 36 HN GLU 36 -0.622 3.239 14.364 284 HA GLU 36 HA GLU 36 1.928 4.302 15.355 285 HB2 GLU 36 HB2 GLU 36 1.316 1.803 13.715 286 HB3 GLU 36 HB1 GLU 36 2.870 2.206 14.439 287 HG2 GLU 36 HG2 GLU 36 0.303 1.492 15.884 288 HG3 GLU 36 HG1 GLU 36 1.767 0.521 15.776 289 H LEU 37 HN LEU 37 -0.130 4.556 12.681 290 HA LEU 37 HA LEU 37 1.942 4.993 10.657 291 HB2 LEU 37 HB2 LEU 37 -0.263 3.785 10.194 292 HB3 LEU 37 HB1 LEU 37 -1.090 5.312 10.394 293 HG LEU 37 HG LEU 37 -0.715 4.515 7.991 294 HD11 LEU 37 HD11 LEU 37 -0.258 6.710 7.066 295 HD12 LEU 37 HD12 LEU 37 0.391 7.263 8.612 296 HD13 LEU 37 HD13 LEU 37 -1.316 6.839 8.471 297 HD21 LEU 37 HD21 LEU 37 2.171 5.281 8.536 298 HD22 LEU 37 HD22 LEU 37 1.484 4.878 6.961 299 HD23 LEU 37 HD23 LEU 37 1.554 3.654 8.225 300 H ASP 38 HN ASP 38 2.984 6.738 11.691 301 HA ASP 38 HA ASP 38 1.609 9.356 11.698 302 HB2 ASP 38 HB2 ASP 38 2.765 8.361 13.829 303 HB3 ASP 38 HB1 ASP 38 4.285 8.682 13.009 304 H SER 39 HN SER 39 3.753 11.046 11.354 305 HA SER 39 HA SER 39 3.916 11.439 8.661 306 HB2 SER 39 HB2 SER 39 4.352 13.147 10.379 307 HB3 SER 39 HB1 SER 39 5.849 12.331 10.832 308 H MET 40 HN MET 40 6.957 10.629 10.430 309 HA MET 40 HA MET 40 8.384 9.798 8.146 310 HB2 MET 40 HB2 MET 40 8.916 9.114 11.066 311 HB3 MET 40 HB1 MET 40 10.035 8.818 9.738 312 HG2 MET 40 HG2 MET 40 9.044 11.543 10.587 313 HG3 MET 40 HG1 MET 40 10.600 10.833 11.029 314 HE1 MET 40 HE1 MET 40 10.345 13.708 9.639 315 HE2 MET 40 HE2 MET 40 11.671 13.592 8.480 316 HE3 MET 40 HE3 MET 40 11.864 12.947 10.111 317 H ALA 41 HN ALA 41 6.210 8.073 10.237 318 HA ALA 41 HA ALA 41 6.913 5.415 9.531 319 HB1 ALA 41 HB1 ALA 41 4.795 4.781 10.566 320 HB2 ALA 41 HB2 ALA 41 4.276 6.463 10.562 321 HB3 ALA 41 HB3 ALA 41 5.644 5.971 11.557 322 H VAL 42 HN VAL 42 4.721 7.797 7.963 323 HA VAL 42 HA VAL 42 3.599 5.971 6.074 324 HB VAL 42 HB VAL 42 2.773 7.748 4.765 325 HG11 VAL 42 HG11 VAL 42 1.777 9.396 6.280 326 HG12 VAL 42 HG12 VAL 42 2.923 8.942 7.539 327 HG13 VAL 42 HG13 VAL 42 1.737 7.773 6.965 328 HG21 VAL 42 HG21 VAL 42 3.577 10.114 4.737 329 HG22 VAL 42 HG22 VAL 42 4.811 8.975 4.202 330 HG23 VAL 42 HG23 VAL 42 4.895 9.659 5.816 331 H VAL 43 HN VAL 43 6.518 7.935 6.179 332 HA VAL 43 HA VAL 43 7.427 7.402 3.512 333 HB VAL 43 HB VAL 43 9.303 7.995 5.833 334 HG11 VAL 43 HG11 VAL 43 9.431 8.803 2.903 335 HG12 VAL 43 HG12 VAL 43 10.392 7.542 3.674 336 HG13 VAL 43 HG13 VAL 43 10.614 9.227 4.145 337 HG21 VAL 43 HG21 VAL 43 7.544 9.994 4.373 338 HG22 VAL 43 HG22 VAL 43 8.836 10.399 5.509 339 HG23 VAL 43 HG23 VAL 43 7.420 9.509 6.069 340 H ASN 44 HN ASN 44 7.988 5.871 6.603 341 HA ASN 44 HA ASN 44 9.971 4.016 5.888 342 HB2 ASN 44 HB2 ASN 44 8.038 4.277 8.197 343 HB3 ASN 44 HB1 ASN 44 9.091 2.862 8.092 344 HD21 ASN 44 HD21 ASN 44 8.966 5.217 10.000 345 HD22 ASN 44 HD22 ASN 44 10.579 5.829 10.033 346 H VAL 45 HN VAL 45 6.414 3.694 6.010 347 HA VAL 45 HA VAL 45 6.473 0.904 5.309 348 HB VAL 45 HB VAL 45 4.014 1.079 4.947 349 HG11 VAL 45 HG11 VAL 45 3.417 1.531 7.311 350 HG12 VAL 45 HG12 VAL 45 4.998 2.283 7.563 351 HG13 VAL 45 HG13 VAL 45 4.885 0.561 7.182 352 HG21 VAL 45 HG21 VAL 45 3.859 3.376 4.097 353 HG22 VAL 45 HG22 VAL 45 4.354 4.007 5.668 354 HG23 VAL 45 HG23 VAL 45 2.812 3.159 5.499 355 H ILE 46 HN ILE 46 6.213 3.932 3.425 356 HA ILE 46 HA ILE 46 5.646 2.775 0.888 357 HB ILE 46 HB ILE 46 7.284 5.277 1.512 358 HG12 ILE 46 HG12 ILE 46 4.400 5.030 0.542 359 HG13 ILE 46 HG11 ILE 46 4.867 5.319 2.213 360 HG21 ILE 46 HG21 ILE 46 6.970 5.951 -0.860 361 HG22 ILE 46 HG22 ILE 46 6.204 4.398 -1.201 362 HG23 ILE 46 HG23 ILE 46 7.906 4.460 -0.737 363 HD11 ILE 46 HD11 ILE 46 5.363 7.170 -0.124 364 HD12 ILE 46 HD12 ILE 46 5.856 7.469 1.546 365 HD13 ILE 46 HD13 ILE 46 4.146 7.359 1.137 366 H THR 47 HN THR 47 8.717 3.503 2.503 367 HA THR 47 HA THR 47 10.553 2.587 0.614 368 HB THR 47 HB THR 47 10.822 2.501 3.663 369 HG1 THR 47 HG1 THR 47 10.849 4.596 3.448 370 HG21 THR 47 HG21 THR 47 12.604 1.158 2.562 371 HG22 THR 47 HG22 THR 47 13.263 2.628 3.280 372 HG23 THR 47 HG23 THR 47 13.010 2.539 1.536 373 H ALA 48 HN ALA 48 8.918 0.850 3.238 374 HA ALA 48 HA ALA 48 10.147 -1.666 2.863 375 HB1 ALA 48 HB1 ALA 48 9.044 -1.020 4.942 376 HB2 ALA 48 HB2 ALA 48 8.372 -2.524 4.310 377 HB3 ALA 48 HB3 ALA 48 7.478 -1.015 4.126 378 H LEU 49 HN LEU 49 7.120 -0.309 1.471 379 HA LEU 49 HA LEU 49 6.188 -2.527 0.041 380 HB2 LEU 49 HB2 LEU 49 5.937 0.442 -0.289 381 HB3 LEU 49 HB1 LEU 49 5.628 -0.479 -1.739 382 HG LEU 49 HG LEU 49 3.554 0.122 -0.533 383 HD11 LEU 49 HD11 LEU 49 3.555 -1.847 -1.957 384 HD12 LEU 49 HD12 LEU 49 2.479 -2.072 -0.584 385 HD13 LEU 49 HD13 LEU 49 4.057 -2.861 -0.603 386 HD21 LEU 49 HD21 LEU 49 4.335 0.106 1.759 387 HD22 LEU 49 HD22 LEU 49 4.583 -1.639 1.705 388 HD23 LEU 49 HD23 LEU 49 2.952 -0.970 1.587 389 H GLU 50 HN GLU 50 8.502 -0.031 -0.963 390 HA GLU 50 HA GLU 50 9.297 -0.935 -3.471 391 HB2 GLU 50 HB2 GLU 50 11.197 0.349 -1.465 392 HB3 GLU 50 HB1 GLU 50 11.271 0.449 -3.216 393 HG2 GLU 50 HG2 GLU 50 9.064 1.671 -1.549 394 HG3 GLU 50 HG1 GLU 50 10.517 2.535 -2.023 395 H GLU 51 HN GLU 51 10.621 -1.766 -0.279 396 HA GLU 51 HA GLU 51 12.819 -3.318 -1.069 397 HB2 GLU 51 HB2 GLU 51 11.198 -3.369 1.509 398 HB3 GLU 51 HB1 GLU 51 12.720 -4.224 1.305 399 HG2 GLU 51 HG2 GLU 51 12.337 -1.218 1.184 400 HG3 GLU 51 HG1 GLU 51 13.005 -2.123 2.537 401 H TYR 52 HN TYR 52 9.642 -4.469 0.152 402 HA TYR 52 HA TYR 52 10.279 -7.223 -0.122 403 HB2 TYR 52 HB2 TYR 52 7.626 -5.837 0.369 404 HB3 TYR 52 HB1 TYR 52 7.791 -7.588 0.335 405 HD1 TYR 52 HD1 TYR 52 9.277 -8.727 2.070 406 HD2 TYR 52 HD2 TYR 52 8.229 -4.602 2.374 407 HE1 TYR 52 HE1 TYR 52 9.875 -8.740 4.455 408 HE2 TYR 52 HE2 TYR 52 8.828 -4.613 4.743 409 HH TYR 52 HH TYR 52 9.001 -6.246 6.578 410 H PHE 53 HN PHE 53 8.239 -5.076 -2.175 411 HA PHE 53 HA PHE 53 7.653 -7.280 -4.003 412 HB2 PHE 53 HB2 PHE 53 6.934 -4.347 -4.080 413 HB3 PHE 53 HB1 PHE 53 6.484 -5.471 -5.350 414 HD1 PHE 53 HD2 PHE 53 5.834 -4.446 -1.845 415 HD2 PHE 53 HD1 PHE 53 4.656 -7.047 -5.023 416 HE1 PHE 53 HE2 PHE 53 3.712 -4.926 -0.689 417 HE2 PHE 53 HE1 PHE 53 2.550 -7.509 -3.857 418 HZ PHE 53 HZ PHE 53 2.071 -6.454 -1.691 419 H ASP 54 HN ASP 54 10.084 -4.800 -3.753 420 HA ASP 54 HA ASP 54 11.909 -4.241 -4.959 421 HB2 ASP 54 HB2 ASP 54 11.290 -6.838 -6.421 422 HB3 ASP 54 HB1 ASP 54 12.712 -5.867 -6.790 423 H PHE 55 HN PHE 55 9.814 -2.774 -5.494 424 HA PHE 55 HA PHE 55 10.091 -2.072 -8.340 425 HB2 PHE 55 HB2 PHE 55 7.755 -1.904 -8.742 426 HB3 PHE 55 HB1 PHE 55 7.939 -3.440 -7.918 427 HD1 PHE 55 HD1 PHE 55 7.954 -2.827 -5.099 428 HD2 PHE 55 HD2 PHE 55 5.674 -0.971 -8.187 429 HE1 PHE 55 HE1 PHE 55 6.257 -2.161 -3.454 430 HE2 PHE 55 HE2 PHE 55 3.979 -0.315 -6.531 431 HZ PHE 55 HZ PHE 55 4.274 -0.907 -4.162 432 H SER 56 HN SER 56 8.749 0.176 -8.584 433 HA SER 56 HA SER 56 9.107 1.843 -6.183 434 HB2 SER 56 HB2 SER 56 11.001 2.187 -7.794 435 HB3 SER 56 HB1 SER 56 9.834 2.747 -8.991 436 HG SER 56 HG SER 56 9.997 3.902 -6.414 437 H VAL 57 HN VAL 57 7.165 2.549 -5.582 438 HA VAL 57 HA VAL 57 4.887 2.895 -7.279 439 HB VAL 57 HB VAL 57 5.279 4.289 -4.578 440 HG11 VAL 57 HG11 VAL 57 2.821 4.070 -4.376 441 HG12 VAL 57 HG12 VAL 57 2.758 3.283 -5.955 442 HG13 VAL 57 HG13 VAL 57 3.276 4.962 -5.830 443 HG21 VAL 57 HG21 VAL 57 4.316 1.427 -4.943 444 HG22 VAL 57 HG22 VAL 57 4.348 2.329 -3.425 445 HG23 VAL 57 HG23 VAL 57 5.857 1.919 -4.241 446 H ASP 58 HN ASP 58 4.216 4.765 -8.400 447 HA ASP 58 HA ASP 58 6.279 6.707 -8.994 448 HB2 ASP 58 HB2 ASP 58 4.834 5.752 -10.767 449 HB3 ASP 58 HB1 ASP 58 3.416 6.480 -10.022 450 H ASP 59 HN ASP 59 6.201 8.962 -8.613 451 HA ASP 59 HA ASP 59 5.178 9.871 -6.200 452 HB2 ASP 59 HB2 ASP 59 7.058 10.952 -7.364 453 HB3 ASP 59 HB1 ASP 59 5.977 11.500 -8.643 454 H ASP 60 HN ASP 60 3.750 10.183 -9.440 455 HA ASP 60 HA ASP 60 1.719 12.077 -8.715 456 HB2 ASP 60 HB2 ASP 60 1.867 10.261 -11.160 457 HB3 ASP 60 HB1 ASP 60 0.770 11.627 -10.977 458 H GLU 61 HN GLU 61 1.945 8.683 -8.286 459 HA GLU 61 HA GLU 61 -0.990 8.418 -7.923 460 HB2 GLU 61 HB2 GLU 61 -0.763 6.046 -8.029 461 HB3 GLU 61 HB1 GLU 61 0.155 6.702 -9.381 462 HG2 GLU 61 HG2 GLU 61 2.245 6.394 -8.064 463 HG3 GLU 61 HG1 GLU 61 1.296 5.689 -6.759 464 H ILE 62 HN ILE 62 1.909 8.891 -6.168 465 HA ILE 62 HA ILE 62 0.921 7.785 -3.662 466 HB ILE 62 HB ILE 62 3.430 9.388 -4.314 467 HG12 ILE 62 HG12 ILE 62 3.022 6.485 -3.455 468 HG13 ILE 62 HG11 ILE 62 3.493 7.039 -5.054 469 HG21 ILE 62 HG21 ILE 62 4.198 9.031 -1.983 470 HG22 ILE 62 HG22 ILE 62 2.632 8.325 -1.580 471 HG23 ILE 62 HG23 ILE 62 2.741 10.024 -2.037 472 HD11 ILE 62 HD11 ILE 62 5.149 7.235 -2.534 473 HD12 ILE 62 HD12 ILE 62 5.628 7.849 -4.121 474 HD13 ILE 62 HD13 ILE 62 5.379 6.122 -3.883 475 H SER 63 HN SER 63 -0.637 8.813 -2.646 476 HA SER 63 HA SER 63 -0.276 11.589 -1.806 477 HB2 SER 63 HB2 SER 63 -2.675 12.072 -2.209 478 HB3 SER 63 HB1 SER 63 -1.876 11.653 -3.721 479 HG SER 63 HG SER 63 -2.748 9.513 -3.456 480 H ALA 64 HN ALA 64 -2.108 11.959 0.001 481 HA ALA 64 HA ALA 64 -1.891 10.019 2.058 482 HB1 ALA 64 HB1 ALA 64 -3.926 12.265 1.796 483 HB2 ALA 64 HB2 ALA 64 -2.326 12.407 2.522 484 HB3 ALA 64 HB3 ALA 64 -3.542 11.377 3.276 485 H GLN 65 HN GLN 65 -4.236 10.595 -0.481 486 HA GLN 65 HA GLN 65 -6.314 8.839 0.451 487 HB2 GLN 65 HB2 GLN 65 -5.860 9.882 -2.372 488 HB3 GLN 65 HB1 GLN 65 -7.362 9.231 -1.720 489 HG2 GLN 65 HG2 GLN 65 -6.004 11.810 -0.883 490 HG3 GLN 65 HG1 GLN 65 -7.455 11.669 -1.868 491 HE21 GLN 65 HE21 GLN 65 -6.142 11.492 1.354 492 HE22 GLN 65 HE22 GLN 65 -7.651 11.429 2.192 493 H THR 66 HN THR 66 -3.284 8.247 -1.002 494 HA THR 66 HA THR 66 -3.897 5.777 -2.346 495 HB THR 66 HB THR 66 -1.249 6.907 -1.341 496 HG1 THR 66 HG1 THR 66 -2.218 6.964 -3.999 497 HG21 THR 66 HG21 THR 66 -1.028 4.486 -1.840 498 HG22 THR 66 HG22 THR 66 -0.166 5.458 -3.037 499 HG23 THR 66 HG23 THR 66 -1.731 4.748 -3.439 500 H PHE 67 HN PHE 67 -2.791 6.764 0.890 501 HA PHE 67 HA PHE 67 -2.744 3.962 1.799 502 HB2 PHE 67 HB2 PHE 67 -1.583 6.510 2.959 503 HB3 PHE 67 HB1 PHE 67 -1.718 5.043 3.922 504 HD1 PHE 67 HD2 PHE 67 -0.262 6.353 0.718 505 HD2 PHE 67 HD1 PHE 67 -0.033 3.381 3.790 506 HE1 PHE 67 HE2 PHE 67 1.838 5.505 -0.244 507 HE2 PHE 67 HE1 PHE 67 2.058 2.539 2.811 508 HZ PHE 67 HZ PHE 67 2.991 3.590 0.795 509 H GLU 68 HN GLU 68 -5.188 5.831 1.342 510 HA GLU 68 HA GLU 68 -6.342 6.383 3.850 511 HB2 GLU 68 HB2 GLU 68 -8.452 6.731 2.724 512 HB3 GLU 68 HB1 GLU 68 -7.172 7.381 1.707 513 HG2 GLU 68 HG2 GLU 68 -7.326 5.513 0.195 514 HG3 GLU 68 HG1 GLU 68 -8.417 4.653 1.274 515 H THR 69 HN THR 69 -6.714 3.511 1.726 516 HA THR 69 HA THR 69 -7.384 1.873 4.087 517 HB THR 69 HB THR 69 -9.016 0.545 2.683 518 HG1 THR 69 HG1 THR 69 -8.637 2.706 0.876 519 HG21 THR 69 HG21 THR 69 -9.929 2.203 4.269 520 HG22 THR 69 HG22 THR 69 -10.920 2.107 2.814 521 HG23 THR 69 HG23 THR 69 -9.810 3.457 3.030 522 H LEU 70 HN LEU 70 -7.050 -0.440 3.701 523 HA LEU 70 HA LEU 70 -4.582 -1.112 2.560 524 HB2 LEU 70 HB2 LEU 70 -5.675 -2.425 4.348 525 HB3 LEU 70 HB1 LEU 70 -6.934 -2.926 3.229 526 HG LEU 70 HG LEU 70 -5.146 -4.085 1.849 527 HD11 LEU 70 HD11 LEU 70 -3.377 -3.469 4.223 528 HD12 LEU 70 HD12 LEU 70 -3.213 -2.818 2.589 529 HD13 LEU 70 HD13 LEU 70 -2.971 -4.539 2.876 530 HD21 LEU 70 HD21 LEU 70 -4.916 -6.051 3.329 531 HD22 LEU 70 HD22 LEU 70 -6.556 -5.404 3.345 532 HD23 LEU 70 HD23 LEU 70 -5.472 -5.080 4.699 533 H GLY 71 HN GLY 71 -7.828 -1.256 1.300 534 HA2 GLY 71 HA2 GLY 71 -7.425 -2.787 -1.036 535 HA3 GLY 71 HA1 GLY 71 -8.749 -1.673 -0.738 536 H SER 72 HN SER 72 -7.112 0.667 -0.350 537 HA SER 72 HA SER 72 -6.871 1.639 -2.975 538 HB2 SER 72 HB2 SER 72 -5.512 2.731 -0.470 539 HB3 SER 72 HB1 SER 72 -5.849 3.620 -1.962 540 HG SER 72 HG SER 72 -8.112 3.027 -1.523 541 H LEU 73 HN LEU 73 -4.278 0.736 -0.615 542 HA LEU 73 HA LEU 73 -2.086 1.039 -2.373 543 HB2 LEU 73 HB2 LEU 73 -2.382 -0.819 0.030 544 HB3 LEU 73 HB1 LEU 73 -0.891 -0.678 -0.878 545 HG LEU 73 HG LEU 73 -0.562 0.625 1.045 546 HD11 LEU 73 HD11 LEU 73 0.213 1.714 -0.997 547 HD12 LEU 73 HD12 LEU 73 -0.259 2.890 0.224 548 HD13 LEU 73 HD13 LEU 73 -1.327 2.570 -1.142 549 HD21 LEU 73 HD21 LEU 73 -3.222 1.989 0.577 550 HD22 LEU 73 HD22 LEU 73 -2.103 2.272 1.916 551 HD23 LEU 73 HD23 LEU 73 -2.912 0.716 1.762 552 H ALA 74 HN ALA 74 -4.131 -1.745 -1.635 553 HA ALA 74 HA ALA 74 -2.781 -3.766 -2.963 554 HB1 ALA 74 HB1 ALA 74 -4.876 -4.995 -2.921 555 HB2 ALA 74 HB2 ALA 74 -5.781 -3.508 -2.621 556 HB3 ALA 74 HB3 ALA 74 -4.663 -4.120 -1.402 557 H LEU 75 HN LEU 75 -5.262 -1.521 -4.214 558 HA LEU 75 HA LEU 75 -5.438 -2.637 -6.826 559 HB2 LEU 75 HB2 LEU 75 -6.486 -0.177 -5.493 560 HB3 LEU 75 HB1 LEU 75 -6.320 -0.063 -7.229 561 HG LEU 75 HG LEU 75 -8.594 -0.673 -6.706 562 HD11 LEU 75 HD11 LEU 75 -8.848 -2.703 -8.031 563 HD12 LEU 75 HD12 LEU 75 -7.133 -3.073 -7.842 564 HD13 LEU 75 HD13 LEU 75 -7.636 -1.635 -8.736 565 HD21 LEU 75 HD21 LEU 75 -7.498 -3.060 -5.194 566 HD22 LEU 75 HD22 LEU 75 -9.203 -2.738 -5.529 567 HD23 LEU 75 HD23 LEU 75 -8.287 -1.643 -4.498 568 H PHE 76 HN PHE 76 -3.631 0.203 -5.548 569 HA PHE 76 HA PHE 76 -2.476 1.055 -7.967 570 HB2 PHE 76 HB2 PHE 76 -1.538 1.319 -5.083 571 HB3 PHE 76 HB1 PHE 76 -0.577 1.966 -6.409 572 HD1 PHE 76 HD1 PHE 76 -1.743 3.644 -8.013 573 HD2 PHE 76 HD2 PHE 76 -3.286 2.666 -4.153 574 HE1 PHE 76 HE1 PHE 76 -3.074 5.709 -8.017 575 HE2 PHE 76 HE2 PHE 76 -4.617 4.733 -4.164 576 HZ PHE 76 HZ PHE 76 -4.515 6.258 -6.096 577 H VAL 77 HN VAL 77 -1.167 -1.197 -5.520 578 HA VAL 77 HA VAL 77 1.192 -1.811 -7.004 579 HB VAL 77 HB VAL 77 1.777 -3.432 -5.304 580 HG11 VAL 77 HG11 VAL 77 1.780 -1.989 -3.293 581 HG12 VAL 77 HG12 VAL 77 0.566 -0.949 -4.039 582 HG13 VAL 77 HG13 VAL 77 2.172 -1.080 -4.754 583 HG21 VAL 77 HG21 VAL 77 0.310 -4.017 -3.425 584 HG22 VAL 77 HG22 VAL 77 -0.408 -4.510 -4.957 585 HG23 VAL 77 HG23 VAL 77 -1.001 -3.069 -4.134 586 H GLU 78 HN GLU 78 -2.040 -3.266 -6.987 587 HA GLU 78 HA GLU 78 -1.540 -5.656 -8.392 588 HB2 GLU 78 HB2 GLU 78 -3.828 -3.661 -8.766 589 HB3 GLU 78 HB1 GLU 78 -3.752 -5.181 -9.646 590 HG2 GLU 78 HG2 GLU 78 -3.987 -4.887 -6.651 591 HG3 GLU 78 HG1 GLU 78 -5.304 -5.245 -7.748 592 H HIS 79 HN HIS 79 -1.986 -2.339 -9.528 593 HA HIS 79 HA HIS 79 -1.667 -2.909 -12.317 594 HB2 HIS 79 HB2 HIS 79 -1.545 -0.233 -10.872 595 HB3 HIS 79 HB1 HIS 79 -1.803 -0.466 -12.599 596 HD1 HIS 79 HD1 HIS 79 -3.842 1.126 -11.099 597 HD2 HIS 79 HD2 HIS 79 -4.147 -2.997 -11.480 598 HE1 HIS 79 HE1 HIS 79 -6.256 0.590 -10.734 599 HE2 HIS 79 HE2 HIS 79 -6.446 -1.892 -11.082 600 H LYS 80 HN LYS 80 0.550 -1.917 -9.778 601 HA LYS 80 HA LYS 80 2.740 -1.121 -11.439 602 HB2 LYS 80 HB2 LYS 80 2.752 -2.102 -8.551 603 HB3 LYS 80 HB1 LYS 80 4.080 -1.263 -9.345 604 HG2 LYS 80 HG2 LYS 80 1.344 -0.090 -8.774 605 HG3 LYS 80 HG1 LYS 80 2.801 0.213 -7.836 606 HD2 LYS 80 HD2 LYS 80 2.506 0.883 -10.776 607 HD3 LYS 80 HD1 LYS 80 2.186 2.021 -9.471 608 HE2 LYS 80 HE2 LYS 80 4.553 1.682 -8.689 609 HE3 LYS 80 HE1 LYS 80 4.836 0.717 -10.139 610 HZ1 LYS 80 HZ1 LYS 80 5.523 3.079 -10.311 611 HZ2 LYS 80 HZ2 LYS 80 3.890 3.529 -10.201 612 HZ3 LYS 80 HZ3 LYS 80 4.429 2.590 -11.502 613 H LEU 81 HN LEU 81 2.180 -4.018 -9.467 614 HA LEU 81 HA LEU 81 4.468 -5.429 -10.392 615 HB2 LEU 81 HB2 LEU 81 2.104 -6.261 -8.696 616 HB3 LEU 81 HB1 LEU 81 3.311 -7.427 -9.190 617 HG LEU 81 HG LEU 81 3.761 -6.705 -6.905 618 HD11 LEU 81 HD11 LEU 81 5.857 -5.574 -8.774 619 HD12 LEU 81 HD12 LEU 81 5.715 -7.250 -8.236 620 HD13 LEU 81 HD13 LEU 81 6.100 -5.984 -7.070 621 HD21 LEU 81 HD21 LEU 81 4.365 -4.412 -6.288 622 HD22 LEU 81 HD22 LEU 81 2.718 -4.505 -6.900 623 HD23 LEU 81 HD23 LEU 81 3.997 -3.864 -7.929 624 H SER 82 HN SER 82 1.355 -5.001 -11.809 625 HA SER 82 HA SER 82 1.102 -7.179 -13.534 626 HB2 SER 82 HB2 SER 82 0.653 -4.232 -14.171 627 HB3 SER 82 HB1 SER 82 0.041 -5.581 -15.127 628 HG SER 82 HG SER 82 -0.640 -5.899 -12.561 629 H HIS 83 HN HIS 83 3.238 -4.369 -13.756 630 HA HIS 83 HA HIS 83 4.430 -5.095 -16.282 631 HB2 HIS 83 HB2 HIS 83 5.284 -3.032 -14.195 632 HB3 HIS 83 HB1 HIS 83 6.013 -3.205 -15.787 633 HD1 HIS 83 HD1 HIS 83 5.105 -1.635 -17.481 634 HD2 HIS 83 HD2 HIS 83 2.346 -2.363 -14.457 635 HE1 HIS 83 HE1 HIS 83 3.166 -0.117 -17.956 636 HE2 HIS 83 HE2 HIS 83 1.440 -0.716 -16.234 637 H282 PNS 84 H282 PNS 84 9.124 15.042 6.932 638 H281 PNS 84 H281 PNS 84 8.693 13.534 7.725 639 H303 PNS 84 H303 PNS 84 5.635 13.553 6.675 640 H302 PNS 84 H302 PNS 84 5.972 12.593 5.236 641 H301 PNS 84 H301 PNS 84 6.697 12.146 6.779 642 H313 PNS 84 H313 PNS 84 9.043 12.248 5.706 643 H312 PNS 84 H312 PNS 84 8.214 12.609 4.192 644 H311 PNS 84 H311 PNS 84 9.500 13.676 4.760 645 H32 PNS 84 H32 PNS 84 6.685 15.873 5.620 646 H33 PNS 84 H33 PNS 84 8.207 15.666 3.394 647 H36 PNS 84 H36 PNS 84 7.523 13.644 2.919 648 H372 PNS 84 H372 PNS 84 5.246 14.200 1.329 649 H371 PNS 84 H371 PNS 84 6.353 12.829 1.137 650 H382 PNS 84 H382 PNS 84 5.132 11.833 3.212 651 H381 PNS 84 H381 PNS 84 3.880 13.019 2.867 652 H41 PNS 84 H41 PNS 84 2.950 10.685 2.964 653 H422 PNS 84 H422 PNS 84 1.777 10.055 0.504 654 H421 PNS 84 H421 PNS 84 3.121 8.930 0.756 655 H431 PNS 84 H431 PNS 84 2.161 8.206 2.867 656 H432 PNS 84 H432 PNS 84 0.978 8.024 1.562 657 H44 PNS 84 H44 PNS 84 0.193 10.874 2.430
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