NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636713 | 6hka | 27167 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 68 H THR 68 7.719 -5.596 -10.577 2 HA THR 68 HA THR 68 5.397 -5.026 -8.909 3 HB THR 68 HB THR 68 5.553 -7.078 -11.126 4 HG1 THR 68 1HG THR 68 4.854 -5.256 -12.426 5 HG21 THR 68 1HG2 THR 68 3.522 -6.784 -9.520 6 HG22 THR 68 2HG2 THR 68 3.219 -6.824 -11.258 7 HG23 THR 68 3HG2 THR 68 3.245 -5.283 -10.404 8 H VAL 69 H VAL 69 5.069 -6.060 -7.053 9 HA VAL 69 HA VAL 69 4.672 -8.822 -6.758 10 HB VAL 69 HB VAL 69 7.016 -9.273 -7.074 11 HG11 VAL 69 1HG1 VAL 69 8.793 -8.068 -6.065 12 HG12 VAL 69 2HG1 VAL 69 7.719 -7.281 -4.912 13 HG13 VAL 69 3HG1 VAL 69 7.675 -6.821 -6.613 14 HG21 VAL 69 1HG2 VAL 69 6.739 -9.125 -4.073 15 HG22 VAL 69 2HG2 VAL 69 7.549 -10.358 -5.041 16 HG23 VAL 69 3HG2 VAL 69 5.787 -10.259 -5.030 17 H LEU 70 H LEU 70 3.143 -8.574 -5.203 18 HA LEU 70 HA LEU 70 2.054 -7.743 -3.278 19 HB2 LEU 70 2HB LEU 70 4.881 -7.795 -2.194 20 HB3 LEU 70 3HB LEU 70 3.395 -7.873 -1.251 21 HG LEU 70 HG LEU 70 4.214 -9.927 -3.328 22 HD11 LEU 70 1HD1 LEU 70 4.520 -9.855 -0.320 23 HD12 LEU 70 2HD1 LEU 70 5.770 -10.134 -1.532 24 HD13 LEU 70 3HD1 LEU 70 4.541 -11.363 -1.233 25 HD21 LEU 70 1HD2 LEU 70 2.424 -11.248 -1.957 26 HD22 LEU 70 2HD2 LEU 70 1.865 -10.051 -3.120 27 HD23 LEU 70 3HD2 LEU 70 1.899 -9.658 -1.402 28 H SER 71 H SER 71 3.761 -5.813 -5.136 29 HA SER 71 HA SER 71 4.216 -3.557 -3.362 30 HB2 SER 71 2HB SER 71 5.715 -3.805 -5.250 31 HB3 SER 71 3HB SER 71 4.358 -3.853 -6.372 32 HG SER 71 HG SER 71 5.548 -1.769 -6.009 33 H VAL 72 H VAL 72 2.645 -2.326 -2.694 34 HA VAL 72 HA VAL 72 0.067 -2.246 -4.147 35 HB VAL 72 HB VAL 72 -0.745 -1.168 -2.105 36 HG11 VAL 72 1HG1 VAL 72 -0.761 -3.561 -2.031 37 HG12 VAL 72 2HG1 VAL 72 -0.114 -3.029 -0.480 38 HG13 VAL 72 3HG1 VAL 72 0.977 -3.629 -1.732 39 HG21 VAL 72 1HG2 VAL 72 1.148 0.188 -1.486 40 HG22 VAL 72 2HG2 VAL 72 2.185 -1.232 -1.342 41 HG23 VAL 72 3HG2 VAL 72 0.891 -0.962 -0.174 42 H GLY 73 H GLY 73 2.925 -0.379 -3.687 43 HA2 GLY 73 2HA GLY 73 2.034 2.269 -3.912 44 HA3 GLY 73 3HA GLY 73 3.541 1.687 -4.617 45 H GLY 74 H GLY 74 1.490 -0.277 -6.073 46 HA2 GLY 74 2HA GLY 74 1.491 1.225 -8.551 47 HA3 GLY 74 3HA GLY 74 0.736 -0.350 -8.302 48 H GLN 75 H GLN 75 -1.129 0.136 -6.357 49 HA GLN 75 HA GLN 75 -3.111 1.676 -7.832 50 HB2 GLN 75 2HB GLN 75 -3.173 0.092 -5.260 51 HB3 GLN 75 3HB GLN 75 -4.557 1.047 -5.794 52 HG2 GLN 75 2HG GLN 75 -4.797 -1.260 -6.578 53 HG3 GLN 75 3HG GLN 75 -4.547 -0.183 -7.954 54 HE21 GLN 75 1HE2 GLN 75 -3.239 -1.283 -9.426 55 HE22 GLN 75 2HE2 GLN 75 -1.836 -2.147 -9.020 56 H VAL 76 H VAL 76 -1.306 2.017 -4.799 57 HA VAL 76 HA VAL 76 -2.642 4.373 -3.881 58 HB VAL 76 HB VAL 76 0.283 3.725 -3.450 59 HG11 VAL 76 1HG1 VAL 76 -0.485 5.920 -2.645 60 HG12 VAL 76 2HG1 VAL 76 -0.129 4.852 -1.287 61 HG13 VAL 76 3HG1 VAL 76 -1.801 5.143 -1.766 62 HG21 VAL 76 1HG2 VAL 76 -1.137 1.722 -3.018 63 HG22 VAL 76 2HG2 VAL 76 -2.128 2.688 -1.923 64 HG23 VAL 76 3HG2 VAL 76 -0.438 2.368 -1.534 65 H ASN 77 H ASN 77 0.445 4.027 -5.677 66 HA ASN 77 HA ASN 77 0.882 6.775 -6.144 67 HB2 ASN 77 2HB ASN 77 2.523 4.979 -6.711 68 HB3 ASN 77 3HB ASN 77 1.486 4.493 -8.053 69 HD21 ASN 77 1HD2 ASN 77 2.211 7.839 -6.971 70 HD22 ASN 77 2HD2 ASN 77 2.943 8.315 -8.427 71 H LEU 78 H LEU 78 -0.892 4.401 -8.136 72 HA LEU 78 HA LEU 78 -1.724 6.050 -10.229 73 HB2 LEU 78 2HB LEU 78 -2.254 3.617 -10.008 74 HB3 LEU 78 3HB LEU 78 -3.435 4.014 -8.765 75 HG LEU 78 HG LEU 78 -4.611 5.476 -10.455 76 HD11 LEU 78 1HD1 LEU 78 -4.026 4.721 -12.897 77 HD12 LEU 78 2HD1 LEU 78 -2.456 4.305 -12.212 78 HD13 LEU 78 3HD1 LEU 78 -3.043 5.965 -12.132 79 HD21 LEU 78 1HD2 LEU 78 -5.487 3.462 -11.772 80 HD22 LEU 78 2HD2 LEU 78 -5.550 3.325 -10.014 81 HD23 LEU 78 3HD2 LEU 78 -4.277 2.504 -10.917 82 H LEU 79 H LEU 79 -3.345 5.615 -7.079 83 HA LEU 79 HA LEU 79 -5.441 7.452 -7.456 84 HB2 LEU 79 2HB LEU 79 -4.918 5.803 -5.491 85 HB3 LEU 79 3HB LEU 79 -4.060 7.171 -4.793 86 HG LEU 79 HG LEU 79 -6.305 8.480 -5.348 87 HD11 LEU 79 1HD1 LEU 79 -7.216 5.589 -5.163 88 HD12 LEU 79 2HD1 LEU 79 -7.421 6.662 -6.546 89 HD13 LEU 79 3HD1 LEU 79 -8.286 6.985 -5.044 90 HD21 LEU 79 1HD2 LEU 79 -6.054 6.496 -3.062 91 HD22 LEU 79 2HD2 LEU 79 -7.168 7.861 -3.098 92 HD23 LEU 79 3HD2 LEU 79 -5.428 8.145 -3.080 93 H ILE 80 H ILE 80 -2.049 8.106 -6.602 94 HA ILE 80 HA ILE 80 -2.608 10.844 -5.856 95 HB ILE 80 HB ILE 80 -0.482 9.212 -5.398 96 HG12 ILE 80 2HG1 ILE 80 -0.928 11.213 -4.108 97 HG13 ILE 80 3HG1 ILE 80 0.747 11.272 -4.653 98 HG21 ILE 80 1HG2 ILE 80 0.626 11.164 -7.429 99 HG22 ILE 80 2HG2 ILE 80 0.245 9.499 -7.838 100 HG23 ILE 80 3HG2 ILE 80 1.465 9.842 -6.622 101 HD11 ILE 80 1HD1 ILE 80 -1.596 12.914 -5.549 102 HD12 ILE 80 2HD1 ILE 80 -0.314 12.582 -6.713 103 HD13 ILE 80 3HD1 ILE 80 0.057 13.418 -5.207 104 H GLN 81 H GLN 81 -1.546 9.262 -8.831 105 HA GLN 81 HA GLN 81 -0.990 11.648 -10.295 106 HB2 GLN 81 2HB GLN 81 -1.771 8.850 -11.128 107 HB3 GLN 81 3HB GLN 81 -1.431 10.114 -12.310 108 HG2 GLN 81 2HG GLN 81 0.837 10.103 -11.882 109 HG3 GLN 81 3HG GLN 81 0.619 9.810 -10.158 110 HE21 GLN 81 1HE2 GLN 81 0.018 7.512 -9.534 111 HE22 GLN 81 2HE2 GLN 81 0.586 6.240 -10.506 112 H GLN 82 H GLN 82 -3.956 9.600 -10.323 113 HA GLN 82 HA GLN 82 -5.472 11.298 -12.027 114 HB2 GLN 82 2HB GLN 82 -6.166 9.280 -9.905 115 HB3 GLN 82 3HB GLN 82 -7.450 10.351 -10.455 116 HG2 GLN 82 2HG GLN 82 -7.483 8.329 -11.790 117 HG3 GLN 82 3HG GLN 82 -6.962 9.676 -12.799 118 HE21 GLN 82 1HE2 GLN 82 -4.608 8.623 -10.496 119 HE22 GLN 82 2HE2 GLN 82 -3.635 7.743 -11.578 120 H ALA 83 H ALA 83 -4.998 11.290 -8.542 121 HA ALA 83 HA ALA 83 -6.733 13.464 -7.954 122 HB1 ALA 83 1HB ALA 83 -5.097 13.602 -5.894 123 HB2 ALA 83 2HB ALA 83 -4.417 12.128 -6.593 124 HB3 ALA 83 3HB ALA 83 -6.109 12.170 -6.107 125 H ILE 84 H ILE 84 -3.586 13.347 -9.404 126 HA ILE 84 HA ILE 84 -2.962 16.154 -8.757 127 HB ILE 84 HB ILE 84 -1.569 13.922 -10.233 128 HG12 ILE 84 2HG1 ILE 84 -1.505 14.351 -7.657 129 HG13 ILE 84 3HG1 ILE 84 0.002 14.016 -8.502 130 HG21 ILE 84 1HG2 ILE 84 0.317 15.623 -10.577 131 HG22 ILE 84 2HG2 ILE 84 -0.914 16.862 -10.327 132 HG23 ILE 84 3HG2 ILE 84 -1.065 15.726 -11.667 133 HD11 ILE 84 1HD1 ILE 84 0.779 16.178 -8.264 134 HD12 ILE 84 2HD1 ILE 84 -0.218 16.074 -6.815 135 HD13 ILE 84 3HD1 ILE 84 -0.837 16.884 -8.253 136 H ASP 85 H ASP 85 -4.856 14.528 -11.009 137 HA ASP 85 HA ASP 85 -4.794 16.892 -12.849 138 HB2 ASP 85 2HB ASP 85 -3.527 15.040 -13.896 139 HB3 ASP 85 3HB ASP 85 -4.928 13.985 -13.703 140 HA PRO 86 HA PRO 86 -9.094 15.467 -11.544 141 HB2 PRO 86 2HB PRO 86 -9.775 17.529 -9.915 142 HB3 PRO 86 3HB PRO 86 -8.839 16.140 -9.322 143 HG2 PRO 86 2HG PRO 86 -7.868 18.842 -10.169 144 HG3 PRO 86 3HG PRO 86 -7.419 17.887 -8.744 145 HD2 PRO 86 2HD PRO 86 -5.878 17.963 -11.008 146 HD3 PRO 86 3HD PRO 86 -5.950 16.541 -9.942 147 H LYS 87 H LYS 87 -7.685 17.579 -13.505 148 HA LYS 87 HA LYS 87 -9.515 19.692 -13.948 149 HB2 LYS 87 2HB LYS 87 -7.891 18.228 -16.048 150 HB3 LYS 87 3HB LYS 87 -8.529 19.864 -16.175 151 HG2 LYS 87 2HG LYS 87 -6.698 19.162 -13.882 152 HG3 LYS 87 3HG LYS 87 -6.009 19.485 -15.469 153 HD2 LYS 87 2HD LYS 87 -8.013 21.431 -14.341 154 HD3 LYS 87 3HD LYS 87 -6.361 21.464 -13.735 155 HE2 LYS 87 2HE LYS 87 -7.035 21.576 -16.686 156 HE3 LYS 87 3HE LYS 87 -6.806 23.013 -15.689 157 HZ1 LYS 87 1HZ LYS 87 -4.706 22.675 -16.495 158 HZ2 LYS 87 2HZ LYS 87 -4.847 20.981 -16.502 159 HZ3 LYS 87 3HZ LYS 87 -4.616 21.811 -15.038 160 H ASN 88 H ASN 88 -9.590 16.326 -14.934 161 HA ASN 88 HA ASN 88 -11.777 16.669 -16.818 162 HB2 ASN 88 2HB ASN 88 -11.889 14.021 -16.252 163 HB3 ASN 88 3HB ASN 88 -10.664 14.702 -17.322 164 HD21 ASN 88 1HD2 ASN 88 -11.198 13.772 -13.888 165 HD22 ASN 88 2HD2 ASN 88 -9.558 13.496 -13.554 166 H LEU 89 H LEU 89 -11.730 14.859 -13.728 167 HA LEU 89 HA LEU 89 -14.507 14.714 -13.380 168 HB2 LEU 89 2HB LEU 89 -12.602 13.656 -11.973 169 HB3 LEU 89 3HB LEU 89 -12.614 15.166 -11.067 170 HG LEU 89 HG LEU 89 -15.223 14.723 -10.919 171 HD11 LEU 89 1HD1 LEU 89 -15.690 12.267 -10.751 172 HD12 LEU 89 2HD1 LEU 89 -14.091 11.949 -11.420 173 HD13 LEU 89 3HD1 LEU 89 -15.305 12.777 -12.393 174 HD21 LEU 89 1HD2 LEU 89 -13.854 14.798 -8.942 175 HD22 LEU 89 2HD2 LEU 89 -13.098 13.253 -9.334 176 HD23 LEU 89 3HD2 LEU 89 -14.794 13.308 -8.854 177 H SER 90 H SER 90 -12.268 17.303 -12.425 178 HA SER 90 HA SER 90 -14.131 18.933 -11.043 179 HB2 SER 90 2HB SER 90 -11.768 19.475 -10.981 180 HB3 SER 90 3HB SER 90 -11.734 19.705 -12.727 181 HG SER 90 HG SER 90 -12.794 21.322 -10.710 182 H ARG 91 H ARG 91 -13.271 18.868 -14.511 183 HA ARG 91 HA ARG 91 -14.927 20.974 -15.377 184 HB2 ARG 91 2HB ARG 91 -13.300 19.645 -16.801 185 HB3 ARG 91 3HB ARG 91 -14.520 18.376 -16.885 186 HG2 ARG 91 2HG ARG 91 -14.975 19.601 -18.828 187 HG3 ARG 91 3HG ARG 91 -16.110 20.312 -17.685 188 HD2 ARG 91 2HD ARG 91 -15.181 22.287 -18.413 189 HD3 ARG 91 3HD ARG 91 -13.910 21.897 -17.255 190 HE ARG 91 HE ARG 91 -13.109 20.599 -19.564 191 HH11 ARG 91 1HH1 ARG 91 -11.822 21.590 -21.140 192 HH12 ARG 91 2HH1 ARG 91 -11.825 23.316 -21.281 193 HH21 ARG 91 1HH2 ARG 91 -14.088 23.791 -18.699 194 HH22 ARG 91 2HH2 ARG 91 -13.106 24.561 -19.899 195 H LEU 92 H LEU 92 -15.735 17.670 -14.473 196 HA LEU 92 HA LEU 92 -18.512 17.917 -15.402 197 HB2 LEU 92 2HB LEU 92 -17.415 15.829 -13.512 198 HB3 LEU 92 3HB LEU 92 -18.802 15.693 -14.593 199 HG LEU 92 HG LEU 92 -15.887 15.880 -15.388 200 HD11 LEU 92 1HD1 LEU 92 -16.267 13.657 -16.320 201 HD12 LEU 92 2HD1 LEU 92 -17.969 13.729 -15.864 202 HD13 LEU 92 3HD1 LEU 92 -16.724 13.661 -14.616 203 HD21 LEU 92 1HD2 LEU 92 -17.043 17.143 -17.039 204 HD22 LEU 92 2HD2 LEU 92 -18.431 16.055 -17.012 205 HD23 LEU 92 3HD2 LEU 92 -16.909 15.528 -17.730 206 H PHE 93 H PHE 93 -17.052 19.511 -13.046 207 HA PHE 93 HA PHE 93 -19.481 19.521 -11.321 208 HB2 PHE 93 2HB PHE 93 -16.630 19.040 -10.448 209 HB3 PHE 93 3HB PHE 93 -17.791 19.764 -9.338 210 HD1 PHE 93 1HD PHE 93 -20.180 18.512 -9.328 211 HD2 PHE 93 2HD PHE 93 -16.429 16.707 -10.394 212 HE1 PHE 93 1HE PHE 93 -21.115 16.270 -8.828 213 HE2 PHE 93 2HE PHE 93 -17.365 14.467 -9.893 214 HZ PHE 93 HZ PHE 93 -19.707 14.248 -9.109 215 HA PRO 94 HA PRO 94 -19.405 23.957 -11.472 216 HB2 PRO 94 2HB PRO 94 -18.983 23.807 -8.497 217 HB3 PRO 94 3HB PRO 94 -20.089 24.846 -9.420 218 HG2 PRO 94 2HG PRO 94 -20.967 22.650 -8.192 219 HG3 PRO 94 3HG PRO 94 -21.613 23.149 -9.765 220 HD2 PRO 94 2HD PRO 94 -19.839 20.850 -9.125 221 HD3 PRO 94 3HD PRO 94 -20.920 21.091 -10.516 222 H GLY 95 H GLY 95 -16.802 22.179 -10.091 223 HA2 GLY 95 2HA GLY 95 -14.956 24.049 -9.248 224 HA3 GLY 95 3HA GLY 95 -14.496 22.622 -10.173 225 H TRP 96 H TRP 96 -15.960 23.482 -12.615 226 HA TRP 96 HA TRP 96 -13.852 25.267 -13.617 227 HB2 TRP 96 2HB TRP 96 -14.817 24.869 -15.825 228 HB3 TRP 96 3HB TRP 96 -14.595 23.345 -14.971 229 HD1 TRP 96 HD TRP 96 -16.721 21.984 -14.295 230 HE1 TRP 96 1HE TRP 96 -19.214 22.187 -14.920 231 HE3 TRP 96 3HE TRP 96 -16.731 26.645 -16.378 232 HZ2 TRP 96 2HZ TRP 96 -20.974 24.070 -16.138 233 HZ3 TRP 96 3HZ TRP 96 -18.830 27.619 -17.264 234 HH2 TRP 96 HH TRP 96 -20.951 26.339 -17.147 235 H LYS 97 H LYS 97 -17.333 25.517 -12.956 236 HA LYS 97 HA LYS 97 -17.929 27.899 -14.293 237 HB2 LYS 97 2HB LYS 97 -18.801 26.933 -11.567 238 HB3 LYS 97 3HB LYS 97 -19.490 28.363 -12.337 239 HG2 LYS 97 2HG LYS 97 -20.323 27.102 -14.182 240 HG3 LYS 97 3HG LYS 97 -19.363 25.695 -13.738 241 HD2 LYS 97 2HD LYS 97 -20.792 25.824 -11.491 242 HD3 LYS 97 3HD LYS 97 -21.912 26.721 -12.510 243 HE2 LYS 97 2HE LYS 97 -20.801 24.018 -13.304 244 HE3 LYS 97 3HE LYS 97 -22.299 24.206 -12.394 245 HZ1 LYS 97 1HZ LYS 97 -23.221 25.510 -14.157 246 HZ2 LYS 97 2HZ LYS 97 -22.636 24.057 -14.815 247 HZ3 LYS 97 3HZ LYS 97 -21.755 25.497 -15.011 248 H ALA 98 H ALA 98 -15.484 27.490 -11.968 249 HA ALA 98 HA ALA 98 -15.472 30.407 -11.325 250 HB1 ALA 98 1HB ALA 98 -14.051 28.143 -9.909 251 HB2 ALA 98 2HB ALA 98 -15.596 28.813 -9.386 252 HB3 ALA 98 3HB ALA 98 -14.148 29.822 -9.375 253 H TRP 99 H TRP 99 -13.887 27.801 -12.892 254 HA TRP 99 HA TRP 99 -11.280 29.083 -12.988 255 HB2 TRP 99 2HB TRP 99 -12.300 26.730 -14.589 256 HB3 TRP 99 3HB TRP 99 -10.616 27.197 -14.372 257 HD1 TRP 99 HD TRP 99 -12.055 27.786 -11.107 258 HE1 TRP 99 1HE TRP 99 -11.752 25.779 -9.544 259 HE3 TRP 99 3HE TRP 99 -10.764 24.197 -14.507 260 HZ2 TRP 99 2HZ TRP 99 -11.033 23.023 -9.687 261 HZ3 TRP 99 3HZ TRP 99 -10.269 21.889 -13.760 262 HH2 TRP 99 HH TRP 99 -10.399 21.294 -11.355 263 H VAL 100 H VAL 100 -14.156 29.619 -14.591 264 HA VAL 100 HA VAL 100 -13.485 29.905 -17.298 265 HB VAL 100 HB VAL 100 -15.232 31.689 -17.331 266 HG11 VAL 100 1HG1 VAL 100 -15.950 29.384 -17.481 267 HG12 VAL 100 2HG1 VAL 100 -17.063 30.232 -16.407 268 HG13 VAL 100 3HG1 VAL 100 -15.814 29.185 -15.734 269 HG21 VAL 100 1HG2 VAL 100 -16.370 32.246 -15.213 270 HG22 VAL 100 2HG2 VAL 100 -14.672 32.718 -15.155 271 HG23 VAL 100 3HG2 VAL 100 -15.210 31.255 -14.330 Start of MODEL 2 1 H THR 68 H THR 68 -6.544 -4.964 -7.882 2 HA THR 68 HA THR 68 -4.074 -6.342 -8.743 3 HB THR 68 HB THR 68 -4.232 -3.346 -8.296 4 HG1 THR 68 1HG THR 68 -3.885 -5.031 -10.506 5 HG21 THR 68 1HG2 THR 68 -2.198 -4.091 -7.292 6 HG22 THR 68 2HG2 THR 68 -1.751 -3.516 -8.897 7 HG23 THR 68 3HG2 THR 68 -1.899 -5.247 -8.589 8 H VAL 69 H VAL 69 -2.453 -6.326 -6.947 9 HA VAL 69 HA VAL 69 -3.129 -5.310 -4.352 10 HB VAL 69 HB VAL 69 -4.820 -6.920 -4.123 11 HG11 VAL 69 1HG1 VAL 69 -4.620 -8.130 -6.150 12 HG12 VAL 69 2HG1 VAL 69 -4.390 -9.339 -4.889 13 HG13 VAL 69 3HG1 VAL 69 -2.996 -8.691 -5.753 14 HG21 VAL 69 1HG2 VAL 69 -2.956 -7.128 -2.363 15 HG22 VAL 69 2HG2 VAL 69 -2.446 -8.574 -3.236 16 HG23 VAL 69 3HG2 VAL 69 -4.054 -8.502 -2.510 17 H LEU 70 H LEU 70 -1.446 -7.849 -6.150 18 HA LEU 70 HA LEU 70 0.604 -8.556 -4.425 19 HB2 LEU 70 2HB LEU 70 1.151 -7.893 -7.325 20 HB3 LEU 70 3HB LEU 70 1.914 -9.134 -6.332 21 HG LEU 70 HG LEU 70 -0.944 -9.100 -7.341 22 HD11 LEU 70 1HD1 LEU 70 0.607 -9.884 -9.010 23 HD12 LEU 70 2HD1 LEU 70 -0.180 -11.305 -8.325 24 HD13 LEU 70 3HD1 LEU 70 1.458 -10.880 -7.829 25 HD21 LEU 70 1HD2 LEU 70 -1.102 -9.988 -5.136 26 HD22 LEU 70 2HD2 LEU 70 0.434 -10.841 -5.286 27 HD23 LEU 70 3HD2 LEU 70 -0.978 -11.403 -6.180 28 H SER 71 H SER 71 -0.021 -5.397 -5.542 29 HA SER 71 HA SER 71 2.360 -4.410 -4.186 30 HB2 SER 71 2HB SER 71 3.462 -4.554 -6.248 31 HB3 SER 71 3HB SER 71 1.992 -4.228 -7.161 32 HG SER 71 HG SER 71 3.313 -2.370 -5.465 33 H VAL 72 H VAL 72 1.763 -2.740 -3.047 34 HA VAL 72 HA VAL 72 -0.833 -1.491 -3.475 35 HB VAL 72 HB VAL 72 -0.239 -0.211 -1.454 36 HG11 VAL 72 1HG1 VAL 72 0.202 -2.240 0.040 37 HG12 VAL 72 2HG1 VAL 72 0.303 -3.181 -1.448 38 HG13 VAL 72 3HG1 VAL 72 -1.197 -2.354 -1.030 39 HG21 VAL 72 1HG2 VAL 72 2.082 0.226 -1.681 40 HG22 VAL 72 2HG2 VAL 72 2.458 -1.475 -1.958 41 HG23 VAL 72 3HG2 VAL 72 1.990 -0.924 -0.350 42 H GLY 73 H GLY 73 2.576 -0.422 -3.637 43 HA2 GLY 73 2HA GLY 73 2.211 2.275 -4.254 44 HA3 GLY 73 3HA GLY 73 3.519 1.305 -4.935 45 H GLY 74 H GLY 74 1.168 -0.436 -6.059 46 HA2 GLY 74 2HA GLY 74 1.189 0.804 -8.678 47 HA3 GLY 74 3HA GLY 74 0.281 -0.640 -8.231 48 H GLN 75 H GLN 75 -1.431 0.201 -6.295 49 HA GLN 75 HA GLN 75 -3.267 1.894 -7.810 50 HB2 GLN 75 2HB GLN 75 -3.504 0.493 -5.138 51 HB3 GLN 75 3HB GLN 75 -4.801 1.447 -5.859 52 HG2 GLN 75 2HG GLN 75 -5.176 -0.863 -6.457 53 HG3 GLN 75 3HG GLN 75 -4.630 -0.017 -7.906 54 HE21 GLN 75 1HE2 GLN 75 -2.516 -0.543 -8.751 55 HE22 GLN 75 2HE2 GLN 75 -1.598 -1.837 -8.149 56 H VAL 76 H VAL 76 -1.491 2.064 -4.741 57 HA VAL 76 HA VAL 76 -2.516 4.533 -3.814 58 HB VAL 76 HB VAL 76 0.338 3.540 -3.539 59 HG11 VAL 76 1HG1 VAL 76 -1.399 5.430 -1.931 60 HG12 VAL 76 2HG1 VAL 76 0.116 5.804 -2.752 61 HG13 VAL 76 3HG1 VAL 76 0.118 4.762 -1.329 62 HG21 VAL 76 1HG2 VAL 76 -2.063 2.967 -1.774 63 HG22 VAL 76 2HG2 VAL 76 -0.427 2.344 -1.560 64 HG23 VAL 76 3HG2 VAL 76 -1.397 1.823 -2.940 65 H ASN 77 H ASN 77 0.384 3.915 -5.811 66 HA ASN 77 HA ASN 77 0.979 6.661 -6.278 67 HB2 ASN 77 2HB ASN 77 2.509 4.706 -6.772 68 HB3 ASN 77 3HB ASN 77 1.508 4.367 -8.185 69 HD21 ASN 77 1HD2 ASN 77 2.569 7.542 -6.857 70 HD22 ASN 77 2HD2 ASN 77 3.358 8.038 -8.275 71 H LEU 78 H LEU 78 -0.755 4.293 -8.321 72 HA LEU 78 HA LEU 78 -1.539 6.004 -10.394 73 HB2 LEU 78 2HB LEU 78 -1.976 3.542 -10.299 74 HB3 LEU 78 3HB LEU 78 -3.230 3.842 -9.103 75 HG LEU 78 HG LEU 78 -4.390 5.322 -10.784 76 HD11 LEU 78 1HD1 LEU 78 -2.082 4.356 -12.470 77 HD12 LEU 78 2HD1 LEU 78 -2.775 5.973 -12.355 78 HD13 LEU 78 3HD1 LEU 78 -3.635 4.709 -13.229 79 HD21 LEU 78 1HD2 LEU 78 -5.389 3.478 -11.965 80 HD22 LEU 78 2HD2 LEU 78 -4.919 2.866 -10.378 81 HD23 LEU 78 3HD2 LEU 78 -3.931 2.501 -11.795 82 H LEU 79 H LEU 79 -2.821 5.748 -7.118 83 HA LEU 79 HA LEU 79 -5.137 7.388 -7.634 84 HB2 LEU 79 2HB LEU 79 -4.663 5.661 -5.707 85 HB3 LEU 79 3HB LEU 79 -3.915 7.038 -4.905 86 HG LEU 79 HG LEU 79 -6.177 8.267 -5.543 87 HD11 LEU 79 1HD1 LEU 79 -7.110 6.445 -6.900 88 HD12 LEU 79 2HD1 LEU 79 -8.103 6.687 -5.465 89 HD13 LEU 79 3HD1 LEU 79 -6.973 5.336 -5.537 90 HD21 LEU 79 1HD2 LEU 79 -5.521 7.941 -3.244 91 HD22 LEU 79 2HD2 LEU 79 -5.857 6.213 -3.336 92 HD23 LEU 79 3HD2 LEU 79 -7.184 7.372 -3.393 93 H ILE 80 H ILE 80 -1.816 8.046 -6.638 94 HA ILE 80 HA ILE 80 -2.449 10.791 -5.866 95 HB ILE 80 HB ILE 80 -0.508 9.127 -5.059 96 HG12 ILE 80 2HG1 ILE 80 -0.981 11.253 -3.983 97 HG13 ILE 80 3HG1 ILE 80 0.756 11.114 -4.240 98 HG21 ILE 80 1HG2 ILE 80 1.084 10.836 -6.962 99 HG22 ILE 80 2HG2 ILE 80 0.481 9.262 -7.454 100 HG23 ILE 80 3HG2 ILE 80 1.579 9.390 -6.087 101 HD11 ILE 80 1HD1 ILE 80 0.333 12.413 -6.446 102 HD12 ILE 80 2HD1 ILE 80 0.248 13.315 -4.933 103 HD13 ILE 80 3HD1 ILE 80 -1.235 12.814 -5.739 104 H GLN 81 H GLN 81 -1.631 9.137 -8.771 105 HA GLN 81 HA GLN 81 -0.675 11.587 -10.113 106 HB2 GLN 81 2HB GLN 81 -1.034 8.712 -10.971 107 HB3 GLN 81 3HB GLN 81 -0.634 9.980 -12.128 108 HG2 GLN 81 2HG GLN 81 1.505 10.285 -11.279 109 HG3 GLN 81 3HG GLN 81 1.040 9.836 -9.641 110 HE21 GLN 81 1HE2 GLN 81 0.306 7.362 -9.511 111 HE22 GLN 81 2HE2 GLN 81 1.313 6.274 -10.342 112 H GLN 82 H GLN 82 -3.554 9.496 -10.071 113 HA GLN 82 HA GLN 82 -4.821 11.066 -12.215 114 HB2 GLN 82 2HB GLN 82 -5.627 8.930 -12.475 115 HB3 GLN 82 3HB GLN 82 -5.276 8.504 -10.807 116 HG2 GLN 82 2HG GLN 82 -7.707 8.432 -11.346 117 HG3 GLN 82 3HG GLN 82 -7.327 9.564 -10.051 118 HE21 GLN 82 1HE2 GLN 82 -9.070 11.054 -10.452 119 HE22 GLN 82 2HE2 GLN 82 -9.192 11.959 -11.882 120 H ALA 83 H ALA 83 -5.031 10.690 -8.693 121 HA ALA 83 HA ALA 83 -7.386 12.165 -8.226 122 HB1 ALA 83 1HB ALA 83 -4.844 11.998 -6.586 123 HB2 ALA 83 2HB ALA 83 -6.301 11.023 -6.393 124 HB3 ALA 83 3HB ALA 83 -6.334 12.744 -6.009 125 H ILE 84 H ILE 84 -4.477 13.256 -9.639 126 HA ILE 84 HA ILE 84 -5.429 16.047 -9.433 127 HB ILE 84 HB ILE 84 -2.909 16.668 -9.083 128 HG12 ILE 84 2HG1 ILE 84 -1.800 14.927 -7.551 129 HG13 ILE 84 3HG1 ILE 84 -2.965 13.763 -8.161 130 HG21 ILE 84 1HG2 ILE 84 -4.615 15.467 -6.891 131 HG22 ILE 84 2HG2 ILE 84 -4.627 17.144 -7.439 132 HG23 ILE 84 3HG2 ILE 84 -3.209 16.496 -6.614 133 HD11 ILE 84 1HD1 ILE 84 -1.154 15.386 -9.958 134 HD12 ILE 84 2HD1 ILE 84 -2.134 13.986 -10.397 135 HD13 ILE 84 3HD1 ILE 84 -0.734 13.791 -9.350 136 H ASP 85 H ASP 85 -2.441 16.249 -10.654 137 HA ASP 85 HA ASP 85 -3.432 16.178 -13.421 138 HB2 ASP 85 2HB ASP 85 -0.785 17.068 -12.246 139 HB3 ASP 85 3HB ASP 85 -1.219 17.201 -13.951 140 HA PRO 86 HA PRO 86 -1.379 12.110 -13.603 141 HB2 PRO 86 2HB PRO 86 -2.481 11.183 -15.888 142 HB3 PRO 86 3HB PRO 86 -3.421 11.307 -14.385 143 HG2 PRO 86 2HG PRO 86 -3.389 13.135 -16.747 144 HG3 PRO 86 3HG PRO 86 -4.764 12.573 -15.778 145 HD2 PRO 86 2HD PRO 86 -3.538 15.045 -15.448 146 HD3 PRO 86 3HD PRO 86 -4.462 14.216 -14.174 147 H LYS 87 H LYS 87 -0.703 14.830 -15.295 148 HA LYS 87 HA LYS 87 0.604 14.093 -17.658 149 HB2 LYS 87 2HB LYS 87 1.523 16.124 -15.600 150 HB3 LYS 87 3HB LYS 87 2.066 16.055 -17.275 151 HG2 LYS 87 2HG LYS 87 -0.422 16.227 -17.918 152 HG3 LYS 87 3HG LYS 87 -0.707 16.671 -16.238 153 HD2 LYS 87 2HD LYS 87 -0.389 18.797 -17.090 154 HD3 LYS 87 3HD LYS 87 1.296 18.405 -16.760 155 HE2 LYS 87 2HE LYS 87 -0.163 18.432 -19.394 156 HE3 LYS 87 3HE LYS 87 1.384 19.168 -18.975 157 HZ1 LYS 87 1HZ LYS 87 0.862 16.252 -19.200 158 HZ2 LYS 87 2HZ LYS 87 2.354 16.968 -18.812 159 HZ3 LYS 87 3HZ LYS 87 1.670 17.201 -20.350 160 H ASN 88 H ASN 88 1.669 13.708 -14.316 161 HA ASN 88 HA ASN 88 4.375 12.963 -14.920 162 HB2 ASN 88 2HB ASN 88 4.032 11.687 -12.595 163 HB3 ASN 88 3HB ASN 88 4.141 13.444 -12.662 164 HD21 ASN 88 1HD2 ASN 88 1.226 11.990 -13.961 165 HD22 ASN 88 2HD2 ASN 88 0.215 12.408 -12.664 166 H LEU 89 H LEU 89 1.571 10.869 -14.093 167 HA LEU 89 HA LEU 89 2.745 8.388 -14.551 168 HB2 LEU 89 2HB LEU 89 0.457 8.573 -13.739 169 HB3 LEU 89 3HB LEU 89 -0.059 9.319 -15.250 170 HG LEU 89 HG LEU 89 0.381 7.262 -16.478 171 HD11 LEU 89 1HD1 LEU 89 2.283 6.308 -15.463 172 HD12 LEU 89 2HD1 LEU 89 0.992 5.199 -15.013 173 HD13 LEU 89 3HD1 LEU 89 1.579 6.388 -13.848 174 HD21 LEU 89 1HD2 LEU 89 -1.147 6.809 -13.898 175 HD22 LEU 89 2HD2 LEU 89 -1.232 5.747 -15.302 176 HD23 LEU 89 3HD2 LEU 89 -1.803 7.411 -15.420 177 H SER 90 H SER 90 1.702 10.782 -16.903 178 HA SER 90 HA SER 90 2.166 8.972 -19.165 179 HB2 SER 90 2HB SER 90 1.313 11.855 -18.931 180 HB3 SER 90 3HB SER 90 1.698 11.121 -20.485 181 HG SER 90 HG SER 90 -0.407 10.612 -18.714 182 H ARG 91 H ARG 91 3.954 11.286 -17.308 183 HA ARG 91 HA ARG 91 5.874 11.902 -19.417 184 HB2 ARG 91 2HB ARG 91 5.234 13.153 -17.087 185 HB3 ARG 91 3HB ARG 91 6.640 12.253 -16.536 186 HG2 ARG 91 2HG ARG 91 7.694 14.172 -17.310 187 HG3 ARG 91 3HG ARG 91 7.717 13.213 -18.789 188 HD2 ARG 91 2HD ARG 91 6.076 15.620 -18.110 189 HD3 ARG 91 3HD ARG 91 6.782 15.146 -19.653 190 HE ARG 91 HE ARG 91 4.773 13.264 -19.157 191 HH11 ARG 91 1HH1 ARG 91 2.668 13.547 -19.930 192 HH12 ARG 91 2HH1 ARG 91 2.109 15.142 -20.309 193 HH21 ARG 91 1HH2 ARG 91 5.089 16.684 -19.434 194 HH22 ARG 91 2HH2 ARG 91 3.478 16.918 -20.028 195 H LEU 92 H LEU 92 5.470 9.335 -17.109 196 HA LEU 92 HA LEU 92 8.067 8.435 -16.624 197 HB2 LEU 92 2HB LEU 92 5.853 6.561 -17.490 198 HB3 LEU 92 3HB LEU 92 7.171 6.233 -16.365 199 HG LEU 92 HG LEU 92 4.834 8.114 -15.935 200 HD11 LEU 92 1HD1 LEU 92 5.730 5.710 -14.326 201 HD12 LEU 92 2HD1 LEU 92 4.522 5.615 -15.607 202 HD13 LEU 92 3HD1 LEU 92 4.214 6.598 -14.175 203 HD21 LEU 92 1HD2 LEU 92 6.666 9.228 -14.925 204 HD22 LEU 92 2HD2 LEU 92 7.406 7.716 -14.399 205 HD23 LEU 92 3HD2 LEU 92 5.946 8.307 -13.604 206 H PHE 93 H PHE 93 6.509 8.795 -19.634 207 HA PHE 93 HA PHE 93 8.589 7.144 -21.030 208 HB2 PHE 93 2HB PHE 93 5.834 8.047 -21.911 209 HB3 PHE 93 3HB PHE 93 6.998 7.247 -22.968 210 HD1 PHE 93 1HD PHE 93 8.014 4.996 -22.062 211 HD2 PHE 93 2HD PHE 93 4.343 6.733 -20.661 212 HE1 PHE 93 1HE PHE 93 7.301 2.787 -21.189 213 HE2 PHE 93 2HE PHE 93 3.631 4.523 -19.789 214 HZ PHE 93 HZ PHE 93 5.111 2.551 -20.052 215 HA PRO 94 HA PRO 94 9.999 11.569 -21.448 216 HB2 PRO 94 2HB PRO 94 12.023 9.927 -22.957 217 HB3 PRO 94 3HB PRO 94 12.280 11.353 -21.928 218 HG2 PRO 94 2HG PRO 94 12.764 8.930 -20.986 219 HG3 PRO 94 3HG PRO 94 11.982 10.153 -19.965 220 HD2 PRO 94 2HD PRO 94 10.786 7.741 -21.258 221 HD3 PRO 94 3HD PRO 94 10.303 8.570 -19.760 222 H GLY 95 H GLY 95 9.226 9.131 -23.820 223 HA2 GLY 95 2HA GLY 95 9.594 10.626 -26.209 224 HA3 GLY 95 3HA GLY 95 8.406 9.336 -26.011 225 H TRP 96 H TRP 96 7.556 11.253 -23.587 226 HA TRP 96 HA TRP 96 5.376 12.480 -25.107 227 HB2 TRP 96 2HB TRP 96 6.103 12.197 -22.207 228 HB3 TRP 96 3HB TRP 96 4.961 13.462 -22.652 229 HD1 TRP 96 HD TRP 96 5.389 9.703 -23.557 230 HE1 TRP 96 1HE TRP 96 3.050 8.615 -23.492 231 HE3 TRP 96 3HE TRP 96 2.560 13.758 -22.300 232 HZ2 TRP 96 2HZ TRP 96 0.343 9.364 -22.986 233 HZ3 TRP 96 3HZ TRP 96 0.101 13.549 -22.039 234 HH2 TRP 96 HH TRP 96 -1.010 11.357 -22.377 235 H LYS 97 H LYS 97 8.529 13.407 -24.319 236 HA LYS 97 HA LYS 97 8.145 16.187 -23.775 237 HB2 LYS 97 2HB LYS 97 10.499 16.432 -24.237 238 HB3 LYS 97 3HB LYS 97 10.269 14.904 -23.395 239 HG2 LYS 97 2HG LYS 97 10.227 13.762 -25.652 240 HG3 LYS 97 3HG LYS 97 10.686 15.304 -26.371 241 HD2 LYS 97 2HD LYS 97 12.783 14.338 -26.085 242 HD3 LYS 97 3HD LYS 97 12.631 15.231 -24.574 243 HE2 LYS 97 2HE LYS 97 11.855 13.199 -23.429 244 HE3 LYS 97 3HE LYS 97 11.934 12.301 -24.944 245 HZ1 LYS 97 1HZ LYS 97 14.289 13.708 -23.850 246 HZ2 LYS 97 2HZ LYS 97 14.241 12.469 -25.011 247 HZ3 LYS 97 3HZ LYS 97 13.906 12.124 -23.381 248 H ALA 98 H ALA 98 7.838 14.367 -26.656 249 HA ALA 98 HA ALA 98 7.917 16.844 -28.319 250 HB1 ALA 98 1HB ALA 98 8.150 13.970 -29.232 251 HB2 ALA 98 2HB ALA 98 9.539 15.010 -28.911 252 HB3 ALA 98 3HB ALA 98 8.413 15.417 -30.206 253 H TRP 99 H TRP 99 6.003 14.215 -27.159 254 HA TRP 99 HA TRP 99 3.986 14.372 -29.199 255 HB2 TRP 99 2HB TRP 99 3.644 13.349 -26.377 256 HB3 TRP 99 3HB TRP 99 2.646 12.959 -27.770 257 HD1 TRP 99 HD TRP 99 5.905 12.930 -29.245 258 HE1 TRP 99 1HE TRP 99 6.963 10.592 -29.248 259 HE3 TRP 99 3HE TRP 99 2.894 10.580 -25.843 260 HZ2 TRP 99 2HZ TRP 99 6.592 8.059 -28.002 261 HZ3 TRP 99 3HZ TRP 99 3.272 8.194 -25.282 262 HH2 TRP 99 HH TRP 99 5.116 6.932 -26.353 263 H VAL 100 H VAL 100 4.891 16.575 -26.909 264 HA VAL 100 HA VAL 100 2.606 17.516 -25.643 265 HB VAL 100 HB VAL 100 3.633 19.782 -25.849 266 HG11 VAL 100 1HG1 VAL 100 5.892 19.083 -24.868 267 HG12 VAL 100 2HG1 VAL 100 5.385 17.420 -25.160 268 HG13 VAL 100 3HG1 VAL 100 4.460 18.442 -24.061 269 HG21 VAL 100 1HG2 VAL 100 5.789 19.961 -27.069 270 HG22 VAL 100 2HG2 VAL 100 4.452 19.584 -28.156 271 HG23 VAL 100 3HG2 VAL 100 5.573 18.315 -27.660 Start of MODEL 3 1 H THR 68 H THR 68 -0.201 -10.938 -3.973 2 HA THR 68 HA THR 68 -1.749 -8.489 -4.186 3 HB THR 68 HB THR 68 1.267 -8.703 -4.067 4 HG1 THR 68 1HG THR 68 -0.365 -9.798 -2.405 5 HG21 THR 68 1HG2 THR 68 0.964 -6.581 -2.761 6 HG22 THR 68 2HG2 THR 68 -0.756 -6.645 -3.147 7 HG23 THR 68 3HG2 THR 68 0.433 -6.461 -4.437 8 H VAL 69 H VAL 69 -1.318 -6.761 -5.725 9 HA VAL 69 HA VAL 69 -0.754 -7.784 -8.413 10 HB VAL 69 HB VAL 69 -1.356 -5.369 -9.041 11 HG11 VAL 69 1HG1 VAL 69 -3.316 -7.111 -7.516 12 HG12 VAL 69 2HG1 VAL 69 -2.977 -7.174 -9.246 13 HG13 VAL 69 3HG1 VAL 69 -3.784 -5.766 -8.555 14 HG21 VAL 69 1HG2 VAL 69 -2.288 -3.954 -7.377 15 HG22 VAL 69 2HG2 VAL 69 -0.823 -4.594 -6.633 16 HG23 VAL 69 3HG2 VAL 69 -2.396 -5.265 -6.201 17 H LEU 70 H LEU 70 1.573 -8.143 -7.558 18 HA LEU 70 HA LEU 70 3.829 -7.584 -7.746 19 HB2 LEU 70 2HB LEU 70 2.965 -5.050 -9.156 20 HB3 LEU 70 3HB LEU 70 4.491 -5.911 -9.310 21 HG LEU 70 HG LEU 70 1.802 -7.049 -10.132 22 HD11 LEU 70 1HD1 LEU 70 4.035 -5.788 -11.748 23 HD12 LEU 70 2HD1 LEU 70 2.376 -5.209 -11.602 24 HD13 LEU 70 3HD1 LEU 70 2.710 -6.718 -12.451 25 HD21 LEU 70 1HD2 LEU 70 4.663 -8.014 -10.322 26 HD22 LEU 70 2HD2 LEU 70 3.396 -8.649 -11.372 27 HD23 LEU 70 3HD2 LEU 70 3.275 -8.850 -9.625 28 H SER 71 H SER 71 1.649 -5.050 -6.615 29 HA SER 71 HA SER 71 2.842 -4.590 -4.165 30 HB2 SER 71 2HB SER 71 4.061 -2.309 -4.907 31 HB3 SER 71 3HB SER 71 4.924 -3.840 -4.874 32 HG SER 71 HG SER 71 5.062 -2.562 -6.868 33 H VAL 72 H VAL 72 1.128 -3.765 -3.238 34 HA VAL 72 HA VAL 72 -0.996 -2.399 -4.475 35 HB VAL 72 HB VAL 72 -1.637 -1.761 -2.199 36 HG11 VAL 72 1HG1 VAL 72 -1.565 -4.008 -1.167 37 HG12 VAL 72 2HG1 VAL 72 -0.328 -4.489 -2.329 38 HG13 VAL 72 3HG1 VAL 72 -1.958 -4.104 -2.884 39 HG21 VAL 72 1HG2 VAL 72 0.412 -0.968 -1.265 40 HG22 VAL 72 2HG2 VAL 72 1.239 -2.487 -1.615 41 HG23 VAL 72 3HG2 VAL 72 0.014 -2.420 -0.347 42 H GLY 73 H GLY 73 1.943 -1.135 -2.931 43 HA2 GLY 73 2HA GLY 73 1.460 1.584 -2.796 44 HA3 GLY 73 3HA GLY 73 3.023 0.932 -3.287 45 H GLY 74 H GLY 74 1.646 -0.361 -5.675 46 HA2 GLY 74 2HA GLY 74 2.107 1.825 -7.516 47 HA3 GLY 74 3HA GLY 74 1.481 0.229 -7.953 48 H GLN 75 H GLN 75 -0.828 0.137 -6.360 49 HA GLN 75 HA GLN 75 -2.650 1.696 -7.921 50 HB2 GLN 75 2HB GLN 75 -2.902 0.104 -5.368 51 HB3 GLN 75 3HB GLN 75 -4.252 1.093 -5.928 52 HG2 GLN 75 2HG GLN 75 -4.489 -1.189 -6.787 53 HG3 GLN 75 3HG GLN 75 -4.169 -0.080 -8.121 54 HE21 GLN 75 1HE2 GLN 75 -1.737 -1.280 -5.786 55 HE22 GLN 75 2HE2 GLN 75 -0.816 -2.123 -6.935 56 H VAL 76 H VAL 76 -0.899 2.228 -4.961 57 HA VAL 76 HA VAL 76 -2.385 4.561 -4.103 58 HB VAL 76 HB VAL 76 0.525 3.964 -3.509 59 HG11 VAL 76 1HG1 VAL 76 -1.642 5.257 -1.829 60 HG12 VAL 76 2HG1 VAL 76 -0.495 6.164 -2.816 61 HG13 VAL 76 3HG1 VAL 76 0.083 5.185 -1.467 62 HG21 VAL 76 1HG2 VAL 76 -0.281 2.629 -1.599 63 HG22 VAL 76 2HG2 VAL 76 -0.840 1.930 -3.119 64 HG23 VAL 76 3HG2 VAL 76 -1.947 2.874 -2.122 65 H ASN 77 H ASN 77 0.611 4.044 -5.987 66 HA ASN 77 HA ASN 77 1.184 6.797 -6.427 67 HB2 ASN 77 2HB ASN 77 2.773 4.954 -6.957 68 HB3 ASN 77 3HB ASN 77 1.718 4.450 -8.278 69 HD21 ASN 77 1HD2 ASN 77 2.711 7.758 -7.242 70 HD22 ASN 77 2HD2 ASN 77 3.375 8.188 -8.745 71 H LEU 78 H LEU 78 -0.438 4.452 -8.577 72 HA LEU 78 HA LEU 78 -1.330 6.190 -10.571 73 HB2 LEU 78 2HB LEU 78 -1.698 3.802 -10.752 74 HB3 LEU 78 3HB LEU 78 -2.711 3.800 -9.312 75 HG LEU 78 HG LEU 78 -4.414 5.130 -10.468 76 HD11 LEU 78 1HD1 LEU 78 -2.328 5.177 -12.655 77 HD12 LEU 78 2HD1 LEU 78 -3.193 6.536 -11.934 78 HD13 LEU 78 3HD1 LEU 78 -4.037 5.427 -13.013 79 HD21 LEU 78 1HD2 LEU 78 -3.541 2.889 -12.303 80 HD22 LEU 78 2HD2 LEU 78 -5.184 3.435 -11.972 81 HD23 LEU 78 3HD2 LEU 78 -4.265 2.597 -10.721 82 H LEU 79 H LEU 79 -2.493 5.838 -7.283 83 HA LEU 79 HA LEU 79 -4.953 7.266 -7.655 84 HB2 LEU 79 2HB LEU 79 -4.149 5.721 -5.685 85 HB3 LEU 79 3HB LEU 79 -3.464 7.208 -5.037 86 HG LEU 79 HG LEU 79 -5.871 8.196 -5.523 87 HD11 LEU 79 1HD1 LEU 79 -7.630 6.451 -5.161 88 HD12 LEU 79 2HD1 LEU 79 -6.389 5.211 -5.329 89 HD13 LEU 79 3HD1 LEU 79 -6.782 6.256 -6.692 90 HD21 LEU 79 1HD2 LEU 79 -5.142 6.331 -3.254 91 HD22 LEU 79 2HD2 LEU 79 -6.613 7.304 -3.249 92 HD23 LEU 79 3HD2 LEU 79 -5.035 8.091 -3.282 93 H ILE 80 H ILE 80 -1.675 8.286 -6.673 94 HA ILE 80 HA ILE 80 -2.480 10.974 -6.090 95 HB ILE 80 HB ILE 80 -0.245 9.635 -5.520 96 HG12 ILE 80 2HG1 ILE 80 -0.759 11.769 -4.512 97 HG13 ILE 80 3HG1 ILE 80 0.891 11.847 -5.123 98 HG21 ILE 80 1HG2 ILE 80 0.698 11.314 -7.848 99 HG22 ILE 80 2HG2 ILE 80 0.386 9.589 -7.982 100 HG23 ILE 80 3HG2 ILE 80 1.631 10.170 -6.885 101 HD11 ILE 80 1HD1 ILE 80 -0.198 12.832 -7.280 102 HD12 ILE 80 2HD1 ILE 80 -0.040 13.872 -5.867 103 HD13 ILE 80 3HD1 ILE 80 -1.593 13.130 -6.243 104 H GLN 81 H GLN 81 -1.301 9.400 -9.064 105 HA GLN 81 HA GLN 81 -1.148 11.857 -10.586 106 HB2 GLN 81 2HB GLN 81 -1.269 8.923 -11.283 107 HB3 GLN 81 3HB GLN 81 -1.488 10.114 -12.561 108 HG2 GLN 81 2HG GLN 81 0.833 9.634 -12.566 109 HG3 GLN 81 3HG GLN 81 0.709 11.176 -11.725 110 HE21 GLN 81 1HE2 GLN 81 -0.011 7.887 -10.467 111 HE22 GLN 81 2HE2 GLN 81 1.141 7.946 -9.221 112 H GLN 82 H GLN 82 -3.712 9.586 -9.816 113 HA GLN 82 HA GLN 82 -5.631 10.380 -11.740 114 HB2 GLN 82 2HB GLN 82 -5.495 8.592 -9.597 115 HB3 GLN 82 3HB GLN 82 -6.737 9.722 -9.072 116 HG2 GLN 82 2HG GLN 82 -7.743 9.389 -11.438 117 HG3 GLN 82 3HG GLN 82 -6.687 7.981 -11.532 118 HE21 GLN 82 1HE2 GLN 82 -8.445 9.251 -8.666 119 HE22 GLN 82 2HE2 GLN 82 -9.358 7.842 -8.409 120 H ALA 83 H ALA 83 -5.237 11.486 -8.369 121 HA ALA 83 HA ALA 83 -7.249 13.393 -8.239 122 HB1 ALA 83 1HB ALA 83 -5.608 12.765 -6.415 123 HB2 ALA 83 2HB ALA 83 -5.979 14.487 -6.520 124 HB3 ALA 83 3HB ALA 83 -4.459 13.871 -7.169 125 H ILE 84 H ILE 84 -3.926 14.010 -9.452 126 HA ILE 84 HA ILE 84 -4.143 16.688 -10.096 127 HB ILE 84 HB ILE 84 -2.902 14.732 -12.035 128 HG12 ILE 84 2HG1 ILE 84 -2.192 13.907 -9.893 129 HG13 ILE 84 3HG1 ILE 84 -0.866 14.874 -10.524 130 HG21 ILE 84 1HG2 ILE 84 -2.887 17.184 -12.505 131 HG22 ILE 84 2HG2 ILE 84 -1.270 16.509 -12.306 132 HG23 ILE 84 3HG2 ILE 84 -2.010 17.429 -10.996 133 HD11 ILE 84 1HD1 ILE 84 -1.090 15.580 -8.271 134 HD12 ILE 84 2HD1 ILE 84 -2.850 15.613 -8.372 135 HD13 ILE 84 3HD1 ILE 84 -1.895 16.835 -9.211 136 H ASP 85 H ASP 85 -5.271 13.958 -12.078 137 HA ASP 85 HA ASP 85 -7.216 15.768 -13.384 138 HB2 ASP 85 2HB ASP 85 -5.287 14.106 -15.020 139 HB3 ASP 85 3HB ASP 85 -6.479 15.257 -15.620 140 HA PRO 86 HA PRO 86 -8.958 11.567 -12.767 141 HB2 PRO 86 2HB PRO 86 -11.506 12.262 -12.199 142 HB3 PRO 86 3HB PRO 86 -10.200 12.451 -11.010 143 HG2 PRO 86 2HG PRO 86 -11.492 14.510 -12.741 144 HG3 PRO 86 3HG PRO 86 -10.964 14.628 -11.053 145 HD2 PRO 86 2HD PRO 86 -9.505 15.576 -13.236 146 HD3 PRO 86 3HD PRO 86 -8.803 15.197 -11.646 147 H LYS 87 H LYS 87 -9.399 13.831 -15.205 148 HA LYS 87 HA LYS 87 -11.674 12.939 -16.617 149 HB2 LYS 87 2HB LYS 87 -10.159 13.576 -18.695 150 HB3 LYS 87 3HB LYS 87 -10.691 14.827 -17.574 151 HG2 LYS 87 2HG LYS 87 -8.605 14.932 -16.490 152 HG3 LYS 87 3HG LYS 87 -8.089 13.368 -17.118 153 HD2 LYS 87 2HD LYS 87 -6.883 14.990 -18.381 154 HD3 LYS 87 3HD LYS 87 -8.162 14.425 -19.447 155 HE2 LYS 87 2HE LYS 87 -9.273 16.620 -18.005 156 HE3 LYS 87 3HE LYS 87 -7.664 17.125 -18.515 157 HZ1 LYS 87 1HZ LYS 87 -9.961 16.307 -20.150 158 HZ2 LYS 87 2HZ LYS 87 -8.392 16.052 -20.749 159 HZ3 LYS 87 3HZ LYS 87 -8.906 17.621 -20.350 160 H ASN 88 H ASN 88 -8.538 11.442 -16.188 161 HA ASN 88 HA ASN 88 -8.691 9.570 -18.353 162 HB2 ASN 88 2HB ASN 88 -7.039 8.255 -17.049 163 HB3 ASN 88 3HB ASN 88 -6.596 9.959 -17.130 164 HD21 ASN 88 1HD2 ASN 88 -8.062 7.504 -14.976 165 HD22 ASN 88 2HD2 ASN 88 -7.750 8.350 -13.539 166 H LEU 89 H LEU 89 -9.572 9.253 -14.900 167 HA LEU 89 HA LEU 89 -10.619 6.621 -15.057 168 HB2 LEU 89 2HB LEU 89 -10.200 7.956 -12.942 169 HB3 LEU 89 3HB LEU 89 -11.670 8.858 -13.300 170 HG LEU 89 HG LEU 89 -12.769 6.454 -13.463 171 HD11 LEU 89 1HD1 LEU 89 -11.715 4.879 -11.839 172 HD12 LEU 89 2HD1 LEU 89 -10.326 5.958 -11.731 173 HD13 LEU 89 3HD1 LEU 89 -10.705 5.160 -13.256 174 HD21 LEU 89 1HD2 LEU 89 -11.975 7.860 -10.900 175 HD22 LEU 89 2HD2 LEU 89 -13.120 6.518 -10.942 176 HD23 LEU 89 3HD2 LEU 89 -13.490 8.019 -11.791 177 H SER 90 H SER 90 -12.225 9.773 -15.508 178 HA SER 90 HA SER 90 -14.801 8.629 -16.097 179 HB2 SER 90 2HB SER 90 -15.499 10.823 -16.470 180 HB3 SER 90 3HB SER 90 -14.098 11.092 -15.437 181 HG SER 90 HG SER 90 -13.774 12.387 -17.163 182 H ARG 91 H ARG 91 -11.932 9.287 -17.976 183 HA ARG 91 HA ARG 91 -13.187 9.209 -20.575 184 HB2 ARG 91 2HB ARG 91 -10.973 10.194 -20.274 185 HB3 ARG 91 3HB ARG 91 -10.330 8.649 -19.726 186 HG2 ARG 91 2HG ARG 91 -11.678 8.530 -22.379 187 HG3 ARG 91 3HG ARG 91 -10.236 9.538 -22.347 188 HD2 ARG 91 2HD ARG 91 -10.339 6.673 -21.354 189 HD3 ARG 91 3HD ARG 91 -9.736 7.167 -22.936 190 HE ARG 91 HE ARG 91 -8.429 8.574 -20.744 191 HH11 ARG 91 1HH1 ARG 91 -6.249 8.079 -20.432 192 HH12 ARG 91 2HH1 ARG 91 -5.581 6.662 -21.170 193 HH21 ARG 91 1HH2 ARG 91 -8.563 5.715 -22.667 194 HH22 ARG 91 2HH2 ARG 91 -6.892 5.322 -22.436 195 H LEU 92 H LEU 92 -12.174 6.751 -18.310 196 HA LEU 92 HA LEU 92 -11.724 4.522 -19.925 197 HB2 LEU 92 2HB LEU 92 -13.463 4.565 -17.439 198 HB3 LEU 92 3HB LEU 92 -12.651 3.153 -18.112 199 HG LEU 92 HG LEU 92 -11.224 5.651 -17.148 200 HD11 LEU 92 1HD1 LEU 92 -11.827 3.012 -15.806 201 HD12 LEU 92 2HD1 LEU 92 -12.132 4.640 -15.202 202 HD13 LEU 92 3HD1 LEU 92 -10.480 4.029 -15.296 203 HD21 LEU 92 1HD2 LEU 92 -10.330 2.993 -18.273 204 HD22 LEU 92 2HD2 LEU 92 -9.286 3.875 -17.159 205 HD23 LEU 92 3HD2 LEU 92 -9.771 4.615 -18.682 206 H PHE 93 H PHE 93 -14.574 6.408 -19.701 207 HA PHE 93 HA PHE 93 -16.200 4.318 -21.097 208 HB2 PHE 93 2HB PHE 93 -16.786 6.433 -19.137 209 HB3 PHE 93 3HB PHE 93 -17.880 6.497 -20.515 210 HD1 PHE 93 1HD PHE 93 -19.555 4.827 -20.855 211 HD2 PHE 93 2HD PHE 93 -16.579 4.311 -17.801 212 HE1 PHE 93 1HE PHE 93 -20.833 2.912 -19.935 213 HE2 PHE 93 2HE PHE 93 -17.858 2.395 -16.881 214 HZ PHE 93 HZ PHE 93 -19.984 1.696 -17.948 215 HA PRO 94 HA PRO 94 -14.726 6.819 -24.700 216 HB2 PRO 94 2HB PRO 94 -16.858 5.038 -25.861 217 HB3 PRO 94 3HB PRO 94 -15.285 5.501 -26.547 218 HG2 PRO 94 2HG PRO 94 -15.597 3.131 -25.418 219 HG3 PRO 94 3HG PRO 94 -14.110 4.063 -25.157 220 HD2 PRO 94 2HD PRO 94 -16.372 3.567 -23.268 221 HD3 PRO 94 3HD PRO 94 -14.649 3.834 -22.913 222 H GLY 95 H GLY 95 -18.008 6.311 -23.553 223 HA2 GLY 95 2HA GLY 95 -19.335 8.212 -25.223 224 HA3 GLY 95 3HA GLY 95 -19.913 7.672 -23.648 225 H TRP 96 H TRP 96 -16.922 8.773 -22.939 226 HA TRP 96 HA TRP 96 -17.922 11.183 -21.731 227 HB2 TRP 96 2HB TRP 96 -15.743 11.519 -20.893 228 HB3 TRP 96 3HB TRP 96 -15.886 9.769 -21.007 229 HD1 TRP 96 HD TRP 96 -14.993 8.813 -23.558 230 HE1 TRP 96 1HE TRP 96 -12.783 9.440 -24.732 231 HE3 TRP 96 3HE TRP 96 -13.936 13.191 -21.160 232 HZ2 TRP 96 2HZ TRP 96 -10.833 11.518 -24.662 233 HZ3 TRP 96 3HZ TRP 96 -11.896 14.476 -21.734 234 HH2 TRP 96 HH TRP 96 -10.343 13.646 -23.481 235 H LYS 97 H LYS 97 -16.977 10.476 -24.898 236 HA LYS 97 HA LYS 97 -15.771 12.906 -25.733 237 HB2 LYS 97 2HB LYS 97 -16.651 12.295 -27.988 238 HB3 LYS 97 3HB LYS 97 -15.814 10.970 -27.187 239 HG2 LYS 97 2HG LYS 97 -17.959 10.015 -26.477 240 HG3 LYS 97 3HG LYS 97 -18.820 11.367 -27.208 241 HD2 LYS 97 2HD LYS 97 -18.864 9.435 -28.716 242 HD3 LYS 97 3HD LYS 97 -17.910 10.736 -29.426 243 HE2 LYS 97 2HE LYS 97 -15.886 9.621 -29.080 244 HE3 LYS 97 3HE LYS 97 -16.531 8.640 -27.762 245 HZ1 LYS 97 1HZ LYS 97 -16.599 7.096 -29.380 246 HZ2 LYS 97 2HZ LYS 97 -16.695 8.235 -30.637 247 HZ3 LYS 97 3HZ LYS 97 -18.082 7.834 -29.743 248 H ALA 98 H ALA 98 -18.910 12.320 -24.604 249 HA ALA 98 HA ALA 98 -19.919 14.866 -25.793 250 HB1 ALA 98 1HB ALA 98 -21.544 12.503 -24.835 251 HB2 ALA 98 2HB ALA 98 -21.120 12.783 -26.525 252 HB3 ALA 98 3HB ALA 98 -22.150 13.934 -25.671 253 H TRP 99 H TRP 99 -19.309 13.023 -22.931 254 HA TRP 99 HA TRP 99 -21.051 14.485 -21.187 255 HB2 TRP 99 2HB TRP 99 -18.480 13.080 -20.430 256 HB3 TRP 99 3HB TRP 99 -19.830 13.459 -19.366 257 HD1 TRP 99 HD TRP 99 -21.594 12.443 -22.291 258 HE1 TRP 99 1HE TRP 99 -22.156 9.936 -22.290 259 HE3 TRP 99 3HE TRP 99 -18.408 10.812 -18.639 260 HZ2 TRP 99 2HZ TRP 99 -21.377 7.555 -20.933 261 HZ3 TRP 99 3HZ TRP 99 -18.343 8.415 -18.014 262 HH2 TRP 99 HH TRP 99 -19.823 6.784 -19.155 263 H VAL 100 H VAL 100 -17.802 15.024 -22.383 264 HA VAL 100 HA VAL 100 -17.016 17.016 -20.509 265 HB VAL 100 HB VAL 100 -15.405 17.697 -22.291 266 HG11 VAL 100 1HG1 VAL 100 -14.122 15.695 -22.197 267 HG12 VAL 100 2HG1 VAL 100 -15.567 14.687 -22.103 268 HG13 VAL 100 3HG1 VAL 100 -15.099 15.690 -20.730 269 HG21 VAL 100 1HG2 VAL 100 -15.391 16.423 -24.402 270 HG22 VAL 100 2HG2 VAL 100 -16.904 17.312 -24.223 271 HG23 VAL 100 3HG2 VAL 100 -16.857 15.579 -23.905 Start of MODEL 4 1 H THR 68 H THR 68 7.078 -8.940 -3.542 2 HA THR 68 HA THR 68 4.895 -10.600 -2.730 3 HB THR 68 HB THR 68 4.688 -7.594 -2.934 4 HG1 THR 68 1HG THR 68 6.789 -8.313 -2.131 5 HG21 THR 68 1HG2 THR 68 3.952 -9.357 -0.607 6 HG22 THR 68 2HG2 THR 68 2.870 -9.214 -1.992 7 HG23 THR 68 3HG2 THR 68 3.294 -7.783 -1.053 8 H VAL 69 H VAL 69 2.959 -8.260 -3.561 9 HA VAL 69 HA VAL 69 2.671 -8.458 -6.399 10 HB VAL 69 HB VAL 69 2.064 -10.759 -5.992 11 HG11 VAL 69 1HG1 VAL 69 0.566 -11.503 -4.362 12 HG12 VAL 69 2HG1 VAL 69 -0.244 -9.944 -4.242 13 HG13 VAL 69 3HG1 VAL 69 1.349 -10.167 -3.522 14 HG21 VAL 69 1HG2 VAL 69 -0.518 -9.231 -6.351 15 HG22 VAL 69 2HG2 VAL 69 -0.083 -10.790 -7.051 16 HG23 VAL 69 3HG2 VAL 69 0.715 -9.319 -7.608 17 H LEU 70 H LEU 70 0.478 -8.418 -3.579 18 HA LEU 70 HA LEU 70 -1.464 -6.672 -4.498 19 HB2 LEU 70 2HB LEU 70 -0.244 -6.434 -1.733 20 HB3 LEU 70 3HB LEU 70 -1.893 -6.032 -2.209 21 HG LEU 70 HG LEU 70 -0.666 -8.806 -2.244 22 HD11 LEU 70 1HD1 LEU 70 -1.147 -7.943 0.022 23 HD12 LEU 70 2HD1 LEU 70 -2.246 -9.252 -0.409 24 HD13 LEU 70 3HD1 LEU 70 -2.801 -7.580 -0.471 25 HD21 LEU 70 1HD2 LEU 70 -3.182 -9.383 -2.601 26 HD22 LEU 70 2HD2 LEU 70 -2.268 -8.796 -3.987 27 HD23 LEU 70 3HD2 LEU 70 -3.344 -7.704 -3.115 28 H SER 71 H SER 71 1.744 -5.852 -3.308 29 HA SER 71 HA SER 71 2.714 -3.669 -3.008 30 HB2 SER 71 2HB SER 71 2.822 -4.807 -5.558 31 HB3 SER 71 3HB SER 71 2.434 -3.120 -5.871 32 HG SER 71 HG SER 71 4.273 -3.322 -3.915 33 H VAL 72 H VAL 72 1.520 -2.247 -1.925 34 HA VAL 72 HA VAL 72 -0.882 -1.012 -2.842 35 HB VAL 72 HB VAL 72 -0.531 0.507 -0.980 36 HG11 VAL 72 1HG1 VAL 72 -0.120 -1.149 0.825 37 HG12 VAL 72 2HG1 VAL 72 0.494 -2.281 -0.381 38 HG13 VAL 72 3HG1 VAL 72 -1.198 -1.784 -0.417 39 HG21 VAL 72 1HG2 VAL 72 2.313 -0.494 -1.179 40 HG22 VAL 72 2HG2 VAL 72 1.697 0.259 0.295 41 HG23 VAL 72 3HG2 VAL 72 1.742 1.177 -1.210 42 H GLY 73 H GLY 73 2.529 0.012 -2.976 43 HA2 GLY 73 2HA GLY 73 2.258 2.598 -3.986 44 HA3 GLY 73 3HA GLY 73 3.575 1.518 -4.446 45 H GLY 74 H GLY 74 1.074 -0.232 -5.426 46 HA2 GLY 74 2HA GLY 74 1.362 0.646 -8.199 47 HA3 GLY 74 3HA GLY 74 0.407 -0.725 -7.641 48 H GLN 75 H GLN 75 -1.568 0.106 -6.176 49 HA GLN 75 HA GLN 75 -3.161 1.745 -7.949 50 HB2 GLN 75 2HB GLN 75 -3.651 0.432 -5.277 51 HB3 GLN 75 3HB GLN 75 -4.834 1.549 -5.958 52 HG2 GLN 75 2HG GLN 75 -5.401 -0.737 -6.612 53 HG3 GLN 75 3HG GLN 75 -4.899 0.180 -8.034 54 HE21 GLN 75 1HE2 GLN 75 -2.609 -0.174 -8.788 55 HE22 GLN 75 2HE2 GLN 75 -1.853 -1.658 -8.462 56 H VAL 76 H VAL 76 -1.360 2.248 -4.996 57 HA VAL 76 HA VAL 76 -2.528 4.800 -4.344 58 HB VAL 76 HB VAL 76 0.256 3.775 -3.704 59 HG11 VAL 76 1HG1 VAL 76 -1.512 5.927 -2.510 60 HG12 VAL 76 2HG1 VAL 76 0.078 6.135 -3.244 61 HG13 VAL 76 3HG1 VAL 76 -0.078 5.294 -1.702 62 HG21 VAL 76 1HG2 VAL 76 -2.237 3.585 -1.996 63 HG22 VAL 76 2HG2 VAL 76 -0.683 2.798 -1.727 64 HG23 VAL 76 3HG2 VAL 76 -1.719 2.273 -3.057 65 H ASN 77 H ASN 77 0.508 3.907 -6.039 66 HA ASN 77 HA ASN 77 1.303 6.522 -6.745 67 HB2 ASN 77 2HB ASN 77 2.758 4.594 -7.137 68 HB3 ASN 77 3HB ASN 77 1.616 3.946 -8.317 69 HD21 ASN 77 1HD2 ASN 77 4.349 5.981 -7.952 70 HD22 ASN 77 2HD2 ASN 77 4.307 6.701 -9.489 71 H LEU 78 H LEU 78 -1.056 4.352 -8.245 72 HA LEU 78 HA LEU 78 -1.515 6.097 -10.525 73 HB2 LEU 78 2HB LEU 78 -2.049 3.747 -10.751 74 HB3 LEU 78 3HB LEU 78 -3.071 3.788 -9.318 75 HG LEU 78 HG LEU 78 -4.686 5.218 -10.457 76 HD11 LEU 78 1HD1 LEU 78 -3.368 6.612 -11.853 77 HD12 LEU 78 2HD1 LEU 78 -4.262 5.596 -12.982 78 HD13 LEU 78 3HD1 LEU 78 -2.574 5.237 -12.619 79 HD21 LEU 78 1HD2 LEU 78 -3.916 3.020 -12.385 80 HD22 LEU 78 2HD2 LEU 78 -5.532 3.616 -12.008 81 HD23 LEU 78 3HD2 LEU 78 -4.636 2.679 -10.810 82 H LEU 79 H LEU 79 -3.231 5.458 -7.488 83 HA LEU 79 HA LEU 79 -5.300 7.372 -7.931 84 HB2 LEU 79 2HB LEU 79 -4.282 5.791 -5.611 85 HB3 LEU 79 3HB LEU 79 -5.213 7.230 -5.213 86 HG LEU 79 HG LEU 79 -7.041 6.404 -6.721 87 HD11 LEU 79 1HD1 LEU 79 -7.008 4.220 -7.637 88 HD12 LEU 79 2HD1 LEU 79 -5.618 3.738 -6.669 89 HD13 LEU 79 3HD1 LEU 79 -5.411 4.861 -8.011 90 HD21 LEU 79 1HD2 LEU 79 -7.876 4.768 -5.131 91 HD22 LEU 79 2HD2 LEU 79 -6.994 6.013 -4.246 92 HD23 LEU 79 3HD2 LEU 79 -6.241 4.446 -4.550 93 H ILE 80 H ILE 80 -1.965 7.761 -7.141 94 HA ILE 80 HA ILE 80 -2.370 10.298 -5.763 95 HB ILE 80 HB ILE 80 -0.296 8.495 -5.757 96 HG12 ILE 80 2HG1 ILE 80 -0.815 10.340 -4.094 97 HG13 ILE 80 3HG1 ILE 80 0.895 10.028 -4.360 98 HG21 ILE 80 1HG2 ILE 80 1.695 9.573 -6.724 99 HG22 ILE 80 2HG2 ILE 80 0.690 10.812 -7.463 100 HG23 ILE 80 3HG2 ILE 80 0.541 9.143 -7.966 101 HD11 ILE 80 1HD1 ILE 80 -0.252 12.516 -4.478 102 HD12 ILE 80 2HD1 ILE 80 -0.244 12.062 -6.186 103 HD13 ILE 80 3HD1 ILE 80 1.260 12.079 -5.268 104 H GLN 81 H GLN 81 -0.990 9.358 -8.925 105 HA GLN 81 HA GLN 81 -0.684 11.963 -9.951 106 HB2 GLN 81 2HB GLN 81 -1.464 9.407 -11.379 107 HB3 GLN 81 3HB GLN 81 -0.998 10.887 -12.211 108 HG2 GLN 81 2HG GLN 81 1.234 10.649 -11.687 109 HG3 GLN 81 3HG GLN 81 0.905 9.938 -10.112 110 HE21 GLN 81 1HE2 GLN 81 -0.305 7.632 -10.418 111 HE22 GLN 81 2HE2 GLN 81 0.440 6.609 -11.553 112 H GLN 82 H GLN 82 -3.515 9.791 -10.381 113 HA GLN 82 HA GLN 82 -5.104 11.716 -11.747 114 HB2 GLN 82 2HB GLN 82 -6.935 10.235 -11.433 115 HB3 GLN 82 3HB GLN 82 -5.514 9.200 -11.521 116 HG2 GLN 82 2HG GLN 82 -6.589 8.325 -9.641 117 HG3 GLN 82 3HG GLN 82 -5.487 9.481 -8.897 118 HE21 GLN 82 1HE2 GLN 82 -8.579 10.120 -10.621 119 HE22 GLN 82 2HE2 GLN 82 -9.341 10.861 -9.299 120 H ALA 83 H ALA 83 -4.797 11.049 -8.265 121 HA ALA 83 HA ALA 83 -6.904 12.804 -7.452 122 HB1 ALA 83 1HB ALA 83 -5.656 12.770 -5.227 123 HB2 ALA 83 2HB ALA 83 -4.457 11.753 -6.026 124 HB3 ALA 83 3HB ALA 83 -6.122 11.195 -5.870 125 H ILE 84 H ILE 84 -3.439 13.343 -8.018 126 HA ILE 84 HA ILE 84 -3.970 16.273 -8.050 127 HB ILE 84 HB ILE 84 -1.614 16.497 -6.948 128 HG12 ILE 84 2HG1 ILE 84 -1.417 13.862 -7.079 129 HG13 ILE 84 3HG1 ILE 84 -0.755 14.726 -5.700 130 HG21 ILE 84 1HG2 ILE 84 -3.525 17.368 -5.828 131 HG22 ILE 84 2HG2 ILE 84 -2.666 16.383 -4.645 132 HG23 ILE 84 3HG2 ILE 84 -4.118 15.755 -5.428 133 HD11 ILE 84 1HD1 ILE 84 -3.598 13.850 -5.456 134 HD12 ILE 84 2HD1 ILE 84 -2.326 13.901 -4.244 135 HD13 ILE 84 3HD1 ILE 84 -2.372 12.595 -5.421 136 H ASP 85 H ASP 85 -3.812 16.083 -10.334 137 HA ASP 85 HA ASP 85 -1.714 14.796 -11.729 138 HB2 ASP 85 2HB ASP 85 -3.943 16.236 -12.479 139 HB3 ASP 85 3HB ASP 85 -2.658 17.342 -12.955 140 HA PRO 86 HA PRO 86 0.584 19.130 -11.396 141 HB2 PRO 86 2HB PRO 86 -0.380 19.928 -8.679 142 HB3 PRO 86 3HB PRO 86 -0.110 20.931 -10.121 143 HG2 PRO 86 2HG PRO 86 -2.568 20.348 -9.344 144 HG3 PRO 86 3HG PRO 86 -2.145 20.340 -11.067 145 HD2 PRO 86 2HD PRO 86 -2.446 18.004 -9.198 146 HD3 PRO 86 3HD PRO 86 -3.054 18.188 -10.857 147 H LYS 87 H LYS 87 0.623 16.335 -9.933 148 HA LYS 87 HA LYS 87 2.103 16.395 -7.577 149 HB2 LYS 87 2HB LYS 87 3.054 14.243 -8.233 150 HB3 LYS 87 3HB LYS 87 1.368 14.310 -8.744 151 HG2 LYS 87 2HG LYS 87 2.137 15.021 -11.021 152 HG3 LYS 87 3HG LYS 87 3.803 14.778 -10.493 153 HD2 LYS 87 2HD LYS 87 3.256 12.410 -9.950 154 HD3 LYS 87 3HD LYS 87 1.634 12.666 -10.592 155 HE2 LYS 87 2HE LYS 87 2.428 12.975 -12.798 156 HE3 LYS 87 3HE LYS 87 4.082 13.267 -12.258 157 HZ1 LYS 87 1HZ LYS 87 3.170 10.732 -11.377 158 HZ2 LYS 87 2HZ LYS 87 4.513 11.112 -12.345 159 HZ3 LYS 87 3HZ LYS 87 2.992 10.865 -13.059 160 H ASN 88 H ASN 88 3.074 17.408 -10.748 161 HA ASN 88 HA ASN 88 5.937 17.349 -10.247 162 HB2 ASN 88 2HB ASN 88 6.014 18.859 -12.270 163 HB3 ASN 88 3HB ASN 88 5.176 17.330 -12.544 164 HD21 ASN 88 1HD2 ASN 88 4.700 20.821 -12.156 165 HD22 ASN 88 2HD2 ASN 88 3.082 20.835 -12.666 166 H LEU 89 H LEU 89 3.597 20.027 -10.547 167 HA LEU 89 HA LEU 89 5.187 22.147 -9.712 168 HB2 LEU 89 2HB LEU 89 2.893 22.473 -10.457 169 HB3 LEU 89 3HB LEU 89 2.278 21.582 -9.068 170 HG LEU 89 HG LEU 89 3.063 23.307 -7.546 171 HD11 LEU 89 1HD1 LEU 89 5.089 24.103 -8.443 172 HD12 LEU 89 2HD1 LEU 89 3.995 25.460 -8.697 173 HD13 LEU 89 3HD1 LEU 89 4.387 24.381 -10.036 174 HD21 LEU 89 1HD2 LEU 89 0.885 23.572 -8.847 175 HD22 LEU 89 2HD2 LEU 89 1.752 24.693 -9.896 176 HD23 LEU 89 3HD2 LEU 89 1.558 25.061 -8.182 177 H SER 90 H SER 90 3.806 19.570 -7.776 178 HA SER 90 HA SER 90 4.592 20.860 -5.254 179 HB2 SER 90 2HB SER 90 3.297 18.194 -5.863 180 HB3 SER 90 3HB SER 90 3.664 18.760 -4.236 181 HG SER 90 HG SER 90 1.700 19.553 -6.012 182 H ARG 91 H ARG 91 5.783 18.410 -7.462 183 HA ARG 91 HA ARG 91 7.709 17.349 -5.508 184 HB2 ARG 91 2HB ARG 91 6.749 15.843 -7.169 185 HB3 ARG 91 3HB ARG 91 7.351 16.860 -8.475 186 HG2 ARG 91 2HG ARG 91 9.611 16.324 -8.011 187 HG3 ARG 91 3HG ARG 91 9.215 15.669 -6.422 188 HD2 ARG 91 2HD ARG 91 7.978 14.408 -8.855 189 HD3 ARG 91 3HD ARG 91 9.653 14.032 -8.454 190 HE ARG 91 HE ARG 91 8.324 13.659 -6.060 191 HH11 ARG 91 1HH1 ARG 91 7.414 11.676 -5.462 192 HH12 ARG 91 2HH1 ARG 91 6.940 10.551 -6.691 193 HH21 ARG 91 1HH2 ARG 91 7.934 12.591 -9.314 194 HH22 ARG 91 2HH2 ARG 91 7.235 11.069 -8.872 195 H LEU 92 H LEU 92 7.646 19.949 -7.810 196 HA LEU 92 HA LEU 92 10.293 20.142 -8.691 197 HB2 LEU 92 2HB LEU 92 8.426 22.306 -7.690 198 HB3 LEU 92 3HB LEU 92 9.995 22.670 -8.401 199 HG LEU 92 HG LEU 92 7.842 21.046 -9.783 200 HD11 LEU 92 1HD1 LEU 92 7.138 23.393 -9.364 201 HD12 LEU 92 2HD1 LEU 92 7.373 23.071 -11.082 202 HD13 LEU 92 3HD1 LEU 92 8.598 23.957 -10.175 203 HD21 LEU 92 1HD2 LEU 92 9.800 20.480 -10.913 204 HD22 LEU 92 2HD2 LEU 92 10.593 22.009 -10.537 205 HD23 LEU 92 3HD2 LEU 92 9.360 21.938 -11.795 206 H PHE 93 H PHE 93 9.090 20.205 -5.505 207 HA PHE 93 HA PHE 93 11.782 20.976 -4.424 208 HB2 PHE 93 2HB PHE 93 9.175 21.288 -2.929 209 HB3 PHE 93 3HB PHE 93 10.735 22.040 -2.587 210 HD1 PHE 93 1HD PHE 93 7.576 22.476 -4.177 211 HD2 PHE 93 2HD PHE 93 11.719 23.573 -4.470 212 HE1 PHE 93 1HE PHE 93 6.962 24.418 -5.591 213 HE2 PHE 93 2HE PHE 93 11.105 25.514 -5.884 214 HZ PHE 93 HZ PHE 93 8.727 25.937 -6.445 215 HA PRO 94 HA PRO 94 11.051 16.414 -3.667 216 HB2 PRO 94 2HB PRO 94 13.839 16.986 -2.680 217 HB3 PRO 94 3HB PRO 94 13.223 15.558 -3.540 218 HG2 PRO 94 2HG PRO 94 14.582 17.414 -4.848 219 HG3 PRO 94 3HG PRO 94 13.159 16.653 -5.584 220 HD2 PRO 94 2HD PRO 94 13.448 19.407 -4.464 221 HD3 PRO 94 3HD PRO 94 12.382 18.830 -5.767 222 H GLY 95 H GLY 95 11.805 19.097 -1.621 223 HA2 GLY 95 2HA GLY 95 11.877 17.715 0.902 224 HA3 GLY 95 3HA GLY 95 11.545 19.435 0.687 225 H TRP 96 H TRP 96 9.357 18.050 -1.305 226 HA TRP 96 HA TRP 96 7.192 18.488 0.573 227 HB2 TRP 96 2HB TRP 96 5.730 18.126 -1.242 228 HB3 TRP 96 3HB TRP 96 7.161 18.818 -1.997 229 HD1 TRP 96 HD TRP 96 9.049 16.553 -2.482 230 HE1 TRP 96 1HE TRP 96 8.463 14.507 -3.938 231 HE3 TRP 96 3HE TRP 96 3.955 16.771 -2.296 232 HZ2 TRP 96 2HZ TRP 96 6.147 13.145 -4.893 233 HZ3 TRP 96 3HZ TRP 96 2.581 15.085 -3.487 234 HH2 TRP 96 HH TRP 96 3.670 13.273 -4.785 235 H LYS 97 H LYS 97 9.247 15.869 0.024 236 HA LYS 97 HA LYS 97 7.508 13.648 0.333 237 HB2 LYS 97 2HB LYS 97 10.396 14.099 1.091 238 HB3 LYS 97 3HB LYS 97 9.594 12.555 1.377 239 HG2 LYS 97 2HG LYS 97 8.980 12.483 -1.053 240 HG3 LYS 97 3HG LYS 97 9.935 13.944 -1.300 241 HD2 LYS 97 2HD LYS 97 11.141 11.490 -0.010 242 HD3 LYS 97 3HD LYS 97 11.072 11.657 -1.762 243 HE2 LYS 97 2HE LYS 97 12.244 13.880 -1.522 244 HE3 LYS 97 3HE LYS 97 12.457 13.517 0.191 245 HZ1 LYS 97 1HZ LYS 97 13.452 11.328 -0.686 246 HZ2 LYS 97 2HZ LYS 97 14.397 12.740 -0.744 247 HZ3 LYS 97 3HZ LYS 97 13.630 12.168 -2.149 248 H ALA 98 H ALA 98 8.135 16.166 2.507 249 HA ALA 98 HA ALA 98 7.138 14.535 4.797 250 HB1 ALA 98 1HB ALA 98 9.509 15.285 5.076 251 HB2 ALA 98 2HB ALA 98 8.423 15.976 6.282 252 HB3 ALA 98 3HB ALA 98 8.956 16.952 4.913 253 H TRP 99 H TRP 99 6.846 17.356 2.825 254 HA TRP 99 HA TRP 99 5.120 18.799 4.649 255 HB2 TRP 99 2HB TRP 99 5.271 19.253 1.670 256 HB3 TRP 99 3HB TRP 99 4.910 20.423 2.936 257 HD1 TRP 99 HD TRP 99 7.559 18.958 4.625 258 HE1 TRP 99 1HE TRP 99 9.860 19.953 4.048 259 HE3 TRP 99 3HE TRP 99 6.442 21.310 0.224 260 HZ2 TRP 99 2HZ TRP 99 11.073 21.528 2.012 261 HZ3 TRP 99 3HZ TRP 99 8.196 22.552 -1.010 262 HH2 TRP 99 HH TRP 99 10.509 22.665 -0.123 263 H VAL 100 H VAL 100 4.668 16.030 2.891 264 HA VAL 100 HA VAL 100 2.203 16.279 1.588 265 HB VAL 100 HB VAL 100 1.890 13.821 2.444 266 HG11 VAL 100 1HG1 VAL 100 2.755 14.465 0.205 267 HG12 VAL 100 2HG1 VAL 100 3.557 13.026 0.835 268 HG13 VAL 100 3HG1 VAL 100 4.377 14.586 0.887 269 HG21 VAL 100 1HG2 VAL 100 3.752 12.805 3.504 270 HG22 VAL 100 2HG2 VAL 100 3.528 14.317 4.381 271 HG23 VAL 100 3HG2 VAL 100 4.802 14.180 3.170 Start of MODEL 5 1 H THR 68 H THR 68 6.105 -5.867 -11.883 2 HA THR 68 HA THR 68 5.439 -4.284 -9.498 3 HB THR 68 HB THR 68 3.488 -4.699 -11.774 4 HG1 THR 68 1HG THR 68 3.592 -2.253 -10.683 5 HG21 THR 68 1HG2 THR 68 2.231 -5.171 -9.814 6 HG22 THR 68 2HG2 THR 68 1.910 -3.471 -10.160 7 HG23 THR 68 3HG2 THR 68 3.053 -3.912 -8.890 8 H VAL 69 H VAL 69 4.915 -5.711 -7.893 9 HA VAL 69 HA VAL 69 3.601 -8.263 -8.560 10 HB VAL 69 HB VAL 69 5.239 -9.610 -7.400 11 HG11 VAL 69 1HG1 VAL 69 5.653 -8.936 -9.799 12 HG12 VAL 69 2HG1 VAL 69 7.109 -9.385 -8.912 13 HG13 VAL 69 3HG1 VAL 69 6.738 -7.684 -9.196 14 HG21 VAL 69 1HG2 VAL 69 7.456 -8.242 -6.753 15 HG22 VAL 69 2HG2 VAL 69 6.126 -8.403 -5.612 16 HG23 VAL 69 3HG2 VAL 69 6.301 -6.923 -6.555 17 H LEU 70 H LEU 70 1.781 -7.935 -7.348 18 HA LEU 70 HA LEU 70 0.439 -7.460 -5.474 19 HB2 LEU 70 2HB LEU 70 2.815 -8.412 -3.871 20 HB3 LEU 70 3HB LEU 70 1.104 -8.570 -3.475 21 HG LEU 70 HG LEU 70 2.608 -9.992 -5.688 22 HD11 LEU 70 1HD1 LEU 70 2.893 -11.029 -3.518 23 HD12 LEU 70 2HD1 LEU 70 1.750 -12.004 -4.442 24 HD13 LEU 70 3HD1 LEU 70 1.165 -10.912 -3.187 25 HD21 LEU 70 1HD2 LEU 70 0.493 -9.486 -6.652 26 HD22 LEU 70 2HD2 LEU 70 -0.354 -9.732 -5.123 27 HD23 LEU 70 3HD2 LEU 70 0.300 -11.115 -6.003 28 H SER 71 H SER 71 2.910 -5.594 -6.264 29 HA SER 71 HA SER 71 3.388 -4.106 -3.846 30 HB2 SER 71 2HB SER 71 4.992 -4.151 -5.771 31 HB3 SER 71 3HB SER 71 3.820 -3.242 -6.719 32 HG SER 71 HG SER 71 4.079 -1.992 -4.419 33 H VAL 72 H VAL 72 1.718 -3.180 -2.929 34 HA VAL 72 HA VAL 72 -0.514 -2.089 -4.441 35 HB VAL 72 HB VAL 72 -1.384 -1.558 -2.225 36 HG11 VAL 72 1HG1 VAL 72 0.062 -4.226 -2.349 37 HG12 VAL 72 2HG1 VAL 72 -1.551 -3.885 -2.978 38 HG13 VAL 72 3HG1 VAL 72 -1.259 -3.847 -1.240 39 HG21 VAL 72 1HG2 VAL 72 0.554 -0.702 -1.103 40 HG22 VAL 72 2HG2 VAL 72 1.449 -2.197 -1.380 41 HG23 VAL 72 3HG2 VAL 72 0.104 -2.172 -0.239 42 H GLY 73 H GLY 73 2.434 -0.888 -2.980 43 HA2 GLY 73 2HA GLY 73 1.924 1.841 -2.660 44 HA3 GLY 73 3HA GLY 73 3.468 1.214 -3.245 45 H GLY 74 H GLY 74 2.021 -0.046 -5.575 46 HA2 GLY 74 2HA GLY 74 2.303 2.192 -7.401 47 HA3 GLY 74 3HA GLY 74 1.754 0.568 -7.836 48 H GLN 75 H GLN 75 -0.441 0.351 -6.052 49 HA GLN 75 HA GLN 75 -2.481 1.699 -7.511 50 HB2 GLN 75 2HB GLN 75 -2.377 0.271 -4.858 51 HB3 GLN 75 3HB GLN 75 -3.820 1.196 -5.271 52 HG2 GLN 75 2HG GLN 75 -3.978 -1.207 -5.951 53 HG3 GLN 75 3HG GLN 75 -4.123 -0.094 -7.314 54 HE21 GLN 75 1HE2 GLN 75 -3.049 -1.044 -9.054 55 HE22 GLN 75 2HE2 GLN 75 -1.512 -1.761 -8.972 56 H VAL 76 H VAL 76 -0.359 2.653 -4.982 57 HA VAL 76 HA VAL 76 -1.959 4.989 -4.176 58 HB VAL 76 HB VAL 76 0.957 4.497 -3.540 59 HG11 VAL 76 1HG1 VAL 76 -1.262 5.832 -1.966 60 HG12 VAL 76 2HG1 VAL 76 -0.122 6.701 -2.991 61 HG13 VAL 76 3HG1 VAL 76 0.457 5.826 -1.575 62 HG21 VAL 76 1HG2 VAL 76 0.176 3.277 -1.534 63 HG22 VAL 76 2HG2 VAL 76 -0.315 2.446 -3.010 64 HG23 VAL 76 3HG2 VAL 76 -1.487 3.404 -2.108 65 H ASN 77 H ASN 77 1.213 4.490 -5.814 66 HA ASN 77 HA ASN 77 1.588 7.206 -6.521 67 HB2 ASN 77 2HB ASN 77 3.418 6.451 -7.714 68 HB3 ASN 77 3HB ASN 77 3.094 4.987 -6.799 69 HD21 ASN 77 1HD2 ASN 77 0.696 4.227 -8.353 70 HD22 ASN 77 2HD2 ASN 77 1.252 3.728 -9.878 71 H LEU 78 H LEU 78 -0.692 4.958 -7.541 72 HA LEU 78 HA LEU 78 -1.246 6.221 -10.147 73 HB2 LEU 78 2HB LEU 78 -1.518 3.780 -9.880 74 HB3 LEU 78 3HB LEU 78 -2.707 4.048 -8.609 75 HG LEU 78 HG LEU 78 -4.159 5.237 -10.250 76 HD11 LEU 78 1HD1 LEU 78 -2.739 6.105 -11.908 77 HD12 LEU 78 2HD1 LEU 78 -3.468 4.728 -12.730 78 HD13 LEU 78 3HD1 LEU 78 -1.838 4.597 -12.067 79 HD21 LEU 78 1HD2 LEU 78 -4.250 2.728 -9.801 80 HD22 LEU 78 2HD2 LEU 78 -3.338 2.516 -11.295 81 HD23 LEU 78 3HD2 LEU 78 -4.941 3.248 -11.338 82 H LEU 79 H LEU 79 -3.281 5.482 -7.315 83 HA LEU 79 HA LEU 79 -5.360 7.252 -7.825 84 HB2 LEU 79 2HB LEU 79 -4.740 5.536 -5.795 85 HB3 LEU 79 3HB LEU 79 -4.505 7.067 -4.967 86 HG LEU 79 HG LEU 79 -6.788 6.310 -4.633 87 HD11 LEU 79 1HD1 LEU 79 -7.953 8.284 -5.275 88 HD12 LEU 79 2HD1 LEU 79 -6.904 8.543 -6.667 89 HD13 LEU 79 3HD1 LEU 79 -6.274 8.764 -5.034 90 HD21 LEU 79 1HD2 LEU 79 -6.674 5.086 -7.035 91 HD22 LEU 79 2HD2 LEU 79 -7.527 6.549 -7.528 92 HD23 LEU 79 3HD2 LEU 79 -8.200 5.518 -6.270 93 H ILE 80 H ILE 80 -2.112 8.103 -7.125 94 HA ILE 80 HA ILE 80 -2.880 10.782 -6.139 95 HB ILE 80 HB ILE 80 -0.966 9.307 -5.148 96 HG12 ILE 80 2HG1 ILE 80 -1.425 11.555 -4.359 97 HG13 ILE 80 3HG1 ILE 80 0.316 11.367 -4.555 98 HG21 ILE 80 1HG2 ILE 80 0.577 10.695 -7.347 99 HG22 ILE 80 2HG2 ILE 80 0.168 8.984 -7.346 100 HG23 ILE 80 3HG2 ILE 80 1.217 9.631 -6.096 101 HD11 ILE 80 1HD1 ILE 80 -0.102 13.450 -5.553 102 HD12 ILE 80 2HD1 ILE 80 -1.616 12.911 -6.269 103 HD13 ILE 80 3HD1 ILE 80 -0.080 12.362 -6.940 104 H GLN 81 H GLN 81 -0.768 9.474 -8.799 105 HA GLN 81 HA GLN 81 -0.445 12.006 -10.056 106 HB2 GLN 81 2HB GLN 81 -0.176 10.688 -12.203 107 HB3 GLN 81 3HB GLN 81 0.866 10.164 -10.883 108 HG2 GLN 81 2HG GLN 81 -0.019 8.154 -11.747 109 HG3 GLN 81 3HG GLN 81 -0.997 8.484 -10.325 110 HE21 GLN 81 1HE2 GLN 81 -3.222 8.595 -10.621 111 HE22 GLN 81 2HE2 GLN 81 -3.987 8.712 -12.134 112 H GLN 82 H GLN 82 -3.244 10.174 -9.555 113 HA GLN 82 HA GLN 82 -4.717 11.395 -11.828 114 HB2 GLN 82 2HB GLN 82 -5.619 9.286 -11.683 115 HB3 GLN 82 3HB GLN 82 -5.059 9.072 -10.031 116 HG2 GLN 82 2HG GLN 82 -6.955 10.332 -9.171 117 HG3 GLN 82 3HG GLN 82 -7.482 10.724 -10.812 118 HE21 GLN 82 1HE2 GLN 82 -6.373 7.702 -9.238 119 HE22 GLN 82 2HE2 GLN 82 -7.717 6.774 -9.704 120 H ALA 83 H ALA 83 -4.859 11.168 -8.285 121 HA ALA 83 HA ALA 83 -6.918 12.982 -7.764 122 HB1 ALA 83 1HB ALA 83 -4.366 12.641 -6.165 123 HB2 ALA 83 2HB ALA 83 -5.783 11.597 -6.052 124 HB3 ALA 83 3HB ALA 83 -5.893 13.290 -5.564 125 H ILE 84 H ILE 84 -4.014 13.685 -9.356 126 HA ILE 84 HA ILE 84 -3.129 16.143 -8.508 127 HB ILE 84 HB ILE 84 -3.725 15.273 -11.347 128 HG12 ILE 84 2HG1 ILE 84 -2.098 13.936 -9.763 129 HG13 ILE 84 3HG1 ILE 84 -1.587 14.319 -11.402 130 HG21 ILE 84 1HG2 ILE 84 -2.154 17.589 -10.236 131 HG22 ILE 84 2HG2 ILE 84 -3.453 17.617 -11.428 132 HG23 ILE 84 3HG2 ILE 84 -1.876 16.959 -11.859 133 HD11 ILE 84 1HD1 ILE 84 -0.202 16.120 -10.657 134 HD12 ILE 84 2HD1 ILE 84 0.134 14.767 -9.579 135 HD13 ILE 84 3HD1 ILE 84 -0.900 16.086 -9.038 136 H ASP 85 H ASP 85 -6.293 15.400 -9.657 137 HA ASP 85 HA ASP 85 -7.239 17.837 -10.667 138 HB2 ASP 85 2HB ASP 85 -8.348 15.418 -9.545 139 HB3 ASP 85 3HB ASP 85 -9.222 16.764 -8.840 140 HA PRO 86 HA PRO 86 -7.333 21.100 -7.669 141 HB2 PRO 86 2HB PRO 86 -10.151 20.314 -6.951 142 HB3 PRO 86 3HB PRO 86 -9.466 21.938 -7.179 143 HG2 PRO 86 2HG PRO 86 -10.878 20.788 -9.112 144 HG3 PRO 86 3HG PRO 86 -9.436 21.749 -9.487 145 HD2 PRO 86 2HD PRO 86 -9.805 18.806 -9.638 146 HD3 PRO 86 3HD PRO 86 -8.645 19.831 -10.506 147 H LYS 87 H LYS 87 -8.392 17.914 -6.674 148 HA LYS 87 HA LYS 87 -8.437 18.140 -3.873 149 HB2 LYS 87 2HB LYS 87 -7.049 15.863 -5.309 150 HB3 LYS 87 3HB LYS 87 -7.924 15.806 -3.781 151 HG2 LYS 87 2HG LYS 87 -9.111 16.265 -6.533 152 HG3 LYS 87 3HG LYS 87 -9.335 14.849 -5.506 153 HD2 LYS 87 2HD LYS 87 -10.289 16.482 -3.754 154 HD3 LYS 87 3HD LYS 87 -10.382 17.649 -5.074 155 HE2 LYS 87 2HE LYS 87 -11.754 16.051 -6.379 156 HE3 LYS 87 3HE LYS 87 -11.685 14.911 -5.036 157 HZ1 LYS 87 1HZ LYS 87 -13.689 16.056 -4.773 158 HZ2 LYS 87 2HZ LYS 87 -12.988 17.565 -5.122 159 HZ3 LYS 87 3HZ LYS 87 -12.640 16.782 -3.654 160 H ASN 88 H ASN 88 -5.784 18.355 -6.110 161 HA ASN 88 HA ASN 88 -3.669 18.040 -4.151 162 HB2 ASN 88 2HB ASN 88 -2.180 18.666 -5.892 163 HB3 ASN 88 3HB ASN 88 -3.481 17.815 -6.719 164 HD21 ASN 88 1HD2 ASN 88 -5.368 19.446 -7.434 165 HD22 ASN 88 2HD2 ASN 88 -4.837 20.906 -8.116 166 H LEU 89 H LEU 89 -5.293 20.822 -5.667 167 HA LEU 89 HA LEU 89 -3.861 22.915 -4.481 168 HB2 LEU 89 2HB LEU 89 -5.620 23.364 -6.100 169 HB3 LEU 89 3HB LEU 89 -6.838 22.678 -5.030 170 HG LEU 89 HG LEU 89 -6.537 24.476 -3.430 171 HD11 LEU 89 1HD1 LEU 89 -4.948 26.399 -4.183 172 HD12 LEU 89 2HD1 LEU 89 -4.193 25.174 -5.201 173 HD13 LEU 89 3HD1 LEU 89 -4.228 24.967 -3.451 174 HD21 LEU 89 1HD2 LEU 89 -8.068 24.995 -5.223 175 HD22 LEU 89 2HD2 LEU 89 -6.741 25.415 -6.305 176 HD23 LEU 89 3HD2 LEU 89 -7.108 26.442 -4.919 177 H SER 90 H SER 90 -6.398 20.862 -3.119 178 HA SER 90 HA SER 90 -6.488 22.297 -0.598 179 HB2 SER 90 2HB SER 90 -7.764 20.224 0.148 180 HB3 SER 90 3HB SER 90 -8.467 21.094 -1.212 181 HG SER 90 HG SER 90 -7.732 19.556 -2.580 182 H ARG 91 H ARG 91 -4.635 19.672 -1.955 183 HA ARG 91 HA ARG 91 -3.683 18.485 0.466 184 HB2 ARG 91 2HB ARG 91 -3.405 17.549 -1.873 185 HB3 ARG 91 3HB ARG 91 -2.157 18.761 -2.142 186 HG2 ARG 91 2HG ARG 91 -0.839 16.980 -1.434 187 HG3 ARG 91 3HG ARG 91 -1.147 17.759 0.113 188 HD2 ARG 91 2HD ARG 91 -3.167 16.209 0.339 189 HD3 ARG 91 3HD ARG 91 -2.523 15.329 -1.047 190 HE ARG 91 HE ARG 91 -0.617 15.733 1.156 191 HH11 ARG 91 1HH1 ARG 91 0.127 13.831 2.116 192 HH12 ARG 91 2HH1 ARG 91 -0.676 12.334 1.780 193 HH21 ARG 91 1HH2 ARG 91 -3.017 13.758 -0.342 194 HH22 ARG 91 2HH2 ARG 91 -2.454 12.293 0.389 195 H LEU 92 H LEU 92 -2.591 21.317 -1.381 196 HA LEU 92 HA LEU 92 -0.095 21.816 -0.250 197 HB2 LEU 92 2HB LEU 92 -2.186 23.986 -0.544 198 HB3 LEU 92 3HB LEU 92 -0.438 24.139 -0.714 199 HG LEU 92 HG LEU 92 -2.335 22.672 -2.568 200 HD11 LEU 92 1HD1 LEU 92 -1.712 24.313 -4.178 201 HD12 LEU 92 2HD1 LEU 92 -0.364 24.878 -3.192 202 HD13 LEU 92 3HD1 LEU 92 -2.022 25.216 -2.695 203 HD21 LEU 92 1HD2 LEU 92 -0.145 22.324 -3.898 204 HD22 LEU 92 2HD2 LEU 92 -0.404 21.283 -2.500 205 HD23 LEU 92 3HD2 LEU 92 0.686 22.664 -2.380 206 H PHE 93 H PHE 93 -3.170 21.783 1.284 207 HA PHE 93 HA PHE 93 -1.986 22.824 3.838 208 HB2 PHE 93 2HB PHE 93 -4.764 22.941 2.669 209 HB3 PHE 93 3HB PHE 93 -4.542 23.015 4.416 210 HD1 PHE 93 1HD PHE 93 -3.710 24.674 1.200 211 HD2 PHE 93 2HD PHE 93 -3.645 24.964 5.483 212 HE1 PHE 93 1HE PHE 93 -3.116 27.074 1.028 213 HE2 PHE 93 2HE PHE 93 -3.050 27.366 5.311 214 HZ PHE 93 HZ PHE 93 -2.786 28.420 3.083 215 HA PRO 94 HA PRO 94 -2.216 18.179 4.227 216 HB2 PRO 94 2HB PRO 94 -1.021 19.146 6.818 217 HB3 PRO 94 3HB PRO 94 -0.602 17.712 5.856 218 HG2 PRO 94 2HG PRO 94 0.904 19.881 5.731 219 HG3 PRO 94 3HG PRO 94 0.540 18.955 4.263 220 HD2 PRO 94 2HD PRO 94 -0.540 21.602 5.132 221 HD3 PRO 94 3HD PRO 94 -0.279 20.981 3.485 222 H GLY 95 H GLY 95 -3.630 20.771 5.989 223 HA2 GLY 95 2HA GLY 95 -4.983 19.307 8.040 224 HA3 GLY 95 3HA GLY 95 -5.495 20.871 7.403 225 H TRP 96 H TRP 96 -5.295 19.051 4.699 226 HA TRP 96 HA TRP 96 -8.139 18.805 4.442 227 HB2 TRP 96 2HB TRP 96 -7.733 18.014 2.282 228 HB3 TRP 96 3HB TRP 96 -6.261 18.924 2.602 229 HD1 TRP 96 HD TRP 96 -4.321 17.192 3.944 230 HE1 TRP 96 1HE TRP 96 -3.560 14.885 3.074 231 HE3 TRP 96 3HE TRP 96 -8.239 16.070 0.867 232 HZ2 TRP 96 2HZ TRP 96 -4.489 12.841 1.314 233 HZ3 TRP 96 3HZ TRP 96 -8.275 13.936 -0.394 234 HH2 TRP 96 HH TRP 96 -6.406 12.322 -0.175 235 H LYS 97 H LYS 97 -5.879 16.913 6.088 236 HA LYS 97 HA LYS 97 -6.875 14.284 5.753 237 HB2 LYS 97 2HB LYS 97 -5.546 15.678 8.080 238 HB3 LYS 97 3HB LYS 97 -5.997 13.975 8.153 239 HG2 LYS 97 2HG LYS 97 -4.652 13.542 6.117 240 HG3 LYS 97 3HG LYS 97 -4.169 15.236 6.083 241 HD2 LYS 97 2HD LYS 97 -3.707 13.599 8.575 242 HD3 LYS 97 3HD LYS 97 -2.588 13.466 7.222 243 HE2 LYS 97 2HE LYS 97 -2.273 15.936 7.271 244 HE3 LYS 97 3HE LYS 97 -3.322 16.019 8.685 245 HZ1 LYS 97 1HZ LYS 97 -1.126 14.118 8.806 246 HZ2 LYS 97 2HZ LYS 97 -1.762 15.125 10.017 247 HZ3 LYS 97 3HZ LYS 97 -0.699 15.759 8.854 248 H ALA 98 H ALA 98 -8.470 16.990 7.027 249 HA ALA 98 HA ALA 98 -10.451 15.254 8.430 250 HB1 ALA 98 1HB ALA 98 -9.233 16.722 10.003 251 HB2 ALA 98 2HB ALA 98 -10.930 17.190 9.878 252 HB3 ALA 98 3HB ALA 98 -9.693 18.122 9.034 253 H TRP 99 H TRP 99 -9.815 17.678 6.065 254 HA TRP 99 HA TRP 99 -12.503 18.674 5.834 255 HB2 TRP 99 2HB TRP 99 -10.363 18.652 3.694 256 HB3 TRP 99 3HB TRP 99 -11.756 19.726 3.789 257 HD1 TRP 99 HD TRP 99 -10.827 19.636 7.218 258 HE1 TRP 99 1HE TRP 99 -9.189 21.513 7.859 259 HE3 TRP 99 3HE TRP 99 -9.217 21.043 2.574 260 HZ2 TRP 99 2HZ TRP 99 -7.433 23.362 6.590 261 HZ3 TRP 99 3HZ TRP 99 -7.558 22.867 2.325 262 HH2 TRP 99 HH TRP 99 -6.664 24.028 4.326 263 H VAL 100 H VAL 100 -11.132 15.688 5.049 264 HA VAL 100 HA VAL 100 -12.232 14.939 2.602 265 HB VAL 100 HB VAL 100 -12.480 12.647 3.672 266 HG11 VAL 100 1HG1 VAL 100 -10.388 13.357 2.605 267 HG12 VAL 100 2HG1 VAL 100 -10.039 12.406 4.049 268 HG13 VAL 100 3HG1 VAL 100 -9.888 14.162 4.094 269 HG21 VAL 100 1HG2 VAL 100 -11.828 12.346 5.953 270 HG22 VAL 100 2HG2 VAL 100 -12.990 13.673 5.956 271 HG23 VAL 100 3HG2 VAL 100 -11.265 14.014 6.080 Start of MODEL 6 1 H THR 68 H THR 68 -1.330 -10.012 -0.127 2 HA THR 68 HA THR 68 0.404 -7.627 -0.562 3 HB THR 68 HB THR 68 1.051 -10.506 -1.233 4 HG1 THR 68 1HG THR 68 0.554 -9.530 1.138 5 HG21 THR 68 1HG2 THR 68 2.411 -8.495 -2.107 6 HG22 THR 68 2HG2 THR 68 3.301 -9.766 -1.268 7 HG23 THR 68 3HG2 THR 68 2.908 -8.265 -0.429 8 H VAL 69 H VAL 69 0.189 -6.593 -2.467 9 HA VAL 69 HA VAL 69 -0.724 -8.112 -4.864 10 HB VAL 69 HB VAL 69 -1.428 -5.840 -5.710 11 HG11 VAL 69 1HG1 VAL 69 -3.424 -5.714 -4.181 12 HG12 VAL 69 2HG1 VAL 69 -2.636 -6.899 -3.139 13 HG13 VAL 69 3HG1 VAL 69 -3.093 -7.339 -4.784 14 HG21 VAL 69 1HG2 VAL 69 -1.632 -4.035 -4.056 15 HG22 VAL 69 2HG2 VAL 69 0.055 -4.528 -4.202 16 HG23 VAL 69 3HG2 VAL 69 -0.905 -5.063 -2.822 17 H LEU 70 H LEU 70 1.952 -8.247 -4.162 18 HA LEU 70 HA LEU 70 4.070 -8.002 -5.100 19 HB2 LEU 70 2HB LEU 70 2.749 -6.516 -7.382 20 HB3 LEU 70 3HB LEU 70 4.267 -7.402 -7.404 21 HG LEU 70 HG LEU 70 1.565 -8.681 -6.887 22 HD11 LEU 70 1HD1 LEU 70 1.547 -7.960 -9.163 23 HD12 LEU 70 2HD1 LEU 70 2.003 -9.664 -9.205 24 HD13 LEU 70 3HD1 LEU 70 3.236 -8.416 -9.393 25 HD21 LEU 70 1HD2 LEU 70 2.974 -10.756 -7.485 26 HD22 LEU 70 2HD2 LEU 70 3.261 -10.034 -5.905 27 HD23 LEU 70 3HD2 LEU 70 4.383 -9.728 -7.230 28 H SER 71 H SER 71 2.045 -5.119 -4.985 29 HA SER 71 HA SER 71 3.830 -3.578 -3.477 30 HB2 SER 71 2HB SER 71 4.501 -1.974 -5.493 31 HB3 SER 71 3HB SER 71 5.485 -3.383 -5.118 32 HG SER 71 HG SER 71 4.201 -2.825 -7.363 33 H VAL 72 H VAL 72 2.214 -2.567 -2.529 34 HA VAL 72 HA VAL 72 -0.258 -1.815 -3.663 35 HB VAL 72 HB VAL 72 -0.489 -0.396 -1.684 36 HG11 VAL 72 1HG1 VAL 72 0.150 -2.106 0.056 37 HG12 VAL 72 2HG1 VAL 72 0.980 -3.002 -1.217 38 HG13 VAL 72 3HG1 VAL 72 -0.768 -2.765 -1.298 39 HG21 VAL 72 1HG2 VAL 72 2.499 -0.825 -1.483 40 HG22 VAL 72 2HG2 VAL 72 1.523 -0.227 -0.141 41 HG23 VAL 72 3HG2 VAL 72 1.647 0.713 -1.628 42 H GLY 73 H GLY 73 2.855 -0.199 -3.654 43 HA2 GLY 73 2HA GLY 73 2.213 2.443 -4.230 44 HA3 GLY 73 3HA GLY 73 3.599 1.620 -4.939 45 H GLY 74 H GLY 74 1.222 -0.246 -6.051 46 HA2 GLY 74 2HA GLY 74 1.264 1.004 -8.670 47 HA3 GLY 74 3HA GLY 74 0.376 -0.456 -8.240 48 H GLN 75 H GLN 75 -1.544 0.106 -6.617 49 HA GLN 75 HA GLN 75 -3.257 1.918 -8.085 50 HB2 GLN 75 2HB GLN 75 -3.606 0.194 -5.640 51 HB3 GLN 75 3HB GLN 75 -4.860 1.341 -6.114 52 HG2 GLN 75 2HG GLN 75 -3.702 -0.621 -8.102 53 HG3 GLN 75 3HG GLN 75 -5.040 -1.072 -7.043 54 HE21 GLN 75 1HE2 GLN 75 -4.154 0.782 -9.873 55 HE22 GLN 75 2HE2 GLN 75 -5.712 1.356 -10.228 56 H VAL 76 H VAL 76 -1.352 2.113 -5.168 57 HA VAL 76 HA VAL 76 -2.645 4.452 -4.083 58 HB VAL 76 HB VAL 76 0.234 3.574 -3.715 59 HG11 VAL 76 1HG1 VAL 76 -0.113 5.780 -2.838 60 HG12 VAL 76 2HG1 VAL 76 -0.167 4.680 -1.460 61 HG13 VAL 76 3HG1 VAL 76 -1.665 5.323 -2.135 62 HG21 VAL 76 1HG2 VAL 76 -0.521 2.211 -1.882 63 HG22 VAL 76 2HG2 VAL 76 -1.525 1.780 -3.266 64 HG23 VAL 76 3HG2 VAL 76 -2.162 2.841 -2.011 65 H ASN 77 H ASN 77 0.471 4.101 -5.838 66 HA ASN 77 HA ASN 77 0.985 6.837 -6.226 67 HB2 ASN 77 2HB ASN 77 2.488 4.884 -6.847 68 HB3 ASN 77 3HB ASN 77 1.521 4.718 -8.315 69 HD21 ASN 77 1HD2 ASN 77 1.761 6.337 -9.958 70 HD22 ASN 77 2HD2 ASN 77 2.946 7.548 -9.885 71 H LEU 78 H LEU 78 -0.989 4.622 -8.202 72 HA LEU 78 HA LEU 78 -1.727 6.484 -10.227 73 HB2 LEU 78 2HB LEU 78 -2.852 3.962 -9.104 74 HB3 LEU 78 3HB LEU 78 -3.982 4.961 -10.006 75 HG LEU 78 HG LEU 78 -2.690 4.820 -11.996 76 HD11 LEU 78 1HD1 LEU 78 -0.443 3.355 -11.760 77 HD12 LEU 78 2HD1 LEU 78 -0.469 4.048 -10.141 78 HD13 LEU 78 3HD1 LEU 78 -0.441 5.102 -11.550 79 HD21 LEU 78 1HD2 LEU 78 -2.433 2.341 -12.295 80 HD22 LEU 78 2HD2 LEU 78 -3.964 2.795 -11.549 81 HD23 LEU 78 3HD2 LEU 78 -2.660 2.143 -10.556 82 H LEU 79 H LEU 79 -2.833 6.067 -6.933 83 HA LEU 79 HA LEU 79 -5.166 7.728 -7.201 84 HB2 LEU 79 2HB LEU 79 -4.356 5.944 -5.345 85 HB3 LEU 79 3HB LEU 79 -3.837 7.415 -4.537 86 HG LEU 79 HG LEU 79 -6.078 6.889 -3.796 87 HD11 LEU 79 1HD1 LEU 79 -5.413 9.299 -4.397 88 HD12 LEU 79 2HD1 LEU 79 -7.130 8.963 -4.192 89 HD13 LEU 79 3HD1 LEU 79 -6.449 9.100 -5.811 90 HD21 LEU 79 1HD2 LEU 79 -7.835 6.238 -5.141 91 HD22 LEU 79 2HD2 LEU 79 -6.516 5.652 -6.149 92 HD23 LEU 79 3HD2 LEU 79 -7.296 7.189 -6.522 93 H ILE 80 H ILE 80 -1.775 8.409 -6.481 94 HA ILE 80 HA ILE 80 -2.378 11.089 -5.500 95 HB ILE 80 HB ILE 80 -0.115 11.306 -5.018 96 HG12 ILE 80 2HG1 ILE 80 1.541 9.599 -6.313 97 HG13 ILE 80 3HG1 ILE 80 0.301 9.733 -7.551 98 HG21 ILE 80 1HG2 ILE 80 0.608 9.163 -4.128 99 HG22 ILE 80 2HG2 ILE 80 -0.480 8.310 -5.221 100 HG23 ILE 80 3HG2 ILE 80 -1.138 9.315 -3.933 101 HD11 ILE 80 1HD1 ILE 80 1.614 11.519 -8.169 102 HD12 ILE 80 2HD1 ILE 80 2.195 11.793 -6.528 103 HD13 ILE 80 3HD1 ILE 80 0.593 12.354 -6.999 104 H GLN 81 H GLN 81 -1.634 9.654 -8.593 105 HA GLN 81 HA GLN 81 -1.233 12.351 -9.806 106 HB2 GLN 81 2HB GLN 81 -0.630 11.155 -11.824 107 HB3 GLN 81 3HB GLN 81 0.233 10.435 -10.465 108 HG2 GLN 81 2HG GLN 81 -1.959 8.870 -10.401 109 HG3 GLN 81 3HG GLN 81 -2.008 9.305 -12.109 110 HE21 GLN 81 1HE2 GLN 81 0.096 7.857 -9.605 111 HE22 GLN 81 2HE2 GLN 81 1.049 6.967 -10.696 112 H GLN 82 H GLN 82 -3.729 10.163 -9.112 113 HA GLN 82 HA GLN 82 -5.411 11.016 -11.420 114 HB2 GLN 82 2HB GLN 82 -5.748 8.988 -9.208 115 HB3 GLN 82 3HB GLN 82 -7.094 9.449 -10.250 116 HG2 GLN 82 2HG GLN 82 -6.031 8.636 -12.189 117 HG3 GLN 82 3HG GLN 82 -4.453 8.563 -11.406 118 HE21 GLN 82 1HE2 GLN 82 -6.777 7.470 -9.204 119 HE22 GLN 82 2HE2 GLN 82 -6.631 5.804 -9.487 120 H ALA 83 H ALA 83 -6.004 10.699 -7.917 121 HA ALA 83 HA ALA 83 -8.246 12.262 -7.698 122 HB1 ALA 83 1HB ALA 83 -7.321 12.916 -5.379 123 HB2 ALA 83 2HB ALA 83 -5.903 11.965 -5.825 124 HB3 ALA 83 3HB ALA 83 -7.487 11.197 -5.733 125 H ILE 84 H ILE 84 -5.151 13.410 -8.655 126 HA ILE 84 HA ILE 84 -6.147 16.238 -8.455 127 HB ILE 84 HB ILE 84 -3.520 16.695 -8.306 128 HG12 ILE 84 2HG1 ILE 84 -3.083 14.192 -8.501 129 HG13 ILE 84 3HG1 ILE 84 -2.267 15.016 -7.182 130 HG21 ILE 84 1HG2 ILE 84 -5.381 15.934 -6.063 131 HG22 ILE 84 2HG2 ILE 84 -4.903 17.545 -6.599 132 HG23 ILE 84 3HG2 ILE 84 -3.745 16.517 -5.754 133 HD11 ILE 84 1HD1 ILE 84 -4.028 12.760 -7.042 134 HD12 ILE 84 2HD1 ILE 84 -4.800 14.077 -6.175 135 HD13 ILE 84 3HD1 ILE 84 -3.181 13.559 -5.725 136 H ASP 85 H ASP 85 -6.289 14.294 -10.668 137 HA ASP 85 HA ASP 85 -5.949 14.308 -12.982 138 HB2 ASP 85 2HB ASP 85 -4.725 17.053 -12.734 139 HB3 ASP 85 3HB ASP 85 -5.771 16.418 -14.004 140 HA PRO 86 HA PRO 86 -1.669 13.123 -13.346 141 HB2 PRO 86 2HB PRO 86 -1.376 12.893 -16.041 142 HB3 PRO 86 3HB PRO 86 -2.380 11.771 -15.099 143 HG2 PRO 86 2HG PRO 86 -3.217 14.138 -16.724 144 HG3 PRO 86 3HG PRO 86 -3.936 12.519 -16.646 145 HD2 PRO 86 2HD PRO 86 -4.959 14.650 -15.266 146 HD3 PRO 86 3HD PRO 86 -5.086 12.977 -14.678 147 H LYS 87 H LYS 87 -2.759 16.008 -15.037 148 HA LYS 87 HA LYS 87 -0.385 17.014 -16.109 149 HB2 LYS 87 2HB LYS 87 -1.339 19.315 -15.351 150 HB3 LYS 87 3HB LYS 87 -2.298 18.343 -16.465 151 HG2 LYS 87 2HG LYS 87 -3.804 17.668 -14.796 152 HG3 LYS 87 3HG LYS 87 -2.690 18.058 -13.487 153 HD2 LYS 87 2HD LYS 87 -3.669 20.264 -15.298 154 HD3 LYS 87 3HD LYS 87 -4.720 19.671 -14.015 155 HE2 LYS 87 2HE LYS 87 -2.881 20.095 -12.370 156 HE3 LYS 87 3HE LYS 87 -1.926 20.805 -13.670 157 HZ1 LYS 87 1HZ LYS 87 -3.288 22.608 -13.817 158 HZ2 LYS 87 2HZ LYS 87 -3.445 22.275 -12.159 159 HZ3 LYS 87 3HZ LYS 87 -4.655 21.782 -13.245 160 H ASN 88 H ASN 88 -1.224 16.561 -12.760 161 HA ASN 88 HA ASN 88 0.753 18.365 -11.669 162 HB2 ASN 88 2HB ASN 88 0.196 17.465 -9.560 163 HB3 ASN 88 3HB ASN 88 -1.295 17.304 -10.482 164 HD21 ASN 88 1HD2 ASN 88 -1.063 15.007 -11.912 165 HD22 ASN 88 2HD2 ASN 88 -0.709 13.677 -10.921 166 H LEU 89 H LEU 89 0.728 14.841 -12.242 167 HA LEU 89 HA LEU 89 3.410 14.398 -11.337 168 HB2 LEU 89 2HB LEU 89 1.532 12.672 -11.835 169 HB3 LEU 89 3HB LEU 89 2.064 12.784 -13.510 170 HG LEU 89 HG LEU 89 4.468 12.366 -12.474 171 HD11 LEU 89 1HD1 LEU 89 2.608 11.227 -10.362 172 HD12 LEU 89 2HD1 LEU 89 3.833 12.473 -10.122 173 HD13 LEU 89 3HD1 LEU 89 4.318 10.823 -10.506 174 HD21 LEU 89 1HD2 LEU 89 4.009 9.863 -12.601 175 HD22 LEU 89 2HD2 LEU 89 3.509 10.794 -14.013 176 HD23 LEU 89 3HD2 LEU 89 2.308 10.272 -12.831 177 H SER 90 H SER 90 2.095 15.687 -14.283 178 HA SER 90 HA SER 90 4.499 15.242 -15.860 179 HB2 SER 90 2HB SER 90 2.104 17.032 -16.341 180 HB3 SER 90 3HB SER 90 3.377 16.715 -17.515 181 HG SER 90 HG SER 90 2.805 14.403 -17.058 182 H ARG 91 H ARG 91 2.980 18.075 -14.293 183 HA ARG 91 HA ARG 91 5.207 19.817 -14.982 184 HB2 ARG 91 2HB ARG 91 2.825 20.083 -13.135 185 HB3 ARG 91 3HB ARG 91 4.067 21.333 -13.231 186 HG2 ARG 91 2HG ARG 91 3.688 21.510 -15.673 187 HG3 ARG 91 3HG ARG 91 2.423 20.288 -15.556 188 HD2 ARG 91 2HD ARG 91 0.993 21.704 -14.329 189 HD3 ARG 91 3HD ARG 91 2.310 22.780 -13.857 190 HE ARG 91 HE ARG 91 2.109 23.883 -15.948 191 HH11 ARG 91 1HH1 ARG 91 1.024 24.274 -17.891 192 HH12 ARG 91 2HH1 ARG 91 -0.117 23.110 -18.479 193 HH21 ARG 91 1HH2 ARG 91 0.323 20.934 -15.817 194 HH22 ARG 91 2HH2 ARG 91 -0.513 21.222 -17.305 195 H LEU 92 H LEU 92 4.093 18.372 -11.880 196 HA LEU 92 HA LEU 92 6.105 19.281 -10.185 197 HB2 LEU 92 2HB LEU 92 4.920 16.491 -10.305 198 HB3 LEU 92 3HB LEU 92 5.854 17.114 -8.949 199 HG LEU 92 HG LEU 92 3.399 18.553 -9.980 200 HD11 LEU 92 1HD1 LEU 92 3.522 16.420 -7.826 201 HD12 LEU 92 2HD1 LEU 92 2.730 16.256 -9.392 202 HD13 LEU 92 3HD1 LEU 92 2.112 17.407 -8.208 203 HD21 LEU 92 1HD2 LEU 92 5.018 18.602 -7.418 204 HD22 LEU 92 2HD2 LEU 92 3.389 19.265 -7.501 205 HD23 LEU 92 3HD2 LEU 92 4.664 19.940 -8.509 206 H PHE 93 H PHE 93 6.407 17.226 -12.903 207 HA PHE 93 HA PHE 93 9.229 16.518 -12.182 208 HB2 PHE 93 2HB PHE 93 7.177 15.242 -13.994 209 HB3 PHE 93 3HB PHE 93 8.897 14.898 -14.179 210 HD1 PHE 93 1HD PHE 93 9.906 13.241 -12.846 211 HD2 PHE 93 2HD PHE 93 6.184 14.985 -11.595 212 HE1 PHE 93 1HE PHE 93 9.779 11.624 -10.972 213 HE2 PHE 93 2HE PHE 93 6.057 13.365 -9.720 214 HZ PHE 93 HZ PHE 93 7.854 11.685 -9.408 215 HA PRO 94 HA PRO 94 9.695 20.156 -15.046 216 HB2 PRO 94 2HB PRO 94 12.501 19.181 -14.554 217 HB3 PRO 94 3HB PRO 94 11.896 20.849 -14.670 218 HG2 PRO 94 2HG PRO 94 12.371 19.777 -12.304 219 HG3 PRO 94 3HG PRO 94 10.933 20.783 -12.559 220 HD2 PRO 94 2HD PRO 94 11.121 17.817 -12.250 221 HD3 PRO 94 3HD PRO 94 9.792 18.911 -11.802 222 H GLY 95 H GLY 95 10.459 16.834 -15.405 223 HA2 GLY 95 2HA GLY 95 11.871 16.764 -17.845 224 HA3 GLY 95 3HA GLY 95 10.772 15.502 -17.300 225 H TRP 96 H TRP 96 8.567 17.751 -17.302 226 HA TRP 96 HA TRP 96 7.540 17.058 -19.892 227 HB2 TRP 96 2HB TRP 96 5.725 18.549 -19.424 228 HB3 TRP 96 3HB TRP 96 6.159 17.775 -17.902 229 HD1 TRP 96 HD TRP 96 8.102 19.293 -16.470 230 HE1 TRP 96 1HE TRP 96 8.019 21.826 -15.990 231 HE3 TRP 96 3HE TRP 96 4.880 20.772 -20.135 232 HZ2 TRP 96 2HZ TRP 96 6.754 24.163 -17.024 233 HZ3 TRP 96 3HZ TRP 96 4.251 23.158 -20.368 234 HH2 TRP 96 HH TRP 96 5.183 24.855 -18.818 235 H LYS 97 H LYS 97 9.729 19.528 -18.874 236 HA LYS 97 HA LYS 97 9.236 21.447 -20.926 237 HB2 LYS 97 2HB LYS 97 11.352 22.382 -20.355 238 HB3 LYS 97 3HB LYS 97 10.681 21.741 -18.864 239 HG2 LYS 97 2HG LYS 97 12.040 19.646 -19.238 240 HG3 LYS 97 3HG LYS 97 12.809 20.455 -20.601 241 HD2 LYS 97 2HD LYS 97 14.327 20.954 -18.909 242 HD3 LYS 97 3HD LYS 97 13.279 22.368 -18.829 243 HE2 LYS 97 2HE LYS 97 11.983 21.277 -17.008 244 HE3 LYS 97 3HE LYS 97 13.078 19.897 -17.077 245 HZ1 LYS 97 1HZ LYS 97 14.588 20.986 -15.896 246 HZ2 LYS 97 2HZ LYS 97 13.406 22.165 -15.583 247 HZ3 LYS 97 3HZ LYS 97 14.487 22.366 -16.878 248 H ALA 98 H ALA 98 10.404 18.295 -21.109 249 HA ALA 98 HA ALA 98 11.684 18.791 -23.761 250 HB1 ALA 98 1HB ALA 98 12.074 16.431 -21.910 251 HB2 ALA 98 2HB ALA 98 13.162 17.819 -21.978 252 HB3 ALA 98 3HB ALA 98 12.975 16.774 -23.388 253 H TRP 99 H TRP 99 9.177 17.190 -22.019 254 HA TRP 99 HA TRP 99 8.648 15.135 -23.946 255 HB2 TRP 99 2HB TRP 99 6.701 16.383 -21.994 256 HB3 TRP 99 3HB TRP 99 6.549 14.809 -22.768 257 HD1 TRP 99 HD TRP 99 10.057 14.899 -22.049 258 HE1 TRP 99 1HE TRP 99 10.623 13.827 -19.787 259 HE3 TRP 99 3HE TRP 99 5.407 14.782 -19.927 260 HZ2 TRP 99 2HZ TRP 99 9.301 13.016 -17.396 261 HZ3 TRP 99 3HZ TRP 99 5.095 13.850 -17.651 262 HH2 TRP 99 HH TRP 99 7.034 12.966 -16.384 263 H VAL 100 H VAL 100 8.095 18.505 -23.934 264 HA VAL 100 HA VAL 100 5.701 18.774 -25.386 265 HB VAL 100 HB VAL 100 6.843 20.864 -26.324 266 HG11 VAL 100 1HG1 VAL 100 5.479 20.885 -24.272 267 HG12 VAL 100 2HG1 VAL 100 6.860 21.971 -24.115 268 HG13 VAL 100 3HG1 VAL 100 6.886 20.392 -23.330 269 HG21 VAL 100 1HG2 VAL 100 9.152 19.760 -26.097 270 HG22 VAL 100 2HG2 VAL 100 9.025 20.111 -24.373 271 HG23 VAL 100 3HG2 VAL 100 9.021 21.429 -25.545 Start of MODEL 7 1 H THR 68 H THR 68 2.969 -10.752 -8.792 2 HA THR 68 HA THR 68 2.191 -8.274 -7.569 3 HB THR 68 HB THR 68 0.324 -10.134 -9.053 4 HG1 THR 68 1HG THR 68 1.631 -8.237 -10.516 5 HG21 THR 68 1HG2 THR 68 -0.776 -8.100 -9.701 6 HG22 THR 68 2HG2 THR 68 0.544 -7.116 -9.067 7 HG23 THR 68 3HG2 THR 68 -0.505 -8.003 -7.960 8 H VAL 69 H VAL 69 1.269 -8.007 -5.610 9 HA VAL 69 HA VAL 69 -0.903 -9.621 -4.658 10 HB VAL 69 HB VAL 69 0.879 -11.262 -4.254 11 HG11 VAL 69 1HG1 VAL 69 2.845 -10.795 -3.047 12 HG12 VAL 69 2HG1 VAL 69 2.187 -9.315 -2.355 13 HG13 VAL 69 3HG1 VAL 69 2.650 -9.363 -4.056 14 HG21 VAL 69 1HG2 VAL 69 0.356 -11.738 -1.996 15 HG22 VAL 69 2HG2 VAL 69 -1.023 -10.790 -2.554 16 HG23 VAL 69 3HG2 VAL 69 0.230 -10.030 -1.573 17 H LEU 70 H LEU 70 -2.059 -8.147 -3.511 18 HA LEU 70 HA LEU 70 -2.525 -6.200 -2.272 19 HB2 LEU 70 2HB LEU 70 -0.013 -7.090 -0.834 20 HB3 LEU 70 3HB LEU 70 -1.240 -6.001 -0.191 21 HG LEU 70 HG LEU 70 -1.739 -8.875 -1.028 22 HD11 LEU 70 1HD1 LEU 70 -2.031 -9.190 1.470 23 HD12 LEU 70 2HD1 LEU 70 -1.330 -7.587 1.683 24 HD13 LEU 70 3HD1 LEU 70 -0.373 -8.877 0.954 25 HD21 LEU 70 1HD2 LEU 70 -3.821 -7.820 -1.236 26 HD22 LEU 70 2HD2 LEU 70 -3.479 -6.655 0.044 27 HD23 LEU 70 3HD2 LEU 70 -3.863 -8.328 0.450 28 H SER 71 H SER 71 -0.166 -6.243 -4.444 29 HA SER 71 HA SER 71 1.744 -4.294 -3.939 30 HB2 SER 71 2HB SER 71 1.829 -3.869 -6.289 31 HB3 SER 71 3HB SER 71 1.319 -5.548 -6.136 32 HG SER 71 HG SER 71 -0.285 -3.259 -6.626 33 H VAL 72 H VAL 72 1.508 -2.449 -2.962 34 HA VAL 72 HA VAL 72 -1.011 -0.921 -3.192 35 HB VAL 72 HB VAL 72 -0.152 0.272 -1.254 36 HG11 VAL 72 1HG1 VAL 72 -1.123 -2.120 -1.108 37 HG12 VAL 72 2HG1 VAL 72 -0.224 -1.531 0.289 38 HG13 VAL 72 3HG1 VAL 72 0.544 -2.638 -0.849 39 HG21 VAL 72 1HG2 VAL 72 2.173 0.527 -1.651 40 HG22 VAL 72 2HG2 VAL 72 2.392 -1.200 -1.958 41 HG23 VAL 72 3HG2 VAL 72 2.103 -0.621 -0.317 42 H GLY 73 H GLY 73 2.516 -0.265 -3.530 43 HA2 GLY 73 2HA GLY 73 2.361 2.397 -4.352 44 HA3 GLY 73 3HA GLY 73 3.584 1.275 -4.953 45 H GLY 74 H GLY 74 1.035 -0.324 -5.926 46 HA2 GLY 74 2HA GLY 74 1.152 0.781 -8.631 47 HA3 GLY 74 3HA GLY 74 0.253 -0.650 -8.136 48 H GLN 75 H GLN 75 -1.654 0.043 -6.489 49 HA GLN 75 HA GLN 75 -3.366 1.756 -8.068 50 HB2 GLN 75 2HB GLN 75 -3.701 0.339 -5.420 51 HB3 GLN 75 3HB GLN 75 -4.953 1.396 -6.074 52 HG2 GLN 75 2HG GLN 75 -5.432 -0.892 -6.755 53 HG3 GLN 75 3HG GLN 75 -4.940 0.029 -8.177 54 HE21 GLN 75 1HE2 GLN 75 -2.865 -1.356 -5.588 55 HE22 GLN 75 2HE2 GLN 75 -1.971 -2.356 -6.628 56 H VAL 76 H VAL 76 -1.452 2.098 -5.154 57 HA VAL 76 HA VAL 76 -2.592 4.601 -4.315 58 HB VAL 76 HB VAL 76 0.229 3.576 -3.853 59 HG11 VAL 76 1HG1 VAL 76 0.004 4.986 -1.778 60 HG12 VAL 76 2HG1 VAL 76 -1.517 5.603 -2.423 61 HG13 VAL 76 3HG1 VAL 76 -0.006 5.921 -3.273 62 HG21 VAL 76 1HG2 VAL 76 -1.711 2.013 -3.197 63 HG22 VAL 76 2HG2 VAL 76 -2.168 3.256 -2.029 64 HG23 VAL 76 3HG2 VAL 76 -0.597 2.468 -1.903 65 H ASN 77 H ASN 77 0.522 3.931 -6.001 66 HA ASN 77 HA ASN 77 1.147 6.584 -6.673 67 HB2 ASN 77 2HB ASN 77 2.639 4.653 -7.135 68 HB3 ASN 77 3HB ASN 77 1.555 4.150 -8.435 69 HD21 ASN 77 1HD2 ASN 77 1.221 5.819 -10.232 70 HD22 ASN 77 2HD2 ASN 77 2.519 6.844 -10.613 71 H LEU 78 H LEU 78 -1.236 4.431 -8.103 72 HA LEU 78 HA LEU 78 -1.724 6.179 -10.389 73 HB2 LEU 78 2HB LEU 78 -2.144 3.757 -10.524 74 HB3 LEU 78 3HB LEU 78 -3.338 3.882 -9.237 75 HG LEU 78 HG LEU 78 -4.725 5.352 -10.656 76 HD11 LEU 78 1HD1 LEU 78 -3.264 6.507 -12.085 77 HD12 LEU 78 2HD1 LEU 78 -3.998 5.337 -13.175 78 HD13 LEU 78 3HD1 LEU 78 -2.382 5.046 -12.530 79 HD21 LEU 78 1HD2 LEU 78 -3.970 2.920 -12.280 80 HD22 LEU 78 2HD2 LEU 78 -5.568 3.630 -12.047 81 HD23 LEU 78 3HD2 LEU 78 -4.785 2.765 -10.722 82 H LEU 79 H LEU 79 -3.033 5.817 -7.138 83 HA LEU 79 HA LEU 79 -5.386 7.412 -7.638 84 HB2 LEU 79 2HB LEU 79 -4.103 6.118 -5.305 85 HB3 LEU 79 3HB LEU 79 -4.934 7.614 -4.895 86 HG LEU 79 HG LEU 79 -6.972 6.712 -6.101 87 HD11 LEU 79 1HD1 LEU 79 -5.494 4.972 -7.352 88 HD12 LEU 79 2HD1 LEU 79 -7.084 4.464 -6.788 89 HD13 LEU 79 3HD1 LEU 79 -5.642 4.011 -5.879 90 HD21 LEU 79 1HD2 LEU 79 -6.950 6.621 -3.707 91 HD22 LEU 79 2HD2 LEU 79 -5.824 5.262 -3.703 92 HD23 LEU 79 3HD2 LEU 79 -7.483 5.032 -4.256 93 H ILE 80 H ILE 80 -2.085 8.158 -6.544 94 HA ILE 80 HA ILE 80 -2.781 10.921 -5.960 95 HB ILE 80 HB ILE 80 -0.970 10.430 -4.630 96 HG12 ILE 80 2HG1 ILE 80 1.144 11.267 -5.491 97 HG13 ILE 80 3HG1 ILE 80 0.613 11.049 -7.149 98 HG21 ILE 80 1HG2 ILE 80 0.920 8.897 -5.504 99 HG22 ILE 80 2HG2 ILE 80 -0.192 8.518 -6.819 100 HG23 ILE 80 3HG2 ILE 80 -0.645 8.175 -5.149 101 HD11 ILE 80 1HD1 ILE 80 -0.270 13.117 -7.150 102 HD12 ILE 80 2HD1 ILE 80 0.304 13.345 -5.501 103 HD13 ILE 80 3HD1 ILE 80 -1.313 12.709 -5.785 104 H GLN 81 H GLN 81 -1.135 9.228 -8.644 105 HA GLN 81 HA GLN 81 -0.527 11.635 -10.087 106 HB2 GLN 81 2HB GLN 81 -0.612 8.711 -10.700 107 HB3 GLN 81 3HB GLN 81 -0.633 9.811 -12.076 108 HG2 GLN 81 2HG GLN 81 1.679 9.048 -11.272 109 HG3 GLN 81 3HG GLN 81 1.453 10.783 -11.469 110 HE21 GLN 81 1HE2 GLN 81 1.086 8.286 -8.872 111 HE22 GLN 81 2HE2 GLN 81 1.667 9.289 -7.633 112 H GLN 82 H GLN 82 -3.471 9.693 -9.892 113 HA GLN 82 HA GLN 82 -4.670 11.208 -12.144 114 HB2 GLN 82 2HB GLN 82 -6.526 9.725 -11.975 115 HB3 GLN 82 3HB GLN 82 -5.100 8.725 -11.717 116 HG2 GLN 82 2HG GLN 82 -6.446 8.020 -9.947 117 HG3 GLN 82 3HG GLN 82 -5.517 9.298 -9.166 118 HE21 GLN 82 1HE2 GLN 82 -6.872 10.553 -7.906 119 HE22 GLN 82 2HE2 GLN 82 -8.453 11.014 -8.314 120 H ALA 83 H ALA 83 -4.624 11.176 -8.658 121 HA ALA 83 HA ALA 83 -6.943 12.886 -8.312 122 HB1 ALA 83 1HB ALA 83 -6.059 13.141 -5.966 123 HB2 ALA 83 2HB ALA 83 -4.688 12.142 -6.438 124 HB3 ALA 83 3HB ALA 83 -6.315 11.466 -6.452 125 H ILE 84 H ILE 84 -3.786 13.487 -9.409 126 HA ILE 84 HA ILE 84 -2.814 15.761 -8.290 127 HB ILE 84 HB ILE 84 -3.234 15.430 -11.269 128 HG12 ILE 84 2HG1 ILE 84 -2.057 13.529 -9.903 129 HG13 ILE 84 3HG1 ILE 84 -1.289 14.121 -11.365 130 HG21 ILE 84 1HG2 ILE 84 -1.351 17.114 -9.619 131 HG22 ILE 84 2HG2 ILE 84 -2.550 17.661 -10.787 132 HG23 ILE 84 3HG2 ILE 84 -1.112 16.804 -11.337 133 HD11 ILE 84 1HD1 ILE 84 0.292 15.417 -10.128 134 HD12 ILE 84 2HD1 ILE 84 0.236 13.846 -9.333 135 HD13 ILE 84 3HD1 ILE 84 -0.607 15.220 -8.625 136 H ASP 85 H ASP 85 -5.331 15.907 -10.821 137 HA ASP 85 HA ASP 85 -6.821 17.913 -9.404 138 HB2 ASP 85 2HB ASP 85 -6.397 19.734 -11.169 139 HB3 ASP 85 3HB ASP 85 -5.127 19.473 -9.974 140 HA PRO 86 HA PRO 86 -9.454 16.056 -12.570 141 HB2 PRO 86 2HB PRO 86 -11.856 17.047 -11.801 142 HB3 PRO 86 3HB PRO 86 -11.006 15.810 -10.850 143 HG2 PRO 86 2HG PRO 86 -11.147 18.764 -10.408 144 HG3 PRO 86 3HG PRO 86 -11.284 17.444 -9.231 145 HD2 PRO 86 2HD PRO 86 -8.959 18.869 -9.634 146 HD3 PRO 86 3HD PRO 86 -8.988 17.187 -9.053 147 H LYS 87 H LYS 87 -8.396 19.148 -12.554 148 HA LYS 87 HA LYS 87 -10.206 20.704 -14.013 149 HB2 LYS 87 2HB LYS 87 -8.235 21.864 -14.960 150 HB3 LYS 87 3HB LYS 87 -8.040 21.572 -13.232 151 HG2 LYS 87 2HG LYS 87 -6.734 19.509 -13.773 152 HG3 LYS 87 3HG LYS 87 -6.845 19.929 -15.483 153 HD2 LYS 87 2HD LYS 87 -5.823 22.200 -14.811 154 HD3 LYS 87 3HD LYS 87 -5.410 21.423 -13.282 155 HE2 LYS 87 2HE LYS 87 -4.341 19.568 -14.739 156 HE3 LYS 87 3HE LYS 87 -4.439 20.739 -16.055 157 HZ1 LYS 87 1HZ LYS 87 -2.789 20.777 -13.651 158 HZ2 LYS 87 2HZ LYS 87 -3.376 22.270 -14.210 159 HZ3 LYS 87 3HZ LYS 87 -2.425 21.295 -15.224 160 H ASN 88 H ASN 88 -8.140 18.072 -15.141 161 HA ASN 88 HA ASN 88 -8.766 18.511 -17.950 162 HB2 ASN 88 2HB ASN 88 -7.547 16.511 -18.377 163 HB3 ASN 88 3HB ASN 88 -6.720 17.268 -17.020 164 HD21 ASN 88 1HD2 ASN 88 -7.439 16.414 -14.771 165 HD22 ASN 88 2HD2 ASN 88 -7.843 14.769 -14.657 166 H LEU 89 H LEU 89 -9.892 16.252 -15.445 167 HA LEU 89 HA LEU 89 -11.738 14.812 -17.050 168 HB2 LEU 89 2HB LEU 89 -11.101 14.042 -14.826 169 HB3 LEU 89 3HB LEU 89 -11.801 15.481 -14.091 170 HG LEU 89 HG LEU 89 -14.038 14.808 -14.769 171 HD11 LEU 89 1HD1 LEU 89 -14.203 12.411 -15.812 172 HD12 LEU 89 2HD1 LEU 89 -12.535 12.694 -16.309 173 HD13 LEU 89 3HD1 LEU 89 -13.817 13.768 -16.867 174 HD21 LEU 89 1HD2 LEU 89 -13.376 13.860 -12.678 175 HD22 LEU 89 2HD2 LEU 89 -12.378 12.638 -13.467 176 HD23 LEU 89 3HD2 LEU 89 -14.135 12.547 -13.579 177 H SER 90 H SER 90 -12.149 17.798 -15.162 178 HA SER 90 HA SER 90 -14.956 18.042 -15.807 179 HB2 SER 90 2HB SER 90 -13.125 20.261 -14.888 180 HB3 SER 90 3HB SER 90 -14.868 20.136 -14.665 181 HG SER 90 HG SER 90 -14.505 18.990 -12.951 182 H ARG 91 H ARG 91 -11.997 18.926 -17.409 183 HA ARG 91 HA ARG 91 -13.180 21.022 -19.046 184 HB2 ARG 91 2HB ARG 91 -10.735 20.863 -18.546 185 HB3 ARG 91 3HB ARG 91 -10.663 19.395 -19.520 186 HG2 ARG 91 2HG ARG 91 -11.524 20.714 -21.471 187 HG3 ARG 91 3HG ARG 91 -11.429 22.169 -20.478 188 HD2 ARG 91 2HD ARG 91 -9.063 20.346 -20.926 189 HD3 ARG 91 3HD ARG 91 -9.412 21.722 -21.974 190 HE ARG 91 HE ARG 91 -8.303 21.861 -19.289 191 HH11 ARG 91 1HH1 ARG 91 -7.889 23.938 -18.501 192 HH12 ARG 91 2HH1 ARG 91 -8.609 25.306 -19.284 193 HH21 ARG 91 1HH2 ARG 91 -10.259 23.407 -21.672 194 HH22 ARG 91 2HH2 ARG 91 -9.951 25.005 -21.078 195 H LEU 92 H LEU 92 -12.850 17.517 -19.291 196 HA LEU 92 HA LEU 92 -13.176 17.057 -22.028 197 HB2 LEU 92 2HB LEU 92 -14.808 15.600 -19.933 198 HB3 LEU 92 3HB LEU 92 -14.229 14.973 -21.475 199 HG LEU 92 HG LEU 92 -12.563 15.699 -19.054 200 HD11 LEU 92 1HD1 LEU 92 -12.715 13.086 -20.568 201 HD12 LEU 92 2HD1 LEU 92 -13.797 13.452 -19.223 202 HD13 LEU 92 3HD1 LEU 92 -12.055 13.373 -18.958 203 HD21 LEU 92 1HD2 LEU 92 -11.236 16.424 -20.882 204 HD22 LEU 92 2HD2 LEU 92 -11.783 15.103 -21.913 205 HD23 LEU 92 3HD2 LEU 92 -10.678 14.779 -20.577 206 H PHE 93 H PHE 93 -15.267 18.699 -19.905 207 HA PHE 93 HA PHE 93 -17.430 18.786 -21.981 208 HB2 PHE 93 2HB PHE 93 -17.872 19.176 -19.016 209 HB3 PHE 93 3HB PHE 93 -19.072 18.867 -20.271 210 HD1 PHE 93 1HD PHE 93 -18.513 16.640 -21.714 211 HD2 PHE 93 2HD PHE 93 -17.330 17.356 -17.646 212 HE1 PHE 93 1HE PHE 93 -18.294 14.198 -21.348 213 HE2 PHE 93 2HE PHE 93 -17.111 14.913 -17.280 214 HZ PHE 93 HZ PHE 93 -17.593 13.334 -19.131 215 HA PRO 94 HA PRO 94 -15.276 22.950 -21.709 216 HB2 PRO 94 2HB PRO 94 -17.322 23.156 -23.910 217 HB3 PRO 94 3HB PRO 94 -15.695 23.868 -23.822 218 HG2 PRO 94 2HG PRO 94 -16.095 21.672 -25.229 219 HG3 PRO 94 3HG PRO 94 -14.643 21.836 -24.224 220 HD2 PRO 94 2HD PRO 94 -17.062 20.147 -23.767 221 HD3 PRO 94 3HD PRO 94 -15.386 19.872 -23.236 222 H GLY 95 H GLY 95 -18.550 21.929 -21.334 223 HA2 GLY 95 2HA GLY 95 -19.824 24.435 -20.888 224 HA3 GLY 95 3HA GLY 95 -20.373 22.892 -20.241 225 H TRP 96 H TRP 96 -17.304 23.044 -19.093 226 HA TRP 96 HA TRP 96 -18.195 23.733 -16.436 227 HB2 TRP 96 2HB TRP 96 -15.897 23.449 -15.754 228 HB3 TRP 96 3HB TRP 96 -16.261 22.205 -16.947 229 HD1 TRP 96 HD TRP 96 -15.313 22.588 -19.435 230 HE1 TRP 96 1HE TRP 96 -13.248 23.885 -20.275 231 HE3 TRP 96 3HE TRP 96 -14.370 25.482 -15.339 232 HZ2 TRP 96 2HZ TRP 96 -11.442 25.882 -19.333 233 HZ3 TRP 96 3HZ TRP 96 -12.471 27.075 -15.337 234 HH2 TRP 96 HH TRP 96 -11.005 27.279 -17.326 235 H LYS 97 H LYS 97 -17.359 25.641 -19.086 236 HA LYS 97 HA LYS 97 -16.024 27.829 -17.860 237 HB2 LYS 97 2HB LYS 97 -16.952 29.151 -19.765 238 HB3 LYS 97 3HB LYS 97 -16.169 27.657 -20.269 239 HG2 LYS 97 2HG LYS 97 -18.386 26.544 -20.361 240 HG3 LYS 97 3HG LYS 97 -19.149 28.064 -19.901 241 HD2 LYS 97 2HD LYS 97 -19.349 28.153 -22.227 242 HD3 LYS 97 3HD LYS 97 -17.841 29.031 -21.984 243 HE2 LYS 97 2HE LYS 97 -16.558 26.978 -22.455 244 HE3 LYS 97 3HE LYS 97 -18.061 26.077 -22.658 245 HZ1 LYS 97 1HZ LYS 97 -17.351 28.465 -24.269 246 HZ2 LYS 97 2HZ LYS 97 -18.629 27.377 -24.537 247 HZ3 LYS 97 3HZ LYS 97 -17.022 26.875 -24.761 248 H ALA 98 H ALA 98 -19.190 26.693 -17.424 249 HA ALA 98 HA ALA 98 -20.042 29.287 -16.216 250 HB1 ALA 98 1HB ALA 98 -21.368 28.630 -18.226 251 HB2 ALA 98 2HB ALA 98 -22.340 28.670 -16.755 252 HB3 ALA 98 3HB ALA 98 -21.793 27.126 -17.408 253 H TRP 99 H TRP 99 -19.556 25.894 -15.819 254 HA TRP 99 HA TRP 99 -21.232 25.568 -13.506 255 HB2 TRP 99 2HB TRP 99 -18.775 23.944 -14.183 256 HB3 TRP 99 3HB TRP 99 -20.151 23.442 -13.207 257 HD1 TRP 99 HD TRP 99 -21.904 25.140 -15.763 258 HE1 TRP 99 1HE TRP 99 -22.564 23.611 -17.722 259 HE3 TRP 99 3HE TRP 99 -18.791 21.180 -14.892 260 HZ2 TRP 99 2HZ TRP 99 -21.879 21.057 -18.783 261 HZ3 TRP 99 3HZ TRP 99 -18.821 19.210 -16.394 262 HH2 TRP 99 HH TRP 99 -20.360 19.142 -18.337 263 H VAL 100 H VAL 100 -18.246 27.111 -14.011 264 HA VAL 100 HA VAL 100 -16.924 26.674 -11.547 265 HB VAL 100 HB VAL 100 -15.969 29.025 -12.044 266 HG11 VAL 100 1HG1 VAL 100 -15.827 26.695 -13.962 267 HG12 VAL 100 2HG1 VAL 100 -14.679 27.133 -12.697 268 HG13 VAL 100 3HG1 VAL 100 -14.809 28.123 -14.151 269 HG21 VAL 100 1HG2 VAL 100 -16.533 30.048 -14.109 270 HG22 VAL 100 2HG2 VAL 100 -18.088 29.587 -13.416 271 HG23 VAL 100 3HG2 VAL 100 -17.364 28.607 -14.693 Start of MODEL 8 1 H THR 68 H THR 68 8.201 -5.924 -2.259 2 HA THR 68 HA THR 68 6.220 -7.600 -1.355 3 HB THR 68 HB THR 68 5.778 -4.898 -2.656 4 HG1 THR 68 1HG THR 68 5.887 -5.343 0.092 5 HG21 THR 68 1HG2 THR 68 4.082 -6.579 -0.799 6 HG22 THR 68 2HG2 THR 68 3.654 -5.992 -2.406 7 HG23 THR 68 3HG2 THR 68 3.808 -4.857 -1.064 8 H VAL 69 H VAL 69 4.150 -8.312 -2.204 9 HA VAL 69 HA VAL 69 4.330 -9.270 -4.932 10 HB VAL 69 HB VAL 69 2.149 -10.325 -4.472 11 HG11 VAL 69 1HG1 VAL 69 4.368 -11.241 -3.583 12 HG12 VAL 69 2HG1 VAL 69 2.910 -11.829 -2.785 13 HG13 VAL 69 3HG1 VAL 69 3.896 -10.585 -2.016 14 HG21 VAL 69 1HG2 VAL 69 0.938 -8.749 -3.195 15 HG22 VAL 69 2HG2 VAL 69 2.264 -8.513 -2.055 16 HG23 VAL 69 3HG2 VAL 69 1.323 -10.003 -2.017 17 H LEU 70 H LEU 70 3.730 -8.099 -6.668 18 HA LEU 70 HA LEU 70 2.656 -6.499 -7.990 19 HB2 LEU 70 2HB LEU 70 0.454 -6.473 -5.917 20 HB3 LEU 70 3HB LEU 70 0.330 -6.140 -7.641 21 HG LEU 70 HG LEU 70 1.042 -8.828 -6.428 22 HD11 LEU 70 1HD1 LEU 70 -1.176 -9.506 -7.299 23 HD12 LEU 70 2HD1 LEU 70 -1.477 -7.841 -7.797 24 HD13 LEU 70 3HD1 LEU 70 -1.316 -8.234 -6.085 25 HD21 LEU 70 1HD2 LEU 70 2.115 -8.700 -8.548 26 HD22 LEU 70 2HD2 LEU 70 0.766 -7.819 -9.266 27 HD23 LEU 70 3HD2 LEU 70 0.594 -9.529 -8.872 28 H SER 71 H SER 71 3.474 -5.874 -4.723 29 HA SER 71 HA SER 71 3.816 -3.873 -3.534 30 HB2 SER 71 2HB SER 71 5.634 -3.689 -5.142 31 HB3 SER 71 3HB SER 71 4.538 -3.056 -6.366 32 HG SER 71 HG SER 71 5.114 -1.852 -3.855 33 H VAL 72 H VAL 72 1.882 -3.243 -2.788 34 HA VAL 72 HA VAL 72 -0.367 -2.297 -4.090 35 HB VAL 72 HB VAL 72 -0.890 -1.121 -2.029 36 HG11 VAL 72 1HG1 VAL 72 0.786 -3.562 -1.393 37 HG12 VAL 72 2HG1 VAL 72 -0.856 -3.628 -2.036 38 HG13 VAL 72 3HG1 VAL 72 -0.560 -2.933 -0.442 39 HG21 VAL 72 1HG2 VAL 72 1.117 0.122 -1.620 40 HG22 VAL 72 2HG2 VAL 72 2.087 -1.351 -1.558 41 HG23 VAL 72 3HG2 VAL 72 0.947 -0.990 -0.261 42 H GLY 73 H GLY 73 2.706 -0.688 -3.706 43 HA2 GLY 73 2HA GLY 73 2.111 2.006 -4.028 44 HA3 GLY 73 3HA GLY 73 3.511 1.246 -4.782 45 H GLY 74 H GLY 74 1.320 -0.524 -6.188 46 HA2 GLY 74 2HA GLY 74 1.327 0.994 -8.647 47 HA3 GLY 74 3HA GLY 74 0.464 -0.521 -8.379 48 H GLN 75 H GLN 75 -1.350 0.027 -6.451 49 HA GLN 75 HA GLN 75 -3.241 1.713 -7.843 50 HB2 GLN 75 2HB GLN 75 -3.307 0.164 -5.257 51 HB3 GLN 75 3HB GLN 75 -4.630 1.245 -5.698 52 HG2 GLN 75 2HG GLN 75 -5.134 -1.025 -6.465 53 HG3 GLN 75 3HG GLN 75 -4.871 0.028 -7.857 54 HE21 GLN 75 1HE2 GLN 75 -2.982 -2.171 -5.700 55 HE22 GLN 75 2HE2 GLN 75 -1.973 -2.751 -6.936 56 H VAL 76 H VAL 76 -1.139 2.072 -5.046 57 HA VAL 76 HA VAL 76 -2.344 4.531 -4.111 58 HB VAL 76 HB VAL 76 0.531 3.682 -3.699 59 HG11 VAL 76 1HG1 VAL 76 0.248 4.895 -1.577 60 HG12 VAL 76 2HG1 VAL 76 -1.428 5.250 -1.996 61 HG13 VAL 76 3HG1 VAL 76 -0.116 5.947 -2.945 62 HG21 VAL 76 1HG2 VAL 76 -0.237 2.404 -1.756 63 HG22 VAL 76 2HG2 VAL 76 -1.037 1.791 -3.204 64 HG23 VAL 76 3HG2 VAL 76 -1.909 2.849 -2.095 65 H ASN 77 H ASN 77 0.777 3.959 -5.802 66 HA ASN 77 HA ASN 77 1.289 6.664 -6.422 67 HB2 ASN 77 2HB ASN 77 2.935 4.828 -6.770 68 HB3 ASN 77 3HB ASN 77 1.973 4.253 -8.131 69 HD21 ASN 77 1HD2 ASN 77 4.695 6.014 -7.544 70 HD22 ASN 77 2HD2 ASN 77 4.648 7.082 -8.862 71 H LEU 78 H LEU 78 -0.978 4.413 -7.815 72 HA LEU 78 HA LEU 78 -1.399 6.021 -10.231 73 HB2 LEU 78 2HB LEU 78 -1.775 3.629 -10.372 74 HB3 LEU 78 3HB LEU 78 -2.899 3.682 -9.018 75 HG LEU 78 HG LEU 78 -4.499 4.967 -10.316 76 HD11 LEU 78 1HD1 LEU 78 -3.193 6.419 -11.650 77 HD12 LEU 78 2HD1 LEU 78 -3.906 5.311 -12.819 78 HD13 LEU 78 3HD1 LEU 78 -2.231 5.095 -12.308 79 HD21 LEU 78 1HD2 LEU 78 -4.326 2.450 -10.607 80 HD22 LEU 78 2HD2 LEU 78 -3.429 2.761 -12.094 81 HD23 LEU 78 3HD2 LEU 78 -5.101 3.301 -11.944 82 H LEU 79 H LEU 79 -3.076 5.458 -7.146 83 HA LEU 79 HA LEU 79 -5.384 7.007 -7.654 84 HB2 LEU 79 2HB LEU 79 -4.809 5.467 -5.642 85 HB3 LEU 79 3HB LEU 79 -4.046 6.897 -4.951 86 HG LEU 79 HG LEU 79 -6.365 8.051 -5.582 87 HD11 LEU 79 1HD1 LEU 79 -7.335 5.247 -5.009 88 HD12 LEU 79 2HD1 LEU 79 -7.085 5.796 -6.664 89 HD13 LEU 79 3HD1 LEU 79 -8.246 6.625 -5.627 90 HD21 LEU 79 1HD2 LEU 79 -7.226 7.391 -3.314 91 HD22 LEU 79 2HD2 LEU 79 -5.538 7.903 -3.302 92 HD23 LEU 79 3HD2 LEU 79 -5.939 6.188 -3.225 93 H ILE 80 H ILE 80 -2.149 8.023 -6.572 94 HA ILE 80 HA ILE 80 -3.037 10.755 -6.109 95 HB ILE 80 HB ILE 80 -1.083 9.477 -4.976 96 HG12 ILE 80 2HG1 ILE 80 -1.547 11.809 -4.480 97 HG13 ILE 80 3HG1 ILE 80 0.191 11.587 -4.649 98 HG21 ILE 80 1HG2 ILE 80 0.406 10.564 -7.364 99 HG22 ILE 80 2HG2 ILE 80 -0.008 8.864 -7.131 100 HG23 ILE 80 3HG2 ILE 80 1.076 9.668 -6.000 101 HD11 ILE 80 1HD1 ILE 80 -1.728 12.953 -6.512 102 HD12 ILE 80 2HD1 ILE 80 -0.227 12.280 -7.149 103 HD13 ILE 80 3HD1 ILE 80 -0.178 13.518 -5.902 104 H GLN 81 H GLN 81 -1.040 9.137 -8.635 105 HA GLN 81 HA GLN 81 -0.681 11.427 -10.273 106 HB2 GLN 81 2HB GLN 81 -0.428 8.501 -10.535 107 HB3 GLN 81 3HB GLN 81 -0.887 9.262 -12.049 108 HG2 GLN 81 2HG GLN 81 1.511 9.186 -11.975 109 HG3 GLN 81 3HG GLN 81 1.029 10.862 -11.744 110 HE21 GLN 81 1HE2 GLN 81 0.642 8.563 -9.102 111 HE22 GLN 81 2HE2 GLN 81 1.910 9.164 -8.152 112 H GLN 82 H GLN 82 -3.532 9.742 -9.462 113 HA GLN 82 HA GLN 82 -4.935 10.393 -11.969 114 HB2 GLN 82 2HB GLN 82 -5.822 8.403 -11.235 115 HB3 GLN 82 3HB GLN 82 -5.373 8.713 -9.566 116 HG2 GLN 82 2HG GLN 82 -7.838 8.599 -9.927 117 HG3 GLN 82 3HG GLN 82 -7.307 10.134 -9.249 118 HE21 GLN 82 1HE2 GLN 82 -8.394 11.844 -10.242 119 HE22 GLN 82 2HE2 GLN 82 -8.821 11.909 -11.884 120 H ALA 83 H ALA 83 -5.370 11.244 -8.482 121 HA ALA 83 HA ALA 83 -7.395 13.140 -8.790 122 HB1 ALA 83 1HB ALA 83 -4.995 13.368 -6.947 123 HB2 ALA 83 2HB ALA 83 -6.479 12.482 -6.593 124 HB3 ALA 83 3HB ALA 83 -6.519 14.238 -6.762 125 H ILE 84 H ILE 84 -4.007 14.191 -8.415 126 HA ILE 84 HA ILE 84 -3.113 16.292 -9.043 127 HB ILE 84 HB ILE 84 -3.710 15.125 -11.760 128 HG12 ILE 84 2HG1 ILE 84 -3.035 13.233 -10.411 129 HG13 ILE 84 3HG1 ILE 84 -1.623 13.738 -11.340 130 HG21 ILE 84 1HG2 ILE 84 -2.499 17.286 -11.595 131 HG22 ILE 84 2HG2 ILE 84 -1.471 16.007 -12.242 132 HG23 ILE 84 3HG2 ILE 84 -1.303 16.510 -10.559 133 HD11 ILE 84 1HD1 ILE 84 -0.801 13.438 -9.127 134 HD12 ILE 84 2HD1 ILE 84 -2.208 14.220 -8.416 135 HD13 ILE 84 3HD1 ILE 84 -1.012 15.180 -9.281 136 H ASP 85 H ASP 85 -5.188 17.472 -8.329 137 HA ASP 85 HA ASP 85 -5.810 19.487 -10.190 138 HB2 ASP 85 2HB ASP 85 -7.370 17.063 -10.593 139 HB3 ASP 85 3HB ASP 85 -8.444 18.376 -10.127 140 HA PRO 86 HA PRO 86 -8.619 19.987 -6.400 141 HB2 PRO 86 2HB PRO 86 -9.164 17.958 -4.721 142 HB3 PRO 86 3HB PRO 86 -9.984 18.093 -6.292 143 HG2 PRO 86 2HG PRO 86 -7.685 16.352 -5.507 144 HG3 PRO 86 3HG PRO 86 -9.107 15.960 -6.492 145 HD2 PRO 86 2HD PRO 86 -6.621 16.620 -7.546 146 HD3 PRO 86 3HD PRO 86 -8.154 16.800 -8.422 147 H LYS 87 H LYS 87 -6.268 17.487 -5.352 148 HA LYS 87 HA LYS 87 -5.592 18.535 -2.855 149 HB2 LYS 87 2HB LYS 87 -3.474 17.388 -3.058 150 HB3 LYS 87 3HB LYS 87 -4.687 16.409 -3.881 151 HG2 LYS 87 2HG LYS 87 -3.998 17.543 -6.041 152 HG3 LYS 87 3HG LYS 87 -2.654 18.263 -5.155 153 HD2 LYS 87 2HD LYS 87 -2.132 15.804 -4.429 154 HD3 LYS 87 3HD LYS 87 -3.150 15.362 -5.802 155 HE2 LYS 87 2HE LYS 87 -0.503 16.788 -5.785 156 HE3 LYS 87 3HE LYS 87 -1.051 15.470 -6.819 157 HZ1 LYS 87 1HZ LYS 87 -1.465 18.333 -7.085 158 HZ2 LYS 87 2HZ LYS 87 -2.789 17.350 -7.490 159 HZ3 LYS 87 3HZ LYS 87 -1.300 17.143 -8.282 160 H ASN 88 H ASN 88 -5.103 19.944 -5.942 161 HA ASN 88 HA ASN 88 -2.829 21.591 -5.204 162 HB2 ASN 88 2HB ASN 88 -2.822 22.093 -7.431 163 HB3 ASN 88 3HB ASN 88 -4.153 20.956 -7.591 164 HD21 ASN 88 1HD2 ASN 88 -6.415 21.944 -7.356 165 HD22 ASN 88 2HD2 ASN 88 -6.640 23.545 -7.871 166 H LEU 89 H LEU 89 -6.269 22.458 -5.792 167 HA LEU 89 HA LEU 89 -6.123 25.047 -4.671 168 HB2 LEU 89 2HB LEU 89 -8.092 24.391 -5.885 169 HB3 LEU 89 3HB LEU 89 -8.402 23.051 -4.788 170 HG LEU 89 HG LEU 89 -8.253 25.730 -3.475 171 HD11 LEU 89 1HD1 LEU 89 -10.422 25.045 -5.465 172 HD12 LEU 89 2HD1 LEU 89 -9.442 26.509 -5.386 173 HD13 LEU 89 3HD1 LEU 89 -10.665 26.199 -4.153 174 HD21 LEU 89 1HD2 LEU 89 -9.912 24.828 -2.065 175 HD22 LEU 89 2HD2 LEU 89 -8.960 23.409 -2.498 176 HD23 LEU 89 3HD2 LEU 89 -10.497 23.715 -3.302 177 H SER 90 H SER 90 -6.085 21.928 -3.158 178 HA SER 90 HA SER 90 -6.759 22.986 -0.513 179 HB2 SER 90 2HB SER 90 -7.371 20.653 -1.343 180 HB3 SER 90 3HB SER 90 -5.667 20.244 -1.157 181 HG SER 90 HG SER 90 -5.838 20.448 0.980 182 H ARG 91 H ARG 91 -3.877 21.972 -2.298 183 HA ARG 91 HA ARG 91 -2.107 22.083 -0.003 184 HB2 ARG 91 2HB ARG 91 -1.742 21.935 -2.990 185 HB3 ARG 91 3HB ARG 91 -0.347 22.280 -1.971 186 HG2 ARG 91 2HG ARG 91 -2.189 19.922 -1.483 187 HG3 ARG 91 3HG ARG 91 -0.767 19.812 -2.514 188 HD2 ARG 91 2HD ARG 91 0.414 19.331 -0.622 189 HD3 ARG 91 3HD ARG 91 0.184 21.009 -0.135 190 HE ARG 91 HE ARG 91 -1.357 20.249 1.466 191 HH11 ARG 91 1HH1 ARG 91 -2.673 18.688 2.438 192 HH12 ARG 91 2HH1 ARG 91 -2.902 17.160 1.654 193 HH21 ARG 91 1HH2 ARG 91 -0.889 17.948 -1.057 194 HH22 ARG 91 2HH2 ARG 91 -1.891 16.741 -0.323 195 H LEU 92 H LEU 92 -3.449 24.485 -2.115 196 HA LEU 92 HA LEU 92 -1.344 26.446 -1.696 197 HB2 LEU 92 2HB LEU 92 -4.196 26.775 -2.659 198 HB3 LEU 92 3HB LEU 92 -2.967 28.038 -2.707 199 HG LEU 92 HG LEU 92 -2.652 25.336 -4.029 200 HD11 LEU 92 1HD1 LEU 92 -3.322 27.956 -5.391 201 HD12 LEU 92 2HD1 LEU 92 -4.544 26.757 -4.963 202 HD13 LEU 92 3HD1 LEU 92 -3.275 26.349 -6.116 203 HD21 LEU 92 1HD2 LEU 92 -0.486 26.177 -3.821 204 HD22 LEU 92 2HD2 LEU 92 -1.010 27.857 -3.920 205 HD23 LEU 92 3HD2 LEU 92 -0.949 26.864 -5.374 206 H PHE 93 H PHE 93 -3.594 25.221 0.456 207 HA PHE 93 HA PHE 93 -3.083 27.460 2.256 208 HB2 PHE 93 2HB PHE 93 -5.716 27.197 0.871 209 HB3 PHE 93 3HB PHE 93 -5.753 27.646 2.579 210 HD1 PHE 93 1HD PHE 93 -5.278 28.818 -0.774 211 HD2 PHE 93 2HD PHE 93 -4.213 29.596 3.314 212 HE1 PHE 93 1HE PHE 93 -4.675 31.145 -1.376 213 HE2 PHE 93 2HE PHE 93 -3.607 31.923 2.711 214 HZ PHE 93 HZ PHE 93 -3.838 32.699 0.367 215 HA PRO 94 HA PRO 94 -5.348 24.357 5.022 216 HB2 PRO 94 2HB PRO 94 -6.857 22.327 4.006 217 HB3 PRO 94 3HB PRO 94 -7.510 23.960 4.264 218 HG2 PRO 94 2HG PRO 94 -6.435 22.743 1.750 219 HG3 PRO 94 3HG PRO 94 -7.947 23.638 1.998 220 HD2 PRO 94 2HD PRO 94 -5.777 24.869 0.967 221 HD3 PRO 94 3HD PRO 94 -6.872 25.704 2.098 222 H GLY 95 H GLY 95 -4.703 22.416 2.099 223 HA2 GLY 95 2HA GLY 95 -3.629 20.134 3.236 224 HA3 GLY 95 3HA GLY 95 -3.061 20.784 1.701 225 H TRP 96 H TRP 96 -2.365 23.277 3.557 226 HA TRP 96 HA TRP 96 0.412 22.936 3.627 227 HB2 TRP 96 2HB TRP 96 -1.434 24.571 5.380 228 HB3 TRP 96 3HB TRP 96 0.318 24.636 5.563 229 HD1 TRP 96 HD TRP 96 -0.970 24.146 2.053 230 HE1 TRP 96 1HE TRP 96 -0.610 26.304 0.694 231 HE3 TRP 96 3HE TRP 96 0.392 27.338 5.803 232 HZ2 TRP 96 2HZ TRP 96 0.153 29.015 1.133 233 HZ3 TRP 96 3HZ TRP 96 0.930 29.704 5.301 234 HH2 TRP 96 HH TRP 96 0.813 30.548 2.972 235 H LYS 97 H LYS 97 -1.980 21.490 5.657 236 HA LYS 97 HA LYS 97 -0.485 21.012 8.018 237 HB2 LYS 97 2HB LYS 97 -2.494 19.141 6.738 238 HB3 LYS 97 3HB LYS 97 -2.005 19.144 8.431 239 HG2 LYS 97 2HG LYS 97 -3.275 21.521 7.061 240 HG3 LYS 97 3HG LYS 97 -4.203 20.312 7.931 241 HD2 LYS 97 2HD LYS 97 -3.806 21.436 9.872 242 HD3 LYS 97 3HD LYS 97 -2.088 21.103 9.698 243 HE2 LYS 97 2HE LYS 97 -3.473 23.443 8.354 244 HE3 LYS 97 3HE LYS 97 -2.678 23.554 9.923 245 HZ1 LYS 97 1HZ LYS 97 -1.193 24.228 8.157 246 HZ2 LYS 97 2HZ LYS 97 -1.397 22.736 7.371 247 HZ3 LYS 97 3HZ LYS 97 -0.623 22.804 8.882 248 H ALA 98 H ALA 98 0.227 19.936 4.885 249 HA ALA 98 HA ALA 98 1.566 17.466 5.823 250 HB1 ALA 98 1HB ALA 98 1.303 18.628 3.038 251 HB2 ALA 98 2HB ALA 98 0.211 17.421 3.722 252 HB3 ALA 98 3HB ALA 98 1.906 17.020 3.442 253 H TRP 99 H TRP 99 2.115 20.739 5.074 254 HA TRP 99 HA TRP 99 4.845 20.500 4.245 255 HB2 TRP 99 2HB TRP 99 3.380 22.886 5.389 256 HB3 TRP 99 3HB TRP 99 4.937 22.942 4.566 257 HD1 TRP 99 HD TRP 99 2.999 20.415 2.784 258 HE1 TRP 99 1HE TRP 99 1.872 21.387 0.702 259 HE3 TRP 99 3HE TRP 99 3.547 25.410 3.725 260 HZ2 TRP 99 2HZ TRP 99 1.301 23.930 -0.451 261 HZ3 TRP 99 3HZ TRP 99 2.705 27.085 2.103 262 HH2 TRP 99 HH TRP 99 1.581 26.352 0.018 263 H VAL 100 H VAL 100 3.264 20.644 7.347 264 HA VAL 100 HA VAL 100 5.421 21.550 8.941 265 HB VAL 100 HB VAL 100 4.271 20.420 10.791 266 HG11 VAL 100 1HG1 VAL 100 2.177 21.511 8.907 267 HG12 VAL 100 2HG1 VAL 100 3.370 22.550 9.687 268 HG13 VAL 100 3HG1 VAL 100 2.226 21.633 10.667 269 HG21 VAL 100 1HG2 VAL 100 2.190 19.094 10.211 270 HG22 VAL 100 2HG2 VAL 100 3.708 18.307 9.778 271 HG23 VAL 100 3HG2 VAL 100 2.741 19.102 8.536 Start of MODEL 9 1 H THR 68 H THR 68 -0.973 -7.139 -2.764 2 HA THR 68 HA THR 68 -2.909 -7.063 -4.975 3 HB THR 68 HB THR 68 -0.724 -5.021 -4.568 4 HG1 THR 68 1HG THR 68 -2.267 -4.068 -3.047 5 HG21 THR 68 1HG2 THR 68 -2.265 -3.529 -5.519 6 HG22 THR 68 2HG2 THR 68 -3.649 -4.533 -5.089 7 HG23 THR 68 3HG2 THR 68 -2.585 -5.018 -6.408 8 H VAL 69 H VAL 69 -0.811 -5.426 -6.503 9 HA VAL 69 HA VAL 69 0.136 -7.658 -8.126 10 HB VAL 69 HB VAL 69 0.927 -5.881 -9.658 11 HG11 VAL 69 1HG1 VAL 69 -1.332 -6.541 -9.991 12 HG12 VAL 69 2HG1 VAL 69 -1.385 -4.779 -9.945 13 HG13 VAL 69 3HG1 VAL 69 -1.878 -5.715 -8.530 14 HG21 VAL 69 1HG2 VAL 69 0.197 -4.142 -7.295 15 HG22 VAL 69 2HG2 VAL 69 0.110 -3.489 -8.930 16 HG23 VAL 69 3HG2 VAL 69 1.641 -4.088 -8.302 17 H LEU 70 H LEU 70 1.348 -7.983 -5.770 18 HA LEU 70 HA LEU 70 3.448 -8.219 -4.756 19 HB2 LEU 70 2HB LEU 70 4.646 -7.320 -7.384 20 HB3 LEU 70 3HB LEU 70 5.351 -8.390 -6.177 21 HG LEU 70 HG LEU 70 2.894 -9.019 -7.840 22 HD11 LEU 70 1HD1 LEU 70 4.338 -10.614 -8.996 23 HD12 LEU 70 2HD1 LEU 70 5.700 -10.160 -7.972 24 HD13 LEU 70 3HD1 LEU 70 5.034 -8.998 -9.120 25 HD21 LEU 70 1HD2 LEU 70 3.411 -11.355 -6.875 26 HD22 LEU 70 2HD2 LEU 70 2.689 -10.183 -5.774 27 HD23 LEU 70 3HD2 LEU 70 4.420 -10.514 -5.697 28 H SER 71 H SER 71 2.108 -5.405 -5.551 29 HA SER 71 HA SER 71 3.731 -3.849 -3.794 30 HB2 SER 71 2HB SER 71 4.167 -3.484 -6.761 31 HB3 SER 71 3HB SER 71 4.440 -2.165 -5.628 32 HG SER 71 HG SER 71 5.735 -3.886 -4.469 33 H VAL 72 H VAL 72 2.205 -2.712 -2.873 34 HA VAL 72 HA VAL 72 -0.327 -2.126 -4.121 35 HB VAL 72 HB VAL 72 -0.757 -0.892 -2.039 36 HG11 VAL 72 1HG1 VAL 72 -0.238 -2.775 -0.444 37 HG12 VAL 72 2HG1 VAL 72 0.717 -3.517 -1.729 38 HG13 VAL 72 3HG1 VAL 72 -1.021 -3.296 -1.937 39 HG21 VAL 72 1HG2 VAL 72 2.211 -1.323 -1.635 40 HG22 VAL 72 2HG2 VAL 72 1.117 -0.863 -0.328 41 HG23 VAL 72 3HG2 VAL 72 1.354 0.217 -1.701 42 H GLY 73 H GLY 73 2.705 -0.410 -3.774 43 HA2 GLY 73 2HA GLY 73 2.031 2.255 -4.102 44 HA3 GLY 73 3HA GLY 73 3.432 1.535 -4.891 45 H GLY 74 H GLY 74 1.366 -0.319 -6.284 46 HA2 GLY 74 2HA GLY 74 1.238 1.152 -8.739 47 HA3 GLY 74 3HA GLY 74 0.376 -0.349 -8.408 48 H GLN 75 H GLN 75 -1.395 0.216 -6.485 49 HA GLN 75 HA GLN 75 -3.302 1.912 -7.846 50 HB2 GLN 75 2HB GLN 75 -3.337 0.348 -5.266 51 HB3 GLN 75 3HB GLN 75 -4.664 1.432 -5.683 52 HG2 GLN 75 2HG GLN 75 -5.191 -0.824 -6.455 53 HG3 GLN 75 3HG GLN 75 -4.926 0.225 -7.850 54 HE21 GLN 75 1HE2 GLN 75 -2.285 -1.024 -5.814 55 HE22 GLN 75 2HE2 GLN 75 -1.608 -2.020 -7.011 56 H VAL 76 H VAL 76 -1.253 2.236 -4.979 57 HA VAL 76 HA VAL 76 -2.455 4.669 -4.043 58 HB VAL 76 HB VAL 76 0.449 3.905 -3.695 59 HG11 VAL 76 1HG1 VAL 76 -0.392 6.146 -2.901 60 HG12 VAL 76 2HG1 VAL 76 0.246 5.120 -1.616 61 HG13 VAL 76 3HG1 VAL 76 -1.498 5.285 -1.830 62 HG21 VAL 76 1HG2 VAL 76 -0.284 2.595 -1.731 63 HG22 VAL 76 2HG2 VAL 76 -0.979 1.939 -3.213 64 HG23 VAL 76 3HG2 VAL 76 -1.968 2.926 -2.138 65 H ASN 77 H ASN 77 0.621 4.192 -5.843 66 HA ASN 77 HA ASN 77 1.053 6.922 -6.395 67 HB2 ASN 77 2HB ASN 77 2.692 6.247 -7.917 68 HB3 ASN 77 3HB ASN 77 2.553 4.817 -6.903 69 HD21 ASN 77 1HD2 ASN 77 1.018 6.169 -9.887 70 HD22 ASN 77 2HD2 ASN 77 0.923 4.675 -10.688 71 H LEU 78 H LEU 78 -1.116 4.616 -7.902 72 HA LEU 78 HA LEU 78 -1.742 6.290 -10.187 73 HB2 LEU 78 2HB LEU 78 -2.104 3.802 -10.099 74 HB3 LEU 78 3HB LEU 78 -3.397 4.075 -8.937 75 HG LEU 78 HG LEU 78 -4.388 5.671 -10.760 76 HD11 LEU 78 1HD1 LEU 78 -2.448 3.993 -12.380 77 HD12 LEU 78 2HD1 LEU 78 -2.523 5.753 -12.297 78 HD13 LEU 78 3HD1 LEU 78 -3.818 4.852 -13.079 79 HD21 LEU 78 1HD2 LEU 78 -5.532 3.648 -10.166 80 HD22 LEU 78 2HD2 LEU 78 -4.322 2.653 -10.975 81 HD23 LEU 78 3HD2 LEU 78 -5.416 3.657 -11.928 82 H LEU 79 H LEU 79 -3.146 5.827 -6.961 83 HA LEU 79 HA LEU 79 -5.496 7.373 -7.387 84 HB2 LEU 79 2HB LEU 79 -3.998 6.310 -5.065 85 HB3 LEU 79 3HB LEU 79 -4.886 7.785 -4.699 86 HG LEU 79 HG LEU 79 -6.940 6.702 -5.702 87 HD11 LEU 79 1HD1 LEU 79 -5.463 4.979 -6.966 88 HD12 LEU 79 2HD1 LEU 79 -6.965 4.404 -6.245 89 HD13 LEU 79 3HD1 LEU 79 -5.428 4.101 -5.437 90 HD21 LEU 79 1HD2 LEU 79 -7.257 5.137 -3.737 91 HD22 LEU 79 2HD2 LEU 79 -6.708 6.757 -3.302 92 HD23 LEU 79 3HD2 LEU 79 -5.564 5.415 -3.328 93 H ILE 80 H ILE 80 -2.219 8.354 -6.368 94 HA ILE 80 HA ILE 80 -3.065 11.134 -6.126 95 HB ILE 80 HB ILE 80 -1.350 10.828 -4.616 96 HG12 ILE 80 2HG1 ILE 80 0.760 11.751 -5.383 97 HG13 ILE 80 3HG1 ILE 80 0.396 11.347 -7.051 98 HG21 ILE 80 1HG2 ILE 80 0.683 9.349 -5.223 99 HG22 ILE 80 2HG2 ILE 80 -0.298 8.814 -6.584 100 HG23 ILE 80 3HG2 ILE 80 -0.865 8.556 -4.936 101 HD11 ILE 80 1HD1 ILE 80 -0.674 13.306 -7.336 102 HD12 ILE 80 2HD1 ILE 80 -0.166 13.767 -5.716 103 HD13 ILE 80 3HD1 ILE 80 -1.731 12.999 -5.956 104 H GLN 81 H GLN 81 -1.022 9.296 -8.450 105 HA GLN 81 HA GLN 81 -0.336 11.472 -10.105 106 HB2 GLN 81 2HB GLN 81 -0.687 8.529 -10.568 107 HB3 GLN 81 3HB GLN 81 -0.600 9.549 -11.996 108 HG2 GLN 81 2HG GLN 81 1.639 8.932 -11.610 109 HG3 GLN 81 3HG GLN 81 1.544 10.547 -10.920 110 HE21 GLN 81 1HE2 GLN 81 0.515 10.229 -8.432 111 HE22 GLN 81 2HE2 GLN 81 1.428 9.140 -7.506 112 H GLN 82 H GLN 82 -3.356 9.580 -10.094 113 HA GLN 82 HA GLN 82 -4.404 11.074 -12.382 114 HB2 GLN 82 2HB GLN 82 -6.390 9.754 -12.120 115 HB3 GLN 82 3HB GLN 82 -5.024 8.690 -11.814 116 HG2 GLN 82 2HG GLN 82 -6.344 8.153 -9.982 117 HG3 GLN 82 3HG GLN 82 -5.401 9.467 -9.291 118 HE21 GLN 82 1HE2 GLN 82 -7.243 11.161 -11.368 119 HE22 GLN 82 2HE2 GLN 82 -8.620 11.444 -10.418 120 H ALA 83 H ALA 83 -4.647 11.267 -8.873 121 HA ALA 83 HA ALA 83 -6.892 13.026 -8.766 122 HB1 ALA 83 1HB ALA 83 -6.133 13.538 -6.484 123 HB2 ALA 83 2HB ALA 83 -4.578 12.782 -6.829 124 HB3 ALA 83 3HB ALA 83 -6.046 11.806 -6.800 125 H ILE 84 H ILE 84 -3.755 13.633 -9.961 126 HA ILE 84 HA ILE 84 -4.058 16.582 -9.471 127 HB ILE 84 HB ILE 84 -1.609 16.699 -9.990 128 HG12 ILE 84 2HG1 ILE 84 -0.394 14.455 -9.677 129 HG13 ILE 84 3HG1 ILE 84 -1.944 13.682 -9.975 130 HG21 ILE 84 1HG2 ILE 84 -2.399 16.700 -7.689 131 HG22 ILE 84 2HG2 ILE 84 -0.926 15.738 -7.798 132 HG23 ILE 84 3HG2 ILE 84 -2.493 14.939 -7.690 133 HD11 ILE 84 1HD1 ILE 84 -0.237 14.135 -11.956 134 HD12 ILE 84 2HD1 ILE 84 -0.995 15.724 -11.956 135 HD13 ILE 84 3HD1 ILE 84 -1.972 14.279 -12.206 136 H ASP 85 H ASP 85 -5.129 14.701 -11.725 137 HA ASP 85 HA ASP 85 -4.667 16.674 -13.839 138 HB2 ASP 85 2HB ASP 85 -3.845 14.959 -15.481 139 HB3 ASP 85 3HB ASP 85 -2.700 15.283 -14.184 140 HA PRO 86 HA PRO 86 -8.773 15.225 -14.786 141 HB2 PRO 86 2HB PRO 86 -9.070 16.076 -17.364 142 HB3 PRO 86 3HB PRO 86 -9.033 17.197 -15.987 143 HG2 PRO 86 2HG PRO 86 -6.840 16.465 -17.882 144 HG3 PRO 86 3HG PRO 86 -7.307 18.063 -17.267 145 HD2 PRO 86 2HD PRO 86 -5.209 16.662 -16.232 146 HD3 PRO 86 3HD PRO 86 -6.198 17.756 -15.243 147 H LYS 87 H LYS 87 -6.345 13.428 -15.395 148 HA LYS 87 HA LYS 87 -6.618 12.037 -17.808 149 HB2 LYS 87 2HB LYS 87 -5.922 11.056 -15.032 150 HB3 LYS 87 3HB LYS 87 -5.861 9.998 -16.441 151 HG2 LYS 87 2HG LYS 87 -4.441 12.654 -16.561 152 HG3 LYS 87 3HG LYS 87 -3.696 11.333 -15.665 153 HD2 LYS 87 2HD LYS 87 -3.566 9.947 -17.592 154 HD3 LYS 87 3HD LYS 87 -4.681 10.965 -18.501 155 HE2 LYS 87 2HE LYS 87 -1.927 11.816 -17.558 156 HE3 LYS 87 3HE LYS 87 -2.327 11.322 -19.204 157 HZ1 LYS 87 1HZ LYS 87 -2.715 13.834 -17.947 158 HZ2 LYS 87 2HZ LYS 87 -4.197 13.225 -18.509 159 HZ3 LYS 87 3HZ LYS 87 -2.893 13.417 -19.581 160 H ASN 88 H ASN 88 -8.551 11.785 -14.867 161 HA ASN 88 HA ASN 88 -10.080 9.490 -15.573 162 HB2 ASN 88 2HB ASN 88 -11.740 10.318 -13.975 163 HB3 ASN 88 3HB ASN 88 -10.120 10.564 -13.322 164 HD21 ASN 88 1HD2 ASN 88 -9.869 12.854 -15.463 165 HD22 ASN 88 2HD2 ASN 88 -10.659 14.156 -14.716 166 H LEU 89 H LEU 89 -10.194 12.792 -16.678 167 HA LEU 89 HA LEU 89 -12.838 12.527 -17.915 168 HB2 LEU 89 2HB LEU 89 -11.991 14.702 -17.088 169 HB3 LEU 89 3HB LEU 89 -10.681 14.635 -18.262 170 HG LEU 89 HG LEU 89 -13.419 14.288 -19.411 171 HD11 LEU 89 1HD1 LEU 89 -14.009 16.008 -17.848 172 HD12 LEU 89 2HD1 LEU 89 -13.756 16.803 -19.402 173 HD13 LEU 89 3HD1 LEU 89 -12.512 16.889 -18.154 174 HD21 LEU 89 1HD2 LEU 89 -10.997 15.975 -20.135 175 HD22 LEU 89 2HD2 LEU 89 -12.468 15.872 -21.101 176 HD23 LEU 89 3HD2 LEU 89 -11.463 14.443 -20.872 177 H SER 90 H SER 90 -9.523 13.006 -19.209 178 HA SER 90 HA SER 90 -10.127 12.499 -21.914 179 HB2 SER 90 2HB SER 90 -7.700 11.658 -22.008 180 HB3 SER 90 3HB SER 90 -7.942 13.298 -21.415 181 HG SER 90 HG SER 90 -7.314 12.688 -19.492 182 H ARG 91 H ARG 91 -9.960 10.338 -19.218 183 HA ARG 91 HA ARG 91 -9.637 7.905 -20.782 184 HB2 ARG 91 2HB ARG 91 -10.387 8.513 -17.922 185 HB3 ARG 91 3HB ARG 91 -10.500 6.871 -18.551 186 HG2 ARG 91 2HG ARG 91 -8.173 6.762 -19.004 187 HG3 ARG 91 3HG ARG 91 -7.979 8.508 -18.854 188 HD2 ARG 91 2HD ARG 91 -7.245 6.967 -16.863 189 HD3 ARG 91 3HD ARG 91 -8.122 8.458 -16.517 190 HE ARG 91 HE ARG 91 -10.152 6.631 -16.749 191 HH11 ARG 91 1HH1 ARG 91 -10.890 5.333 -15.049 192 HH12 ARG 91 2HH1 ARG 91 -9.818 4.940 -13.748 193 HH21 ARG 91 1HH2 ARG 91 -7.145 6.715 -15.063 194 HH22 ARG 91 2HH2 ARG 91 -7.697 5.722 -13.756 195 H LEU 92 H LEU 92 -12.422 9.071 -18.836 196 HA LEU 92 HA LEU 92 -14.340 7.308 -19.877 197 HB2 LEU 92 2HB LEU 92 -14.756 10.217 -19.119 198 HB3 LEU 92 3HB LEU 92 -16.026 9.003 -19.248 199 HG LEU 92 HG LEU 92 -13.646 8.679 -17.403 200 HD11 LEU 92 1HD1 LEU 92 -16.345 9.945 -16.868 201 HD12 LEU 92 2HD1 LEU 92 -14.759 10.694 -16.685 202 HD13 LEU 92 3HD1 LEU 92 -15.254 9.401 -15.593 203 HD21 LEU 92 1HD2 LEU 92 -14.726 6.585 -17.713 204 HD22 LEU 92 2HD2 LEU 92 -16.331 7.314 -17.722 205 HD23 LEU 92 3HD2 LEU 92 -15.420 7.207 -16.218 206 H PHE 93 H PHE 93 -12.861 10.080 -21.395 207 HA PHE 93 HA PHE 93 -14.796 10.645 -23.377 208 HB2 PHE 93 2HB PHE 93 -11.853 11.020 -23.086 209 HB3 PHE 93 3HB PHE 93 -12.456 11.088 -24.738 210 HD1 PHE 93 1HD PHE 93 -12.282 13.408 -25.229 211 HD2 PHE 93 2HD PHE 93 -14.248 12.122 -21.632 212 HE1 PHE 93 1HE PHE 93 -13.084 15.723 -24.840 213 HE2 PHE 93 2HE PHE 93 -15.049 14.436 -21.243 214 HZ PHE 93 HZ PHE 93 -14.467 16.237 -22.848 215 HA PRO 94 HA PRO 94 -15.190 7.285 -26.221 216 HB2 PRO 94 2HB PRO 94 -13.769 9.030 -28.221 217 HB3 PRO 94 3HB PRO 94 -15.243 8.062 -28.426 218 HG2 PRO 94 2HG PRO 94 -15.356 10.701 -28.042 219 HG3 PRO 94 3HG PRO 94 -16.573 9.608 -27.358 220 HD2 PRO 94 2HD PRO 94 -14.440 11.128 -25.956 221 HD3 PRO 94 3HD PRO 94 -15.958 10.460 -25.318 222 H GLY 95 H GLY 95 -12.082 8.624 -25.537 223 HA2 GLY 95 2HA GLY 95 -10.297 7.151 -27.082 224 HA3 GLY 95 3HA GLY 95 -9.987 7.564 -25.396 225 H TRP 96 H TRP 96 -11.951 6.033 -24.119 226 HA TRP 96 HA TRP 96 -10.708 3.493 -23.928 227 HB2 TRP 96 2HB TRP 96 -13.438 4.503 -23.120 228 HB3 TRP 96 3HB TRP 96 -12.964 2.831 -22.832 229 HD1 TRP 96 HD TRP 96 -10.481 5.735 -22.532 230 HE1 TRP 96 1HE TRP 96 -9.723 5.912 -20.079 231 HE3 TRP 96 3HE TRP 96 -13.612 2.318 -20.386 232 HZ2 TRP 96 2HZ TRP 96 -10.350 4.762 -17.547 233 HZ3 TRP 96 3HZ TRP 96 -13.507 1.880 -17.948 234 HH2 TRP 96 HH TRP 96 -11.882 3.098 -16.527 235 H LYS 97 H LYS 97 -13.084 4.654 -26.180 236 HA LYS 97 HA LYS 97 -14.312 2.216 -26.922 237 HB2 LYS 97 2HB LYS 97 -13.634 4.470 -28.822 238 HB3 LYS 97 3HB LYS 97 -14.931 3.296 -28.995 239 HG2 LYS 97 2HG LYS 97 -14.942 4.958 -26.492 240 HG3 LYS 97 3HG LYS 97 -15.340 5.775 -27.993 241 HD2 LYS 97 2HD LYS 97 -17.407 5.011 -27.051 242 HD3 LYS 97 3HD LYS 97 -17.065 3.979 -28.434 243 HE2 LYS 97 2HE LYS 97 -16.611 2.125 -27.102 244 HE3 LYS 97 3HE LYS 97 -16.095 3.102 -25.727 245 HZ1 LYS 97 1HZ LYS 97 -18.403 3.789 -25.422 246 HZ2 LYS 97 2HZ LYS 97 -18.224 2.104 -25.293 247 HZ3 LYS 97 3HZ LYS 97 -18.878 2.785 -26.705 248 H ALA 98 H ALA 98 -11.038 3.052 -27.216 249 HA ALA 98 HA ALA 98 -10.637 1.110 -29.443 250 HB1 ALA 98 1HB ALA 98 -8.802 3.265 -28.366 251 HB2 ALA 98 2HB ALA 98 -9.717 3.359 -29.871 252 HB3 ALA 98 3HB ALA 98 -8.422 2.175 -29.699 253 H TRP 99 H TRP 99 -10.150 1.803 -26.116 254 HA TRP 99 HA TRP 99 -7.955 -0.032 -25.723 255 HB2 TRP 99 2HB TRP 99 -9.886 1.067 -23.667 256 HB3 TRP 99 3HB TRP 99 -8.313 0.348 -23.343 257 HD1 TRP 99 HD TRP 99 -7.716 2.284 -26.333 258 HE1 TRP 99 1HE TRP 99 -6.819 4.626 -25.804 259 HE3 TRP 99 3HE TRP 99 -8.791 2.548 -21.341 260 HZ2 TRP 99 2HZ TRP 99 -6.556 6.382 -23.575 261 HZ3 TRP 99 3HZ TRP 99 -8.187 4.570 -20.039 262 HH2 TRP 99 HH TRP 99 -7.075 6.487 -21.148 263 H VAL 100 H VAL 100 -11.356 -0.363 -26.076 264 HA VAL 100 HA VAL 100 -11.828 -2.640 -24.488 265 HB VAL 100 HB VAL 100 -13.154 -0.962 -26.417 266 HG11 VAL 100 1HG1 VAL 100 -13.669 -3.906 -26.747 267 HG12 VAL 100 2HG1 VAL 100 -13.047 -2.783 -27.959 268 HG13 VAL 100 3HG1 VAL 100 -14.703 -2.622 -27.375 269 HG21 VAL 100 1HG2 VAL 100 -14.176 -2.916 -24.359 270 HG22 VAL 100 2HG2 VAL 100 -15.178 -1.738 -25.209 271 HG23 VAL 100 3HG2 VAL 100 -13.882 -1.190 -24.143 Start of MODEL 10 1 H THR 68 H THR 68 5.048 -12.788 -3.036 2 HA THR 68 HA THR 68 6.777 -11.342 -1.275 3 HB THR 68 HB THR 68 5.649 -10.212 -3.843 4 HG1 THR 68 1HG THR 68 6.555 -12.563 -3.702 5 HG21 THR 68 1HG2 THR 68 7.701 -9.054 -3.979 6 HG22 THR 68 2HG2 THR 68 8.487 -10.137 -2.831 7 HG23 THR 68 3HG2 THR 68 7.293 -8.970 -2.266 8 H VAL 69 H VAL 69 5.359 -8.805 -2.756 9 HA VAL 69 HA VAL 69 3.402 -8.290 -0.574 10 HB VAL 69 HB VAL 69 4.204 -5.955 -0.499 11 HG11 VAL 69 1HG1 VAL 69 5.153 -7.648 1.039 12 HG12 VAL 69 2HG1 VAL 69 6.344 -6.415 0.626 13 HG13 VAL 69 3HG1 VAL 69 6.414 -8.002 -0.141 14 HG21 VAL 69 1HG2 VAL 69 5.108 -5.532 -2.642 15 HG22 VAL 69 2HG2 VAL 69 6.084 -6.999 -2.625 16 HG23 VAL 69 3HG2 VAL 69 6.538 -5.623 -1.619 17 H LEU 70 H LEU 70 3.789 -8.728 -3.784 18 HA LEU 70 HA LEU 70 2.492 -8.196 -5.659 19 HB2 LEU 70 2HB LEU 70 0.460 -7.079 -3.721 20 HB3 LEU 70 3HB LEU 70 0.175 -7.822 -5.294 21 HG LEU 70 HG LEU 70 1.206 -9.225 -2.810 22 HD11 LEU 70 1HD1 LEU 70 -0.930 -10.472 -2.997 23 HD12 LEU 70 2HD1 LEU 70 -1.390 -9.455 -4.361 24 HD13 LEU 70 3HD1 LEU 70 -1.203 -8.746 -2.758 25 HD21 LEU 70 1HD2 LEU 70 2.274 -10.293 -4.646 26 HD22 LEU 70 2HD2 LEU 70 0.853 -10.122 -5.678 27 HD23 LEU 70 3HD2 LEU 70 0.841 -11.273 -4.342 28 H SER 71 H SER 71 3.626 -5.830 -3.557 29 HA SER 71 HA SER 71 3.998 -3.529 -3.793 30 HB2 SER 71 2HB SER 71 5.029 -4.476 -5.940 31 HB3 SER 71 3HB SER 71 3.536 -4.005 -6.746 32 HG SER 71 HG SER 71 4.522 -2.147 -6.901 33 H VAL 72 H VAL 72 2.482 -2.311 -2.986 34 HA VAL 72 HA VAL 72 -0.204 -2.172 -4.236 35 HB VAL 72 HB VAL 72 -0.821 -1.037 -2.169 36 HG11 VAL 72 1HG1 VAL 72 -0.788 -3.474 -2.105 37 HG12 VAL 72 2HG1 VAL 72 -0.216 -2.851 -0.557 38 HG13 VAL 72 3HG1 VAL 72 0.939 -3.465 -1.741 39 HG21 VAL 72 1HG2 VAL 72 1.118 0.306 -1.729 40 HG22 VAL 72 2HG2 VAL 72 2.161 -1.116 -1.671 41 HG23 VAL 72 3HG2 VAL 72 0.989 -0.827 -0.384 42 H GLY 73 H GLY 73 2.710 -0.289 -3.786 43 HA2 GLY 73 2HA GLY 73 1.883 2.340 -4.081 44 HA3 GLY 73 3HA GLY 73 3.349 1.720 -4.841 45 H GLY 74 H GLY 74 1.581 -0.227 -6.398 46 HA2 GLY 74 2HA GLY 74 1.375 1.301 -8.794 47 HA3 GLY 74 3HA GLY 74 0.606 -0.264 -8.532 48 H GLN 75 H GLN 75 -1.154 0.299 -6.465 49 HA GLN 75 HA GLN 75 -3.187 1.831 -7.892 50 HB2 GLN 75 2HB GLN 75 -3.158 0.241 -5.326 51 HB3 GLN 75 3HB GLN 75 -4.554 1.216 -5.788 52 HG2 GLN 75 2HG GLN 75 -4.870 -1.075 -6.576 53 HG3 GLN 75 3HG GLN 75 -4.644 -0.006 -7.961 54 HE21 GLN 75 1HE2 GLN 75 -2.803 -2.235 -5.816 55 HE22 GLN 75 2HE2 GLN 75 -1.662 -2.668 -6.996 56 H VAL 76 H VAL 76 -1.469 2.110 -4.773 57 HA VAL 76 HA VAL 76 -2.706 4.507 -3.901 58 HB VAL 76 HB VAL 76 0.221 3.875 -3.472 59 HG11 VAL 76 1HG1 VAL 76 -0.313 4.844 -1.221 60 HG12 VAL 76 2HG1 VAL 76 -1.935 5.209 -1.808 61 HG13 VAL 76 3HG1 VAL 76 -0.535 5.989 -2.543 62 HG21 VAL 76 1HG2 VAL 76 -2.228 2.597 -2.232 63 HG22 VAL 76 2HG2 VAL 76 -0.630 2.524 -1.491 64 HG23 VAL 76 3HG2 VAL 76 -0.906 1.789 -3.071 65 H ASN 77 H ASN 77 0.305 4.072 -5.779 66 HA ASN 77 HA ASN 77 0.798 6.827 -6.220 67 HB2 ASN 77 2HB ASN 77 2.394 4.951 -6.762 68 HB3 ASN 77 3HB ASN 77 1.391 4.578 -8.165 69 HD21 ASN 77 1HD2 ASN 77 2.218 7.822 -6.874 70 HD22 ASN 77 2HD2 ASN 77 3.017 8.347 -8.276 71 H LEU 78 H LEU 78 -0.961 4.464 -8.245 72 HA LEU 78 HA LEU 78 -1.729 6.128 -10.340 73 HB2 LEU 78 2HB LEU 78 -2.313 3.769 -10.328 74 HB3 LEU 78 3HB LEU 78 -3.352 3.992 -8.922 75 HG LEU 78 HG LEU 78 -4.886 5.361 -10.197 76 HD11 LEU 78 1HD1 LEU 78 -3.564 6.625 -11.686 77 HD12 LEU 78 2HD1 LEU 78 -4.403 5.509 -12.761 78 HD13 LEU 78 3HD1 LEU 78 -2.729 5.198 -12.301 79 HD21 LEU 78 1HD2 LEU 78 -4.177 3.011 -11.960 80 HD22 LEU 78 2HD2 LEU 78 -5.774 3.691 -11.652 81 HD23 LEU 78 3HD2 LEU 78 -4.930 2.810 -10.378 82 H LEU 79 H LEU 79 -3.080 5.981 -7.066 83 HA LEU 79 HA LEU 79 -5.266 7.773 -7.618 84 HB2 LEU 79 2HB LEU 79 -4.033 6.547 -5.192 85 HB3 LEU 79 3HB LEU 79 -4.929 8.037 -4.921 86 HG LEU 79 HG LEU 79 -6.873 6.986 -6.170 87 HD11 LEU 79 1HD1 LEU 79 -5.359 5.245 -7.273 88 HD12 LEU 79 2HD1 LEU 79 -6.866 4.633 -6.595 89 HD13 LEU 79 3HD1 LEU 79 -5.352 4.410 -5.721 90 HD21 LEU 79 1HD2 LEU 79 -6.662 7.068 -3.669 91 HD22 LEU 79 2HD2 LEU 79 -5.925 5.466 -3.723 92 HD23 LEU 79 3HD2 LEU 79 -7.594 5.688 -4.249 93 H ILE 80 H ILE 80 -1.899 8.278 -6.570 94 HA ILE 80 HA ILE 80 -2.376 11.080 -5.978 95 HB ILE 80 HB ILE 80 -0.416 9.421 -5.197 96 HG12 ILE 80 2HG1 ILE 80 -0.771 11.604 -4.210 97 HG13 ILE 80 3HG1 ILE 80 0.938 11.451 -4.610 98 HG21 ILE 80 1HG2 ILE 80 0.435 9.401 -7.655 99 HG22 ILE 80 2HG2 ILE 80 1.613 9.595 -6.365 100 HG23 ILE 80 3HG2 ILE 80 1.078 10.995 -7.290 101 HD11 ILE 80 1HD1 ILE 80 0.280 12.594 -6.861 102 HD12 ILE 80 2HD1 ILE 80 0.394 13.594 -5.414 103 HD13 ILE 80 3HD1 ILE 80 -1.183 13.078 -6.004 104 H GLN 81 H GLN 81 -1.390 9.237 -8.787 105 HA GLN 81 HA GLN 81 -0.585 11.551 -10.347 106 HB2 GLN 81 2HB GLN 81 -1.292 8.696 -11.064 107 HB3 GLN 81 3HB GLN 81 -0.831 9.890 -12.276 108 HG2 GLN 81 2HG GLN 81 1.386 9.924 -11.613 109 HG3 GLN 81 3HG GLN 81 0.995 9.650 -9.916 110 HE21 GLN 81 1HE2 GLN 81 0.033 7.328 -9.508 111 HE22 GLN 81 2HE2 GLN 81 0.803 6.054 -10.327 112 H GLN 82 H GLN 82 -3.594 10.009 -9.563 113 HA GLN 82 HA GLN 82 -5.060 11.128 -11.836 114 HB2 GLN 82 2HB GLN 82 -5.839 9.684 -9.300 115 HB3 GLN 82 3HB GLN 82 -7.069 10.439 -10.314 116 HG2 GLN 82 2HG GLN 82 -6.444 9.104 -12.205 117 HG3 GLN 82 3HG GLN 82 -5.017 8.486 -11.370 118 HE21 GLN 82 1HE2 GLN 82 -7.934 8.852 -9.476 119 HE22 GLN 82 2HE2 GLN 82 -8.319 7.201 -9.387 120 H ALA 83 H ALA 83 -5.153 11.747 -8.308 121 HA ALA 83 HA ALA 83 -6.626 14.205 -8.714 122 HB1 ALA 83 1HB ALA 83 -5.198 13.413 -6.174 123 HB2 ALA 83 2HB ALA 83 -6.715 12.655 -6.661 124 HB3 ALA 83 3HB ALA 83 -6.658 14.388 -6.348 125 H ILE 84 H ILE 84 -3.273 13.375 -7.913 126 HA ILE 84 HA ILE 84 -1.345 14.596 -7.922 127 HB ILE 84 HB ILE 84 -2.699 16.549 -9.769 128 HG12 ILE 84 2HG1 ILE 84 -1.420 14.516 -11.325 129 HG13 ILE 84 3HG1 ILE 84 -2.398 13.646 -10.154 130 HG21 ILE 84 1HG2 ILE 84 -0.423 17.048 -9.046 131 HG22 ILE 84 2HG2 ILE 84 -0.417 16.590 -10.747 132 HG23 ILE 84 3HG2 ILE 84 0.102 15.435 -9.519 133 HD11 ILE 84 1HD1 ILE 84 -3.297 15.699 -12.172 134 HD12 ILE 84 2HD1 ILE 84 -4.306 15.215 -10.816 135 HD13 ILE 84 3HD1 ILE 84 -3.818 14.024 -12.017 136 H ASP 85 H ASP 85 -4.254 16.151 -6.906 137 HA ASP 85 HA ASP 85 -2.917 18.600 -6.031 138 HB2 ASP 85 2HB ASP 85 -5.111 19.090 -4.946 139 HB3 ASP 85 3HB ASP 85 -5.260 18.726 -6.664 140 HA PRO 86 HA PRO 86 -1.710 16.547 -2.184 141 HB2 PRO 86 2HB PRO 86 -0.428 18.589 -0.965 142 HB3 PRO 86 3HB PRO 86 0.250 17.799 -2.406 143 HG2 PRO 86 2HG PRO 86 -1.272 20.365 -2.206 144 HG3 PRO 86 3HG PRO 86 0.205 20.007 -3.121 145 HD2 PRO 86 2HD PRO 86 -2.301 20.028 -4.267 146 HD3 PRO 86 3HD PRO 86 -0.959 19.028 -4.872 147 H LYS 87 H LYS 87 -4.073 18.894 -2.534 148 HA LYS 87 HA LYS 87 -4.546 19.599 0.213 149 HB2 LYS 87 2HB LYS 87 -6.644 20.502 -0.554 150 HB3 LYS 87 3HB LYS 87 -5.447 20.840 -1.804 151 HG2 LYS 87 2HG LYS 87 -6.212 18.673 -2.926 152 HG3 LYS 87 3HG LYS 87 -7.570 18.686 -1.803 153 HD2 LYS 87 2HD LYS 87 -7.977 21.108 -2.627 154 HD3 LYS 87 3HD LYS 87 -6.904 20.691 -3.963 155 HE2 LYS 87 2HE LYS 87 -9.397 19.138 -3.203 156 HE3 LYS 87 3HE LYS 87 -9.305 20.308 -4.519 157 HZ1 LYS 87 1HZ LYS 87 -7.899 17.716 -4.273 158 HZ2 LYS 87 2HZ LYS 87 -7.400 18.911 -5.374 159 HZ3 LYS 87 3HZ LYS 87 -8.951 18.229 -5.502 160 H ASN 88 H ASN 88 -5.191 16.808 -1.695 161 HA ASN 88 HA ASN 88 -7.258 15.784 0.164 162 HB2 ASN 88 2HB ASN 88 -7.869 15.040 -1.937 163 HB3 ASN 88 3HB ASN 88 -6.216 15.079 -2.536 164 HD21 ASN 88 1HD2 ASN 88 -4.779 13.235 -1.821 165 HD22 ASN 88 2HD2 ASN 88 -5.486 11.722 -1.514 166 H LEU 89 H LEU 89 -4.168 14.485 -1.124 167 HA LEU 89 HA LEU 89 -3.767 12.459 0.744 168 HB2 LEU 89 2HB LEU 89 -2.269 12.762 -1.155 169 HB3 LEU 89 3HB LEU 89 -1.712 14.305 -0.513 170 HG LEU 89 HG LEU 89 -0.687 13.195 1.400 171 HD11 LEU 89 1HD1 LEU 89 -0.664 10.584 1.275 172 HD12 LEU 89 2HD1 LEU 89 -2.106 10.778 0.279 173 HD13 LEU 89 3HD1 LEU 89 -2.089 11.379 1.937 174 HD21 LEU 89 1HD2 LEU 89 1.076 12.021 0.247 175 HD22 LEU 89 2HD2 LEU 89 0.513 13.303 -0.827 176 HD23 LEU 89 3HD2 LEU 89 0.008 11.635 -1.104 177 H SER 90 H SER 90 -3.527 15.903 1.214 178 HA SER 90 HA SER 90 -2.206 15.580 3.833 179 HB2 SER 90 2HB SER 90 -1.685 17.442 2.118 180 HB3 SER 90 3HB SER 90 -3.189 18.178 2.663 181 HG SER 90 HG SER 90 -0.788 17.724 4.043 182 H ARG 91 H ARG 91 -5.272 16.867 2.515 183 HA ARG 91 HA ARG 91 -6.449 17.627 4.969 184 HB2 ARG 91 2HB ARG 91 -7.525 18.259 2.921 185 HB3 ARG 91 3HB ARG 91 -7.690 16.578 2.412 186 HG2 ARG 91 2HG ARG 91 -9.337 16.135 4.084 187 HG3 ARG 91 3HG ARG 91 -8.987 17.644 4.929 188 HD2 ARG 91 2HD ARG 91 -9.868 18.945 3.069 189 HD3 ARG 91 3HD ARG 91 -10.107 17.479 2.117 190 HE ARG 91 HE ARG 91 -11.524 17.432 4.668 191 HH11 ARG 91 1HH1 ARG 91 -13.779 17.493 4.523 192 HH12 ARG 91 2HH1 ARG 91 -14.525 17.946 3.026 193 HH21 ARG 91 1HH2 ARG 91 -11.518 18.417 1.364 194 HH22 ARG 91 2HH2 ARG 91 -13.246 18.469 1.239 195 H LEU 92 H LEU 92 -6.338 14.423 3.411 196 HA LEU 92 HA LEU 92 -8.139 13.018 5.030 197 HB2 LEU 92 2HB LEU 92 -5.433 12.122 4.002 198 HB3 LEU 92 3HB LEU 92 -6.630 11.033 4.695 199 HG LEU 92 HG LEU 92 -7.194 12.846 2.333 200 HD11 LEU 92 1HD1 LEU 92 -5.381 11.178 1.861 201 HD12 LEU 92 2HD1 LEU 92 -6.835 10.920 0.896 202 HD13 LEU 92 3HD1 LEU 92 -6.509 9.893 2.292 203 HD21 LEU 92 1HD2 LEU 92 -9.282 12.216 3.195 204 HD22 LEU 92 2HD2 LEU 92 -8.698 10.651 3.758 205 HD23 LEU 92 3HD2 LEU 92 -8.984 10.922 2.040 206 H PHE 93 H PHE 93 -5.381 14.706 6.029 207 HA PHE 93 HA PHE 93 -5.649 13.571 8.758 208 HB2 PHE 93 2HB PHE 93 -3.108 13.654 7.127 209 HB3 PHE 93 3HB PHE 93 -3.079 13.605 8.889 210 HD1 PHE 93 1HD PHE 93 -3.794 11.627 10.113 211 HD2 PHE 93 2HD PHE 93 -3.995 11.763 5.824 212 HE1 PHE 93 1HE PHE 93 -4.159 9.174 10.052 213 HE2 PHE 93 2HE PHE 93 -4.358 9.310 5.764 214 HZ PHE 93 HZ PHE 93 -4.441 8.016 7.878 215 HA PRO 94 HA PRO 94 -5.857 18.085 9.397 216 HB2 PRO 94 2HB PRO 94 -4.886 17.159 12.092 217 HB3 PRO 94 3HB PRO 94 -6.138 18.358 11.699 218 HG2 PRO 94 2HG PRO 94 -6.802 15.900 12.446 219 HG3 PRO 94 3HG PRO 94 -7.707 16.743 11.174 220 HD2 PRO 94 2HD PRO 94 -5.790 14.469 10.916 221 HD3 PRO 94 3HD PRO 94 -7.160 14.916 9.873 222 H GLY 95 H GLY 95 -3.097 16.068 9.584 223 HA2 GLY 95 2HA GLY 95 -1.121 17.872 10.550 224 HA3 GLY 95 3HA GLY 95 -0.802 16.513 9.475 225 H TRP 96 H TRP 96 -3.042 18.282 7.823 226 HA TRP 96 HA TRP 96 -1.059 19.291 5.989 227 HB2 TRP 96 2HB TRP 96 -2.848 20.007 4.638 228 HB3 TRP 96 3HB TRP 96 -3.504 18.607 5.479 229 HD1 TRP 96 HD TRP 96 -4.632 19.490 8.033 230 HE1 TRP 96 1HE TRP 96 -6.411 21.336 8.291 231 HE3 TRP 96 3HE TRP 96 -3.931 21.999 3.648 232 HZ2 TRP 96 2HZ TRP 96 -7.398 23.581 6.837 233 HZ3 TRP 96 3HZ TRP 96 -5.302 23.993 3.110 234 HH2 TRP 96 HH TRP 96 -7.034 24.787 4.697 235 H LYS 97 H LYS 97 -2.213 20.447 8.916 236 HA LYS 97 HA LYS 97 -2.341 23.256 8.526 237 HB2 LYS 97 2HB LYS 97 -1.762 23.355 10.971 238 HB3 LYS 97 3HB LYS 97 -3.114 22.293 10.586 239 HG2 LYS 97 2HG LYS 97 -1.559 20.349 10.596 240 HG3 LYS 97 3HG LYS 97 -0.243 21.432 11.040 241 HD2 LYS 97 2HD LYS 97 -0.879 20.660 13.145 242 HD3 LYS 97 3HD LYS 97 -1.874 22.109 13.025 243 HE2 LYS 97 2HE LYS 97 -3.648 20.500 11.962 244 HE3 LYS 97 3HE LYS 97 -2.687 19.226 12.709 245 HZ1 LYS 97 1HZ LYS 97 -4.046 19.694 14.434 246 HZ2 LYS 97 2HZ LYS 97 -4.315 21.301 13.951 247 HZ3 LYS 97 3HZ LYS 97 -2.873 20.879 14.747 248 H ALA 98 H ALA 98 0.320 21.204 8.226 249 HA ALA 98 HA ALA 98 2.281 23.356 8.840 250 HB1 ALA 98 1HB ALA 98 3.950 21.566 8.836 251 HB2 ALA 98 2HB ALA 98 2.724 20.406 8.324 252 HB3 ALA 98 3HB ALA 98 2.628 21.143 9.924 253 H TRP 99 H TRP 99 0.796 21.560 6.331 254 HA TRP 99 HA TRP 99 2.867 21.949 4.367 255 HB2 TRP 99 2HB TRP 99 -0.044 21.182 4.077 256 HB3 TRP 99 3HB TRP 99 1.130 21.155 2.762 257 HD1 TRP 99 HD TRP 99 1.161 19.794 6.412 258 HE1 TRP 99 1HE TRP 99 2.035 17.391 6.350 259 HE3 TRP 99 3HE TRP 99 1.955 19.270 1.391 260 HZ2 TRP 99 2HZ TRP 99 2.968 15.483 4.444 261 HZ3 TRP 99 3HZ TRP 99 2.842 17.140 0.483 262 HH2 TRP 99 HH TRP 99 3.349 15.246 2.002 263 H VAL 100 H VAL 100 1.085 24.196 5.852 264 HA VAL 100 HA VAL 100 -0.216 25.728 3.894 265 HB VAL 100 HB VAL 100 0.193 27.645 5.362 266 HG11 VAL 100 1HG1 VAL 100 -0.136 25.193 7.095 267 HG12 VAL 100 2HG1 VAL 100 -1.401 25.756 6.004 268 HG13 VAL 100 3HG1 VAL 100 -0.856 26.786 7.326 269 HG21 VAL 100 1HG2 VAL 100 1.665 27.261 7.392 270 HG22 VAL 100 2HG2 VAL 100 2.534 27.374 5.861 271 HG23 VAL 100 3HG2 VAL 100 2.248 25.798 6.599 Start of MODEL 11 1 H THR 68 H THR 68 -5.692 -5.510 -4.649 2 HA THR 68 HA THR 68 -5.978 -8.402 -3.985 3 HB THR 68 HB THR 68 -3.868 -7.390 -5.895 4 HG1 THR 68 1HG THR 68 -6.123 -8.770 -6.785 5 HG21 THR 68 1HG2 THR 68 -3.892 -9.825 -6.545 6 HG22 THR 68 2HG2 THR 68 -5.019 -10.115 -5.224 7 HG23 THR 68 3HG2 THR 68 -3.389 -9.542 -4.879 8 H VAL 69 H VAL 69 -2.795 -7.862 -4.544 9 HA VAL 69 HA VAL 69 -2.044 -6.302 -2.242 10 HB VAL 69 HB VAL 69 -2.618 -8.065 -0.819 11 HG11 VAL 69 1HG1 VAL 69 -3.456 -9.631 -2.417 12 HG12 VAL 69 2HG1 VAL 69 -2.214 -10.487 -1.507 13 HG13 VAL 69 3HG1 VAL 69 -1.858 -9.872 -3.121 14 HG21 VAL 69 1HG2 VAL 69 0.086 -9.086 -1.705 15 HG22 VAL 69 2HG2 VAL 69 -0.608 -9.114 -0.081 16 HG23 VAL 69 3HG2 VAL 69 -0.096 -7.585 -0.795 17 H LEU 70 H LEU 70 -1.289 -8.624 -4.721 18 HA LEU 70 HA LEU 70 1.359 -9.006 -4.915 19 HB2 LEU 70 2HB LEU 70 0.039 -7.692 -7.289 20 HB3 LEU 70 3HB LEU 70 1.216 -9.005 -7.271 21 HG LEU 70 HG LEU 70 -1.673 -9.138 -6.383 22 HD11 LEU 70 1HD1 LEU 70 -1.889 -10.739 -8.213 23 HD12 LEU 70 2HD1 LEU 70 -0.169 -10.588 -8.574 24 HD13 LEU 70 3HD1 LEU 70 -1.247 -9.216 -8.828 25 HD21 LEU 70 1HD2 LEU 70 -1.110 -11.604 -6.067 26 HD22 LEU 70 2HD2 LEU 70 -0.421 -10.520 -4.859 27 HD23 LEU 70 3HD2 LEU 70 0.589 -11.141 -6.165 28 H SER 71 H SER 71 -0.091 -5.803 -5.183 29 HA SER 71 HA SER 71 2.464 -4.582 -4.607 30 HB2 SER 71 2HB SER 71 1.285 -4.295 -7.376 31 HB3 SER 71 3HB SER 71 2.469 -3.169 -6.716 32 HG SER 71 HG SER 71 3.964 -4.750 -6.679 33 H VAL 72 H VAL 72 2.093 -2.877 -3.435 34 HA VAL 72 HA VAL 72 -0.633 -1.714 -3.374 35 HB VAL 72 HB VAL 72 0.132 -0.669 -1.280 36 HG11 VAL 72 1HG1 VAL 72 0.602 -3.631 -1.626 37 HG12 VAL 72 2HG1 VAL 72 -0.859 -2.829 -1.051 38 HG13 VAL 72 3HG1 VAL 72 0.588 -2.852 -0.045 39 HG21 VAL 72 1HG2 VAL 72 2.409 -1.575 -0.409 40 HG22 VAL 72 2HG2 VAL 72 2.443 -0.251 -1.570 41 HG23 VAL 72 3HG2 VAL 72 2.763 -1.899 -2.105 42 H GLY 73 H GLY 73 2.767 -0.563 -3.546 43 HA2 GLY 73 2HA GLY 73 2.281 2.161 -3.939 44 HA3 GLY 73 3HA GLY 73 3.633 1.308 -4.680 45 H GLY 74 H GLY 74 1.202 -0.380 -5.893 46 HA2 GLY 74 2HA GLY 74 1.273 1.009 -8.443 47 HA3 GLY 74 3HA GLY 74 0.356 -0.455 -8.089 48 H GLN 75 H GLN 75 -1.420 0.197 -6.206 49 HA GLN 75 HA GLN 75 -3.239 1.944 -7.612 50 HB2 GLN 75 2HB GLN 75 -3.381 0.418 -5.020 51 HB3 GLN 75 3HB GLN 75 -4.673 1.517 -5.509 52 HG2 GLN 75 2HG GLN 75 -3.630 -0.638 -7.353 53 HG3 GLN 75 3HG GLN 75 -4.940 -0.942 -6.212 54 HE21 GLN 75 1HE2 GLN 75 -4.411 -0.144 -9.370 55 HE22 GLN 75 2HE2 GLN 75 -5.827 0.736 -9.691 56 H VAL 76 H VAL 76 -1.018 2.295 -4.952 57 HA VAL 76 HA VAL 76 -2.197 4.724 -3.896 58 HB VAL 76 HB VAL 76 0.673 3.794 -3.648 59 HG11 VAL 76 1HG1 VAL 76 -1.094 5.658 -2.051 60 HG12 VAL 76 2HG1 VAL 76 0.413 6.048 -2.879 61 HG13 VAL 76 3HG1 VAL 76 0.436 5.026 -1.442 62 HG21 VAL 76 1HG2 VAL 76 -1.093 2.062 -2.993 63 HG22 VAL 76 2HG2 VAL 76 -1.615 3.200 -1.752 64 HG23 VAL 76 3HG2 VAL 76 0.018 2.536 -1.708 65 H ASN 77 H ASN 77 0.890 4.229 -5.691 66 HA ASN 77 HA ASN 77 1.331 6.943 -6.297 67 HB2 ASN 77 2HB ASN 77 2.913 6.222 -7.869 68 HB3 ASN 77 3HB ASN 77 2.786 4.812 -6.822 69 HD21 ASN 77 1HD2 ASN 77 1.156 6.121 -9.781 70 HD22 ASN 77 2HD2 ASN 77 1.022 4.613 -10.548 71 H LEU 78 H LEU 78 -0.744 4.589 -7.865 72 HA LEU 78 HA LEU 78 -1.503 6.209 -10.115 73 HB2 LEU 78 2HB LEU 78 -1.935 3.890 -10.292 74 HB3 LEU 78 3HB LEU 78 -2.626 3.819 -8.685 75 HG LEU 78 HG LEU 78 -4.628 5.028 -9.465 76 HD11 LEU 78 1HD1 LEU 78 -3.561 6.379 -11.226 77 HD12 LEU 78 2HD1 LEU 78 -4.888 5.436 -11.903 78 HD13 LEU 78 3HD1 LEU 78 -3.222 4.919 -12.156 79 HD21 LEU 78 1HD2 LEU 78 -4.321 2.484 -9.662 80 HD22 LEU 78 2HD2 LEU 78 -4.017 2.767 -11.380 81 HD23 LEU 78 3HD2 LEU 78 -5.573 3.208 -10.678 82 H LEU 79 H LEU 79 -2.906 5.720 -6.878 83 HA LEU 79 HA LEU 79 -5.230 7.278 -7.218 84 HB2 LEU 79 2HB LEU 79 -3.700 6.163 -4.988 85 HB3 LEU 79 3HB LEU 79 -4.381 7.721 -4.544 86 HG LEU 79 HG LEU 79 -5.940 5.968 -3.938 87 HD11 LEU 79 1HD1 LEU 79 -7.821 7.025 -4.671 88 HD12 LEU 79 2HD1 LEU 79 -7.354 6.953 -6.367 89 HD13 LEU 79 3HD1 LEU 79 -6.666 8.190 -5.314 90 HD21 LEU 79 1HD2 LEU 79 -5.501 4.096 -5.232 91 HD22 LEU 79 2HD2 LEU 79 -5.417 5.007 -6.737 92 HD23 LEU 79 3HD2 LEU 79 -6.980 4.665 -5.999 93 H ILE 80 H ILE 80 -2.073 8.381 -5.903 94 HA ILE 80 HA ILE 80 -2.924 11.114 -5.804 95 HB ILE 80 HB ILE 80 -1.147 10.837 -4.363 96 HG12 ILE 80 2HG1 ILE 80 0.941 11.791 -5.224 97 HG13 ILE 80 3HG1 ILE 80 0.442 11.489 -6.879 98 HG21 ILE 80 1HG2 ILE 80 0.917 9.428 -5.100 99 HG22 ILE 80 2HG2 ILE 80 -0.146 8.849 -6.376 100 HG23 ILE 80 3HG2 ILE 80 -0.582 8.597 -4.692 101 HD11 ILE 80 1HD1 ILE 80 -1.623 13.016 -5.542 102 HD12 ILE 80 2HD1 ILE 80 -0.636 13.469 -6.931 103 HD13 ILE 80 3HD1 ILE 80 -0.061 13.795 -5.301 104 H GLN 81 H GLN 81 -1.191 9.262 -8.320 105 HA GLN 81 HA GLN 81 -0.621 11.556 -9.950 106 HB2 GLN 81 2HB GLN 81 -0.694 8.585 -10.397 107 HB3 GLN 81 3HB GLN 81 -0.718 9.615 -11.824 108 HG2 GLN 81 2HG GLN 81 1.575 9.256 -11.496 109 HG3 GLN 81 3HG GLN 81 1.333 10.811 -10.712 110 HE21 GLN 81 1HE2 GLN 81 0.456 10.335 -8.239 111 HE22 GLN 81 2HE2 GLN 81 1.455 9.262 -7.385 112 H GLN 82 H GLN 82 -3.412 9.328 -9.880 113 HA GLN 82 HA GLN 82 -4.683 10.769 -12.094 114 HB2 GLN 82 2HB GLN 82 -5.001 8.230 -10.801 115 HB3 GLN 82 3HB GLN 82 -6.543 9.062 -10.658 116 HG2 GLN 82 2HG GLN 82 -5.000 8.729 -13.236 117 HG3 GLN 82 3HG GLN 82 -6.346 7.706 -12.736 118 HE21 GLN 82 1HE2 GLN 82 -7.258 10.534 -11.447 119 HE22 GLN 82 2HE2 GLN 82 -8.106 11.228 -12.745 120 H ALA 83 H ALA 83 -4.907 10.726 -8.575 121 HA ALA 83 HA ALA 83 -7.344 12.248 -8.497 122 HB1 ALA 83 1HB ALA 83 -6.939 12.436 -6.110 123 HB2 ALA 83 2HB ALA 83 -5.257 11.951 -6.325 124 HB3 ALA 83 3HB ALA 83 -6.555 10.797 -6.631 125 H ILE 84 H ILE 84 -4.040 13.262 -7.484 126 HA ILE 84 HA ILE 84 -3.170 15.408 -7.274 127 HB ILE 84 HB ILE 84 -4.498 15.891 -9.938 128 HG12 ILE 84 2HG1 ILE 84 -2.138 14.125 -9.210 129 HG13 ILE 84 3HG1 ILE 84 -3.559 13.692 -10.161 130 HG21 ILE 84 1HG2 ILE 84 -1.758 16.619 -8.890 131 HG22 ILE 84 2HG2 ILE 84 -3.160 17.665 -8.675 132 HG23 ILE 84 3HG2 ILE 84 -2.579 17.295 -10.298 133 HD11 ILE 84 1HD1 ILE 84 -1.824 14.037 -11.756 134 HD12 ILE 84 2HD1 ILE 84 -1.270 15.496 -10.941 135 HD13 ILE 84 3HD1 ILE 84 -2.801 15.502 -11.814 136 H ASP 85 H ASP 85 -5.309 15.431 -5.704 137 HA ASP 85 HA ASP 85 -6.367 18.133 -6.039 138 HB2 ASP 85 2HB ASP 85 -7.900 16.353 -7.285 139 HB3 ASP 85 3HB ASP 85 -8.506 16.050 -5.659 140 HA PRO 86 HA PRO 86 -7.192 16.602 -1.656 141 HB2 PRO 86 2HB PRO 86 -6.825 13.987 -0.970 142 HB3 PRO 86 3HB PRO 86 -8.301 14.570 -1.762 143 HG2 PRO 86 2HG PRO 86 -6.160 12.893 -2.854 144 HG3 PRO 86 3HG PRO 86 -7.795 13.166 -3.472 145 HD2 PRO 86 2HD PRO 86 -5.291 14.428 -4.324 146 HD3 PRO 86 3HD PRO 86 -6.894 14.535 -5.083 147 H LYS 87 H LYS 87 -4.565 17.197 -2.833 148 HA LYS 87 HA LYS 87 -2.407 15.823 -1.651 149 HB2 LYS 87 2HB LYS 87 -1.270 18.138 -1.731 150 HB3 LYS 87 3HB LYS 87 -1.881 17.500 -3.258 151 HG2 LYS 87 2HG LYS 87 -3.810 18.891 -3.195 152 HG3 LYS 87 3HG LYS 87 -3.558 19.293 -1.497 153 HD2 LYS 87 2HD LYS 87 -2.856 21.184 -2.854 154 HD3 LYS 87 3HD LYS 87 -1.428 20.444 -2.131 155 HE2 LYS 87 2HE LYS 87 -2.365 19.621 -4.880 156 HE3 LYS 87 3HE LYS 87 -1.346 21.042 -4.658 157 HZ1 LYS 87 1HZ LYS 87 -0.084 19.214 -3.155 158 HZ2 LYS 87 2HZ LYS 87 0.313 19.571 -4.768 159 HZ3 LYS 87 3HZ LYS 87 -0.683 18.243 -4.410 160 H ASN 88 H ASN 88 -4.724 18.028 -0.274 161 HA ASN 88 HA ASN 88 -3.203 18.510 2.166 162 HB2 ASN 88 2HB ASN 88 -4.691 20.253 2.010 163 HB3 ASN 88 3HB ASN 88 -5.783 19.331 0.987 164 HD21 ASN 88 1HD2 ASN 88 -7.413 17.961 2.071 165 HD22 ASN 88 2HD2 ASN 88 -7.838 18.246 3.691 166 H LEU 89 H LEU 89 -6.382 16.919 1.749 167 HA LEU 89 HA LEU 89 -6.424 15.541 4.176 168 HB2 LEU 89 2HB LEU 89 -8.370 15.569 2.761 169 HB3 LEU 89 3HB LEU 89 -7.516 14.736 1.467 170 HG LEU 89 HG LEU 89 -7.530 13.279 4.075 171 HD11 LEU 89 1HD1 LEU 89 -9.798 14.161 4.170 172 HD12 LEU 89 2HD1 LEU 89 -9.859 12.453 3.734 173 HD13 LEU 89 3HD1 LEU 89 -10.087 13.686 2.495 174 HD21 LEU 89 1HD2 LEU 89 -8.105 11.381 2.553 175 HD22 LEU 89 2HD2 LEU 89 -6.650 12.231 2.042 176 HD23 LEU 89 3HD2 LEU 89 -8.174 12.513 1.205 177 H SER 90 H SER 90 -4.539 14.851 1.321 178 HA SER 90 HA SER 90 -3.873 12.141 2.109 179 HB2 SER 90 2HB SER 90 -2.381 12.143 0.239 180 HB3 SER 90 3HB SER 90 -3.808 13.042 -0.264 181 HG SER 90 HG SER 90 -2.677 14.959 0.216 182 H ARG 91 H ARG 91 -2.053 15.233 2.103 183 HA ARG 91 HA ARG 91 0.322 14.316 3.272 184 HB2 ARG 91 2HB ARG 91 -1.162 16.937 3.472 185 HB3 ARG 91 3HB ARG 91 0.318 16.687 4.398 186 HG2 ARG 91 2HG ARG 91 1.565 16.199 2.362 187 HG3 ARG 91 3HG ARG 91 0.093 16.301 1.398 188 HD2 ARG 91 2HD ARG 91 1.062 18.610 3.090 189 HD3 ARG 91 3HD ARG 91 1.588 18.387 1.423 190 HE ARG 91 HE ARG 91 -1.306 18.308 1.676 191 HH11 ARG 91 1HH1 ARG 91 -2.421 20.067 0.795 192 HH12 ARG 91 2HH1 ARG 91 -1.558 21.520 0.416 193 HH21 ARG 91 1HH2 ARG 91 1.505 20.297 1.478 194 HH22 ARG 91 2HH2 ARG 91 0.662 21.651 0.803 195 H LEU 92 H LEU 92 -2.821 14.817 4.774 196 HA LEU 92 HA LEU 92 -2.003 14.818 7.500 197 HB2 LEU 92 2HB LEU 92 -4.502 13.547 6.338 198 HB3 LEU 92 3HB LEU 92 -4.263 14.018 8.019 199 HG LEU 92 HG LEU 92 -4.263 15.901 5.641 200 HD11 LEU 92 1HD1 LEU 92 -6.407 16.626 6.385 201 HD12 LEU 92 2HD1 LEU 92 -6.251 15.764 7.915 202 HD13 LEU 92 3HD1 LEU 92 -6.481 14.864 6.416 203 HD21 LEU 92 1HD2 LEU 92 -2.852 16.949 7.200 204 HD22 LEU 92 2HD2 LEU 92 -3.703 16.264 8.584 205 HD23 LEU 92 3HD2 LEU 92 -4.428 17.584 7.666 206 H PHE 93 H PHE 93 -2.356 12.186 5.185 207 HA PHE 93 HA PHE 93 -2.161 10.061 7.112 208 HB2 PHE 93 2HB PHE 93 -1.747 10.272 4.136 209 HB3 PHE 93 3HB PHE 93 -1.244 8.803 4.965 210 HD1 PHE 93 1HD PHE 93 -4.179 11.146 5.241 211 HD2 PHE 93 2HD PHE 93 -2.827 7.090 4.793 212 HE1 PHE 93 1HE PHE 93 -6.528 10.360 5.265 213 HE2 PHE 93 2HE PHE 93 -5.179 6.308 4.815 214 HZ PHE 93 HZ PHE 93 -7.029 7.942 5.051 215 HA PRO 94 HA PRO 94 2.171 10.332 8.021 216 HB2 PRO 94 2HB PRO 94 2.775 7.779 8.725 217 HB3 PRO 94 3HB PRO 94 1.702 8.798 9.707 218 HG2 PRO 94 2HG PRO 94 0.987 6.687 7.712 219 HG3 PRO 94 3HG PRO 94 0.321 6.971 9.332 220 HD2 PRO 94 2HD PRO 94 -0.937 7.828 7.059 221 HD3 PRO 94 3HD PRO 94 -1.063 8.690 8.610 222 H GLY 95 H GLY 95 1.125 8.346 5.385 223 HA2 GLY 95 2HA GLY 95 3.710 7.344 4.577 224 HA3 GLY 95 3HA GLY 95 2.283 7.435 3.548 225 H TRP 96 H TRP 96 2.388 10.471 4.505 226 HA TRP 96 HA TRP 96 3.901 11.346 2.124 227 HB2 TRP 96 2HB TRP 96 2.029 12.715 4.059 228 HB3 TRP 96 3HB TRP 96 2.976 13.638 2.894 229 HD1 TRP 96 HD TRP 96 0.605 10.567 2.837 230 HE1 TRP 96 1HE TRP 96 -0.790 10.684 0.667 231 HE3 TRP 96 3HE TRP 96 2.598 14.768 0.723 232 HZ2 TRP 96 2HZ TRP 96 -1.025 12.333 -1.650 233 HZ3 TRP 96 3HZ TRP 96 1.770 15.589 -1.463 234 HH2 TRP 96 HH TRP 96 -0.040 14.379 -2.651 235 H LYS 97 H LYS 97 4.591 10.830 5.365 236 HA LYS 97 HA LYS 97 6.068 13.031 6.228 237 HB2 LYS 97 2HB LYS 97 7.506 11.323 7.453 238 HB3 LYS 97 3HB LYS 97 5.774 11.230 7.743 239 HG2 LYS 97 2HG LYS 97 6.109 8.992 7.301 240 HG3 LYS 97 3HG LYS 97 5.951 9.522 5.634 241 HD2 LYS 97 2HD LYS 97 8.582 9.939 5.882 242 HD3 LYS 97 3HD LYS 97 8.410 8.714 7.139 243 HE2 LYS 97 2HE LYS 97 7.300 7.214 5.519 244 HE3 LYS 97 3HE LYS 97 7.494 8.435 4.263 245 HZ1 LYS 97 1HZ LYS 97 9.420 6.591 5.343 246 HZ2 LYS 97 2HZ LYS 97 9.992 8.190 5.279 247 HZ3 LYS 97 3HZ LYS 97 9.432 7.428 3.867 248 H ALA 98 H ALA 98 6.889 10.834 3.655 249 HA ALA 98 HA ALA 98 9.615 12.041 3.485 250 HB1 ALA 98 1HB ALA 98 9.659 9.612 3.782 251 HB2 ALA 98 2HB ALA 98 10.194 10.030 2.154 252 HB3 ALA 98 3HB ALA 98 8.561 9.417 2.415 253 H TRP 99 H TRP 99 6.561 11.644 1.947 254 HA TRP 99 HA TRP 99 7.483 12.155 -0.729 255 HB2 TRP 99 2HB TRP 99 4.706 12.617 0.369 256 HB3 TRP 99 3HB TRP 99 5.150 12.402 -1.319 257 HD1 TRP 99 HD TRP 99 7.277 9.990 0.238 258 HE1 TRP 99 1HE TRP 99 6.210 7.653 0.340 259 HE3 TRP 99 3HE TRP 99 2.396 11.194 -0.684 260 HZ2 TRP 99 2HZ TRP 99 3.644 6.445 0.064 261 HZ3 TRP 99 3HZ TRP 99 0.662 9.425 -0.761 262 HH2 TRP 99 HH TRP 99 1.279 7.053 -0.388 263 H VAL 100 H VAL 100 7.109 14.143 1.994 264 HA VAL 100 HA VAL 100 6.195 16.584 0.959 265 HB VAL 100 HB VAL 100 7.814 17.593 2.673 266 HG11 VAL 100 1HG1 VAL 100 6.538 16.580 4.592 267 HG12 VAL 100 2HG1 VAL 100 5.860 15.414 3.455 268 HG13 VAL 100 3HG1 VAL 100 5.511 17.132 3.269 269 HG21 VAL 100 1HG2 VAL 100 9.383 15.567 2.439 270 HG22 VAL 100 2HG2 VAL 100 8.226 14.701 3.449 271 HG23 VAL 100 3HG2 VAL 100 9.052 16.124 4.078 Start of MODEL 12 1 H THR 68 H THR 68 -1.682 -10.843 -1.850 2 HA THR 68 HA THR 68 -0.885 -8.869 -3.616 3 HB THR 68 HB THR 68 -0.048 -8.836 -0.713 4 HG1 THR 68 1HG THR 68 -2.596 -8.426 -1.878 5 HG21 THR 68 1HG2 THR 68 -0.973 -6.708 -2.661 6 HG22 THR 68 2HG2 THR 68 0.663 -6.913 -2.036 7 HG23 THR 68 3HG2 THR 68 -0.641 -6.428 -0.953 8 H VAL 69 H VAL 69 1.089 -7.940 -4.250 9 HA VAL 69 HA VAL 69 3.632 -8.615 -3.147 10 HB VAL 69 HB VAL 69 3.382 -10.814 -4.059 11 HG11 VAL 69 1HG1 VAL 69 2.607 -11.281 -6.292 12 HG12 VAL 69 2HG1 VAL 69 2.637 -9.575 -6.722 13 HG13 VAL 69 3HG1 VAL 69 1.447 -10.172 -5.571 14 HG21 VAL 69 1HG2 VAL 69 5.521 -9.494 -4.611 15 HG22 VAL 69 2HG2 VAL 69 4.861 -9.333 -6.239 16 HG23 VAL 69 3HG2 VAL 69 5.207 -10.934 -5.581 17 H LEU 70 H LEU 70 2.032 -7.898 -6.240 18 HA LEU 70 HA LEU 70 4.015 -6.413 -7.507 19 HB2 LEU 70 2HB LEU 70 1.092 -5.614 -7.440 20 HB3 LEU 70 3HB LEU 70 2.259 -5.262 -8.714 21 HG LEU 70 HG LEU 70 1.307 -8.026 -7.898 22 HD11 LEU 70 1HD1 LEU 70 0.202 -8.026 -10.095 23 HD12 LEU 70 2HD1 LEU 70 0.789 -6.391 -10.403 24 HD13 LEU 70 3HD1 LEU 70 -0.381 -6.680 -9.115 25 HD21 LEU 70 1HD2 LEU 70 3.373 -7.033 -9.867 26 HD22 LEU 70 2HD2 LEU 70 2.532 -8.556 -10.150 27 HD23 LEU 70 3HD2 LEU 70 3.504 -8.345 -8.697 28 H SER 71 H SER 71 2.615 -5.711 -4.501 29 HA SER 71 HA SER 71 3.085 -3.928 -3.031 30 HB2 SER 71 2HB SER 71 4.896 -2.563 -3.474 31 HB3 SER 71 3HB SER 71 5.201 -3.779 -4.710 32 HG SER 71 HG SER 71 5.063 -1.386 -5.268 33 H VAL 72 H VAL 72 1.573 -2.560 -2.483 34 HA VAL 72 HA VAL 72 -0.534 -1.761 -4.198 35 HB VAL 72 HB VAL 72 -1.174 -0.292 -2.320 36 HG11 VAL 72 1HG1 VAL 72 -0.113 -3.034 -1.605 37 HG12 VAL 72 2HG1 VAL 72 -1.760 -2.617 -2.081 38 HG13 VAL 72 3HG1 VAL 72 -1.129 -2.080 -0.524 39 HG21 VAL 72 1HG2 VAL 72 1.587 -1.030 -1.316 40 HG22 VAL 72 2HG2 VAL 72 0.352 -0.259 -0.319 41 HG23 VAL 72 3HG2 VAL 72 1.010 0.588 -1.718 42 H GLY 73 H GLY 73 2.566 -0.280 -3.534 43 HA2 GLY 73 2HA GLY 73 2.230 2.404 -4.082 44 HA3 GLY 73 3HA GLY 73 3.616 1.499 -4.687 45 H GLY 74 H GLY 74 1.487 -0.180 -6.230 46 HA2 GLY 74 2HA GLY 74 1.679 1.393 -8.679 47 HA3 GLY 74 3HA GLY 74 0.918 -0.192 -8.523 48 H GLN 75 H GLN 75 -1.062 0.160 -6.718 49 HA GLN 75 HA GLN 75 -2.998 1.703 -8.206 50 HB2 GLN 75 2HB GLN 75 -3.080 0.183 -5.599 51 HB3 GLN 75 3HB GLN 75 -4.471 1.097 -6.182 52 HG2 GLN 75 2HG GLN 75 -4.732 -0.262 -8.089 53 HG3 GLN 75 3HG GLN 75 -3.087 -0.890 -7.984 54 HE21 GLN 75 1HE2 GLN 75 -2.628 -2.444 -6.189 55 HE22 GLN 75 2HE2 GLN 75 -3.897 -3.356 -5.524 56 H VAL 76 H VAL 76 -1.184 2.134 -5.218 57 HA VAL 76 HA VAL 76 -2.545 4.511 -4.348 58 HB VAL 76 HB VAL 76 0.357 3.781 -3.857 59 HG11 VAL 76 1HG1 VAL 76 0.148 5.132 -1.893 60 HG12 VAL 76 2HG1 VAL 76 -1.602 5.244 -2.075 61 HG13 VAL 76 3HG1 VAL 76 -0.541 6.080 -3.210 62 HG21 VAL 76 1HG2 VAL 76 -0.387 2.486 -1.956 63 HG22 VAL 76 2HG2 VAL 76 -1.277 1.902 -3.362 64 HG23 VAL 76 3HG2 VAL 76 -2.059 2.982 -2.209 65 H ASN 77 H ASN 77 0.549 4.039 -6.103 66 HA ASN 77 HA ASN 77 1.112 6.742 -6.648 67 HB2 ASN 77 2HB ASN 77 2.705 5.000 -7.239 68 HB3 ASN 77 3HB ASN 77 1.566 4.302 -8.392 69 HD21 ASN 77 1HD2 ASN 77 1.968 7.812 -8.031 70 HD22 ASN 77 2HD2 ASN 77 2.687 8.058 -9.548 71 H LEU 78 H LEU 78 -1.247 4.583 -8.120 72 HA LEU 78 HA LEU 78 -1.874 6.350 -10.343 73 HB2 LEU 78 2HB LEU 78 -2.832 3.790 -9.243 74 HB3 LEU 78 3HB LEU 78 -4.158 4.774 -9.849 75 HG LEU 78 HG LEU 78 -2.905 5.026 -12.011 76 HD11 LEU 78 1HD1 LEU 78 -1.160 2.766 -11.017 77 HD12 LEU 78 2HD1 LEU 78 -0.652 4.447 -10.879 78 HD13 LEU 78 3HD1 LEU 78 -0.958 3.747 -12.467 79 HD21 LEU 78 1HD2 LEU 78 -4.644 3.373 -11.916 80 HD22 LEU 78 2HD2 LEU 78 -3.629 2.265 -10.989 81 HD23 LEU 78 3HD2 LEU 78 -3.262 2.591 -12.684 82 H LEU 79 H LEU 79 -3.374 5.686 -7.183 83 HA LEU 79 HA LEU 79 -5.569 7.401 -7.308 84 HB2 LEU 79 2HB LEU 79 -4.042 6.065 -5.239 85 HB3 LEU 79 3HB LEU 79 -4.473 7.669 -4.665 86 HG LEU 79 HG LEU 79 -6.869 7.136 -5.408 87 HD11 LEU 79 1HD1 LEU 79 -5.798 4.299 -5.377 88 HD12 LEU 79 2HD1 LEU 79 -6.154 5.189 -6.856 89 HD13 LEU 79 3HD1 LEU 79 -7.450 4.810 -5.722 90 HD21 LEU 79 1HD2 LEU 79 -6.160 7.105 -3.051 91 HD22 LEU 79 2HD2 LEU 79 -5.582 5.449 -3.238 92 HD23 LEU 79 3HD2 LEU 79 -7.306 5.801 -3.365 93 H ILE 80 H ILE 80 -2.233 8.324 -6.298 94 HA ILE 80 HA ILE 80 -3.029 11.074 -5.965 95 HB ILE 80 HB ILE 80 -1.170 10.422 -4.683 96 HG12 ILE 80 2HG1 ILE 80 -1.029 12.651 -6.224 97 HG13 ILE 80 3HG1 ILE 80 0.231 12.212 -5.081 98 HG21 ILE 80 1HG2 ILE 80 0.949 9.573 -5.884 99 HG22 ILE 80 2HG2 ILE 80 -0.120 9.270 -7.247 100 HG23 ILE 80 3HG2 ILE 80 -0.406 8.457 -5.714 101 HD11 ILE 80 1HD1 ILE 80 0.939 12.845 -7.493 102 HD12 ILE 80 2HD1 ILE 80 0.350 11.249 -7.940 103 HD13 ILE 80 3HD1 ILE 80 1.658 11.406 -6.776 104 H GLN 81 H GLN 81 -1.357 9.321 -8.615 105 HA GLN 81 HA GLN 81 -0.763 11.461 -10.296 106 HB2 GLN 81 2HB GLN 81 -1.266 8.598 -10.585 107 HB3 GLN 81 3HB GLN 81 -1.882 9.461 -11.990 108 HG2 GLN 81 2HG GLN 81 0.480 8.753 -12.261 109 HG3 GLN 81 3HG GLN 81 0.289 10.500 -12.349 110 HE21 GLN 81 1HE2 GLN 81 0.030 8.990 -9.205 111 HE22 GLN 81 2HE2 GLN 81 1.542 9.495 -8.624 112 H GLN 82 H GLN 82 -3.866 10.228 -9.346 113 HA GLN 82 HA GLN 82 -5.297 11.863 -11.385 114 HB2 GLN 82 2HB GLN 82 -6.067 9.708 -9.427 115 HB3 GLN 82 3HB GLN 82 -7.316 10.799 -10.028 116 HG2 GLN 82 2HG GLN 82 -6.741 10.216 -12.331 117 HG3 GLN 82 3HG GLN 82 -5.462 9.147 -11.754 118 HE21 GLN 82 1HE2 GLN 82 -7.773 8.840 -9.435 119 HE22 GLN 82 2HE2 GLN 82 -8.661 7.536 -10.065 120 H ALA 83 H ALA 83 -4.669 11.699 -7.925 121 HA ALA 83 HA ALA 83 -6.460 13.955 -7.395 122 HB1 ALA 83 1HB ALA 83 -6.161 13.470 -5.115 123 HB2 ALA 83 2HB ALA 83 -4.612 12.675 -5.397 124 HB3 ALA 83 3HB ALA 83 -6.110 11.889 -5.895 125 H ILE 84 H ILE 84 -3.273 13.571 -8.336 126 HA ILE 84 HA ILE 84 -1.296 14.837 -7.558 127 HB ILE 84 HB ILE 84 -2.576 16.727 -9.510 128 HG12 ILE 84 2HG1 ILE 84 -1.905 14.796 -11.243 129 HG13 ILE 84 3HG1 ILE 84 -2.297 13.750 -9.881 130 HG21 ILE 84 1HG2 ILE 84 0.047 15.223 -9.617 131 HG22 ILE 84 2HG2 ILE 84 -0.142 16.765 -8.783 132 HG23 ILE 84 3HG2 ILE 84 -0.406 16.666 -10.524 133 HD11 ILE 84 1HD1 ILE 84 -4.100 15.765 -11.249 134 HD12 ILE 84 2HD1 ILE 84 -4.508 15.022 -9.706 135 HD13 ILE 84 3HD1 ILE 84 -4.325 14.021 -11.144 136 H ASP 85 H ASP 85 -3.831 17.216 -8.154 137 HA ASP 85 HA ASP 85 -4.132 19.348 -7.148 138 HB2 ASP 85 2HB ASP 85 -5.498 17.781 -5.812 139 HB3 ASP 85 3HB ASP 85 -4.123 17.505 -4.743 140 HA PRO 86 HA PRO 86 0.210 19.763 -5.427 141 HB2 PRO 86 2HB PRO 86 1.466 20.927 -7.509 142 HB3 PRO 86 3HB PRO 86 1.214 19.170 -7.452 143 HG2 PRO 86 2HG PRO 86 -0.316 21.249 -8.958 144 HG3 PRO 86 3HG PRO 86 0.206 19.638 -9.482 145 HD2 PRO 86 2HD PRO 86 -2.358 20.220 -8.569 146 HD3 PRO 86 3HD PRO 86 -1.629 18.601 -8.534 147 H LYS 87 H LYS 87 -2.216 21.801 -6.661 148 HA LYS 87 HA LYS 87 -1.052 24.375 -6.483 149 HB2 LYS 87 2HB LYS 87 -3.344 25.200 -6.196 150 HB3 LYS 87 3HB LYS 87 -3.308 23.925 -7.416 151 HG2 LYS 87 2HG LYS 87 -3.880 22.294 -5.534 152 HG3 LYS 87 3HG LYS 87 -4.220 23.710 -4.540 153 HD2 LYS 87 2HD LYS 87 -5.525 23.138 -7.218 154 HD3 LYS 87 3HD LYS 87 -6.264 22.798 -5.653 155 HE2 LYS 87 2HE LYS 87 -5.834 25.298 -5.127 156 HE3 LYS 87 3HE LYS 87 -5.591 25.479 -6.865 157 HZ1 LYS 87 1HZ LYS 87 -7.778 25.564 -7.080 158 HZ2 LYS 87 2HZ LYS 87 -8.009 25.247 -5.426 159 HZ3 LYS 87 3HZ LYS 87 -7.884 23.963 -6.532 160 H ASN 88 H ASN 88 -1.944 22.139 -3.964 161 HA ASN 88 HA ASN 88 -2.143 24.154 -1.874 162 HB2 ASN 88 2HB ASN 88 -2.328 22.325 -0.342 163 HB3 ASN 88 3HB ASN 88 -3.187 21.831 -1.799 164 HD21 ASN 88 1HD2 ASN 88 -1.837 20.445 -3.378 165 HD22 ASN 88 2HD2 ASN 88 -0.701 19.377 -2.708 166 H LEU 89 H LEU 89 0.354 21.709 -2.661 167 HA LEU 89 HA LEU 89 2.245 22.816 -0.776 168 HB2 LEU 89 2HB LEU 89 2.351 20.465 -1.506 169 HB3 LEU 89 3HB LEU 89 2.668 20.983 -3.159 170 HG LEU 89 HG LEU 89 4.773 22.046 -2.432 171 HD11 LEU 89 1HD1 LEU 89 5.506 21.292 -0.014 172 HD12 LEU 89 2HD1 LEU 89 3.769 21.184 0.277 173 HD13 LEU 89 3HD1 LEU 89 4.491 22.719 -0.207 174 HD21 LEU 89 1HD2 LEU 89 4.614 19.208 -1.382 175 HD22 LEU 89 2HD2 LEU 89 6.012 20.010 -2.101 176 HD23 LEU 89 3HD2 LEU 89 4.617 19.602 -3.102 177 H SER 90 H SER 90 1.353 23.578 -4.040 178 HA SER 90 HA SER 90 3.842 24.975 -4.643 179 HB2 SER 90 2HB SER 90 1.212 25.081 -6.130 180 HB3 SER 90 3HB SER 90 2.794 25.550 -6.743 181 HG SER 90 HG SER 90 3.036 23.105 -5.810 182 H ARG 91 H ARG 91 0.462 25.964 -3.964 183 HA ARG 91 HA ARG 91 1.038 28.768 -4.125 184 HB2 ARG 91 2HB ARG 91 -1.143 29.124 -3.154 185 HB3 ARG 91 3HB ARG 91 -1.251 27.773 -4.275 186 HG2 ARG 91 2HG ARG 91 -2.286 26.704 -2.528 187 HG3 ARG 91 3HG ARG 91 -0.646 26.434 -1.950 188 HD2 ARG 91 2HD ARG 91 -2.097 27.372 -0.174 189 HD3 ARG 91 3HD ARG 91 -0.796 28.489 -0.579 190 HE ARG 91 HE ARG 91 -3.310 28.925 -2.043 191 HH11 ARG 91 1HH1 ARG 91 -4.261 30.942 -1.689 192 HH12 ARG 91 2HH1 ARG 91 -3.704 31.932 -0.380 193 HH21 ARG 91 1HH2 ARG 91 -1.324 29.649 0.688 194 HH22 ARG 91 2HH2 ARG 91 -2.044 31.198 0.964 195 H LEU 92 H LEU 92 1.113 26.483 -1.401 196 HA LEU 92 HA LEU 92 1.534 28.511 0.609 197 HB2 LEU 92 2HB LEU 92 2.325 25.584 0.618 198 HB3 LEU 92 3HB LEU 92 2.299 26.633 2.033 199 HG LEU 92 HG LEU 92 -0.139 26.185 0.305 200 HD11 LEU 92 1HD1 LEU 92 -0.856 24.502 1.964 201 HD12 LEU 92 2HD1 LEU 92 0.686 24.678 2.803 202 HD13 LEU 92 3HD1 LEU 92 0.642 24.011 1.171 203 HD21 LEU 92 1HD2 LEU 92 -1.233 26.772 2.573 204 HD22 LEU 92 2HD2 LEU 92 -0.450 28.085 1.703 205 HD23 LEU 92 3HD2 LEU 92 0.366 27.322 3.066 206 H PHE 93 H PHE 93 3.387 27.999 -1.968 207 HA PHE 93 HA PHE 93 5.808 28.942 -0.559 208 HB2 PHE 93 2HB PHE 93 5.659 26.381 -2.151 209 HB3 PHE 93 3HB PHE 93 7.182 27.246 -1.949 210 HD1 PHE 93 1HD PHE 93 8.188 27.530 0.286 211 HD2 PHE 93 2HD PHE 93 4.601 25.240 -0.292 212 HE1 PHE 93 1HE PHE 93 8.464 26.531 2.537 213 HE2 PHE 93 2HE PHE 93 4.877 24.240 1.962 214 HZ PHE 93 HZ PHE 93 6.810 24.887 3.376 215 HA PRO 94 HA PRO 94 6.420 31.775 -3.911 216 HB2 PRO 94 2HB PRO 94 9.028 30.327 -4.290 217 HB3 PRO 94 3HB PRO 94 8.707 32.075 -4.283 218 HG2 PRO 94 2HG PRO 94 9.715 30.825 -2.140 219 HG3 PRO 94 3HG PRO 94 8.583 32.181 -1.986 220 HD2 PRO 94 2HD PRO 94 8.126 29.312 -1.400 221 HD3 PRO 94 3HD PRO 94 7.211 30.733 -0.851 222 H GLY 95 H GLY 95 6.808 28.365 -4.383 223 HA2 GLY 95 2HA GLY 95 7.304 27.920 -7.017 224 HA3 GLY 95 3HA GLY 95 6.058 27.022 -6.165 225 H TRP 96 H TRP 96 4.120 29.120 -5.837 226 HA TRP 96 HA TRP 96 3.196 29.222 -8.650 227 HB2 TRP 96 2HB TRP 96 1.031 29.372 -7.842 228 HB3 TRP 96 3HB TRP 96 1.815 28.485 -6.540 229 HD1 TRP 96 HD TRP 96 3.104 30.563 -4.788 230 HE1 TRP 96 1HE TRP 96 1.746 32.405 -3.600 231 HE3 TRP 96 3HE TRP 96 -1.077 30.638 -7.721 232 HZ2 TRP 96 2HZ TRP 96 -0.754 33.739 -3.853 233 HZ3 TRP 96 3HZ TRP 96 -2.932 32.207 -7.224 234 HH2 TRP 96 HH TRP 96 -2.777 33.757 -5.295 235 H LYS 97 H LYS 97 4.263 31.515 -6.185 236 HA LYS 97 HA LYS 97 3.178 33.893 -7.209 237 HB2 LYS 97 2HB LYS 97 6.066 33.681 -6.331 238 HB3 LYS 97 3HB LYS 97 5.012 35.087 -6.230 239 HG2 LYS 97 2HG LYS 97 4.433 32.516 -4.747 240 HG3 LYS 97 3HG LYS 97 5.389 33.822 -4.055 241 HD2 LYS 97 2HD LYS 97 3.482 35.368 -4.397 242 HD3 LYS 97 3HD LYS 97 2.523 34.021 -5.011 243 HE2 LYS 97 2HE LYS 97 1.909 34.031 -2.758 244 HE3 LYS 97 3HE LYS 97 3.222 32.851 -2.762 245 HZ1 LYS 97 1HZ LYS 97 3.334 34.613 -0.996 246 HZ2 LYS 97 2HZ LYS 97 3.651 35.737 -2.231 247 HZ3 LYS 97 3HZ LYS 97 4.727 34.452 -1.952 248 H ALA 98 H ALA 98 5.126 31.700 -8.902 249 HA ALA 98 HA ALA 98 6.112 33.796 -10.772 250 HB1 ALA 98 1HB ALA 98 6.832 30.861 -10.603 251 HB2 ALA 98 2HB ALA 98 7.763 32.155 -9.846 252 HB3 ALA 98 3HB ALA 98 7.624 32.081 -11.603 253 H TRP 99 H TRP 99 3.856 31.241 -10.357 254 HA TRP 99 HA TRP 99 3.501 30.652 -13.149 255 HB2 TRP 99 2HB TRP 99 1.585 30.166 -10.858 256 HB3 TRP 99 3HB TRP 99 1.528 29.397 -12.441 257 HD1 TRP 99 HD TRP 99 5.071 29.569 -11.714 258 HE1 TRP 99 1HE TRP 99 5.938 27.406 -10.645 259 HE3 TRP 99 3HE TRP 99 0.639 27.379 -10.406 260 HZ2 TRP 99 2HZ TRP 99 4.914 25.047 -9.417 261 HZ3 TRP 99 3HZ TRP 99 0.621 25.165 -9.291 262 HH2 TRP 99 HH TRP 99 2.752 23.996 -8.795 263 H VAL 100 H VAL 100 2.236 33.041 -10.960 264 HA VAL 100 HA VAL 100 -0.148 33.778 -12.264 265 HB VAL 100 HB VAL 100 0.141 35.943 -11.186 266 HG11 VAL 100 1HG1 VAL 100 1.404 33.878 -9.377 267 HG12 VAL 100 2HG1 VAL 100 -0.302 33.826 -9.821 268 HG13 VAL 100 3HG1 VAL 100 0.335 35.205 -8.924 269 HG21 VAL 100 1HG2 VAL 100 2.352 36.360 -9.984 270 HG22 VAL 100 2HG2 VAL 100 2.410 36.486 -11.742 271 HG23 VAL 100 3HG2 VAL 100 3.016 35.037 -10.942 Start of MODEL 13 1 H THR 68 H THR 68 5.226 -10.483 1.589 2 HA THR 68 HA THR 68 4.868 -8.811 -0.756 3 HB THR 68 HB THR 68 4.021 -11.660 -0.160 4 HG1 THR 68 1HG THR 68 5.931 -12.076 -0.890 5 HG21 THR 68 1HG2 THR 68 3.644 -9.941 -2.622 6 HG22 THR 68 2HG2 THR 68 2.437 -10.910 -1.778 7 HG23 THR 68 3HG2 THR 68 3.702 -11.702 -2.721 8 H VAL 69 H VAL 69 3.001 -7.978 -1.579 9 HA VAL 69 HA VAL 69 0.417 -8.565 -0.321 10 HB VAL 69 HB VAL 69 -0.095 -6.251 0.161 11 HG11 VAL 69 1HG1 VAL 69 2.711 -6.777 1.175 12 HG12 VAL 69 2HG1 VAL 69 1.273 -7.563 1.829 13 HG13 VAL 69 3HG1 VAL 69 1.457 -5.815 1.959 14 HG21 VAL 69 1HG2 VAL 69 2.532 -5.745 -1.247 15 HG22 VAL 69 2HG2 VAL 69 1.864 -4.560 -0.125 16 HG23 VAL 69 3HG2 VAL 69 0.957 -5.020 -1.560 17 H LEU 70 H LEU 70 -1.332 -7.404 -1.635 18 HA LEU 70 HA LEU 70 -1.138 -8.082 -4.371 19 HB2 LEU 70 2HB LEU 70 -2.937 -5.918 -3.276 20 HB3 LEU 70 3HB LEU 70 -3.241 -6.977 -4.652 21 HG LEU 70 HG LEU 70 -3.083 -7.796 -1.737 22 HD11 LEU 70 1HD1 LEU 70 -5.429 -8.349 -2.008 23 HD12 LEU 70 2HD1 LEU 70 -5.361 -7.968 -3.729 24 HD13 LEU 70 3HD1 LEU 70 -5.187 -6.683 -2.534 25 HD21 LEU 70 1HD2 LEU 70 -3.831 -10.051 -2.771 26 HD22 LEU 70 2HD2 LEU 70 -2.131 -9.617 -2.926 27 HD23 LEU 70 3HD2 LEU 70 -3.222 -9.405 -4.295 28 H SER 71 H SER 71 0.772 -5.874 -3.063 29 HA SER 71 HA SER 71 2.125 -4.227 -4.020 30 HB2 SER 71 2HB SER 71 0.498 -4.137 -6.541 31 HB3 SER 71 3HB SER 71 2.243 -4.052 -6.332 32 HG SER 71 HG SER 71 2.353 -6.169 -6.353 33 H VAL 72 H VAL 72 1.742 -2.482 -2.916 34 HA VAL 72 HA VAL 72 -0.833 -1.039 -3.168 35 HB VAL 72 HB VAL 72 -0.043 0.183 -1.208 36 HG11 VAL 72 1HG1 VAL 72 0.202 -1.767 0.344 37 HG12 VAL 72 2HG1 VAL 72 0.402 -2.807 -1.066 38 HG13 VAL 72 3HG1 VAL 72 -1.122 -1.960 -0.804 39 HG21 VAL 72 1HG2 VAL 72 2.182 -0.676 -0.192 40 HG22 VAL 72 2HG2 VAL 72 2.291 0.444 -1.546 41 HG23 VAL 72 3HG2 VAL 72 2.527 -1.286 -1.811 42 H GLY 73 H GLY 73 2.677 -0.395 -3.474 43 HA2 GLY 73 2HA GLY 73 2.616 2.298 -4.185 44 HA3 GLY 73 3HA GLY 73 3.779 1.156 -4.859 45 H GLY 74 H GLY 74 1.102 -0.259 -5.836 46 HA2 GLY 74 2HA GLY 74 1.221 0.987 -8.495 47 HA3 GLY 74 3HA GLY 74 0.311 -0.460 -8.067 48 H GLN 75 H GLN 75 -1.565 0.101 -6.398 49 HA GLN 75 HA GLN 75 -3.298 1.948 -7.769 50 HB2 GLN 75 2HB GLN 75 -3.560 0.415 -5.175 51 HB3 GLN 75 3HB GLN 75 -4.827 1.487 -5.772 52 HG2 GLN 75 2HG GLN 75 -5.368 -0.726 -6.541 53 HG3 GLN 75 3HG GLN 75 -4.777 0.168 -7.942 54 HE21 GLN 75 1HE2 GLN 75 -2.851 -0.582 -8.954 55 HE22 GLN 75 2HE2 GLN 75 -1.975 -1.929 -8.412 56 H VAL 76 H VAL 76 -0.866 2.385 -5.492 57 HA VAL 76 HA VAL 76 -2.119 4.777 -4.263 58 HB VAL 76 HB VAL 76 0.619 3.540 -3.835 59 HG11 VAL 76 1HG1 VAL 76 -0.935 5.690 -2.370 60 HG12 VAL 76 2HG1 VAL 76 0.619 5.868 -3.186 61 HG13 VAL 76 3HG1 VAL 76 0.501 4.905 -1.714 62 HG21 VAL 76 1HG2 VAL 76 -1.746 3.387 -1.957 63 HG22 VAL 76 2HG2 VAL 76 -0.292 2.390 -1.977 64 HG23 VAL 76 3HG2 VAL 76 -1.522 2.179 -3.223 65 H ASN 77 H ASN 77 1.075 4.127 -5.801 66 HA ASN 77 HA ASN 77 1.668 6.818 -6.379 67 HB2 ASN 77 2HB ASN 77 3.318 6.017 -7.870 68 HB3 ASN 77 3HB ASN 77 3.135 4.710 -6.707 69 HD21 ASN 77 1HD2 ASN 77 0.450 3.969 -7.973 70 HD22 ASN 77 2HD2 ASN 77 0.871 3.138 -9.393 71 H LEU 78 H LEU 78 -0.672 4.713 -7.711 72 HA LEU 78 HA LEU 78 -1.078 6.274 -10.168 73 HB2 LEU 78 2HB LEU 78 -1.461 3.802 -10.082 74 HB3 LEU 78 3HB LEU 78 -2.780 4.078 -8.950 75 HG LEU 78 HG LEU 78 -3.825 5.590 -10.736 76 HD11 LEU 78 1HD1 LEU 78 -3.065 4.869 -13.100 77 HD12 LEU 78 2HD1 LEU 78 -1.579 4.332 -12.323 78 HD13 LEU 78 3HD1 LEU 78 -2.050 6.029 -12.248 79 HD21 LEU 78 1HD2 LEU 78 -4.592 3.281 -10.223 80 HD22 LEU 78 2HD2 LEU 78 -3.447 2.657 -11.410 81 HD23 LEU 78 3HD2 LEU 78 -4.787 3.679 -11.930 82 H LEU 79 H LEU 79 -3.358 5.364 -7.553 83 HA LEU 79 HA LEU 79 -5.299 7.283 -8.026 84 HB2 LEU 79 2HB LEU 79 -5.212 5.416 -6.237 85 HB3 LEU 79 3HB LEU 79 -4.440 6.621 -5.211 86 HG LEU 79 HG LEU 79 -6.500 8.127 -5.929 87 HD11 LEU 79 1HD1 LEU 79 -7.529 5.310 -6.384 88 HD12 LEU 79 2HD1 LEU 79 -7.454 6.604 -7.577 89 HD13 LEU 79 3HD1 LEU 79 -8.557 6.730 -6.209 90 HD21 LEU 79 1HD2 LEU 79 -6.037 7.361 -3.627 91 HD22 LEU 79 2HD2 LEU 79 -6.789 5.809 -3.993 92 HD23 LEU 79 3HD2 LEU 79 -7.762 7.279 -3.983 93 H ILE 80 H ILE 80 -2.072 7.967 -7.118 94 HA ILE 80 HA ILE 80 -2.830 10.570 -5.931 95 HB ILE 80 HB ILE 80 -0.949 8.968 -5.024 96 HG12 ILE 80 2HG1 ILE 80 -1.434 11.100 -3.997 97 HG13 ILE 80 3HG1 ILE 80 0.313 10.973 -4.197 98 HG21 ILE 80 1HG2 ILE 80 0.286 8.880 -7.181 99 HG22 ILE 80 2HG2 ILE 80 1.271 9.437 -5.845 100 HG23 ILE 80 3HG2 ILE 80 0.647 10.592 -7.020 101 HD11 ILE 80 1HD1 ILE 80 -0.057 12.208 -6.450 102 HD12 ILE 80 2HD1 ILE 80 -0.181 13.149 -4.964 103 HD13 ILE 80 3HD1 ILE 80 -1.642 12.618 -5.794 104 H GLN 81 H GLN 81 -0.656 9.438 -8.595 105 HA GLN 81 HA GLN 81 -0.272 12.041 -9.652 106 HB2 GLN 81 2HB GLN 81 0.108 10.859 -11.882 107 HB3 GLN 81 3HB GLN 81 1.136 10.360 -10.544 108 HG2 GLN 81 2HG GLN 81 0.462 8.307 -11.443 109 HG3 GLN 81 3HG GLN 81 -0.693 8.541 -10.145 110 HE21 GLN 81 1HE2 GLN 81 -2.735 8.029 -10.770 111 HE22 GLN 81 2HE2 GLN 81 -3.384 8.280 -12.320 112 H GLN 82 H GLN 82 -3.105 10.029 -9.749 113 HA GLN 82 HA GLN 82 -4.304 11.679 -11.922 114 HB2 GLN 82 2HB GLN 82 -6.268 10.176 -11.673 115 HB3 GLN 82 3HB GLN 82 -4.794 9.291 -12.010 116 HG2 GLN 82 2HG GLN 82 -5.545 8.011 -10.237 117 HG3 GLN 82 3HG GLN 82 -4.668 9.227 -9.316 118 HE21 GLN 82 1HE2 GLN 82 -7.069 11.112 -10.338 119 HE22 GLN 82 2HE2 GLN 82 -8.258 10.805 -9.168 120 H ALA 83 H ALA 83 -4.980 10.819 -8.512 121 HA ALA 83 HA ALA 83 -7.126 12.685 -8.230 122 HB1 ALA 83 1HB ALA 83 -6.922 12.292 -5.847 123 HB2 ALA 83 2HB ALA 83 -5.292 11.654 -6.053 124 HB3 ALA 83 3HB ALA 83 -6.675 10.761 -6.687 125 H ILE 84 H ILE 84 -3.881 12.921 -6.739 126 HA ILE 84 HA ILE 84 -2.534 14.719 -6.306 127 HB ILE 84 HB ILE 84 -4.124 16.297 -8.324 128 HG12 ILE 84 2HG1 ILE 84 -2.078 14.089 -8.707 129 HG13 ILE 84 3HG1 ILE 84 -3.663 14.228 -9.461 130 HG21 ILE 84 1HG2 ILE 84 -2.309 17.308 -6.846 131 HG22 ILE 84 2HG2 ILE 84 -2.048 17.473 -8.582 132 HG23 ILE 84 3HG2 ILE 84 -1.180 16.237 -7.669 133 HD11 ILE 84 1HD1 ILE 84 -2.751 16.408 -10.504 134 HD12 ILE 84 2HD1 ILE 84 -2.157 14.881 -11.155 135 HD13 ILE 84 3HD1 ILE 84 -1.166 15.805 -10.028 136 H ASP 85 H ASP 85 -5.965 15.603 -6.614 137 HA ASP 85 HA ASP 85 -6.504 16.228 -4.016 138 HB2 ASP 85 2HB ASP 85 -4.939 17.882 -3.611 139 HB3 ASP 85 3HB ASP 85 -4.926 18.444 -5.272 140 HA PRO 86 HA PRO 86 -9.392 19.171 -6.959 141 HB2 PRO 86 2HB PRO 86 -8.705 17.378 -9.277 142 HB3 PRO 86 3HB PRO 86 -9.262 19.064 -9.287 143 HG2 PRO 86 2HG PRO 86 -6.655 18.361 -9.578 144 HG3 PRO 86 3HG PRO 86 -7.176 19.895 -8.864 145 HD2 PRO 86 2HD PRO 86 -5.845 17.651 -7.545 146 HD3 PRO 86 3HD PRO 86 -6.197 19.267 -6.907 147 H LYS 87 H LYS 87 -8.797 15.692 -6.915 148 HA LYS 87 HA LYS 87 -11.212 14.628 -7.772 149 HB2 LYS 87 2HB LYS 87 -10.885 12.843 -6.025 150 HB3 LYS 87 3HB LYS 87 -9.463 13.147 -7.022 151 HG2 LYS 87 2HG LYS 87 -8.300 14.207 -5.295 152 HG3 LYS 87 3HG LYS 87 -9.772 14.666 -4.439 153 HD2 LYS 87 2HD LYS 87 -10.118 12.449 -3.635 154 HD3 LYS 87 3HD LYS 87 -8.918 11.781 -4.741 155 HE2 LYS 87 2HE LYS 87 -7.155 13.092 -3.563 156 HE3 LYS 87 3HE LYS 87 -8.372 13.648 -2.415 157 HZ1 LYS 87 1HZ LYS 87 -8.835 11.139 -2.142 158 HZ2 LYS 87 2HZ LYS 87 -7.491 11.823 -1.358 159 HZ3 LYS 87 3HZ LYS 87 -7.282 10.941 -2.796 160 H ASN 88 H ASN 88 -10.653 16.609 -4.978 161 HA ASN 88 HA ASN 88 -13.265 15.896 -3.771 162 HB2 ASN 88 2HB ASN 88 -12.455 17.977 -2.254 163 HB3 ASN 88 3HB ASN 88 -11.832 16.347 -2.014 164 HD21 ASN 88 1HD2 ASN 88 -11.067 19.437 -3.684 165 HD22 ASN 88 2HD2 ASN 88 -9.392 19.175 -3.719 166 H LEU 89 H LEU 89 -11.850 19.106 -4.512 167 HA LEU 89 HA LEU 89 -14.234 20.531 -4.642 168 HB2 LEU 89 2HB LEU 89 -11.802 21.370 -4.920 169 HB3 LEU 89 3HB LEU 89 -12.013 21.009 -6.632 170 HG LEU 89 HG LEU 89 -14.227 22.430 -6.379 171 HD11 LEU 89 1HD1 LEU 89 -12.539 23.404 -4.049 172 HD12 LEU 89 2HD1 LEU 89 -14.162 22.723 -3.955 173 HD13 LEU 89 3HD1 LEU 89 -13.907 24.287 -4.724 174 HD21 LEU 89 1HD2 LEU 89 -12.306 23.076 -7.779 175 HD22 LEU 89 2HD2 LEU 89 -11.471 23.704 -6.359 176 HD23 LEU 89 3HD2 LEU 89 -12.949 24.480 -6.929 177 H SER 90 H SER 90 -13.193 18.052 -6.743 178 HA SER 90 HA SER 90 -14.973 18.894 -8.939 179 HB2 SER 90 2HB SER 90 -13.267 16.409 -8.764 180 HB3 SER 90 3HB SER 90 -13.974 17.121 -10.211 181 HG SER 90 HG SER 90 -12.590 18.836 -10.028 182 H ARG 91 H ARG 91 -14.432 15.752 -7.342 183 HA ARG 91 HA ARG 91 -16.904 14.625 -8.069 184 HB2 ARG 91 2HB ARG 91 -14.854 13.470 -7.056 185 HB3 ARG 91 3HB ARG 91 -15.486 13.967 -5.486 186 HG2 ARG 91 2HG ARG 91 -17.559 12.758 -5.878 187 HG3 ARG 91 3HG ARG 91 -17.059 12.361 -7.522 188 HD2 ARG 91 2HD ARG 91 -15.025 11.214 -6.466 189 HD3 ARG 91 3HD ARG 91 -15.876 11.359 -4.929 190 HE ARG 91 HE ARG 91 -17.759 10.166 -6.520 191 HH11 ARG 91 1HH1 ARG 91 -17.914 7.937 -6.857 192 HH12 ARG 91 2HH1 ARG 91 -16.501 6.949 -6.699 193 HH21 ARG 91 1HH2 ARG 91 -14.414 9.603 -5.903 194 HH22 ARG 91 2HH2 ARG 91 -14.518 7.893 -6.157 195 H LEU 92 H LEU 92 -16.204 16.854 -5.451 196 HA LEU 92 HA LEU 92 -18.397 16.307 -3.776 197 HB2 LEU 92 2HB LEU 92 -16.967 18.884 -4.421 198 HB3 LEU 92 3HB LEU 92 -18.259 18.807 -3.224 199 HG LEU 92 HG LEU 92 -15.820 17.013 -3.164 200 HD11 LEU 92 1HD1 LEU 92 -15.157 18.571 -1.227 201 HD12 LEU 92 2HD1 LEU 92 -16.320 19.711 -1.904 202 HD13 LEU 92 3HD1 LEU 92 -14.935 19.190 -2.863 203 HD21 LEU 92 1HD2 LEU 92 -17.341 15.954 -1.781 204 HD22 LEU 92 2HD2 LEU 92 -18.193 17.442 -1.374 205 HD23 LEU 92 3HD2 LEU 92 -16.644 17.075 -0.620 206 H PHE 93 H PHE 93 -18.298 18.170 -6.797 207 HA PHE 93 HA PHE 93 -21.177 17.781 -7.060 208 HB2 PHE 93 2HB PHE 93 -20.110 20.338 -5.982 209 HB3 PHE 93 3HB PHE 93 -21.324 20.512 -7.248 210 HD1 PHE 93 1HD PHE 93 -23.534 19.210 -6.968 211 HD2 PHE 93 2HD PHE 93 -20.732 19.821 -3.768 212 HE1 PHE 93 1HE PHE 93 -25.317 18.721 -5.312 213 HE2 PHE 93 2HE PHE 93 -22.516 19.333 -2.114 214 HZ PHE 93 HZ PHE 93 -24.808 18.783 -2.886 215 HA PRO 94 HA PRO 94 -19.897 20.304 -10.955 216 HB2 PRO 94 2HB PRO 94 -17.240 21.119 -11.105 217 HB3 PRO 94 3HB PRO 94 -18.574 22.143 -10.537 218 HG2 PRO 94 2HG PRO 94 -16.612 20.550 -8.945 219 HG3 PRO 94 3HG PRO 94 -17.216 22.192 -8.665 220 HD2 PRO 94 2HD PRO 94 -18.177 20.112 -7.255 221 HD3 PRO 94 3HD PRO 94 -19.246 21.439 -7.783 222 H GLY 95 H GLY 95 -17.381 18.263 -9.529 223 HA2 GLY 95 2HA GLY 95 -16.104 17.252 -11.782 224 HA3 GLY 95 3HA GLY 95 -16.451 16.260 -10.367 225 H TRP 96 H TRP 96 -19.415 16.739 -10.813 226 HA TRP 96 HA TRP 96 -20.016 14.356 -12.208 227 HB2 TRP 96 2HB TRP 96 -21.628 16.812 -11.526 228 HB3 TRP 96 3HB TRP 96 -22.347 15.526 -12.492 229 HD1 TRP 96 HD TRP 96 -20.318 15.748 -9.185 230 HE1 TRP 96 1HE TRP 96 -21.352 14.074 -7.516 231 HE3 TRP 96 3HE TRP 96 -23.993 13.740 -12.105 232 HZ2 TRP 96 2HZ TRP 96 -23.450 12.144 -7.432 233 HZ3 TRP 96 3HZ TRP 96 -25.494 11.985 -11.208 234 HH2 TRP 96 HH TRP 96 -25.228 11.182 -8.875 235 H LYS 97 H LYS 97 -18.884 17.269 -13.463 236 HA LYS 97 HA LYS 97 -20.280 17.417 -15.945 237 HB2 LYS 97 2HB LYS 97 -18.206 18.659 -16.723 238 HB3 LYS 97 3HB LYS 97 -19.019 19.319 -15.312 239 HG2 LYS 97 2HG LYS 97 -16.879 19.344 -14.456 240 HG3 LYS 97 3HG LYS 97 -17.251 17.675 -14.058 241 HD2 LYS 97 2HD LYS 97 -16.333 17.232 -16.526 242 HD3 LYS 97 3HD LYS 97 -15.511 18.765 -16.249 243 HE2 LYS 97 2HE LYS 97 -14.515 17.874 -14.185 244 HE3 LYS 97 3HE LYS 97 -15.360 16.344 -14.428 245 HZ1 LYS 97 1HZ LYS 97 -14.196 16.297 -16.665 246 HZ2 LYS 97 2HZ LYS 97 -13.234 16.008 -15.294 247 HZ3 LYS 97 3HZ LYS 97 -13.194 17.523 -16.060 248 H ALA 98 H ALA 98 -18.138 15.069 -14.828 249 HA ALA 98 HA ALA 98 -17.233 14.305 -17.548 250 HB1 ALA 98 1HB ALA 98 -15.527 14.373 -15.752 251 HB2 ALA 98 2HB ALA 98 -15.751 12.731 -16.358 252 HB3 ALA 98 3HB ALA 98 -16.477 13.212 -14.823 253 H TRP 99 H TRP 99 -19.458 13.566 -15.071 254 HA TRP 99 HA TRP 99 -19.875 10.806 -15.768 255 HB2 TRP 99 2HB TRP 99 -21.523 12.747 -14.138 256 HB3 TRP 99 3HB TRP 99 -21.889 11.029 -14.292 257 HD1 TRP 99 HD TRP 99 -18.613 12.992 -13.540 258 HE1 TRP 99 1HE TRP 99 -17.473 11.891 -11.532 259 HE3 TRP 99 3HE TRP 99 -21.992 9.292 -12.528 260 HZ2 TRP 99 2HZ TRP 99 -17.914 9.725 -9.721 261 HZ3 TRP 99 3HZ TRP 99 -21.603 7.726 -10.647 262 HH2 TRP 99 HH TRP 99 -19.570 7.937 -9.242 263 H VAL 100 H VAL 100 -20.400 13.386 -17.609 264 HA VAL 100 HA VAL 100 -23.081 13.429 -18.407 265 HB VAL 100 HB VAL 100 -22.094 13.945 -20.726 266 HG11 VAL 100 1HG1 VAL 100 -22.662 15.763 -19.277 267 HG12 VAL 100 2HG1 VAL 100 -21.028 16.086 -19.856 268 HG13 VAL 100 3HG1 VAL 100 -21.279 15.446 -18.231 269 HG21 VAL 100 1HG2 VAL 100 -19.490 13.938 -19.191 270 HG22 VAL 100 2HG2 VAL 100 -19.727 14.151 -20.926 271 HG23 VAL 100 3HG2 VAL 100 -19.996 12.573 -20.187 Start of MODEL 14 1 H THR 68 H THR 68 -1.108 -7.702 2.193 2 HA THR 68 HA THR 68 -1.479 -5.944 -0.053 3 HB THR 68 HB THR 68 1.018 -7.327 0.968 4 HG1 THR 68 1HG THR 68 1.301 -5.505 2.096 5 HG21 THR 68 1HG2 THR 68 0.535 -5.341 -1.245 6 HG22 THR 68 2HG2 THR 68 1.604 -6.745 -1.222 7 HG23 THR 68 3HG2 THR 68 2.045 -5.288 -0.332 8 H VAL 69 H VAL 69 -2.111 -6.638 -2.006 9 HA VAL 69 HA VAL 69 -0.722 -8.894 -3.271 10 HB VAL 69 HB VAL 69 -2.769 -10.023 -3.937 11 HG11 VAL 69 1HG1 VAL 69 -3.463 -10.874 -1.790 12 HG12 VAL 69 2HG1 VAL 69 -2.953 -9.391 -0.982 13 HG13 VAL 69 3HG1 VAL 69 -1.748 -10.481 -1.669 14 HG21 VAL 69 1HG2 VAL 69 -4.330 -8.244 -4.189 15 HG22 VAL 69 2HG2 VAL 69 -4.094 -7.692 -2.534 16 HG23 VAL 69 3HG2 VAL 69 -4.947 -9.201 -2.849 17 H LEU 70 H LEU 70 -3.244 -6.405 -3.695 18 HA LEU 70 HA LEU 70 -2.843 -6.214 -6.549 19 HB2 LEU 70 2HB LEU 70 -3.924 -3.917 -4.921 20 HB3 LEU 70 3HB LEU 70 -4.406 -4.460 -6.523 21 HG LEU 70 HG LEU 70 -4.949 -6.002 -3.965 22 HD11 LEU 70 1HD1 LEU 70 -6.703 -4.163 -5.606 23 HD12 LEU 70 2HD1 LEU 70 -6.199 -3.927 -3.933 24 HD13 LEU 70 3HD1 LEU 70 -7.302 -5.240 -4.346 25 HD21 LEU 70 1HD2 LEU 70 -6.211 -6.305 -6.700 26 HD22 LEU 70 2HD2 LEU 70 -6.339 -7.399 -5.325 27 HD23 LEU 70 3HD2 LEU 70 -4.819 -7.257 -6.195 28 H SER 71 H SER 71 -0.747 -5.602 -4.173 29 HA SER 71 HA SER 71 1.230 -4.343 -4.063 30 HB2 SER 71 2HB SER 71 0.705 -3.244 -6.821 31 HB3 SER 71 3HB SER 71 2.236 -3.695 -6.077 32 HG SER 71 HG SER 71 0.182 -5.556 -6.663 33 H VAL 72 H VAL 72 0.981 -2.782 -2.654 34 HA VAL 72 HA VAL 72 -1.018 -0.781 -2.715 35 HB VAL 72 HB VAL 72 0.296 0.256 -0.909 36 HG11 VAL 72 1HG1 VAL 72 0.109 -2.763 -0.911 37 HG12 VAL 72 2HG1 VAL 72 -1.099 -1.620 -0.321 38 HG13 VAL 72 3HG1 VAL 72 0.429 -1.811 0.540 39 HG21 VAL 72 1HG2 VAL 72 2.433 -1.103 -0.265 40 HG22 VAL 72 2HG2 VAL 72 2.565 0.095 -1.546 41 HG23 VAL 72 3HG2 VAL 72 2.420 -1.617 -1.953 42 H GLY 73 H GLY 73 2.498 -0.370 -3.413 43 HA2 GLY 73 2HA GLY 73 2.339 2.315 -4.251 44 HA3 GLY 73 3HA GLY 73 3.535 1.166 -4.858 45 H GLY 74 H GLY 74 1.004 -0.476 -5.712 46 HA2 GLY 74 2HA GLY 74 1.028 0.465 -8.451 47 HA3 GLY 74 3HA GLY 74 0.015 -0.831 -7.817 48 H GLN 75 H GLN 75 -1.677 0.214 -6.088 49 HA GLN 75 HA GLN 75 -3.285 2.029 -7.705 50 HB2 GLN 75 2HB GLN 75 -3.688 0.584 -5.090 51 HB3 GLN 75 3HB GLN 75 -4.819 1.835 -5.605 52 HG2 GLN 75 2HG GLN 75 -5.599 -0.377 -6.341 53 HG3 GLN 75 3HG GLN 75 -5.180 0.622 -7.734 54 HE21 GLN 75 1HE2 GLN 75 -3.196 0.085 -8.916 55 HE22 GLN 75 2HE2 GLN 75 -2.428 -1.414 -8.706 56 H VAL 76 H VAL 76 -1.552 2.155 -4.611 57 HA VAL 76 HA VAL 76 -2.345 4.727 -3.784 58 HB VAL 76 HB VAL 76 0.417 3.497 -3.526 59 HG11 VAL 76 1HG1 VAL 76 0.473 5.818 -2.892 60 HG12 VAL 76 2HG1 VAL 76 0.402 4.883 -1.398 61 HG13 VAL 76 3HG1 VAL 76 -1.049 5.674 -2.013 62 HG21 VAL 76 1HG2 VAL 76 -1.620 2.102 -2.759 63 HG22 VAL 76 2HG2 VAL 76 -1.853 3.347 -1.530 64 HG23 VAL 76 3HG2 VAL 76 -0.362 2.406 -1.558 65 H ASN 77 H ASN 77 0.354 3.793 -5.937 66 HA ASN 77 HA ASN 77 1.197 6.464 -6.476 67 HB2 ASN 77 2HB ASN 77 2.563 4.475 -7.045 68 HB3 ASN 77 3HB ASN 77 1.377 4.030 -8.274 69 HD21 ASN 77 1HD2 ASN 77 1.105 5.558 -10.123 70 HD22 ASN 77 2HD2 ASN 77 2.382 6.591 -10.552 71 H LEU 78 H LEU 78 -0.798 4.268 -8.482 72 HA LEU 78 HA LEU 78 -1.565 6.128 -10.441 73 HB2 LEU 78 2HB LEU 78 -2.127 3.769 -10.641 74 HB3 LEU 78 3HB LEU 78 -3.152 3.852 -9.212 75 HG LEU 78 HG LEU 78 -4.710 5.338 -10.358 76 HD11 LEU 78 1HD1 LEU 78 -2.575 5.306 -12.492 77 HD12 LEU 78 2HD1 LEU 78 -3.397 6.691 -11.773 78 HD13 LEU 78 3HD1 LEU 78 -4.254 5.652 -12.908 79 HD21 LEU 78 1HD2 LEU 78 -5.566 3.776 -11.997 80 HD22 LEU 78 2HD2 LEU 78 -4.852 2.844 -10.681 81 HD23 LEU 78 3HD2 LEU 78 -3.973 3.045 -12.197 82 H LEU 79 H LEU 79 -2.756 5.788 -7.143 83 HA LEU 79 HA LEU 79 -5.026 7.527 -7.560 84 HB2 LEU 79 2HB LEU 79 -3.796 6.081 -5.281 85 HB3 LEU 79 3HB LEU 79 -4.646 7.554 -4.838 86 HG LEU 79 HG LEU 79 -6.136 5.610 -4.703 87 HD11 LEU 79 1HD1 LEU 79 -7.962 6.684 -5.560 88 HD12 LEU 79 2HD1 LEU 79 -7.221 6.969 -7.131 89 HD13 LEU 79 3HD1 LEU 79 -6.806 7.998 -5.760 90 HD21 LEU 79 1HD2 LEU 79 -6.818 4.561 -6.975 91 HD22 LEU 79 2HD2 LEU 79 -5.300 4.043 -6.249 92 HD23 LEU 79 3HD2 LEU 79 -5.290 5.200 -7.577 93 H ILE 80 H ILE 80 -1.667 8.038 -6.596 94 HA ILE 80 HA ILE 80 -2.213 10.734 -5.665 95 HB ILE 80 HB ILE 80 -0.223 9.041 -5.099 96 HG12 ILE 80 2HG1 ILE 80 -0.596 11.089 -3.861 97 HG13 ILE 80 3HG1 ILE 80 1.111 11.000 -4.288 98 HG21 ILE 80 1HG2 ILE 80 1.079 10.839 -7.154 99 HG22 ILE 80 2HG2 ILE 80 0.673 9.149 -7.433 100 HG23 ILE 80 3HG2 ILE 80 1.846 9.572 -6.195 101 HD11 ILE 80 1HD1 ILE 80 0.532 13.217 -4.817 102 HD12 ILE 80 2HD1 ILE 80 -1.035 12.750 -5.465 103 HD13 ILE 80 3HD1 ILE 80 0.435 12.400 -6.375 104 H GLN 81 H GLN 81 -1.353 9.308 -8.783 105 HA GLN 81 HA GLN 81 -0.712 11.953 -9.914 106 HB2 GLN 81 2HB GLN 81 -0.781 9.135 -10.979 107 HB3 GLN 81 3HB GLN 81 -0.805 10.475 -12.118 108 HG2 GLN 81 2HG GLN 81 1.484 10.000 -11.899 109 HG3 GLN 81 3HG GLN 81 1.264 11.356 -10.804 110 HE21 GLN 81 1HE2 GLN 81 0.352 7.928 -10.261 111 HE22 GLN 81 2HE2 GLN 81 1.356 7.718 -8.910 112 H GLN 82 H GLN 82 -3.441 9.657 -9.995 113 HA GLN 82 HA GLN 82 -4.882 11.431 -11.875 114 HB2 GLN 82 2HB GLN 82 -6.446 9.687 -12.134 115 HB3 GLN 82 3HB GLN 82 -4.900 8.869 -11.954 116 HG2 GLN 82 2HG GLN 82 -6.198 7.639 -10.465 117 HG3 GLN 82 3HG GLN 82 -5.538 8.859 -9.384 118 HE21 GLN 82 1HE2 GLN 82 -7.593 10.681 -11.161 119 HE22 GLN 82 2HE2 GLN 82 -9.026 10.490 -10.275 120 H ALA 83 H ALA 83 -5.238 10.409 -8.450 121 HA ALA 83 HA ALA 83 -7.744 11.588 -7.968 122 HB1 ALA 83 1HB ALA 83 -7.125 11.720 -5.633 123 HB2 ALA 83 2HB ALA 83 -5.412 11.657 -6.037 124 HB3 ALA 83 3HB ALA 83 -6.436 10.244 -6.304 125 H ILE 84 H ILE 84 -4.712 13.212 -6.962 126 HA ILE 84 HA ILE 84 -4.506 15.522 -6.451 127 HB ILE 84 HB ILE 84 -4.878 15.519 -9.453 128 HG12 ILE 84 2HG1 ILE 84 -3.430 13.643 -8.815 129 HG13 ILE 84 3HG1 ILE 84 -2.452 14.927 -9.519 130 HG21 ILE 84 1HG2 ILE 84 -3.285 17.187 -7.505 131 HG22 ILE 84 2HG2 ILE 84 -4.562 17.737 -8.586 132 HG23 ILE 84 3HG2 ILE 84 -3.013 17.221 -9.246 133 HD11 ILE 84 1HD1 ILE 84 -2.241 15.690 -6.957 134 HD12 ILE 84 2HD1 ILE 84 -1.189 14.459 -7.635 135 HD13 ILE 84 3HD1 ILE 84 -2.594 13.987 -6.682 136 H ASP 85 H ASP 85 -6.836 15.488 -5.494 137 HA ASP 85 HA ASP 85 -8.992 16.415 -5.349 138 HB2 ASP 85 2HB ASP 85 -8.933 18.892 -5.745 139 HB3 ASP 85 3HB ASP 85 -7.636 18.291 -4.714 140 HA PRO 86 HA PRO 86 -10.342 16.028 -9.729 141 HB2 PRO 86 2HB PRO 86 -12.774 14.917 -9.301 142 HB3 PRO 86 3HB PRO 86 -11.276 13.971 -9.180 143 HG2 PRO 86 2HG PRO 86 -12.944 15.153 -7.006 144 HG3 PRO 86 3HG PRO 86 -12.154 13.568 -7.080 145 HD2 PRO 86 2HD PRO 86 -11.115 15.735 -5.719 146 HD3 PRO 86 3HD PRO 86 -10.115 14.409 -6.358 147 H LYS 87 H LYS 87 -10.692 18.427 -7.894 148 HA LYS 87 HA LYS 87 -13.287 19.495 -7.981 149 HB2 LYS 87 2HB LYS 87 -10.567 20.797 -8.192 150 HB3 LYS 87 3HB LYS 87 -12.045 21.759 -8.219 151 HG2 LYS 87 2HG LYS 87 -12.706 20.597 -6.049 152 HG3 LYS 87 3HG LYS 87 -11.076 19.935 -5.999 153 HD2 LYS 87 2HD LYS 87 -11.580 22.909 -6.266 154 HD3 LYS 87 3HD LYS 87 -11.511 22.120 -4.694 155 HE2 LYS 87 2HE LYS 87 -9.306 22.911 -5.086 156 HE3 LYS 87 3HE LYS 87 -9.231 21.188 -5.435 157 HZ1 LYS 87 1HZ LYS 87 -8.518 23.234 -7.114 158 HZ2 LYS 87 2HZ LYS 87 -10.005 22.686 -7.726 159 HZ3 LYS 87 3HZ LYS 87 -8.710 21.604 -7.536 160 H ASN 88 H ASN 88 -10.844 19.326 -10.518 161 HA ASN 88 HA ASN 88 -12.100 20.984 -12.446 162 HB2 ASN 88 2HB ASN 88 -10.758 19.856 -14.089 163 HB3 ASN 88 3HB ASN 88 -9.797 19.906 -12.613 164 HD21 ASN 88 1HD2 ASN 88 -10.172 17.817 -11.150 165 HD22 ASN 88 2HD2 ASN 88 -10.244 16.343 -11.987 166 H LEU 89 H LEU 89 -12.453 17.489 -11.870 167 HA LEU 89 HA LEU 89 -14.375 16.949 -13.869 168 HB2 LEU 89 2HB LEU 89 -13.230 15.201 -12.558 169 HB3 LEU 89 3HB LEU 89 -14.087 15.718 -11.110 170 HG LEU 89 HG LEU 89 -16.242 15.139 -12.185 171 HD11 LEU 89 1HD1 LEU 89 -15.921 13.623 -14.313 172 HD12 LEU 89 2HD1 LEU 89 -14.410 14.513 -14.497 173 HD13 LEU 89 3HD1 LEU 89 -15.950 15.375 -14.501 174 HD21 LEU 89 1HD2 LEU 89 -16.003 12.767 -11.945 175 HD22 LEU 89 2HD2 LEU 89 -14.816 13.488 -10.857 176 HD23 LEU 89 3HD2 LEU 89 -14.302 12.826 -12.409 177 H SER 90 H SER 90 -14.845 17.934 -10.469 178 HA SER 90 HA SER 90 -17.720 18.076 -10.718 179 HB2 SER 90 2HB SER 90 -16.581 17.736 -8.539 180 HB3 SER 90 3HB SER 90 -15.894 19.354 -8.663 181 HG SER 90 HG SER 90 -18.653 19.064 -8.983 182 H ARG 91 H ARG 91 -15.162 20.114 -11.692 183 HA ARG 91 HA ARG 91 -16.507 22.658 -11.418 184 HB2 ARG 91 2HB ARG 91 -13.987 22.218 -11.790 185 HB3 ARG 91 3HB ARG 91 -14.402 22.010 -13.490 186 HG2 ARG 91 2HG ARG 91 -13.920 24.288 -13.457 187 HG3 ARG 91 3HG ARG 91 -15.654 24.331 -13.151 188 HD2 ARG 91 2HD ARG 91 -15.213 24.453 -10.715 189 HD3 ARG 91 3HD ARG 91 -13.480 24.418 -11.033 190 HE ARG 91 HE ARG 91 -13.607 26.692 -11.648 191 HH11 ARG 91 1HH1 ARG 91 -14.730 28.625 -11.975 192 HH12 ARG 91 2HH1 ARG 91 -16.460 28.600 -12.074 193 HH21 ARG 91 1HH2 ARG 91 -16.700 25.172 -11.622 194 HH22 ARG 91 2HH2 ARG 91 -17.575 26.645 -11.875 195 H LEU 92 H LEU 92 -16.036 20.454 -14.196 196 HA LEU 92 HA LEU 92 -17.430 21.905 -16.148 197 HB2 LEU 92 2HB LEU 92 -17.669 18.906 -15.800 198 HB3 LEU 92 3HB LEU 92 -17.767 19.824 -17.303 199 HG LEU 92 HG LEU 92 -15.311 19.517 -15.546 200 HD11 LEU 92 1HD1 LEU 92 -14.404 18.319 -17.502 201 HD12 LEU 92 2HD1 LEU 92 -15.939 18.530 -18.345 202 HD13 LEU 92 3HD1 LEU 92 -15.860 17.528 -16.896 203 HD21 LEU 92 1HD2 LEU 92 -15.136 21.692 -16.467 204 HD22 LEU 92 2HD2 LEU 92 -15.896 21.207 -17.985 205 HD23 LEU 92 3HD2 LEU 92 -14.252 20.687 -17.613 206 H PHE 93 H PHE 93 -18.630 20.705 -13.225 207 HA PHE 93 HA PHE 93 -21.465 20.901 -14.188 208 HB2 PHE 93 2HB PHE 93 -20.204 19.237 -12.008 209 HB3 PHE 93 3HB PHE 93 -21.943 19.511 -12.101 210 HD1 PHE 93 1HD PHE 93 -19.016 18.108 -13.911 211 HD2 PHE 93 2HD PHE 93 -23.299 18.389 -13.723 212 HE1 PHE 93 1HE PHE 93 -19.209 16.316 -15.615 213 HE2 PHE 93 2HE PHE 93 -23.490 16.596 -15.426 214 HZ PHE 93 HZ PHE 93 -21.445 15.560 -16.372 215 HA PRO 94 HA PRO 94 -21.172 24.785 -11.772 216 HB2 PRO 94 2HB PRO 94 -24.140 24.290 -11.872 217 HB3 PRO 94 3HB PRO 94 -23.249 25.814 -12.079 218 HG2 PRO 94 2HG PRO 94 -24.166 24.509 -14.189 219 HG3 PRO 94 3HG PRO 94 -22.563 25.272 -14.227 220 HD2 PRO 94 2HD PRO 94 -23.259 22.370 -14.039 221 HD3 PRO 94 3HD PRO 94 -21.828 23.141 -14.763 222 H GLY 95 H GLY 95 -22.393 21.742 -10.844 223 HA2 GLY 95 2HA GLY 95 -23.639 22.023 -8.407 224 HA3 GLY 95 3HA GLY 95 -22.457 20.756 -8.717 225 H TRP 96 H TRP 96 -20.196 22.597 -9.047 226 HA TRP 96 HA TRP 96 -19.239 22.646 -6.414 227 HB2 TRP 96 2HB TRP 96 -17.548 24.290 -7.193 228 HB3 TRP 96 3HB TRP 96 -17.725 22.922 -8.288 229 HD1 TRP 96 HD TRP 96 -18.742 23.350 -10.649 230 HE1 TRP 96 1HE TRP 96 -19.213 25.498 -11.998 231 HE3 TRP 96 3HE TRP 96 -18.316 26.830 -6.942 232 HZ2 TRP 96 2HZ TRP 96 -19.393 28.308 -11.563 233 HZ3 TRP 96 3HZ TRP 96 -18.646 29.238 -7.435 234 HH2 TRP 96 HH TRP 96 -19.183 29.981 -9.739 235 H LYS 97 H LYS 97 -21.689 24.593 -7.669 236 HA LYS 97 HA LYS 97 -21.256 27.096 -6.417 237 HB2 LYS 97 2HB LYS 97 -23.765 27.265 -6.430 238 HB3 LYS 97 3HB LYS 97 -23.060 26.825 -7.984 239 HG2 LYS 97 2HG LYS 97 -23.480 24.405 -7.392 240 HG3 LYS 97 3HG LYS 97 -24.361 24.967 -5.976 241 HD2 LYS 97 2HD LYS 97 -26.111 25.864 -7.242 242 HD3 LYS 97 3HD LYS 97 -25.116 26.047 -8.687 243 HE2 LYS 97 2HE LYS 97 -25.128 23.682 -9.098 244 HE3 LYS 97 3HE LYS 97 -25.870 23.353 -7.534 245 HZ1 LYS 97 1HZ LYS 97 -27.125 24.876 -9.754 246 HZ2 LYS 97 2HZ LYS 97 -27.840 24.548 -8.249 247 HZ3 LYS 97 3HZ LYS 97 -27.495 23.278 -9.323 248 H ALA 98 H ALA 98 -21.871 24.049 -4.993 249 HA ALA 98 HA ALA 98 -22.779 25.265 -2.436 250 HB1 ALA 98 1HB ALA 98 -22.679 22.358 -3.286 251 HB2 ALA 98 2HB ALA 98 -24.117 23.380 -3.383 252 HB3 ALA 98 3HB ALA 98 -23.417 22.989 -1.811 253 H TRP 99 H TRP 99 -20.152 23.808 -4.046 254 HA TRP 99 HA TRP 99 -18.790 22.801 -1.726 255 HB2 TRP 99 2HB TRP 99 -17.813 23.433 -4.517 256 HB3 TRP 99 3HB TRP 99 -16.842 22.621 -3.291 257 HD1 TRP 99 HD TRP 99 -20.535 22.060 -4.408 258 HE1 TRP 99 1HE TRP 99 -20.832 19.583 -4.926 259 HE3 TRP 99 3HE TRP 99 -15.774 20.407 -3.571 260 HZ2 TRP 99 2HZ TRP 99 -19.285 17.183 -4.974 261 HZ3 TRP 99 3HZ TRP 99 -15.218 18.009 -3.863 262 HH2 TRP 99 HH TRP 99 -16.965 16.395 -4.564 263 H VAL 100 H VAL 100 -19.410 25.916 -2.715 264 HA VAL 100 HA VAL 100 -16.994 27.314 -2.427 265 HB VAL 100 HB VAL 100 -18.394 29.225 -1.745 266 HG11 VAL 100 1HG1 VAL 100 -18.324 28.336 -4.137 267 HG12 VAL 100 2HG1 VAL 100 -19.714 29.342 -3.732 268 HG13 VAL 100 3HG1 VAL 100 -19.885 27.589 -3.801 269 HG21 VAL 100 1HG2 VAL 100 -20.865 28.815 -1.488 270 HG22 VAL 100 2HG2 VAL 100 -19.893 28.133 -0.185 271 HG23 VAL 100 3HG2 VAL 100 -20.520 27.086 -1.458 Start of MODEL 15 1 H THR 68 H THR 68 -0.167 -10.299 0.338 2 HA THR 68 HA THR 68 -0.858 -9.157 -2.308 3 HB THR 68 HB THR 68 -0.625 -7.501 0.222 4 HG1 THR 68 1HG THR 68 -2.778 -6.923 -1.088 5 HG21 THR 68 1HG2 THR 68 0.471 -6.301 -1.540 6 HG22 THR 68 2HG2 THR 68 -1.142 -5.606 -1.385 7 HG23 THR 68 3HG2 THR 68 -0.788 -6.730 -2.699 8 H VAL 69 H VAL 69 1.012 -8.859 -3.432 9 HA VAL 69 HA VAL 69 3.505 -8.177 -2.013 10 HB VAL 69 HB VAL 69 4.764 -10.001 -2.953 11 HG11 VAL 69 1HG1 VAL 69 2.142 -11.176 -1.994 12 HG12 VAL 69 2HG1 VAL 69 3.345 -10.469 -0.915 13 HG13 VAL 69 3HG1 VAL 69 3.744 -11.899 -1.864 14 HG21 VAL 69 1HG2 VAL 69 3.494 -11.754 -4.332 15 HG22 VAL 69 2HG2 VAL 69 3.817 -10.220 -5.139 16 HG23 VAL 69 3HG2 VAL 69 2.212 -10.553 -4.488 17 H LEU 70 H LEU 70 1.503 -8.201 -4.804 18 HA LEU 70 HA LEU 70 3.372 -7.396 -6.796 19 HB2 LEU 70 2HB LEU 70 0.508 -6.432 -6.645 20 HB3 LEU 70 3HB LEU 70 1.482 -6.710 -8.088 21 HG LEU 70 HG LEU 70 0.543 -8.863 -6.161 22 HD11 LEU 70 1HD1 LEU 70 -0.905 -9.563 -8.015 23 HD12 LEU 70 2HD1 LEU 70 -0.309 -8.228 -9.000 24 HD13 LEU 70 3HD1 LEU 70 -1.265 -7.899 -7.556 25 HD21 LEU 70 1HD2 LEU 70 2.614 -9.586 -7.100 26 HD22 LEU 70 2HD2 LEU 70 2.221 -8.906 -8.680 27 HD23 LEU 70 3HD2 LEU 70 1.371 -10.339 -8.100 28 H SER 71 H SER 71 2.764 -5.923 -3.936 29 HA SER 71 HA SER 71 3.405 -3.822 -3.116 30 HB2 SER 71 2HB SER 71 5.059 -4.041 -5.189 31 HB3 SER 71 3HB SER 71 4.023 -2.790 -5.869 32 HG SER 71 HG SER 71 5.493 -2.752 -3.446 33 H VAL 72 H VAL 72 1.742 -2.728 -2.442 34 HA VAL 72 HA VAL 72 -0.575 -2.151 -4.056 35 HB VAL 72 HB VAL 72 -1.325 -0.930 -2.070 36 HG11 VAL 72 1HG1 VAL 72 0.169 -3.496 -1.476 37 HG12 VAL 72 2HG1 VAL 72 -1.519 -3.344 -1.964 38 HG13 VAL 72 3HG1 VAL 72 -1.004 -2.764 -0.381 39 HG21 VAL 72 1HG2 VAL 72 0.621 0.274 -1.408 40 HG22 VAL 72 2HG2 VAL 72 1.582 -1.202 -1.295 41 HG23 VAL 72 3HG2 VAL 72 0.324 -0.875 -0.103 42 H GLY 73 H GLY 73 2.405 -0.496 -3.342 43 HA2 GLY 73 2HA GLY 73 1.871 2.189 -3.717 44 HA3 GLY 73 3HA GLY 73 3.313 1.420 -4.373 45 H GLY 74 H GLY 74 1.426 -0.345 -6.030 46 HA2 GLY 74 2HA GLY 74 1.529 1.220 -8.431 47 HA3 GLY 74 3HA GLY 74 0.662 -0.304 -8.248 48 H GLN 75 H GLN 75 -1.195 0.315 -6.300 49 HA GLN 75 HA GLN 75 -3.065 1.946 -7.820 50 HB2 GLN 75 2HB GLN 75 -3.268 0.452 -5.200 51 HB3 GLN 75 3HB GLN 75 -4.598 1.405 -5.859 52 HG2 GLN 75 2HG GLN 75 -4.892 -0.902 -6.560 53 HG3 GLN 75 3HG GLN 75 -4.439 0.055 -7.971 54 HE21 GLN 75 1HE2 GLN 75 -3.350 -2.467 -5.763 55 HE22 GLN 75 2HE2 GLN 75 -1.928 -2.849 -6.606 56 H VAL 76 H VAL 76 -1.264 2.245 -4.779 57 HA VAL 76 HA VAL 76 -2.524 4.659 -3.893 58 HB VAL 76 HB VAL 76 0.365 3.923 -3.392 59 HG11 VAL 76 1HG1 VAL 76 -0.085 5.025 -1.226 60 HG12 VAL 76 2HG1 VAL 76 -1.738 5.354 -1.745 61 HG13 VAL 76 3HG1 VAL 76 -0.384 6.118 -2.577 62 HG21 VAL 76 1HG2 VAL 76 -0.455 2.581 -1.483 63 HG22 VAL 76 2HG2 VAL 76 -1.055 1.931 -3.009 64 HG23 VAL 76 3HG2 VAL 76 -2.118 2.891 -1.982 65 H ASN 77 H ASN 77 0.642 4.224 -5.539 66 HA ASN 77 HA ASN 77 1.067 6.983 -6.005 67 HB2 ASN 77 2HB ASN 77 2.832 6.356 -7.402 68 HB3 ASN 77 3HB ASN 77 2.646 4.911 -6.413 69 HD21 ASN 77 1HD2 ASN 77 1.393 6.271 -9.520 70 HD22 ASN 77 2HD2 ASN 77 1.362 4.778 -10.328 71 H LEU 78 H LEU 78 -0.409 4.541 -8.157 72 HA LEU 78 HA LEU 78 -1.099 6.166 -10.315 73 HB2 LEU 78 2HB LEU 78 -1.583 3.782 -10.338 74 HB3 LEU 78 3HB LEU 78 -2.719 3.959 -9.003 75 HG LEU 78 HG LEU 78 -4.232 5.264 -10.390 76 HD11 LEU 78 1HD1 LEU 78 -3.586 5.415 -12.911 77 HD12 LEU 78 2HD1 LEU 78 -1.933 5.166 -12.346 78 HD13 LEU 78 3HD1 LEU 78 -2.853 6.566 -11.795 79 HD21 LEU 78 1HD2 LEU 78 -4.934 3.541 -11.896 80 HD22 LEU 78 2HD2 LEU 78 -4.167 2.716 -10.539 81 HD23 LEU 78 3HD2 LEU 78 -3.292 2.919 -12.057 82 H LEU 79 H LEU 79 -2.650 5.959 -7.149 83 HA LEU 79 HA LEU 79 -4.874 7.656 -7.846 84 HB2 LEU 79 2HB LEU 79 -3.829 6.315 -5.440 85 HB3 LEU 79 3HB LEU 79 -4.542 7.879 -5.068 86 HG LEU 79 HG LEU 79 -6.591 7.156 -6.365 87 HD11 LEU 79 1HD1 LEU 79 -5.234 5.312 -7.575 88 HD12 LEU 79 2HD1 LEU 79 -6.863 4.904 -7.039 89 HD13 LEU 79 3HD1 LEU 79 -5.468 4.363 -6.106 90 HD21 LEU 79 1HD2 LEU 79 -7.436 5.729 -4.547 91 HD22 LEU 79 2HD2 LEU 79 -6.454 7.041 -3.891 92 HD23 LEU 79 3HD2 LEU 79 -5.784 5.413 -4.014 93 H ILE 80 H ILE 80 -1.568 8.247 -6.826 94 HA ILE 80 HA ILE 80 -2.032 10.947 -5.962 95 HB ILE 80 HB ILE 80 0.070 9.292 -5.670 96 HG12 ILE 80 2HG1 ILE 80 -0.228 11.306 -4.357 97 HG13 ILE 80 3HG1 ILE 80 1.414 11.299 -4.992 98 HG21 ILE 80 1HG2 ILE 80 1.917 9.736 -7.054 99 HG22 ILE 80 2HG2 ILE 80 1.201 11.206 -7.710 100 HG23 ILE 80 3HG2 ILE 80 0.585 9.636 -8.199 101 HD11 ILE 80 1HD1 ILE 80 -0.930 12.989 -5.846 102 HD12 ILE 80 2HD1 ILE 80 0.397 12.684 -6.967 103 HD13 ILE 80 3HD1 ILE 80 0.707 13.492 -5.432 104 H GLN 81 H GLN 81 -1.321 9.488 -9.103 105 HA GLN 81 HA GLN 81 -1.045 12.154 -10.360 106 HB2 GLN 81 2HB GLN 81 -1.072 9.359 -11.538 107 HB3 GLN 81 3HB GLN 81 -0.844 10.828 -12.477 108 HG2 GLN 81 2HG GLN 81 1.390 10.657 -12.048 109 HG3 GLN 81 3HG GLN 81 1.032 11.078 -10.377 110 HE21 GLN 81 1HE2 GLN 81 -0.475 8.488 -9.943 111 HE22 GLN 81 2HE2 GLN 81 0.726 7.295 -9.824 112 H GLN 82 H GLN 82 -3.565 9.854 -9.726 113 HA GLN 82 HA GLN 82 -5.321 11.013 -11.819 114 HB2 GLN 82 2HB GLN 82 -5.898 8.790 -11.819 115 HB3 GLN 82 3HB GLN 82 -5.207 8.530 -10.226 116 HG2 GLN 82 2HG GLN 82 -7.652 8.112 -10.284 117 HG3 GLN 82 3HG GLN 82 -7.222 9.397 -9.161 118 HE21 GLN 82 1HE2 GLN 82 -9.563 10.098 -9.513 119 HE22 GLN 82 2HE2 GLN 82 -9.925 11.048 -10.873 120 H ALA 83 H ALA 83 -4.903 10.957 -8.307 121 HA ALA 83 HA ALA 83 -7.367 12.184 -7.589 122 HB1 ALA 83 1HB ALA 83 -6.135 12.909 -5.524 123 HB2 ALA 83 2HB ALA 83 -4.645 12.321 -6.262 124 HB3 ALA 83 3HB ALA 83 -5.948 11.193 -5.887 125 H ILE 84 H ILE 84 -4.541 13.490 -9.107 126 HA ILE 84 HA ILE 84 -5.265 16.273 -8.413 127 HB ILE 84 HB ILE 84 -3.287 16.842 -9.892 128 HG12 ILE 84 2HG1 ILE 84 -1.716 14.920 -10.334 129 HG13 ILE 84 3HG1 ILE 84 -3.007 13.814 -9.898 130 HG21 ILE 84 1HG2 ILE 84 -3.064 16.708 -7.475 131 HG22 ILE 84 2HG2 ILE 84 -1.635 15.996 -8.223 132 HG23 ILE 84 3HG2 ILE 84 -2.892 14.955 -7.555 133 HD11 ILE 84 1HD1 ILE 84 -3.568 15.889 -11.993 134 HD12 ILE 84 2HD1 ILE 84 -4.226 14.262 -11.820 135 HD13 ILE 84 3HD1 ILE 84 -2.590 14.489 -12.429 136 H ASP 85 H ASP 85 -6.383 14.062 -10.598 137 HA ASP 85 HA ASP 85 -6.771 16.030 -12.794 138 HB2 ASP 85 2HB ASP 85 -6.051 13.540 -13.105 139 HB3 ASP 85 3HB ASP 85 -7.752 13.175 -12.827 140 HA PRO 86 HA PRO 86 -10.756 17.284 -11.045 141 HB2 PRO 86 2HB PRO 86 -11.468 17.171 -13.969 142 HB3 PRO 86 3HB PRO 86 -11.900 18.395 -12.756 143 HG2 PRO 86 2HG PRO 86 -9.909 18.814 -14.474 144 HG3 PRO 86 3HG PRO 86 -9.805 19.367 -12.792 145 HD2 PRO 86 2HD PRO 86 -8.341 17.144 -14.116 146 HD3 PRO 86 3HD PRO 86 -7.908 18.065 -12.660 147 H LYS 87 H LYS 87 -10.686 14.737 -13.567 148 HA LYS 87 HA LYS 87 -13.239 13.647 -13.176 149 HB2 LYS 87 2HB LYS 87 -12.152 11.421 -13.779 150 HB3 LYS 87 3HB LYS 87 -11.882 12.737 -14.923 151 HG2 LYS 87 2HG LYS 87 -9.669 13.093 -14.167 152 HG3 LYS 87 3HG LYS 87 -9.932 12.173 -12.688 153 HD2 LYS 87 2HD LYS 87 -8.598 10.906 -14.370 154 HD3 LYS 87 3HD LYS 87 -10.116 10.101 -13.968 155 HE2 LYS 87 2HE LYS 87 -9.535 10.246 -16.461 156 HE3 LYS 87 3HE LYS 87 -11.144 10.798 -16.000 157 HZ1 LYS 87 1HZ LYS 87 -8.804 12.601 -16.272 158 HZ2 LYS 87 2HZ LYS 87 -10.433 13.046 -16.073 159 HZ3 LYS 87 3HZ LYS 87 -9.919 12.318 -17.519 160 H ASN 88 H ASN 88 -10.627 13.789 -10.968 161 HA ASN 88 HA ASN 88 -11.431 11.499 -9.361 162 HB2 ASN 88 2HB ASN 88 -9.692 12.103 -7.891 163 HB3 ASN 88 3HB ASN 88 -9.097 12.642 -9.456 164 HD21 ASN 88 1HD2 ASN 88 -10.118 15.107 -9.896 165 HD22 ASN 88 2HD2 ASN 88 -9.810 16.168 -8.610 166 H LEU 89 H LEU 89 -11.746 15.038 -9.009 167 HA LEU 89 HA LEU 89 -13.324 14.949 -6.634 168 HB2 LEU 89 2HB LEU 89 -12.299 17.016 -7.279 169 HB3 LEU 89 3HB LEU 89 -13.076 16.993 -8.856 170 HG LEU 89 HG LEU 89 -14.954 16.916 -6.530 171 HD11 LEU 89 1HD1 LEU 89 -13.226 18.493 -5.702 172 HD12 LEU 89 2HD1 LEU 89 -14.750 19.309 -6.049 173 HD13 LEU 89 3HD1 LEU 89 -13.404 19.440 -7.180 174 HD21 LEU 89 1HD2 LEU 89 -15.810 17.128 -8.811 175 HD22 LEU 89 2HD2 LEU 89 -14.791 18.538 -9.094 176 HD23 LEU 89 3HD2 LEU 89 -16.120 18.630 -7.943 177 H SER 90 H SER 90 -14.069 14.266 -9.947 178 HA SER 90 HA SER 90 -16.981 14.466 -9.479 179 HB2 SER 90 2HB SER 90 -17.246 14.346 -11.801 180 HB3 SER 90 3HB SER 90 -15.711 15.196 -11.648 181 HG SER 90 HG SER 90 -16.267 12.605 -12.497 182 H ARG 91 H ARG 91 -14.449 12.053 -9.982 183 HA ARG 91 HA ARG 91 -16.311 9.832 -10.271 184 HB2 ARG 91 2HB ARG 91 -14.040 9.771 -11.232 185 HB3 ARG 91 3HB ARG 91 -13.346 9.831 -9.617 186 HG2 ARG 91 2HG ARG 91 -15.321 7.672 -10.392 187 HG3 ARG 91 3HG ARG 91 -13.612 7.506 -10.773 188 HD2 ARG 91 2HD ARG 91 -13.515 8.198 -8.086 189 HD3 ARG 91 3HD ARG 91 -14.978 7.224 -8.166 190 HE ARG 91 HE ARG 91 -13.620 5.343 -8.533 191 HH11 ARG 91 1HH1 ARG 91 -11.645 4.314 -8.922 192 HH12 ARG 91 2HH1 ARG 91 -10.265 5.260 -9.372 193 HH21 ARG 91 1HH2 ARG 91 -11.966 8.280 -9.247 194 HH22 ARG 91 2HH2 ARG 91 -10.448 7.508 -9.556 195 H LEU 92 H LEU 92 -14.305 11.066 -7.576 196 HA LEU 92 HA LEU 92 -14.690 9.104 -5.659 197 HB2 LEU 92 2HB LEU 92 -14.821 12.111 -5.335 198 HB3 LEU 92 3HB LEU 92 -14.783 11.003 -3.968 199 HG LEU 92 HG LEU 92 -12.691 10.953 -6.158 200 HD11 LEU 92 1HD1 LEU 92 -12.494 13.146 -5.261 201 HD12 LEU 92 2HD1 LEU 92 -11.279 12.192 -4.410 202 HD13 LEU 92 3HD1 LEU 92 -12.804 12.585 -3.617 203 HD21 LEU 92 1HD2 LEU 92 -12.513 8.951 -4.936 204 HD22 LEU 92 2HD2 LEU 92 -12.979 9.714 -3.417 205 HD23 LEU 92 3HD2 LEU 92 -11.378 9.998 -4.094 206 H PHE 93 H PHE 93 -17.086 11.026 -7.161 207 HA PHE 93 HA PHE 93 -19.159 10.210 -5.162 208 HB2 PHE 93 2HB PHE 93 -19.152 12.319 -7.336 209 HB3 PHE 93 3HB PHE 93 -20.575 11.894 -6.384 210 HD1 PHE 93 1HD PHE 93 -17.312 13.560 -6.363 211 HD2 PHE 93 2HD PHE 93 -20.639 12.318 -3.950 212 HE1 PHE 93 1HE PHE 93 -16.540 15.048 -4.534 213 HE2 PHE 93 2HE PHE 93 -19.868 13.804 -2.121 214 HZ PHE 93 HZ PHE 93 -17.819 15.169 -2.412 215 HA PRO 94 HA PRO 94 -19.735 6.923 -8.364 216 HB2 PRO 94 2HB PRO 94 -22.133 6.565 -6.580 217 HB3 PRO 94 3HB PRO 94 -21.067 5.334 -7.292 218 HG2 PRO 94 2HG PRO 94 -20.814 6.023 -4.745 219 HG3 PRO 94 3HG PRO 94 -19.382 5.710 -5.745 220 HD2 PRO 94 2HD PRO 94 -20.460 8.325 -4.768 221 HD3 PRO 94 3HD PRO 94 -18.778 7.855 -5.105 222 H GLY 95 H GLY 95 -21.574 9.677 -7.589 223 HA2 GLY 95 2HA GLY 95 -23.972 9.445 -8.972 224 HA3 GLY 95 3HA GLY 95 -23.032 10.937 -8.935 225 H TRP 96 H TRP 96 -20.813 9.135 -10.287 226 HA TRP 96 HA TRP 96 -21.030 10.112 -12.893 227 HB2 TRP 96 2HB TRP 96 -19.634 7.773 -11.652 228 HB3 TRP 96 3HB TRP 96 -19.754 7.767 -13.409 229 HD1 TRP 96 HD TRP 96 -19.030 10.618 -10.881 230 HE1 TRP 96 1HE TRP 96 -16.917 11.861 -11.681 231 HE3 TRP 96 3HE TRP 96 -17.865 7.842 -15.008 232 HZ2 TRP 96 2HZ TRP 96 -14.994 11.704 -13.773 233 HZ3 TRP 96 3HZ TRP 96 -15.884 8.414 -16.386 234 HH2 TRP 96 HH TRP 96 -14.447 10.341 -15.774 235 H LYS 97 H LYS 97 -23.001 7.768 -11.402 236 HA LYS 97 HA LYS 97 -23.744 6.221 -13.702 237 HB2 LYS 97 2HB LYS 97 -25.202 6.777 -11.108 238 HB3 LYS 97 3HB LYS 97 -25.725 5.589 -12.302 239 HG2 LYS 97 2HG LYS 97 -23.583 4.399 -12.080 240 HG3 LYS 97 3HG LYS 97 -23.031 5.588 -10.905 241 HD2 LYS 97 2HD LYS 97 -25.610 4.093 -10.435 242 HD3 LYS 97 3HD LYS 97 -24.069 3.331 -10.053 243 HE2 LYS 97 2HE LYS 97 -23.492 5.318 -8.636 244 HE3 LYS 97 3HE LYS 97 -25.110 5.952 -8.934 245 HZ1 LYS 97 1HZ LYS 97 -24.709 3.229 -7.870 246 HZ2 LYS 97 2HZ LYS 97 -26.094 4.211 -7.787 247 HZ3 LYS 97 3HZ LYS 97 -24.731 4.575 -6.838 248 H ALA 98 H ALA 98 -24.346 9.454 -12.934 249 HA ALA 98 HA ALA 98 -26.886 9.550 -14.469 250 HB1 ALA 98 1HB ALA 98 -25.502 11.675 -12.808 251 HB2 ALA 98 2HB ALA 98 -26.835 10.663 -12.244 252 HB3 ALA 98 3HB ALA 98 -27.097 11.818 -13.552 253 H TRP 99 H TRP 99 -23.539 10.235 -14.564 254 HA TRP 99 HA TRP 99 -23.642 12.290 -16.574 255 HB2 TRP 99 2HB TRP 99 -21.376 10.510 -15.651 256 HB3 TRP 99 3HB TRP 99 -21.184 11.881 -16.744 257 HD1 TRP 99 HD TRP 99 -22.955 11.379 -13.314 258 HE1 TRP 99 1HE TRP 99 -22.344 13.357 -11.812 259 HE3 TRP 99 3HE TRP 99 -19.939 14.004 -16.495 260 HZ2 TRP 99 2HZ TRP 99 -20.794 15.751 -11.922 261 HZ3 TRP 99 3HZ TRP 99 -18.908 16.136 -15.763 262 HH2 TRP 99 HH TRP 99 -19.331 17.014 -13.482 263 H VAL 100 H VAL 100 -24.168 8.965 -16.685 264 HA VAL 100 HA VAL 100 -22.916 8.097 -19.036 265 HB VAL 100 HB VAL 100 -24.897 6.578 -19.280 266 HG11 VAL 100 1HG1 VAL 100 -23.670 6.935 -16.538 267 HG12 VAL 100 2HG1 VAL 100 -23.107 5.876 -17.831 268 HG13 VAL 100 3HG1 VAL 100 -24.623 5.526 -17.002 269 HG21 VAL 100 1HG2 VAL 100 -25.921 8.092 -16.861 270 HG22 VAL 100 2HG2 VAL 100 -26.694 6.711 -17.637 271 HG23 VAL 100 3HG2 VAL 100 -26.582 8.250 -18.488 Start of MODEL 16 1 H THR 68 H THR 68 8.382 -6.244 0.200 2 HA THR 68 HA THR 68 6.049 -5.946 2.006 3 HB THR 68 HB THR 68 6.200 -4.661 -0.741 4 HG1 THR 68 1HG THR 68 6.373 -3.688 1.889 5 HG21 THR 68 1HG2 THR 68 3.936 -5.168 -0.531 6 HG22 THR 68 2HG2 THR 68 3.991 -3.616 0.299 7 HG23 THR 68 3HG2 THR 68 3.979 -5.111 1.232 8 H VAL 69 H VAL 69 5.299 -6.128 -1.302 9 HA VAL 69 HA VAL 69 5.694 -8.930 -1.756 10 HB VAL 69 HB VAL 69 4.059 -9.198 0.010 11 HG11 VAL 69 1HG1 VAL 69 2.603 -7.017 -1.453 12 HG12 VAL 69 2HG1 VAL 69 2.951 -7.180 0.263 13 HG13 VAL 69 3HG1 VAL 69 1.690 -8.165 -0.477 14 HG21 VAL 69 1HG2 VAL 69 3.224 -10.913 -1.216 15 HG22 VAL 69 2HG2 VAL 69 3.498 -10.057 -2.723 16 HG23 VAL 69 3HG2 VAL 69 1.994 -9.824 -1.839 17 H LEU 70 H LEU 70 2.616 -8.247 -2.952 18 HA LEU 70 HA LEU 70 3.601 -7.840 -5.616 19 HB2 LEU 70 2HB LEU 70 0.833 -7.132 -4.601 20 HB3 LEU 70 3HB LEU 70 1.292 -7.475 -6.264 21 HG LEU 70 HG LEU 70 1.187 -9.407 -3.944 22 HD11 LEU 70 1HD1 LEU 70 -0.167 -9.302 -6.650 23 HD12 LEU 70 2HD1 LEU 70 -0.930 -9.002 -5.088 24 HD13 LEU 70 3HD1 LEU 70 -0.340 -10.616 -5.486 25 HD21 LEU 70 1HD2 LEU 70 2.530 -9.655 -6.638 26 HD22 LEU 70 2HD2 LEU 70 1.932 -11.077 -5.786 27 HD23 LEU 70 3HD2 LEU 70 3.177 -10.069 -5.051 28 H SER 71 H SER 71 3.830 -5.803 -3.101 29 HA SER 71 HA SER 71 4.108 -3.492 -2.868 30 HB2 SER 71 2HB SER 71 4.722 -3.863 -5.809 31 HB3 SER 71 3HB SER 71 4.895 -2.316 -4.988 32 HG SER 71 HG SER 71 6.083 -3.949 -3.418 33 H VAL 72 H VAL 72 2.373 -2.425 -2.347 34 HA VAL 72 HA VAL 72 0.045 -2.258 -4.115 35 HB VAL 72 HB VAL 72 -0.957 -1.073 -2.225 36 HG11 VAL 72 1HG1 VAL 72 -0.893 -3.508 -2.081 37 HG12 VAL 72 2HG1 VAL 72 -0.619 -2.829 -0.477 38 HG13 VAL 72 3HG1 VAL 72 0.740 -3.449 -1.416 39 HG21 VAL 72 1HG2 VAL 72 1.892 -1.069 -1.213 40 HG22 VAL 72 2HG2 VAL 72 0.510 -0.787 -0.152 41 HG23 VAL 72 3HG2 VAL 72 0.842 0.324 -1.482 42 H GLY 73 H GLY 73 2.894 -0.442 -3.508 43 HA2 GLY 73 2HA GLY 73 2.199 2.222 -3.848 44 HA3 GLY 73 3HA GLY 73 3.655 1.527 -4.554 45 H GLY 74 H GLY 74 1.604 -0.329 -6.049 46 HA2 GLY 74 2HA GLY 74 1.629 1.204 -8.496 47 HA3 GLY 74 3HA GLY 74 0.826 -0.349 -8.266 48 H GLN 75 H GLN 75 -1.108 0.059 -6.459 49 HA GLN 75 HA GLN 75 -2.994 1.714 -7.895 50 HB2 GLN 75 2HB GLN 75 -3.136 0.093 -5.353 51 HB3 GLN 75 3HB GLN 75 -4.487 1.102 -5.873 52 HG2 GLN 75 2HG GLN 75 -4.793 -1.179 -6.711 53 HG3 GLN 75 3HG GLN 75 -4.495 -0.081 -8.062 54 HE21 GLN 75 1HE2 GLN 75 -2.867 -2.484 -5.953 55 HE22 GLN 75 2HE2 GLN 75 -1.636 -2.852 -7.061 56 H VAL 76 H VAL 76 -1.121 2.050 -4.930 57 HA VAL 76 HA VAL 76 -2.478 4.417 -3.995 58 HB VAL 76 HB VAL 76 0.409 3.676 -3.465 59 HG11 VAL 76 1HG1 VAL 76 -0.419 5.890 -2.666 60 HG12 VAL 76 2HG1 VAL 76 0.001 4.810 -1.336 61 HG13 VAL 76 3HG1 VAL 76 -1.691 5.062 -1.769 62 HG21 VAL 76 1HG2 VAL 76 -0.417 2.300 -1.608 63 HG22 VAL 76 2HG2 VAL 76 -1.087 1.706 -3.126 64 HG23 VAL 76 3HG2 VAL 76 -2.083 2.677 -2.045 65 H ASN 77 H ASN 77 0.762 4.070 -5.493 66 HA ASN 77 HA ASN 77 1.242 6.784 -6.009 67 HB2 ASN 77 2HB ASN 77 2.843 4.870 -6.426 68 HB3 ASN 77 3HB ASN 77 1.949 4.534 -7.909 69 HD21 ASN 77 1HD2 ASN 77 1.858 6.355 -9.541 70 HD22 ASN 77 2HD2 ASN 77 3.142 7.464 -9.597 71 H LEU 78 H LEU 78 -0.844 4.516 -7.694 72 HA LEU 78 HA LEU 78 -1.320 6.232 -9.987 73 HB2 LEU 78 2HB LEU 78 -1.653 3.759 -10.027 74 HB3 LEU 78 3HB LEU 78 -2.980 3.939 -8.887 75 HG LEU 78 HG LEU 78 -4.120 5.444 -10.572 76 HD11 LEU 78 1HD1 LEU 78 -1.718 4.588 -12.191 77 HD12 LEU 78 2HD1 LEU 78 -2.423 6.195 -12.024 78 HD13 LEU 78 3HD1 LEU 78 -3.244 4.973 -12.988 79 HD21 LEU 78 1HD2 LEU 78 -3.467 2.616 -11.465 80 HD22 LEU 78 2HD2 LEU 78 -4.862 3.560 -11.987 81 HD23 LEU 78 3HD2 LEU 78 -4.716 3.060 -10.301 82 H LEU 79 H LEU 79 -2.982 5.626 -6.908 83 HA LEU 79 HA LEU 79 -5.299 7.159 -7.457 84 HB2 LEU 79 2HB LEU 79 -4.901 5.560 -5.516 85 HB3 LEU 79 3HB LEU 79 -3.993 6.861 -4.749 86 HG LEU 79 HG LEU 79 -6.017 8.330 -4.969 87 HD11 LEU 79 1HD1 LEU 79 -7.417 7.508 -6.622 88 HD12 LEU 79 2HD1 LEU 79 -8.193 6.782 -5.220 89 HD13 LEU 79 3HD1 LEU 79 -7.099 5.822 -6.217 90 HD21 LEU 79 1HD2 LEU 79 -5.429 6.991 -2.908 91 HD22 LEU 79 2HD2 LEU 79 -6.554 5.753 -3.464 92 HD23 LEU 79 3HD2 LEU 79 -7.146 7.365 -3.059 93 H ILE 80 H ILE 80 -2.065 8.184 -6.484 94 HA ILE 80 HA ILE 80 -3.040 10.895 -5.862 95 HB ILE 80 HB ILE 80 -1.369 10.143 -4.370 96 HG12 ILE 80 2HG1 ILE 80 -1.065 12.502 -5.717 97 HG13 ILE 80 3HG1 ILE 80 -0.013 12.007 -4.400 98 HG21 ILE 80 1HG2 ILE 80 0.171 9.330 -6.837 99 HG22 ILE 80 2HG2 ILE 80 -0.464 8.292 -5.564 100 HG23 ILE 80 3HG2 ILE 80 0.882 9.376 -5.225 101 HD11 ILE 80 1HD1 ILE 80 1.708 11.322 -5.876 102 HD12 ILE 80 2HD1 ILE 80 1.113 12.826 -6.573 103 HD13 ILE 80 3HD1 ILE 80 0.630 11.282 -7.269 104 H GLN 81 H GLN 81 -1.024 9.303 -8.342 105 HA GLN 81 HA GLN 81 -0.328 11.731 -9.654 106 HB2 GLN 81 2HB GLN 81 1.091 10.115 -10.430 107 HB3 GLN 81 3HB GLN 81 -0.037 8.830 -10.039 108 HG2 GLN 81 2HG GLN 81 -0.391 10.597 -12.443 109 HG3 GLN 81 3HG GLN 81 0.552 9.116 -12.483 110 HE21 GLN 81 1HE2 GLN 81 -1.823 8.607 -10.205 111 HE22 GLN 81 2HE2 GLN 81 -2.993 7.869 -11.192 112 H GLN 82 H GLN 82 -3.245 9.798 -9.656 113 HA GLN 82 HA GLN 82 -4.256 11.178 -12.086 114 HB2 GLN 82 2HB GLN 82 -5.067 9.040 -12.314 115 HB3 GLN 82 3HB GLN 82 -4.881 8.694 -10.605 116 HG2 GLN 82 2HG GLN 82 -7.251 8.620 -11.351 117 HG3 GLN 82 3HG GLN 82 -6.974 9.822 -10.096 118 HE21 GLN 82 1HE2 GLN 82 -8.999 10.884 -11.034 119 HE22 GLN 82 2HE2 GLN 82 -8.829 11.881 -12.397 120 H ALA 83 H ALA 83 -4.798 10.964 -8.584 121 HA ALA 83 HA ALA 83 -7.160 12.540 -8.482 122 HB1 ALA 83 1HB ALA 83 -4.943 12.208 -6.449 123 HB2 ALA 83 2HB ALA 83 -6.421 11.252 -6.563 124 HB3 ALA 83 3HB ALA 83 -6.504 12.951 -6.112 125 H ILE 84 H ILE 84 -3.996 13.501 -9.355 126 HA ILE 84 HA ILE 84 -3.749 16.069 -8.272 127 HB ILE 84 HB ILE 84 -3.086 15.319 -11.130 128 HG12 ILE 84 2HG1 ILE 84 -2.221 13.563 -9.713 129 HG13 ILE 84 3HG1 ILE 84 -0.874 14.601 -10.166 130 HG21 ILE 84 1HG2 ILE 84 -2.697 17.630 -10.765 131 HG22 ILE 84 2HG2 ILE 84 -1.123 16.859 -10.592 132 HG23 ILE 84 3HG2 ILE 84 -2.029 17.343 -9.161 133 HD11 ILE 84 1HD1 ILE 84 -0.570 14.300 -7.846 134 HD12 ILE 84 2HD1 ILE 84 -2.296 14.420 -7.511 135 HD13 ILE 84 3HD1 ILE 84 -1.380 15.862 -7.943 136 H ASP 85 H ASP 85 -6.345 14.969 -10.069 137 HA ASP 85 HA ASP 85 -7.004 16.976 -11.865 138 HB2 ASP 85 2HB ASP 85 -8.415 14.941 -10.360 139 HB3 ASP 85 3HB ASP 85 -9.411 16.391 -10.404 140 HA PRO 86 HA PRO 86 -7.726 20.874 -9.867 141 HB2 PRO 86 2HB PRO 86 -10.684 20.627 -10.312 142 HB3 PRO 86 3HB PRO 86 -9.586 21.960 -10.730 143 HG2 PRO 86 2HG PRO 86 -10.468 20.296 -12.594 144 HG3 PRO 86 3HG PRO 86 -8.797 20.890 -12.621 145 HD2 PRO 86 2HD PRO 86 -9.822 18.184 -11.834 146 HD3 PRO 86 3HD PRO 86 -8.306 18.630 -12.648 147 H LYS 87 H LYS 87 -8.698 18.107 -8.387 148 HA LYS 87 HA LYS 87 -10.592 18.761 -6.447 149 HB2 LYS 87 2HB LYS 87 -9.570 17.105 -4.994 150 HB3 LYS 87 3HB LYS 87 -9.484 16.525 -6.654 151 HG2 LYS 87 2HG LYS 87 -7.143 17.292 -6.810 152 HG3 LYS 87 3HG LYS 87 -7.219 17.889 -5.153 153 HD2 LYS 87 2HD LYS 87 -7.724 15.605 -4.358 154 HD3 LYS 87 3HD LYS 87 -7.584 15.012 -6.013 155 HE2 LYS 87 2HE LYS 87 -5.466 14.636 -4.864 156 HE3 LYS 87 3HE LYS 87 -5.240 15.892 -6.079 157 HZ1 LYS 87 1HZ LYS 87 -4.577 16.112 -3.473 158 HZ2 LYS 87 2HZ LYS 87 -6.082 16.898 -3.523 159 HZ3 LYS 87 3HZ LYS 87 -4.816 17.415 -4.531 160 H ASN 88 H ASN 88 -7.423 20.077 -6.843 161 HA ASN 88 HA ASN 88 -7.068 21.009 -4.124 162 HB2 ASN 88 2HB ASN 88 -5.392 22.576 -5.200 163 HB3 ASN 88 3HB ASN 88 -5.122 20.867 -5.544 164 HD21 ASN 88 1HD2 ASN 88 -6.151 23.938 -6.959 165 HD22 ASN 88 2HD2 ASN 88 -6.162 23.399 -8.568 166 H LEU 89 H LEU 89 -7.834 22.830 -7.106 167 HA LEU 89 HA LEU 89 -8.578 25.250 -5.890 168 HB2 LEU 89 2HB LEU 89 -8.377 25.178 -8.264 169 HB3 LEU 89 3HB LEU 89 -9.538 23.866 -8.405 170 HG LEU 89 HG LEU 89 -10.604 26.337 -7.103 171 HD11 LEU 89 1HD1 LEU 89 -9.733 26.300 -10.003 172 HD12 LEU 89 2HD1 LEU 89 -9.301 27.475 -8.761 173 HD13 LEU 89 3HD1 LEU 89 -10.951 27.412 -9.376 174 HD21 LEU 89 1HD2 LEU 89 -11.576 24.521 -9.340 175 HD22 LEU 89 2HD2 LEU 89 -12.512 25.840 -8.639 176 HD23 LEU 89 3HD2 LEU 89 -12.075 24.449 -7.651 177 H SER 90 H SER 90 -10.292 22.213 -6.096 178 HA SER 90 HA SER 90 -12.802 23.383 -5.114 179 HB2 SER 90 2HB SER 90 -13.076 21.619 -6.709 180 HB3 SER 90 3HB SER 90 -11.957 20.573 -5.840 181 HG SER 90 HG SER 90 -14.606 20.939 -5.482 182 H ARG 91 H ARG 91 -9.985 21.747 -3.869 183 HA ARG 91 HA ARG 91 -11.169 20.821 -1.418 184 HB2 ARG 91 2HB ARG 91 -9.073 19.858 -2.186 185 HB3 ARG 91 3HB ARG 91 -8.295 21.439 -2.171 186 HG2 ARG 91 2HG ARG 91 -7.701 20.053 -0.186 187 HG3 ARG 91 3HG ARG 91 -8.499 21.555 0.265 188 HD2 ARG 91 2HD ARG 91 -9.305 19.389 1.411 189 HD3 ARG 91 3HD ARG 91 -10.540 20.452 0.746 190 HE ARG 91 HE ARG 91 -11.064 18.759 -0.812 191 HH11 ARG 91 1HH1 ARG 91 -10.745 16.739 -1.778 192 HH12 ARG 91 2HH1 ARG 91 -9.275 15.874 -1.479 193 HH21 ARG 91 1HH2 ARG 91 -7.950 18.313 0.599 194 HH22 ARG 91 2HH2 ARG 91 -7.693 16.765 -0.133 195 H LEU 92 H LEU 92 -9.994 23.899 -2.525 196 HA LEU 92 HA LEU 92 -9.256 25.215 -0.184 197 HB2 LEU 92 2HB LEU 92 -11.038 26.334 -2.368 198 HB3 LEU 92 3HB LEU 92 -10.094 27.282 -1.219 199 HG LEU 92 HG LEU 92 -8.928 25.313 -3.211 200 HD11 LEU 92 1HD1 LEU 92 -9.030 28.345 -3.219 201 HD12 LEU 92 2HD1 LEU 92 -9.866 27.270 -4.341 202 HD13 LEU 92 3HD1 LEU 92 -8.105 27.363 -4.356 203 HD21 LEU 92 1HD2 LEU 92 -7.761 27.090 -1.070 204 HD22 LEU 92 2HD2 LEU 92 -6.815 26.739 -2.515 205 HD23 LEU 92 3HD2 LEU 92 -7.352 25.423 -1.476 206 H PHE 93 H PHE 93 -12.349 23.892 -0.957 207 HA PHE 93 HA PHE 93 -13.312 24.595 1.704 208 HB2 PHE 93 2HB PHE 93 -14.198 26.112 -0.699 209 HB3 PHE 93 3HB PHE 93 -15.490 25.604 0.392 210 HD1 PHE 93 1HD PHE 93 -15.320 26.238 2.853 211 HD2 PHE 93 2HD PHE 93 -12.750 27.899 -0.163 212 HE1 PHE 93 1HE PHE 93 -14.734 28.105 4.378 213 HE2 PHE 93 2HE PHE 93 -12.165 29.766 1.362 214 HZ PHE 93 HZ PHE 93 -13.158 29.869 3.632 215 HA PRO 94 HA PRO 94 -16.863 22.001 -0.779 216 HB2 PRO 94 2HB PRO 94 -14.738 21.026 -2.670 217 HB3 PRO 94 3HB PRO 94 -16.492 21.142 -2.921 218 HG2 PRO 94 2HG PRO 94 -14.737 22.998 -3.850 219 HG3 PRO 94 3HG PRO 94 -16.410 23.376 -3.409 220 HD2 PRO 94 2HD PRO 94 -13.954 24.247 -2.072 221 HD3 PRO 94 3HD PRO 94 -15.632 24.745 -1.761 222 H GLY 95 H GLY 95 -13.494 20.813 -0.855 223 HA2 GLY 95 2HA GLY 95 -13.898 18.174 -0.082 224 HA3 GLY 95 3HA GLY 95 -12.476 19.099 0.398 225 H TRP 96 H TRP 96 -13.727 21.021 2.057 226 HA TRP 96 HA TRP 96 -14.191 19.357 4.440 227 HB2 TRP 96 2HB TRP 96 -14.274 22.374 4.283 228 HB3 TRP 96 3HB TRP 96 -13.924 21.368 5.688 229 HD1 TRP 96 HD TRP 96 -12.406 22.359 2.294 230 HE1 TRP 96 1HE TRP 96 -9.849 22.070 2.431 231 HE3 TRP 96 3HE TRP 96 -11.998 20.275 6.938 232 HZ2 TRP 96 2HZ TRP 96 -7.894 21.089 4.258 233 HZ3 TRP 96 3HZ TRP 96 -9.774 19.674 7.852 234 HH2 TRP 96 HH TRP 96 -7.721 20.079 6.519 235 H LYS 97 H LYS 97 -16.167 20.771 2.063 236 HA LYS 97 HA LYS 97 -18.382 21.522 3.753 237 HB2 LYS 97 2HB LYS 97 -18.209 20.903 0.799 238 HB3 LYS 97 3HB LYS 97 -19.691 21.437 1.588 239 HG2 LYS 97 2HG LYS 97 -17.079 22.977 1.701 240 HG3 LYS 97 3HG LYS 97 -18.336 23.284 0.510 241 HD2 LYS 97 2HD LYS 97 -19.322 24.691 2.008 242 HD3 LYS 97 3HD LYS 97 -19.711 23.289 2.993 243 HE2 LYS 97 2HE LYS 97 -17.289 23.562 3.934 244 HE3 LYS 97 3HE LYS 97 -17.378 25.180 3.243 245 HZ1 LYS 97 1HZ LYS 97 -19.662 25.199 4.470 246 HZ2 LYS 97 2HZ LYS 97 -18.228 25.544 5.313 247 HZ3 LYS 97 3HZ LYS 97 -18.936 24.004 5.430 248 H ALA 98 H ALA 98 -17.129 18.492 2.910 249 HA ALA 98 HA ALA 98 -19.750 17.161 3.429 250 HB1 ALA 98 1HB ALA 98 -17.324 16.065 1.991 251 HB2 ALA 98 2HB ALA 98 -18.762 16.694 1.185 252 HB3 ALA 98 3HB ALA 98 -18.875 15.249 2.190 253 H TRP 99 H TRP 99 -16.489 17.636 4.409 254 HA TRP 99 HA TRP 99 -16.269 15.253 6.015 255 HB2 TRP 99 2HB TRP 99 -14.719 17.837 6.288 256 HB3 TRP 99 3HB TRP 99 -14.244 16.256 6.899 257 HD1 TRP 99 HD TRP 99 -15.645 15.392 3.716 258 HE1 TRP 99 1HE TRP 99 -13.874 15.295 1.859 259 HE3 TRP 99 3HE TRP 99 -11.810 17.875 6.010 260 HZ2 TRP 99 2HZ TRP 99 -11.191 16.135 1.398 261 HZ3 TRP 99 3HZ TRP 99 -9.653 18.204 4.833 262 HH2 TRP 99 HH TRP 99 -9.338 17.337 2.531 263 H VAL 100 H VAL 100 -17.692 18.382 6.478 264 HA VAL 100 HA VAL 100 -17.584 18.673 9.268 265 HB VAL 100 HB VAL 100 -19.868 19.793 8.958 266 HG11 VAL 100 1HG1 VAL 100 -17.481 20.546 7.256 267 HG12 VAL 100 2HG1 VAL 100 -17.861 21.122 8.879 268 HG13 VAL 100 3HG1 VAL 100 -18.864 21.611 7.513 269 HG21 VAL 100 1HG2 VAL 100 -19.285 19.329 6.028 270 HG22 VAL 100 2HG2 VAL 100 -20.740 20.015 6.749 271 HG23 VAL 100 3HG2 VAL 100 -20.388 18.298 6.940 Start of MODEL 17 1 H THR 68 H THR 68 8.200 -7.026 -5.024 2 HA THR 68 HA THR 68 6.306 -8.677 -3.432 3 HB THR 68 HB THR 68 6.211 -5.746 -4.218 4 HG1 THR 68 1HG THR 68 7.753 -6.912 -2.532 5 HG21 THR 68 1HG2 THR 68 3.981 -6.386 -3.786 6 HG22 THR 68 2HG2 THR 68 4.547 -5.758 -2.238 7 HG23 THR 68 3HG2 THR 68 4.455 -7.499 -2.502 8 H VAL 69 H VAL 69 3.948 -8.508 -4.105 9 HA VAL 69 HA VAL 69 3.609 -9.456 -6.769 10 HB VAL 69 HB VAL 69 1.176 -9.222 -6.309 11 HG11 VAL 69 1HG1 VAL 69 2.658 -10.224 -3.868 12 HG12 VAL 69 2HG1 VAL 69 2.585 -11.114 -5.388 13 HG13 VAL 69 3HG1 VAL 69 1.105 -10.786 -4.486 14 HG21 VAL 69 1HG2 VAL 69 1.270 -7.074 -5.092 15 HG22 VAL 69 2HG2 VAL 69 2.148 -7.855 -3.778 16 HG23 VAL 69 3HG2 VAL 69 0.478 -8.309 -4.114 17 H LEU 70 H LEU 70 1.139 -7.699 -7.232 18 HA LEU 70 HA LEU 70 2.251 -5.925 -9.125 19 HB2 LEU 70 2HB LEU 70 -0.343 -5.396 -7.662 20 HB3 LEU 70 3HB LEU 70 0.074 -4.972 -9.321 21 HG LEU 70 HG LEU 70 -0.372 -7.757 -8.211 22 HD11 LEU 70 1HD1 LEU 70 -1.797 -6.165 -10.366 23 HD12 LEU 70 2HD1 LEU 70 -2.407 -6.446 -8.735 24 HD13 LEU 70 3HD1 LEU 70 -2.208 -7.800 -9.848 25 HD21 LEU 70 1HD2 LEU 70 1.410 -8.011 -9.764 26 HD22 LEU 70 2HD2 LEU 70 0.745 -6.793 -10.853 27 HD23 LEU 70 3HD2 LEU 70 -0.041 -8.365 -10.702 28 H SER 71 H SER 71 2.545 -5.758 -5.804 29 HA SER 71 HA SER 71 3.328 -4.073 -4.374 30 HB2 SER 71 2HB SER 71 3.838 -2.341 -6.790 31 HB3 SER 71 3HB SER 71 4.757 -2.448 -5.292 32 HG SER 71 HG SER 71 5.759 -4.172 -6.023 33 H VAL 72 H VAL 72 1.791 -3.184 -3.221 34 HA VAL 72 HA VAL 72 -0.626 -2.081 -4.040 35 HB VAL 72 HB VAL 72 -0.660 -0.960 -1.863 36 HG11 VAL 72 1HG1 VAL 72 0.677 -3.676 -1.887 37 HG12 VAL 72 2HG1 VAL 72 -1.054 -3.344 -1.815 38 HG13 VAL 72 3HG1 VAL 72 -0.023 -2.944 -0.442 39 HG21 VAL 72 1HG2 VAL 72 1.505 0.036 -1.733 40 HG22 VAL 72 2HG2 VAL 72 2.307 -1.517 -1.971 41 HG23 VAL 72 3HG2 VAL 72 1.472 -1.178 -0.455 42 H GLY 73 H GLY 73 2.515 -0.447 -3.690 43 HA2 GLY 73 2HA GLY 73 1.834 2.220 -4.025 44 HA3 GLY 73 3HA GLY 73 3.279 1.518 -4.749 45 H GLY 74 H GLY 74 1.317 -0.342 -6.264 46 HA2 GLY 74 2HA GLY 74 1.268 1.171 -8.700 47 HA3 GLY 74 3HA GLY 74 0.413 -0.351 -8.431 48 H GLN 75 H GLN 75 -1.308 0.326 -6.365 49 HA GLN 75 HA GLN 75 -3.256 1.951 -7.798 50 HB2 GLN 75 2HB GLN 75 -3.302 0.416 -5.199 51 HB3 GLN 75 3HB GLN 75 -4.639 1.467 -5.667 52 HG2 GLN 75 2HG GLN 75 -5.165 -0.766 -6.423 53 HG3 GLN 75 3HG GLN 75 -4.768 0.196 -7.848 54 HE21 GLN 75 1HE2 GLN 75 -2.687 -0.214 -8.904 55 HE22 GLN 75 2HE2 GLN 75 -1.798 -1.624 -8.579 56 H VAL 76 H VAL 76 -1.356 2.238 -4.789 57 HA VAL 76 HA VAL 76 -2.502 4.688 -3.904 58 HB VAL 76 HB VAL 76 0.428 4.017 -3.582 59 HG11 VAL 76 1HG1 VAL 76 -1.638 5.331 -1.792 60 HG12 VAL 76 2HG1 VAL 76 -0.360 6.163 -2.677 61 HG13 VAL 76 3HG1 VAL 76 0.051 5.057 -1.366 62 HG21 VAL 76 1HG2 VAL 76 -1.984 2.764 -2.248 63 HG22 VAL 76 2HG2 VAL 76 -0.371 2.714 -1.537 64 HG23 VAL 76 3HG2 VAL 76 -0.673 1.944 -3.094 65 H ASN 77 H ASN 77 0.441 4.147 -5.881 66 HA ASN 77 HA ASN 77 0.949 6.885 -6.421 67 HB2 ASN 77 2HB ASN 77 2.594 5.172 -6.995 68 HB3 ASN 77 3HB ASN 77 1.474 4.446 -8.150 69 HD21 ASN 77 1HD2 ASN 77 3.598 7.227 -7.590 70 HD22 ASN 77 2HD2 ASN 77 3.543 7.811 -9.183 71 H LEU 78 H LEU 78 -0.787 4.486 -8.415 72 HA LEU 78 HA LEU 78 -1.721 6.184 -10.438 73 HB2 LEU 78 2HB LEU 78 -2.052 3.678 -10.281 74 HB3 LEU 78 3HB LEU 78 -3.339 3.985 -9.119 75 HG LEU 78 HG LEU 78 -4.302 5.563 -10.998 76 HD11 LEU 78 1HD1 LEU 78 -3.784 4.662 -13.277 77 HD12 LEU 78 2HD1 LEU 78 -2.487 3.705 -12.568 78 HD13 LEU 78 3HD1 LEU 78 -2.407 5.465 -12.528 79 HD21 LEU 78 1HD2 LEU 78 -4.353 2.536 -11.002 80 HD22 LEU 78 2HD2 LEU 78 -5.382 3.491 -12.072 81 HD23 LEU 78 3HD2 LEU 78 -5.547 3.643 -10.323 82 H LEU 79 H LEU 79 -2.844 5.839 -7.127 83 HA LEU 79 HA LEU 79 -5.306 7.244 -7.406 84 HB2 LEU 79 2HB LEU 79 -4.350 5.836 -5.411 85 HB3 LEU 79 3HB LEU 79 -3.638 7.361 -4.898 86 HG LEU 79 HG LEU 79 -6.087 8.299 -5.265 87 HD11 LEU 79 1HD1 LEU 79 -7.046 6.274 -6.247 88 HD12 LEU 79 2HD1 LEU 79 -7.792 6.565 -4.679 89 HD13 LEU 79 3HD1 LEU 79 -6.551 5.326 -4.846 90 HD21 LEU 79 1HD2 LEU 79 -5.088 8.337 -3.088 91 HD22 LEU 79 2HD2 LEU 79 -5.158 6.580 -2.951 92 HD23 LEU 79 3HD2 LEU 79 -6.644 7.530 -2.890 93 H ILE 80 H ILE 80 -2.210 8.462 -6.053 94 HA ILE 80 HA ILE 80 -3.146 11.187 -6.142 95 HB ILE 80 HB ILE 80 -1.589 10.759 -4.460 96 HG12 ILE 80 2HG1 ILE 80 -1.025 12.784 -6.114 97 HG13 ILE 80 3HG1 ILE 80 0.025 12.392 -4.763 98 HG21 ILE 80 1HG2 ILE 80 0.724 9.732 -5.129 99 HG22 ILE 80 2HG2 ILE 80 -0.143 9.181 -6.560 100 HG23 ILE 80 3HG2 ILE 80 -0.681 8.680 -4.961 101 HD11 ILE 80 1HD1 ILE 80 0.576 11.053 -7.390 102 HD12 ILE 80 2HD1 ILE 80 1.689 11.530 -6.116 103 HD13 ILE 80 3HD1 ILE 80 1.015 12.746 -7.198 104 H GLN 81 H GLN 81 -1.582 9.145 -8.496 105 HA GLN 81 HA GLN 81 -0.438 11.277 -10.069 106 HB2 GLN 81 2HB GLN 81 -0.899 8.358 -10.339 107 HB3 GLN 81 3HB GLN 81 -0.885 9.227 -11.869 108 HG2 GLN 81 2HG GLN 81 1.357 8.334 -11.091 109 HG3 GLN 81 3HG GLN 81 1.323 10.050 -11.483 110 HE21 GLN 81 1HE2 GLN 81 0.770 7.942 -8.603 111 HE22 GLN 81 2HE2 GLN 81 1.549 8.982 -7.513 112 H GLN 82 H GLN 82 -3.503 9.438 -10.291 113 HA GLN 82 HA GLN 82 -4.430 11.271 -12.431 114 HB2 GLN 82 2HB GLN 82 -6.062 9.681 -12.925 115 HB3 GLN 82 3HB GLN 82 -4.767 8.668 -12.301 116 HG2 GLN 82 2HG GLN 82 -6.600 7.844 -11.110 117 HG3 GLN 82 3HG GLN 82 -5.966 9.039 -9.980 118 HE21 GLN 82 1HE2 GLN 82 -7.739 10.096 -9.064 119 HE22 GLN 82 2HE2 GLN 82 -9.085 10.666 -9.926 120 H ALA 83 H ALA 83 -5.010 10.629 -9.025 121 HA ALA 83 HA ALA 83 -7.341 12.407 -8.949 122 HB1 ALA 83 1HB ALA 83 -5.889 11.388 -6.521 123 HB2 ALA 83 2HB ALA 83 -6.902 10.305 -7.472 124 HB3 ALA 83 3HB ALA 83 -7.606 11.735 -6.723 125 H ILE 84 H ILE 84 -3.914 12.498 -8.144 126 HA ILE 84 HA ILE 84 -2.611 14.182 -7.222 127 HB ILE 84 HB ILE 84 -4.191 16.069 -8.954 128 HG12 ILE 84 2HG1 ILE 84 -2.314 14.964 -10.689 129 HG13 ILE 84 3HG1 ILE 84 -2.839 13.537 -9.803 130 HG21 ILE 84 1HG2 ILE 84 -1.919 16.919 -9.427 131 HG22 ILE 84 2HG2 ILE 84 -1.241 15.637 -8.423 132 HG23 ILE 84 3HG2 ILE 84 -2.240 16.891 -7.694 133 HD11 ILE 84 1HD1 ILE 84 -5.243 14.431 -10.294 134 HD12 ILE 84 2HD1 ILE 84 -4.348 13.632 -11.579 135 HD13 ILE 84 3HD1 ILE 84 -4.450 15.390 -11.537 136 H ASP 85 H ASP 85 -5.303 13.702 -5.915 137 HA ASP 85 HA ASP 85 -6.659 14.706 -4.268 138 HB2 ASP 85 2HB ASP 85 -3.949 15.972 -3.823 139 HB3 ASP 85 3HB ASP 85 -5.303 16.185 -2.711 140 HA PRO 86 HA PRO 86 -7.575 18.441 -6.896 141 HB2 PRO 86 2HB PRO 86 -10.336 17.761 -5.971 142 HB3 PRO 86 3HB PRO 86 -9.749 18.096 -7.612 143 HG2 PRO 86 2HG PRO 86 -10.370 15.622 -6.860 144 HG3 PRO 86 3HG PRO 86 -8.980 15.935 -7.918 145 HD2 PRO 86 2HD PRO 86 -9.003 15.331 -4.970 146 HD3 PRO 86 3HD PRO 86 -7.896 14.744 -6.230 147 H LYS 87 H LYS 87 -7.887 17.687 -3.599 148 HA LYS 87 HA LYS 87 -9.371 19.738 -2.447 149 HB2 LYS 87 2HB LYS 87 -7.929 19.549 -0.499 150 HB3 LYS 87 3HB LYS 87 -8.136 17.943 -1.197 151 HG2 LYS 87 2HG LYS 87 -5.979 18.398 -2.502 152 HG3 LYS 87 3HG LYS 87 -5.744 19.776 -1.430 153 HD2 LYS 87 2HD LYS 87 -6.047 18.141 0.514 154 HD3 LYS 87 3HD LYS 87 -5.893 16.851 -0.678 155 HE2 LYS 87 2HE LYS 87 -3.684 17.623 -1.316 156 HE3 LYS 87 3HE LYS 87 -3.840 19.048 -0.288 157 HZ1 LYS 87 1HZ LYS 87 -3.804 17.726 1.641 158 HZ2 LYS 87 2HZ LYS 87 -2.540 17.144 0.666 159 HZ3 LYS 87 3HZ LYS 87 -4.003 16.285 0.769 160 H ASN 88 H ASN 88 -6.432 19.997 -4.254 161 HA ASN 88 HA ASN 88 -5.595 22.566 -3.240 162 HB2 ASN 88 2HB ASN 88 -3.994 22.567 -4.982 163 HB3 ASN 88 3HB ASN 88 -4.208 20.864 -4.591 164 HD21 ASN 88 1HD2 ASN 88 -6.283 19.935 -6.000 165 HD22 ASN 88 2HD2 ASN 88 -6.181 20.302 -7.652 166 H LEU 89 H LEU 89 -7.283 21.672 -6.276 167 HA LEU 89 HA LEU 89 -7.791 24.340 -7.112 168 HB2 LEU 89 2HB LEU 89 -8.098 22.592 -8.700 169 HB3 LEU 89 3HB LEU 89 -9.201 21.716 -7.646 170 HG LEU 89 HG LEU 89 -10.076 24.491 -8.333 171 HD11 LEU 89 1HD1 LEU 89 -9.988 22.304 -10.433 172 HD12 LEU 89 2HD1 LEU 89 -9.142 23.849 -10.497 173 HD13 LEU 89 3HD1 LEU 89 -10.903 23.804 -10.576 174 HD21 LEU 89 1HD2 LEU 89 -11.422 21.766 -8.376 175 HD22 LEU 89 2HD2 LEU 89 -12.244 23.299 -8.659 176 HD23 LEU 89 3HD2 LEU 89 -11.535 22.959 -7.083 177 H SER 90 H SER 90 -9.494 22.223 -4.863 178 HA SER 90 HA SER 90 -11.757 24.032 -4.589 179 HB2 SER 90 2HB SER 90 -12.537 22.511 -2.894 180 HB3 SER 90 3HB SER 90 -11.864 21.535 -4.198 181 HG SER 90 HG SER 90 -10.852 22.084 -1.639 182 H ARG 91 H ARG 91 -8.711 23.438 -2.905 183 HA ARG 91 HA ARG 91 -9.209 24.857 -0.515 184 HB2 ARG 91 2HB ARG 91 -7.163 23.560 -0.851 185 HB3 ARG 91 3HB ARG 91 -6.648 24.665 -2.126 186 HG2 ARG 91 2HG ARG 91 -6.415 26.483 -0.572 187 HG3 ARG 91 3HG ARG 91 -7.207 25.565 0.710 188 HD2 ARG 91 2HD ARG 91 -4.712 24.467 -0.567 189 HD3 ARG 91 3HD ARG 91 -4.582 25.721 0.665 190 HE ARG 91 HE ARG 91 -6.291 23.804 1.764 191 HH11 ARG 91 1HH1 ARG 91 -5.495 22.158 3.094 192 HH12 ARG 91 2HH1 ARG 91 -3.837 21.678 2.955 193 HH21 ARG 91 1HH2 ARG 91 -3.109 23.959 0.446 194 HH22 ARG 91 2HH2 ARG 91 -2.485 22.697 1.455 195 H LEU 92 H LEU 92 -8.136 26.065 -3.696 196 HA LEU 92 HA LEU 92 -7.615 28.738 -3.066 197 HB2 LEU 92 2HB LEU 92 -9.209 27.834 -5.483 198 HB3 LEU 92 3HB LEU 92 -8.228 29.293 -5.347 199 HG LEU 92 HG LEU 92 -7.165 26.457 -5.163 200 HD11 LEU 92 1HD1 LEU 92 -6.136 26.990 -7.366 201 HD12 LEU 92 2HD1 LEU 92 -7.011 28.522 -7.380 202 HD13 LEU 92 3HD1 LEU 92 -7.900 27.000 -7.435 203 HD21 LEU 92 1HD2 LEU 92 -4.961 27.826 -5.524 204 HD22 LEU 92 2HD2 LEU 92 -5.672 27.788 -3.913 205 HD23 LEU 92 3HD2 LEU 92 -5.910 29.197 -4.947 206 H PHE 93 H PHE 93 -10.600 27.040 -2.861 207 HA PHE 93 HA PHE 93 -12.078 29.599 -2.352 208 HB2 PHE 93 2HB PHE 93 -12.771 27.120 -3.810 209 HB3 PHE 93 3HB PHE 93 -14.026 27.641 -2.691 210 HD1 PHE 93 1HD PHE 93 -15.573 29.249 -3.404 211 HD2 PHE 93 2HD PHE 93 -11.735 29.031 -5.325 212 HE1 PHE 93 1HE PHE 93 -16.284 30.987 -5.020 213 HE2 PHE 93 2HE PHE 93 -12.449 30.772 -6.942 214 HZ PHE 93 HZ PHE 93 -14.723 31.749 -6.789 215 HA PRO 94 HA PRO 94 -11.828 28.282 2.000 216 HB2 PRO 94 2HB PRO 94 -14.511 29.652 1.955 217 HB3 PRO 94 3HB PRO 94 -13.217 29.757 3.170 218 HG2 PRO 94 2HG PRO 94 -13.547 31.681 1.368 219 HG3 PRO 94 3HG PRO 94 -11.925 31.162 1.864 220 HD2 PRO 94 2HD PRO 94 -13.339 30.673 -0.713 221 HD3 PRO 94 3HD PRO 94 -11.594 30.729 -0.378 222 H GLY 95 H GLY 95 -14.311 27.481 -0.265 223 HA2 GLY 95 2HA GLY 95 -16.154 25.992 1.174 224 HA3 GLY 95 3HA GLY 95 -15.621 25.546 -0.443 225 H TRP 96 H TRP 96 -12.801 25.392 1.128 226 HA TRP 96 HA TRP 96 -12.921 22.504 1.341 227 HB2 TRP 96 2HB TRP 96 -10.590 22.640 2.064 228 HB3 TRP 96 3HB TRP 96 -10.850 23.704 0.683 229 HD1 TRP 96 HD TRP 96 -10.928 26.322 1.141 230 HE1 TRP 96 1HE TRP 96 -9.977 27.753 3.065 231 HE3 TRP 96 3HE TRP 96 -10.077 22.679 4.610 232 HZ2 TRP 96 2HZ TRP 96 -8.988 27.400 5.716 233 HZ3 TRP 96 3HZ TRP 96 -9.129 23.252 6.828 234 HH2 TRP 96 HH TRP 96 -8.584 25.606 7.386 235 H LYS 97 H LYS 97 -13.772 25.009 3.475 236 HA LYS 97 HA LYS 97 -13.009 23.935 5.995 237 HB2 LYS 97 2HB LYS 97 -15.159 25.762 4.998 238 HB3 LYS 97 3HB LYS 97 -15.196 25.260 6.684 239 HG2 LYS 97 2HG LYS 97 -13.408 26.589 7.245 240 HG3 LYS 97 3HG LYS 97 -12.514 26.164 5.797 241 HD2 LYS 97 2HD LYS 97 -13.196 28.614 6.079 242 HD3 LYS 97 3HD LYS 97 -13.525 27.866 4.525 243 HE2 LYS 97 2HE LYS 97 -15.386 29.281 5.828 244 HE3 LYS 97 3HE LYS 97 -15.811 27.887 4.842 245 HZ1 LYS 97 1HZ LYS 97 -15.074 27.128 7.488 246 HZ2 LYS 97 2HZ LYS 97 -16.498 26.793 6.628 247 HZ3 LYS 97 3HZ LYS 97 -16.351 28.241 7.504 248 H ALA 98 H ALA 98 -15.131 22.637 3.704 249 HA ALA 98 HA ALA 98 -16.710 21.165 5.751 250 HB1 ALA 98 1HB ALA 98 -18.258 20.671 3.941 251 HB2 ALA 98 2HB ALA 98 -17.149 21.380 2.763 252 HB3 ALA 98 3HB ALA 98 -17.944 22.407 3.958 253 H TRP 99 H TRP 99 -14.250 20.890 3.380 254 HA TRP 99 HA TRP 99 -14.556 18.071 2.890 255 HB2 TRP 99 2HB TRP 99 -12.240 19.952 2.391 256 HB3 TRP 99 3HB TRP 99 -12.301 18.283 1.825 257 HD1 TRP 99 HD TRP 99 -14.835 21.230 1.709 258 HE1 TRP 99 1HE TRP 99 -15.769 21.382 -0.665 259 HE3 TRP 99 3HE TRP 99 -12.268 17.400 -0.488 260 HZ2 TRP 99 2HZ TRP 99 -15.490 20.056 -3.181 261 HZ3 TRP 99 3HZ TRP 99 -12.627 16.867 -2.882 262 HH2 TRP 99 HH TRP 99 -14.233 18.189 -4.232 263 H VAL 100 H VAL 100 -13.835 19.505 5.693 264 HA VAL 100 HA VAL 100 -11.425 18.530 6.673 265 HB VAL 100 HB VAL 100 -12.481 18.495 8.873 266 HG11 VAL 100 1HG1 VAL 100 -13.757 20.687 7.226 267 HG12 VAL 100 2HG1 VAL 100 -12.051 20.681 7.667 268 HG13 VAL 100 3HG1 VAL 100 -13.286 20.760 8.924 269 HG21 VAL 100 1HG2 VAL 100 -14.508 17.299 8.469 270 HG22 VAL 100 2HG2 VAL 100 -15.021 18.449 7.235 271 HG23 VAL 100 3HG2 VAL 100 -15.005 18.925 8.933 Start of MODEL 18 1 H THR 68 H THR 68 0.133 -9.220 -11.346 2 HA THR 68 HA THR 68 -1.424 -6.731 -11.144 3 HB THR 68 HB THR 68 0.317 -7.727 -8.906 4 HG1 THR 68 1HG THR 68 -1.119 -9.391 -8.498 5 HG21 THR 68 1HG2 THR 68 -1.555 -5.807 -8.958 6 HG22 THR 68 2HG2 THR 68 -1.342 -6.835 -7.542 7 HG23 THR 68 3HG2 THR 68 -2.623 -7.184 -8.702 8 H VAL 69 H VAL 69 -0.005 -5.086 -9.528 9 HA VAL 69 HA VAL 69 2.152 -4.170 -11.283 10 HB VAL 69 HB VAL 69 2.203 -2.244 -9.594 11 HG11 VAL 69 1HG1 VAL 69 0.168 -1.249 -10.520 12 HG12 VAL 69 2HG1 VAL 69 -0.431 -2.844 -10.976 13 HG13 VAL 69 3HG1 VAL 69 0.994 -2.178 -11.771 14 HG21 VAL 69 1HG2 VAL 69 1.077 -3.722 -7.815 15 HG22 VAL 69 2HG2 VAL 69 -0.424 -3.451 -8.700 16 HG23 VAL 69 3HG2 VAL 69 0.442 -2.086 -7.995 17 H LEU 70 H LEU 70 2.160 -6.508 -9.114 18 HA LEU 70 HA LEU 70 3.788 -7.455 -7.714 19 HB2 LEU 70 2HB LEU 70 5.727 -5.522 -8.996 20 HB3 LEU 70 3HB LEU 70 6.053 -7.136 -8.366 21 HG LEU 70 HG LEU 70 4.340 -6.490 -10.784 22 HD11 LEU 70 1HD1 LEU 70 6.865 -6.252 -10.995 23 HD12 LEU 70 2HD1 LEU 70 6.123 -7.417 -12.092 24 HD13 LEU 70 3HD1 LEU 70 6.973 -7.978 -10.651 25 HD21 LEU 70 1HD2 LEU 70 5.017 -9.066 -9.348 26 HD22 LEU 70 2HD2 LEU 70 4.522 -9.052 -11.041 27 HD23 LEU 70 3HD2 LEU 70 3.425 -8.453 -9.798 28 H SER 71 H SER 71 2.643 -4.462 -7.288 29 HA SER 71 HA SER 71 3.640 -4.229 -4.612 30 HB2 SER 71 2HB SER 71 4.998 -2.247 -4.799 31 HB3 SER 71 3HB SER 71 5.636 -3.413 -5.953 32 HG SER 71 HG SER 71 4.832 -2.262 -7.582 33 H VAL 72 H VAL 72 1.873 -3.577 -3.653 34 HA VAL 72 HA VAL 72 -0.361 -2.354 -4.836 35 HB VAL 72 HB VAL 72 -1.030 -1.821 -2.535 36 HG11 VAL 72 1HG1 VAL 72 -1.335 -4.115 -3.141 37 HG12 VAL 72 2HG1 VAL 72 -0.601 -4.131 -1.538 38 HG13 VAL 72 3HG1 VAL 72 0.386 -4.458 -2.964 39 HG21 VAL 72 1HG2 VAL 72 0.654 -2.398 -0.709 40 HG22 VAL 72 2HG2 VAL 72 0.994 -0.924 -1.615 41 HG23 VAL 72 3HG2 VAL 72 1.883 -2.405 -1.975 42 H GLY 73 H GLY 73 2.618 -0.946 -3.637 43 HA2 GLY 73 2HA GLY 73 1.935 1.728 -3.233 44 HA3 GLY 73 3HA GLY 73 3.465 1.229 -3.960 45 H GLY 74 H GLY 74 1.775 -0.105 -6.155 46 HA2 GLY 74 2HA GLY 74 1.808 2.194 -7.947 47 HA3 GLY 74 3HA GLY 74 1.333 0.549 -8.386 48 H GLN 75 H GLN 75 -0.684 0.210 -6.364 49 HA GLN 75 HA GLN 75 -2.906 1.458 -7.675 50 HB2 GLN 75 2HB GLN 75 -2.572 -0.077 -5.098 51 HB3 GLN 75 3HB GLN 75 -4.109 0.709 -5.463 52 HG2 GLN 75 2HG GLN 75 -4.105 -1.635 -6.246 53 HG3 GLN 75 3HG GLN 75 -4.233 -0.511 -7.602 54 HE21 GLN 75 1HE2 GLN 75 -2.136 -0.030 -8.788 55 HE22 GLN 75 2HE2 GLN 75 -0.939 -1.233 -8.839 56 H VAL 76 H VAL 76 -0.918 2.259 -4.895 57 HA VAL 76 HA VAL 76 -2.584 4.499 -4.052 58 HB VAL 76 HB VAL 76 0.365 4.211 -3.439 59 HG11 VAL 76 1HG1 VAL 76 -0.212 5.303 -1.397 60 HG12 VAL 76 2HG1 VAL 76 -1.934 5.007 -1.640 61 HG13 VAL 76 3HG1 VAL 76 -1.088 6.173 -2.657 62 HG21 VAL 76 1HG2 VAL 76 -0.523 1.981 -3.122 63 HG22 VAL 76 2HG2 VAL 76 -1.936 2.615 -2.280 64 HG23 VAL 76 3HG2 VAL 76 -0.343 2.725 -1.532 65 H ASN 77 H ASN 77 0.485 4.113 -5.836 66 HA ASN 77 HA ASN 77 0.919 6.842 -6.442 67 HB2 ASN 77 2HB ASN 77 2.412 4.751 -6.908 68 HB3 ASN 77 3HB ASN 77 1.507 4.626 -8.415 69 HD21 ASN 77 1HD2 ASN 77 2.970 7.358 -6.542 70 HD22 ASN 77 2HD2 ASN 77 3.748 8.045 -7.885 71 H LEU 78 H LEU 78 -1.173 4.415 -7.889 72 HA LEU 78 HA LEU 78 -1.941 5.962 -10.191 73 HB2 LEU 78 2HB LEU 78 -2.366 3.591 -10.208 74 HB3 LEU 78 3HB LEU 78 -3.245 3.672 -8.685 75 HG LEU 78 HG LEU 78 -5.056 4.929 -9.766 76 HD11 LEU 78 1HD1 LEU 78 -3.203 4.797 -12.151 77 HD12 LEU 78 2HD1 LEU 78 -3.922 6.228 -11.417 78 HD13 LEU 78 3HD1 LEU 78 -4.930 5.103 -12.324 79 HD21 LEU 78 1HD2 LEU 78 -5.941 3.148 -11.102 80 HD22 LEU 78 2HD2 LEU 78 -4.928 2.389 -9.872 81 HD23 LEU 78 3HD2 LEU 78 -4.326 2.573 -11.521 82 H LEU 79 H LEU 79 -3.176 5.711 -6.876 83 HA LEU 79 HA LEU 79 -5.546 7.188 -7.271 84 HB2 LEU 79 2HB LEU 79 -5.069 5.928 -5.207 85 HB3 LEU 79 3HB LEU 79 -3.773 7.057 -4.813 86 HG LEU 79 HG LEU 79 -5.368 8.891 -4.615 87 HD11 LEU 79 1HD1 LEU 79 -7.267 6.846 -5.741 88 HD12 LEU 79 2HD1 LEU 79 -7.073 8.545 -6.169 89 HD13 LEU 79 3HD1 LEU 79 -7.894 8.105 -4.676 90 HD21 LEU 79 1HD2 LEU 79 -4.974 7.253 -2.712 91 HD22 LEU 79 2HD2 LEU 79 -6.498 6.487 -3.159 92 HD23 LEU 79 3HD2 LEU 79 -6.480 8.166 -2.613 93 H ILE 80 H ILE 80 -2.219 8.309 -6.577 94 HA ILE 80 HA ILE 80 -3.161 11.087 -6.562 95 HB ILE 80 HB ILE 80 -1.294 10.145 -5.092 96 HG12 ILE 80 2HG1 ILE 80 -1.741 12.549 -5.274 97 HG13 ILE 80 3HG1 ILE 80 -0.012 12.245 -5.153 98 HG21 ILE 80 1HG2 ILE 80 -0.105 8.977 -6.911 99 HG22 ILE 80 2HG2 ILE 80 0.935 10.070 -6.007 100 HG23 ILE 80 3HG2 ILE 80 0.346 10.537 -7.599 101 HD11 ILE 80 1HD1 ILE 80 -0.157 12.281 -7.815 102 HD12 ILE 80 2HD1 ILE 80 -0.044 13.772 -6.889 103 HD13 ILE 80 3HD1 ILE 80 -1.607 13.226 -7.482 104 H GLN 81 H GLN 81 -1.019 9.102 -8.656 105 HA GLN 81 HA GLN 81 -0.390 10.958 -10.620 106 HB2 GLN 81 2HB GLN 81 -0.900 8.009 -10.666 107 HB3 GLN 81 3HB GLN 81 -0.817 8.822 -12.221 108 HG2 GLN 81 2HG GLN 81 1.380 7.860 -11.236 109 HG3 GLN 81 3HG GLN 81 1.415 9.486 -11.903 110 HE21 GLN 81 1HE2 GLN 81 1.034 7.769 -8.763 111 HE22 GLN 81 2HE2 GLN 81 1.733 9.006 -7.837 112 H GLN 82 H GLN 82 -3.544 9.435 -10.095 113 HA GLN 82 HA GLN 82 -4.593 10.699 -12.574 114 HB2 GLN 82 2HB GLN 82 -6.603 9.424 -12.185 115 HB3 GLN 82 3HB GLN 82 -5.225 8.354 -11.961 116 HG2 GLN 82 2HG GLN 82 -6.217 7.800 -9.974 117 HG3 GLN 82 3HG GLN 82 -5.574 9.328 -9.394 118 HE21 GLN 82 1HE2 GLN 82 -7.414 11.064 -10.907 119 HE22 GLN 82 2HE2 GLN 82 -8.952 10.853 -10.229 120 H ALA 83 H ALA 83 -4.751 11.053 -9.073 121 HA ALA 83 HA ALA 83 -7.022 12.727 -8.900 122 HB1 ALA 83 1HB ALA 83 -6.087 13.519 -6.783 123 HB2 ALA 83 2HB ALA 83 -4.507 12.876 -7.225 124 HB3 ALA 83 3HB ALA 83 -5.857 11.779 -6.937 125 H ILE 84 H ILE 84 -4.089 13.415 -10.515 126 HA ILE 84 HA ILE 84 -4.731 16.341 -10.463 127 HB ILE 84 HB ILE 84 -2.142 16.523 -10.974 128 HG12 ILE 84 2HG1 ILE 84 -0.889 14.780 -9.621 129 HG13 ILE 84 3HG1 ILE 84 -2.356 13.832 -9.583 130 HG21 ILE 84 1HG2 ILE 84 -3.279 15.906 -8.240 131 HG22 ILE 84 2HG2 ILE 84 -3.179 17.490 -9.010 132 HG23 ILE 84 3HG2 ILE 84 -1.706 16.652 -8.523 133 HD11 ILE 84 1HD1 ILE 84 -0.980 14.729 -12.122 134 HD12 ILE 84 2HD1 ILE 84 -2.364 13.640 -12.002 135 HD13 ILE 84 3HD1 ILE 84 -0.793 13.137 -11.392 136 H ASP 85 H ASP 85 -2.205 15.845 -12.535 137 HA ASP 85 HA ASP 85 -3.493 14.659 -14.775 138 HB2 ASP 85 2HB ASP 85 -4.969 16.348 -15.227 139 HB3 ASP 85 3HB ASP 85 -4.069 17.523 -14.285 140 HA PRO 86 HA PRO 86 0.569 16.626 -16.328 141 HB2 PRO 86 2HB PRO 86 1.882 18.508 -14.891 142 HB3 PRO 86 3HB PRO 86 0.495 18.926 -15.918 143 HG2 PRO 86 2HG PRO 86 0.571 18.457 -12.962 144 HG3 PRO 86 3HG PRO 86 -0.202 19.773 -13.866 145 HD2 PRO 86 2HD PRO 86 -1.602 17.600 -12.972 146 HD3 PRO 86 3HD PRO 86 -2.029 18.474 -14.459 147 H LYS 87 H LYS 87 0.829 16.678 -12.758 148 HA LYS 87 HA LYS 87 3.416 15.652 -12.479 149 HB2 LYS 87 2HB LYS 87 1.166 14.690 -10.709 150 HB3 LYS 87 3HB LYS 87 2.837 15.004 -10.267 151 HG2 LYS 87 2HG LYS 87 0.758 17.080 -11.029 152 HG3 LYS 87 3HG LYS 87 1.399 16.793 -9.420 153 HD2 LYS 87 2HD LYS 87 2.961 17.804 -11.817 154 HD3 LYS 87 3HD LYS 87 2.512 18.730 -10.390 155 HE2 LYS 87 2HE LYS 87 4.553 16.533 -10.638 156 HE3 LYS 87 3HE LYS 87 4.722 18.126 -9.908 157 HZ1 LYS 87 1HZ LYS 87 2.817 17.123 -8.377 158 HZ2 LYS 87 2HZ LYS 87 4.468 16.934 -8.030 159 HZ3 LYS 87 3HZ LYS 87 3.610 15.682 -8.790 160 H ASN 88 H ASN 88 0.695 14.107 -13.858 161 HA ASN 88 HA ASN 88 1.463 11.391 -13.235 162 HB2 ASN 88 2HB ASN 88 -0.383 10.765 -14.475 163 HB3 ASN 88 3HB ASN 88 -0.800 12.462 -14.264 164 HD21 ASN 88 1HD2 ASN 88 0.376 13.901 -16.118 165 HD22 ASN 88 2HD2 ASN 88 0.208 13.278 -17.689 166 H LEU 89 H LEU 89 1.899 13.421 -16.133 167 HA LEU 89 HA LEU 89 3.597 11.532 -17.485 168 HB2 LEU 89 2HB LEU 89 2.341 13.509 -18.513 169 HB3 LEU 89 3HB LEU 89 3.590 14.541 -17.826 170 HG LEU 89 HG LEU 89 5.256 12.916 -19.048 171 HD11 LEU 89 1HD1 LEU 89 3.701 11.212 -19.773 172 HD12 LEU 89 2HD1 LEU 89 4.238 12.080 -21.208 173 HD13 LEU 89 3HD1 LEU 89 2.650 12.413 -20.522 174 HD21 LEU 89 1HD2 LEU 89 4.866 14.272 -21.212 175 HD22 LEU 89 2HD2 LEU 89 5.168 15.186 -19.735 176 HD23 LEU 89 3HD2 LEU 89 3.523 15.024 -20.349 177 H SER 90 H SER 90 4.099 13.871 -14.975 178 HA SER 90 HA SER 90 6.957 14.106 -15.360 179 HB2 SER 90 2HB SER 90 5.546 14.699 -12.771 180 HB3 SER 90 3HB SER 90 6.948 15.503 -13.475 181 HG SER 90 HG SER 90 5.596 16.358 -15.059 182 H ARG 91 H ARG 91 4.905 12.325 -13.036 183 HA ARG 91 HA ARG 91 7.279 10.998 -11.912 184 HB2 ARG 91 2HB ARG 91 4.312 10.799 -11.355 185 HB3 ARG 91 3HB ARG 91 5.495 9.750 -10.571 186 HG2 ARG 91 2HG ARG 91 6.647 11.656 -9.619 187 HG3 ARG 91 3HG ARG 91 5.638 12.777 -10.532 188 HD2 ARG 91 2HD ARG 91 3.697 12.216 -9.272 189 HD3 ARG 91 3HD ARG 91 4.467 10.792 -8.577 190 HE ARG 91 HE ARG 91 4.822 13.563 -7.674 191 HH11 ARG 91 1HH1 ARG 91 6.070 13.799 -5.807 192 HH12 ARG 91 2HH1 ARG 91 7.009 12.462 -5.234 193 HH21 ARG 91 1HH2 ARG 91 6.019 10.330 -7.784 194 HH22 ARG 91 2HH2 ARG 91 6.981 10.498 -6.354 195 H LEU 92 H LEU 92 4.414 9.979 -13.844 196 HA LEU 92 HA LEU 92 4.874 7.236 -13.997 197 HB2 LEU 92 2HB LEU 92 4.054 9.125 -16.217 198 HB3 LEU 92 3HB LEU 92 4.002 7.375 -16.373 199 HG LEU 92 HG LEU 92 2.607 8.838 -14.116 200 HD11 LEU 92 1HD1 LEU 92 1.779 9.632 -16.342 201 HD12 LEU 92 2HD1 LEU 92 0.555 8.760 -15.420 202 HD13 LEU 92 3HD1 LEU 92 1.390 7.961 -16.752 203 HD21 LEU 92 1HD2 LEU 92 1.161 6.657 -14.374 204 HD22 LEU 92 2HD2 LEU 92 2.712 6.563 -13.550 205 HD23 LEU 92 3HD2 LEU 92 2.572 6.027 -15.222 206 H PHE 93 H PHE 93 6.867 9.771 -15.109 207 HA PHE 93 HA PHE 93 8.656 7.852 -16.564 208 HB2 PHE 93 2HB PHE 93 8.159 10.818 -16.881 209 HB3 PHE 93 3HB PHE 93 9.630 10.062 -17.492 210 HD1 PHE 93 1HD PHE 93 5.967 10.282 -17.845 211 HD2 PHE 93 2HD PHE 93 9.565 8.475 -19.346 212 HE1 PHE 93 1HE PHE 93 4.743 9.516 -19.861 213 HE2 PHE 93 2HE PHE 93 8.340 7.710 -21.361 214 HZ PHE 93 HZ PHE 93 5.930 8.230 -21.618 215 HA PRO 94 HA PRO 94 10.542 8.614 -12.348 216 HB2 PRO 94 2HB PRO 94 12.380 6.679 -13.744 217 HB3 PRO 94 3HB PRO 94 11.887 6.728 -12.037 218 HG2 PRO 94 2HG PRO 94 10.746 5.018 -13.695 219 HG3 PRO 94 3HG PRO 94 9.775 5.879 -12.486 220 HD2 PRO 94 2HD PRO 94 9.904 6.303 -15.440 221 HD3 PRO 94 3HD PRO 94 8.551 6.587 -14.322 222 H GLY 95 H GLY 95 11.600 9.230 -15.546 223 HA2 GLY 95 2HA GLY 95 14.269 10.092 -15.130 224 HA3 GLY 95 3HA GLY 95 13.215 10.677 -16.413 225 H TRP 96 H TRP 96 11.373 11.478 -13.898 226 HA TRP 96 HA TRP 96 12.035 14.236 -14.003 227 HB2 TRP 96 2HB TRP 96 10.544 14.532 -12.088 228 HB3 TRP 96 3HB TRP 96 9.832 13.391 -13.229 229 HD1 TRP 96 HD TRP 96 9.898 10.808 -12.590 230 HE1 TRP 96 1HE TRP 96 10.064 9.619 -10.303 231 HE3 TRP 96 3HE TRP 96 11.525 14.686 -9.699 232 HZ2 TRP 96 2HZ TRP 96 10.787 10.235 -7.613 233 HZ3 TRP 96 3HZ TRP 96 11.941 14.360 -7.278 234 HH2 TRP 96 HH TRP 96 11.575 12.142 -6.231 235 H LYS 97 H LYS 97 13.469 11.675 -12.229 236 HA LYS 97 HA LYS 97 14.540 13.180 -10.046 237 HB2 LYS 97 2HB LYS 97 16.108 11.335 -9.783 238 HB3 LYS 97 3HB LYS 97 14.501 10.710 -10.126 239 HG2 LYS 97 2HG LYS 97 15.113 10.383 -12.485 240 HG3 LYS 97 3HG LYS 97 16.714 11.044 -12.177 241 HD2 LYS 97 2HD LYS 97 16.791 8.590 -12.172 242 HD3 LYS 97 3HD LYS 97 17.170 9.229 -10.574 243 HE2 LYS 97 2HE LYS 97 14.312 8.538 -11.196 244 HE3 LYS 97 3HE LYS 97 15.444 7.233 -10.843 245 HZ1 LYS 97 1HZ LYS 97 14.241 9.082 -9.062 246 HZ2 LYS 97 2HZ LYS 97 15.934 9.178 -8.956 247 HZ3 LYS 97 3HZ LYS 97 15.148 7.691 -8.712 248 H ALA 98 H ALA 98 15.128 13.395 -13.322 249 HA ALA 98 HA ALA 98 17.911 14.365 -13.001 250 HB1 ALA 98 1HB ALA 98 18.016 14.262 -15.423 251 HB2 ALA 98 2HB ALA 98 16.275 13.985 -15.520 252 HB3 ALA 98 3HB ALA 98 17.331 12.744 -14.841 253 H TRP 99 H TRP 99 14.674 15.378 -13.333 254 HA TRP 99 HA TRP 99 15.155 17.884 -14.622 255 HB2 TRP 99 2HB TRP 99 12.847 17.058 -12.853 256 HB3 TRP 99 3HB TRP 99 12.868 18.457 -13.923 257 HD1 TRP 99 HD TRP 99 14.673 15.899 -15.761 258 HE1 TRP 99 1HE TRP 99 13.159 14.648 -17.398 259 HE3 TRP 99 3HE TRP 99 10.082 17.353 -14.024 260 HZ2 TRP 99 2HZ TRP 99 10.385 14.314 -17.943 261 HZ3 TRP 99 3HZ TRP 99 8.018 16.548 -15.140 262 HH2 TRP 99 HH TRP 99 8.166 15.031 -17.098 263 H VAL 100 H VAL 100 16.397 16.951 -11.802 264 HA VAL 100 HA VAL 100 15.763 18.712 -9.771 265 HB VAL 100 HB VAL 100 18.067 18.547 -9.033 266 HG11 VAL 100 1HG1 VAL 100 16.558 16.487 -9.091 267 HG12 VAL 100 2HG1 VAL 100 18.291 16.174 -8.983 268 HG13 VAL 100 3HG1 VAL 100 17.458 15.998 -10.526 269 HG21 VAL 100 1HG2 VAL 100 19.733 17.449 -10.642 270 HG22 VAL 100 2HG2 VAL 100 19.304 19.123 -10.992 271 HG23 VAL 100 3HG2 VAL 100 18.575 17.815 -11.922 Start of MODEL 19 1 H THR 68 H THR 68 -4.002 -10.924 -8.411 2 HA THR 68 HA THR 68 -2.633 -9.196 -10.348 3 HB THR 68 HB THR 68 -3.177 -8.331 -7.521 4 HG1 THR 68 1HG THR 68 -5.253 -8.555 -9.411 5 HG21 THR 68 1HG2 THR 68 -2.393 -6.919 -9.651 6 HG22 THR 68 2HG2 THR 68 -3.521 -6.238 -8.481 7 HG23 THR 68 3HG2 THR 68 -4.121 -6.919 -9.992 8 H VAL 69 H VAL 69 -0.882 -7.674 -9.040 9 HA VAL 69 HA VAL 69 1.203 -9.572 -8.141 10 HB VAL 69 HB VAL 69 2.679 -7.489 -8.446 11 HG11 VAL 69 1HG1 VAL 69 2.668 -9.283 -10.088 12 HG12 VAL 69 2HG1 VAL 69 2.640 -7.739 -10.941 13 HG13 VAL 69 3HG1 VAL 69 1.161 -8.686 -10.784 14 HG21 VAL 69 1HG2 VAL 69 0.287 -6.519 -10.029 15 HG22 VAL 69 2HG2 VAL 69 1.776 -5.645 -9.667 16 HG23 VAL 69 3HG2 VAL 69 0.610 -5.969 -8.385 17 H LEU 70 H LEU 70 -1.146 -8.108 -6.577 18 HA LEU 70 HA LEU 70 -1.408 -7.196 -4.423 19 HB2 LEU 70 2HB LEU 70 1.303 -8.462 -3.938 20 HB3 LEU 70 3HB LEU 70 0.080 -8.079 -2.728 21 HG LEU 70 HG LEU 70 -0.223 -10.092 -4.977 22 HD11 LEU 70 1HD1 LEU 70 0.283 -10.336 -2.005 23 HD12 LEU 70 2HD1 LEU 70 1.209 -11.041 -3.331 24 HD13 LEU 70 3HD1 LEU 70 -0.397 -11.662 -2.949 25 HD21 LEU 70 1HD2 LEU 70 -2.404 -9.287 -4.594 26 HD22 LEU 70 2HD2 LEU 70 -2.112 -9.025 -2.875 27 HD23 LEU 70 3HD2 LEU 70 -2.309 -10.663 -3.498 28 H SER 71 H SER 71 0.635 -5.978 -6.571 29 HA SER 71 HA SER 71 2.373 -4.326 -4.997 30 HB2 SER 71 2HB SER 71 1.367 -3.784 -7.801 31 HB3 SER 71 3HB SER 71 2.828 -3.140 -7.058 32 HG SER 71 HG SER 71 3.742 -5.133 -7.126 33 H VAL 72 H VAL 72 1.654 -2.871 -3.654 34 HA VAL 72 HA VAL 72 -0.979 -1.619 -4.026 35 HB VAL 72 HB VAL 72 -0.561 -0.717 -1.787 36 HG11 VAL 72 1HG1 VAL 72 0.069 -3.641 -2.249 37 HG12 VAL 72 2HG1 VAL 72 -1.480 -2.919 -1.809 38 HG13 VAL 72 3HG1 VAL 72 -0.168 -2.970 -0.633 39 HG21 VAL 72 1HG2 VAL 72 1.766 -0.210 -1.784 40 HG22 VAL 72 2HG2 VAL 72 2.200 -1.846 -2.283 41 HG23 VAL 72 3HG2 VAL 72 1.599 -1.551 -0.652 42 H GLY 73 H GLY 73 2.436 -0.562 -3.780 43 HA2 GLY 73 2HA GLY 73 2.069 2.206 -4.035 44 HA3 GLY 73 3HA GLY 73 3.452 1.348 -4.719 45 H GLY 74 H GLY 74 1.164 -0.227 -6.230 46 HA2 GLY 74 2HA GLY 74 1.347 1.424 -8.645 47 HA3 GLY 74 3HA GLY 74 0.579 -0.160 -8.526 48 H GLN 75 H GLN 75 -1.214 0.368 -6.395 49 HA GLN 75 HA GLN 75 -3.244 1.895 -7.839 50 HB2 GLN 75 2HB GLN 75 -3.241 0.304 -5.272 51 HB3 GLN 75 3HB GLN 75 -4.634 1.269 -5.760 52 HG2 GLN 75 2HG GLN 75 -4.955 -1.006 -6.553 53 HG3 GLN 75 3HG GLN 75 -4.655 0.036 -7.944 54 HE21 GLN 75 1HE2 GLN 75 -3.256 -2.519 -5.932 55 HE22 GLN 75 2HE2 GLN 75 -1.940 -2.847 -6.953 56 H VAL 76 H VAL 76 -1.417 2.160 -4.811 57 HA VAL 76 HA VAL 76 -2.658 4.556 -3.869 58 HB VAL 76 HB VAL 76 0.231 3.735 -3.444 59 HG11 VAL 76 1HG1 VAL 76 -1.721 5.223 -1.663 60 HG12 VAL 76 2HG1 VAL 76 -0.490 6.001 -2.658 61 HG13 VAL 76 3HG1 VAL 76 -0.012 4.932 -1.339 62 HG21 VAL 76 1HG2 VAL 76 -1.336 1.841 -3.015 63 HG22 VAL 76 2HG2 VAL 76 -2.239 2.871 -1.903 64 HG23 VAL 76 3HG2 VAL 76 -0.572 2.424 -1.535 65 H ASN 77 H ASN 77 0.444 4.119 -5.620 66 HA ASN 77 HA ASN 77 0.939 6.870 -6.062 67 HB2 ASN 77 2HB ASN 77 2.551 4.985 -6.540 68 HB3 ASN 77 3HB ASN 77 1.608 4.621 -7.985 69 HD21 ASN 77 1HD2 ASN 77 1.330 7.904 -7.617 70 HD22 ASN 77 2HD2 ASN 77 2.636 8.411 -8.576 71 H LEU 78 H LEU 78 -0.647 4.498 -8.218 72 HA LEU 78 HA LEU 78 -1.434 6.199 -10.292 73 HB2 LEU 78 2HB LEU 78 -1.900 3.818 -10.393 74 HB3 LEU 78 3HB LEU 78 -2.964 3.923 -8.994 75 HG LEU 78 HG LEU 78 -4.562 5.270 -10.242 76 HD11 LEU 78 1HD1 LEU 78 -4.055 5.532 -12.781 77 HD12 LEU 78 2HD1 LEU 78 -2.373 5.267 -12.323 78 HD13 LEU 78 3HD1 LEU 78 -3.264 6.638 -11.661 79 HD21 LEU 78 1HD2 LEU 78 -4.519 2.743 -10.490 80 HD22 LEU 78 2HD2 LEU 78 -3.681 2.984 -12.023 81 HD23 LEU 78 3HD2 LEU 78 -5.316 3.607 -11.805 82 H LEU 79 H LEU 79 -2.814 5.831 -7.076 83 HA LEU 79 HA LEU 79 -5.151 7.406 -7.481 84 HB2 LEU 79 2HB LEU 79 -4.019 5.957 -5.364 85 HB3 LEU 79 3HB LEU 79 -4.012 7.609 -4.765 86 HG LEU 79 HG LEU 79 -6.490 7.681 -5.590 87 HD11 LEU 79 1HD1 LEU 79 -6.200 4.687 -5.229 88 HD12 LEU 79 2HD1 LEU 79 -6.214 5.454 -6.816 89 HD13 LEU 79 3HD1 LEU 79 -7.624 5.576 -5.765 90 HD21 LEU 79 1HD2 LEU 79 -7.208 6.475 -3.445 91 HD22 LEU 79 2HD2 LEU 79 -6.032 7.774 -3.246 92 HD23 LEU 79 3HD2 LEU 79 -5.502 6.092 -3.211 93 H ILE 80 H ILE 80 -1.830 8.316 -6.546 94 HA ILE 80 HA ILE 80 -2.585 11.088 -6.118 95 HB ILE 80 HB ILE 80 -0.500 9.631 -5.247 96 HG12 ILE 80 2HG1 ILE 80 -1.070 11.817 -4.356 97 HG13 ILE 80 3HG1 ILE 80 0.657 11.773 -4.696 98 HG21 ILE 80 1HG2 ILE 80 1.523 9.942 -6.398 99 HG22 ILE 80 2HG2 ILE 80 0.876 11.245 -7.391 100 HG23 ILE 80 3HG2 ILE 80 0.382 9.587 -7.689 101 HD11 ILE 80 1HD1 ILE 80 -1.523 13.174 -6.240 102 HD12 ILE 80 2HD1 ILE 80 0.032 12.804 -6.990 103 HD13 ILE 80 3HD1 ILE 80 -0.040 13.851 -5.574 104 H GLN 81 H GLN 81 -1.681 9.173 -8.852 105 HA GLN 81 HA GLN 81 -0.761 11.370 -10.481 106 HB2 GLN 81 2HB GLN 81 -1.551 8.514 -11.024 107 HB3 GLN 81 3HB GLN 81 -1.217 9.613 -12.363 108 HG2 GLN 81 2HG GLN 81 1.046 9.705 -11.914 109 HG3 GLN 81 3HG GLN 81 0.815 9.617 -10.169 110 HE21 GLN 81 1HE2 GLN 81 0.538 7.477 -9.201 111 HE22 GLN 81 2HE2 GLN 81 1.011 6.074 -10.036 112 H GLN 82 H GLN 82 -3.923 9.585 -10.425 113 HA GLN 82 HA GLN 82 -4.971 11.538 -12.363 114 HB2 GLN 82 2HB GLN 82 -6.594 9.979 -12.772 115 HB3 GLN 82 3HB GLN 82 -5.535 8.901 -11.875 116 HG2 GLN 82 2HG GLN 82 -7.896 10.437 -10.759 117 HG3 GLN 82 3HG GLN 82 -7.792 8.701 -11.014 118 HE21 GLN 82 1HE2 GLN 82 -4.865 8.829 -10.115 119 HE22 GLN 82 2HE2 GLN 82 -4.966 8.902 -8.428 120 H ALA 83 H ALA 83 -4.785 11.204 -8.945 121 HA ALA 83 HA ALA 83 -7.074 12.938 -8.395 122 HB1 ALA 83 1HB ALA 83 -6.352 11.150 -6.810 123 HB2 ALA 83 2HB ALA 83 -6.414 12.744 -6.062 124 HB3 ALA 83 3HB ALA 83 -4.862 12.052 -6.527 125 H ILE 84 H ILE 84 -3.621 13.268 -7.536 126 HA ILE 84 HA ILE 84 -2.507 15.267 -6.929 127 HB ILE 84 HB ILE 84 -2.502 16.619 -9.399 128 HG12 ILE 84 2HG1 ILE 84 -2.160 14.628 -10.984 129 HG13 ILE 84 3HG1 ILE 84 -3.025 13.654 -9.804 130 HG21 ILE 84 1HG2 ILE 84 -0.749 14.280 -8.623 131 HG22 ILE 84 2HG2 ILE 84 -0.546 15.919 -8.012 132 HG23 ILE 84 3HG2 ILE 84 -0.345 15.587 -9.732 133 HD11 ILE 84 1HD1 ILE 84 -4.075 15.456 -11.798 134 HD12 ILE 84 2HD1 ILE 84 -4.586 16.011 -10.209 135 HD13 ILE 84 3HD1 ILE 84 -4.956 14.373 -10.734 136 H ASP 85 H ASP 85 -4.189 16.112 -5.515 137 HA ASP 85 HA ASP 85 -5.657 17.811 -4.812 138 HB2 ASP 85 2HB ASP 85 -3.531 19.066 -5.531 139 HB3 ASP 85 3HB ASP 85 -4.400 19.457 -7.015 140 HA PRO 86 HA PRO 86 -8.345 17.135 -8.594 141 HB2 PRO 86 2HB PRO 86 -10.118 15.371 -7.537 142 HB3 PRO 86 3HB PRO 86 -8.551 14.852 -8.193 143 HG2 PRO 86 2HG PRO 86 -9.348 15.308 -5.347 144 HG3 PRO 86 3HG PRO 86 -8.399 13.986 -6.049 145 HD2 PRO 86 2HD PRO 86 -7.254 16.136 -4.773 146 HD3 PRO 86 3HD PRO 86 -6.432 15.224 -6.059 147 H LYS 87 H LYS 87 -8.704 18.331 -5.449 148 HA LYS 87 HA LYS 87 -11.494 18.905 -5.362 149 HB2 LYS 87 2HB LYS 87 -9.406 20.784 -4.246 150 HB3 LYS 87 3HB LYS 87 -11.001 20.416 -3.601 151 HG2 LYS 87 2HG LYS 87 -8.641 18.507 -3.683 152 HG3 LYS 87 3HG LYS 87 -9.234 19.347 -2.258 153 HD2 LYS 87 2HD LYS 87 -10.778 17.297 -3.880 154 HD3 LYS 87 3HD LYS 87 -10.071 17.046 -2.289 155 HE2 LYS 87 2HE LYS 87 -12.244 17.558 -1.663 156 HE3 LYS 87 3HE LYS 87 -11.564 19.184 -1.678 157 HZ1 LYS 87 1HZ LYS 87 -12.627 18.138 -4.191 158 HZ2 LYS 87 2HZ LYS 87 -12.653 19.722 -3.575 159 HZ3 LYS 87 3HZ LYS 87 -13.747 18.561 -2.992 160 H ASN 88 H ASN 88 -8.844 20.323 -7.113 161 HA ASN 88 HA ASN 88 -10.404 22.714 -7.864 162 HB2 ASN 88 2HB ASN 88 -8.277 22.922 -9.463 163 HB3 ASN 88 3HB ASN 88 -8.152 23.296 -7.743 164 HD21 ASN 88 1HD2 ASN 88 -7.406 20.810 -10.180 165 HD22 ASN 88 2HD2 ASN 88 -6.311 19.953 -9.208 166 H LEU 89 H LEU 89 -8.703 20.255 -9.846 167 HA LEU 89 HA LEU 89 -10.019 20.664 -12.254 168 HB2 LEU 89 2HB LEU 89 -8.164 18.992 -11.788 169 HB3 LEU 89 3HB LEU 89 -9.398 17.917 -11.134 170 HG LEU 89 HG LEU 89 -10.607 18.326 -13.440 171 HD11 LEU 89 1HD1 LEU 89 -7.733 19.073 -14.061 172 HD12 LEU 89 2HD1 LEU 89 -9.169 20.061 -14.326 173 HD13 LEU 89 3HD1 LEU 89 -8.914 18.606 -15.283 174 HD21 LEU 89 1HD2 LEU 89 -9.408 16.408 -14.404 175 HD22 LEU 89 2HD2 LEU 89 -9.670 16.162 -12.678 176 HD23 LEU 89 3HD2 LEU 89 -8.082 16.652 -13.267 177 H SER 90 H SER 90 -11.249 19.129 -9.366 178 HA SER 90 HA SER 90 -13.617 18.070 -10.694 179 HB2 SER 90 2HB SER 90 -14.282 17.332 -8.477 180 HB3 SER 90 3HB SER 90 -12.575 16.969 -8.711 181 HG SER 90 HG SER 90 -13.815 18.812 -7.046 182 H ARG 91 H ARG 91 -12.874 20.817 -8.546 183 HA ARG 91 HA ARG 91 -15.662 21.680 -8.487 184 HB2 ARG 91 2HB ARG 91 -14.150 22.127 -6.611 185 HB3 ARG 91 3HB ARG 91 -13.124 23.105 -7.660 186 HG2 ARG 91 2HG ARG 91 -14.896 24.716 -8.010 187 HG3 ARG 91 3HG ARG 91 -16.056 23.691 -7.169 188 HD2 ARG 91 2HD ARG 91 -15.534 24.928 -5.318 189 HD3 ARG 91 3HD ARG 91 -14.029 24.014 -5.272 190 HE ARG 91 HE ARG 91 -14.342 26.792 -6.164 191 HH11 ARG 91 1HH1 ARG 91 -12.409 27.861 -6.636 192 HH12 ARG 91 2HH1 ARG 91 -10.947 26.948 -6.799 193 HH21 ARG 91 1HH2 ARG 91 -12.465 23.897 -6.163 194 HH22 ARG 91 2HH2 ARG 91 -10.978 24.706 -6.528 195 H LEU 92 H LEU 92 -12.966 22.215 -10.599 196 HA LEU 92 HA LEU 92 -14.095 24.708 -11.697 197 HB2 LEU 92 2HB LEU 92 -11.717 23.073 -12.614 198 HB3 LEU 92 3HB LEU 92 -12.118 24.705 -13.141 199 HG LEU 92 HG LEU 92 -11.625 23.983 -10.242 200 HD11 LEU 92 1HD1 LEU 92 -9.676 25.183 -12.231 201 HD12 LEU 92 2HD1 LEU 92 -9.612 23.525 -11.633 202 HD13 LEU 92 3HD1 LEU 92 -9.364 24.873 -10.523 203 HD21 LEU 92 1HD2 LEU 92 -11.925 26.563 -11.789 204 HD22 LEU 92 2HD2 LEU 92 -11.101 26.521 -10.233 205 HD23 LEU 92 3HD2 LEU 92 -12.791 26.040 -10.345 206 H PHE 93 H PHE 93 -15.062 21.610 -12.069 207 HA PHE 93 HA PHE 93 -16.146 22.236 -14.725 208 HB2 PHE 93 2HB PHE 93 -13.973 20.222 -14.330 209 HB3 PHE 93 3HB PHE 93 -15.257 19.817 -15.475 210 HD1 PHE 93 1HD PHE 93 -15.660 21.263 -17.457 211 HD2 PHE 93 2HD PHE 93 -12.372 21.959 -14.779 212 HE1 PHE 93 1HE PHE 93 -14.581 22.713 -19.157 213 HE2 PHE 93 2HE PHE 93 -11.295 23.409 -16.479 214 HZ PHE 93 HZ PHE 93 -12.399 23.785 -18.668 215 HA PRO 94 HA PRO 94 -18.638 18.433 -13.452 216 HB2 PRO 94 2HB PRO 94 -17.776 16.583 -11.686 217 HB3 PRO 94 3HB PRO 94 -17.198 16.594 -13.366 218 HG2 PRO 94 2HG PRO 94 -15.901 17.770 -10.939 219 HG3 PRO 94 3HG PRO 94 -15.201 16.674 -12.146 220 HD2 PRO 94 2HD PRO 94 -14.781 19.336 -12.317 221 HD3 PRO 94 3HD PRO 94 -15.034 18.335 -13.767 222 H GLY 95 H GLY 95 -16.808 19.273 -10.515 223 HA2 GLY 95 2HA GLY 95 -18.647 18.938 -8.517 224 HA3 GLY 95 3HA GLY 95 -17.558 20.319 -8.537 225 H TRP 96 H TRP 96 -18.681 21.670 -10.824 226 HA TRP 96 HA TRP 96 -21.012 22.854 -9.485 227 HB2 TRP 96 2HB TRP 96 -19.461 23.519 -11.992 228 HB3 TRP 96 3HB TRP 96 -20.954 24.361 -11.580 229 HD1 TRP 96 HD TRP 96 -18.738 23.273 -8.714 230 HE1 TRP 96 1HE TRP 96 -17.656 25.346 -7.639 231 HE3 TRP 96 3HE TRP 96 -20.054 26.836 -12.132 232 HZ2 TRP 96 2HZ TRP 96 -17.381 28.135 -8.149 233 HZ3 TRP 96 3HZ TRP 96 -19.367 29.196 -11.808 234 HH2 TRP 96 HH TRP 96 -18.034 29.850 -9.822 235 H LYS 97 H LYS 97 -20.448 20.602 -12.077 236 HA LYS 97 HA LYS 97 -22.903 20.940 -13.484 237 HB2 LYS 97 2HB LYS 97 -21.067 18.564 -13.153 238 HB3 LYS 97 3HB LYS 97 -22.498 18.518 -14.179 239 HG2 LYS 97 2HG LYS 97 -20.318 20.607 -14.445 240 HG3 LYS 97 3HG LYS 97 -20.336 19.110 -15.368 241 HD2 LYS 97 2HD LYS 97 -21.675 20.121 -16.910 242 HD3 LYS 97 3HD LYS 97 -22.947 20.216 -15.699 243 HE2 LYS 97 2HE LYS 97 -22.660 22.450 -16.406 244 HE3 LYS 97 3HE LYS 97 -21.746 22.377 -14.900 245 HZ1 LYS 97 1HZ LYS 97 -20.783 23.202 -17.297 246 HZ2 LYS 97 2HZ LYS 97 -20.206 21.607 -17.194 247 HZ3 LYS 97 3HZ LYS 97 -19.841 22.726 -15.969 248 H ALA 98 H ALA 98 -22.402 19.868 -10.299 249 HA ALA 98 HA ALA 98 -24.978 18.365 -10.299 250 HB1 ALA 98 1HB ALA 98 -22.719 18.271 -8.289 251 HB2 ALA 98 2HB ALA 98 -22.960 17.080 -9.567 252 HB3 ALA 98 3HB ALA 98 -24.162 17.258 -8.289 253 H TRP 99 H TRP 99 -23.230 21.099 -9.183 254 HA TRP 99 HA TRP 99 -24.954 21.631 -6.909 255 HB2 TRP 99 2HB TRP 99 -23.032 23.511 -8.295 256 HB3 TRP 99 3HB TRP 99 -23.688 23.685 -6.669 257 HD1 TRP 99 HD TRP 99 -23.072 20.153 -6.817 258 HE1 TRP 99 1HE TRP 99 -20.758 19.522 -5.904 259 HE3 TRP 99 3HE TRP 99 -20.820 24.748 -6.822 260 HZ2 TRP 99 2HZ TRP 99 -18.288 20.775 -5.243 261 HZ3 TRP 99 3HZ TRP 99 -18.481 24.991 -6.037 262 HH2 TRP 99 HH TRP 99 -17.212 23.012 -5.248 263 H VAL 100 H VAL 100 -25.385 21.892 -10.202 264 HA VAL 100 HA VAL 100 -26.597 24.406 -10.585 265 HB VAL 100 HB VAL 100 -27.956 23.154 -12.352 266 HG11 VAL 100 1HG1 VAL 100 -25.742 24.228 -12.768 267 HG12 VAL 100 2HG1 VAL 100 -26.000 22.796 -13.765 268 HG13 VAL 100 3HG1 VAL 100 -24.960 22.705 -12.343 269 HG21 VAL 100 1HG2 VAL 100 -27.510 20.842 -12.722 270 HG22 VAL 100 2HG2 VAL 100 -27.826 20.982 -10.993 271 HG23 VAL 100 3HG2 VAL 100 -26.168 20.844 -11.579 Start of MODEL 20 1 H THR 68 H THR 68 0.507 -4.650 -13.393 2 HA THR 68 HA THR 68 2.536 -5.154 -11.308 3 HB THR 68 HB THR 68 -0.216 -3.905 -11.037 4 HG1 THR 68 1HG THR 68 2.206 -2.956 -12.001 5 HG21 THR 68 1HG2 THR 68 0.579 -4.413 -8.875 6 HG22 THR 68 2HG2 THR 68 1.064 -2.736 -9.118 7 HG23 THR 68 3HG2 THR 68 2.247 -4.029 -9.301 8 H VAL 69 H VAL 69 1.590 -6.057 -9.143 9 HA VAL 69 HA VAL 69 -0.635 -7.904 -9.408 10 HB VAL 69 HB VAL 69 1.067 -9.232 -10.527 11 HG11 VAL 69 1HG1 VAL 69 2.756 -9.150 -8.025 12 HG12 VAL 69 2HG1 VAL 69 2.971 -7.955 -9.303 13 HG13 VAL 69 3HG1 VAL 69 3.211 -9.666 -9.647 14 HG21 VAL 69 1HG2 VAL 69 0.885 -10.327 -7.716 15 HG22 VAL 69 2HG2 VAL 69 0.860 -11.211 -9.242 16 HG23 VAL 69 3HG2 VAL 69 -0.533 -10.242 -8.763 17 H LEU 70 H LEU 70 -1.614 -7.688 -7.489 18 HA LEU 70 HA LEU 70 -1.934 -7.309 -5.197 19 HB2 LEU 70 2HB LEU 70 0.610 -8.935 -4.962 20 HB3 LEU 70 3HB LEU 70 -0.646 -8.754 -3.739 21 HG LEU 70 HG LEU 70 -1.077 -9.993 -6.475 22 HD11 LEU 70 1HD1 LEU 70 -0.609 -11.220 -3.746 23 HD12 LEU 70 2HD1 LEU 70 0.346 -11.462 -5.208 24 HD13 LEU 70 3HD1 LEU 70 -1.288 -12.117 -5.103 25 HD21 LEU 70 1HD2 LEU 70 -3.173 -10.852 -5.174 26 HD22 LEU 70 2HD2 LEU 70 -3.177 -9.187 -5.747 27 HD23 LEU 70 3HD2 LEU 70 -2.829 -9.533 -4.054 28 H SER 71 H SER 71 0.462 -5.778 -6.791 29 HA SER 71 HA SER 71 1.879 -4.707 -4.474 30 HB2 SER 71 2HB SER 71 2.632 -5.032 -7.088 31 HB3 SER 71 3HB SER 71 2.198 -3.326 -7.078 32 HG SER 71 HG SER 71 3.513 -3.442 -4.970 33 H VAL 72 H VAL 72 0.679 -3.462 -3.241 34 HA VAL 72 HA VAL 72 -1.438 -1.774 -4.296 35 HB VAL 72 HB VAL 72 -1.738 -1.170 -1.948 36 HG11 VAL 72 1HG1 VAL 72 -2.631 -3.326 -2.710 37 HG12 VAL 72 2HG1 VAL 72 -2.057 -3.470 -1.048 38 HG13 VAL 72 3HG1 VAL 72 -1.080 -4.100 -2.377 39 HG21 VAL 72 1HG2 VAL 72 0.942 -2.542 -1.664 40 HG22 VAL 72 2HG2 VAL 72 -0.138 -2.301 -0.289 41 HG23 VAL 72 3HG2 VAL 72 0.503 -0.909 -1.159 42 H GLY 73 H GLY 73 1.809 -1.244 -2.921 43 HA2 GLY 73 2HA GLY 73 1.923 1.508 -2.692 44 HA3 GLY 73 3HA GLY 73 3.282 0.563 -3.303 45 H GLY 74 H GLY 74 1.637 -0.334 -5.653 46 HA2 GLY 74 2HA GLY 74 2.293 1.933 -7.381 47 HA3 GLY 74 3HA GLY 74 1.631 0.381 -7.913 48 H GLN 75 H GLN 75 -0.655 0.414 -6.129 49 HA GLN 75 HA GLN 75 -2.458 1.971 -7.734 50 HB2 GLN 75 2HB GLN 75 -2.696 0.407 -5.171 51 HB3 GLN 75 3HB GLN 75 -4.033 1.437 -5.684 52 HG2 GLN 75 2HG GLN 75 -4.501 0.146 -7.566 53 HG3 GLN 75 3HG GLN 75 -2.842 -0.432 -7.718 54 HE21 GLN 75 1HE2 GLN 75 -2.146 -2.180 -6.256 55 HE22 GLN 75 2HE2 GLN 75 -3.295 -3.181 -5.503 56 H VAL 76 H VAL 76 -0.530 2.570 -4.945 57 HA VAL 76 HA VAL 76 -1.968 4.925 -4.028 58 HB VAL 76 HB VAL 76 0.940 4.180 -3.572 59 HG11 VAL 76 1HG1 VAL 76 0.486 5.475 -1.427 60 HG12 VAL 76 2HG1 VAL 76 -1.026 6.003 -2.166 61 HG13 VAL 76 3HG1 VAL 76 0.517 6.444 -2.900 62 HG21 VAL 76 1HG2 VAL 76 0.183 3.023 -1.569 63 HG22 VAL 76 2HG2 VAL 76 -0.676 2.357 -2.958 64 HG23 VAL 76 3HG2 VAL 76 -1.486 3.497 -1.885 65 H ASN 77 H ASN 77 0.963 4.314 -5.985 66 HA ASN 77 HA ASN 77 1.599 7.006 -6.575 67 HB2 ASN 77 2HB ASN 77 3.064 5.120 -7.187 68 HB3 ASN 77 3HB ASN 77 1.864 4.564 -8.355 69 HD21 ASN 77 1HD2 ASN 77 2.453 8.015 -7.867 70 HD22 ASN 77 2HD2 ASN 77 3.205 8.280 -9.364 71 H LEU 78 H LEU 78 -0.472 4.707 -8.315 72 HA LEU 78 HA LEU 78 -1.361 6.453 -10.363 73 HB2 LEU 78 2HB LEU 78 -1.726 4.067 -10.517 74 HB3 LEU 78 3HB LEU 78 -2.680 4.072 -9.037 75 HG LEU 78 HG LEU 78 -4.437 5.379 -10.119 76 HD11 LEU 78 1HD1 LEU 78 -4.156 5.714 -12.676 77 HD12 LEU 78 2HD1 LEU 78 -2.434 5.488 -12.379 78 HD13 LEU 78 3HD1 LEU 78 -3.295 6.822 -11.610 79 HD21 LEU 78 1HD2 LEU 78 -5.253 3.693 -11.598 80 HD22 LEU 78 2HD2 LEU 78 -4.247 2.842 -10.425 81 HD23 LEU 78 3HD2 LEU 78 -3.622 3.186 -12.039 82 H LEU 79 H LEU 79 -2.564 5.948 -7.074 83 HA LEU 79 HA LEU 79 -4.958 7.473 -7.437 84 HB2 LEU 79 2HB LEU 79 -3.573 6.109 -5.254 85 HB3 LEU 79 3HB LEU 79 -4.301 7.608 -4.690 86 HG LEU 79 HG LEU 79 -6.463 6.859 -5.780 87 HD11 LEU 79 1HD1 LEU 79 -5.171 5.152 -7.253 88 HD12 LEU 79 2HD1 LEU 79 -6.717 4.649 -6.574 89 HD13 LEU 79 3HD1 LEU 79 -5.213 4.109 -5.831 90 HD21 LEU 79 1HD2 LEU 79 -5.289 5.047 -3.647 91 HD22 LEU 79 2HD2 LEU 79 -7.008 5.276 -3.967 92 HD23 LEU 79 3HD2 LEU 79 -6.038 6.618 -3.358 93 H ILE 80 H ILE 80 -1.644 8.511 -6.793 94 HA ILE 80 HA ILE 80 -2.605 11.158 -5.915 95 HB ILE 80 HB ILE 80 -0.693 10.399 -4.744 96 HG12 ILE 80 2HG1 ILE 80 -0.736 12.853 -5.931 97 HG13 ILE 80 3HG1 ILE 80 0.542 12.339 -4.844 98 HG21 ILE 80 1HG2 ILE 80 0.486 9.850 -7.468 99 HG22 ILE 80 2HG2 ILE 80 0.105 8.696 -6.189 100 HG23 ILE 80 3HG2 ILE 80 1.433 9.834 -5.978 101 HD11 ILE 80 1HD1 ILE 80 0.755 11.847 -7.820 102 HD12 ILE 80 2HD1 ILE 80 2.039 11.890 -6.615 103 HD13 ILE 80 3HD1 ILE 80 1.238 13.383 -7.103 104 H GLN 81 H GLN 81 -1.419 9.662 -8.870 105 HA GLN 81 HA GLN 81 -0.991 12.310 -10.116 106 HB2 GLN 81 2HB GLN 81 -0.459 11.014 -12.153 107 HB3 GLN 81 3HB GLN 81 0.483 10.478 -10.762 108 HG2 GLN 81 2HG GLN 81 -1.563 8.779 -10.473 109 HG3 GLN 81 3HG GLN 81 -1.747 9.074 -12.203 110 HE21 GLN 81 1HE2 GLN 81 0.540 7.899 -9.737 111 HE22 GLN 81 2HE2 GLN 81 1.522 7.028 -10.816 112 H GLN 82 H GLN 82 -3.575 9.989 -9.797 113 HA GLN 82 HA GLN 82 -5.089 11.246 -12.025 114 HB2 GLN 82 2HB GLN 82 -5.612 9.018 -12.222 115 HB3 GLN 82 3HB GLN 82 -5.156 8.675 -10.563 116 HG2 GLN 82 2HG GLN 82 -7.569 8.275 -11.003 117 HG3 GLN 82 3HG GLN 82 -7.299 9.480 -9.748 118 HE21 GLN 82 1HE2 GLN 82 -9.337 10.591 -10.171 119 HE22 GLN 82 2HE2 GLN 82 -9.588 11.485 -11.593 120 H ALA 83 H ALA 83 -5.256 10.794 -8.485 121 HA ALA 83 HA ALA 83 -7.560 12.645 -8.351 122 HB1 ALA 83 1HB ALA 83 -7.457 10.431 -7.088 123 HB2 ALA 83 2HB ALA 83 -7.899 11.855 -6.146 124 HB3 ALA 83 3HB ALA 83 -6.262 11.206 -6.047 125 H ILE 84 H ILE 84 -4.155 12.506 -7.560 126 HA ILE 84 HA ILE 84 -2.794 13.946 -6.314 127 HB ILE 84 HB ILE 84 -3.904 16.391 -7.565 128 HG12 ILE 84 2HG1 ILE 84 -2.983 15.506 -9.863 129 HG13 ILE 84 3HG1 ILE 84 -3.329 13.914 -9.202 130 HG21 ILE 84 1HG2 ILE 84 -1.572 16.578 -8.360 131 HG22 ILE 84 2HG2 ILE 84 -1.238 14.961 -7.738 132 HG23 ILE 84 3HG2 ILE 84 -1.646 16.266 -6.625 133 HD11 ILE 84 1HD1 ILE 84 -5.485 14.163 -9.751 134 HD12 ILE 84 2HD1 ILE 84 -5.139 15.742 -10.427 135 HD13 ILE 84 3HD1 ILE 84 -5.630 15.592 -8.745 136 H ASP 85 H ASP 85 -5.272 13.373 -4.955 137 HA ASP 85 HA ASP 85 -6.681 14.225 -3.264 138 HB2 ASP 85 2HB ASP 85 -5.356 15.390 -1.496 139 HB3 ASP 85 3HB ASP 85 -4.600 13.905 -2.072 140 HA PRO 86 HA PRO 86 -7.466 18.399 -5.045 141 HB2 PRO 86 2HB PRO 86 -10.158 18.253 -5.248 142 HB3 PRO 86 3HB PRO 86 -9.089 17.446 -6.416 143 HG2 PRO 86 2HG PRO 86 -10.577 16.289 -4.103 144 HG3 PRO 86 3HG PRO 86 -10.328 15.624 -5.726 145 HD2 PRO 86 2HD PRO 86 -8.848 14.888 -3.491 146 HD3 PRO 86 3HD PRO 86 -8.278 14.705 -5.165 147 H LYS 87 H LYS 87 -7.359 17.467 -2.102 148 HA LYS 87 HA LYS 87 -9.435 18.711 -0.626 149 HB2 LYS 87 2HB LYS 87 -6.507 18.384 0.093 150 HB3 LYS 87 3HB LYS 87 -7.786 18.805 1.233 151 HG2 LYS 87 2HG LYS 87 -8.964 16.652 0.416 152 HG3 LYS 87 3HG LYS 87 -7.403 16.220 -0.283 153 HD2 LYS 87 2HD LYS 87 -7.967 16.816 2.637 154 HD3 LYS 87 3HD LYS 87 -7.573 15.243 1.944 155 HE2 LYS 87 2HE LYS 87 -5.784 17.664 2.203 156 HE3 LYS 87 3HE LYS 87 -5.525 16.043 2.846 157 HZ1 LYS 87 1HZ LYS 87 -5.496 16.858 -0.006 158 HZ2 LYS 87 2HZ LYS 87 -5.440 15.244 0.521 159 HZ3 LYS 87 3HZ LYS 87 -4.180 16.314 0.915 160 H ASN 88 H ASN 88 -6.554 20.032 -2.158 161 HA ASN 88 HA ASN 88 -6.620 22.605 -0.901 162 HB2 ASN 88 2HB ASN 88 -5.443 23.305 -3.122 163 HB3 ASN 88 3HB ASN 88 -4.629 22.148 -2.071 164 HD21 ASN 88 1HD2 ASN 88 -7.384 20.783 -3.602 165 HD22 ASN 88 2HD2 ASN 88 -6.566 19.962 -4.842 166 H LEU 89 H LEU 89 -8.529 21.161 -3.436 167 HA LEU 89 HA LEU 89 -9.598 23.720 -4.387 168 HB2 LEU 89 2HB LEU 89 -9.524 21.954 -6.001 169 HB3 LEU 89 3HB LEU 89 -10.316 20.822 -4.912 170 HG LEU 89 HG LEU 89 -11.876 23.305 -5.487 171 HD11 LEU 89 1HD1 LEU 89 -10.968 22.944 -7.715 172 HD12 LEU 89 2HD1 LEU 89 -12.654 22.425 -7.692 173 HD13 LEU 89 3HD1 LEU 89 -11.362 21.227 -7.634 174 HD21 LEU 89 1HD2 LEU 89 -12.746 20.422 -5.791 175 HD22 LEU 89 2HD2 LEU 89 -13.731 21.828 -5.390 176 HD23 LEU 89 3HD2 LEU 89 -12.608 21.170 -4.202 177 H SER 90 H SER 90 -10.742 21.004 -2.379 178 HA SER 90 HA SER 90 -13.288 22.208 -1.789 179 HB2 SER 90 2HB SER 90 -13.082 19.836 -1.489 180 HB3 SER 90 3HB SER 90 -11.684 20.029 -0.437 181 HG SER 90 HG SER 90 -13.846 19.668 0.561 182 H ARG 91 H ARG 91 -10.083 22.672 -0.589 183 HA ARG 91 HA ARG 91 -10.873 23.783 1.991 184 HB2 ARG 91 2HB ARG 91 -8.615 22.722 1.401 185 HB3 ARG 91 3HB ARG 91 -8.241 24.220 0.557 186 HG2 ARG 91 2HG ARG 91 -9.116 24.146 3.462 187 HG3 ARG 91 3HG ARG 91 -7.428 24.058 2.977 188 HD2 ARG 91 2HD ARG 91 -7.520 26.344 3.164 189 HD3 ARG 91 3HD ARG 91 -8.247 26.274 1.563 190 HE ARG 91 HE ARG 91 -10.360 25.951 3.386 191 HH11 ARG 91 1HH1 ARG 91 -11.594 27.727 4.036 192 HH12 ARG 91 2HH1 ARG 91 -10.924 29.319 3.920 193 HH21 ARG 91 1HH2 ARG 91 -7.892 28.236 2.633 194 HH22 ARG 91 2HH2 ARG 91 -8.829 29.608 3.126 195 H LEU 92 H LEU 92 -9.518 25.221 -1.000 196 HA LEU 92 HA LEU 92 -9.909 27.932 -0.147 197 HB2 LEU 92 2HB LEU 92 -9.812 26.870 -2.987 198 HB3 LEU 92 3HB LEU 92 -9.500 28.527 -2.480 199 HG LEU 92 HG LEU 92 -7.882 26.171 -1.476 200 HD11 LEU 92 1HD1 LEU 92 -6.152 27.032 -3.134 201 HD12 LEU 92 2HD1 LEU 92 -7.454 27.961 -3.877 202 HD13 LEU 92 3HD1 LEU 92 -7.534 26.200 -3.845 203 HD21 LEU 92 1HD2 LEU 92 -7.564 29.183 -1.399 204 HD22 LEU 92 2HD2 LEU 92 -6.206 28.093 -1.127 205 HD23 LEU 92 3HD2 LEU 92 -7.593 28.056 -0.043 206 H PHE 93 H PHE 93 -12.242 25.727 -0.465 207 HA PHE 93 HA PHE 93 -14.263 27.778 -1.172 208 HB2 PHE 93 2HB PHE 93 -13.762 25.203 -2.648 209 HB3 PHE 93 3HB PHE 93 -15.404 25.831 -2.557 210 HD1 PHE 93 1HD PHE 93 -16.042 27.873 -3.711 211 HD2 PHE 93 2HD PHE 93 -11.981 26.476 -3.788 212 HE1 PHE 93 1HE PHE 93 -15.526 29.475 -5.532 213 HE2 PHE 93 2HE PHE 93 -11.465 28.077 -5.610 214 HZ PHE 93 HZ PHE 93 -13.238 29.577 -6.481 215 HA PRO 94 HA PRO 94 -16.732 26.248 2.176 216 HB2 PRO 94 2HB PRO 94 -18.807 25.581 0.100 217 HB3 PRO 94 3HB PRO 94 -19.002 26.415 1.656 218 HG2 PRO 94 2HG PRO 94 -18.933 27.776 -0.628 219 HG3 PRO 94 3HG PRO 94 -18.174 28.410 0.845 220 HD2 PRO 94 2HD PRO 94 -16.881 27.312 -1.603 221 HD3 PRO 94 3HD PRO 94 -16.254 28.477 -0.418 222 H GLY 95 H GLY 95 -15.744 24.240 -0.378 223 HA2 GLY 95 2HA GLY 95 -17.012 21.796 -0.026 224 HA3 GLY 95 3HA GLY 95 -15.293 21.936 -0.398 225 H TRP 96 H TRP 96 -15.331 23.552 2.354 226 HA TRP 96 HA TRP 96 -14.056 21.692 3.979 227 HB2 TRP 96 2HB TRP 96 -15.728 24.117 4.560 228 HB3 TRP 96 3HB TRP 96 -15.277 23.091 5.921 229 HD1 TRP 96 HD TRP 96 -13.047 23.747 2.864 230 HE1 TRP 96 1HE TRP 96 -10.890 24.906 3.667 231 HE3 TRP 96 3HE TRP 96 -14.214 24.480 7.780 232 HZ2 TRP 96 2HZ TRP 96 -9.805 26.003 6.068 233 HZ3 TRP 96 3HZ TRP 96 -12.601 25.585 9.303 234 HH2 TRP 96 HH TRP 96 -10.399 26.347 8.455 235 H LYS 97 H LYS 97 -17.349 21.676 3.044 236 HA LYS 97 HA LYS 97 -18.537 20.317 5.252 237 HB2 LYS 97 2HB LYS 97 -19.246 20.041 2.318 238 HB3 LYS 97 3HB LYS 97 -20.291 19.665 3.688 239 HG2 LYS 97 2HG LYS 97 -19.164 22.414 3.071 240 HG3 LYS 97 3HG LYS 97 -20.794 21.886 2.678 241 HD2 LYS 97 2HD LYS 97 -21.359 22.744 4.726 242 HD3 LYS 97 3HD LYS 97 -20.673 21.258 5.371 243 HE2 LYS 97 2HE LYS 97 -19.517 22.870 6.603 244 HE3 LYS 97 3HE LYS 97 -18.401 22.628 5.261 245 HZ1 LYS 97 1HZ LYS 97 -18.927 24.615 4.336 246 HZ2 LYS 97 2HZ LYS 97 -19.225 25.009 5.961 247 HZ3 LYS 97 3HZ LYS 97 -20.516 24.616 4.929 248 H ALA 98 H ALA 98 -16.077 19.235 3.186 249 HA ALA 98 HA ALA 98 -16.876 16.398 3.347 250 HB1 ALA 98 1HB ALA 98 -14.428 17.698 2.117 251 HB2 ALA 98 2HB ALA 98 -15.902 17.295 1.233 252 HB3 ALA 98 3HB ALA 98 -14.912 16.011 1.927 253 H TRP 99 H TRP 99 -14.964 18.763 4.877 254 HA TRP 99 HA TRP 99 -13.035 16.984 6.043 255 HB2 TRP 99 2HB TRP 99 -13.842 19.816 6.729 256 HB3 TRP 99 3HB TRP 99 -12.490 18.968 7.482 257 HD1 TRP 99 HD TRP 99 -13.639 19.404 3.790 258 HE1 TRP 99 1HE TRP 99 -11.590 20.030 2.389 259 HE3 TRP 99 3HE TRP 99 -10.073 19.511 7.449 260 HZ2 TRP 99 2HZ TRP 99 -8.801 20.522 2.753 261 HZ3 TRP 99 3HZ TRP 99 -7.724 20.065 6.888 262 HH2 TRP 99 HH TRP 99 -7.082 20.572 4.546 263 H VAL 100 H VAL 100 -16.297 17.652 6.699 264 HA VAL 100 HA VAL 100 -16.451 17.512 9.506 265 HB VAL 100 HB VAL 100 -18.732 16.644 9.140 266 HG11 VAL 100 1HG1 VAL 100 -18.091 18.661 6.985 267 HG12 VAL 100 2HG1 VAL 100 -18.069 19.075 8.700 268 HG13 VAL 100 3HG1 VAL 100 -19.566 18.530 7.943 269 HG21 VAL 100 1HG2 VAL 100 -19.398 16.316 6.688 270 HG22 VAL 100 2HG2 VAL 100 -18.418 15.036 7.404 271 HG23 VAL 100 3HG2 VAL 100 -17.672 16.228 6.340
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