NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
558171 | 2m0s | 18822 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 2.707 -6.434 5.107 2 HA ASP 1 HA ASP 1 0.731 -6.304 2.941 3 HB2 ASP 1 1HB ASP 1 2.213 -4.311 4.125 4 HB3 ASP 1 2HB ASP 1 3.141 -4.655 2.668 5 H ILE 2 H ILE 2 1.836 -6.088 0.694 6 HA ILE 2 HA ILE 2 2.881 -8.530 -0.040 7 HB ILE 2 HB ILE 2 3.359 -5.899 -1.443 8 HG12 ILE 2 1HG1 ILE 2 0.972 -6.344 -1.039 9 HG13 ILE 2 2HG1 ILE 2 1.365 -6.458 -2.751 10 HG21 ILE 2 1HG2 ILE 2 4.753 -7.245 -2.618 11 HG22 ILE 2 2HG2 ILE 2 3.909 -8.718 -2.145 12 HG23 ILE 2 3HG2 ILE 2 3.248 -7.693 -3.419 13 HD11 ILE 2 3HD1 ILE 2 0.880 -8.719 -0.832 14 HD12 ILE 2 1HD1 ILE 2 -0.113 -8.237 -2.207 15 HD13 ILE 2 2HD1 ILE 2 1.486 -8.932 -2.475 16 H GLY 3 H GLY 3 4.587 -5.611 0.956 17 HA2 GLY 3 1HA GLY 3 6.953 -7.182 1.521 18 HA3 GLY 3 2HA GLY 3 7.154 -6.005 0.232 19 H MET 4 H MET 4 5.867 -6.190 3.552 20 HA MET 4 HA MET 4 6.323 -3.417 4.053 21 HB2 MET 4 1HB MET 4 4.911 -5.486 5.296 22 HB3 MET 4 2HB MET 4 6.153 -5.030 6.454 23 HG2 MET 4 1HG MET 4 5.027 -2.650 5.417 24 HG3 MET 4 2HG MET 4 3.705 -3.728 5.860 25 HE1 MET 4 3HE MET 4 3.158 -3.624 9.186 26 HE2 MET 4 1HE MET 4 3.241 -4.693 7.785 27 HE3 MET 4 2HE MET 4 4.362 -4.913 9.130 28 H GLY 5 H GLY 5 8.272 -6.237 4.193 29 HA2 GLY 5 1HA GLY 5 10.129 -5.341 6.170 30 HA3 GLY 5 2HA GLY 5 10.383 -6.648 5.022 31 H VAL 6 H VAL 6 9.606 -4.450 2.932 32 HA VAL 6 HA VAL 6 12.362 -3.672 2.440 33 HB VAL 6 HB VAL 6 10.126 -2.826 0.653 34 HG11 VAL 6 1HG1 VAL 6 12.127 -2.116 -0.216 35 HG12 VAL 6 2HG1 VAL 6 13.019 -3.501 0.416 36 HG13 VAL 6 3HG1 VAL 6 11.978 -3.691 -0.996 37 HG21 VAL 6 3HG2 VAL 6 10.962 -5.635 1.194 38 HG22 VAL 6 1HG2 VAL 6 9.366 -4.984 0.821 39 HG23 VAL 6 2HG2 VAL 6 10.564 -5.168 -0.460 40 H THR 7 H THR 7 9.310 -2.223 3.341 41 HA THR 7 HA THR 7 10.214 0.484 2.965 42 HB THR 7 HB THR 7 7.860 0.082 2.719 43 HG1 THR 7 HG1 THR 7 7.125 1.472 4.615 44 HG21 THR 7 3HG2 THR 7 7.941 -0.951 5.555 45 HG22 THR 7 1HG2 THR 7 7.617 -1.895 4.101 46 HG23 THR 7 2HG2 THR 7 6.470 -0.662 4.628 47 H TYR 8 H TYR 8 9.875 -1.756 5.663 48 HA TYR 8 HA TYR 8 10.486 0.158 7.686 49 HB2 TYR 8 1HB TYR 8 9.247 -1.995 8.062 50 HB3 TYR 8 2HB TYR 8 10.773 -2.847 7.849 51 HD1 TYR 8 HD1 TYR 8 12.549 -2.655 9.527 52 HD2 TYR 8 HD2 TYR 8 8.778 -0.764 10.080 53 HE1 TYR 8 HE1 TYR 8 13.059 -2.350 11.914 54 HE2 TYR 8 HE2 TYR 8 9.278 -0.452 12.468 55 HH TYR 8 HH TYR 8 11.801 -2.037 14.039 56 H LEU 9 H LEU 9 12.363 -1.462 5.384 57 HA LEU 9 HA LEU 9 14.816 -1.060 6.959 58 HB2 LEU 9 1HB LEU 9 13.946 -3.107 5.080 59 HB3 LEU 9 2HB LEU 9 15.540 -2.461 4.698 60 HG LEU 9 HG LEU 9 14.722 -3.717 7.317 61 HD11 LEU 9 1HD1 LEU 9 16.803 -4.854 5.534 62 HD12 LEU 9 2HD1 LEU 9 15.113 -5.089 5.088 63 HD13 LEU 9 3HD1 LEU 9 15.700 -5.660 6.650 64 HD21 LEU 9 3HD2 LEU 9 16.373 -2.238 7.944 65 HD22 LEU 9 1HD2 LEU 9 17.198 -2.333 6.388 66 HD23 LEU 9 2HD2 LEU 9 17.322 -3.668 7.534 67 H ALA 10 H ALA 10 13.114 -0.188 4.059 68 HA ALA 10 HA ALA 10 15.414 1.367 3.105 69 HB1 ALA 10 1HB ALA 10 14.303 1.513 0.993 70 HB2 ALA 10 2HB ALA 10 14.245 -0.168 1.525 71 HB3 ALA 10 3HB ALA 10 12.815 0.853 1.671 72 H LEU 11 H LEU 11 11.883 1.788 3.444 73 HA LEU 11 HA LEU 11 12.020 4.624 3.311 74 HB2 LEU 11 1HB LEU 11 9.905 2.639 4.029 75 HB3 LEU 11 2HB LEU 11 9.640 4.353 4.341 76 HG LEU 11 HG LEU 11 10.203 3.132 1.639 77 HD11 LEU 11 1HD1 LEU 11 7.733 3.628 3.150 78 HD12 LEU 11 2HD1 LEU 11 8.052 2.513 1.822 79 HD13 LEU 11 3HD1 LEU 11 7.730 4.214 1.486 80 HD21 LEU 11 3HD2 LEU 11 9.380 5.446 0.918 81 HD22 LEU 11 1HD2 LEU 11 11.020 5.322 1.553 82 HD23 LEU 11 2HD2 LEU 11 9.724 5.944 2.575 83 H LEU 12 H LEU 12 12.764 2.441 5.760 84 HA LEU 12 HA LEU 12 12.265 4.416 7.875 85 HB2 LEU 12 1HB LEU 12 11.977 1.609 7.754 86 HB3 LEU 12 2HB LEU 12 13.291 1.946 8.878 87 HG LEU 12 HG LEU 12 11.424 3.685 9.772 88 HD11 LEU 12 1HD1 LEU 12 9.947 2.358 7.957 89 HD12 LEU 12 2HD1 LEU 12 9.288 3.054 9.438 90 HD13 LEU 12 3HD1 LEU 12 9.689 1.338 9.373 91 HD21 LEU 12 3HD2 LEU 12 12.723 2.049 11.079 92 HD22 LEU 12 1HD2 LEU 12 11.620 0.777 10.551 93 HD23 LEU 12 2HD2 LEU 12 11.025 2.099 11.557 94 H ALA 13 H ALA 13 14.778 2.458 6.375 95 HA ALA 13 HA ALA 13 16.808 3.817 8.005 96 HB1 ALA 13 1HB ALA 13 17.718 1.707 6.191 97 HB2 ALA 13 2HB ALA 13 18.055 1.958 7.904 98 HB3 ALA 13 3HB ALA 13 16.557 1.171 7.406 99 H ALA 14 H ALA 14 16.462 2.712 4.626 100 HA ALA 14 HA ALA 14 18.458 4.282 3.518 101 HB1 ALA 14 1HB ALA 14 16.990 2.407 2.479 102 HB2 ALA 14 2HB ALA 14 15.950 3.743 1.986 103 HB3 ALA 14 3HB ALA 14 17.628 3.687 1.447 104 H PHE 15 H PHE 15 15.344 5.201 4.667 105 HA PHE 15 HA PHE 15 14.987 7.558 3.139 106 HB2 PHE 15 1HB PHE 15 13.337 6.217 4.708 107 HB3 PHE 15 2HB PHE 15 13.920 7.350 5.923 108 HD1 PHE 15 HD1 PHE 15 12.270 7.118 2.620 109 HD2 PHE 15 HD2 PHE 15 13.118 9.551 6.009 110 HE1 PHE 15 HE1 PHE 15 10.674 8.803 1.805 111 HE2 PHE 15 HE2 PHE 15 11.522 11.239 5.200 112 HZ PHE 15 HZ PHE 15 10.297 10.867 3.096 113 H LYS 16 H LYS 16 16.880 6.798 5.938 114 HA LYS 16 HA LYS 16 17.250 9.489 6.832 115 HB2 LYS 16 1HB LYS 16 18.616 6.877 7.433 116 HB3 LYS 16 2HB LYS 16 19.231 8.395 8.074 117 HG2 LYS 16 1HG LYS 16 17.816 8.211 9.762 118 HG3 LYS 16 2HG LYS 16 16.476 8.365 8.624 119 HD2 LYS 16 1HD LYS 16 15.939 6.343 9.521 120 HD3 LYS 16 2HD LYS 16 17.023 5.788 8.243 121 HE2 LYS 16 1HE LYS 16 18.266 4.807 9.801 122 HE3 LYS 16 2HE LYS 16 18.663 6.405 10.430 123 HZ1 LYS 16 3HZ LYS 16 17.729 5.582 12.284 124 HZ2 LYS 16 1HZ LYS 16 16.824 4.413 11.461 125 HZ3 LYS 16 2HZ LYS 16 16.274 6.011 11.534 126 H VAL 17 H VAL 17 17.743 10.338 4.640 127 HA VAL 17 HA VAL 17 20.605 10.019 4.005 128 HB VAL 17 HB VAL 17 19.365 11.171 1.773 129 HG11 VAL 17 1HG1 VAL 17 21.274 9.449 2.081 130 HG12 VAL 17 2HG1 VAL 17 19.986 8.249 1.953 131 HG13 VAL 17 3HG1 VAL 17 20.279 9.375 0.627 132 HG21 VAL 17 3HG2 VAL 17 17.622 9.568 1.183 133 HG22 VAL 17 1HG2 VAL 17 17.794 8.791 2.757 134 HG23 VAL 17 2HG2 VAL 17 17.198 10.447 2.651 135 H ARG 18 H ARG 18 18.120 12.148 4.954 136 HA ARG 18 HA ARG 18 19.122 14.585 3.933 137 HB2 ARG 18 1HB ARG 18 16.960 14.833 4.661 138 HB3 ARG 18 2HB ARG 18 17.195 13.791 6.057 139 HG2 ARG 18 1HG ARG 18 16.802 16.109 6.707 140 HG3 ARG 18 2HG ARG 18 18.405 15.557 7.201 141 HD2 ARG 18 1HD ARG 18 19.439 17.067 5.913 142 HD3 ARG 18 2HD ARG 18 18.368 16.760 4.546 143 HE ARG 18 HE ARG 18 17.011 18.229 6.543 144 HH11 ARG 18 1HH1 ARG 18 19.454 18.567 4.085 145 HH12 ARG 18 2HH1 ARG 18 19.152 20.254 3.833 146 HH21 ARG 18 1HH2 ARG 18 16.605 20.450 6.220 147 HH22 ARG 18 2HH2 ARG 18 17.532 21.325 5.048 148 HA PRO 19 HA PRO 19 21.246 15.110 8.244 149 HB2 PRO 19 1HB PRO 19 21.362 12.920 9.845 150 HB3 PRO 19 2HB PRO 19 20.022 14.072 9.888 151 HG2 PRO 19 1HG PRO 19 20.193 11.414 8.520 152 HG3 PRO 19 2HG PRO 19 18.855 12.107 9.455 153 HD2 PRO 19 1HD PRO 19 18.893 12.106 6.748 154 HD3 PRO 19 2HD PRO 19 18.125 13.399 7.691 155 H THR 20 H THR 20 21.613 12.511 6.095 156 HA THR 20 HA THR 20 24.087 11.443 6.908 157 HB THR 20 HB THR 20 22.920 11.622 4.124 158 HG1 THR 20 HG1 THR 20 21.861 10.393 5.998 159 HG21 THR 20 3HG2 THR 20 24.424 9.511 3.886 160 HG22 THR 20 1HG2 THR 20 25.315 10.210 5.237 161 HG23 THR 20 2HG2 THR 20 25.149 11.111 3.730 162 H PHE 21 H PHE 21 23.256 14.407 5.362 163 HA PHE 21 HA PHE 21 25.790 14.904 4.141 164 HB2 PHE 21 1HB PHE 21 23.287 16.057 3.986 165 HB3 PHE 21 2HB PHE 21 24.227 17.275 4.841 166 HD1 PHE 21 HD2 PHE 21 26.825 17.191 3.670 167 HD2 PHE 21 HD1 PHE 21 23.038 16.681 1.795 168 HE1 PHE 21 HE2 PHE 21 27.784 17.949 1.534 169 HE2 PHE 21 HE1 PHE 21 23.990 17.438 -0.344 170 HZ PHE 21 HZ PHE 21 26.366 18.074 -0.476 171 H ALA 22 H ALA 22 24.211 16.124 7.088 172 HA ALA 22 HA ALA 22 26.574 17.514 7.951 173 HB1 ALA 22 1HB ALA 22 24.547 18.504 8.611 174 HB2 ALA 22 2HB ALA 22 23.908 16.980 9.229 175 HB3 ALA 22 3HB ALA 22 25.217 17.798 10.082 176 H ALA 23 H ALA 23 25.111 14.396 8.531 177 HA ALA 23 HA ALA 23 26.518 13.703 10.874 178 HB1 ALA 23 1HB ALA 23 25.440 11.877 8.729 179 HB2 ALA 23 2HB ALA 23 25.879 11.412 10.373 180 HB3 ALA 23 3HB ALA 23 24.523 12.506 10.098 181 H GLY 24 H GLY 24 27.294 13.389 7.447 182 HA2 GLY 24 1HA GLY 24 29.958 12.372 8.222 183 HA3 GLY 24 2HA GLY 24 29.164 11.977 6.705 184 H LEU 25 H LEU 25 28.938 15.210 7.910 185 HA LEU 25 HA LEU 25 30.041 16.332 5.575 186 HB2 LEU 25 1HB LEU 25 29.627 18.404 6.527 187 HB3 LEU 25 2HB LEU 25 28.422 17.359 7.277 188 HG LEU 25 HG LEU 25 30.310 17.196 9.149 189 HD11 LEU 25 1HD1 LEU 25 31.126 19.650 9.371 190 HD12 LEU 25 2HD1 LEU 25 30.891 19.699 7.625 191 HD13 LEU 25 3HD1 LEU 25 32.006 18.530 8.332 192 HD21 LEU 25 3HD2 LEU 25 28.513 17.988 10.191 193 HD22 LEU 25 1HD2 LEU 25 27.928 18.766 8.720 194 HD23 LEU 25 2HD2 LEU 25 29.066 19.610 9.771 195 H LEU 26 H LEU 26 31.522 15.013 8.326 196 HA LEU 26 HA LEU 26 33.869 16.616 8.409 197 HB2 LEU 26 1HB LEU 26 33.442 13.782 9.342 198 HB3 LEU 26 2HB LEU 26 34.804 14.813 9.773 199 HG LEU 26 HG LEU 26 33.513 15.006 11.652 200 HD11 LEU 26 1HD1 LEU 26 33.787 17.229 10.309 201 HD12 LEU 26 2HD1 LEU 26 32.777 17.179 11.754 202 HD13 LEU 26 3HD1 LEU 26 32.033 17.119 10.156 203 HD21 LEU 26 3HD2 LEU 26 31.369 14.378 11.818 204 HD22 LEU 26 1HD2 LEU 26 31.564 13.812 10.159 205 HD23 LEU 26 2HD2 LEU 26 30.864 15.401 10.472 206 H LEU 27 H LEU 27 32.828 13.971 6.442 207 HA LEU 27 HA LEU 27 35.450 13.219 5.541 208 HB2 LEU 27 1HB LEU 27 33.058 11.976 5.532 209 HB3 LEU 27 2HB LEU 27 33.104 12.571 3.874 210 HG LEU 27 HG LEU 27 35.497 11.430 3.920 211 HD11 LEU 27 1HD1 LEU 27 33.952 10.077 6.108 212 HD12 LEU 27 2HD1 LEU 27 35.611 10.674 6.132 213 HD13 LEU 27 3HD1 LEU 27 35.204 9.239 5.191 214 HD21 LEU 27 3HD2 LEU 27 33.720 9.259 3.567 215 HD22 LEU 27 1HD2 LEU 27 34.454 10.285 2.335 216 HD23 LEU 27 2HD2 LEU 27 32.889 10.717 3.024 217 H ARG 28 H ARG 28 36.484 13.781 3.670 218 HA ARG 28 HA ARG 28 35.183 15.790 1.959 219 HB2 ARG 28 1HB ARG 28 36.911 16.694 3.657 220 HB3 ARG 28 2HB ARG 28 38.111 15.928 2.624 221 HG2 ARG 28 1HG ARG 28 37.947 17.510 1.050 222 HG3 ARG 28 2HG ARG 28 36.192 17.614 1.196 223 HD2 ARG 28 1HD ARG 28 36.291 19.176 2.889 224 HD3 ARG 28 2HD ARG 28 37.910 18.686 3.386 225 HE ARG 28 HE ARG 28 37.900 19.815 0.770 226 HH11 ARG 28 1HH1 ARG 28 37.823 20.609 4.159 227 HH12 ARG 28 2HH1 ARG 28 38.534 22.174 3.942 228 HH21 ARG 28 1HH2 ARG 28 38.837 21.873 0.471 229 HH22 ARG 28 2HH2 ARG 28 39.110 22.892 1.843 Start of MODEL 2 1 H1 ASP 1 H ASP 1 2.645 -6.546 5.226 2 HA ASP 1 HA ASP 1 0.631 -6.561 3.092 3 HB2 ASP 1 1HB ASP 1 2.034 -4.471 4.205 4 HB3 ASP 1 2HB ASP 1 2.950 -4.804 2.738 5 H ILE 2 H ILE 2 1.680 -6.355 0.823 6 HA ILE 2 HA ILE 2 2.835 -8.757 0.128 7 HB ILE 2 HB ILE 2 3.148 -6.136 -1.341 8 HG12 ILE 2 1HG1 ILE 2 1.210 -7.995 -2.421 9 HG13 ILE 2 2HG1 ILE 2 0.825 -7.594 -0.751 10 HG21 ILE 2 1HG2 ILE 2 3.157 -7.913 -3.296 11 HG22 ILE 2 2HG2 ILE 2 4.637 -7.462 -2.450 12 HG23 ILE 2 3HG2 ILE 2 3.797 -8.953 -2.024 13 HD11 ILE 2 3HD1 ILE 2 0.496 -6.028 -3.138 14 HD12 ILE 2 1HD1 ILE 2 -0.145 -5.762 -1.518 15 HD13 ILE 2 2HD1 ILE 2 1.459 -5.164 -1.941 16 H GLY 3 H GLY 3 4.423 -5.712 0.958 17 HA2 GLY 3 1HA GLY 3 6.871 -7.162 1.535 18 HA3 GLY 3 2HA GLY 3 6.986 -5.998 0.223 19 H MET 4 H MET 4 5.938 -6.260 3.612 20 HA MET 4 HA MET 4 6.277 -3.424 4.031 21 HB2 MET 4 1HB MET 4 4.856 -5.488 5.304 22 HB3 MET 4 2HB MET 4 6.050 -4.942 6.474 23 HG2 MET 4 1HG MET 4 4.643 -2.778 5.101 24 HG3 MET 4 2HG MET 4 3.606 -3.819 6.075 25 HE1 MET 4 3HE MET 4 3.757 -2.949 9.311 26 HE2 MET 4 1HE MET 4 3.720 -4.332 8.218 27 HE3 MET 4 2HE MET 4 5.103 -4.089 9.285 28 H GLY 5 H GLY 5 8.267 -6.172 4.119 29 HA2 GLY 5 1HA GLY 5 10.067 -5.293 6.176 30 HA3 GLY 5 2HA GLY 5 10.347 -6.596 5.030 31 H VAL 6 H VAL 6 9.644 -4.509 2.867 32 HA VAL 6 HA VAL 6 12.384 -3.686 2.439 33 HB VAL 6 HB VAL 6 10.794 -4.570 0.635 34 HG11 VAL 6 1HG1 VAL 6 9.179 -3.216 -0.291 35 HG12 VAL 6 2HG1 VAL 6 9.036 -2.801 1.418 36 HG13 VAL 6 3HG1 VAL 6 9.916 -1.736 0.321 37 HG21 VAL 6 3HG2 VAL 6 12.052 -1.963 -0.136 38 HG22 VAL 6 1HG2 VAL 6 13.044 -3.328 0.379 39 HG23 VAL 6 2HG2 VAL 6 11.997 -3.481 -1.031 40 H THR 7 H THR 7 9.336 -2.231 3.332 41 HA THR 7 HA THR 7 10.243 0.475 2.962 42 HB THR 7 HB THR 7 7.905 0.166 2.715 43 HG1 THR 7 HG1 THR 7 7.984 1.213 5.333 44 HG21 THR 7 3HG2 THR 7 6.511 -0.690 4.634 45 HG22 THR 7 1HG2 THR 7 8.015 -1.205 5.398 46 HG23 THR 7 2HG2 THR 7 7.531 -1.895 3.848 47 H TYR 8 H TYR 8 9.886 -1.763 5.664 48 HA TYR 8 HA TYR 8 10.508 0.143 7.686 49 HB2 TYR 8 1HB TYR 8 9.271 -2.018 8.050 50 HB3 TYR 8 2HB TYR 8 10.803 -2.860 7.850 51 HD1 TYR 8 HD1 TYR 8 12.566 -2.654 9.543 52 HD2 TYR 8 HD2 TYR 8 8.778 -0.786 10.062 53 HE1 TYR 8 HE1 TYR 8 13.054 -2.342 11.933 54 HE2 TYR 8 HE2 TYR 8 9.257 -0.467 12.453 55 HH TYR 8 HH TYR 8 12.402 -1.267 13.821 56 H LEU 9 H LEU 9 12.382 -1.471 5.379 57 HA LEU 9 HA LEU 9 14.838 -1.077 6.953 58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061 59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685 60 HG LEU 9 HG LEU 9 14.739 -3.737 7.296 61 HD11 LEU 9 1HD1 LEU 9 16.851 -4.905 5.609 62 HD12 LEU 9 2HD1 LEU 9 15.205 -5.044 4.991 63 HD13 LEU 9 3HD1 LEU 9 15.606 -5.689 6.583 64 HD21 LEU 9 3HD2 LEU 9 17.471 -3.659 7.219 65 HD22 LEU 9 1HD2 LEU 9 16.443 -2.534 8.107 66 HD23 LEU 9 2HD2 LEU 9 17.032 -2.109 6.499 67 H ALA 10 H ALA 10 13.141 -0.201 4.047 68 HA ALA 10 HA ALA 10 15.437 1.369 3.112 69 HB1 ALA 10 1HB ALA 10 14.334 1.518 0.993 70 HB2 ALA 10 2HB ALA 10 14.292 -0.166 1.518 71 HB3 ALA 10 3HB ALA 10 12.850 0.839 1.662 72 H LEU 11 H LEU 11 11.903 1.766 3.439 73 HA LEU 11 HA LEU 11 12.020 4.603 3.307 74 HB2 LEU 11 1HB LEU 11 9.919 2.604 4.024 75 HB3 LEU 11 2HB LEU 11 9.641 4.316 4.336 76 HG LEU 11 HG LEU 11 10.215 3.100 1.634 77 HD11 LEU 11 1HD1 LEU 11 8.067 2.429 1.935 78 HD12 LEU 11 2HD1 LEU 11 7.757 4.078 1.393 79 HD13 LEU 11 3HD1 LEU 11 7.717 3.694 3.113 80 HD21 LEU 11 3HD2 LEU 11 9.572 5.912 2.504 81 HD22 LEU 11 1HD2 LEU 11 9.496 5.355 0.832 82 HD23 LEU 11 2HD2 LEU 11 11.034 5.343 1.696 83 H LEU 12 H LEU 12 12.778 2.426 5.757 84 HA LEU 12 HA LEU 12 12.264 4.399 7.872 85 HB2 LEU 12 1HB LEU 12 11.993 1.590 7.751 86 HB3 LEU 12 2HB LEU 12 13.305 1.935 8.876 87 HG LEU 12 HG LEU 12 11.200 1.698 10.057 88 HD11 LEU 12 1HD1 LEU 12 12.875 3.287 10.899 89 HD12 LEU 12 2HD1 LEU 12 11.230 3.774 11.302 90 HD13 LEU 12 3HD1 LEU 12 12.090 4.578 9.989 91 HD21 LEU 12 3HD2 LEU 12 9.976 4.155 9.075 92 HD22 LEU 12 1HD2 LEU 12 9.258 2.574 9.388 93 HD23 LEU 12 2HD2 LEU 12 10.070 2.885 7.854 94 H ALA 13 H ALA 13 14.791 2.453 6.377 95 HA ALA 13 HA ALA 13 16.811 3.827 8.007 96 HB1 ALA 13 1HB ALA 13 16.611 1.204 7.544 97 HB2 ALA 13 2HB ALA 13 17.612 1.656 6.164 98 HB3 ALA 13 3HB ALA 13 18.156 2.015 7.802 99 H ALA 14 H ALA 14 16.474 2.720 4.628 100 HA ALA 14 HA ALA 14 18.461 4.302 3.522 101 HB1 ALA 14 1HB ALA 14 17.636 3.704 1.450 102 HB2 ALA 14 2HB ALA 14 17.004 2.419 2.480 103 HB3 ALA 14 3HB ALA 14 15.957 3.750 1.987 104 H PHE 15 H PHE 15 15.340 5.202 4.667 105 HA PHE 15 HA PHE 15 14.971 7.558 3.141 106 HB2 PHE 15 1HB PHE 15 13.327 6.207 4.709 107 HB3 PHE 15 2HB PHE 15 13.904 7.342 5.925 108 HD1 PHE 15 HD2 PHE 15 13.674 9.823 5.445 109 HD2 PHE 15 HD1 PHE 15 11.673 6.820 3.188 110 HE1 PHE 15 HE2 PHE 15 12.070 11.504 4.636 111 HE2 PHE 15 HE1 PHE 15 10.066 8.497 2.375 112 HZ PHE 15 HZ PHE 15 10.263 10.842 3.100 113 H LYS 16 H LYS 16 16.867 6.809 5.942 114 HA LYS 16 HA LYS 16 17.221 9.501 6.836 115 HB2 LYS 16 1HB LYS 16 18.601 6.897 7.437 116 HB3 LYS 16 2HB LYS 16 19.207 8.418 8.079 117 HG2 LYS 16 1HG LYS 16 17.793 8.225 9.766 118 HG3 LYS 16 2HG LYS 16 16.452 8.372 8.627 119 HD2 LYS 16 1HD LYS 16 15.926 6.347 9.522 120 HD3 LYS 16 2HD LYS 16 17.015 5.798 8.246 121 HE2 LYS 16 1HE LYS 16 18.283 6.520 10.810 122 HE3 LYS 16 2HE LYS 16 17.253 5.090 10.836 123 HZ1 LYS 16 3HZ LYS 16 19.737 4.846 10.251 124 HZ2 LYS 16 1HZ LYS 16 19.278 5.407 8.722 125 HZ3 LYS 16 2HZ LYS 16 18.596 3.989 9.343 126 H VAL 17 H VAL 17 17.711 10.354 4.645 127 HA VAL 17 HA VAL 17 20.575 10.050 4.011 128 HB VAL 17 HB VAL 17 19.330 11.198 1.780 129 HG11 VAL 17 1HG1 VAL 17 19.964 8.279 1.955 130 HG12 VAL 17 2HG1 VAL 17 20.256 9.410 0.632 131 HG13 VAL 17 3HG1 VAL 17 21.247 9.482 2.091 132 HG21 VAL 17 3HG2 VAL 17 17.595 9.585 1.187 133 HG22 VAL 17 1HG2 VAL 17 17.771 8.808 2.760 134 HG23 VAL 17 2HG2 VAL 17 17.166 10.462 2.656 135 H ARG 18 H ARG 18 18.079 12.166 4.961 136 HA ARG 18 HA ARG 18 19.771 14.507 4.381 137 HB2 ARG 18 1HB ARG 18 17.318 14.253 3.458 138 HB3 ARG 18 2HB ARG 18 16.876 14.766 5.081 139 HG2 ARG 18 1HG ARG 18 18.927 16.403 3.755 140 HG3 ARG 18 2HG ARG 18 17.319 16.449 3.028 141 HD2 ARG 18 1HD ARG 18 17.823 16.874 5.966 142 HD3 ARG 18 2HD ARG 18 17.776 18.190 4.794 143 HE ARG 18 HE ARG 18 15.544 16.794 5.898 144 HH11 ARG 18 1HH1 ARG 18 16.690 18.473 3.072 145 HH12 ARG 18 2HH1 ARG 18 15.106 18.927 2.539 146 HH21 ARG 18 1HH2 ARG 18 13.452 17.386 5.207 147 HH22 ARG 18 2HH2 ARG 18 13.265 18.309 3.754 148 HA PRO 19 HA PRO 19 19.789 13.878 8.983 149 HB2 PRO 19 1HB PRO 19 22.451 14.326 9.269 150 HB3 PRO 19 2HB PRO 19 21.780 12.734 8.894 151 HG2 PRO 19 1HG PRO 19 23.007 14.753 7.056 152 HG3 PRO 19 2HG PRO 19 23.233 12.995 7.097 153 HD2 PRO 19 1HD PRO 19 21.593 14.212 5.319 154 HD3 PRO 19 2HD PRO 19 21.268 12.590 5.963 155 H THR 20 H THR 20 20.552 16.357 6.770 156 HA THR 20 HA THR 20 21.560 18.408 8.308 157 HB THR 20 HB THR 20 19.393 19.177 6.436 158 HG1 THR 20 HG1 THR 20 21.698 17.701 5.651 159 HG21 THR 20 3HG2 THR 20 22.002 20.139 5.775 160 HG22 THR 20 1HG2 THR 20 21.755 20.299 7.513 161 HG23 THR 20 2HG2 THR 20 20.615 21.038 6.389 162 H PHE 21 H PHE 21 18.333 17.087 8.272 163 HA PHE 21 HA PHE 21 16.991 19.208 9.553 164 HB2 PHE 21 1HB PHE 21 16.252 16.780 8.493 165 HB3 PHE 21 2HB PHE 21 16.010 16.525 10.219 166 HD1 PHE 21 HD2 PHE 21 14.401 17.890 11.461 167 HD2 PHE 21 HD1 PHE 21 14.863 18.268 7.247 168 HE1 PHE 21 HE2 PHE 21 12.252 19.082 11.335 169 HE2 PHE 21 HE1 PHE 21 12.716 19.461 7.114 170 HZ PHE 21 HZ PHE 21 11.407 19.869 9.160 171 H ALA 22 H ALA 22 18.379 16.207 10.877 172 HA ALA 22 HA ALA 22 17.896 16.987 13.591 173 HB1 ALA 22 1HB ALA 22 19.288 14.985 14.130 174 HB2 ALA 22 2HB ALA 22 17.907 14.654 13.083 175 HB3 ALA 22 3HB ALA 22 19.529 14.755 12.398 176 H ALA 23 H ALA 23 20.559 17.246 11.343 177 HA ALA 23 HA ALA 23 22.651 17.749 13.131 178 HB1 ALA 23 1HB ALA 23 23.043 17.299 10.780 179 HB2 ALA 23 2HB ALA 23 22.253 18.814 10.338 180 HB3 ALA 23 3HB ALA 23 23.771 18.840 11.237 181 H GLY 24 H GLY 24 20.421 20.013 11.526 182 HA2 GLY 24 1HA GLY 24 21.292 22.071 13.461 183 HA3 GLY 24 2HA GLY 24 20.762 22.435 11.826 184 H LEU 25 H LEU 25 19.130 20.031 13.740 185 HA LEU 25 HA LEU 25 16.589 21.037 13.366 186 HB2 LEU 25 1HB LEU 25 15.843 19.462 14.897 187 HB3 LEU 25 2HB LEU 25 17.347 18.771 14.292 188 HG LEU 25 HG LEU 25 18.310 19.997 16.455 189 HD11 LEU 25 1HD1 LEU 25 16.370 19.252 18.180 190 HD12 LEU 25 2HD1 LEU 25 15.398 19.872 16.845 191 HD13 LEU 25 3HD1 LEU 25 16.607 20.904 17.609 192 HD21 LEU 25 3HD2 LEU 25 18.766 17.743 16.222 193 HD22 LEU 25 1HD2 LEU 25 17.062 17.302 16.107 194 HD23 LEU 25 2HD2 LEU 25 17.749 17.768 17.664 195 H LEU 26 H LEU 26 18.979 21.930 15.742 196 HA LEU 26 HA LEU 26 17.305 23.268 17.565 197 HB2 LEU 26 1HB LEU 26 20.188 23.200 16.953 198 HB3 LEU 26 2HB LEU 26 19.613 24.652 17.771 199 HG LEU 26 HG LEU 26 18.730 23.257 19.593 200 HD11 LEU 26 1HD1 LEU 26 19.376 21.131 17.711 201 HD12 LEU 26 2HD1 LEU 26 18.273 21.134 19.086 202 HD13 LEU 26 3HD1 LEU 26 19.993 20.834 19.337 203 HD21 LEU 26 3HD2 LEU 26 20.910 24.165 19.907 204 HD22 LEU 26 1HD2 LEU 26 21.640 22.918 18.896 205 HD23 LEU 26 2HD2 LEU 26 20.952 22.491 20.463 206 H LEU 27 H LEU 27 16.296 25.172 17.484 207 HA LEU 27 HA LEU 27 17.201 27.222 15.612 208 HB2 LEU 27 1HB LEU 27 15.089 25.557 14.984 209 HB3 LEU 27 2HB LEU 27 14.301 26.992 15.637 210 HG LEU 27 HG LEU 27 16.144 28.031 13.865 211 HD11 LEU 27 1HD1 LEU 27 14.795 25.810 12.385 212 HD12 LEU 27 2HD1 LEU 27 16.373 25.562 13.131 213 HD13 LEU 27 3HD1 LEU 27 16.165 26.808 11.900 214 HD21 LEU 27 3HD2 LEU 27 13.782 28.700 14.268 215 HD22 LEU 27 1HD2 LEU 27 13.271 27.338 13.270 216 HD23 LEU 27 2HD2 LEU 27 14.225 28.641 12.561 217 H ARG 28 H ARG 28 15.818 29.274 15.931 218 HA ARG 28 HA ARG 28 15.232 29.582 18.803 219 HB2 ARG 28 1HB ARG 28 16.989 31.111 17.018 220 HB3 ARG 28 2HB ARG 28 15.887 32.110 17.957 221 HG2 ARG 28 1HG ARG 28 17.121 30.081 19.599 222 HG3 ARG 28 2HG ARG 28 18.325 31.080 18.783 223 HD2 ARG 28 1HD ARG 28 17.665 32.994 19.855 224 HD3 ARG 28 2HD ARG 28 16.009 32.428 20.073 225 HE ARG 28 HE ARG 28 18.157 32.140 21.907 226 HH11 ARG 28 1HH1 ARG 28 15.318 30.530 20.696 227 HH12 ARG 28 2HH1 ARG 28 15.052 29.625 22.149 228 HH21 ARG 28 1HH2 ARG 28 17.818 30.954 23.825 229 HH22 ARG 28 2HH2 ARG 28 16.474 29.867 23.929 Start of MODEL 3 1 H1 ASP 1 H ASP 1 2.659 -6.585 5.201 2 HA ASP 1 HA ASP 1 0.644 -6.599 3.067 3 HB2 ASP 1 1HB ASP 1 2.037 -4.509 4.189 4 HB3 ASP 1 2HB ASP 1 2.957 -4.830 2.721 5 H ILE 2 H ILE 2 1.693 -6.374 0.798 6 HA ILE 2 HA ILE 2 2.857 -8.768 0.089 7 HB ILE 2 HB ILE 2 3.173 -6.141 -1.367 8 HG12 ILE 2 1HG1 ILE 2 1.217 -7.982 -2.447 9 HG13 ILE 2 2HG1 ILE 2 0.842 -7.583 -0.774 10 HG21 ILE 2 1HG2 ILE 2 3.333 -7.671 -3.370 11 HG22 ILE 2 2HG2 ILE 2 4.720 -7.675 -2.283 12 HG23 ILE 2 3HG2 ILE 2 3.554 -8.996 -2.228 13 HD11 ILE 2 3HD1 ILE 2 0.341 -6.066 -3.093 14 HD12 ILE 2 1HD1 ILE 2 0.002 -5.646 -1.414 15 HD13 ILE 2 2HD1 ILE 2 1.543 -5.192 -2.143 16 H GLY 3 H GLY 3 4.433 -5.724 0.942 17 HA2 GLY 3 1HA GLY 3 6.886 -7.168 1.511 18 HA3 GLY 3 2HA GLY 3 6.999 -5.999 0.204 19 H MET 4 H MET 4 5.950 -6.277 3.592 20 HA MET 4 HA MET 4 6.280 -3.442 4.021 21 HB2 MET 4 1HB MET 4 4.863 -5.514 5.285 22 HB3 MET 4 2HB MET 4 6.055 -4.970 6.458 23 HG2 MET 4 1HG MET 4 5.159 -2.595 5.689 24 HG3 MET 4 2HG MET 4 3.726 -3.549 5.313 25 HE1 MET 4 3HE MET 4 2.130 -2.232 7.931 26 HE2 MET 4 1HE MET 4 2.090 -3.231 6.478 27 HE3 MET 4 2HE MET 4 1.853 -3.969 8.061 28 H GLY 5 H GLY 5 8.278 -6.184 4.100 29 HA2 GLY 5 1HA GLY 5 10.073 -5.308 6.162 30 HA3 GLY 5 2HA GLY 5 10.358 -6.606 5.012 31 H VAL 6 H VAL 6 9.651 -4.514 2.856 32 HA VAL 6 HA VAL 6 12.390 -3.682 2.433 33 HB VAL 6 HB VAL 6 10.804 -4.565 0.624 34 HG11 VAL 6 1HG1 VAL 6 9.186 -3.212 -0.299 35 HG12 VAL 6 2HG1 VAL 6 9.040 -2.803 1.412 36 HG13 VAL 6 3HG1 VAL 6 9.918 -1.732 0.319 37 HG21 VAL 6 3HG2 VAL 6 12.009 -3.471 -1.035 38 HG22 VAL 6 1HG2 VAL 6 12.051 -1.952 -0.140 39 HG23 VAL 6 2HG2 VAL 6 13.052 -3.308 0.378 40 H THR 7 H THR 7 9.337 -2.239 3.328 41 HA THR 7 HA THR 7 10.236 0.471 2.968 42 HB THR 7 HB THR 7 7.899 0.157 2.718 43 HG1 THR 7 HG1 THR 7 7.162 1.333 4.792 44 HG21 THR 7 3HG2 THR 7 6.507 -0.710 4.634 45 HG22 THR 7 1HG2 THR 7 8.011 -1.223 5.397 46 HG23 THR 7 2HG2 THR 7 7.531 -1.910 3.845 47 H TYR 8 H TYR 8 9.880 -1.775 5.664 48 HA TYR 8 HA TYR 8 10.497 0.126 7.692 49 HB2 TYR 8 1HB TYR 8 9.267 -2.039 8.050 50 HB3 TYR 8 2HB TYR 8 10.801 -2.877 7.845 51 HD1 TYR 8 HD1 TYR 8 12.566 -2.670 9.536 52 HD2 TYR 8 HD2 TYR 8 8.772 -0.820 10.067 53 HE1 TYR 8 HE1 TYR 8 13.056 -2.366 11.927 54 HE2 TYR 8 HE2 TYR 8 9.252 -0.510 12.460 55 HH TYR 8 HH TYR 8 12.395 -1.094 13.795 56 H LEU 9 H LEU 9 12.378 -1.480 5.382 57 HA LEU 9 HA LEU 9 14.831 -1.082 6.958 58 HB2 LEU 9 1HB LEU 9 13.965 -3.111 5.057 59 HB3 LEU 9 2HB LEU 9 15.558 -2.458 4.683 60 HG LEU 9 HG LEU 9 14.742 -3.745 7.288 61 HD11 LEU 9 1HD1 LEU 9 16.759 -4.803 5.348 62 HD12 LEU 9 2HD1 LEU 9 15.045 -5.171 5.160 63 HD13 LEU 9 3HD1 LEU 9 15.892 -5.647 6.631 64 HD21 LEU 9 3HD2 LEU 9 16.384 -2.124 7.792 65 HD22 LEU 9 1HD2 LEU 9 17.318 -2.511 6.347 66 HD23 LEU 9 2HD2 LEU 9 17.240 -3.663 7.681 67 H ALA 10 H ALA 10 13.134 -0.199 4.054 68 HA ALA 10 HA ALA 10 15.426 1.383 3.128 69 HB1 ALA 10 1HB ALA 10 14.321 1.540 1.011 70 HB2 ALA 10 2HB ALA 10 14.288 -0.147 1.526 71 HB3 ALA 10 3HB ALA 10 12.840 0.850 1.676 72 H LEU 11 H LEU 11 11.889 1.773 3.440 73 HA LEU 11 HA LEU 11 11.995 4.608 3.323 74 HB2 LEU 11 1HB LEU 11 9.906 2.597 4.040 75 HB3 LEU 11 2HB LEU 11 9.622 4.305 4.365 76 HG LEU 11 HG LEU 11 10.191 3.114 1.651 77 HD11 LEU 11 1HD1 LEU 11 7.675 4.237 1.633 78 HD12 LEU 11 2HD1 LEU 11 7.748 3.416 3.192 79 HD13 LEU 11 3HD1 LEU 11 8.047 2.515 1.706 80 HD21 LEU 11 3HD2 LEU 11 10.877 5.247 1.316 81 HD22 LEU 11 1HD2 LEU 11 9.951 5.877 2.679 82 HD23 LEU 11 2HD2 LEU 11 9.142 5.521 1.152 83 H LEU 12 H LEU 12 12.758 2.425 5.771 84 HA LEU 12 HA LEU 12 12.247 4.393 7.890 85 HB2 LEU 12 1HB LEU 12 11.993 1.583 7.764 86 HB3 LEU 12 2HB LEU 12 13.308 1.933 8.884 87 HG LEU 12 HG LEU 12 11.257 1.697 10.113 88 HD11 LEU 12 1HD1 LEU 12 12.976 3.653 10.508 89 HD12 LEU 12 2HD1 LEU 12 11.492 3.531 11.453 90 HD13 LEU 12 3HD1 LEU 12 11.583 4.652 10.095 91 HD21 LEU 12 3HD2 LEU 12 9.262 2.450 9.446 92 HD22 LEU 12 1HD2 LEU 12 10.034 2.731 7.885 93 HD23 LEU 12 2HD2 LEU 12 9.896 4.048 9.050 94 H ALA 13 H ALA 13 14.782 2.453 6.394 95 HA ALA 13 HA ALA 13 16.798 3.842 8.015 96 HB1 ALA 13 1HB ALA 13 18.063 1.996 7.916 97 HB2 ALA 13 2HB ALA 13 16.576 1.192 7.411 98 HB3 ALA 13 3HB ALA 13 17.734 1.745 6.201 99 H ALA 14 H ALA 14 16.483 2.720 4.638 100 HA ALA 14 HA ALA 14 18.451 4.302 3.520 101 HB1 ALA 14 1HB ALA 14 15.923 3.771 2.014 102 HB2 ALA 14 2HB ALA 14 17.593 3.730 1.449 103 HB3 ALA 14 3HB ALA 14 16.979 2.437 2.480 104 H PHE 15 H PHE 15 15.319 5.212 4.657 105 HA PHE 15 HA PHE 15 14.935 7.565 3.159 106 HB2 PHE 15 1HB PHE 15 13.322 6.261 4.764 107 HB3 PHE 15 2HB PHE 15 13.981 7.338 5.990 108 HD1 PHE 15 HD1 PHE 15 12.559 7.504 2.544 109 HD2 PHE 15 HD2 PHE 15 12.876 9.307 6.387 110 HE1 PHE 15 HE1 PHE 15 10.976 9.254 1.850 111 HE2 PHE 15 HE2 PHE 15 11.293 11.060 5.699 112 HZ PHE 15 HZ PHE 15 10.340 11.035 3.428 113 H LYS 16 H LYS 16 16.856 6.853 5.975 114 HA LYS 16 HA LYS 16 17.308 9.587 6.712 115 HB2 LYS 16 1HB LYS 16 18.603 6.985 7.510 116 HB3 LYS 16 2HB LYS 16 19.172 8.537 8.109 117 HG2 LYS 16 1HG LYS 16 17.694 8.357 9.746 118 HG3 LYS 16 2HG LYS 16 16.419 8.560 8.543 119 HD2 LYS 16 1HD LYS 16 15.740 6.558 9.349 120 HD3 LYS 16 2HD LYS 16 16.945 5.944 8.215 121 HE2 LYS 16 1HE LYS 16 17.830 4.899 9.981 122 HE3 LYS 16 2HE LYS 16 18.442 6.484 10.449 123 HZ1 LYS 16 3HZ LYS 16 17.317 5.543 12.304 124 HZ2 LYS 16 1HZ LYS 16 15.945 5.183 11.382 125 HZ3 LYS 16 2HZ LYS 16 16.343 6.793 11.712 126 H VAL 17 H VAL 17 18.679 7.390 4.445 127 HA VAL 17 HA VAL 17 21.226 8.688 4.212 128 HB VAL 17 HB VAL 17 19.922 6.887 2.173 129 HG11 VAL 17 1HG1 VAL 17 22.761 7.702 2.739 130 HG12 VAL 17 2HG1 VAL 17 22.347 6.309 1.738 131 HG13 VAL 17 3HG1 VAL 17 21.835 7.927 1.256 132 HG21 VAL 17 3HG2 VAL 17 21.581 6.126 4.576 133 HG22 VAL 17 1HG2 VAL 17 19.870 5.776 4.332 134 HG23 VAL 17 2HG2 VAL 17 21.080 5.027 3.291 135 H ARG 18 H ARG 18 18.125 9.501 3.231 136 HA ARG 18 HA ARG 18 18.668 10.685 0.707 137 HB2 ARG 18 1HB ARG 18 16.406 10.288 2.372 138 HB3 ARG 18 2HB ARG 18 16.502 12.010 2.026 139 HG2 ARG 18 1HG ARG 18 16.970 10.568 -0.385 140 HG3 ARG 18 2HG ARG 18 15.507 9.947 0.383 141 HD2 ARG 18 1HD ARG 18 15.872 12.893 0.244 142 HD3 ARG 18 2HD ARG 18 15.462 12.039 -1.243 143 HE ARG 18 HE ARG 18 13.668 11.124 0.609 144 HH11 ARG 18 1HH1 ARG 18 14.575 14.246 -0.637 145 HH12 ARG 18 2HH1 ARG 18 13.003 14.938 -0.410 146 HH21 ARG 18 1HH2 ARG 18 11.594 12.024 0.912 147 HH22 ARG 18 2HH2 ARG 18 11.308 13.674 0.472 148 HA PRO 19 HA PRO 19 18.874 14.844 3.152 149 HB2 PRO 19 1HB PRO 19 18.947 14.700 5.862 150 HB3 PRO 19 2HB PRO 19 17.439 14.804 4.946 151 HG2 PRO 19 1HG PRO 19 18.775 12.400 6.129 152 HG3 PRO 19 2HG PRO 19 17.057 12.841 6.133 153 HD2 PRO 19 1HD PRO 19 18.090 11.023 4.413 154 HD3 PRO 19 2HD PRO 19 16.725 12.076 3.985 155 H THR 20 H THR 20 20.628 12.014 3.958 156 HA THR 20 HA THR 20 22.805 12.993 5.377 157 HB THR 20 HB THR 20 22.772 10.808 3.286 158 HG1 THR 20 HG1 THR 20 22.253 10.909 6.061 159 HG21 THR 20 3HG2 THR 20 24.743 10.125 5.007 160 HG22 THR 20 1HG2 THR 20 24.909 11.880 5.014 161 HG23 THR 20 2HG2 THR 20 25.017 10.991 3.495 162 H PHE 21 H PHE 21 21.955 13.417 2.047 163 HA PHE 21 HA PHE 21 24.524 14.100 1.058 164 HB2 PHE 21 1HB PHE 21 22.038 13.684 -0.060 165 HB3 PHE 21 2HB PHE 21 22.273 15.416 -0.274 166 HD1 PHE 21 HD2 PHE 21 24.722 16.041 -1.144 167 HD2 PHE 21 HD1 PHE 21 22.763 12.309 -1.738 168 HE1 PHE 21 HE2 PHE 21 26.152 15.606 -3.098 169 HE2 PHE 21 HE1 PHE 21 24.191 11.867 -3.693 170 HZ PHE 21 HZ PHE 21 25.887 13.517 -4.376 171 H ALA 22 H ALA 22 21.763 16.095 2.092 172 HA ALA 22 HA ALA 22 23.250 18.540 1.850 173 HB1 ALA 22 1HB ALA 22 20.615 18.095 3.244 174 HB2 ALA 22 2HB ALA 22 21.276 19.628 2.673 175 HB3 ALA 22 3HB ALA 22 20.791 18.390 1.514 176 H ALA 23 H ALA 23 22.538 16.256 4.388 177 HA ALA 23 HA ALA 23 23.097 17.852 6.626 178 HB1 ALA 23 1HB ALA 23 23.089 15.899 7.869 179 HB2 ALA 23 2HB ALA 23 22.101 15.466 6.473 180 HB3 ALA 23 3HB ALA 23 23.783 14.941 6.561 181 H GLY 24 H GLY 24 25.221 15.798 4.650 182 HA2 GLY 24 1HA GLY 24 27.526 17.099 5.965 183 HA3 GLY 24 2HA GLY 24 27.553 15.442 5.381 184 H LEU 25 H LEU 25 26.005 17.970 3.553 185 HA LEU 25 HA LEU 25 27.326 17.421 1.179 186 HB2 LEU 25 1HB LEU 25 26.271 19.281 0.282 187 HB3 LEU 25 2HB LEU 25 25.211 18.801 1.605 188 HG LEU 25 HG LEU 25 26.686 20.615 2.897 189 HD11 LEU 25 1HD1 LEU 25 26.761 22.553 1.122 190 HD12 LEU 25 2HD1 LEU 25 26.990 21.213 -0.001 191 HD13 LEU 25 3HD1 LEU 25 28.123 21.451 1.329 192 HD21 LEU 25 3HD2 LEU 25 24.108 20.485 1.720 193 HD22 LEU 25 1HD2 LEU 25 24.747 22.108 1.457 194 HD23 LEU 25 2HD2 LEU 25 24.644 21.456 3.092 195 H LEU 26 H LEU 26 28.281 19.445 3.844 196 HA LEU 26 HA LEU 26 30.230 21.007 2.559 197 HB2 LEU 26 1HB LEU 26 29.563 20.266 5.330 198 HB3 LEU 26 2HB LEU 26 31.235 20.753 5.057 199 HG LEU 26 HG LEU 26 30.438 22.896 4.140 200 HD11 LEU 26 1HD1 LEU 26 27.912 21.520 4.191 201 HD12 LEU 26 2HD1 LEU 26 28.349 23.040 3.411 202 HD13 LEU 26 3HD1 LEU 26 27.819 23.034 5.092 203 HD21 LEU 26 3HD2 LEU 26 31.043 22.915 6.429 204 HD22 LEU 26 1HD2 LEU 26 29.543 22.119 6.906 205 HD23 LEU 26 2HD2 LEU 26 29.510 23.781 6.314 206 H LEU 27 H LEU 27 30.226 17.703 3.580 207 HA LEU 27 HA LEU 27 33.085 17.395 3.569 208 HB2 LEU 27 1HB LEU 27 31.008 15.962 4.613 209 HB3 LEU 27 2HB LEU 27 31.458 14.985 3.217 210 HG LEU 27 HG LEU 27 32.583 14.144 5.163 211 HD11 LEU 27 1HD1 LEU 27 34.964 15.386 4.143 212 HD12 LEU 27 2HD1 LEU 27 33.870 14.975 2.823 213 HD13 LEU 27 3HD1 LEU 27 34.394 13.727 3.954 214 HD21 LEU 27 3HD2 LEU 27 32.606 15.932 6.677 215 HD22 LEU 27 1HD2 LEU 27 33.422 17.003 5.537 216 HD23 LEU 27 2HD2 LEU 27 34.304 15.667 6.278 217 H ARG 28 H ARG 28 30.471 16.167 1.473 218 HA ARG 28 HA ARG 28 32.236 15.205 -0.528 219 HB2 ARG 28 1HB ARG 28 29.421 15.208 -0.034 220 HB3 ARG 28 2HB ARG 28 29.699 15.776 -1.674 221 HG2 ARG 28 1HG ARG 28 30.995 13.280 -0.640 222 HG3 ARG 28 2HG ARG 28 29.364 13.273 -1.313 223 HD2 ARG 28 1HD ARG 28 31.545 14.574 -2.866 224 HD3 ARG 28 2HD ARG 28 31.478 12.813 -2.822 225 HE ARG 28 HE ARG 28 29.681 14.585 -4.200 226 HH11 ARG 28 1HH1 ARG 28 30.073 11.428 -2.787 227 HH12 ARG 28 2HH1 ARG 28 28.839 10.696 -3.759 228 HH21 ARG 28 1HH2 ARG 28 28.054 13.633 -5.486 229 HH22 ARG 28 2HH2 ARG 28 27.692 11.951 -5.294 Start of MODEL 4 1 H1 ASP 1 H ASP 1 2.944 -7.142 5.327 2 HA ASP 1 HA ASP 1 0.730 -7.422 3.429 3 HB2 ASP 1 1HB ASP 1 1.843 -5.183 4.535 4 HB3 ASP 1 2HB ASP 1 2.680 -5.263 2.988 5 H ILE 2 H ILE 2 1.662 -6.595 1.099 6 HA ILE 2 HA ILE 2 2.887 -8.777 -0.053 7 HB ILE 2 HB ILE 2 3.028 -5.923 -1.033 8 HG12 ILE 2 1HG1 ILE 2 1.141 -7.404 -2.494 9 HG13 ILE 2 2HG1 ILE 2 0.847 -7.807 -0.806 10 HG21 ILE 2 1HG2 ILE 2 4.642 -7.303 -2.177 11 HG22 ILE 2 2HG2 ILE 2 3.421 -8.539 -2.479 12 HG23 ILE 2 3HG2 ILE 2 3.293 -6.964 -3.261 13 HD11 ILE 2 3HD1 ILE 2 1.181 -4.949 -1.531 14 HD12 ILE 2 1HD1 ILE 2 -0.325 -5.761 -1.961 15 HD13 ILE 2 2HD1 ILE 2 0.191 -5.693 -0.275 16 H GLY 3 H GLY 3 4.403 -5.766 1.067 17 HA2 GLY 3 1HA GLY 3 6.886 -7.166 1.540 18 HA3 GLY 3 2HA GLY 3 6.966 -6.001 0.227 19 H MET 4 H MET 4 5.929 -6.255 3.623 20 HA MET 4 HA MET 4 6.280 -3.420 4.033 21 HB2 MET 4 1HB MET 4 4.835 -5.454 5.302 22 HB3 MET 4 2HB MET 4 6.052 -4.962 6.472 23 HG2 MET 4 1HG MET 4 4.036 -3.699 6.810 24 HG3 MET 4 2HG MET 4 5.317 -2.634 6.234 25 HE1 MET 4 3HE MET 4 2.540 -0.768 4.638 26 HE2 MET 4 1HE MET 4 1.817 -1.869 5.812 27 HE3 MET 4 2HE MET 4 3.369 -1.106 6.158 28 H GLY 5 H GLY 5 8.266 -6.169 4.122 29 HA2 GLY 5 1HA GLY 5 10.070 -5.293 6.175 30 HA3 GLY 5 2HA GLY 5 10.348 -6.594 5.028 31 H VAL 6 H VAL 6 9.646 -4.512 2.864 32 HA VAL 6 HA VAL 6 12.385 -3.687 2.435 33 HB VAL 6 HB VAL 6 10.792 -4.571 0.633 34 HG11 VAL 6 1HG1 VAL 6 9.037 -2.800 1.416 35 HG12 VAL 6 2HG1 VAL 6 9.917 -1.735 0.318 36 HG13 VAL 6 3HG1 VAL 6 9.177 -3.215 -0.292 37 HG21 VAL 6 3HG2 VAL 6 11.996 -3.486 -1.034 38 HG22 VAL 6 1HG2 VAL 6 12.052 -1.967 -0.140 39 HG23 VAL 6 2HG2 VAL 6 13.045 -3.330 0.376 40 H THR 7 H THR 7 9.337 -2.232 3.330 41 HA THR 7 HA THR 7 10.244 0.474 2.960 42 HB THR 7 HB THR 7 7.907 0.166 2.711 43 HG1 THR 7 HG1 THR 7 7.108 1.456 4.560 44 HG21 THR 7 3HG2 THR 7 7.533 -1.895 3.846 45 HG22 THR 7 1HG2 THR 7 6.511 -0.691 4.628 46 HG23 THR 7 2HG2 THR 7 8.014 -1.204 5.395 47 H TYR 8 H TYR 8 9.884 -1.764 5.661 48 HA TYR 8 HA TYR 8 10.506 0.142 7.685 49 HB2 TYR 8 1HB TYR 8 9.269 -2.020 8.047 50 HB3 TYR 8 2HB TYR 8 10.801 -2.862 7.848 51 HD1 TYR 8 HD1 TYR 8 12.563 -2.656 9.542 52 HD2 TYR 8 HD2 TYR 8 8.775 -0.788 10.059 53 HE1 TYR 8 HE1 TYR 8 13.050 -2.344 11.932 54 HE2 TYR 8 HE2 TYR 8 9.252 -0.470 12.451 55 HH TYR 8 HH TYR 8 12.344 -0.878 13.779 56 H LEU 9 H LEU 9 12.382 -1.471 5.378 57 HA LEU 9 HA LEU 9 14.836 -1.077 6.953 58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061 59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685 60 HG LEU 9 HG LEU 9 14.738 -3.737 7.296 61 HD11 LEU 9 1HD1 LEU 9 15.932 -5.636 6.651 62 HD12 LEU 9 2HD1 LEU 9 16.725 -4.800 5.317 63 HD13 LEU 9 3HD1 LEU 9 15.010 -5.199 5.212 64 HD21 LEU 9 3HD2 LEU 9 17.251 -3.669 7.665 65 HD22 LEU 9 1HD2 LEU 9 16.385 -2.139 7.812 66 HD23 LEU 9 2HD2 LEU 9 17.306 -2.494 6.350 67 H ALA 10 H ALA 10 13.141 -0.202 4.046 68 HA ALA 10 HA ALA 10 15.438 1.369 3.112 69 HB1 ALA 10 1HB ALA 10 14.336 1.517 0.993 70 HB2 ALA 10 2HB ALA 10 14.292 -0.167 1.518 71 HB3 ALA 10 3HB ALA 10 12.851 0.839 1.661 72 H LEU 11 H LEU 11 11.903 1.766 3.439 73 HA LEU 11 HA LEU 11 12.021 4.603 3.307 74 HB2 LEU 11 1HB LEU 11 9.919 2.603 4.023 75 HB3 LEU 11 2HB LEU 11 9.642 4.316 4.335 76 HG LEU 11 HG LEU 11 10.216 3.100 1.633 77 HD11 LEU 11 1HD1 LEU 11 7.709 3.742 3.094 78 HD12 LEU 11 2HD1 LEU 11 8.066 2.420 1.984 79 HD13 LEU 11 3HD1 LEU 11 7.769 4.042 1.357 80 HD21 LEU 11 3HD2 LEU 11 9.678 5.909 2.554 81 HD22 LEU 11 1HD2 LEU 11 9.406 5.393 0.889 82 HD23 LEU 11 2HD2 LEU 11 11.024 5.306 1.585 83 H LEU 12 H LEU 12 12.778 2.425 5.756 84 HA LEU 12 HA LEU 12 12.263 4.398 7.871 85 HB2 LEU 12 1HB LEU 12 11.992 1.589 7.750 86 HB3 LEU 12 2HB LEU 12 13.305 1.933 8.875 87 HG LEU 12 HG LEU 12 11.491 3.640 9.833 88 HD11 LEU 12 1HD1 LEU 12 9.978 2.480 7.916 89 HD12 LEU 12 2HD1 LEU 12 9.336 3.182 9.401 90 HD13 LEU 12 3HD1 LEU 12 9.615 1.444 9.297 91 HD21 LEU 12 3HD2 LEU 12 11.860 0.712 10.380 92 HD22 LEU 12 1HD2 LEU 12 10.778 1.709 11.353 93 HD23 LEU 12 2HD2 LEU 12 12.497 2.095 11.273 94 H ALA 13 H ALA 13 14.791 2.453 6.377 95 HA ALA 13 HA ALA 13 16.810 3.827 8.008 96 HB1 ALA 13 1HB ALA 13 16.587 1.187 7.459 97 HB2 ALA 13 2HB ALA 13 17.691 1.698 6.182 98 HB3 ALA 13 3HB ALA 13 18.102 1.991 7.872 99 H ALA 14 H ALA 14 16.474 2.720 4.628 100 HA ALA 14 HA ALA 14 18.462 4.302 3.523 101 HB1 ALA 14 1HB ALA 14 15.957 3.751 1.988 102 HB2 ALA 14 2HB ALA 14 17.637 3.703 1.451 103 HB3 ALA 14 3HB ALA 14 17.004 2.420 2.481 104 H PHE 15 H PHE 15 15.341 5.202 4.668 105 HA PHE 15 HA PHE 15 14.971 7.557 3.141 106 HB2 PHE 15 1HB PHE 15 13.327 6.206 4.708 107 HB3 PHE 15 2HB PHE 15 13.903 7.342 5.924 108 HD1 PHE 15 HD1 PHE 15 12.457 7.235 2.498 109 HD2 PHE 15 HD2 PHE 15 12.888 9.406 6.134 110 HE1 PHE 15 HE1 PHE 15 10.852 8.912 1.683 111 HE2 PHE 15 HE2 PHE 15 11.283 11.085 5.325 112 HZ PHE 15 HZ PHE 15 10.262 10.840 3.097 113 H LYS 16 H LYS 16 16.866 6.808 5.942 114 HA LYS 16 HA LYS 16 17.219 9.501 6.837 115 HB2 LYS 16 1HB LYS 16 18.600 6.897 7.438 116 HB3 LYS 16 2HB LYS 16 19.206 8.418 8.080 117 HG2 LYS 16 1HG LYS 16 17.791 8.226 9.767 118 HG3 LYS 16 2HG LYS 16 16.451 8.372 8.627 119 HD2 LYS 16 1HD LYS 16 15.924 6.347 9.523 120 HD3 LYS 16 2HD LYS 16 17.013 5.799 8.246 121 HE2 LYS 16 1HE LYS 16 18.717 5.330 9.716 122 HE3 LYS 16 2HE LYS 16 18.153 6.500 10.909 123 HZ1 LYS 16 3HZ LYS 16 16.402 4.236 10.368 124 HZ2 LYS 16 1HZ LYS 16 16.739 5.021 11.828 125 HZ3 LYS 16 2HZ LYS 16 17.836 3.898 11.199 126 H VAL 17 H VAL 17 17.709 10.354 4.646 127 HA VAL 17 HA VAL 17 20.573 10.052 4.013 128 HB VAL 17 HB VAL 17 19.328 11.199 1.781 129 HG11 VAL 17 1HG1 VAL 17 19.964 8.280 1.957 130 HG12 VAL 17 2HG1 VAL 17 20.256 9.411 0.634 131 HG13 VAL 17 3HG1 VAL 17 21.246 9.483 2.093 132 HG21 VAL 17 3HG2 VAL 17 17.594 9.586 1.188 133 HG22 VAL 17 1HG2 VAL 17 17.770 8.808 2.761 134 HG23 VAL 17 2HG2 VAL 17 17.165 10.462 2.657 135 H ARG 18 H ARG 18 18.076 12.166 4.961 136 HA ARG 18 HA ARG 18 19.110 14.606 3.950 137 HB2 ARG 18 1HB ARG 18 16.869 13.775 5.473 138 HB3 ARG 18 2HB ARG 18 17.695 15.015 6.408 139 HG2 ARG 18 1HG ARG 18 17.118 15.466 3.514 140 HG3 ARG 18 2HG ARG 18 15.849 15.686 4.720 141 HD2 ARG 18 1HD ARG 18 17.738 17.091 5.924 142 HD3 ARG 18 2HD ARG 18 18.348 17.237 4.277 143 HE ARG 18 HE ARG 18 15.674 17.874 4.144 144 HH11 ARG 18 1HH1 ARG 18 18.480 19.074 5.818 145 HH12 ARG 18 2HH1 ARG 18 17.907 20.708 5.877 146 HH21 ARG 18 1HH2 ARG 18 14.908 20.021 4.215 147 HH22 ARG 18 2HH2 ARG 18 15.875 21.246 4.966 148 HA PRO 19 HA PRO 19 21.036 15.168 8.343 149 HB2 PRO 19 1HB PRO 19 21.018 13.018 10.001 150 HB3 PRO 19 2HB PRO 19 19.704 14.199 9.945 151 HG2 PRO 19 1HG PRO 19 19.884 11.505 8.653 152 HG3 PRO 19 2HG PRO 19 18.516 12.250 9.499 153 HD2 PRO 19 1HD PRO 19 18.695 12.180 6.799 154 HD3 PRO 19 2HD PRO 19 17.909 13.513 7.669 155 H THR 20 H THR 20 21.454 12.512 6.277 156 HA THR 20 HA THR 20 23.870 11.428 7.253 157 HB THR 20 HB THR 20 22.834 11.502 4.412 158 HG1 THR 20 HG1 THR 20 22.277 9.255 5.061 159 HG21 THR 20 3HG2 THR 20 24.296 9.463 4.170 160 HG22 THR 20 1HG2 THR 20 25.035 9.901 5.710 161 HG23 THR 20 2HG2 THR 20 25.161 10.992 4.329 162 H PHE 21 H PHE 21 23.147 14.301 5.466 163 HA PHE 21 HA PHE 21 25.766 14.706 4.396 164 HB2 PHE 21 1HB PHE 21 23.282 15.845 3.981 165 HB3 PHE 21 2HB PHE 21 24.175 17.125 4.795 166 HD1 PHE 21 HD2 PHE 21 26.843 16.938 3.809 167 HD2 PHE 21 HD1 PHE 21 23.184 16.290 1.734 168 HE1 PHE 21 HE2 PHE 21 27.947 17.516 1.688 169 HE2 PHE 21 HE1 PHE 21 24.282 16.867 -0.390 170 HZ PHE 21 HZ PHE 21 26.667 17.482 -0.416 171 H ALA 22 H ALA 22 23.984 16.113 7.135 172 HA ALA 22 HA ALA 22 26.241 17.622 8.052 173 HB1 ALA 22 1HB ALA 22 24.738 17.868 10.130 174 HB2 ALA 22 2HB ALA 22 24.200 18.587 8.611 175 HB3 ALA 22 3HB ALA 22 23.513 17.056 9.154 176 H ALA 23 H ALA 23 24.795 14.517 8.844 177 HA ALA 23 HA ALA 23 26.143 13.995 11.240 178 HB1 ALA 23 1HB ALA 23 24.262 12.654 10.490 179 HB2 ALA 23 2HB ALA 23 25.213 12.047 9.134 180 HB3 ALA 23 3HB ALA 23 25.669 11.631 10.786 181 H GLY 24 H GLY 24 27.071 13.339 7.879 182 HA2 GLY 24 1HA GLY 24 29.777 12.666 8.861 183 HA3 GLY 24 2HA GLY 24 29.066 11.974 7.410 184 H LEU 25 H LEU 25 28.623 15.340 8.148 185 HA LEU 25 HA LEU 25 29.501 16.261 5.685 186 HB2 LEU 25 1HB LEU 25 29.248 18.411 6.516 187 HB3 LEU 25 2HB LEU 25 28.149 17.454 7.507 188 HG LEU 25 HG LEU 25 30.287 17.395 9.102 189 HD11 LEU 25 1HD1 LEU 25 31.851 18.640 7.946 190 HD12 LEU 25 2HD1 LEU 25 31.140 19.842 9.023 191 HD13 LEU 25 3HD1 LEU 25 30.648 19.775 7.330 192 HD21 LEU 25 3HD2 LEU 25 27.994 19.246 8.826 193 HD22 LEU 25 1HD2 LEU 25 29.264 19.705 9.961 194 HD23 LEU 25 2HD2 LEU 25 28.428 18.163 10.149 195 H LEU 26 H LEU 26 31.312 15.522 8.563 196 HA LEU 26 HA LEU 26 33.669 16.944 7.987 197 HB2 LEU 26 1HB LEU 26 32.890 14.713 9.752 198 HB3 LEU 26 2HB LEU 26 34.603 14.816 9.352 199 HG LEU 26 HG LEU 26 34.663 17.101 10.255 200 HD11 LEU 26 1HD1 LEU 26 32.736 18.213 10.331 201 HD12 LEU 26 2HD1 LEU 26 32.392 17.306 11.804 202 HD13 LEU 26 3HD1 LEU 26 31.782 16.731 10.252 203 HD21 LEU 26 3HD2 LEU 26 33.574 14.987 12.109 204 HD22 LEU 26 1HD2 LEU 26 34.342 16.485 12.634 205 HD23 LEU 26 2HD2 LEU 26 35.268 15.292 11.722 206 H LEU 27 H LEU 27 32.368 13.999 6.721 207 HA LEU 27 HA LEU 27 34.783 12.889 5.724 208 HB2 LEU 27 1HB LEU 27 32.366 11.883 6.036 209 HB3 LEU 27 2HB LEU 27 32.178 12.408 4.365 210 HG LEU 27 HG LEU 27 34.393 10.580 5.270 211 HD11 LEU 27 1HD1 LEU 27 31.692 9.854 4.147 212 HD12 LEU 27 2HD1 LEU 27 32.281 9.501 5.771 213 HD13 LEU 27 3HD1 LEU 27 33.041 8.740 4.373 214 HD21 LEU 27 3HD2 LEU 27 35.125 11.024 3.213 215 HD22 LEU 27 1HD2 LEU 27 33.631 11.853 2.776 216 HD23 LEU 27 2HD2 LEU 27 33.742 10.099 2.627 217 H ARG 28 H ARG 28 32.369 15.082 4.383 218 HA ARG 28 HA ARG 28 34.047 15.391 1.984 219 HB2 ARG 28 1HB ARG 28 31.213 15.121 2.336 220 HB3 ARG 28 2HB ARG 28 31.558 16.688 1.616 221 HG2 ARG 28 1HG ARG 28 33.107 15.229 0.050 222 HG3 ARG 28 2HG ARG 28 31.974 13.962 0.525 223 HD2 ARG 28 1HD ARG 28 30.148 15.084 -0.408 224 HD3 ARG 28 2HD ARG 28 31.008 16.622 -0.464 225 HE ARG 28 HE ARG 28 32.330 14.763 -2.105 226 HH11 ARG 28 1HH1 ARG 28 29.379 16.606 -1.962 227 HH12 ARG 28 2HH1 ARG 28 29.196 16.690 -3.683 228 HH21 ARG 28 1HH2 ARG 28 32.099 14.867 -4.372 229 HH22 ARG 28 2HH2 ARG 28 30.743 15.700 -5.052 Start of MODEL 5 1 H1 ASP 1 H ASP 1 2.671 -6.578 5.190 2 HA ASP 1 HA ASP 1 0.647 -6.579 3.064 3 HB2 ASP 1 1HB ASP 1 2.041 -4.495 4.191 4 HB3 ASP 1 2HB ASP 1 2.965 -4.812 2.726 5 H ILE 2 H ILE 2 1.683 -6.347 0.791 6 HA ILE 2 HA ILE 2 2.841 -8.738 0.066 7 HB ILE 2 HB ILE 2 3.226 -6.131 -1.407 8 HG12 ILE 2 1HG1 ILE 2 1.123 -7.674 -2.519 9 HG13 ILE 2 2HG1 ILE 2 0.825 -7.572 -0.787 10 HG21 ILE 2 1HG2 ILE 2 4.624 -7.838 -2.315 11 HG22 ILE 2 2HG2 ILE 2 3.309 -9.011 -2.282 12 HG23 ILE 2 3HG2 ILE 2 3.245 -7.647 -3.398 13 HD11 ILE 2 3HD1 ILE 2 0.525 -5.306 -0.835 14 HD12 ILE 2 1HD1 ILE 2 1.516 -5.094 -2.279 15 HD13 ILE 2 2HD1 ILE 2 -0.110 -5.764 -2.415 16 H GLY 3 H GLY 3 4.411 -5.728 1.004 17 HA2 GLY 3 1HA GLY 3 6.866 -7.163 1.534 18 HA3 GLY 3 2HA GLY 3 6.982 -5.999 0.223 19 H MET 4 H MET 4 5.937 -6.263 3.613 20 HA MET 4 HA MET 4 6.276 -3.427 4.033 21 HB2 MET 4 1HB MET 4 4.852 -5.488 5.304 22 HB3 MET 4 2HB MET 4 6.051 -4.952 6.473 23 HG2 MET 4 1HG MET 4 5.103 -2.578 5.570 24 HG3 MET 4 2HG MET 4 3.667 -3.593 5.452 25 HE1 MET 4 3HE MET 4 6.524 -2.318 7.797 26 HE2 MET 4 1HE MET 4 5.263 -1.102 7.586 27 HE3 MET 4 2HE MET 4 5.530 -1.830 9.170 28 H GLY 5 H GLY 5 8.266 -6.175 4.118 29 HA2 GLY 5 1HA GLY 5 10.067 -5.298 6.174 30 HA3 GLY 5 2HA GLY 5 10.347 -6.600 5.027 31 H VAL 6 H VAL 6 9.641 -4.509 2.867 32 HA VAL 6 HA VAL 6 12.381 -3.687 2.436 33 HB VAL 6 HB VAL 6 10.789 -4.570 0.633 34 HG11 VAL 6 1HG1 VAL 6 9.033 -2.802 1.418 35 HG12 VAL 6 2HG1 VAL 6 9.912 -1.735 0.321 36 HG13 VAL 6 3HG1 VAL 6 9.173 -3.216 -0.290 37 HG21 VAL 6 3HG2 VAL 6 13.040 -3.336 0.371 38 HG22 VAL 6 1HG2 VAL 6 11.984 -3.473 -1.035 39 HG23 VAL 6 2HG2 VAL 6 12.054 -1.962 -0.129 40 H THR 7 H THR 7 9.333 -2.233 3.333 41 HA THR 7 HA THR 7 10.239 0.473 2.964 42 HB THR 7 HB THR 7 7.902 0.165 2.719 43 HG1 THR 7 HG1 THR 7 7.139 1.383 4.712 44 HG21 THR 7 3HG2 THR 7 8.014 -1.209 5.400 45 HG22 THR 7 1HG2 THR 7 7.531 -1.899 3.851 46 HG23 THR 7 2HG2 THR 7 6.509 -0.695 4.637 47 H TYR 8 H TYR 8 9.882 -1.765 5.666 48 HA TYR 8 HA TYR 8 10.507 0.140 7.689 49 HB2 TYR 8 1HB TYR 8 9.271 -2.021 8.054 50 HB3 TYR 8 2HB TYR 8 10.802 -2.864 7.849 51 HD1 TYR 8 HD1 TYR 8 12.572 -2.657 9.536 52 HD2 TYR 8 HD2 TYR 8 8.783 -0.797 10.070 53 HE1 TYR 8 HE1 TYR 8 13.067 -2.348 11.925 54 HE2 TYR 8 HE2 TYR 8 9.268 -0.481 12.461 55 HH TYR 8 HH TYR 8 12.305 -1.647 13.888 56 H LEU 9 H LEU 9 12.380 -1.479 5.382 57 HA LEU 9 HA LEU 9 14.836 -1.084 6.953 58 HB2 LEU 9 1HB LEU 9 13.962 -3.115 5.058 59 HB3 LEU 9 2HB LEU 9 15.557 -2.467 4.681 60 HG LEU 9 HG LEU 9 14.738 -3.745 7.289 61 HD11 LEU 9 1HD1 LEU 9 15.908 -5.647 6.638 62 HD12 LEU 9 2HD1 LEU 9 16.739 -4.808 5.329 63 HD13 LEU 9 3HD1 LEU 9 15.023 -5.189 5.182 64 HD21 LEU 9 3HD2 LEU 9 17.366 -3.698 7.453 65 HD22 LEU 9 1HD2 LEU 9 16.393 -2.320 7.968 66 HD23 LEU 9 2HD2 LEU 9 17.181 -2.302 6.391 67 H ALA 10 H ALA 10 13.138 -0.203 4.049 68 HA ALA 10 HA ALA 10 15.433 1.371 3.116 69 HB1 ALA 10 1HB ALA 10 14.288 -0.163 1.521 70 HB2 ALA 10 2HB ALA 10 12.845 0.841 1.667 71 HB3 ALA 10 3HB ALA 10 14.328 1.522 0.998 72 H LEU 11 H LEU 11 11.897 1.770 3.429 73 HA LEU 11 HA LEU 11 12.009 4.603 3.304 74 HB2 LEU 11 1HB LEU 11 9.916 2.599 4.029 75 HB3 LEU 11 2HB LEU 11 9.636 4.309 4.350 76 HG LEU 11 HG LEU 11 10.198 3.107 1.639 77 HD11 LEU 11 1HD1 LEU 11 7.718 3.629 3.151 78 HD12 LEU 11 2HD1 LEU 11 8.056 2.442 1.891 79 HD13 LEU 11 3HD1 LEU 11 7.725 4.119 1.456 80 HD21 LEU 11 3HD2 LEU 11 10.396 5.776 2.607 81 HD22 LEU 11 1HD2 LEU 11 9.015 5.675 1.514 82 HD23 LEU 11 2HD2 LEU 11 10.615 5.177 0.962 83 H LEU 12 H LEU 12 12.773 2.427 5.757 84 HA LEU 12 HA LEU 12 12.268 4.403 7.870 85 HB2 LEU 12 1HB LEU 12 12.008 1.592 7.753 86 HB3 LEU 12 2HB LEU 12 13.322 1.945 8.873 87 HG LEU 12 HG LEU 12 11.589 3.600 9.924 88 HD11 LEU 12 1HD1 LEU 12 9.361 3.229 9.554 89 HD12 LEU 12 2HD1 LEU 12 9.614 1.580 8.984 90 HD13 LEU 12 3HD1 LEU 12 10.005 2.944 7.937 91 HD21 LEU 12 3HD2 LEU 12 10.674 1.625 11.265 92 HD22 LEU 12 1HD2 LEU 12 12.423 1.851 11.238 93 HD23 LEU 12 2HD2 LEU 12 11.678 0.614 10.225 94 H ALA 13 H ALA 13 14.796 2.440 6.390 95 HA ALA 13 HA ALA 13 16.818 3.829 8.002 96 HB1 ALA 13 1HB ALA 13 18.163 2.020 7.800 97 HB2 ALA 13 2HB ALA 13 16.621 1.204 7.535 98 HB3 ALA 13 3HB ALA 13 17.624 1.663 6.159 99 H ALA 14 H ALA 14 16.487 2.711 4.626 100 HA ALA 14 HA ALA 14 18.462 4.289 3.507 101 HB1 ALA 14 1HB ALA 14 17.611 3.709 1.437 102 HB2 ALA 14 2HB ALA 14 16.993 2.419 2.470 103 HB3 ALA 14 3HB ALA 14 15.938 3.751 1.997 104 H PHE 15 H PHE 15 15.338 5.201 4.652 105 HA PHE 15 HA PHE 15 14.971 7.560 3.142 106 HB2 PHE 15 1HB PHE 15 13.332 6.234 4.716 107 HB3 PHE 15 2HB PHE 15 13.951 7.330 5.946 108 HD1 PHE 15 HD1 PHE 15 12.109 7.118 2.769 109 HD2 PHE 15 HD2 PHE 15 13.316 9.619 5.994 110 HE1 PHE 15 HE1 PHE 15 10.523 8.843 2.019 111 HE2 PHE 15 HE2 PHE 15 11.731 11.348 5.251 112 HZ PHE 15 HZ PHE 15 10.332 10.961 3.261 113 H LYS 16 H LYS 16 16.813 6.828 6.010 114 HA LYS 16 HA LYS 16 17.222 9.507 6.866 115 HB2 LYS 16 1HB LYS 16 18.618 6.902 7.431 116 HB3 LYS 16 2HB LYS 16 19.230 8.422 8.072 117 HG2 LYS 16 1HG LYS 16 17.849 8.197 9.784 118 HG3 LYS 16 2HG LYS 16 16.492 8.380 8.671 119 HD2 LYS 16 1HD LYS 16 15.949 6.344 9.516 120 HD3 LYS 16 2HD LYS 16 17.039 5.802 8.238 121 HE2 LYS 16 1HE LYS 16 17.824 6.295 11.109 122 HE3 LYS 16 2HE LYS 16 17.495 4.714 10.402 123 HZ1 LYS 16 3HZ LYS 16 19.318 5.207 8.790 124 HZ2 LYS 16 1HZ LYS 16 19.827 5.024 10.393 125 HZ3 LYS 16 2HZ LYS 16 19.704 6.569 9.717 126 H VAL 17 H VAL 17 18.369 7.798 4.210 127 HA VAL 17 HA VAL 17 20.986 8.927 4.015 128 HB VAL 17 HB VAL 17 19.716 6.884 2.729 129 HG11 VAL 17 1HG1 VAL 17 18.504 8.596 1.346 130 HG12 VAL 17 2HG1 VAL 17 20.065 9.029 0.644 131 HG13 VAL 17 3HG1 VAL 17 19.420 7.401 0.427 132 HG21 VAL 17 3HG2 VAL 17 21.858 7.556 1.063 133 HG22 VAL 17 1HG2 VAL 17 22.273 8.205 2.649 134 HG23 VAL 17 2HG2 VAL 17 21.891 6.492 2.470 135 H ARG 18 H ARG 18 17.801 9.991 3.194 136 HA ARG 18 HA ARG 18 18.489 11.898 1.215 137 HB2 ARG 18 1HB ARG 18 16.127 10.978 2.463 138 HB3 ARG 18 2HB ARG 18 16.182 12.717 2.720 139 HG2 ARG 18 1HG ARG 18 16.624 11.533 0.004 140 HG3 ARG 18 2HG ARG 18 15.001 11.834 0.629 141 HD2 ARG 18 1HD ARG 18 16.381 14.181 1.154 142 HD3 ARG 18 2HD ARG 18 16.956 13.690 -0.439 143 HE ARG 18 HE ARG 18 14.228 13.440 -0.551 144 HH11 ARG 18 1HH1 ARG 18 16.476 16.006 0.141 145 HH12 ARG 18 2HH1 ARG 18 15.437 17.255 -0.459 146 HH21 ARG 18 1HH2 ARG 18 12.850 15.075 -1.344 147 HH22 ARG 18 2HH2 ARG 18 13.374 16.725 -1.302 148 HA PRO 19 HA PRO 19 18.371 15.120 4.813 149 HB2 PRO 19 1HB PRO 19 18.293 14.154 7.349 150 HB3 PRO 19 2HB PRO 19 16.838 14.502 6.409 151 HG2 PRO 19 1HG PRO 19 18.200 11.880 6.891 152 HG3 PRO 19 2HG PRO 19 16.468 12.262 6.914 153 HD2 PRO 19 1HD PRO 19 17.671 11.082 4.795 154 HD3 PRO 19 2HD PRO 19 16.292 12.185 4.617 155 H THR 20 H THR 20 20.228 12.286 4.687 156 HA THR 20 HA THR 20 22.252 12.647 6.522 157 HB THR 20 HB THR 20 22.382 11.564 3.708 158 HG1 THR 20 HG1 THR 20 22.299 10.374 6.297 159 HG21 THR 20 3HG2 THR 20 24.541 10.481 4.632 160 HG22 THR 20 1HG2 THR 20 24.528 11.810 5.789 161 HG23 THR 20 2HG2 THR 20 24.612 12.147 4.060 162 H PHE 21 H PHE 21 21.636 14.402 3.574 163 HA PHE 21 HA PHE 21 24.171 15.587 3.246 164 HB2 PHE 21 1HB PHE 21 21.806 15.609 1.844 165 HB3 PHE 21 2HB PHE 21 21.897 17.259 2.450 166 HD1 PHE 21 HD2 PHE 21 24.381 14.815 1.107 167 HD2 PHE 21 HD1 PHE 21 22.687 18.713 0.874 168 HE1 PHE 21 HE2 PHE 21 25.953 15.386 -0.698 169 HE2 PHE 21 HE1 PHE 21 24.256 19.290 -0.932 170 HZ PHE 21 HZ PHE 21 25.892 17.627 -1.719 171 H ALA 22 H ALA 22 21.213 16.831 4.792 172 HA ALA 22 HA ALA 22 22.520 19.183 5.776 173 HB1 ALA 22 1HB ALA 22 20.088 19.042 5.230 174 HB2 ALA 22 2HB ALA 22 19.878 18.044 6.670 175 HB3 ALA 22 3HB ALA 22 20.440 19.709 6.824 176 H ALA 23 H ALA 23 21.830 15.990 7.021 177 HA ALA 23 HA ALA 23 22.206 16.470 9.757 178 HB1 ALA 23 1HB ALA 23 23.016 13.910 8.418 179 HB2 ALA 23 2HB ALA 23 22.329 14.151 10.025 180 HB3 ALA 23 3HB ALA 23 21.322 14.368 8.593 181 H GLY 24 H GLY 24 24.525 15.577 7.219 182 HA2 GLY 24 1HA GLY 24 26.694 16.232 9.118 183 HA3 GLY 24 2HA GLY 24 26.841 15.007 7.867 184 H LEU 25 H LEU 25 25.228 18.028 7.242 185 HA LEU 25 HA LEU 25 26.684 18.630 4.960 186 HB2 LEU 25 1HB LEU 25 25.553 20.653 4.898 187 HB3 LEU 25 2HB LEU 25 24.469 19.601 5.806 188 HG LEU 25 HG LEU 25 25.781 20.720 7.851 189 HD11 LEU 25 1HD1 LEU 25 26.063 22.601 5.546 190 HD12 LEU 25 2HD1 LEU 25 27.227 22.186 6.804 191 HD13 LEU 25 3HD1 LEU 25 25.851 23.222 7.183 192 HD21 LEU 25 3HD2 LEU 25 23.802 22.609 7.118 193 HD22 LEU 25 1HD2 LEU 25 23.676 21.277 8.266 194 HD23 LEU 25 2HD2 LEU 25 23.260 21.022 6.571 195 H LEU 26 H LEU 26 27.398 19.290 8.299 196 HA LEU 26 HA LEU 26 29.306 21.330 7.951 197 HB2 LEU 26 1HB LEU 26 28.550 19.441 10.084 198 HB3 LEU 26 2HB LEU 26 30.193 20.074 10.168 199 HG LEU 26 HG LEU 26 29.277 22.367 10.182 200 HD11 LEU 26 1HD1 LEU 26 26.986 22.827 10.298 201 HD12 LEU 26 2HD1 LEU 26 26.570 21.140 10.598 202 HD13 LEU 26 3HD1 LEU 26 27.134 21.639 9.003 203 HD21 LEU 26 3HD2 LEU 26 29.641 21.924 12.350 204 HD22 LEU 26 1HD2 LEU 26 28.854 20.348 12.263 205 HD23 LEU 26 2HD2 LEU 26 27.884 21.808 12.455 206 H LEU 27 H LEU 27 29.445 17.909 7.462 207 HA LEU 27 HA LEU 27 32.255 17.581 7.637 208 HB2 LEU 27 1HB LEU 27 30.750 15.692 7.785 209 HB3 LEU 27 2HB LEU 27 30.169 15.993 6.148 210 HG LEU 27 HG LEU 27 32.575 15.538 5.405 211 HD11 LEU 27 1HD1 LEU 27 34.090 15.203 6.989 212 HD12 LEU 27 2HD1 LEU 27 33.244 13.722 7.434 213 HD13 LEU 27 3HD1 LEU 27 32.851 15.239 8.243 214 HD21 LEU 27 3HD2 LEU 27 31.178 13.875 4.734 215 HD22 LEU 27 1HD2 LEU 27 30.546 13.597 6.357 216 HD23 LEU 27 2HD2 LEU 27 32.131 12.966 5.908 217 H ARG 28 H ARG 28 33.596 18.752 6.418 218 HA ARG 28 HA ARG 28 32.932 19.157 3.582 219 HB2 ARG 28 1HB ARG 28 34.329 20.782 5.613 220 HB3 ARG 28 2HB ARG 28 35.056 20.792 4.012 221 HG2 ARG 28 1HG ARG 28 32.580 21.260 3.255 222 HG3 ARG 28 2HG ARG 28 32.429 21.847 4.912 223 HD2 ARG 28 1HD ARG 28 33.049 23.751 3.738 224 HD3 ARG 28 2HD ARG 28 34.579 23.175 4.398 225 HE ARG 28 HE ARG 28 35.316 22.843 2.265 226 HH11 ARG 28 1HH1 ARG 28 31.840 23.027 2.231 227 HH12 ARG 28 2HH1 ARG 28 31.725 22.989 0.502 228 HH21 ARG 28 1HH2 ARG 28 35.178 22.792 -0.011 229 HH22 ARG 28 2HH2 ARG 28 33.624 22.855 -0.772 Start of MODEL 6 1 H1 ASP 1 H ASP 1 2.665 -6.558 5.187 2 HA ASP 1 HA ASP 1 0.651 -6.565 3.054 3 HB2 ASP 1 1HB ASP 1 2.046 -4.482 4.181 4 HB3 ASP 1 2HB ASP 1 2.974 -4.805 2.718 5 H ILE 2 H ILE 2 1.689 -6.345 0.784 6 HA ILE 2 HA ILE 2 2.847 -8.740 0.069 7 HB ILE 2 HB ILE 2 1.797 -7.275 -1.567 8 HG12 ILE 2 1HG1 ILE 2 4.696 -7.622 -2.337 9 HG13 ILE 2 2HG1 ILE 2 3.572 -8.971 -2.219 10 HG21 ILE 2 1HG2 ILE 2 4.233 -5.521 -1.511 11 HG22 ILE 2 2HG2 ILE 2 2.675 -5.222 -2.279 12 HG23 ILE 2 3HG2 ILE 2 2.813 -5.179 -0.522 13 HD11 ILE 2 3HD1 ILE 2 3.129 -8.595 -4.358 14 HD12 ILE 2 1HD1 ILE 2 2.242 -7.170 -3.819 15 HD13 ILE 2 2HD1 ILE 2 3.924 -7.022 -4.329 16 H GLY 3 H GLY 3 4.415 -5.729 1.004 17 HA2 GLY 3 1HA GLY 3 6.871 -7.162 1.535 18 HA3 GLY 3 2HA GLY 3 6.986 -5.999 0.223 19 H MET 4 H MET 4 5.938 -6.260 3.613 20 HA MET 4 HA MET 4 6.277 -3.424 4.030 21 HB2 MET 4 1HB MET 4 4.856 -5.488 5.304 22 HB3 MET 4 2HB MET 4 6.050 -4.942 6.474 23 HG2 MET 4 1HG MET 4 5.236 -2.700 6.362 24 HG3 MET 4 2HG MET 4 4.171 -3.102 5.017 25 HE1 MET 4 3HE MET 4 4.016 -2.943 9.160 26 HE2 MET 4 1HE MET 4 4.057 -1.758 7.854 27 HE3 MET 4 2HE MET 4 2.518 -2.209 8.587 28 H GLY 5 H GLY 5 8.267 -6.171 4.119 29 HA2 GLY 5 1HA GLY 5 10.066 -5.293 6.176 30 HA3 GLY 5 2HA GLY 5 10.347 -6.596 5.030 31 H VAL 6 H VAL 6 9.644 -4.509 2.867 32 HA VAL 6 HA VAL 6 12.384 -3.686 2.439 33 HB VAL 6 HB VAL 6 10.794 -4.570 0.635 34 HG11 VAL 6 1HG1 VAL 6 9.916 -1.735 0.323 35 HG12 VAL 6 2HG1 VAL 6 9.177 -3.216 -0.290 36 HG13 VAL 6 3HG1 VAL 6 9.036 -2.801 1.419 37 HG21 VAL 6 3HG2 VAL 6 12.052 -1.963 -0.136 38 HG22 VAL 6 1HG2 VAL 6 13.044 -3.327 0.379 39 HG23 VAL 6 2HG2 VAL 6 11.996 -3.482 -1.031 40 H THR 7 H THR 7 9.336 -2.231 3.332 41 HA THR 7 HA THR 7 10.243 0.475 2.962 42 HB THR 7 HB THR 7 7.905 0.167 2.715 43 HG1 THR 7 HG1 THR 7 7.159 1.665 4.184 44 HG21 THR 7 3HG2 THR 7 8.016 -1.205 5.396 45 HG22 THR 7 1HG2 THR 7 7.530 -1.895 3.848 46 HG23 THR 7 2HG2 THR 7 6.511 -0.690 4.635 47 H TYR 8 H TYR 8 9.886 -1.763 5.664 48 HA TYR 8 HA TYR 8 10.509 0.143 7.686 49 HB2 TYR 8 1HB TYR 8 9.271 -2.018 8.050 50 HB3 TYR 8 2HB TYR 8 10.803 -2.861 7.850 51 HD1 TYR 8 HD1 TYR 8 12.566 -2.655 9.543 52 HD2 TYR 8 HD2 TYR 8 8.778 -0.786 10.062 53 HE1 TYR 8 HE1 TYR 8 13.054 -2.342 11.933 54 HE2 TYR 8 HE2 TYR 8 9.257 -0.467 12.453 55 HH TYR 8 HH TYR 8 12.300 -0.765 13.775 56 H LEU 9 H LEU 9 12.382 -1.471 5.379 57 HA LEU 9 HA LEU 9 14.838 -1.077 6.953 58 HB2 LEU 9 1HB LEU 9 13.964 -3.112 5.061 59 HB3 LEU 9 2HB LEU 9 15.560 -2.466 4.685 60 HG LEU 9 HG LEU 9 14.739 -3.737 7.296 61 HD11 LEU 9 1HD1 LEU 9 16.572 -5.380 6.463 62 HD12 LEU 9 2HD1 LEU 9 16.169 -4.736 4.872 63 HD13 LEU 9 3HD1 LEU 9 14.926 -5.520 5.846 64 HD21 LEU 9 3HD2 LEU 9 17.345 -2.565 6.347 65 HD22 LEU 9 1HD2 LEU 9 17.209 -3.650 7.730 66 HD23 LEU 9 2HD2 LEU 9 16.391 -2.088 7.751 67 H ALA 10 H ALA 10 13.141 -0.201 4.047 68 HA ALA 10 HA ALA 10 15.437 1.369 3.112 69 HB1 ALA 10 1HB ALA 10 14.334 1.518 0.993 70 HB2 ALA 10 2HB ALA 10 14.292 -0.166 1.518 71 HB3 ALA 10 3HB ALA 10 12.850 0.838 1.662 72 H LEU 11 H LEU 11 11.903 1.766 3.439 73 HA LEU 11 HA LEU 11 12.020 4.603 3.307 74 HB2 LEU 11 1HB LEU 11 9.919 2.604 4.024 75 HB3 LEU 11 2HB LEU 11 9.642 4.316 4.336 76 HG LEU 11 HG LEU 11 10.215 3.100 1.633 77 HD11 LEU 11 1HD1 LEU 11 7.768 4.042 1.361 78 HD12 LEU 11 2HD1 LEU 11 7.709 3.739 3.097 79 HD13 LEU 11 3HD1 LEU 11 8.067 2.419 1.983 80 HD21 LEU 11 3HD2 LEU 11 10.849 5.199 1.169 81 HD22 LEU 11 1HD2 LEU 11 10.129 5.848 2.643 82 HD23 LEU 11 2HD2 LEU 11 9.123 5.563 1.222 83 H LEU 12 H LEU 12 12.778 2.426 5.757 84 HA LEU 12 HA LEU 12 12.264 4.399 7.872 85 HB2 LEU 12 1HB LEU 12 11.993 1.590 7.751 86 HB3 LEU 12 2HB LEU 12 13.305 1.935 8.876 87 HG LEU 12 HG LEU 12 11.272 1.724 10.117 88 HD11 LEU 12 1HD1 LEU 12 11.505 4.678 10.055 89 HD12 LEU 12 2HD1 LEU 12 12.958 3.751 10.423 90 HD13 LEU 12 3HD1 LEU 12 11.518 3.566 11.424 91 HD21 LEU 12 3HD2 LEU 12 9.737 3.941 9.246 92 HD22 LEU 12 1HD2 LEU 12 9.308 2.230 9.225 93 HD23 LEU 12 2HD2 LEU 12 10.113 2.955 7.832 94 H ALA 13 H ALA 13 14.791 2.453 6.376 95 HA ALA 13 HA ALA 13 16.811 3.827 8.007 96 HB1 ALA 13 1HB ALA 13 18.143 2.010 7.821 97 HB2 ALA 13 2HB ALA 13 16.606 1.199 7.522 98 HB3 ALA 13 3HB ALA 13 17.633 1.668 6.167 99 H ALA 14 H ALA 14 16.474 2.720 4.628 100 HA ALA 14 HA ALA 14 18.461 4.302 3.522 101 HB1 ALA 14 1HB ALA 14 17.004 2.419 2.481 102 HB2 ALA 14 2HB ALA 14 15.957 3.750 1.987 103 HB3 ALA 14 3HB ALA 14 17.636 3.703 1.450 104 H PHE 15 H PHE 15 15.340 5.202 4.667 105 HA PHE 15 HA PHE 15 14.971 7.558 3.141 106 HB2 PHE 15 1HB PHE 15 13.327 6.207 4.708 107 HB3 PHE 15 2HB PHE 15 13.904 7.342 5.924 108 HD1 PHE 15 HD1 PHE 15 12.328 7.149 2.574 109 HD2 PHE 15 HD2 PHE 15 13.019 9.493 6.058 110 HE1 PHE 15 HE1 PHE 15 10.722 8.826 1.759 111 HE2 PHE 15 HE2 PHE 15 11.414 11.174 5.250 112 HZ PHE 15 HZ PHE 15 10.263 10.841 3.099 113 H LYS 16 H LYS 16 16.867 6.809 5.941 114 HA LYS 16 HA LYS 16 17.221 9.501 6.836 115 HB2 LYS 16 1HB LYS 16 18.601 6.897 7.437 116 HB3 LYS 16 2HB LYS 16 19.207 8.418 8.079 117 HG2 LYS 16 1HG LYS 16 17.793 8.225 9.766 118 HG3 LYS 16 2HG LYS 16 16.452 8.372 8.627 119 HD2 LYS 16 1HD LYS 16 15.926 6.347 9.522 120 HD3 LYS 16 2HD LYS 16 17.014 5.798 8.246 121 HE2 LYS 16 1HE LYS 16 18.129 6.492 10.926 122 HE3 LYS 16 2HE LYS 16 17.304 4.949 10.708 123 HZ1 LYS 16 3HZ LYS 16 19.603 5.900 9.085 124 HZ2 LYS 16 1HZ LYS 16 18.832 4.401 8.938 125 HZ3 LYS 16 2HZ LYS 16 19.697 4.773 10.343 126 H VAL 17 H VAL 17 17.710 10.354 4.645 127 HA VAL 17 HA VAL 17 20.574 10.051 4.012 128 HB VAL 17 HB VAL 17 19.329 11.198 1.780 129 HG11 VAL 17 1HG1 VAL 17 20.251 9.407 0.632 130 HG12 VAL 17 2HG1 VAL 17 21.247 9.485 2.087 131 HG13 VAL 17 3HG1 VAL 17 19.965 8.280 1.958 132 HG21 VAL 17 3HG2 VAL 17 17.594 9.586 1.187 133 HG22 VAL 17 1HG2 VAL 17 17.771 8.808 2.761 134 HG23 VAL 17 2HG2 VAL 17 17.166 10.462 2.657 135 H ARG 18 H ARG 18 18.078 12.166 4.961 136 HA ARG 18 HA ARG 18 19.062 14.609 3.942 137 HB2 ARG 18 1HB ARG 18 16.903 14.848 4.676 138 HB3 ARG 18 2HB ARG 18 17.146 13.801 6.068 139 HG2 ARG 18 1HG ARG 18 16.747 16.100 6.748 140 HG3 ARG 18 2HG ARG 18 18.368 15.574 7.204 141 HD2 ARG 18 1HD ARG 18 19.161 17.375 6.169 142 HD3 ARG 18 2HD ARG 18 18.640 16.656 4.646 143 HE ARG 18 HE ARG 18 16.872 18.126 4.584 144 HH11 ARG 18 1HH1 ARG 18 18.379 18.230 7.720 145 HH12 ARG 18 2HH1 ARG 18 17.503 19.632 8.239 146 HH21 ARG 18 1HH2 ARG 18 15.711 19.971 5.255 147 HH22 ARG 18 2HH2 ARG 18 15.985 20.621 6.837 148 HA PRO 19 HA PRO 19 21.198 15.142 8.247 149 HB2 PRO 19 1HB PRO 19 21.334 12.950 9.843 150 HB3 PRO 19 2HB PRO 19 19.986 14.092 9.893 151 HG2 PRO 19 1HG PRO 19 20.170 11.439 8.519 152 HG3 PRO 19 2HG PRO 19 18.831 12.121 9.460 153 HD2 PRO 19 1HD PRO 19 18.860 12.125 6.753 154 HD3 PRO 19 2HD PRO 19 18.086 13.411 7.701 155 H THR 20 H THR 20 21.575 12.554 6.088 156 HA THR 20 HA THR 20 24.072 11.518 6.899 157 HB THR 20 HB THR 20 22.880 11.636 4.121 158 HG1 THR 20 HG1 THR 20 22.802 9.643 6.160 159 HG21 THR 20 3HG2 THR 20 25.135 11.144 3.771 160 HG22 THR 20 1HG2 THR 20 24.384 9.552 3.874 161 HG23 THR 20 2HG2 THR 20 25.260 10.205 5.259 162 H PHE 21 H PHE 21 23.169 14.414 5.235 163 HA PHE 21 HA PHE 21 25.710 14.926 4.034 164 HB2 PHE 21 1HB PHE 21 23.175 16.000 3.788 165 HB3 PHE 21 2HB PHE 21 24.076 17.284 4.587 166 HD1 PHE 21 HD1 PHE 21 24.153 15.019 1.649 167 HD2 PHE 21 HD2 PHE 21 25.474 18.684 3.365 168 HE1 PHE 21 HE1 PHE 21 25.116 15.682 -0.516 169 HE2 PHE 21 HE2 PHE 21 26.438 19.353 1.203 170 HZ PHE 21 HZ PHE 21 26.259 17.852 -0.742 171 H ALA 22 H ALA 22 24.046 16.206 6.906 172 HA ALA 22 HA ALA 22 26.307 17.757 7.738 173 HB1 ALA 22 1HB ALA 22 24.741 18.772 8.933 174 HB2 ALA 22 2HB ALA 22 23.570 17.541 8.460 175 HB3 ALA 22 3HB ALA 22 24.543 17.320 9.914 176 H ALA 23 H ALA 23 24.996 14.591 8.521 177 HA ALA 23 HA ALA 23 26.490 14.047 10.824 178 HB1 ALA 23 1HB ALA 23 24.577 12.697 10.032 179 HB2 ALA 23 2HB ALA 23 25.595 12.061 8.739 180 HB3 ALA 23 3HB ALA 23 25.994 11.722 10.424 181 H GLY 24 H GLY 24 27.247 13.508 7.399 182 HA2 GLY 24 1HA GLY 24 30.021 12.889 8.211 183 HA3 GLY 24 2HA GLY 24 29.249 12.214 6.783 184 H LEU 25 H LEU 25 28.755 15.546 7.638 185 HA LEU 25 HA LEU 25 29.467 16.557 5.157 186 HB2 LEU 25 1HB LEU 25 29.201 18.676 6.060 187 HB3 LEU 25 2HB LEU 25 28.186 17.661 7.082 188 HG LEU 25 HG LEU 25 30.408 17.622 8.556 189 HD11 LEU 25 1HD1 LEU 25 31.877 18.942 7.365 190 HD12 LEU 25 2HD1 LEU 25 31.179 20.103 8.494 191 HD13 LEU 25 3HD1 LEU 25 30.613 20.048 6.825 192 HD21 LEU 25 3HD2 LEU 25 27.976 19.228 8.494 193 HD22 LEU 25 1HD2 LEU 25 29.296 19.993 9.380 194 HD23 LEU 25 2HD2 LEU 25 28.744 18.382 9.838 195 H LEU 26 H LEU 26 31.456 15.792 7.907 196 HA LEU 26 HA LEU 26 33.737 17.300 7.241 197 HB2 LEU 26 1HB LEU 26 33.120 15.003 8.987 198 HB3 LEU 26 2HB LEU 26 34.804 15.166 8.495 199 HG LEU 26 HG LEU 26 34.849 17.430 9.453 200 HD11 LEU 26 1HD1 LEU 26 32.664 17.520 11.133 201 HD12 LEU 26 2HD1 LEU 26 31.987 16.974 9.600 202 HD13 LEU 26 3HD1 LEU 26 32.900 18.481 9.673 203 HD21 LEU 26 3HD2 LEU 26 35.220 16.714 11.595 204 HD22 LEU 26 1HD2 LEU 26 35.211 15.168 10.748 205 HD23 LEU 26 2HD2 LEU 26 33.777 15.700 11.626 206 H LEU 27 H LEU 27 32.450 14.350 5.971 207 HA LEU 27 HA LEU 27 34.892 13.470 4.740 208 HB2 LEU 27 1HB LEU 27 32.866 12.055 5.438 209 HB3 LEU 27 2HB LEU 27 32.131 12.614 3.936 210 HG LEU 27 HG LEU 27 34.143 11.632 2.747 211 HD11 LEU 27 1HD1 LEU 27 34.540 10.352 5.447 212 HD12 LEU 27 2HD1 LEU 27 35.646 11.461 4.636 213 HD13 LEU 27 3HD1 LEU 27 35.345 9.861 3.956 214 HD21 LEU 27 3HD2 LEU 27 32.004 10.540 2.658 215 HD22 LEU 27 1HD2 LEU 27 32.248 9.839 4.258 216 HD23 LEU 27 2HD2 LEU 27 33.253 9.319 2.906 217 H ARG 28 H ARG 28 35.768 14.681 3.186 218 HA ARG 28 HA ARG 28 34.182 16.305 1.424 219 HB2 ARG 28 1HB ARG 28 36.704 16.537 2.335 220 HB3 ARG 28 2HB ARG 28 37.028 15.775 0.784 221 HG2 ARG 28 1HG ARG 28 36.093 17.561 -0.415 222 HG3 ARG 28 2HG ARG 28 35.303 18.217 1.021 223 HD2 ARG 28 1HD ARG 28 38.277 17.974 0.961 224 HD3 ARG 28 2HD ARG 28 37.501 19.298 0.094 225 HE ARG 28 HE ARG 28 36.380 19.432 2.550 226 HH11 ARG 28 1HH1 ARG 28 39.673 19.307 1.429 227 HH12 ARG 28 2HH1 ARG 28 40.298 20.229 2.756 228 HH21 ARG 28 1HH2 ARG 28 37.190 20.646 4.303 229 HH22 ARG 28 2HH2 ARG 28 38.884 20.989 4.391 Start of MODEL 7 1 H1 ASP 1 H ASP 1 2.611 -6.439 5.335 2 HA ASP 1 HA ASP 1 0.582 -6.460 3.214 3 HB2 ASP 1 1HB ASP 1 2.010 -4.370 4.292 4 HB3 ASP 1 2HB ASP 1 2.918 -4.730 2.826 5 H ILE 2 H ILE 2 1.620 -6.290 0.935 6 HA ILE 2 HA ILE 2 2.746 -8.712 0.262 7 HB ILE 2 HB ILE 2 3.070 -6.110 -1.237 8 HG12 ILE 2 1HG1 ILE 2 1.125 -7.949 -2.314 9 HG13 ILE 2 2HG1 ILE 2 0.748 -7.585 -0.633 10 HG21 ILE 2 1HG2 ILE 2 3.305 -8.961 -2.193 11 HG22 ILE 2 2HG2 ILE 2 3.383 -7.523 -3.210 12 HG23 ILE 2 3HG2 ILE 2 4.633 -7.816 -2.001 13 HD11 ILE 2 3HD1 ILE 2 -0.273 -5.777 -1.409 14 HD12 ILE 2 1HD1 ILE 2 1.337 -5.119 -1.700 15 HD13 ILE 2 2HD1 ILE 2 0.472 -5.940 -2.999 16 H GLY 3 H GLY 3 4.367 -5.679 1.062 17 HA2 GLY 3 1HA GLY 3 6.804 -7.144 1.638 18 HA3 GLY 3 2HA GLY 3 6.925 -6.000 0.309 19 H MET 4 H MET 4 5.891 -6.203 3.707 20 HA MET 4 HA MET 4 6.263 -3.365 4.084 21 HB2 MET 4 1HB MET 4 4.827 -5.397 5.394 22 HB3 MET 4 2HB MET 4 6.033 -4.846 6.549 23 HG2 MET 4 1HG MET 4 5.025 -2.505 5.493 24 HG3 MET 4 2HG MET 4 3.614 -3.552 5.623 25 HE1 MET 4 3HE MET 4 3.111 -1.221 8.360 26 HE2 MET 4 1HE MET 4 4.786 -0.703 8.159 27 HE3 MET 4 2HE MET 4 3.784 -1.017 6.742 28 H GLY 5 H GLY 5 8.224 -6.133 4.201 29 HA2 GLY 5 1HA GLY 5 10.044 -5.245 6.235 30 HA3 GLY 5 2HA GLY 5 10.305 -6.566 5.107 31 H VAL 6 H VAL 6 9.611 -4.500 2.920 32 HA VAL 6 HA VAL 6 12.357 -3.713 2.465 33 HB VAL 6 HB VAL 6 10.748 -4.606 0.682 34 HG11 VAL 6 1HG1 VAL 6 9.899 -1.765 0.335 35 HG12 VAL 6 2HG1 VAL 6 9.142 -3.246 -0.254 36 HG13 VAL 6 3HG1 VAL 6 9.014 -2.807 1.449 37 HG21 VAL 6 3HG2 VAL 6 11.961 -3.563 -1.001 38 HG22 VAL 6 1HG2 VAL 6 12.022 -2.025 -0.141 39 HG23 VAL 6 2HG2 VAL 6 13.011 -3.380 0.403 40 H THR 7 H THR 7 9.329 -2.214 3.354 41 HA THR 7 HA THR 7 10.262 0.477 2.942 42 HB THR 7 HB THR 7 7.920 0.190 2.710 43 HG1 THR 7 HG1 THR 7 8.080 1.278 5.317 44 HG21 THR 7 3HG2 THR 7 7.529 -1.851 3.872 45 HG22 THR 7 1HG2 THR 7 6.527 -0.626 4.650 46 HG23 THR 7 2HG2 THR 7 8.031 -1.148 5.409 47 H TYR 8 H TYR 8 9.899 -1.721 5.675 48 HA TYR 8 HA TYR 8 10.552 0.208 7.668 49 HB2 TYR 8 1HB TYR 8 9.292 -1.934 8.068 50 HB3 TYR 8 2HB TYR 8 10.815 -2.796 7.875 51 HD1 TYR 8 HD1 TYR 8 12.585 -2.585 9.557 52 HD2 TYR 8 HD2 TYR 8 8.822 -0.665 10.062 53 HE1 TYR 8 HE1 TYR 8 13.087 -2.242 11.940 54 HE2 TYR 8 HE2 TYR 8 9.314 -0.315 12.447 55 HH TYR 8 HH TYR 8 12.137 -1.726 13.966 56 H LEU 9 H LEU 9 12.395 -1.455 5.372 57 HA LEU 9 HA LEU 9 14.863 -1.068 6.928 58 HB2 LEU 9 1HB LEU 9 13.957 -3.121 5.070 59 HB3 LEU 9 2HB LEU 9 15.559 -2.499 4.678 60 HG LEU 9 HG LEU 9 14.733 -3.722 7.311 61 HD11 LEU 9 1HD1 LEU 9 16.851 -5.046 5.882 62 HD12 LEU 9 2HD1 LEU 9 15.390 -4.959 4.899 63 HD13 LEU 9 3HD1 LEU 9 15.332 -5.697 6.500 64 HD21 LEU 9 3HD2 LEU 9 16.412 -2.325 7.973 65 HD22 LEU 9 1HD2 LEU 9 17.178 -2.309 6.385 66 HD23 LEU 9 2HD2 LEU 9 17.372 -3.707 7.443 67 H ALA 10 H ALA 10 13.158 -0.213 4.021 68 HA ALA 10 HA ALA 10 15.467 1.317 3.050 69 HB1 ALA 10 1HB ALA 10 14.298 -0.234 1.487 70 HB2 ALA 10 2HB ALA 10 12.869 0.792 1.618 71 HB3 ALA 10 3HB ALA 10 14.359 1.440 0.933 72 H LEU 11 H LEU 11 11.940 1.751 3.400 73 HA LEU 11 HA LEU 11 12.086 4.586 3.221 74 HB2 LEU 11 1HB LEU 11 9.965 2.620 3.973 75 HB3 LEU 11 2HB LEU 11 9.707 4.340 4.256 76 HG LEU 11 HG LEU 11 10.267 3.078 1.573 77 HD11 LEU 11 1HD1 LEU 11 7.801 3.560 3.084 78 HD12 LEU 11 2HD1 LEU 11 8.117 2.463 1.740 79 HD13 LEU 11 3HD1 LEU 11 7.785 4.166 1.427 80 HD21 LEU 11 3HD2 LEU 11 9.746 5.902 2.455 81 HD22 LEU 11 1HD2 LEU 11 9.462 5.365 0.800 82 HD23 LEU 11 2HD2 LEU 11 11.084 5.279 1.488 83 H LEU 12 H LEU 12 12.830 2.436 5.697 84 HA LEU 12 HA LEU 12 12.343 4.443 7.786 85 HB2 LEU 12 1HB LEU 12 12.041 1.635 7.704 86 HB3 LEU 12 2HB LEU 12 13.355 1.983 8.825 87 HG LEU 12 HG LEU 12 11.599 3.703 9.799 88 HD11 LEU 12 1HD1 LEU 12 10.044 2.743 7.841 89 HD12 LEU 12 2HD1 LEU 12 9.412 3.333 9.378 90 HD13 LEU 12 3HD1 LEU 12 9.638 1.603 9.124 91 HD21 LEU 12 3HD2 LEU 12 11.896 0.766 10.274 92 HD22 LEU 12 1HD2 LEU 12 10.726 1.702 11.205 93 HD23 LEU 12 2HD2 LEU 12 12.438 2.123 11.263 94 H ALA 13 H ALA 13 14.843 2.424 6.336 95 HA ALA 13 HA ALA 13 16.884 3.790 7.942 96 HB1 ALA 13 1HB ALA 13 17.665 1.615 6.099 97 HB2 ALA 13 2HB ALA 13 18.198 1.958 7.746 98 HB3 ALA 13 3HB ALA 13 16.647 1.167 7.468 99 H ALA 14 H ALA 14 16.481 2.708 4.561 100 HA ALA 14 HA ALA 14 18.498 4.283 3.462 101 HB1 ALA 14 1HB ALA 14 17.043 2.374 2.435 102 HB2 ALA 14 2HB ALA 14 16.026 3.710 1.892 103 HB3 ALA 14 3HB ALA 14 17.717 3.631 1.398 104 H PHE 15 H PHE 15 15.412 5.181 4.646 105 HA PHE 15 HA PHE 15 15.128 7.572 3.081 106 HB2 PHE 15 1HB PHE 15 13.357 6.099 4.461 107 HB3 PHE 15 2HB PHE 15 13.712 7.320 5.678 108 HD1 PHE 15 HD1 PHE 15 12.709 6.955 2.116 109 HD2 PHE 15 HD2 PHE 15 12.605 9.351 5.633 110 HE1 PHE 15 HE1 PHE 15 11.146 8.501 1.012 111 HE2 PHE 15 HE2 PHE 15 11.041 10.900 4.535 112 HZ PHE 15 HZ PHE 15 10.308 10.476 2.222 113 H LYS 16 H LYS 16 16.774 6.682 5.967 114 HA LYS 16 HA LYS 16 16.889 9.156 7.288 115 HB2 LYS 16 1HB LYS 16 18.735 6.775 7.255 116 HB3 LYS 16 2HB LYS 16 19.071 8.197 8.235 117 HG2 LYS 16 1HG LYS 16 17.396 7.756 9.704 118 HG3 LYS 16 2HG LYS 16 16.388 6.965 8.490 119 HD2 LYS 16 1HD LYS 16 17.045 5.186 9.818 120 HD3 LYS 16 2HD LYS 16 18.238 5.141 8.518 121 HE2 LYS 16 1HE LYS 16 19.583 6.713 10.136 122 HE3 LYS 16 2HE LYS 16 18.549 5.983 11.363 123 HZ1 LYS 16 3HZ LYS 16 19.855 4.172 9.488 124 HZ2 LYS 16 1HZ LYS 16 19.539 3.978 11.139 125 HZ3 LYS 16 2HZ LYS 16 20.846 4.925 10.633 126 H VAL 17 H VAL 17 18.301 8.132 4.366 127 HA VAL 17 HA VAL 17 20.708 9.451 4.213 128 HB VAL 17 HB VAL 17 20.246 9.733 1.771 129 HG11 VAL 17 1HG1 VAL 17 19.634 7.129 1.562 130 HG12 VAL 17 2HG1 VAL 17 21.227 7.714 2.047 131 HG13 VAL 17 3HG1 VAL 17 20.066 7.196 3.270 132 HG21 VAL 17 3HG2 VAL 17 17.945 10.182 1.653 133 HG22 VAL 17 1HG2 VAL 17 18.119 8.558 0.986 134 HG23 VAL 17 2HG2 VAL 17 17.532 8.776 2.635 135 H ARG 18 H ARG 18 17.461 10.789 3.787 136 HA ARG 18 HA ARG 18 17.903 13.269 2.806 137 HB2 ARG 18 1HB ARG 18 15.708 12.298 3.605 138 HB3 ARG 18 2HB ARG 18 16.160 12.806 5.226 139 HG2 ARG 18 1HG ARG 18 16.435 14.984 3.365 140 HG3 ARG 18 2HG ARG 18 14.811 14.296 3.301 141 HD2 ARG 18 1HD ARG 18 16.257 15.311 5.744 142 HD3 ARG 18 2HD ARG 18 14.874 16.059 4.947 143 HE ARG 18 HE ARG 18 14.819 13.901 6.821 144 HH11 ARG 18 1HH1 ARG 18 13.182 15.311 4.091 145 HH12 ARG 18 2HH1 ARG 18 11.637 14.646 4.508 146 HH21 ARG 18 1HH2 ARG 18 12.791 13.019 7.380 147 HH22 ARG 18 2HH2 ARG 18 11.416 13.343 6.379 148 HA PRO 19 HA PRO 19 20.960 14.716 5.801 149 HB2 PRO 19 1HB PRO 19 21.819 16.773 4.251 150 HB3 PRO 19 2HB PRO 19 22.364 15.107 4.024 151 HG2 PRO 19 1HG PRO 19 20.264 16.633 2.532 152 HG3 PRO 19 2HG PRO 19 21.519 15.549 1.903 153 HD2 PRO 19 1HD PRO 19 18.948 14.765 2.231 154 HD3 PRO 19 2HD PRO 19 20.318 13.652 2.421 155 H THR 20 H THR 20 18.302 16.365 4.286 156 HA THR 20 HA THR 20 18.407 18.883 5.404 157 HB THR 20 HB THR 20 15.705 17.774 5.491 158 HG1 THR 20 HG1 THR 20 17.199 17.576 3.068 159 HG21 THR 20 3HG2 THR 20 15.565 20.003 5.164 160 HG22 THR 20 1HG2 THR 20 15.767 19.580 3.464 161 HG23 THR 20 2HG2 THR 20 17.159 20.096 4.416 162 H PHE 21 H PHE 21 17.688 15.847 6.933 163 HA PHE 21 HA PHE 21 16.387 16.843 9.238 164 HB2 PHE 21 1HB PHE 21 16.955 14.341 8.232 165 HB3 PHE 21 2HB PHE 21 17.990 14.427 9.654 166 HD1 PHE 21 HD1 PHE 21 14.492 15.363 8.737 167 HD2 PHE 21 HD2 PHE 21 17.103 13.558 11.572 168 HE1 PHE 21 HE1 PHE 21 12.562 14.825 10.165 169 HE2 PHE 21 HE2 PHE 21 15.178 13.016 13.005 170 HZ PHE 21 HZ PHE 21 12.904 13.648 12.302 171 H ALA 22 H ALA 22 19.771 15.898 8.665 172 HA ALA 22 HA ALA 22 20.626 16.821 11.245 173 HB1 ALA 22 1HB ALA 22 22.555 15.764 10.796 174 HB2 ALA 22 2HB ALA 22 21.651 15.056 9.457 175 HB3 ALA 22 3HB ALA 22 22.680 16.461 9.180 176 H ALA 23 H ALA 23 20.451 18.148 8.023 177 HA ALA 23 HA ALA 23 22.244 20.284 8.291 178 HB1 ALA 23 1HB ALA 23 21.389 19.660 6.132 179 HB2 ALA 23 2HB ALA 23 19.743 20.058 6.624 180 HB3 ALA 23 3HB ALA 23 20.947 21.336 6.459 181 H GLY 24 H GLY 24 18.754 20.107 8.954 182 HA2 GLY 24 1HA GLY 24 19.014 22.659 10.424 183 HA3 GLY 24 2HA GLY 24 17.553 22.170 9.577 184 H LEU 25 H LEU 25 19.403 19.861 11.406 185 HA LEU 25 HA LEU 25 17.283 18.897 12.883 186 HB2 LEU 25 1HB LEU 25 18.817 17.651 14.096 187 HB3 LEU 25 2HB LEU 25 19.639 17.944 12.565 188 HG LEU 25 HG LEU 25 20.635 19.991 13.955 189 HD11 LEU 25 1HD1 LEU 25 21.194 18.802 16.244 190 HD12 LEU 25 2HD1 LEU 25 19.621 18.055 15.967 191 HD13 LEU 25 3HD1 LEU 25 19.760 19.811 16.052 192 HD21 LEU 25 3HD2 LEU 25 21.780 17.262 14.420 193 HD22 LEU 25 1HD2 LEU 25 22.616 18.781 14.099 194 HD23 LEU 25 2HD2 LEU 25 21.738 17.968 12.804 195 H LEU 26 H LEU 26 19.317 21.659 13.500 196 HA LEU 26 HA LEU 26 18.726 22.032 16.227 197 HB2 LEU 26 1HB LEU 26 19.838 23.659 14.032 198 HB3 LEU 26 2HB LEU 26 19.136 24.556 15.377 199 HG LEU 26 HG LEU 26 20.665 23.361 16.916 200 HD11 LEU 26 1HD1 LEU 26 20.940 21.387 15.354 201 HD12 LEU 26 2HD1 LEU 26 22.403 21.974 16.143 202 HD13 LEU 26 3HD1 LEU 26 22.087 22.382 14.457 203 HD21 LEU 26 3HD2 LEU 26 21.154 25.548 15.460 204 HD22 LEU 26 1HD2 LEU 26 22.470 24.526 14.883 205 HD23 LEU 26 2HD2 LEU 26 22.318 24.879 16.605 206 H LEU 27 H LEU 27 16.931 22.670 17.218 207 HA LEU 27 HA LEU 27 14.510 23.094 15.879 208 HB2 LEU 27 1HB LEU 27 15.234 22.613 18.449 209 HB3 LEU 27 2HB LEU 27 14.754 24.306 18.547 210 HG LEU 27 HG LEU 27 12.896 22.373 17.248 211 HD11 LEU 27 1HD1 LEU 27 12.742 22.727 20.198 212 HD12 LEU 27 2HD1 LEU 27 13.853 21.524 19.543 213 HD13 LEU 27 3HD1 LEU 27 12.130 21.422 19.181 214 HD21 LEU 27 3HD2 LEU 27 12.751 25.012 17.675 215 HD22 LEU 27 1HD2 LEU 27 12.046 24.435 19.186 216 HD23 LEU 27 2HD2 LEU 27 11.334 23.961 17.643 217 H ARG 28 H ARG 28 13.397 24.889 15.265 218 HA ARG 28 HA ARG 28 14.786 27.197 14.545 219 HB2 ARG 28 1HB ARG 28 12.488 26.267 13.740 220 HB3 ARG 28 2HB ARG 28 11.829 27.242 15.047 221 HG2 ARG 28 1HG ARG 28 12.969 29.222 14.050 222 HG3 ARG 28 2HG ARG 28 13.413 28.204 12.678 223 HD2 ARG 28 1HD ARG 28 11.474 29.158 11.902 224 HD3 ARG 28 2HD ARG 28 10.851 27.677 12.627 225 HE ARG 28 HE ARG 28 10.850 29.763 14.530 226 HH11 ARG 28 1HH1 ARG 28 9.182 28.679 11.673 227 HH12 ARG 28 2HH1 ARG 28 7.682 29.430 12.105 228 HH21 ARG 28 1HH2 ARG 28 8.881 30.757 15.110 229 HH22 ARG 28 2HH2 ARG 28 7.512 30.613 14.060 Start of MODEL 8 1 H1 ASP 1 H ASP 1 2.988 -7.172 5.136 2 HA ASP 1 HA ASP 1 0.785 -7.409 3.221 3 HB2 ASP 1 1HB ASP 1 1.880 -5.198 4.382 4 HB3 ASP 1 2HB ASP 1 2.755 -5.246 2.854 5 H ILE 2 H ILE 2 1.704 -6.556 0.909 6 HA ILE 2 HA ILE 2 2.943 -8.712 -0.278 7 HB ILE 2 HB ILE 2 1.768 -7.053 -1.595 8 HG12 ILE 2 1HG1 ILE 2 4.679 -7.094 -2.414 9 HG13 ILE 2 2HG1 ILE 2 3.569 -8.441 -2.643 10 HG21 ILE 2 1HG2 ILE 2 2.507 -5.092 -0.255 11 HG22 ILE 2 2HG2 ILE 2 4.069 -5.182 -1.066 12 HG23 ILE 2 3HG2 ILE 2 2.611 -4.843 -1.998 13 HD11 ILE 2 3HD1 ILE 2 2.340 -6.157 -3.744 14 HD12 ILE 2 1HD1 ILE 2 4.011 -6.182 -4.308 15 HD13 ILE 2 2HD1 ILE 2 2.966 -7.577 -4.581 16 H GLY 3 H GLY 3 4.408 -5.823 1.117 17 HA2 GLY 3 1HA GLY 3 6.904 -7.165 1.493 18 HA3 GLY 3 2HA GLY 3 6.991 -5.996 0.184 19 H MET 4 H MET 4 5.938 -6.266 3.573 20 HA MET 4 HA MET 4 6.276 -3.431 3.995 21 HB2 MET 4 1HB MET 4 4.825 -5.469 5.245 22 HB3 MET 4 2HB MET 4 6.040 -4.993 6.424 23 HG2 MET 4 1HG MET 4 4.031 -3.724 6.771 24 HG3 MET 4 2HG MET 4 5.314 -2.659 6.205 25 HE1 MET 4 3HE MET 4 3.575 -0.965 5.954 26 HE2 MET 4 1HE MET 4 2.551 -0.768 4.531 27 HE3 MET 4 2HE MET 4 1.990 -1.737 5.893 28 H GLY 5 H GLY 5 8.269 -6.176 4.089 29 HA2 GLY 5 1HA GLY 5 10.059 -5.302 6.154 30 HA3 GLY 5 2HA GLY 5 10.349 -6.596 5.001 31 H VAL 6 H VAL 6 9.661 -4.527 2.833 32 HA VAL 6 HA VAL 6 12.395 -3.684 2.424 33 HB VAL 6 HB VAL 6 10.805 -4.557 0.612 34 HG11 VAL 6 1HG1 VAL 6 9.937 -1.715 0.324 35 HG12 VAL 6 2HG1 VAL 6 9.203 -3.185 -0.318 36 HG13 VAL 6 3HG1 VAL 6 9.047 -2.796 1.395 37 HG21 VAL 6 3HG2 VAL 6 12.018 -3.465 -1.044 38 HG22 VAL 6 1HG2 VAL 6 12.073 -1.951 -0.141 39 HG23 VAL 6 2HG2 VAL 6 13.062 -3.318 0.371 40 H THR 7 H THR 7 9.339 -2.236 3.309 41 HA THR 7 HA THR 7 10.253 0.472 2.968 42 HB THR 7 HB THR 7 7.918 0.168 2.690 43 HG1 THR 7 HG1 THR 7 8.106 1.224 5.319 44 HG21 THR 7 3HG2 THR 7 7.995 -1.218 5.366 45 HG22 THR 7 1HG2 THR 7 7.528 -1.900 3.809 46 HG23 THR 7 2HG2 THR 7 6.500 -0.698 4.588 47 H TYR 8 H TYR 8 9.864 -1.788 5.646 48 HA TYR 8 HA TYR 8 10.454 0.097 7.696 49 HB2 TYR 8 1HB TYR 8 9.236 -2.091 8.008 50 HB3 TYR 8 2HB TYR 8 10.788 -2.903 7.837 51 HD1 TYR 8 HD1 TYR 8 12.527 -2.633 9.560 52 HD2 TYR 8 HD2 TYR 8 8.657 -0.927 10.026 53 HE1 TYR 8 HE1 TYR 8 12.957 -2.329 11.963 54 HE2 TYR 8 HE2 TYR 8 9.077 -0.617 12.429 55 HH TYR 8 HH TYR 8 11.667 -0.417 13.835 56 H LEU 9 H LEU 9 12.368 -1.488 5.395 57 HA LEU 9 HA LEU 9 14.803 -1.077 6.997 58 HB2 LEU 9 1HB LEU 9 13.967 -3.118 5.102 59 HB3 LEU 9 2HB LEU 9 15.552 -2.449 4.721 60 HG LEU 9 HG LEU 9 14.755 -3.732 7.334 61 HD11 LEU 9 1HD1 LEU 9 15.940 -5.621 6.684 62 HD12 LEU 9 2HD1 LEU 9 16.772 -4.773 5.381 63 HD13 LEU 9 3HD1 LEU 9 15.062 -5.172 5.222 64 HD21 LEU 9 3HD2 LEU 9 17.287 -2.424 6.387 65 HD22 LEU 9 1HD2 LEU 9 17.283 -3.632 7.673 66 HD23 LEU 9 2HD2 LEU 9 16.379 -2.130 7.871 67 H ALA 10 H ALA 10 13.141 -0.227 4.058 68 HA ALA 10 HA ALA 10 15.429 1.365 3.149 69 HB1 ALA 10 1HB ALA 10 14.336 1.521 1.030 70 HB2 ALA 10 2HB ALA 10 14.275 -0.164 1.549 71 HB3 ALA 10 3HB ALA 10 12.842 0.855 1.691 72 H LEU 11 H LEU 11 11.894 1.768 3.460 73 HA LEU 11 HA LEU 11 12.002 4.599 3.339 74 HB2 LEU 11 1HB LEU 11 9.920 2.589 4.071 75 HB3 LEU 11 2HB LEU 11 9.637 4.295 4.413 76 HG LEU 11 HG LEU 11 10.174 3.120 1.685 77 HD11 LEU 11 1HD1 LEU 11 7.693 3.718 3.201 78 HD12 LEU 11 2HD1 LEU 11 8.031 2.436 2.039 79 HD13 LEU 11 3HD1 LEU 11 7.717 4.076 1.474 80 HD21 LEU 11 3HD2 LEU 11 9.404 5.399 0.947 81 HD22 LEU 11 1HD2 LEU 11 10.987 5.349 1.724 82 HD23 LEU 11 2HD2 LEU 11 9.581 5.919 2.624 83 H LEU 12 H LEU 12 12.795 2.430 5.786 84 HA LEU 12 HA LEU 12 12.294 4.402 7.904 85 HB2 LEU 12 1HB LEU 12 12.007 1.613 7.798 86 HB3 LEU 12 2HB LEU 12 13.390 1.917 8.847 87 HG LEU 12 HG LEU 12 10.552 2.855 9.217 88 HD11 LEU 12 1HD1 LEU 12 11.706 0.515 9.946 89 HD12 LEU 12 2HD1 LEU 12 10.371 1.282 10.806 90 HD13 LEU 12 3HD1 LEU 12 12.028 1.509 11.367 91 HD21 LEU 12 3HD2 LEU 12 11.845 4.721 9.854 92 HD22 LEU 12 1HD2 LEU 12 13.075 3.709 10.612 93 HD23 LEU 12 2HD2 LEU 12 11.480 3.859 11.350 94 H ALA 13 H ALA 13 14.830 2.438 6.428 95 HA ALA 13 HA ALA 13 16.851 3.865 8.006 96 HB1 ALA 13 1HB ALA 13 16.617 1.190 7.279 97 HB2 ALA 13 2HB ALA 13 17.910 1.824 6.260 98 HB3 ALA 13 3HB ALA 13 18.017 1.973 8.014 99 H ALA 14 H ALA 14 16.487 2.722 4.641 100 HA ALA 14 HA ALA 14 18.447 4.301 3.492 101 HB1 ALA 14 1HB ALA 14 16.983 2.413 2.484 102 HB2 ALA 14 2HB ALA 14 15.912 3.732 2.011 103 HB3 ALA 14 3HB ALA 14 17.578 3.700 1.434 104 H PHE 15 H PHE 15 15.336 5.205 4.671 105 HA PHE 15 HA PHE 15 14.943 7.552 3.141 106 HB2 PHE 15 1HB PHE 15 13.323 6.219 4.738 107 HB3 PHE 15 2HB PHE 15 13.932 7.343 5.949 108 HD1 PHE 15 HD1 PHE 15 12.780 7.544 2.401 109 HD2 PHE 15 HD2 PHE 15 12.573 9.136 6.342 110 HE1 PHE 15 HE1 PHE 15 11.172 9.239 1.628 111 HE2 PHE 15 HE2 PHE 15 10.965 10.833 5.577 112 HZ PHE 15 HZ PHE 15 10.261 10.885 3.217 113 H LYS 16 H LYS 16 16.873 6.828 5.932 114 HA LYS 16 HA LYS 16 17.252 9.531 6.782 115 HB2 LYS 16 1HB LYS 16 18.639 6.932 7.398 116 HB3 LYS 16 2HB LYS 16 19.243 8.462 8.021 117 HG2 LYS 16 1HG LYS 16 17.845 8.273 9.722 118 HG3 LYS 16 2HG LYS 16 16.496 8.416 8.593 119 HD2 LYS 16 1HD LYS 16 15.973 6.396 9.500 120 HD3 LYS 16 2HD LYS 16 17.054 5.839 8.220 121 HE2 LYS 16 1HE LYS 16 18.781 5.406 9.687 122 HE3 LYS 16 2HE LYS 16 18.184 6.548 10.891 123 HZ1 LYS 16 3HZ LYS 16 16.532 5.052 11.577 124 HZ2 LYS 16 1HZ LYS 16 17.930 4.111 11.424 125 HZ3 LYS 16 2HZ LYS 16 16.736 4.053 10.227 126 H VAL 17 H VAL 17 17.724 10.371 4.591 127 HA VAL 17 HA VAL 17 20.573 10.031 3.911 128 HB VAL 17 HB VAL 17 19.297 11.187 1.698 129 HG11 VAL 17 1HG1 VAL 17 20.187 9.386 0.537 130 HG12 VAL 17 2HG1 VAL 17 21.214 9.469 1.969 131 HG13 VAL 17 3HG1 VAL 17 19.927 8.266 1.874 132 HG21 VAL 17 3HG2 VAL 17 17.744 8.807 2.713 133 HG22 VAL 17 1HG2 VAL 17 17.148 10.464 2.609 134 HG23 VAL 17 2HG2 VAL 17 17.547 9.576 1.139 135 H ARG 18 H ARG 18 18.122 12.178 4.899 136 HA ARG 18 HA ARG 18 19.083 14.608 3.849 137 HB2 ARG 18 1HB ARG 18 16.912 14.706 4.705 138 HB3 ARG 18 2HB ARG 18 17.359 13.883 6.193 139 HG2 ARG 18 1HG ARG 18 18.715 16.443 5.792 140 HG3 ARG 18 2HG ARG 18 16.960 16.560 5.940 141 HD2 ARG 18 1HD ARG 18 17.341 14.944 7.972 142 HD3 ARG 18 2HD ARG 18 18.977 15.599 7.915 143 HE ARG 18 HE ARG 18 18.174 17.605 8.697 144 HH11 ARG 18 1HH1 ARG 18 15.515 15.579 7.727 145 HH12 ARG 18 2HH1 ARG 18 14.306 16.614 8.412 146 HH21 ARG 18 1HH2 ARG 18 16.593 18.976 9.604 147 HH22 ARG 18 2HH2 ARG 18 14.920 18.546 9.479 148 HA PRO 19 HA PRO 19 21.445 15.065 8.054 149 HB2 PRO 19 1HB PRO 19 21.748 12.810 9.534 150 HB3 PRO 19 2HB PRO 19 20.374 13.905 9.723 151 HG2 PRO 19 1HG PRO 19 20.546 11.323 8.218 152 HG3 PRO 19 2HG PRO 19 19.251 11.919 9.272 153 HD2 PRO 19 1HD PRO 19 19.104 12.045 6.572 154 HD3 PRO 19 2HD PRO 19 18.357 13.262 7.627 155 H THR 20 H THR 20 21.753 12.564 5.775 156 HA THR 20 HA THR 20 24.336 11.599 6.376 157 HB THR 20 HB THR 20 22.961 11.753 3.686 158 HG1 THR 20 HG1 THR 20 21.893 10.527 5.412 159 HG21 THR 20 3HG2 THR 20 25.422 10.322 4.644 160 HG22 THR 20 1HG2 THR 20 25.219 11.334 3.215 161 HG23 THR 20 2HG2 THR 20 24.489 9.730 3.270 162 H PHE 21 H PHE 21 23.216 14.511 4.888 163 HA PHE 21 HA PHE 21 25.646 15.149 3.520 164 HB2 PHE 21 1HB PHE 21 23.061 16.134 3.488 165 HB3 PHE 21 2HB PHE 21 23.974 17.429 4.256 166 HD1 PHE 21 HD2 PHE 21 26.293 17.943 3.020 167 HD2 PHE 21 HD1 PHE 21 22.850 16.211 1.213 168 HE1 PHE 21 HE2 PHE 21 27.074 18.701 0.814 169 HE2 PHE 21 HE1 PHE 21 23.626 16.965 -0.997 170 HZ PHE 21 HZ PHE 21 25.740 18.213 -1.198 171 H ALA 22 H ALA 22 24.146 16.274 6.542 172 HA ALA 22 HA ALA 22 26.405 17.887 7.261 173 HB1 ALA 22 1HB ALA 22 24.277 16.989 9.174 174 HB2 ALA 22 2HB ALA 22 25.202 18.491 9.168 175 HB3 ALA 22 3HB ALA 22 23.956 18.218 7.950 176 H ALA 23 H ALA 23 25.271 14.650 8.013 177 HA ALA 23 HA ALA 23 26.905 14.083 10.207 178 HB1 ALA 23 1HB ALA 23 26.635 11.690 9.494 179 HB2 ALA 23 2HB ALA 23 25.131 12.593 9.681 180 HB3 ALA 23 3HB ALA 23 25.780 12.286 8.070 181 H GLY 24 H GLY 24 27.509 13.620 6.732 182 HA2 GLY 24 1HA GLY 24 30.356 13.183 7.390 183 HA3 GLY 24 2HA GLY 24 29.553 12.474 5.997 184 H LEU 25 H LEU 25 28.903 15.761 6.916 185 HA LEU 25 HA LEU 25 29.378 16.856 4.430 186 HB2 LEU 25 1HB LEU 25 29.122 18.945 5.405 187 HB3 LEU 25 2HB LEU 25 28.240 17.870 6.489 188 HG LEU 25 HG LEU 25 30.594 17.885 7.750 189 HD11 LEU 25 1HD1 LEU 25 30.509 20.408 6.136 190 HD12 LEU 25 2HD1 LEU 25 31.854 19.299 6.397 191 HD13 LEU 25 3HD1 LEU 25 31.312 20.350 7.705 192 HD21 LEU 25 3HD2 LEU 25 28.118 19.437 7.947 193 HD22 LEU 25 1HD2 LEU 25 29.495 20.154 8.784 194 HD23 LEU 25 2HD2 LEU 25 28.982 18.512 9.176 195 H LEU 26 H LEU 26 31.637 16.145 6.987 196 HA LEU 26 HA LEU 26 33.789 17.739 6.119 197 HB2 LEU 26 1HB LEU 26 33.426 15.420 7.909 198 HB3 LEU 26 2HB LEU 26 35.053 15.667 7.278 199 HG LEU 26 HG LEU 26 35.068 17.929 8.237 200 HD11 LEU 26 1HD1 LEU 26 33.053 18.851 8.545 201 HD12 LEU 26 2HD1 LEU 26 33.070 17.998 10.089 202 HD13 LEU 26 3HD1 LEU 26 32.250 17.288 8.698 203 HD21 LEU 26 3HD2 LEU 26 36.068 16.305 9.603 204 HD22 LEU 26 1HD2 LEU 26 34.515 15.594 10.043 205 HD23 LEU 26 2HD2 LEU 26 34.969 17.178 10.672 206 H LEU 27 H LEU 27 35.929 16.662 5.405 207 HA LEU 27 HA LEU 27 35.506 14.535 3.448 208 HB2 LEU 27 1HB LEU 27 35.530 17.188 2.680 209 HB3 LEU 27 2HB LEU 27 37.185 16.659 2.383 210 HG LEU 27 HG LEU 27 35.777 16.480 0.384 211 HD11 LEU 27 1HD1 LEU 27 37.510 14.985 0.239 212 HD12 LEU 27 2HD1 LEU 27 36.127 13.899 0.112 213 HD13 LEU 27 3HD1 LEU 27 36.981 14.063 1.647 214 HD21 LEU 27 3HD2 LEU 27 33.705 15.923 1.833 215 HD22 LEU 27 1HD2 LEU 27 34.263 14.256 1.694 216 HD23 LEU 27 2HD2 LEU 27 33.867 15.176 0.243 217 H ARG 28 H ARG 28 36.899 14.754 6.012 218 HA ARG 28 HA ARG 28 39.721 14.692 5.304 219 HB2 ARG 28 1HB ARG 28 38.153 14.874 7.796 220 HB3 ARG 28 2HB ARG 28 39.637 13.938 7.916 221 HG2 ARG 28 1HG ARG 28 40.947 15.808 7.189 222 HG3 ARG 28 2HG ARG 28 39.492 16.747 6.849 223 HD2 ARG 28 1HD ARG 28 39.043 17.108 9.077 224 HD3 ARG 28 2HD ARG 28 39.911 15.663 9.594 225 HE ARG 28 HE ARG 28 41.867 17.254 8.600 226 HH11 ARG 28 1HH1 ARG 28 39.349 17.721 10.959 227 HH12 ARG 28 2HH1 ARG 28 40.254 18.868 11.889 228 HH21 ARG 28 1HH2 ARG 28 43.068 18.764 9.817 229 HH22 ARG 28 2HH2 ARG 28 42.368 19.462 11.238 Start of MODEL 9 1 H1 ASP 1 H ASP 1 2.258 -5.594 6.100 2 HA ASP 1 HA ASP 1 0.381 -5.212 3.859 3 HB2 ASP 1 1HB ASP 1 2.075 -3.299 5.157 4 HB3 ASP 1 2HB ASP 1 2.626 -3.519 3.498 5 H ILE 2 H ILE 2 1.522 -5.159 1.704 6 HA ILE 2 HA ILE 2 3.027 -7.558 1.401 7 HB ILE 2 HB ILE 2 2.660 -5.417 -0.690 8 HG12 ILE 2 1HG1 ILE 2 0.797 -7.686 0.042 9 HG13 ILE 2 2HG1 ILE 2 0.479 -5.972 0.284 10 HG21 ILE 2 1HG2 ILE 2 2.574 -8.230 -1.463 11 HG22 ILE 2 2HG2 ILE 2 3.476 -6.888 -2.164 12 HG23 ILE 2 3HG2 ILE 2 4.112 -7.738 -0.755 13 HD11 ILE 2 3HD1 ILE 2 0.563 -7.534 -2.261 14 HD12 ILE 2 1HD1 ILE 2 -0.705 -6.479 -1.636 15 HD13 ILE 2 2HD1 ILE 2 0.791 -5.785 -2.263 16 H GLY 3 H GLY 3 5.165 -7.871 1.325 17 HA2 GLY 3 1HA GLY 3 7.407 -7.413 1.544 18 HA3 GLY 3 2HA GLY 3 7.108 -6.211 0.298 19 H MET 4 H MET 4 5.703 -6.157 3.521 20 HA MET 4 HA MET 4 6.314 -3.480 3.996 21 HB2 MET 4 1HB MET 4 4.894 -5.474 5.306 22 HB3 MET 4 2HB MET 4 6.169 -5.054 6.442 23 HG2 MET 4 1HG MET 4 4.544 -2.909 5.149 24 HG3 MET 4 2HG MET 4 3.905 -3.806 6.525 25 HE1 MET 4 3HE MET 4 5.560 -2.386 9.523 26 HE2 MET 4 1HE MET 4 3.999 -2.682 8.757 27 HE3 MET 4 2HE MET 4 5.190 -3.979 8.861 28 H GLY 5 H GLY 5 8.293 -6.273 4.236 29 HA2 GLY 5 1HA GLY 5 10.149 -5.291 6.169 30 HA3 GLY 5 2HA GLY 5 10.416 -6.626 5.057 31 H VAL 6 H VAL 6 9.564 -4.412 2.963 32 HA VAL 6 HA VAL 6 12.316 -3.657 2.394 33 HB VAL 6 HB VAL 6 10.607 -4.557 0.671 34 HG11 VAL 6 1HG1 VAL 6 9.061 -3.124 -0.267 35 HG12 VAL 6 2HG1 VAL 6 8.968 -2.683 1.439 36 HG13 VAL 6 3HG1 VAL 6 9.888 -1.680 0.316 37 HG21 VAL 6 3HG2 VAL 6 11.839 -3.608 -1.049 38 HG22 VAL 6 1HG2 VAL 6 11.979 -2.054 -0.226 39 HG23 VAL 6 2HG2 VAL 6 12.922 -3.437 0.333 40 H THR 7 H THR 7 9.302 -2.208 3.394 41 HA THR 7 HA THR 7 10.214 0.499 2.975 42 HB THR 7 HB THR 7 7.872 0.196 2.729 43 HG1 THR 7 HG1 THR 7 7.113 1.681 4.247 44 HG21 THR 7 3HG2 THR 7 7.491 -1.847 3.896 45 HG22 THR 7 1HG2 THR 7 6.475 -0.625 4.658 46 HG23 THR 7 2HG2 THR 7 7.975 -1.132 5.434 47 H TYR 8 H TYR 8 9.864 -1.734 5.677 48 HA TYR 8 HA TYR 8 10.492 0.179 7.696 49 HB2 TYR 8 1HB TYR 8 9.241 -1.971 8.071 50 HB3 TYR 8 2HB TYR 8 10.765 -2.826 7.869 51 HD1 TYR 8 HD1 TYR 8 12.535 -2.630 9.555 52 HD2 TYR 8 HD2 TYR 8 8.764 -0.730 10.081 53 HE1 TYR 8 HE1 TYR 8 13.033 -2.315 11.943 54 HE2 TYR 8 HE2 TYR 8 9.253 -0.409 12.470 55 HH TYR 8 HH TYR 8 11.029 -0.358 13.996 56 H LEU 9 H LEU 9 12.353 -1.456 5.393 57 HA LEU 9 HA LEU 9 14.813 -1.076 6.963 58 HB2 LEU 9 1HB LEU 9 13.920 -3.112 5.088 59 HB3 LEU 9 2HB LEU 9 15.511 -2.471 4.684 60 HG LEU 9 HG LEU 9 14.727 -3.729 7.313 61 HD11 LEU 9 1HD1 LEU 9 16.230 -4.732 4.918 62 HD12 LEU 9 2HD1 LEU 9 14.872 -5.474 5.763 63 HD13 LEU 9 3HD1 LEU 9 16.463 -5.427 6.522 64 HD21 LEU 9 3HD2 LEU 9 16.386 -2.235 7.904 65 HD22 LEU 9 1HD2 LEU 9 17.206 -2.365 6.348 66 HD23 LEU 9 2HD2 LEU 9 17.319 -3.682 7.517 67 H ALA 10 H ALA 10 13.121 -0.194 4.055 68 HA ALA 10 HA ALA 10 15.427 1.364 3.121 69 HB1 ALA 10 1HB ALA 10 14.245 -0.182 1.542 70 HB2 ALA 10 2HB ALA 10 12.840 0.878 1.657 71 HB3 ALA 10 3HB ALA 10 14.357 1.491 0.997 72 H LEU 11 H LEU 11 11.894 1.780 3.438 73 HA LEU 11 HA LEU 11 12.024 4.615 3.303 74 HB2 LEU 11 1HB LEU 11 9.914 2.625 4.018 75 HB3 LEU 11 2HB LEU 11 9.643 4.338 4.333 76 HG LEU 11 HG LEU 11 10.219 3.131 1.627 77 HD11 LEU 11 1HD1 LEU 11 8.070 2.434 2.018 78 HD12 LEU 11 2HD1 LEU 11 7.778 4.030 1.326 79 HD13 LEU 11 3HD1 LEU 11 7.700 3.799 3.073 80 HD21 LEU 11 3HD2 LEU 11 10.246 5.846 2.637 81 HD22 LEU 11 1HD2 LEU 11 9.074 5.638 1.336 82 HD23 LEU 11 2HD2 LEU 11 10.766 5.216 1.073 83 H LEU 12 H LEU 12 12.771 2.440 5.757 84 HA LEU 12 HA LEU 12 12.264 4.420 7.868 85 HB2 LEU 12 1HB LEU 12 11.980 1.612 7.752 86 HB3 LEU 12 2HB LEU 12 13.293 1.952 8.878 87 HG LEU 12 HG LEU 12 11.156 1.720 10.033 88 HD11 LEU 12 1HD1 LEU 12 12.220 3.094 11.428 89 HD12 LEU 12 2HD1 LEU 12 11.212 4.374 10.754 90 HD13 LEU 12 3HD1 LEU 12 12.831 4.097 10.112 91 HD21 LEU 12 3HD2 LEU 12 9.921 2.718 7.954 92 HD22 LEU 12 1HD2 LEU 12 10.168 4.248 8.795 93 HD23 LEU 12 2HD2 LEU 12 9.267 2.948 9.576 94 H ALA 13 H ALA 13 14.783 2.455 6.382 95 HA ALA 13 HA ALA 13 16.808 3.823 8.011 96 HB1 ALA 13 1HB ALA 13 16.566 1.180 7.445 97 HB2 ALA 13 2HB ALA 13 17.700 1.696 6.196 98 HB3 ALA 13 3HB ALA 13 18.075 1.973 7.897 99 H ALA 14 H ALA 14 16.468 2.711 4.633 100 HA ALA 14 HA ALA 14 18.465 4.279 3.526 101 HB1 ALA 14 1HB ALA 14 17.000 2.403 2.487 102 HB2 ALA 14 2HB ALA 14 15.957 3.736 1.992 103 HB3 ALA 14 3HB ALA 14 17.636 3.683 1.453 104 H PHE 15 H PHE 15 15.348 5.199 4.667 105 HA PHE 15 HA PHE 15 14.993 7.554 3.135 106 HB2 PHE 15 1HB PHE 15 13.341 6.216 4.705 107 HB3 PHE 15 2HB PHE 15 13.923 7.350 5.919 108 HD1 PHE 15 HD1 PHE 15 12.413 7.202 2.528 109 HD2 PHE 15 HD2 PHE 15 12.984 9.464 6.088 110 HE1 PHE 15 HE1 PHE 15 10.818 8.888 1.709 111 HE2 PHE 15 HE2 PHE 15 11.390 11.152 5.276 112 HZ PHE 15 HZ PHE 15 10.304 10.865 3.084 113 H LYS 16 H LYS 16 16.883 6.800 5.939 114 HA LYS 16 HA LYS 16 17.252 9.492 6.828 115 HB2 LYS 16 1HB LYS 16 18.617 6.882 7.435 116 HB3 LYS 16 2HB LYS 16 19.231 8.401 8.075 117 HG2 LYS 16 1HG LYS 16 17.814 8.219 9.761 118 HG3 LYS 16 2HG LYS 16 16.475 8.372 8.620 119 HD2 LYS 16 1HD LYS 16 15.937 6.351 9.520 120 HD3 LYS 16 2HD LYS 16 17.023 5.794 8.245 121 HE2 LYS 16 1HE LYS 16 18.142 4.747 9.870 122 HE3 LYS 16 2HE LYS 16 18.738 6.343 10.324 123 HZ1 LYS 16 3HZ LYS 16 17.382 6.443 12.115 124 HZ2 LYS 16 1HZ LYS 16 17.501 4.758 12.022 125 HZ3 LYS 16 2HZ LYS 16 16.144 5.546 11.392 126 H VAL 17 H VAL 17 17.747 10.339 4.636 127 HA VAL 17 HA VAL 17 20.610 10.018 4.005 128 HB VAL 17 HB VAL 17 19.373 11.168 1.770 129 HG11 VAL 17 1HG1 VAL 17 20.281 9.364 0.626 130 HG12 VAL 17 2HG1 VAL 17 21.282 9.448 2.077 131 HG13 VAL 17 3HG1 VAL 17 19.996 8.246 1.960 132 HG21 VAL 17 3HG2 VAL 17 17.205 10.446 2.645 133 HG22 VAL 17 1HG2 VAL 17 17.631 9.562 1.179 134 HG23 VAL 17 2HG2 VAL 17 17.798 8.789 2.755 135 H ARG 18 H ARG 18 18.125 12.149 4.947 136 HA ARG 18 HA ARG 18 19.094 14.586 3.921 137 HB2 ARG 18 1HB ARG 18 16.905 14.670 4.731 138 HB3 ARG 18 2HB ARG 18 17.325 13.848 6.227 139 HG2 ARG 18 1HG ARG 18 18.674 16.416 5.858 140 HG3 ARG 18 2HG ARG 18 16.916 16.523 5.968 141 HD2 ARG 18 1HD ARG 18 17.265 14.907 8.006 142 HD3 ARG 18 2HD ARG 18 18.898 15.571 7.984 143 HE ARG 18 HE ARG 18 18.067 17.571 8.752 144 HH11 ARG 18 1HH1 ARG 18 15.440 15.531 7.724 145 HH12 ARG 18 2HH1 ARG 18 14.211 16.559 8.385 146 HH21 ARG 18 1HH2 ARG 18 16.459 18.932 9.627 147 HH22 ARG 18 2HH2 ARG 18 14.792 18.493 9.467 148 HA PRO 19 HA PRO 19 21.365 15.051 8.174 149 HB2 PRO 19 1HB PRO 19 21.650 12.795 9.658 150 HB3 PRO 19 2HB PRO 19 20.266 13.882 9.819 151 HG2 PRO 19 1HG PRO 19 20.484 11.303 8.315 152 HG3 PRO 19 2HG PRO 19 19.164 11.891 9.343 153 HD2 PRO 19 1HD PRO 19 19.073 12.020 6.640 154 HD3 PRO 19 2HD PRO 19 18.297 13.231 7.680 155 H THR 20 H THR 20 21.735 12.557 5.897 156 HA THR 20 HA THR 20 24.311 11.606 6.551 157 HB THR 20 HB THR 20 22.992 11.754 3.834 158 HG1 THR 20 HG1 THR 20 22.070 10.477 5.764 159 HG21 THR 20 3HG2 THR 20 25.518 10.529 4.818 160 HG22 THR 20 1HG2 THR 20 25.151 11.257 3.255 161 HG23 THR 20 2HG2 THR 20 24.571 9.634 3.630 162 H PHE 21 H PHE 21 23.203 14.508 5.032 163 HA PHE 21 HA PHE 21 25.658 15.162 3.720 164 HB2 PHE 21 1HB PHE 21 23.068 16.130 3.633 165 HB3 PHE 21 2HB PHE 21 23.956 17.432 4.417 166 HD1 PHE 21 HD1 PHE 21 25.974 18.389 3.258 167 HD2 PHE 21 HD2 PHE 21 23.226 15.774 1.325 168 HE1 PHE 21 HE1 PHE 21 26.796 19.150 1.067 169 HE2 PHE 21 HE2 PHE 21 24.045 16.530 -0.868 170 HZ PHE 21 HZ PHE 21 25.832 18.220 -1.000 171 H ALA 22 H ALA 22 24.086 16.274 6.710 172 HA ALA 22 HA ALA 22 26.313 17.908 7.477 173 HB1 ALA 22 1HB ALA 22 23.680 17.207 8.623 174 HB2 ALA 22 2HB ALA 22 24.935 17.703 9.759 175 HB3 ALA 22 3HB ALA 22 24.460 18.778 8.444 176 H ALA 23 H ALA 23 25.182 14.666 8.232 177 HA ALA 23 HA ALA 23 26.817 14.128 10.438 178 HB1 ALA 23 1HB ALA 23 25.860 12.186 8.338 179 HB2 ALA 23 2HB ALA 23 26.426 11.780 9.959 180 HB3 ALA 23 3HB ALA 23 24.939 12.705 9.750 181 H GLY 24 H GLY 24 27.416 13.722 6.965 182 HA2 GLY 24 1HA GLY 24 30.252 13.197 7.615 183 HA3 GLY 24 2HA GLY 24 29.435 12.535 6.206 184 H LEU 25 H LEU 25 28.849 15.814 7.195 185 HA LEU 25 HA LEU 25 29.394 16.929 4.715 186 HB2 LEU 25 1HB LEU 25 29.081 19.006 5.698 187 HB3 LEU 25 2HB LEU 25 28.161 17.917 6.733 188 HG LEU 25 HG LEU 25 30.495 17.946 8.067 189 HD11 LEU 25 1HD1 LEU 25 31.585 19.492 6.561 190 HD12 LEU 25 2HD1 LEU 25 31.320 20.263 8.124 191 HD13 LEU 25 3HD1 LEU 25 30.272 20.653 6.760 192 HD21 LEU 25 3HD2 LEU 25 29.284 20.118 9.157 193 HD22 LEU 25 1HD2 LEU 25 28.804 18.447 9.455 194 HD23 LEU 25 2HD2 LEU 25 27.956 19.406 8.241 195 H LEU 26 H LEU 26 31.547 16.149 7.328 196 HA LEU 26 HA LEU 26 33.726 17.783 6.610 197 HB2 LEU 26 1HB LEU 26 33.294 15.408 8.305 198 HB3 LEU 26 2HB LEU 26 34.944 15.663 7.742 199 HG LEU 26 HG LEU 26 34.919 17.906 8.766 200 HD11 LEU 26 1HD1 LEU 26 32.103 17.282 9.053 201 HD12 LEU 26 2HD1 LEU 26 32.934 18.834 9.150 202 HD13 LEU 26 3HD1 LEU 26 32.833 17.798 10.573 203 HD21 LEU 26 3HD2 LEU 26 34.197 15.664 10.651 204 HD22 LEU 26 1HD2 LEU 26 35.032 17.155 11.086 205 HD23 LEU 26 2HD2 LEU 26 35.804 15.996 10.003 206 H LEU 27 H LEU 27 32.502 14.821 5.306 207 HA LEU 27 HA LEU 27 34.876 13.967 3.994 208 HB2 LEU 27 1HB LEU 27 32.405 12.887 4.453 209 HB3 LEU 27 2HB LEU 27 32.342 13.234 2.726 210 HG LEU 27 HG LEU 27 33.036 10.975 2.983 211 HD11 LEU 27 1HD1 LEU 27 35.179 10.978 1.880 212 HD12 LEU 27 2HD1 LEU 27 35.495 12.626 2.424 213 HD13 LEU 27 3HD1 LEU 27 34.202 12.312 1.267 214 HD21 LEU 27 3HD2 LEU 27 35.483 10.977 4.268 215 HD22 LEU 27 1HD2 LEU 27 33.956 10.390 4.925 216 HD23 LEU 27 2HD2 LEU 27 34.484 12.039 5.261 217 H ARG 28 H ARG 28 32.340 16.219 3.212 218 HA ARG 28 HA ARG 28 33.184 16.444 0.439 219 HB2 ARG 28 1HB ARG 28 31.099 18.006 1.976 220 HB3 ARG 28 2HB ARG 28 31.364 18.076 0.239 221 HG2 ARG 28 1HG ARG 28 30.909 15.533 0.304 222 HG3 ARG 28 2HG ARG 28 30.193 15.873 1.881 223 HD2 ARG 28 1HD ARG 28 28.332 16.585 0.903 224 HD3 ARG 28 2HD ARG 28 29.245 17.804 0.016 225 HE ARG 28 HE ARG 28 29.033 16.517 -1.852 226 HH11 ARG 28 1HH1 ARG 28 28.531 14.505 0.944 227 HH12 ARG 28 2HH1 ARG 28 28.098 13.105 0.020 228 HH21 ARG 28 1HH2 ARG 28 28.464 14.681 -3.080 229 HH22 ARG 28 2HH2 ARG 28 28.061 13.206 -2.269 Start of MODEL 10 1 H1 ASP 1 H ASP 1 2.710 -6.443 5.109 2 HA ASP 1 HA ASP 1 0.731 -6.319 2.946 3 HB2 ASP 1 1HB ASP 1 2.207 -4.323 4.130 4 HB3 ASP 1 2HB ASP 1 3.135 -4.662 2.672 5 H ILE 2 H ILE 2 1.835 -6.090 0.698 6 HA ILE 2 HA ILE 2 2.882 -8.529 -0.047 7 HB ILE 2 HB ILE 2 1.948 -6.998 -1.680 8 HG12 ILE 2 1HG1 ILE 2 4.832 -7.314 -2.468 9 HG13 ILE 2 2HG1 ILE 2 3.802 -8.723 -2.241 10 HG21 ILE 2 1HG2 ILE 2 4.433 -5.323 -1.414 11 HG22 ILE 2 2HG2 ILE 2 2.986 -4.976 -2.360 12 HG23 ILE 2 3HG2 ILE 2 2.916 -4.943 -0.598 13 HD11 ILE 2 3HD1 ILE 2 3.528 -8.400 -4.468 14 HD12 ILE 2 1HD1 ILE 2 2.220 -7.379 -3.871 15 HD13 ILE 2 2HD1 ILE 2 3.753 -6.655 -4.358 16 H GLY 3 H GLY 3 4.587 -5.611 0.957 17 HA2 GLY 3 1HA GLY 3 6.952 -7.181 1.521 18 HA3 GLY 3 2HA GLY 3 7.155 -6.004 0.232 19 H MET 4 H MET 4 5.866 -6.190 3.552 20 HA MET 4 HA MET 4 6.323 -3.417 4.054 21 HB2 MET 4 1HB MET 4 4.911 -5.486 5.296 22 HB3 MET 4 2HB MET 4 6.153 -5.030 6.454 23 HG2 MET 4 1HG MET 4 4.667 -2.819 5.188 24 HG3 MET 4 2HG MET 4 3.764 -3.843 6.302 25 HE1 MET 4 3HE MET 4 4.221 -3.435 9.273 26 HE2 MET 4 1HE MET 4 4.977 -4.742 8.360 27 HE3 MET 4 2HE MET 4 5.947 -3.753 9.452 28 H GLY 5 H GLY 5 8.272 -6.237 4.193 29 HA2 GLY 5 1HA GLY 5 10.129 -5.341 6.169 30 HA3 GLY 5 2HA GLY 5 10.382 -6.648 5.022 31 H VAL 6 H VAL 6 9.606 -4.450 2.932 32 HA VAL 6 HA VAL 6 12.362 -3.672 2.440 33 HB VAL 6 HB VAL 6 10.126 -2.826 0.653 34 HG11 VAL 6 1HG1 VAL 6 13.020 -3.493 0.421 35 HG12 VAL 6 2HG1 VAL 6 11.983 -3.697 -0.993 36 HG13 VAL 6 3HG1 VAL 6 12.123 -2.117 -0.222 37 HG21 VAL 6 3HG2 VAL 6 9.366 -4.985 0.823 38 HG22 VAL 6 1HG2 VAL 6 10.563 -5.166 -0.460 39 HG23 VAL 6 2HG2 VAL 6 10.963 -5.635 1.193 40 H THR 7 H THR 7 9.310 -2.223 3.341 41 HA THR 7 HA THR 7 10.214 0.484 2.965 42 HB THR 7 HB THR 7 7.860 0.082 2.719 43 HG1 THR 7 HG1 THR 7 7.922 1.356 5.225 44 HG21 THR 7 3HG2 THR 7 6.470 -0.662 4.628 45 HG22 THR 7 1HG2 THR 7 7.941 -0.951 5.556 46 HG23 THR 7 2HG2 THR 7 7.617 -1.894 4.102 47 H TYR 8 H TYR 8 9.875 -1.756 5.663 48 HA TYR 8 HA TYR 8 10.486 0.158 7.686 49 HB2 TYR 8 1HB TYR 8 9.247 -1.995 8.062 50 HB3 TYR 8 2HB TYR 8 10.772 -2.847 7.849 51 HD1 TYR 8 HD1 TYR 8 12.550 -2.656 9.527 52 HD2 TYR 8 HD2 TYR 8 8.779 -0.764 10.081 53 HE1 TYR 8 HE1 TYR 8 13.060 -2.351 11.914 54 HE2 TYR 8 HE2 TYR 8 9.279 -0.453 12.468 55 HH TYR 8 HH TYR 8 10.815 -0.646 14.069 56 H LEU 9 H LEU 9 12.362 -1.463 5.384 57 HA LEU 9 HA LEU 9 14.816 -1.060 6.959 58 HB2 LEU 9 1HB LEU 9 13.945 -3.107 5.079 59 HB3 LEU 9 2HB LEU 9 15.540 -2.461 4.698 60 HG LEU 9 HG LEU 9 14.722 -3.717 7.318 61 HD11 LEU 9 1HD1 LEU 9 15.039 -5.612 6.176 62 HD12 LEU 9 2HD1 LEU 9 16.753 -5.208 6.266 63 HD13 LEU 9 3HD1 LEU 9 15.821 -4.784 4.829 64 HD21 LEU 9 3HD2 LEU 9 17.172 -2.294 6.401 65 HD22 LEU 9 1HD2 LEU 9 17.344 -3.671 7.489 66 HD23 LEU 9 2HD2 LEU 9 16.378 -2.278 7.976 67 H ALA 10 H ALA 10 13.114 -0.188 4.059 68 HA ALA 10 HA ALA 10 15.414 1.367 3.106 69 HB1 ALA 10 1HB ALA 10 14.303 1.513 0.993 70 HB2 ALA 10 2HB ALA 10 14.245 -0.168 1.525 71 HB3 ALA 10 3HB ALA 10 12.815 0.853 1.671 72 H LEU 11 H LEU 11 11.883 1.788 3.443 73 HA LEU 11 HA LEU 11 12.020 4.624 3.311 74 HB2 LEU 11 1HB LEU 11 9.905 2.639 4.029 75 HB3 LEU 11 2HB LEU 11 9.640 4.353 4.341 76 HG LEU 11 HG LEU 11 10.206 3.136 1.638 77 HD11 LEU 11 1HD1 LEU 11 7.774 4.038 1.329 78 HD12 LEU 11 2HD1 LEU 11 7.692 3.838 3.079 79 HD13 LEU 11 3HD1 LEU 11 8.053 2.453 2.050 80 HD21 LEU 11 3HD2 LEU 11 9.433 5.420 0.877 81 HD22 LEU 11 1HD2 LEU 11 11.026 5.352 1.632 82 HD23 LEU 11 2HD2 LEU 11 9.641 5.948 2.547 83 H LEU 12 H LEU 12 12.764 2.441 5.760 84 HA LEU 12 HA LEU 12 12.265 4.417 7.876 85 HB2 LEU 12 1HB LEU 12 11.977 1.609 7.754 86 HB3 LEU 12 2HB LEU 12 13.292 1.946 8.879 87 HG LEU 12 HG LEU 12 11.470 3.669 9.819 88 HD11 LEU 12 1HD1 LEU 12 9.335 3.221 9.338 89 HD12 LEU 12 2HD1 LEU 12 9.590 1.477 9.392 90 HD13 LEU 12 3HD1 LEU 12 9.976 2.379 7.926 91 HD21 LEU 12 3HD2 LEU 12 11.934 0.771 10.411 92 HD22 LEU 12 1HD2 LEU 12 10.767 1.709 11.344 93 HD23 LEU 12 2HD2 LEU 12 12.463 2.194 11.311 94 H ALA 13 H ALA 13 14.778 2.458 6.375 95 HA ALA 13 HA ALA 13 16.809 3.817 8.005 96 HB1 ALA 13 1HB ALA 13 18.000 1.933 7.958 97 HB2 ALA 13 2HB ALA 13 16.545 1.161 7.327 98 HB3 ALA 13 3HB ALA 13 17.787 1.742 6.218 99 H ALA 14 H ALA 14 16.462 2.712 4.626 100 HA ALA 14 HA ALA 14 18.458 4.282 3.518 101 HB1 ALA 14 1HB ALA 14 15.949 3.744 1.986 102 HB2 ALA 14 2HB ALA 14 17.628 3.687 1.447 103 HB3 ALA 14 3HB ALA 14 16.989 2.407 2.479 104 H PHE 15 H PHE 15 15.344 5.201 4.667 105 HA PHE 15 HA PHE 15 14.987 7.558 3.139 106 HB2 PHE 15 1HB PHE 15 13.337 6.217 4.708 107 HB3 PHE 15 2HB PHE 15 13.920 7.350 5.923 108 HD1 PHE 15 HD1 PHE 15 12.474 7.250 2.496 109 HD2 PHE 15 HD2 PHE 15 12.913 9.418 6.133 110 HE1 PHE 15 HE1 PHE 15 10.878 8.936 1.680 111 HE2 PHE 15 HE2 PHE 15 11.317 11.106 5.323 112 HZ PHE 15 HZ PHE 15 10.296 10.866 3.095 113 H LYS 16 H LYS 16 16.881 6.798 5.938 114 HA LYS 16 HA LYS 16 17.250 9.489 6.832 115 HB2 LYS 16 1HB LYS 16 18.616 6.876 7.432 116 HB3 LYS 16 2HB LYS 16 19.232 8.394 8.073 117 HG2 LYS 16 1HG LYS 16 17.819 8.210 9.762 118 HG3 LYS 16 2HG LYS 16 16.478 8.366 8.625 119 HD2 LYS 16 1HD LYS 16 15.938 6.344 9.519 120 HD3 LYS 16 2HD LYS 16 17.024 5.788 8.243 121 HE2 LYS 16 1HE LYS 16 18.243 6.497 10.849 122 HE3 LYS 16 2HE LYS 16 17.272 5.026 10.789 123 HZ1 LYS 16 3HZ LYS 16 19.498 4.432 10.305 124 HZ2 LYS 16 1HZ LYS 16 19.667 5.670 9.164 125 HZ3 LYS 16 2HZ LYS 16 18.653 4.354 8.842 126 H VAL 17 H VAL 17 17.742 10.338 4.640 127 HA VAL 17 HA VAL 17 20.604 10.020 4.005 128 HB VAL 17 HB VAL 17 19.364 11.172 1.773 129 HG11 VAL 17 1HG1 VAL 17 21.272 9.445 2.085 130 HG12 VAL 17 2HG1 VAL 17 19.981 8.249 1.947 131 HG13 VAL 17 3HG1 VAL 17 20.282 9.380 0.627 132 HG21 VAL 17 3HG2 VAL 17 17.620 9.568 1.182 133 HG22 VAL 17 1HG2 VAL 17 17.793 8.791 2.756 134 HG23 VAL 17 2HG2 VAL 17 17.197 10.448 2.651 135 H ARG 18 H ARG 18 18.118 12.148 4.953 136 HA ARG 18 HA ARG 18 19.083 14.587 3.928 137 HB2 ARG 18 1HB ARG 18 16.895 14.668 4.740 138 HB3 ARG 18 2HB ARG 18 17.317 13.844 6.235 139 HG2 ARG 18 1HG ARG 18 18.663 16.415 5.867 140 HG3 ARG 18 2HG ARG 18 16.905 16.519 5.980 141 HD2 ARG 18 1HD ARG 18 17.257 14.902 8.015 142 HD3 ARG 18 2HD ARG 18 18.890 15.567 7.992 143 HE ARG 18 HE ARG 18 16.491 16.899 8.831 144 HH11 ARG 18 1HH1 ARG 18 19.699 17.341 7.552 145 HH12 ARG 18 2HH1 ARG 18 19.858 18.957 8.156 146 HH21 ARG 18 1HH2 ARG 18 16.689 19.025 9.632 147 HH22 ARG 18 2HH2 ARG 18 18.145 19.914 9.340 148 HA PRO 19 HA PRO 19 21.357 15.050 8.181 149 HB2 PRO 19 1HB PRO 19 21.646 12.792 9.661 150 HB3 PRO 19 2HB PRO 19 20.260 13.878 9.825 151 HG2 PRO 19 1HG PRO 19 20.480 11.301 8.317 152 HG3 PRO 19 2HG PRO 19 19.160 11.885 9.347 153 HD2 PRO 19 1HD PRO 19 19.067 12.018 6.644 154 HD3 PRO 19 2HD PRO 19 18.290 13.227 7.687 155 H THR 20 H THR 20 21.728 12.557 5.902 156 HA THR 20 HA THR 20 24.305 11.607 6.552 157 HB THR 20 HB THR 20 22.983 11.760 3.836 158 HG1 THR 20 HG1 THR 20 23.007 9.761 5.864 159 HG21 THR 20 3HG2 THR 20 25.371 10.210 4.833 160 HG22 THR 20 1HG2 THR 20 25.326 11.397 3.530 161 HG23 THR 20 2HG2 THR 20 24.523 9.839 3.332 162 H PHE 21 H PHE 21 23.196 14.516 5.050 163 HA PHE 21 HA PHE 21 25.649 15.174 3.734 164 HB2 PHE 21 1HB PHE 21 23.059 16.142 3.652 165 HB3 PHE 21 2HB PHE 21 23.947 17.440 4.443 166 HD1 PHE 21 HD1 PHE 21 26.428 17.694 3.212 167 HD2 PHE 21 HD2 PHE 21 22.754 16.507 1.419 168 HE1 PHE 21 HE1 PHE 21 27.250 18.465 1.025 169 HE2 PHE 21 HE2 PHE 21 23.571 17.276 -0.771 170 HZ PHE 21 HZ PHE 21 25.822 18.255 -0.970 171 H ALA 22 H ALA 22 24.081 16.280 6.728 172 HA ALA 22 HA ALA 22 26.314 17.905 7.498 173 HB1 ALA 22 1HB ALA 22 23.970 16.979 9.154 174 HB2 ALA 22 2HB ALA 22 25.090 18.281 9.558 175 HB3 ALA 22 3HB ALA 22 24.013 18.443 8.171 176 H ALA 23 H ALA 23 25.186 14.659 8.217 177 HA ALA 23 HA ALA 23 26.778 14.096 10.442 178 HB1 ALA 23 1HB ALA 23 24.994 12.619 9.818 179 HB2 ALA 23 2HB ALA 23 25.768 12.263 8.273 180 HB3 ALA 23 3HB ALA 23 26.509 11.716 9.777 181 H GLY 24 H GLY 24 27.457 13.646 6.979 182 HA2 GLY 24 1HA GLY 24 30.293 13.228 7.696 183 HA3 GLY 24 2HA GLY 24 29.525 12.517 6.284 184 H LEU 25 H LEU 25 28.833 15.797 7.199 185 HA LEU 25 HA LEU 25 29.350 16.902 4.725 186 HB2 LEU 25 1HB LEU 25 29.061 18.986 5.700 187 HB3 LEU 25 2HB LEU 25 28.165 17.903 6.763 188 HG LEU 25 HG LEU 25 30.491 17.930 8.073 189 HD11 LEU 25 1HD1 LEU 25 30.910 20.607 7.919 190 HD12 LEU 25 2HD1 LEU 25 30.593 20.210 6.231 191 HD13 LEU 25 3HD1 LEU 25 31.889 19.389 7.101 192 HD21 LEU 25 3HD2 LEU 25 28.798 20.327 8.505 193 HD22 LEU 25 1HD2 LEU 25 29.387 19.129 9.658 194 HD23 LEU 25 2HD2 LEU 25 28.022 18.746 8.609 195 H LEU 26 H LEU 26 31.563 16.199 7.325 196 HA LEU 26 HA LEU 26 33.721 17.810 6.505 197 HB2 LEU 26 1HB LEU 26 33.337 15.483 8.281 198 HB3 LEU 26 2HB LEU 26 34.975 15.743 7.683 199 HG LEU 26 HG LEU 26 34.949 18.007 8.646 200 HD11 LEU 26 1HD1 LEU 26 32.917 18.032 10.468 201 HD12 LEU 26 2HD1 LEU 26 32.134 17.338 9.048 202 HD13 LEU 26 3HD1 LEU 26 32.925 18.910 8.937 203 HD21 LEU 26 3HD2 LEU 26 34.839 17.252 11.072 204 HD22 LEU 26 1HD2 LEU 26 35.944 16.374 10.014 205 HD23 LEU 26 2HD2 LEU 26 34.387 15.666 10.445 206 H LEU 27 H LEU 27 33.722 14.260 6.310 207 HA LEU 27 HA LEU 27 35.680 14.107 4.329 208 HB2 LEU 27 1HB LEU 27 33.514 12.057 4.652 209 HB3 LEU 27 2HB LEU 27 35.196 11.815 4.185 210 HG LEU 27 HG LEU 27 35.404 12.861 6.724 211 HD11 LEU 27 1HD1 LEU 27 32.874 12.516 6.830 212 HD12 LEU 27 2HD1 LEU 27 33.847 11.848 8.141 213 HD13 LEU 27 3HD1 LEU 27 33.238 10.790 6.867 214 HD21 LEU 27 3HD2 LEU 27 36.820 11.138 6.454 215 HD22 LEU 27 1HD2 LEU 27 35.707 10.254 5.409 216 HD23 LEU 27 2HD2 LEU 27 35.516 10.183 7.161 217 H ARG 28 H ARG 28 35.507 13.453 2.101 218 HA ARG 28 HA ARG 28 34.772 13.738 -0.032 219 HB2 ARG 28 1HB ARG 28 32.975 12.164 1.053 220 HB3 ARG 28 2HB ARG 28 31.934 13.575 0.909 221 HG2 ARG 28 1HG ARG 28 32.024 13.558 -1.415 222 HG3 ARG 28 2HG ARG 28 33.470 12.547 -1.445 223 HD2 ARG 28 1HD ARG 28 32.280 10.615 -0.928 224 HD3 ARG 28 2HD ARG 28 30.910 11.518 -0.282 225 HE ARG 28 HE ARG 28 31.219 12.086 -3.026 226 HH11 ARG 28 1HH1 ARG 28 30.206 9.540 -0.879 227 HH12 ARG 28 2HH1 ARG 28 29.116 8.830 -2.024 228 HH21 ARG 28 1HH2 ARG 28 29.788 11.161 -4.542 229 HH22 ARG 28 2HH2 ARG 28 28.880 9.753 -4.108
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