NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
456440 | 2kuh | 16764 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 82 1H GLU 82 11.726 18.437 -2.762 2 H2 GLU 82 2H GLU 82 12.663 19.761 -2.192 3 H3 GLU 82 3H GLU 82 12.823 18.240 -1.479 4 HA GLU 82 HA GLU 82 10.345 19.833 -1.412 5 HB2 GLU 82 2HB GLU 82 11.172 17.276 0.015 6 HB3 GLU 82 1HB GLU 82 9.599 18.104 0.130 7 HG2 GLU 82 2HG GLU 82 9.196 17.718 -2.261 8 HG3 GLU 82 1HG GLU 82 10.794 16.950 -2.424 9 H GLU 83 H GLU 83 9.862 20.393 0.949 10 HA GLU 83 HA GLU 83 12.236 21.608 2.020 11 HB2 GLU 83 2HB GLU 83 10.839 22.504 3.682 12 HB3 GLU 83 1HB GLU 83 9.962 22.561 2.138 13 HG2 GLU 83 2HG GLU 83 8.761 20.442 2.869 14 HG3 GLU 83 1HG GLU 83 9.480 20.694 4.480 15 H GLU 84 H GLU 84 10.397 18.671 2.762 16 HA GLU 84 HA GLU 84 11.488 18.025 5.183 17 HB2 GLU 84 2HB GLU 84 10.868 16.485 2.736 18 HB3 GLU 84 1HB GLU 84 11.256 15.636 4.388 19 HG2 GLU 84 2HG GLU 84 9.054 17.654 3.833 20 HG3 GLU 84 1HG GLU 84 8.794 15.896 3.711 21 H ILE 85 H ILE 85 12.784 16.982 2.129 22 HA ILE 85 HA ILE 85 15.297 16.295 3.398 23 HB ILE 85 HB ILE 85 16.193 15.826 1.161 24 HG12 ILE 85 2HG1 ILE 85 13.538 16.941 0.204 25 HG13 ILE 85 1HG1 ILE 85 15.155 17.589 -0.147 26 HG21 ILE 85 1HG2 ILE 85 14.528 14.033 0.701 27 HG22 ILE 85 2HG2 ILE 85 13.361 14.865 1.757 28 HG23 ILE 85 3HG2 ILE 85 14.864 14.201 2.441 29 HD11 ILE 85 3HD1 ILE 85 15.700 15.555 -1.422 30 HD12 ILE 85 1HD1 ILE 85 14.252 16.363 -2.070 31 HD13 ILE 85 2HD1 ILE 85 14.083 14.900 -1.070 32 H ARG 86 H ARG 86 14.417 19.061 1.402 33 HA ARG 86 HA ARG 86 17.176 20.022 1.516 34 HB2 ARG 86 2HB ARG 86 15.578 20.307 -0.423 35 HB3 ARG 86 1HB ARG 86 14.779 21.564 0.539 36 HG2 ARG 86 2HG ARG 86 17.588 21.644 -0.587 37 HG3 ARG 86 1HG ARG 86 16.182 22.599 -1.109 38 HD2 ARG 86 2HD ARG 86 16.149 23.405 1.381 39 HD3 ARG 86 1HD ARG 86 17.829 22.832 1.396 40 HE ARG 86 HE ARG 86 18.460 24.607 0.307 41 HH11 ARG 86 1HH2 ARG 86 14.982 24.195 0.354 42 HH12 ARG 86 2HH2 ARG 86 14.483 25.607 -0.468 43 HH21 ARG 86 1HH1 ARG 86 17.908 26.756 -0.624 44 HH22 ARG 86 2HH1 ARG 86 16.317 27.166 -1.121 45 H GLU 87 H GLU 87 14.123 21.103 2.881 46 HA GLU 87 HA GLU 87 15.380 23.421 4.155 47 HB2 GLU 87 2HB GLU 87 13.034 23.449 3.449 48 HB3 GLU 87 1HB GLU 87 12.675 22.228 4.681 49 HG2 GLU 87 2HG GLU 87 13.553 25.059 5.238 50 HG3 GLU 87 1HG GLU 87 11.883 24.454 5.278 51 H ALA 88 H ALA 88 14.279 20.110 5.285 52 HA ALA 88 HA ALA 88 15.268 20.743 7.884 53 HB1 ALA 88 3HB ALA 88 13.959 18.720 7.596 54 HB2 ALA 88 1HB ALA 88 15.551 18.347 8.297 55 HB3 ALA 88 2HB ALA 88 15.236 18.015 6.577 56 H PHE 89 H PHE 89 16.877 19.470 4.941 57 HA PHE 89 HA PHE 89 19.466 19.436 6.014 58 HB2 PHE 89 2HB PHE 89 18.988 18.631 3.772 59 HB3 PHE 89 1HB PHE 89 18.703 20.299 3.220 60 HD1 PHE 89 HD2 PHE 89 21.225 18.030 4.755 61 HD2 PHE 89 HD1 PHE 89 20.485 21.686 2.532 62 HE1 PHE 89 HE2 PHE 89 23.683 18.310 4.385 63 HE2 PHE 89 HE1 PHE 89 22.957 21.997 2.215 64 HZ PHE 89 HZ PHE 89 24.528 20.289 3.133 65 H ARG 90 H ARG 90 17.556 22.209 5.177 66 HA ARG 90 HA ARG 90 19.784 24.042 5.366 67 HB2 ARG 90 2HB ARG 90 17.587 24.529 4.296 68 HB3 ARG 90 1HB ARG 90 16.863 24.588 5.918 69 HG2 ARG 90 2HG ARG 90 18.530 26.424 6.457 70 HG3 ARG 90 1HG ARG 90 18.905 26.464 4.718 71 HD2 ARG 90 2HD ARG 90 16.505 26.862 4.228 72 HD3 ARG 90 1HD ARG 90 16.164 26.872 5.975 73 HE ARG 90 HE ARG 90 18.285 28.633 5.316 74 HH11 ARG 90 1HH2 ARG 90 14.801 28.145 5.503 75 HH12 ARG 90 2HH2 ARG 90 14.327 29.799 5.474 76 HH21 ARG 90 1HH1 ARG 90 17.717 30.933 5.374 77 HH22 ARG 90 2HH1 ARG 90 16.077 31.468 5.450 78 H VAL 91 H VAL 91 17.452 22.725 7.712 79 HA VAL 91 HA VAL 91 18.616 24.211 9.917 80 HB VAL 91 HB VAL 91 16.848 21.789 9.720 81 HG11 VAL 91 1HG1 VAL 91 16.480 21.826 12.145 82 HG12 VAL 91 2HG1 VAL 91 17.787 23.020 12.327 83 HG13 VAL 91 3HG1 VAL 91 18.154 21.381 11.737 84 HG21 VAL 91 3HG2 VAL 91 16.444 24.628 10.706 85 HG22 VAL 91 1HG2 VAL 91 15.205 23.350 10.722 86 HG23 VAL 91 2HG2 VAL 91 15.863 23.932 9.174 87 H PHE 92 H PHE 92 19.307 21.274 8.268 88 HA PHE 92 HA PHE 92 20.939 20.033 10.211 89 HB2 PHE 92 2HB PHE 92 20.981 19.779 7.193 90 HB3 PHE 92 1HB PHE 92 21.902 18.744 8.307 91 HD1 PHE 92 HD1 PHE 92 19.168 19.198 10.281 92 HD2 PHE 92 HD2 PHE 92 20.173 17.458 6.434 93 HE1 PHE 92 HE1 PHE 92 17.191 17.673 10.452 94 HE2 PHE 92 HE2 PHE 92 18.216 15.908 6.620 95 HZ PHE 92 HZ PHE 92 16.753 16.018 8.641 96 H ASP 93 H ASP 93 21.747 22.081 7.420 97 HA ASP 93 HA ASP 93 24.442 22.508 8.503 98 HB2 ASP 93 2HB ASP 93 23.850 22.441 6.011 99 HB3 ASP 93 1HB ASP 93 23.135 24.051 6.265 100 H LYS 94 H LYS 94 23.825 23.126 10.437 101 HA LYS 94 HA LYS 94 21.934 25.161 11.063 102 HB2 LYS 94 2HB LYS 94 22.881 23.515 12.634 103 HB3 LYS 94 1HB LYS 94 24.420 24.397 12.601 104 HG2 LYS 94 2HG LYS 94 23.286 24.934 14.627 105 HG3 LYS 94 1HG LYS 94 23.263 26.365 13.575 106 HD2 LYS 94 2HD LYS 94 20.969 26.147 13.121 107 HD3 LYS 94 1HD LYS 94 20.931 24.447 13.648 108 HE2 LYS 94 2HE LYS 94 21.432 25.172 15.972 109 HE3 LYS 94 1HE LYS 94 21.419 26.869 15.434 110 HZ1 LYS 94 3HZ LYS 94 19.346 26.106 16.376 111 HZ2 LYS 94 1HZ LYS 94 19.171 24.981 15.085 112 HZ3 LYS 94 2HZ LYS 94 19.221 26.650 14.738 113 H ASP 95 H ASP 95 25.305 25.401 10.127 114 HA ASP 95 HA ASP 95 25.260 28.266 10.762 115 HB2 ASP 95 2HB ASP 95 27.648 28.196 10.236 116 HB3 ASP 95 1HB ASP 95 27.183 27.053 11.514 117 H GLY 96 H GLY 96 24.886 26.063 8.141 118 HA2 GLY 96 2HA GLY 96 24.125 26.604 6.001 119 HA3 GLY 96 1HA GLY 96 24.135 28.324 6.450 120 H ASN 97 H ASN 97 26.915 26.267 6.987 121 HA ASN 97 HA ASN 97 28.574 28.118 5.526 122 HB2 ASN 97 2HB ASN 97 30.446 26.526 6.042 123 HB3 ASN 97 1HB ASN 97 29.557 27.148 7.449 124 HD21 ASN 97 1HD2 ASN 97 27.824 24.830 5.617 125 HD22 ASN 97 2HD2 ASN 97 28.060 23.457 6.617 126 H GLY 98 H GLY 98 26.657 25.647 4.380 127 HA2 GLY 98 2HA GLY 98 26.499 24.932 2.106 128 HA3 GLY 98 1HA GLY 98 28.140 25.547 1.827 129 H TYR 99 H TYR 99 28.998 24.046 4.369 130 HA TYR 99 HA TYR 99 29.369 21.503 2.932 131 HB2 TYR 99 2HB TYR 99 31.325 22.845 4.832 132 HB3 TYR 99 1HB TYR 99 31.599 21.388 3.849 133 HD1 TYR 99 HD1 TYR 99 31.794 21.541 1.371 134 HD2 TYR 99 HD2 TYR 99 31.440 25.050 3.905 135 HE1 TYR 99 HE1 TYR 99 32.617 22.984 -0.513 136 HE2 TYR 99 HE2 TYR 99 32.229 26.495 2.014 137 HH TYR 99 HH TYR 99 32.782 26.505 -0.083 138 H ILE 100 H ILE 100 29.435 19.673 4.012 139 HA ILE 100 HA ILE 100 28.089 19.789 6.687 140 HB ILE 100 HB ILE 100 28.061 17.605 4.576 141 HG12 ILE 100 2HG1 ILE 100 26.688 19.655 4.162 142 HG13 ILE 100 1HG1 ILE 100 25.742 18.155 4.298 143 HG21 ILE 100 1HG2 ILE 100 26.433 16.425 6.008 144 HG22 ILE 100 2HG2 ILE 100 26.663 17.647 7.281 145 HG23 ILE 100 3HG2 ILE 100 28.011 16.581 6.816 146 HD11 ILE 100 3HD1 ILE 100 25.203 18.706 6.649 147 HD12 ILE 100 1HD1 ILE 100 24.670 19.998 5.546 148 HD13 ILE 100 2HD1 ILE 100 26.149 20.207 6.514 149 H SER 101 H SER 101 29.006 18.950 8.341 150 HA SER 101 HA SER 101 31.515 17.397 7.719 151 HB2 SER 101 2HB SER 101 32.107 19.274 9.124 152 HB3 SER 101 1HB SER 101 30.840 18.852 10.298 153 HG SER 101 HG SER 101 33.115 17.283 9.624 154 H ALA 102 H ALA 102 31.964 15.556 8.958 155 HA ALA 102 HA ALA 102 29.945 13.626 9.203 156 HB1 ALA 102 3HB ALA 102 32.362 13.156 9.357 157 HB2 ALA 102 1HB ALA 102 31.499 12.455 10.747 158 HB3 ALA 102 2HB ALA 102 32.426 13.962 10.943 159 H ALA 103 H ALA 103 31.113 15.898 11.533 160 HA ALA 103 HA ALA 103 29.541 14.987 13.794 161 HB1 ALA 103 3HB ALA 103 31.334 16.587 14.163 162 HB2 ALA 103 1HB ALA 103 29.793 17.248 14.759 163 HB3 ALA 103 2HB ALA 103 30.467 17.817 13.213 164 H GLU 104 H GLU 104 28.768 17.159 11.100 165 HA GLU 104 HA GLU 104 26.171 17.827 12.172 166 HB2 GLU 104 2HB GLU 104 27.827 18.839 10.236 167 HB3 GLU 104 1HB GLU 104 26.536 18.047 9.306 168 HG2 GLU 104 2HG GLU 104 24.865 19.443 10.195 169 HG3 GLU 104 1HG GLU 104 25.867 19.920 11.587 170 H LEU 105 H LEU 105 27.515 15.325 9.907 171 HA LEU 105 HA LEU 105 25.037 14.409 9.044 172 HB2 LEU 105 2HB LEU 105 27.595 13.535 8.831 173 HB3 LEU 105 1HB LEU 105 26.906 12.311 9.920 174 HG LEU 105 HG LEU 105 26.767 11.582 7.647 175 HD11 LEU 105 1HD1 LEU 105 24.378 11.103 7.387 176 HD12 LEU 105 2HD1 LEU 105 24.014 12.283 8.668 177 HD13 LEU 105 3HD1 LEU 105 24.965 10.826 9.045 178 HD21 LEU 105 3HD2 LEU 105 25.216 14.103 7.057 179 HD22 LEU 105 1HD2 LEU 105 25.422 12.732 5.941 180 HD23 LEU 105 2HD2 LEU 105 26.840 13.668 6.471 181 H ARG 106 H ARG 106 26.799 13.498 11.940 182 HA ARG 106 HA ARG 106 24.734 12.062 13.219 183 HB2 ARG 106 2HB ARG 106 26.859 12.021 14.213 184 HB3 ARG 106 1HB ARG 106 26.869 13.782 14.446 185 HG2 ARG 106 2HG ARG 106 25.251 13.647 16.200 186 HG3 ARG 106 1HG ARG 106 24.928 11.934 15.853 187 HD2 ARG 106 2HD ARG 106 26.426 12.609 17.892 188 HD3 ARG 106 1HD ARG 106 26.857 11.210 16.884 189 HE ARG 106 HE ARG 106 28.764 12.243 16.285 190 HH11 ARG 106 1HH2 ARG 106 26.574 14.665 17.529 191 HH12 ARG 106 2HH2 ARG 106 27.690 16.007 17.413 192 HH21 ARG 106 1HH1 ARG 106 30.292 13.916 16.233 193 HH22 ARG 106 2HH1 ARG 106 29.843 15.580 16.509 194 H HIS 107 H HIS 107 24.960 15.501 12.883 195 HA HIS 107 HA HIS 107 22.820 16.068 14.790 196 HB2 HIS 107 2HB HIS 107 24.239 17.906 14.007 197 HB3 HIS 107 1HB HIS 107 23.596 17.705 12.360 198 HD1 HIS 107 HD1 HIS 107 21.996 19.649 12.048 199 HD2 HIS 107 HD2 HIS 107 21.688 17.863 15.846 200 HE1 HIS 107 HE1 HIS 107 19.997 20.790 13.238 201 H VAL 108 H VAL 108 22.919 15.665 11.289 202 HA VAL 108 HA VAL 108 20.089 15.728 10.947 203 HB VAL 108 HB VAL 108 20.301 15.199 8.795 204 HG11 VAL 108 1HG1 VAL 108 22.423 16.072 7.882 205 HG12 VAL 108 2HG1 VAL 108 23.130 15.989 9.514 206 HG13 VAL 108 3HG1 VAL 108 21.755 17.073 9.194 207 HG21 VAL 108 3HG2 VAL 108 22.683 13.395 9.241 208 HG22 VAL 108 1HG2 VAL 108 21.947 13.791 7.670 209 HG23 VAL 108 2HG2 VAL 108 21.013 12.891 8.889 210 H MET 109 H MET 109 22.285 13.166 11.832 211 HA MET 109 HA MET 109 20.367 11.073 11.746 212 HB2 MET 109 2HB MET 109 22.847 11.286 13.459 213 HB3 MET 109 1HB MET 109 21.917 9.806 13.131 214 HG2 MET 109 2HG MET 109 23.740 11.364 11.335 215 HG3 MET 109 1HG MET 109 23.607 9.609 11.582 216 HE1 MET 109 3HE MET 109 21.850 8.053 10.419 217 HE2 MET 109 1HE MET 109 20.476 8.654 9.459 218 HE3 MET 109 2HE MET 109 20.554 8.985 11.206 219 H THR 110 H THR 110 21.301 13.289 14.243 220 HA THR 110 HA THR 110 19.562 12.264 16.274 221 HB THR 110 HB THR 110 20.482 15.104 15.810 222 HG1 THR 110 HG1 THR 110 21.942 14.609 17.371 223 HG21 THR 110 3HG2 THR 110 18.446 15.140 17.192 224 HG22 THR 110 1HG2 THR 110 19.884 15.545 18.161 225 HG23 THR 110 2HG2 THR 110 19.156 13.925 18.282 226 H ASN 111 H ASN 111 18.996 14.640 13.649 227 HA ASN 111 HA ASN 111 16.287 15.131 14.304 228 HB2 ASN 111 2HB ASN 111 17.692 16.448 12.717 229 HB3 ASN 111 1HB ASN 111 17.633 15.083 11.575 230 HD21 ASN 111 1HD2 ASN 111 15.607 14.390 10.749 231 HD22 ASN 111 2HD2 ASN 111 14.234 15.401 10.670 232 H LEU 112 H LEU 112 17.884 12.690 12.427 233 HA LEU 112 HA LEU 112 15.534 11.460 11.358 234 HB2 LEU 112 2HB LEU 112 18.439 10.853 11.525 235 HB3 LEU 112 1HB LEU 112 17.344 9.488 11.236 236 HG LEU 112 HG LEU 112 18.406 10.460 9.226 237 HD11 LEU 112 1HD1 LEU 112 16.370 10.371 7.838 238 HD12 LEU 112 2HD1 LEU 112 15.387 10.454 9.319 239 HD13 LEU 112 3HD1 LEU 112 16.463 9.063 9.042 240 HD21 LEU 112 3HD2 LEU 112 16.579 12.833 9.625 241 HD22 LEU 112 1HD2 LEU 112 17.479 12.445 8.139 242 HD23 LEU 112 2HD2 LEU 112 18.359 12.837 9.635 243 H GLY 113 H GLY 113 16.785 11.536 14.487 244 HA2 GLY 113 2HA GLY 113 15.449 10.552 16.289 245 HA3 GLY 113 1HA GLY 113 14.981 9.256 15.163 246 H GLU 114 H GLU 114 17.513 8.869 14.021 247 HA GLU 114 HA GLU 114 18.552 7.162 16.203 248 HB2 GLU 114 2HB GLU 114 18.934 6.984 13.197 249 HB3 GLU 114 1HB GLU 114 19.563 5.829 14.393 250 HG2 GLU 114 2HG GLU 114 16.634 6.428 13.809 251 HG3 GLU 114 1HG GLU 114 17.517 4.933 13.418 252 H LYS 115 H LYS 115 20.374 7.531 17.135 253 HA LYS 115 HA LYS 115 22.126 9.565 15.777 254 HB2 LYS 115 2HB LYS 115 21.906 9.056 18.766 255 HB3 LYS 115 1HB LYS 115 22.899 10.298 17.967 256 HG2 LYS 115 2HG LYS 115 21.015 11.539 17.296 257 HG3 LYS 115 1HG LYS 115 19.908 10.179 17.592 258 HD2 LYS 115 2HD LYS 115 19.697 11.928 19.306 259 HD3 LYS 115 1HD LYS 115 20.244 10.381 19.989 260 HE2 LYS 115 2HE LYS 115 22.546 11.213 20.099 261 HE3 LYS 115 1HE LYS 115 22.045 12.747 19.346 262 HZ1 LYS 115 3HZ LYS 115 20.446 12.989 21.157 263 HZ2 LYS 115 1HZ LYS 115 22.049 13.026 21.698 264 HZ3 LYS 115 2HZ LYS 115 21.080 11.640 21.935 265 H LEU 116 H LEU 116 23.917 8.698 15.023 266 HA LEU 116 HA LEU 116 24.758 6.210 16.389 267 HB2 LEU 116 2HB LEU 116 25.753 7.355 13.783 268 HB3 LEU 116 1HB LEU 116 25.960 5.706 14.407 269 HG LEU 116 HG LEU 116 23.297 5.767 14.313 270 HD11 LEU 116 1HD1 LEU 116 22.511 6.828 12.239 271 HD12 LEU 116 2HD1 LEU 116 24.105 7.591 12.030 272 HD13 LEU 116 3HD1 LEU 116 23.086 8.027 13.423 273 HD21 LEU 116 3HD2 LEU 116 25.063 5.235 11.908 274 HD22 LEU 116 1HD2 LEU 116 23.392 4.661 12.118 275 HD23 LEU 116 2HD2 LEU 116 24.673 4.087 13.212 276 H THR 117 H THR 117 27.031 5.878 16.880 277 HA THR 117 HA THR 117 27.819 8.284 18.341 278 HB THR 117 HB THR 117 29.582 6.899 19.326 279 HG1 THR 117 HG1 THR 117 29.964 5.452 17.521 280 HG21 THR 117 3HG2 THR 117 27.330 6.905 20.307 281 HG22 THR 117 1HG2 THR 117 28.080 5.299 20.478 282 HG23 THR 117 2HG2 THR 117 26.842 5.575 19.229 283 H ASP 118 H ASP 118 30.349 8.715 18.500 284 HA ASP 118 HA ASP 118 30.977 9.955 16.127 285 HB2 ASP 118 2HB ASP 118 32.830 9.140 18.367 286 HB3 ASP 118 1HB ASP 118 33.248 10.270 17.058 287 H GLU 119 H GLU 119 31.779 6.705 17.038 288 HA GLU 119 HA GLU 119 33.730 6.062 15.100 289 HB2 GLU 119 2HB GLU 119 32.847 4.803 17.148 290 HB3 GLU 119 1HB GLU 119 31.530 4.250 16.094 291 HG2 GLU 119 2HG GLU 119 33.049 3.004 14.715 292 HG3 GLU 119 1HG GLU 119 34.462 3.712 15.534 293 H GLU 120 H GLU 120 30.228 5.754 15.068 294 HA GLU 120 HA GLU 120 30.058 4.835 12.378 295 HB2 GLU 120 2HB GLU 120 28.038 6.264 14.120 296 HB3 GLU 120 1HB GLU 120 27.685 5.331 12.650 297 HG2 GLU 120 2HG GLU 120 29.127 3.928 14.860 298 HG3 GLU 120 1HG GLU 120 27.400 4.295 15.091 299 H VAL 121 H VAL 121 29.844 7.947 13.899 300 HA VAL 121 HA VAL 121 29.131 9.573 11.654 301 HB VAL 121 HB VAL 121 30.892 10.091 14.043 302 HG11 VAL 121 1HG1 VAL 121 30.447 12.466 13.788 303 HG12 VAL 121 2HG1 VAL 121 29.653 12.152 12.226 304 HG13 VAL 121 3HG1 VAL 121 31.390 11.817 12.424 305 HG21 VAL 121 3HG2 VAL 121 27.971 10.665 13.474 306 HG22 VAL 121 1HG2 VAL 121 28.845 11.162 14.942 307 HG23 VAL 121 2HG2 VAL 121 28.622 9.434 14.582 308 H ASP 122 H ASP 122 32.292 8.213 12.572 309 HA ASP 122 HA ASP 122 33.642 9.471 10.379 310 HB2 ASP 122 2HB ASP 122 34.255 6.920 11.892 311 HB3 ASP 122 1HB ASP 122 35.308 7.624 10.643 312 H GLU 123 H GLU 123 31.995 6.354 10.747 313 HA GLU 123 HA GLU 123 32.291 5.565 8.009 314 HB2 GLU 123 2HB GLU 123 31.450 4.043 9.747 315 HB3 GLU 123 1HB GLU 123 29.945 4.986 9.830 316 HG2 GLU 123 2HG GLU 123 29.507 4.456 7.440 317 HG3 GLU 123 1HG GLU 123 30.980 3.460 7.411 318 H MET 124 H MET 124 30.190 7.916 9.513 319 HA MET 124 HA MET 124 28.460 8.306 7.293 320 HB2 MET 124 2HB MET 124 29.384 10.130 9.491 321 HB3 MET 124 1HB MET 124 28.422 10.744 8.130 322 HG2 MET 124 2HG MET 124 27.250 10.016 10.314 323 HG3 MET 124 1HG MET 124 26.550 9.591 8.739 324 HE1 MET 124 3HE MET 124 27.188 8.688 12.045 325 HE2 MET 124 1HE MET 124 26.398 7.093 11.986 326 HE3 MET 124 2HE MET 124 25.592 8.512 11.275 327 H ILE 125 H ILE 125 31.706 9.618 8.109 328 HA ILE 125 HA ILE 125 31.810 11.322 5.795 329 HB ILE 125 HB ILE 125 34.063 9.856 7.204 330 HG12 ILE 125 2HG1 ILE 125 32.931 12.663 7.244 331 HG13 ILE 125 1HG1 ILE 125 33.034 11.504 8.586 332 HG21 ILE 125 1HG2 ILE 125 35.588 11.368 5.972 333 HG22 ILE 125 2HG2 ILE 125 34.208 12.024 5.058 334 HG23 ILE 125 3HG2 ILE 125 34.688 10.323 4.846 335 HD11 ILE 125 3HD1 ILE 125 35.491 11.712 8.587 336 HD12 ILE 125 1HD1 ILE 125 34.703 13.290 8.827 337 HD13 ILE 125 2HD1 ILE 125 35.393 12.872 7.241 338 H ARG 126 H ARG 126 32.571 7.889 6.328 339 HA ARG 126 HA ARG 126 33.446 7.555 3.635 340 HB2 ARG 126 2HB ARG 126 34.019 5.959 5.253 341 HB3 ARG 126 1HB ARG 126 32.317 5.622 5.640 342 HG2 ARG 126 2HG ARG 126 33.203 5.142 2.846 343 HG3 ARG 126 1HG ARG 126 33.810 4.039 4.100 344 HD2 ARG 126 2HD ARG 126 31.794 3.026 4.363 345 HD3 ARG 126 1HD ARG 126 30.896 4.556 4.235 346 HE ARG 126 HE ARG 126 30.540 4.157 2.041 347 HH11 ARG 126 1HH2 ARG 126 33.253 2.378 3.269 348 HH12 ARG 126 2HH2 ARG 126 33.696 1.482 1.869 349 HH21 ARG 126 1HH1 ARG 126 30.999 3.038 0.035 350 HH22 ARG 126 2HH1 ARG 126 32.288 1.905 -0.148 351 H GLU 127 H GLU 127 30.303 6.620 4.880 352 HA GLU 127 HA GLU 127 29.182 5.956 2.379 353 HB2 GLU 127 2HB GLU 127 28.362 5.280 4.639 354 HB3 GLU 127 1HB GLU 127 27.689 6.911 4.835 355 HG2 GLU 127 2HG GLU 127 25.940 5.322 4.217 356 HG3 GLU 127 1HG GLU 127 26.178 6.520 2.924 357 H ALA 128 H ALA 128 29.539 9.008 3.928 358 HA ALA 128 HA ALA 128 27.568 10.176 2.071 359 HB1 ALA 128 3HB ALA 128 27.452 10.972 4.351 360 HB2 ALA 128 1HB ALA 128 27.935 12.297 3.265 361 HB3 ALA 128 2HB ALA 128 29.153 11.494 4.285 362 H ASP 129 H ASP 129 30.992 9.958 2.534 363 HA ASP 129 HA ASP 129 31.521 12.014 0.550 364 HB2 ASP 129 2HB ASP 129 32.950 11.798 2.581 365 HB3 ASP 129 1HB ASP 129 33.499 10.208 1.998 366 H ILE 130 H ILE 130 30.827 11.396 -1.262 367 HA ILE 130 HA ILE 130 31.660 8.713 -2.329 368 HB ILE 130 HB ILE 130 29.444 10.536 -3.267 369 HG12 ILE 130 2HG1 ILE 130 28.265 8.196 -3.029 370 HG13 ILE 130 1HG1 ILE 130 29.656 7.824 -1.990 371 HG21 ILE 130 1HG2 ILE 130 28.928 8.867 -5.018 372 HG22 ILE 130 2HG2 ILE 130 30.410 7.973 -4.605 373 HG23 ILE 130 3HG2 ILE 130 30.521 9.613 -5.290 374 HD11 ILE 130 3HD1 ILE 130 29.069 9.701 -0.520 375 HD12 ILE 130 1HD1 ILE 130 27.728 8.539 -0.669 376 HD13 ILE 130 2HD1 ILE 130 27.675 10.080 -1.560 377 H ASP 131 H ASP 131 32.067 12.122 -2.867 378 HA ASP 131 HA ASP 131 33.346 11.872 -5.423 379 HB2 ASP 131 2HB ASP 131 33.688 14.254 -5.210 380 HB3 ASP 131 1HB ASP 131 32.008 13.827 -4.816 381 H GLY 132 H GLY 132 34.307 12.101 -2.049 382 HA2 GLY 132 2HA GLY 132 36.336 11.061 -1.193 383 HA3 GLY 132 1HA GLY 132 36.873 10.801 -2.867 384 H ASP 133 H ASP 133 35.849 13.599 -0.851 385 HA ASP 133 HA ASP 133 38.436 14.870 -1.560 386 HB2 ASP 133 2HB ASP 133 37.310 17.011 -1.404 387 HB3 ASP 133 1HB ASP 133 36.321 15.935 -2.420 388 H GLY 134 H GLY 134 36.707 13.601 1.010 389 HA2 GLY 134 2HA GLY 134 37.709 13.180 3.208 390 HA3 GLY 134 1HA GLY 134 38.742 14.600 2.949 391 H GLN 135 H GLN 135 35.339 14.892 2.168 392 HA GLN 135 HA GLN 135 34.535 16.131 4.660 393 HB2 GLN 135 2HB GLN 135 34.907 17.726 2.088 394 HB3 GLN 135 1HB GLN 135 33.952 18.269 3.486 395 HG2 GLN 135 2HG GLN 135 35.895 18.380 4.883 396 HG3 GLN 135 1HG GLN 135 36.892 17.536 3.674 397 HE21 GLN 135 1HE2 GLN 135 36.811 18.561 1.440 398 HE22 GLN 135 2HE2 GLN 135 37.043 20.263 1.350 399 H VAL 136 H VAL 136 32.283 16.956 4.345 400 HA VAL 136 HA VAL 136 30.994 15.021 2.443 401 HB VAL 136 HB VAL 136 29.951 15.972 5.125 402 HG11 VAL 136 1HG1 VAL 136 28.162 14.313 4.801 403 HG12 VAL 136 2HG1 VAL 136 28.787 13.982 3.168 404 HG13 VAL 136 3HG1 VAL 136 28.151 15.596 3.567 405 HG21 VAL 136 3HG2 VAL 136 31.095 13.265 4.395 406 HG22 VAL 136 1HG2 VAL 136 30.285 13.668 5.927 407 HG23 VAL 136 2HG2 VAL 136 31.812 14.472 5.490 408 H ASN 137 H ASN 137 30.042 16.093 0.840 409 HA ASN 137 HA ASN 137 29.161 18.814 1.715 410 HB2 ASN 137 2HB ASN 137 29.355 19.605 -0.624 411 HB3 ASN 137 1HB ASN 137 30.883 19.038 0.090 412 HD21 ASN 137 1HD2 ASN 137 31.625 18.761 -2.240 413 HD22 ASN 137 2HD2 ASN 137 31.575 17.055 -2.520 414 H TYR 138 H TYR 138 27.497 19.708 -0.042 415 HA TYR 138 HA TYR 138 25.027 18.402 0.880 416 HB2 TYR 138 2HB TYR 138 24.813 20.757 0.694 417 HB3 TYR 138 1HB TYR 138 25.429 20.763 -0.974 418 HD1 TYR 138 HD2 TYR 138 22.639 19.172 1.029 419 HD2 TYR 138 HD1 TYR 138 23.903 20.973 -2.710 420 HE1 TYR 138 HE2 TYR 138 20.296 19.004 0.160 421 HE2 TYR 138 HE1 TYR 138 21.564 20.782 -3.594 422 HH TYR 138 HH TYR 138 18.999 19.347 -1.578 423 H GLU 139 H GLU 139 26.755 18.649 -2.097 424 HA GLU 139 HA GLU 139 24.838 17.442 -3.781 425 HB2 GLU 139 2HB GLU 139 27.814 17.032 -4.108 426 HB3 GLU 139 1HB GLU 139 26.557 17.080 -5.363 427 HG2 GLU 139 2HG GLU 139 27.803 19.368 -3.832 428 HG3 GLU 139 1HG GLU 139 27.596 19.167 -5.589 429 H GLU 140 H GLU 140 27.547 16.081 -1.970 430 HA GLU 140 HA GLU 140 26.966 13.383 -2.387 431 HB2 GLU 140 2HB GLU 140 28.371 15.043 -0.340 432 HB3 GLU 140 1HB GLU 140 28.221 13.282 -0.157 433 HG2 GLU 140 2HG GLU 140 29.297 13.018 -2.406 434 HG3 GLU 140 1HG GLU 140 29.575 14.777 -2.425 435 H PHE 141 H PHE 141 25.874 15.614 0.081 436 HA PHE 141 HA PHE 141 24.369 13.876 1.637 437 HB2 PHE 141 2HB PHE 141 24.495 16.484 1.646 438 HB3 PHE 141 1HB PHE 141 23.022 16.387 0.655 439 HD1 PHE 141 HD2 PHE 141 20.899 15.520 1.594 440 HD2 PHE 141 HD1 PHE 141 24.547 15.816 3.932 441 HE1 PHE 141 HE2 PHE 141 19.554 15.413 3.712 442 HE2 PHE 141 HE1 PHE 141 23.206 15.698 6.048 443 HZ PHE 141 HZ PHE 141 20.720 15.535 5.915 444 H VAL 142 H VAL 142 23.598 15.090 -1.479 445 HA VAL 142 HA VAL 142 21.026 13.686 -1.740 446 HB VAL 142 HB VAL 142 22.775 14.934 -3.863 447 HG11 VAL 142 1HG1 VAL 142 20.785 14.961 -5.300 448 HG12 VAL 142 2HG1 VAL 142 19.889 14.036 -4.072 449 HG13 VAL 142 3HG1 VAL 142 21.292 13.305 -4.888 450 HG21 VAL 142 3HG2 VAL 142 20.357 16.027 -2.397 451 HG22 VAL 142 1HG2 VAL 142 21.167 16.809 -3.775 452 HG23 VAL 142 2HG2 VAL 142 22.042 16.579 -2.242 453 H GLN 143 H GLN 143 24.391 13.200 -2.886 454 HA GLN 143 HA GLN 143 23.752 10.865 -4.321 455 HB2 GLN 143 2HB GLN 143 25.770 12.308 -4.545 456 HB3 GLN 143 1HB GLN 143 26.405 11.554 -3.067 457 HG2 GLN 143 2HG GLN 143 27.414 10.180 -4.542 458 HG3 GLN 143 1HG GLN 143 25.851 9.338 -4.477 459 HE21 GLN 143 1HE2 GLN 143 27.848 9.340 -6.376 460 HE22 GLN 143 2HE2 GLN 143 27.352 9.960 -7.902 461 H MET 144 H MET 144 24.308 11.290 -0.928 462 HA MET 144 HA MET 144 24.835 8.528 -0.327 463 HB2 MET 144 2HB MET 144 25.439 10.462 1.120 464 HB3 MET 144 1HB MET 144 23.711 10.732 1.432 465 HG2 MET 144 2HG MET 144 23.921 8.137 2.181 466 HG3 MET 144 1HG MET 144 25.563 8.707 2.557 467 HE1 MET 144 3HE MET 144 25.784 11.260 3.698 468 HE2 MET 144 1HE MET 144 24.443 12.014 4.595 469 HE3 MET 144 2HE MET 144 24.353 11.857 2.824 470 H MET 145 H MET 145 22.051 10.613 0.027 471 HA MET 145 HA MET 145 20.412 8.266 0.793 472 HB2 MET 145 2HB MET 145 19.507 11.095 0.191 473 HB3 MET 145 1HB MET 145 18.467 9.798 0.830 474 HG2 MET 145 2HG MET 145 19.664 9.660 2.843 475 HG3 MET 145 1HG MET 145 21.092 10.464 2.156 476 HE1 MET 145 3HE MET 145 20.760 11.309 4.701 477 HE2 MET 145 1HE MET 145 20.677 13.084 4.587 478 HE3 MET 145 2HE MET 145 21.737 12.170 3.488 479 H THR 146 H THR 146 20.509 10.403 -1.929 480 HA THR 146 HA THR 146 18.483 9.020 -3.473 481 HB THR 146 HB THR 146 20.751 10.600 -4.650 482 HG1 THR 146 HG1 THR 146 20.053 11.902 -3.206 483 HG21 THR 146 3HG2 THR 146 19.383 9.494 -6.309 484 HG22 THR 146 1HG2 THR 146 19.132 11.255 -6.372 485 HG23 THR 146 2HG2 THR 146 17.910 10.208 -5.611 486 H ALA 147 H ALA 147 22.058 9.091 -3.702 487 HA ALA 147 HA ALA 147 23.502 7.633 -4.694 488 HB1 ALA 147 3HB ALA 147 22.858 6.220 -2.824 489 HB2 ALA 147 1HB ALA 147 23.121 5.222 -4.275 490 HB3 ALA 147 2HB ALA 147 21.465 5.593 -3.737 491 H LYS 148 H LYS 148 23.222 5.213 -6.125 492 HA LYS 148 HA LYS 148 21.355 5.663 -8.264 493 HB2 LYS 148 2HB LYS 148 23.796 7.038 -8.435 494 HB3 LYS 148 1HB LYS 148 23.993 5.608 -9.469 495 HG2 LYS 148 2HG LYS 148 23.189 7.227 -10.938 496 HG3 LYS 148 1HG LYS 148 21.732 6.301 -10.512 497 HD2 LYS 148 2HD LYS 148 20.991 7.994 -9.001 498 HD3 LYS 148 1HD LYS 148 22.547 8.846 -9.094 499 HE2 LYS 148 2HE LYS 148 22.053 9.270 -11.541 500 HE3 LYS 148 1HE LYS 148 20.412 8.648 -11.236 501 HZ1 LYS 148 3HZ LYS 148 20.705 11.093 -10.990 502 HZ2 LYS 148 1HZ LYS 148 21.668 10.766 -9.596 503 HZ3 LYS 148 2HZ LYS 148 20.035 10.290 -9.647 504 HC1 HLT 150 H4 HLT 150 23.395 8.821 6.921 Start of MODEL 2 1 H1 GLU 82 1H GLU 82 11.834 18.144 -2.830 2 H2 GLU 82 2H GLU 82 12.822 19.431 -2.244 3 H3 GLU 82 3H GLU 82 12.836 17.921 -1.487 4 HA GLU 82 HA GLU 82 10.495 19.710 -1.568 5 HB2 GLU 82 2HB GLU 82 11.050 17.138 -0.040 6 HB3 GLU 82 1HB GLU 82 9.548 18.092 -0.016 7 HG2 GLU 82 2HG GLU 82 9.290 17.695 -2.462 8 HG3 GLU 82 1HG GLU 82 10.751 16.679 -2.431 9 H GLU 83 H GLU 83 9.970 20.241 0.876 10 HA GLU 83 HA GLU 83 12.362 21.425 1.935 11 HB2 GLU 83 2HB GLU 83 10.973 22.265 3.660 12 HB3 GLU 83 1HB GLU 83 10.099 22.382 2.118 13 HG2 GLU 83 2HG GLU 83 8.925 20.213 2.752 14 HG3 GLU 83 1HG GLU 83 9.635 20.407 4.373 15 H GLU 84 H GLU 84 10.533 18.496 2.687 16 HA GLU 84 HA GLU 84 11.677 17.818 5.059 17 HB2 GLU 84 2HB GLU 84 11.112 16.047 2.660 18 HB3 GLU 84 1HB GLU 84 11.399 15.435 4.305 19 HG2 GLU 84 2HG GLU 84 9.267 17.522 3.811 20 HG3 GLU 84 1HG GLU 84 8.934 15.800 3.504 21 H ILE 85 H ILE 85 12.933 16.739 1.997 22 HA ILE 85 HA ILE 85 15.464 16.063 3.226 23 HB ILE 85 HB ILE 85 16.329 15.609 0.977 24 HG12 ILE 85 2HG1 ILE 85 13.672 16.743 0.050 25 HG13 ILE 85 1HG1 ILE 85 15.289 17.382 -0.315 26 HG21 ILE 85 1HG2 ILE 85 14.651 13.829 0.513 27 HG22 ILE 85 2HG2 ILE 85 13.498 14.655 1.589 28 HG23 ILE 85 3HG2 ILE 85 15.005 13.977 2.251 29 HD11 ILE 85 3HD1 ILE 85 15.809 15.349 -1.604 30 HD12 ILE 85 1HD1 ILE 85 14.360 16.170 -2.234 31 HD13 ILE 85 2HD1 ILE 85 14.191 14.704 -1.239 32 H ARG 86 H ARG 86 14.546 18.847 1.278 33 HA ARG 86 HA ARG 86 17.286 19.844 1.265 34 HB2 ARG 86 2HB ARG 86 15.675 20.093 -0.602 35 HB3 ARG 86 1HB ARG 86 14.729 21.196 0.411 36 HG2 ARG 86 2HG ARG 86 17.468 21.706 -0.748 37 HG3 ARG 86 1HG ARG 86 15.925 22.430 -1.253 38 HD2 ARG 86 2HD ARG 86 15.725 23.388 1.070 39 HD3 ARG 86 1HD ARG 86 17.382 22.826 1.370 40 HE ARG 86 HE ARG 86 16.561 25.152 0.222 41 HH11 ARG 86 1HH2 ARG 86 18.997 22.594 -0.042 42 HH12 ARG 86 2HH2 ARG 86 20.242 23.524 -0.781 43 HH21 ARG 86 1HH1 ARG 86 18.160 26.455 -0.878 44 HH22 ARG 86 2HH1 ARG 86 19.717 25.851 -1.305 45 H GLU 87 H GLU 87 14.259 20.900 2.743 46 HA GLU 87 HA GLU 87 15.596 23.165 4.005 47 HB2 GLU 87 2HB GLU 87 13.227 23.316 3.360 48 HB3 GLU 87 1HB GLU 87 12.836 22.093 4.590 49 HG2 GLU 87 2HG GLU 87 14.173 23.810 6.152 50 HG3 GLU 87 1HG GLU 87 13.609 24.958 4.916 51 H ALA 88 H ALA 88 14.459 19.875 5.130 52 HA ALA 88 HA ALA 88 15.452 20.485 7.744 53 HB1 ALA 88 3HB ALA 88 14.167 18.445 7.446 54 HB2 ALA 88 1HB ALA 88 15.772 18.090 8.130 55 HB3 ALA 88 2HB ALA 88 15.446 17.769 6.410 56 H PHE 89 H PHE 89 17.035 19.227 4.785 57 HA PHE 89 HA PHE 89 19.626 19.263 5.860 58 HB2 PHE 89 2HB PHE 89 19.185 18.379 3.642 59 HB3 PHE 89 1HB PHE 89 18.867 20.020 3.033 60 HD1 PHE 89 HD2 PHE 89 21.431 17.892 4.713 61 HD2 PHE 89 HD1 PHE 89 20.618 21.398 2.281 62 HE1 PHE 89 HE2 PHE 89 23.889 18.260 4.409 63 HE2 PHE 89 HE1 PHE 89 23.085 21.785 2.009 64 HZ PHE 89 HZ PHE 89 24.690 20.195 3.062 65 H ARG 90 H ARG 90 17.685 21.982 4.926 66 HA ARG 90 HA ARG 90 19.875 23.846 5.019 67 HB2 ARG 90 2HB ARG 90 17.616 24.256 4.035 68 HB3 ARG 90 1HB ARG 90 16.980 24.397 5.688 69 HG2 ARG 90 2HG ARG 90 18.658 26.262 6.049 70 HG3 ARG 90 1HG ARG 90 18.958 26.209 4.295 71 HD2 ARG 90 2HD ARG 90 16.528 26.557 3.895 72 HD3 ARG 90 1HD ARG 90 16.276 26.682 5.653 73 HE ARG 90 HE ARG 90 18.342 28.410 4.909 74 HH11 ARG 90 1HH2 ARG 90 14.839 27.916 4.771 75 HH12 ARG 90 2HH2 ARG 90 14.376 29.548 4.486 76 HH21 ARG 90 1HH1 ARG 90 17.769 30.679 4.571 77 HH22 ARG 90 2HH1 ARG 90 16.124 31.196 4.414 78 H VAL 91 H VAL 91 17.663 22.581 7.488 79 HA VAL 91 HA VAL 91 18.843 24.197 9.596 80 HB VAL 91 HB VAL 91 17.087 21.758 9.523 81 HG11 VAL 91 1HG1 VAL 91 16.791 21.856 11.956 82 HG12 VAL 91 2HG1 VAL 91 18.096 23.061 12.069 83 HG13 VAL 91 3HG1 VAL 91 18.456 21.409 11.511 84 HG21 VAL 91 3HG2 VAL 91 16.699 24.621 10.444 85 HG22 VAL 91 1HG2 VAL 91 15.466 23.341 10.529 86 HG23 VAL 91 2HG2 VAL 91 16.078 23.883 8.948 87 H PHE 92 H PHE 92 19.446 21.147 8.084 88 HA PHE 92 HA PHE 92 21.160 19.995 9.979 89 HB2 PHE 92 2HB PHE 92 21.130 19.674 6.968 90 HB3 PHE 92 1HB PHE 92 22.109 18.683 8.072 91 HD1 PHE 92 HD1 PHE 92 19.421 19.144 10.108 92 HD2 PHE 92 HD2 PHE 92 20.374 17.296 6.297 93 HE1 PHE 92 HE1 PHE 92 17.470 17.603 10.357 94 HE2 PHE 92 HE2 PHE 92 18.452 15.715 6.578 95 HZ PHE 92 HZ PHE 92 17.026 15.874 8.623 96 H ASP 93 H ASP 93 21.879 22.002 7.167 97 HA ASP 93 HA ASP 93 24.666 22.294 8.085 98 HB2 ASP 93 2HB ASP 93 23.959 22.300 5.629 99 HB3 ASP 93 1HB ASP 93 23.303 23.925 5.941 100 H LYS 94 H LYS 94 24.191 22.893 10.086 101 HA LYS 94 HA LYS 94 22.335 24.903 10.790 102 HB2 LYS 94 2HB LYS 94 23.449 23.225 12.307 103 HB3 LYS 94 1HB LYS 94 24.844 24.322 12.359 104 HG2 LYS 94 2HG LYS 94 23.448 24.617 14.331 105 HG3 LYS 94 1HG LYS 94 23.428 26.084 13.327 106 HD2 LYS 94 2HD LYS 94 21.240 25.623 12.518 107 HD3 LYS 94 1HD LYS 94 21.281 23.958 13.140 108 HE2 LYS 94 2HE LYS 94 19.857 25.328 14.558 109 HE3 LYS 94 1HE LYS 94 21.316 24.851 15.457 110 HZ1 LYS 94 3HZ LYS 94 22.265 27.054 14.951 111 HZ2 LYS 94 1HZ LYS 94 20.827 27.128 15.812 112 HZ3 LYS 94 2HZ LYS 94 20.816 27.431 14.128 113 H ASP 95 H ASP 95 25.677 25.192 9.741 114 HA ASP 95 HA ASP 95 25.636 28.049 10.340 115 HB2 ASP 95 2HB ASP 95 27.986 27.880 9.405 116 HB3 ASP 95 1HB ASP 95 27.640 27.006 10.915 117 H GLY 96 H GLY 96 25.061 25.910 7.652 118 HA2 GLY 96 2HA GLY 96 24.101 26.595 5.609 119 HA3 GLY 96 1HA GLY 96 24.223 28.287 6.138 120 H ASN 97 H ASN 97 27.023 26.284 6.442 121 HA ASN 97 HA ASN 97 28.536 28.127 4.823 122 HB2 ASN 97 2HB ASN 97 30.482 26.653 5.407 123 HB3 ASN 97 1HB ASN 97 29.588 27.333 6.784 124 HD21 ASN 97 1HD2 ASN 97 27.982 24.802 5.112 125 HD22 ASN 97 2HD2 ASN 97 28.287 23.514 6.204 126 H GLY 98 H GLY 98 26.706 25.488 3.911 127 HA2 GLY 98 2HA GLY 98 26.470 24.721 1.653 128 HA3 GLY 98 1HA GLY 98 28.100 25.334 1.305 129 H TYR 99 H TYR 99 29.101 23.960 3.857 130 HA TYR 99 HA TYR 99 29.411 21.359 2.514 131 HB2 TYR 99 2HB TYR 99 31.461 22.792 4.241 132 HB3 TYR 99 1HB TYR 99 31.689 21.296 3.307 133 HD1 TYR 99 HD1 TYR 99 31.917 21.334 0.857 134 HD2 TYR 99 HD2 TYR 99 31.394 24.966 3.181 135 HE1 TYR 99 HE1 TYR 99 32.593 22.708 -1.135 136 HE2 TYR 99 HE2 TYR 99 32.035 26.336 1.185 137 HH TYR 99 HH TYR 99 32.717 26.273 -0.856 138 H ILE 100 H ILE 100 29.600 19.571 3.706 139 HA ILE 100 HA ILE 100 28.387 19.835 6.421 140 HB ILE 100 HB ILE 100 28.140 17.561 4.426 141 HG12 ILE 100 2HG1 ILE 100 26.858 19.608 3.909 142 HG13 ILE 100 1HG1 ILE 100 25.813 18.222 4.292 143 HG21 ILE 100 1HG2 ILE 100 26.524 16.554 5.995 144 HG22 ILE 100 2HG2 ILE 100 26.880 17.828 7.186 145 HG23 ILE 100 3HG2 ILE 100 28.145 16.665 6.721 146 HD11 ILE 100 3HD1 ILE 100 25.495 19.090 6.584 147 HD12 ILE 100 1HD1 ILE 100 24.984 20.282 5.365 148 HD13 ILE 100 2HD1 ILE 100 26.542 20.478 6.203 149 H SER 101 H SER 101 29.326 19.068 8.041 150 HA SER 101 HA SER 101 31.772 17.396 7.442 151 HB2 SER 101 2HB SER 101 32.389 19.382 8.749 152 HB3 SER 101 1HB SER 101 31.213 18.935 10.006 153 HG SER 101 HG SER 101 33.597 17.597 9.252 154 H ALA 102 H ALA 102 32.181 15.629 8.826 155 HA ALA 102 HA ALA 102 30.093 13.790 9.132 156 HB1 ALA 102 3HB ALA 102 32.488 13.235 9.270 157 HB2 ALA 102 1HB ALA 102 31.623 12.601 10.690 158 HB3 ALA 102 2HB ALA 102 32.605 14.079 10.834 159 H ALA 103 H ALA 103 31.337 16.078 11.374 160 HA ALA 103 HA ALA 103 29.736 15.378 13.689 161 HB1 ALA 103 3HB ALA 103 31.541 16.996 13.931 162 HB2 ALA 103 1HB ALA 103 30.004 17.707 14.479 163 HB3 ALA 103 2HB ALA 103 30.677 18.153 12.892 164 H GLU 104 H GLU 104 28.982 17.355 10.862 165 HA GLU 104 HA GLU 104 26.366 18.062 11.912 166 HB2 GLU 104 2HB GLU 104 27.955 18.750 9.684 167 HB3 GLU 104 1HB GLU 104 26.398 18.118 9.105 168 HG2 GLU 104 2HG GLU 104 25.172 19.827 10.125 169 HG3 GLU 104 1HG GLU 104 26.445 20.167 11.323 170 H LEU 105 H LEU 105 27.688 15.461 9.704 171 HA LEU 105 HA LEU 105 25.138 14.542 9.035 172 HB2 LEU 105 2HB LEU 105 27.669 13.722 8.618 173 HB3 LEU 105 1HB LEU 105 27.115 12.488 9.767 174 HG LEU 105 HG LEU 105 26.860 11.746 7.504 175 HD11 LEU 105 1HD1 LEU 105 24.498 11.089 7.447 176 HD12 LEU 105 2HD1 LEU 105 24.161 12.238 8.764 177 HD13 LEU 105 3HD1 LEU 105 25.248 10.857 9.044 178 HD21 LEU 105 3HD2 LEU 105 25.098 14.151 7.047 179 HD22 LEU 105 1HD2 LEU 105 25.298 12.790 5.918 180 HD23 LEU 105 2HD2 LEU 105 26.691 13.820 6.325 181 H ARG 106 H ARG 106 26.916 14.203 11.967 182 HA ARG 106 HA ARG 106 24.935 12.552 13.305 183 HB2 ARG 106 2HB ARG 106 27.142 12.670 14.237 184 HB3 ARG 106 1HB ARG 106 26.989 14.422 14.495 185 HG2 ARG 106 2HG ARG 106 25.142 14.004 16.093 186 HG3 ARG 106 1HG ARG 106 25.365 12.255 15.865 187 HD2 ARG 106 2HD ARG 106 27.534 12.315 16.850 188 HD3 ARG 106 1HD ARG 106 27.565 14.094 16.831 189 HE ARG 106 HE ARG 106 25.304 13.416 18.226 190 HH11 ARG 106 1HH2 ARG 106 28.778 12.562 18.253 191 HH12 ARG 106 2HH2 ARG 106 28.980 12.345 19.892 192 HH21 ARG 106 1HH1 ARG 106 25.577 13.205 20.655 193 HH22 ARG 106 2HH1 ARG 106 27.131 12.657 21.279 194 H HIS 107 H HIS 107 25.146 15.920 12.721 195 HA HIS 107 HA HIS 107 23.049 16.646 14.645 196 HB2 HIS 107 2HB HIS 107 24.456 18.442 13.860 197 HB3 HIS 107 1HB HIS 107 23.987 18.128 12.173 198 HD1 HIS 107 HD1 HIS 107 21.720 18.362 15.167 199 HD2 HIS 107 HD2 HIS 107 22.482 20.278 11.534 200 HE1 HIS 107 HE1 HIS 107 19.832 20.153 14.888 201 H VAL 108 H VAL 108 23.205 15.870 11.199 202 HA VAL 108 HA VAL 108 20.393 16.112 10.756 203 HB VAL 108 HB VAL 108 20.634 15.373 8.681 204 HG11 VAL 108 1HG1 VAL 108 22.823 16.004 7.735 205 HG12 VAL 108 2HG1 VAL 108 23.492 16.054 9.383 206 HG13 VAL 108 3HG1 VAL 108 22.194 17.179 8.915 207 HG21 VAL 108 3HG2 VAL 108 22.860 13.457 9.371 208 HG22 VAL 108 1HG2 VAL 108 22.203 13.755 7.744 209 HG23 VAL 108 2HG2 VAL 108 21.167 13.049 9.008 210 H MET 109 H MET 109 22.450 13.452 11.698 211 HA MET 109 HA MET 109 20.467 11.467 12.022 212 HB2 MET 109 2HB MET 109 23.012 11.912 13.599 213 HB3 MET 109 1HB MET 109 22.001 10.456 13.722 214 HG2 MET 109 2HG MET 109 22.706 11.130 10.964 215 HG3 MET 109 1HG MET 109 24.123 10.851 11.997 216 HE1 MET 109 3HE MET 109 20.584 9.161 12.349 217 HE2 MET 109 1HE MET 109 20.792 7.719 11.327 218 HE3 MET 109 2HE MET 109 20.780 9.339 10.589 219 H THR 110 H THR 110 21.499 13.942 14.152 220 HA THR 110 HA THR 110 19.874 13.278 16.439 221 HB THR 110 HB THR 110 20.410 16.102 15.518 222 HG1 THR 110 HG1 THR 110 22.241 14.580 15.899 223 HG21 THR 110 3HG2 THR 110 18.694 15.978 17.259 224 HG22 THR 110 1HG2 THR 110 20.196 16.680 17.908 225 HG23 THR 110 2HG2 THR 110 19.773 14.990 18.274 226 H ASN 111 H ASN 111 19.145 15.283 13.578 227 HA ASN 111 HA ASN 111 16.428 15.788 14.240 228 HB2 ASN 111 2HB ASN 111 17.768 17.040 12.573 229 HB3 ASN 111 1HB ASN 111 17.795 15.597 11.535 230 HD21 ASN 111 1HD2 ASN 111 15.780 14.758 10.751 231 HD22 ASN 111 2HD2 ASN 111 14.366 15.708 10.567 232 H LEU 112 H LEU 112 18.087 13.188 12.540 233 HA LEU 112 HA LEU 112 15.761 11.856 11.590 234 HB2 LEU 112 2HB LEU 112 18.627 11.181 12.026 235 HB3 LEU 112 1HB LEU 112 17.485 9.835 11.855 236 HG LEU 112 HG LEU 112 18.738 10.494 9.816 237 HD11 LEU 112 1HD1 LEU 112 16.810 10.226 8.304 238 HD12 LEU 112 2HD1 LEU 112 15.721 10.524 9.680 239 HD13 LEU 112 3HD1 LEU 112 16.790 9.101 9.684 240 HD21 LEU 112 3HD2 LEU 112 16.944 12.922 9.753 241 HD22 LEU 112 1HD2 LEU 112 17.935 12.322 8.402 242 HD23 LEU 112 2HD2 LEU 112 18.718 12.902 9.891 243 H GLY 113 H GLY 113 16.893 12.369 14.711 244 HA2 GLY 113 2HA GLY 113 15.548 11.719 16.619 245 HA3 GLY 113 1HA GLY 113 14.969 10.320 15.684 246 H GLU 114 H GLU 114 17.614 9.663 14.639 247 HA GLU 114 HA GLU 114 18.544 8.247 17.069 248 HB2 GLU 114 2HB GLU 114 18.554 7.497 14.115 249 HB3 GLU 114 1HB GLU 114 19.217 6.497 15.431 250 HG2 GLU 114 2HG GLU 114 17.098 6.150 16.405 251 HG3 GLU 114 1HG GLU 114 16.385 7.549 15.572 252 H LYS 115 H LYS 115 20.312 8.996 17.823 253 HA LYS 115 HA LYS 115 22.089 10.552 15.957 254 HB2 LYS 115 2HB LYS 115 22.232 10.231 18.978 255 HB3 LYS 115 1HB LYS 115 23.381 11.163 17.992 256 HG2 LYS 115 2HG LYS 115 21.639 12.718 17.348 257 HG3 LYS 115 1HG LYS 115 20.414 11.747 18.196 258 HD2 LYS 115 2HD LYS 115 22.831 12.896 19.614 259 HD3 LYS 115 1HD LYS 115 21.323 13.817 19.413 260 HE2 LYS 115 2HE LYS 115 21.249 11.043 20.600 261 HE3 LYS 115 1HE LYS 115 21.706 12.437 21.608 262 HZ1 LYS 115 3HZ LYS 115 19.337 11.962 21.641 263 HZ2 LYS 115 1HZ LYS 115 19.232 12.268 19.974 264 HZ3 LYS 115 2HZ LYS 115 19.690 13.506 21.049 265 H LEU 116 H LEU 116 24.069 9.765 15.284 266 HA LEU 116 HA LEU 116 24.645 7.109 16.455 267 HB2 LEU 116 2HB LEU 116 25.193 8.494 13.869 268 HB3 LEU 116 1HB LEU 116 26.257 7.182 14.406 269 HG LEU 116 HG LEU 116 24.413 6.686 12.735 270 HD11 LEU 116 1HD1 LEU 116 24.054 4.427 13.636 271 HD12 LEU 116 2HD1 LEU 116 24.729 4.963 15.193 272 HD13 LEU 116 3HD1 LEU 116 25.749 4.962 13.734 273 HD21 LEU 116 3HD2 LEU 116 22.664 6.620 15.198 274 HD22 LEU 116 1HD2 LEU 116 22.260 5.923 13.610 275 HD23 LEU 116 2HD2 LEU 116 22.480 7.681 13.781 276 H THR 117 H THR 117 26.888 6.549 16.801 277 HA THR 117 HA THR 117 27.878 8.741 18.509 278 HB THR 117 HB THR 117 29.496 7.071 19.351 279 HG1 THR 117 HG1 THR 117 29.714 5.724 17.499 280 HG21 THR 117 3HG2 THR 117 27.248 7.295 20.360 281 HG22 THR 117 1HG2 THR 117 27.794 5.602 20.400 282 HG23 THR 117 2HG2 THR 117 26.600 6.124 19.187 283 H ASP 118 H ASP 118 30.341 9.091 18.663 284 HA ASP 118 HA ASP 118 31.056 10.303 16.301 285 HB2 ASP 118 2HB ASP 118 32.796 9.519 18.647 286 HB3 ASP 118 1HB ASP 118 33.247 10.670 17.369 287 H GLU 119 H GLU 119 31.667 7.041 17.255 288 HA GLU 119 HA GLU 119 33.757 6.382 15.405 289 HB2 GLU 119 2HB GLU 119 32.719 5.065 17.391 290 HB3 GLU 119 1HB GLU 119 31.520 4.520 16.200 291 HG2 GLU 119 2HG GLU 119 33.424 3.631 14.807 292 HG3 GLU 119 1HG GLU 119 34.511 4.010 16.164 293 H GLU 120 H GLU 120 30.281 6.134 15.299 294 HA GLU 120 HA GLU 120 30.026 5.226 12.632 295 HB2 GLU 120 2HB GLU 120 28.171 6.712 14.514 296 HB3 GLU 120 1HB GLU 120 27.668 5.929 12.998 297 HG2 GLU 120 2HG GLU 120 29.167 4.338 15.076 298 HG3 GLU 120 1HG GLU 120 27.425 4.642 15.278 299 H VAL 121 H VAL 121 30.117 8.362 14.111 300 HA VAL 121 HA VAL 121 29.306 9.957 11.852 301 HB VAL 121 HB VAL 121 31.130 10.502 14.193 302 HG11 VAL 121 1HG1 VAL 121 30.723 12.879 13.862 303 HG12 VAL 121 2HG1 VAL 121 29.876 12.526 12.337 304 HG13 VAL 121 3HG1 VAL 121 31.613 12.168 12.495 305 HG21 VAL 121 3HG2 VAL 121 28.210 11.151 13.672 306 HG22 VAL 121 1HG2 VAL 121 29.140 11.652 15.104 307 HG23 VAL 121 2HG2 VAL 121 28.840 9.924 14.797 308 H ASP 122 H ASP 122 32.450 8.506 12.730 309 HA ASP 122 HA ASP 122 33.750 9.672 10.453 310 HB2 ASP 122 2HB ASP 122 34.356 7.145 12.006 311 HB3 ASP 122 1HB ASP 122 35.386 7.810 10.719 312 H GLU 123 H GLU 123 32.059 6.596 10.988 313 HA GLU 123 HA GLU 123 32.259 5.700 8.288 314 HB2 GLU 123 2HB GLU 123 31.368 4.341 10.178 315 HB3 GLU 123 1HB GLU 123 29.871 5.299 10.099 316 HG2 GLU 123 2HG GLU 123 29.687 4.622 7.662 317 HG3 GLU 123 1HG GLU 123 31.032 3.494 7.950 318 H MET 124 H MET 124 30.306 8.225 9.697 319 HA MET 124 HA MET 124 28.500 8.565 7.530 320 HB2 MET 124 2HB MET 124 29.642 10.498 9.537 321 HB3 MET 124 1HB MET 124 28.549 11.016 8.236 322 HG2 MET 124 2HG MET 124 27.701 10.382 10.655 323 HG3 MET 124 1HG MET 124 26.744 10.106 9.186 324 HE1 MET 124 3HE MET 124 26.848 9.086 12.196 325 HE2 MET 124 1HE MET 124 26.070 7.505 11.947 326 HE3 MET 124 2HE MET 124 25.478 8.936 11.070 327 H ILE 125 H ILE 125 31.829 9.746 8.175 328 HA ILE 125 HA ILE 125 31.926 11.327 5.778 329 HB ILE 125 HB ILE 125 34.152 9.837 7.198 330 HG12 ILE 125 2HG1 ILE 125 33.183 12.709 7.113 331 HG13 ILE 125 1HG1 ILE 125 33.220 11.616 8.512 332 HG21 ILE 125 1HG2 ILE 125 35.693 11.211 5.830 333 HG22 ILE 125 2HG2 ILE 125 34.309 11.873 4.928 334 HG23 ILE 125 3HG2 ILE 125 34.709 10.143 4.800 335 HD11 ILE 125 3HD1 ILE 125 35.686 11.650 8.483 336 HD12 ILE 125 1HD1 ILE 125 35.014 13.290 8.647 337 HD13 ILE 125 2HD1 ILE 125 35.654 12.744 7.078 338 H ARG 126 H ARG 126 32.542 7.869 6.426 339 HA ARG 126 HA ARG 126 33.231 7.384 3.687 340 HB2 ARG 126 2HB ARG 126 33.824 5.841 5.380 341 HB3 ARG 126 1HB ARG 126 32.122 5.527 5.770 342 HG2 ARG 126 2HG ARG 126 33.115 4.849 3.034 343 HG3 ARG 126 1HG ARG 126 33.570 3.812 4.403 344 HD2 ARG 126 2HD ARG 126 31.616 2.752 4.216 345 HD3 ARG 126 1HD ARG 126 30.777 4.266 4.627 346 HE ARG 126 HE ARG 126 31.472 4.374 1.907 347 HH11 ARG 126 1HH2 ARG 126 29.232 3.022 4.323 348 HH12 ARG 126 2HH2 ARG 126 27.925 2.854 3.248 349 HH21 ARG 126 1HH1 ARG 126 29.721 3.715 0.335 350 HH22 ARG 126 2HH1 ARG 126 28.231 3.115 0.950 351 H GLU 127 H GLU 127 30.149 6.721 5.191 352 HA GLU 127 HA GLU 127 28.849 5.924 2.803 353 HB2 GLU 127 2HB GLU 127 28.066 5.316 5.051 354 HB3 GLU 127 1HB GLU 127 27.565 6.996 5.331 355 HG2 GLU 127 2HG GLU 127 25.561 6.579 4.463 356 HG3 GLU 127 1HG GLU 127 26.303 6.074 2.930 357 H ALA 128 H ALA 128 29.436 9.075 4.116 358 HA ALA 128 HA ALA 128 27.466 10.172 2.225 359 HB1 ALA 128 3HB ALA 128 27.378 11.102 4.443 360 HB2 ALA 128 1HB ALA 128 27.914 12.346 3.288 361 HB3 ALA 128 2HB ALA 128 29.097 11.556 4.359 362 H ASP 129 H ASP 129 30.884 9.889 2.655 363 HA ASP 129 HA ASP 129 31.470 11.711 0.479 364 HB2 ASP 129 2HB ASP 129 32.949 11.588 2.489 365 HB3 ASP 129 1HB ASP 129 33.390 9.924 2.033 366 H ILE 130 H ILE 130 30.744 11.004 -1.249 367 HA ILE 130 HA ILE 130 31.372 8.200 -2.150 368 HB ILE 130 HB ILE 130 29.268 10.113 -3.165 369 HG12 ILE 130 2HG1 ILE 130 27.902 7.923 -2.764 370 HG13 ILE 130 1HG1 ILE 130 29.288 7.453 -1.761 371 HG21 ILE 130 1HG2 ILE 130 28.597 8.382 -4.800 372 HG22 ILE 130 2HG2 ILE 130 30.024 7.413 -4.359 373 HG23 ILE 130 3HG2 ILE 130 30.232 8.997 -5.144 374 HD11 ILE 130 3HD1 ILE 130 28.923 9.406 -0.323 375 HD12 ILE 130 1HD1 ILE 130 27.480 8.366 -0.401 376 HD13 ILE 130 2HD1 ILE 130 27.534 9.885 -1.327 377 H ASP 131 H ASP 131 32.024 11.509 -2.865 378 HA ASP 131 HA ASP 131 33.216 11.068 -5.445 379 HB2 ASP 131 2HB ASP 131 33.665 13.439 -5.378 380 HB3 ASP 131 1HB ASP 131 31.974 13.108 -4.945 381 H GLY 132 H GLY 132 34.216 11.440 -2.130 382 HA2 GLY 132 2HA GLY 132 36.229 10.417 -1.207 383 HA3 GLY 132 1HA GLY 132 36.756 10.040 -2.861 384 H ASP 133 H ASP 133 35.796 13.018 -1.059 385 HA ASP 133 HA ASP 133 38.420 14.136 -1.837 386 HB2 ASP 133 2HB ASP 133 37.375 16.281 -1.935 387 HB3 ASP 133 1HB ASP 133 36.286 15.144 -2.762 388 H GLY 134 H GLY 134 36.648 13.099 0.829 389 HA2 GLY 134 2HA GLY 134 37.642 12.817 3.031 390 HA3 GLY 134 1HA GLY 134 38.728 14.172 2.667 391 H GLN 135 H GLN 135 35.315 14.529 1.912 392 HA GLN 135 HA GLN 135 34.598 15.945 4.351 393 HB2 GLN 135 2HB GLN 135 34.906 17.304 1.634 394 HB3 GLN 135 1HB GLN 135 33.971 17.951 2.938 395 HG2 GLN 135 2HG GLN 135 35.845 18.308 4.352 396 HG3 GLN 135 1HG GLN 135 36.898 17.290 3.342 397 HE21 GLN 135 1HE2 GLN 135 36.441 18.094 0.817 398 HE22 GLN 135 2HE2 GLN 135 36.906 19.759 0.639 399 H VAL 136 H VAL 136 32.363 16.795 4.059 400 HA VAL 136 HA VAL 136 30.943 14.852 2.270 401 HB VAL 136 HB VAL 136 30.069 15.959 4.948 402 HG11 VAL 136 1HG1 VAL 136 28.181 14.393 4.787 403 HG12 VAL 136 2HG1 VAL 136 28.692 13.977 3.133 404 HG13 VAL 136 3HG1 VAL 136 28.172 15.636 3.514 405 HG21 VAL 136 3HG2 VAL 136 31.039 13.171 4.284 406 HG22 VAL 136 1HG2 VAL 136 30.319 13.675 5.832 407 HG23 VAL 136 2HG2 VAL 136 31.861 14.383 5.295 408 H ASN 137 H ASN 137 30.077 15.877 0.641 409 HA ASN 137 HA ASN 137 29.215 18.666 1.282 410 HB2 ASN 137 2HB ASN 137 29.038 19.054 -1.239 411 HB3 ASN 137 1HB ASN 137 30.660 18.896 -0.526 412 HD21 ASN 137 1HD2 ASN 137 29.215 18.119 -3.362 413 HD22 ASN 137 2HD2 ASN 137 29.978 16.498 -3.434 414 H TYR 138 H TYR 138 27.501 19.521 -0.236 415 HA TYR 138 HA TYR 138 25.035 18.237 0.672 416 HB2 TYR 138 2HB TYR 138 24.870 20.588 0.419 417 HB3 TYR 138 1HB TYR 138 25.464 20.530 -1.256 418 HD1 TYR 138 HD2 TYR 138 22.690 19.026 0.831 419 HD2 TYR 138 HD1 TYR 138 23.932 20.692 -2.980 420 HE1 TYR 138 HE2 TYR 138 20.324 18.910 0.015 421 HE2 TYR 138 HE1 TYR 138 21.564 20.562 -3.806 422 HH TYR 138 HH TYR 138 19.010 19.234 -1.746 423 H GLU 139 H GLU 139 26.718 18.408 -2.347 424 HA GLU 139 HA GLU 139 24.748 17.167 -3.967 425 HB2 GLU 139 2HB GLU 139 27.688 16.646 -4.399 426 HB3 GLU 139 1HB GLU 139 26.384 16.762 -5.600 427 HG2 GLU 139 2HG GLU 139 27.819 18.983 -4.138 428 HG3 GLU 139 1HG GLU 139 27.564 18.767 -5.887 429 H GLU 140 H GLU 140 27.468 15.879 -2.162 430 HA GLU 140 HA GLU 140 26.911 13.151 -2.523 431 HB2 GLU 140 2HB GLU 140 28.350 14.838 -0.525 432 HB3 GLU 140 1HB GLU 140 28.184 13.082 -0.305 433 HG2 GLU 140 2HG GLU 140 29.184 12.811 -2.619 434 HG3 GLU 140 1HG GLU 140 29.565 14.550 -2.566 435 H PHE 141 H PHE 141 25.855 15.440 -0.066 436 HA PHE 141 HA PHE 141 24.436 13.711 1.556 437 HB2 PHE 141 2HB PHE 141 24.559 16.320 1.563 438 HB3 PHE 141 1HB PHE 141 23.047 16.219 0.632 439 HD1 PHE 141 HD2 PHE 141 21.029 15.021 1.646 440 HD2 PHE 141 HD1 PHE 141 24.658 15.933 3.851 441 HE1 PHE 141 HE2 PHE 141 19.764 14.843 3.808 442 HE2 PHE 141 HE1 PHE 141 23.395 15.756 6.010 443 HZ PHE 141 HZ PHE 141 20.953 15.250 5.963 444 H VAL 142 H VAL 142 23.548 14.921 -1.528 445 HA VAL 142 HA VAL 142 20.957 13.529 -1.689 446 HB VAL 142 HB VAL 142 22.692 14.722 -3.854 447 HG11 VAL 142 1HG1 VAL 142 20.699 14.766 -5.280 448 HG12 VAL 142 2HG1 VAL 142 19.798 13.854 -4.045 449 HG13 VAL 142 3HG1 VAL 142 21.189 13.106 -4.865 450 HG21 VAL 142 3HG2 VAL 142 20.297 15.843 -2.372 451 HG22 VAL 142 1HG2 VAL 142 21.100 16.613 -3.761 452 HG23 VAL 142 2HG2 VAL 142 21.989 16.381 -2.236 453 H GLN 143 H GLN 143 24.282 12.940 -2.897 454 HA GLN 143 HA GLN 143 23.633 10.595 -4.282 455 HB2 GLN 143 2HB GLN 143 25.699 11.999 -4.414 456 HB3 GLN 143 1HB GLN 143 26.250 11.207 -2.924 457 HG2 GLN 143 2HG GLN 143 27.329 9.907 -4.434 458 HG3 GLN 143 1HG GLN 143 25.794 9.015 -4.345 459 HE21 GLN 143 1HE2 GLN 143 26.424 8.154 -6.303 460 HE22 GLN 143 2HE2 GLN 143 26.435 9.094 -7.802 461 H MET 144 H MET 144 24.339 11.035 -0.874 462 HA MET 144 HA MET 144 24.548 8.230 -0.313 463 HB2 MET 144 2HB MET 144 25.677 9.835 1.072 464 HB3 MET 144 1HB MET 144 24.151 10.668 1.437 465 HG2 MET 144 2HG MET 144 23.348 8.655 2.624 466 HG3 MET 144 1HG MET 144 24.897 7.852 2.284 467 HE1 MET 144 3HE MET 144 25.080 11.590 2.790 468 HE2 MET 144 1HE MET 144 24.975 11.831 4.550 469 HE3 MET 144 2HE MET 144 23.545 11.290 3.639 470 H MET 145 H MET 145 22.052 10.657 0.131 471 HA MET 145 HA MET 145 20.244 8.665 1.325 472 HB2 MET 145 2HB MET 145 19.382 11.293 0.097 473 HB3 MET 145 1HB MET 145 18.508 10.309 1.289 474 HG2 MET 145 2HG MET 145 21.166 11.648 1.831 475 HG3 MET 145 1HG MET 145 19.590 12.385 2.186 476 HE1 MET 145 3HE MET 145 22.183 11.766 4.050 477 HE2 MET 145 1HE MET 145 21.340 11.432 5.582 478 HE3 MET 145 2HE MET 145 20.791 12.763 4.537 479 H THR 146 H THR 146 20.283 10.390 -1.712 480 HA THR 146 HA THR 146 18.087 8.976 -2.922 481 HB THR 146 HB THR 146 20.388 10.412 -4.242 482 HG1 THR 146 HG1 THR 146 19.364 12.208 -3.938 483 HG21 THR 146 3HG2 THR 146 19.124 9.157 -5.881 484 HG22 THR 146 1HG2 THR 146 18.845 10.903 -6.083 485 HG23 THR 146 2HG2 THR 146 17.605 9.888 -5.308 486 H ALA 147 H ALA 147 21.643 8.767 -3.406 487 HA ALA 147 HA ALA 147 22.901 7.159 -4.388 488 HB1 ALA 147 3HB ALA 147 22.336 5.945 -2.367 489 HB2 ALA 147 1HB ALA 147 22.420 4.818 -3.742 490 HB3 ALA 147 2HB ALA 147 20.838 5.335 -3.111 491 H LYS 148 H LYS 148 22.309 4.624 -5.579 492 HA LYS 148 HA LYS 148 20.194 4.915 -7.436 493 HB2 LYS 148 2HB LYS 148 22.429 6.366 -8.198 494 HB3 LYS 148 1HB LYS 148 22.646 4.815 -9.041 495 HG2 LYS 148 2HG LYS 148 21.303 5.720 -10.609 496 HG3 LYS 148 1HG LYS 148 19.994 5.288 -9.488 497 HD2 LYS 148 2HD LYS 148 19.594 7.536 -10.154 498 HD3 LYS 148 1HD LYS 148 20.230 7.612 -8.495 499 HE2 LYS 148 2HE LYS 148 22.475 8.146 -9.375 500 HE3 LYS 148 1HE LYS 148 21.845 8.062 -11.037 501 HZ1 LYS 148 3HZ LYS 148 21.197 9.973 -8.908 502 HZ2 LYS 148 1HZ LYS 148 20.219 9.818 -10.314 503 HZ3 LYS 148 2HZ LYS 148 21.860 10.299 -10.424 504 HC1 HLT 150 H4 HLT 150 23.069 8.615 7.924 Start of MODEL 3 1 H1 GLU 82 1H GLU 82 12.165 18.591 -2.970 2 H2 GLU 82 2H GLU 82 13.103 19.899 -2.349 3 H3 GLU 82 3H GLU 82 13.120 18.389 -1.590 4 HA GLU 82 HA GLU 82 10.770 20.165 -1.781 5 HB2 GLU 82 2HB GLU 82 11.269 17.617 -0.197 6 HB3 GLU 82 1HB GLU 82 9.776 18.588 -0.209 7 HG2 GLU 82 2HG GLU 82 9.569 18.192 -2.659 8 HG3 GLU 82 1HG GLU 82 11.024 17.167 -2.599 9 H GLU 83 H GLU 83 10.142 20.697 0.633 10 HA GLU 83 HA GLU 83 12.559 21.858 1.708 11 HB2 GLU 83 2HB GLU 83 11.178 22.969 3.244 12 HB3 GLU 83 1HB GLU 83 10.428 23.036 1.638 13 HG2 GLU 83 2HG GLU 83 8.669 22.739 3.188 14 HG3 GLU 83 1HG GLU 83 8.901 21.162 2.397 15 H GLU 84 H GLU 84 10.462 19.108 2.521 16 HA GLU 84 HA GLU 84 11.498 18.474 4.906 17 HB2 GLU 84 2HB GLU 84 10.938 16.582 2.606 18 HB3 GLU 84 1HB GLU 84 11.195 16.049 4.283 19 HG2 GLU 84 2HG GLU 84 9.144 18.178 3.662 20 HG3 GLU 84 1HG GLU 84 8.751 16.457 3.433 21 H ILE 85 H ILE 85 12.874 17.271 1.960 22 HA ILE 85 HA ILE 85 15.271 16.445 3.384 23 HB ILE 85 HB ILE 85 16.260 15.895 1.202 24 HG12 ILE 85 2HG1 ILE 85 13.722 17.145 0.105 25 HG13 ILE 85 1HG1 ILE 85 15.389 17.682 -0.188 26 HG21 ILE 85 1HG2 ILE 85 14.526 14.185 0.685 27 HG22 ILE 85 2HG2 ILE 85 13.355 15.095 1.668 28 HG23 ILE 85 3HG2 ILE 85 14.784 14.364 2.437 29 HD11 ILE 85 3HD1 ILE 85 15.858 15.592 -1.401 30 HD12 ILE 85 1HD1 ILE 85 14.493 16.475 -2.126 31 HD13 ILE 85 2HD1 ILE 85 14.189 15.047 -1.108 32 H ARG 86 H ARG 86 14.651 19.260 1.359 33 HA ARG 86 HA ARG 86 17.474 20.045 1.568 34 HB2 ARG 86 2HB ARG 86 16.174 20.343 -0.511 35 HB3 ARG 86 1HB ARG 86 15.167 21.539 0.324 36 HG2 ARG 86 2HG ARG 86 18.115 21.847 -0.297 37 HG3 ARG 86 1HG ARG 86 16.771 22.576 -1.202 38 HD2 ARG 86 2HD ARG 86 16.248 23.395 1.373 39 HD3 ARG 86 1HD ARG 86 18.023 23.394 1.334 40 HE ARG 86 HE ARG 86 17.964 25.248 0.237 41 HH11 ARG 86 1HH2 ARG 86 14.844 23.652 0.011 42 HH12 ARG 86 2HH2 ARG 86 14.033 24.779 -1.004 43 HH21 ARG 86 1HH1 ARG 86 16.920 26.896 -1.096 44 HH22 ARG 86 2HH1 ARG 86 15.299 26.715 -1.670 45 H GLU 87 H GLU 87 14.386 21.293 2.696 46 HA GLU 87 HA GLU 87 15.748 23.521 4.002 47 HB2 GLU 87 2HB GLU 87 13.613 24.008 3.113 48 HB3 GLU 87 1HB GLU 87 12.861 22.703 4.052 49 HG2 GLU 87 2HG GLU 87 12.872 23.920 6.019 50 HG3 GLU 87 1HG GLU 87 14.217 24.962 5.495 51 H ALA 88 H ALA 88 14.311 20.378 5.122 52 HA ALA 88 HA ALA 88 15.159 21.010 7.793 53 HB1 ALA 88 3HB ALA 88 13.804 19.021 7.456 54 HB2 ALA 88 1HB ALA 88 15.346 18.611 8.244 55 HB3 ALA 88 2HB ALA 88 15.113 18.268 6.513 56 H PHE 89 H PHE 89 16.875 19.676 4.934 57 HA PHE 89 HA PHE 89 19.376 19.487 6.234 58 HB2 PHE 89 2HB PHE 89 19.076 18.605 3.995 59 HB3 PHE 89 1HB PHE 89 18.875 20.252 3.352 60 HD1 PHE 89 HD2 PHE 89 21.209 18.049 5.265 61 HD2 PHE 89 HD1 PHE 89 20.751 21.551 2.735 62 HE1 PHE 89 HE2 PHE 89 23.693 18.258 5.087 63 HE2 PHE 89 HE1 PHE 89 23.238 21.786 2.598 64 HZ PHE 89 HZ PHE 89 24.686 20.083 3.729 65 H ARG 90 H ARG 90 17.689 22.319 5.087 66 HA ARG 90 HA ARG 90 20.044 23.971 5.411 67 HB2 ARG 90 2HB ARG 90 17.952 24.480 4.098 68 HB3 ARG 90 1HB ARG 90 17.177 24.871 5.646 69 HG2 ARG 90 2HG ARG 90 19.619 26.297 4.561 70 HG3 ARG 90 1HG ARG 90 17.944 26.853 4.347 71 HD2 ARG 90 2HD ARG 90 18.130 26.361 7.082 72 HD3 ARG 90 1HD ARG 90 19.713 27.057 6.673 73 HE ARG 90 HE ARG 90 18.790 29.015 6.493 74 HH11 ARG 90 1HH2 ARG 90 16.302 26.516 6.214 75 HH12 ARG 90 2HH2 ARG 90 14.912 27.503 6.072 76 HH21 ARG 90 1HH1 ARG 90 16.946 30.458 6.397 77 HH22 ARG 90 2HH1 ARG 90 15.312 29.906 6.185 78 H VAL 91 H VAL 91 17.484 22.882 7.599 79 HA VAL 91 HA VAL 91 18.498 24.487 9.810 80 HB VAL 91 HB VAL 91 16.718 22.077 9.612 81 HG11 VAL 91 1HG1 VAL 91 16.167 22.266 11.994 82 HG12 VAL 91 2HG1 VAL 91 17.476 23.454 12.203 83 HG13 VAL 91 3HG1 VAL 91 17.860 21.779 11.740 84 HG21 VAL 91 3HG2 VAL 91 16.271 24.975 10.381 85 HG22 VAL 91 1HG2 VAL 91 15.018 23.710 10.373 86 HG23 VAL 91 2HG2 VAL 91 15.811 24.189 8.852 87 H PHE 92 H PHE 92 19.179 21.376 8.467 88 HA PHE 92 HA PHE 92 20.715 20.279 10.543 89 HB2 PHE 92 2HB PHE 92 20.900 19.810 7.552 90 HB3 PHE 92 1HB PHE 92 21.682 18.811 8.796 91 HD1 PHE 92 HD1 PHE 92 18.886 19.467 10.572 92 HD2 PHE 92 HD2 PHE 92 19.985 17.553 6.832 93 HE1 PHE 92 HE1 PHE 92 16.829 18.048 10.685 94 HE2 PHE 92 HE2 PHE 92 17.954 16.107 6.966 95 HZ PHE 92 HZ PHE 92 16.400 16.354 8.915 96 H ASP 93 H ASP 93 21.625 22.068 7.674 97 HA ASP 93 HA ASP 93 24.339 22.573 8.625 98 HB2 ASP 93 2HB ASP 93 23.629 22.374 6.167 99 HB3 ASP 93 1HB ASP 93 22.951 24.008 6.360 100 H LYS 94 H LYS 94 23.751 23.257 10.576 101 HA LYS 94 HA LYS 94 21.915 25.400 11.054 102 HB2 LYS 94 2HB LYS 94 22.761 23.740 12.734 103 HB3 LYS 94 1HB LYS 94 24.243 24.714 12.850 104 HG2 LYS 94 2HG LYS 94 22.727 25.256 14.680 105 HG3 LYS 94 1HG LYS 94 22.906 26.652 13.593 106 HD2 LYS 94 2HD LYS 94 20.769 26.143 12.531 107 HD3 LYS 94 1HD LYS 94 20.600 24.676 13.521 108 HE2 LYS 94 2HE LYS 94 19.209 26.396 14.481 109 HE3 LYS 94 1HE LYS 94 20.596 26.141 15.566 110 HZ1 LYS 94 3HZ LYS 94 20.227 28.450 15.248 111 HZ2 LYS 94 1HZ LYS 94 20.280 28.246 13.545 112 HZ3 LYS 94 2HZ LYS 94 21.680 28.042 14.484 113 H ASP 95 H ASP 95 25.266 25.459 10.214 114 HA ASP 95 HA ASP 95 25.485 28.330 10.714 115 HB2 ASP 95 2HB ASP 95 27.814 28.021 9.978 116 HB3 ASP 95 1HB ASP 95 27.367 26.982 11.349 117 H GLY 96 H GLY 96 24.989 25.992 8.123 118 HA2 GLY 96 2HA GLY 96 24.057 26.424 6.063 119 HA3 GLY 96 1HA GLY 96 23.949 28.150 6.477 120 H ASN 97 H ASN 97 26.896 26.207 6.738 121 HA ASN 97 HA ASN 97 28.277 28.225 5.160 122 HB2 ASN 97 2HB ASN 97 30.325 26.948 5.606 123 HB3 ASN 97 1HB ASN 97 29.414 27.278 7.099 124 HD21 ASN 97 1HD2 ASN 97 31.337 25.275 6.942 125 HD22 ASN 97 2HD2 ASN 97 30.597 23.731 7.078 126 H GLY 98 H GLY 98 26.759 25.290 4.567 127 HA2 GLY 98 2HA GLY 98 26.100 24.661 2.272 128 HA3 GLY 98 1HA GLY 98 27.631 25.370 1.713 129 H TYR 99 H TYR 99 28.525 23.886 4.497 130 HA TYR 99 HA TYR 99 29.293 21.518 2.930 131 HB2 TYR 99 2HB TYR 99 31.117 23.042 4.828 132 HB3 TYR 99 1HB TYR 99 31.530 21.614 3.854 133 HD1 TYR 99 HD1 TYR 99 31.820 21.784 1.391 134 HD2 TYR 99 HD2 TYR 99 30.963 25.242 3.872 135 HE1 TYR 99 HE1 TYR 99 32.500 23.302 -0.493 136 HE2 TYR 99 HE2 TYR 99 31.609 26.754 1.988 137 HH TYR 99 HH TYR 99 32.170 26.838 -0.061 138 H ILE 100 H ILE 100 29.579 19.672 4.059 139 HA ILE 100 HA ILE 100 28.294 19.764 6.761 140 HB ILE 100 HB ILE 100 28.066 17.632 4.612 141 HG12 ILE 100 2HG1 ILE 100 26.652 19.687 4.487 142 HG13 ILE 100 1HG1 ILE 100 25.718 18.189 4.700 143 HG21 ILE 100 1HG2 ILE 100 26.624 16.364 6.160 144 HG22 ILE 100 2HG2 ILE 100 26.975 17.530 7.458 145 HG23 ILE 100 3HG2 ILE 100 28.275 16.502 6.810 146 HD11 ILE 100 3HD1 ILE 100 25.528 18.646 7.127 147 HD12 ILE 100 1HD1 ILE 100 24.858 19.987 6.166 148 HD13 ILE 100 2HD1 ILE 100 26.464 20.146 6.917 149 H SER 101 H SER 101 29.250 18.878 8.348 150 HA SER 101 HA SER 101 31.781 17.367 7.656 151 HB2 SER 101 2HB SER 101 32.248 19.375 8.957 152 HB3 SER 101 1HB SER 101 31.051 18.897 10.180 153 HG SER 101 HG SER 101 32.870 16.932 9.927 154 H ALA 102 H ALA 102 32.262 15.430 8.830 155 HA ALA 102 HA ALA 102 30.313 13.582 9.153 156 HB1 ALA 102 3HB ALA 102 32.738 13.188 9.299 157 HB2 ALA 102 1HB ALA 102 31.909 12.441 10.686 158 HB3 ALA 102 2HB ALA 102 32.785 13.976 10.893 159 H ALA 103 H ALA 103 31.404 15.777 11.542 160 HA ALA 103 HA ALA 103 29.791 14.899 13.775 161 HB1 ALA 103 3HB ALA 103 31.546 16.534 14.147 162 HB2 ALA 103 1HB ALA 103 29.986 17.176 14.715 163 HB3 ALA 103 2HB ALA 103 30.671 17.738 13.171 164 H GLU 104 H GLU 104 29.022 17.340 11.241 165 HA GLU 104 HA GLU 104 26.378 17.810 12.228 166 HB2 GLU 104 2HB GLU 104 27.995 18.750 10.176 167 HB3 GLU 104 1HB GLU 104 26.601 17.995 9.377 168 HG2 GLU 104 2HG GLU 104 25.096 19.547 10.223 169 HG3 GLU 104 1HG GLU 104 26.114 19.931 11.633 170 H LEU 105 H LEU 105 27.752 15.299 9.999 171 HA LEU 105 HA LEU 105 25.264 14.279 9.259 172 HB2 LEU 105 2HB LEU 105 27.816 13.463 8.918 173 HB3 LEU 105 1HB LEU 105 27.232 12.252 10.078 174 HG LEU 105 HG LEU 105 26.984 11.510 7.786 175 HD11 LEU 105 1HD1 LEU 105 24.622 10.852 7.776 176 HD12 LEU 105 2HD1 LEU 105 24.306 12.006 9.093 177 HD13 LEU 105 3HD1 LEU 105 25.395 10.624 9.362 178 HD21 LEU 105 3HD2 LEU 105 25.190 13.909 7.386 179 HD22 LEU 105 1HD2 LEU 105 25.388 12.566 6.236 180 HD23 LEU 105 2HD2 LEU 105 26.775 13.609 6.633 181 H ARG 106 H ARG 106 27.095 13.514 12.183 182 HA ARG 106 HA ARG 106 25.029 12.043 13.455 183 HB2 ARG 106 2HB ARG 106 27.150 12.083 14.482 184 HB3 ARG 106 1HB ARG 106 27.097 13.847 14.693 185 HG2 ARG 106 2HG ARG 106 25.242 13.607 16.290 186 HG3 ARG 106 1HG ARG 106 25.284 11.842 16.075 187 HD2 ARG 106 2HD ARG 106 27.412 11.667 17.090 188 HD3 ARG 106 1HD ARG 106 27.686 13.423 16.994 189 HE ARG 106 HE ARG 106 25.348 13.066 18.397 190 HH11 ARG 106 1HH2 ARG 106 28.759 12.060 18.429 191 HH12 ARG 106 2HH2 ARG 106 29.005 11.891 20.083 192 HH21 ARG 106 1HH1 ARG 106 25.663 13.114 20.806 193 HH22 ARG 106 2HH1 ARG 106 27.140 12.574 21.549 194 H HIS 107 H HIS 107 25.114 15.449 12.910 195 HA HIS 107 HA HIS 107 22.983 16.035 14.820 196 HB2 HIS 107 2HB HIS 107 24.385 17.876 13.956 197 HB3 HIS 107 1HB HIS 107 23.700 17.615 12.336 198 HD1 HIS 107 HD1 HIS 107 23.249 19.703 15.106 199 HD2 HIS 107 HD2 HIS 107 20.643 17.740 12.485 200 HE1 HIS 107 HE1 HIS 107 20.937 20.867 15.372 201 H VAL 108 H VAL 108 23.135 15.505 11.283 202 HA VAL 108 HA VAL 108 20.269 15.553 11.070 203 HB VAL 108 HB VAL 108 20.378 14.765 8.906 204 HG11 VAL 108 1HG1 VAL 108 22.209 16.079 7.883 205 HG12 VAL 108 2HG1 VAL 108 22.975 16.220 9.484 206 HG13 VAL 108 3HG1 VAL 108 21.380 16.954 9.194 207 HG21 VAL 108 3HG2 VAL 108 23.148 13.634 9.364 208 HG22 VAL 108 1HG2 VAL 108 22.288 13.706 7.807 209 HG23 VAL 108 2HG2 VAL 108 21.650 12.702 9.131 210 H MET 109 H MET 109 22.512 13.014 11.851 211 HA MET 109 HA MET 109 20.611 10.914 12.021 212 HB2 MET 109 2HB MET 109 23.093 11.271 13.695 213 HB3 MET 109 1HB MET 109 22.131 9.784 13.562 214 HG2 MET 109 2HG MET 109 23.961 11.066 11.568 215 HG3 MET 109 1HG MET 109 23.841 9.369 12.079 216 HE1 MET 109 3HE MET 109 21.872 7.716 11.283 217 HE2 MET 109 1HE MET 109 20.571 8.213 10.174 218 HE3 MET 109 2HE MET 109 20.651 8.899 11.814 219 H THR 110 H THR 110 21.550 13.310 14.352 220 HA THR 110 HA THR 110 19.889 12.354 16.499 221 HB THR 110 HB THR 110 20.749 15.184 15.888 222 HG1 THR 110 HG1 THR 110 22.345 14.830 17.123 223 HG21 THR 110 3HG2 THR 110 18.743 15.251 17.292 224 HG22 THR 110 1HG2 THR 110 20.181 15.720 18.230 225 HG23 THR 110 2HG2 THR 110 19.481 14.095 18.427 226 H ASN 111 H ASN 111 19.267 14.612 13.816 227 HA ASN 111 HA ASN 111 16.559 15.144 14.478 228 HB2 ASN 111 2HB ASN 111 17.944 16.389 12.809 229 HB3 ASN 111 1HB ASN 111 17.812 14.992 11.713 230 HD21 ASN 111 1HD2 ASN 111 15.755 14.309 10.999 231 HD22 ASN 111 2HD2 ASN 111 14.393 15.355 10.936 232 H LEU 112 H LEU 112 18.101 12.629 12.630 233 HA LEU 112 HA LEU 112 15.742 11.360 11.621 234 HB2 LEU 112 2HB LEU 112 18.640 10.723 11.876 235 HB3 LEU 112 1HB LEU 112 17.524 9.370 11.615 236 HG LEU 112 HG LEU 112 18.731 10.332 9.625 237 HD11 LEU 112 1HD1 LEU 112 16.801 9.968 8.135 238 HD12 LEU 112 2HD1 LEU 112 15.727 10.024 9.554 239 HD13 LEU 112 3HD1 LEU 112 16.952 8.739 9.414 240 HD21 LEU 112 3HD2 LEU 112 16.666 12.532 9.793 241 HD22 LEU 112 1HD2 LEU 112 17.684 12.161 8.381 242 HD23 LEU 112 2HD2 LEU 112 18.433 12.710 9.899 243 H GLY 113 H GLY 113 16.966 11.603 14.739 244 HA2 GLY 113 2HA GLY 113 15.643 10.752 16.598 245 HA3 GLY 113 1HA GLY 113 15.076 9.442 15.537 246 H GLU 114 H GLU 114 17.657 8.905 14.402 247 HA GLU 114 HA GLU 114 18.696 7.359 16.696 248 HB2 GLU 114 2HB GLU 114 18.664 6.756 13.723 249 HB3 GLU 114 1HB GLU 114 19.474 5.760 14.952 250 HG2 GLU 114 2HG GLU 114 16.498 6.385 14.920 251 HG3 GLU 114 1HG GLU 114 17.228 4.894 14.285 252 H LYS 115 H LYS 115 20.451 7.978 17.430 253 HA LYS 115 HA LYS 115 22.238 9.670 15.693 254 HB2 LYS 115 2HB LYS 115 22.424 9.144 18.683 255 HB3 LYS 115 1HB LYS 115 23.425 10.279 17.748 256 HG2 LYS 115 2HG LYS 115 21.569 11.688 17.288 257 HG3 LYS 115 1HG LYS 115 20.410 10.467 17.859 258 HD2 LYS 115 2HD LYS 115 20.742 12.336 19.455 259 HD3 LYS 115 1HD LYS 115 21.143 10.742 20.131 260 HE2 LYS 115 2HE LYS 115 23.540 11.187 19.818 261 HE3 LYS 115 1HE LYS 115 23.163 12.769 19.088 262 HZ1 LYS 115 3HZ LYS 115 22.136 11.925 21.714 263 HZ2 LYS 115 1HZ LYS 115 22.144 13.476 21.049 264 HZ3 LYS 115 2HZ LYS 115 23.595 12.756 21.600 265 H LEU 116 H LEU 116 24.090 8.907 14.883 266 HA LEU 116 HA LEU 116 24.789 6.225 15.901 267 HB2 LEU 116 2HB LEU 116 25.348 7.781 13.402 268 HB3 LEU 116 1HB LEU 116 26.413 6.441 13.874 269 HG LEU 116 HG LEU 116 24.813 5.665 12.300 270 HD11 LEU 116 1HD1 LEU 116 23.747 3.816 13.523 271 HD12 LEU 116 2HD1 LEU 116 24.151 4.625 15.056 272 HD13 LEU 116 3HD1 LEU 116 25.450 4.069 13.974 273 HD21 LEU 116 3HD2 LEU 116 22.595 6.605 14.116 274 HD22 LEU 116 1HD2 LEU 116 22.395 5.582 12.672 275 HD23 LEU 116 2HD2 LEU 116 23.012 7.243 12.506 276 H THR 117 H THR 117 26.982 5.704 16.276 277 HA THR 117 HA THR 117 27.948 7.774 18.141 278 HB THR 117 HB THR 117 29.521 6.135 18.952 279 HG1 THR 117 HG1 THR 117 28.541 4.148 17.222 280 HG21 THR 117 3HG2 THR 117 27.274 6.103 19.871 281 HG22 THR 117 1HG2 THR 117 27.928 4.449 19.788 282 HG23 THR 117 2HG2 THR 117 26.735 4.996 18.586 283 H ASP 118 H ASP 118 30.386 8.150 18.354 284 HA ASP 118 HA ASP 118 31.178 9.507 16.094 285 HB2 ASP 118 2HB ASP 118 32.888 8.565 18.402 286 HB3 ASP 118 1HB ASP 118 33.350 9.801 17.208 287 H GLU 119 H GLU 119 31.694 6.128 16.751 288 HA GLU 119 HA GLU 119 33.863 5.640 14.911 289 HB2 GLU 119 2HB GLU 119 32.565 4.199 16.778 290 HB3 GLU 119 1HB GLU 119 31.663 3.665 15.345 291 HG2 GLU 119 2HG GLU 119 34.646 3.378 15.804 292 HG3 GLU 119 1HG GLU 119 33.425 2.086 15.868 293 H GLU 120 H GLU 120 30.396 5.278 14.823 294 HA GLU 120 HA GLU 120 30.121 4.670 12.097 295 HB2 GLU 120 2HB GLU 120 28.272 6.134 13.997 296 HB3 GLU 120 1HB GLU 120 27.793 5.480 12.415 297 HG2 GLU 120 2HG GLU 120 29.136 3.584 14.274 298 HG3 GLU 120 1HG GLU 120 27.502 4.122 14.729 299 H VAL 121 H VAL 121 30.346 7.702 13.738 300 HA VAL 121 HA VAL 121 29.496 9.429 11.589 301 HB VAL 121 HB VAL 121 31.414 9.905 13.867 302 HG11 VAL 121 1HG1 VAL 121 30.960 12.289 13.591 303 HG12 VAL 121 2HG1 VAL 121 30.037 11.943 12.109 304 HG13 VAL 121 3HG1 VAL 121 31.784 11.608 12.168 305 HG21 VAL 121 3HG2 VAL 121 28.468 10.565 13.511 306 HG22 VAL 121 1HG2 VAL 121 29.472 11.024 14.908 307 HG23 VAL 121 2HG2 VAL 121 29.147 9.307 14.572 308 H ASP 122 H ASP 122 32.648 7.915 12.296 309 HA ASP 122 HA ASP 122 33.974 9.195 10.118 310 HB2 ASP 122 2HB ASP 122 34.476 6.673 11.717 311 HB3 ASP 122 1HB ASP 122 35.531 7.193 10.385 312 H GLU 123 H GLU 123 32.301 6.097 10.544 313 HA GLU 123 HA GLU 123 32.480 5.292 7.799 314 HB2 GLU 123 2HB GLU 123 31.660 3.766 9.530 315 HB3 GLU 123 1HB GLU 123 30.190 4.749 9.705 316 HG2 GLU 123 2HG GLU 123 29.781 4.308 7.209 317 HG3 GLU 123 1HG GLU 123 31.058 3.078 7.328 318 H MET 124 H MET 124 30.532 7.670 9.329 319 HA MET 124 HA MET 124 28.541 7.948 7.278 320 HB2 MET 124 2HB MET 124 29.552 10.027 9.233 321 HB3 MET 124 1HB MET 124 28.178 10.247 8.129 322 HG2 MET 124 2HG MET 124 28.362 8.139 10.292 323 HG3 MET 124 1HG MET 124 27.486 9.680 10.424 324 HE1 MET 124 3HE MET 124 26.539 6.685 10.845 325 HE2 MET 124 1HE MET 124 24.868 6.827 10.250 326 HE3 MET 124 2HE MET 124 25.582 8.138 11.220 327 H ILE 125 H ILE 125 31.783 9.315 7.864 328 HA ILE 125 HA ILE 125 31.668 11.070 5.594 329 HB ILE 125 HB ILE 125 34.053 9.667 6.837 330 HG12 ILE 125 2HG1 ILE 125 32.811 12.426 7.005 331 HG13 ILE 125 1HG1 ILE 125 33.073 11.259 8.319 332 HG21 ILE 125 1HG2 ILE 125 35.430 11.250 5.519 333 HG22 ILE 125 2HG2 ILE 125 33.965 11.861 4.714 334 HG23 ILE 125 3HG2 ILE 125 34.492 10.182 4.447 335 HD11 ILE 125 3HD1 ILE 125 35.513 11.575 8.119 336 HD12 ILE 125 1HD1 ILE 125 34.683 13.115 8.444 337 HD13 ILE 125 2HD1 ILE 125 35.254 12.742 6.800 338 H ARG 126 H ARG 126 32.634 7.646 5.969 339 HA ARG 126 HA ARG 126 33.256 7.360 3.198 340 HB2 ARG 126 2HB ARG 126 33.986 5.822 4.863 341 HB3 ARG 126 1HB ARG 126 32.316 5.356 5.231 342 HG2 ARG 126 2HG ARG 126 33.504 4.805 2.529 343 HG3 ARG 126 1HG ARG 126 33.826 3.743 3.916 344 HD2 ARG 126 2HD ARG 126 31.944 2.649 3.416 345 HD3 ARG 126 1HD ARG 126 31.039 4.100 3.906 346 HE ARG 126 HE ARG 126 31.854 4.621 1.349 347 HH11 ARG 126 1HH2 ARG 126 29.609 2.784 3.323 348 HH12 ARG 126 2HH2 ARG 126 28.442 2.522 2.137 349 HH21 ARG 126 1HH1 ARG 126 30.411 3.849 -0.516 350 HH22 ARG 126 2HH1 ARG 126 28.965 2.995 -0.138 351 H GLU 127 H GLU 127 30.207 7.101 4.826 352 HA GLU 127 HA GLU 127 28.901 5.936 2.484 353 HB2 GLU 127 2HB GLU 127 28.250 5.515 4.888 354 HB3 GLU 127 1HB GLU 127 27.540 7.142 4.900 355 HG2 GLU 127 2HG GLU 127 25.805 5.470 4.561 356 HG3 GLU 127 1HG GLU 127 25.982 6.474 3.104 357 H ALA 128 H ALA 128 29.345 9.085 3.831 358 HA ALA 128 HA ALA 128 27.345 10.226 2.001 359 HB1 ALA 128 3HB ALA 128 27.358 11.056 4.275 360 HB2 ALA 128 1HB ALA 128 27.824 12.354 3.149 361 HB3 ALA 128 2HB ALA 128 29.066 11.530 4.122 362 H ASP 129 H ASP 129 30.712 9.938 2.385 363 HA ASP 129 HA ASP 129 31.386 11.884 0.346 364 HB2 ASP 129 2HB ASP 129 32.828 11.586 2.356 365 HB3 ASP 129 1HB ASP 129 33.259 9.959 1.778 366 H ILE 130 H ILE 130 30.631 11.315 -1.427 367 HA ILE 130 HA ILE 130 31.307 8.621 -2.582 368 HB ILE 130 HB ILE 130 29.168 10.581 -3.402 369 HG12 ILE 130 2HG1 ILE 130 27.820 8.391 -3.261 370 HG13 ILE 130 1HG1 ILE 130 29.232 7.731 -2.414 371 HG21 ILE 130 1HG2 ILE 130 28.562 9.031 -5.239 372 HG22 ILE 130 2HG2 ILE 130 30.013 8.058 -4.896 373 HG23 ILE 130 3HG2 ILE 130 30.181 9.727 -5.491 374 HD11 ILE 130 3HD1 ILE 130 28.948 9.382 -0.628 375 HD12 ILE 130 1HD1 ILE 130 27.488 8.388 -0.848 376 HD13 ILE 130 2HD1 ILE 130 27.534 10.054 -1.474 377 H ASP 131 H ASP 131 31.886 12.011 -2.996 378 HA ASP 131 HA ASP 131 33.116 11.796 -5.580 379 HB2 ASP 131 2HB ASP 131 33.564 14.155 -5.305 380 HB3 ASP 131 1HB ASP 131 31.870 13.781 -4.917 381 H GLY 132 H GLY 132 34.151 11.936 -2.243 382 HA2 GLY 132 2HA GLY 132 36.142 10.848 -1.398 383 HA3 GLY 132 1HA GLY 132 36.678 10.584 -3.071 384 H ASP 133 H ASP 133 35.701 13.427 -1.077 385 HA ASP 133 HA ASP 133 38.319 14.605 -1.815 386 HB2 ASP 133 2HB ASP 133 37.260 16.760 -1.746 387 HB3 ASP 133 1HB ASP 133 36.193 15.670 -2.661 388 H GLY 134 H GLY 134 36.639 13.386 0.820 389 HA2 GLY 134 2HA GLY 134 37.656 13.041 3.000 390 HA3 GLY 134 1HA GLY 134 38.712 14.430 2.678 391 H GLN 135 H GLN 135 35.282 14.743 1.998 392 HA GLN 135 HA GLN 135 34.593 16.031 4.522 393 HB2 GLN 135 2HB GLN 135 34.923 17.501 1.879 394 HB3 GLN 135 1HB GLN 135 33.896 18.094 3.202 395 HG2 GLN 135 2HG GLN 135 35.747 18.455 4.629 396 HG3 GLN 135 1HG GLN 135 36.827 17.473 3.612 397 HE21 GLN 135 1HE2 GLN 135 36.346 18.362 1.096 398 HE22 GLN 135 2HE2 GLN 135 36.843 20.018 0.956 399 H VAL 136 H VAL 136 32.337 16.839 4.317 400 HA VAL 136 HA VAL 136 30.933 14.964 2.433 401 HB VAL 136 HB VAL 136 30.053 15.955 5.160 402 HG11 VAL 136 1HG1 VAL 136 28.233 14.313 4.959 403 HG12 VAL 136 2HG1 VAL 136 28.763 13.956 3.298 404 HG13 VAL 136 3HG1 VAL 136 28.167 15.581 3.711 405 HG21 VAL 136 3HG2 VAL 136 31.117 13.221 4.410 406 HG22 VAL 136 1HG2 VAL 136 30.394 13.657 5.977 407 HG23 VAL 136 2HG2 VAL 136 31.908 14.430 5.448 408 H ASN 137 H ASN 137 30.018 16.080 0.856 409 HA ASN 137 HA ASN 137 29.193 18.828 1.682 410 HB2 ASN 137 2HB ASN 137 28.949 19.364 -0.814 411 HB3 ASN 137 1HB ASN 137 30.583 19.197 -0.134 412 HD21 ASN 137 1HD2 ASN 137 29.064 18.504 -2.976 413 HD22 ASN 137 2HD2 ASN 137 29.843 16.888 -3.132 414 H TYR 138 H TYR 138 27.481 19.800 0.212 415 HA TYR 138 HA TYR 138 24.993 18.527 1.035 416 HB2 TYR 138 2HB TYR 138 24.906 20.898 0.895 417 HB3 TYR 138 1HB TYR 138 25.499 20.897 -0.781 418 HD1 TYR 138 HD2 TYR 138 22.682 19.365 1.226 419 HD2 TYR 138 HD1 TYR 138 23.954 21.230 -2.480 420 HE1 TYR 138 HE2 TYR 138 20.318 19.349 0.408 421 HE2 TYR 138 HE1 TYR 138 21.590 21.191 -3.313 422 HH TYR 138 HH TYR 138 19.085 19.674 -1.369 423 H GLU 139 H GLU 139 26.695 18.811 -1.968 424 HA GLU 139 HA GLU 139 24.680 17.672 -3.596 425 HB2 GLU 139 2HB GLU 139 27.600 17.117 -4.124 426 HB3 GLU 139 1HB GLU 139 26.267 17.260 -5.290 427 HG2 GLU 139 2HG GLU 139 27.705 19.456 -3.784 428 HG3 GLU 139 1HG GLU 139 27.436 19.288 -5.536 429 H GLU 140 H GLU 140 27.386 16.215 -1.973 430 HA GLU 140 HA GLU 140 26.801 13.512 -2.349 431 HB2 GLU 140 2HB GLU 140 28.268 15.177 -0.345 432 HB3 GLU 140 1HB GLU 140 28.121 13.416 -0.151 433 HG2 GLU 140 2HG GLU 140 29.063 13.221 -2.519 434 HG3 GLU 140 1HG GLU 140 29.477 14.947 -2.381 435 H PHE 141 H PHE 141 25.724 15.749 0.139 436 HA PHE 141 HA PHE 141 24.296 14.005 1.739 437 HB2 PHE 141 2HB PHE 141 24.430 16.615 1.722 438 HB3 PHE 141 1HB PHE 141 22.916 16.510 0.796 439 HD1 PHE 141 HD1 PHE 141 24.590 15.654 3.993 440 HD2 PHE 141 HD2 PHE 141 20.827 15.932 1.834 441 HE1 PHE 141 HE1 PHE 141 23.345 15.479 6.154 442 HE2 PHE 141 HE2 PHE 141 19.580 15.776 4.003 443 HZ PHE 141 HZ PHE 141 20.842 15.566 6.141 444 H VAL 142 H VAL 142 23.402 15.225 -1.320 445 HA VAL 142 HA VAL 142 20.833 13.774 -1.553 446 HB VAL 142 HB VAL 142 22.508 15.032 -3.731 447 HG11 VAL 142 1HG1 VAL 142 20.437 15.096 -5.058 448 HG12 VAL 142 2HG1 VAL 142 19.599 14.185 -3.779 449 HG13 VAL 142 3HG1 VAL 142 20.945 13.434 -4.671 450 HG21 VAL 142 3HG2 VAL 142 20.203 16.205 -2.155 451 HG22 VAL 142 1HG2 VAL 142 20.969 16.952 -3.577 452 HG23 VAL 142 2HG2 VAL 142 21.910 16.704 -2.087 453 H GLN 143 H GLN 143 24.085 13.452 -2.940 454 HA GLN 143 HA GLN 143 23.555 11.110 -4.360 455 HB2 GLN 143 2HB GLN 143 25.523 12.624 -4.536 456 HB3 GLN 143 1HB GLN 143 26.192 11.826 -3.097 457 HG2 GLN 143 2HG GLN 143 27.265 10.673 -4.737 458 HG3 GLN 143 1HG GLN 143 25.833 9.649 -4.504 459 HE21 GLN 143 1HE2 GLN 143 26.756 8.962 -6.516 460 HE22 GLN 143 2HE2 GLN 143 26.589 9.868 -8.005 461 H MET 144 H MET 144 24.144 11.445 -0.965 462 HA MET 144 HA MET 144 24.621 8.639 -0.473 463 HB2 MET 144 2HB MET 144 25.293 10.571 1.004 464 HB3 MET 144 1HB MET 144 23.582 10.741 1.448 465 HG2 MET 144 2HG MET 144 23.791 8.213 2.103 466 HG3 MET 144 1HG MET 144 25.531 8.570 2.148 467 HE1 MET 144 3HE MET 144 25.504 11.623 3.114 468 HE2 MET 144 1HE MET 144 24.443 11.997 4.493 469 HE3 MET 144 2HE MET 144 23.745 11.749 2.875 470 H MET 145 H MET 145 21.867 10.797 -0.004 471 HA MET 145 HA MET 145 20.254 8.436 0.755 472 HB2 MET 145 2HB MET 145 19.203 11.216 0.231 473 HB3 MET 145 1HB MET 145 18.313 9.865 0.966 474 HG2 MET 145 2HG MET 145 20.052 9.814 2.785 475 HG3 MET 145 1HG MET 145 20.732 11.305 2.091 476 HE1 MET 145 3HE MET 145 20.370 11.821 4.749 477 HE2 MET 145 1HE MET 145 19.283 13.228 4.830 478 HE3 MET 145 2HE MET 145 20.495 13.114 3.531 479 H THR 146 H THR 146 20.130 10.699 -1.920 480 HA THR 146 HA THR 146 18.142 9.279 -3.436 481 HB THR 146 HB THR 146 20.354 11.091 -4.413 482 HG1 THR 146 HG1 THR 146 17.732 11.661 -3.618 483 HG21 THR 146 3HG2 THR 146 19.297 9.890 -6.260 484 HG22 THR 146 1HG2 THR 146 18.853 11.613 -6.289 485 HG23 THR 146 2HG2 THR 146 17.689 10.404 -5.694 486 H ALA 147 H ALA 147 21.702 9.463 -3.800 487 HA ALA 147 HA ALA 147 23.131 8.067 -4.941 488 HB1 ALA 147 3HB ALA 147 22.763 6.710 -2.956 489 HB2 ALA 147 1HB ALA 147 22.942 5.663 -4.384 490 HB3 ALA 147 2HB ALA 147 21.328 5.963 -3.697 491 H LYS 148 H LYS 148 22.607 5.431 -6.185 492 HA LYS 148 HA LYS 148 20.465 5.698 -8.010 493 HB2 LYS 148 2HB LYS 148 23.146 6.665 -8.867 494 HB3 LYS 148 1HB LYS 148 22.307 5.563 -9.979 495 HG2 LYS 148 2HG LYS 148 21.003 7.213 -10.722 496 HG3 LYS 148 1HG LYS 148 20.482 7.610 -9.068 497 HD2 LYS 148 2HD LYS 148 21.540 9.552 -10.145 498 HD3 LYS 148 1HD LYS 148 22.501 8.991 -8.758 499 HE2 LYS 148 2HE LYS 148 23.928 7.689 -10.395 500 HE3 LYS 148 1HE LYS 148 23.058 8.518 -11.707 501 HZ1 LYS 148 3HZ LYS 148 25.094 9.673 -11.163 502 HZ2 LYS 148 1HZ LYS 148 24.639 9.800 -9.554 503 HZ3 LYS 148 2HZ LYS 148 23.772 10.648 -10.708 504 HC1 HLT 150 H4 HLT 150 23.087 9.060 7.206 Start of MODEL 4 1 H1 GLU 82 1H GLU 82 11.749 18.053 -3.184 2 H2 GLU 82 2H GLU 82 12.865 19.255 -2.632 3 H3 GLU 82 3H GLU 82 12.672 17.809 -1.770 4 HA GLU 82 HA GLU 82 10.594 19.865 -2.074 5 HB2 GLU 82 2HB GLU 82 10.755 17.300 -0.446 6 HB3 GLU 82 1HB GLU 82 9.394 18.445 -0.492 7 HG2 GLU 82 2HG GLU 82 9.035 17.960 -2.871 8 HG3 GLU 82 1HG GLU 82 10.439 16.868 -2.877 9 H GLU 83 H GLU 83 10.132 20.631 0.168 10 HA GLU 83 HA GLU 83 12.463 21.659 1.485 11 HB2 GLU 83 2HB GLU 83 11.010 22.507 3.179 12 HB3 GLU 83 1HB GLU 83 10.327 22.832 1.574 13 HG2 GLU 83 2HG GLU 83 9.347 20.712 3.527 14 HG3 GLU 83 1HG GLU 83 8.540 22.253 3.135 15 H GLU 84 H GLU 84 10.350 18.841 2.084 16 HA GLU 84 HA GLU 84 11.288 18.108 4.545 17 HB2 GLU 84 2HB GLU 84 10.647 16.598 2.086 18 HB3 GLU 84 1HB GLU 84 10.988 15.727 3.736 19 HG2 GLU 84 2HG GLU 84 8.930 17.898 3.293 20 HG3 GLU 84 1HG GLU 84 8.541 16.199 2.929 21 H ILE 85 H ILE 85 12.710 16.935 1.585 22 HA ILE 85 HA ILE 85 15.115 16.146 3.039 23 HB ILE 85 HB ILE 85 16.094 15.534 0.859 24 HG12 ILE 85 2HG1 ILE 85 13.550 16.770 -0.244 25 HG13 ILE 85 1HG1 ILE 85 15.219 17.280 -0.575 26 HG21 ILE 85 1HG2 ILE 85 14.355 13.816 0.386 27 HG22 ILE 85 2HG2 ILE 85 13.187 14.750 1.353 28 HG23 ILE 85 3HG2 ILE 85 14.617 14.032 2.133 29 HD11 ILE 85 3HD1 ILE 85 15.641 15.161 -1.753 30 HD12 ILE 85 1HD1 ILE 85 14.275 16.048 -2.471 31 HD13 ILE 85 2HD1 ILE 85 13.971 14.643 -1.421 32 H ARG 86 H ARG 86 14.491 18.856 0.949 33 HA ARG 86 HA ARG 86 17.273 19.766 0.958 34 HB2 ARG 86 2HB ARG 86 15.555 19.981 -0.905 35 HB3 ARG 86 1HB ARG 86 14.850 21.296 0.050 36 HG2 ARG 86 2HG ARG 86 17.575 21.283 -1.230 37 HG3 ARG 86 1HG ARG 86 16.123 22.115 -1.819 38 HD2 ARG 86 2HD ARG 86 16.174 23.647 0.046 39 HD3 ARG 86 1HD ARG 86 17.528 22.760 0.785 40 HE ARG 86 HE ARG 86 18.407 23.468 -1.767 41 HH11 ARG 86 1HH2 ARG 86 17.373 24.926 1.229 42 HH12 ARG 86 2HH2 ARG 86 18.255 26.400 1.028 43 HH21 ARG 86 1HH1 ARG 86 19.885 25.240 -1.908 44 HH22 ARG 86 2HH1 ARG 86 19.841 26.531 -0.790 45 H GLU 87 H GLU 87 14.240 20.962 2.297 46 HA GLU 87 HA GLU 87 15.656 23.200 3.542 47 HB2 GLU 87 2HB GLU 87 13.391 23.578 2.814 48 HB3 GLU 87 1HB GLU 87 12.801 22.312 3.911 49 HG2 GLU 87 2HG GLU 87 13.654 23.676 5.835 50 HG3 GLU 87 1HG GLU 87 14.027 24.975 4.677 51 H ALA 88 H ALA 88 14.409 19.986 4.652 52 HA ALA 88 HA ALA 88 15.188 20.611 7.355 53 HB1 ALA 88 3HB ALA 88 13.938 18.550 6.956 54 HB2 ALA 88 1HB ALA 88 15.487 18.218 7.768 55 HB3 ALA 88 2HB ALA 88 15.306 17.889 6.028 56 H PHE 89 H PHE 89 16.917 19.334 4.498 57 HA PHE 89 HA PHE 89 19.456 19.281 5.749 58 HB2 PHE 89 2HB PHE 89 19.099 18.375 3.515 59 HB3 PHE 89 1HB PHE 89 18.859 20.018 2.875 60 HD1 PHE 89 HD2 PHE 89 21.257 17.728 4.543 61 HD2 PHE 89 HD1 PHE 89 20.702 21.485 2.441 62 HE1 PHE 89 HE2 PHE 89 23.737 17.973 4.304 63 HE2 PHE 89 HE1 PHE 89 23.191 21.767 2.270 64 HZ PHE 89 HZ PHE 89 24.677 19.968 3.155 65 H ARG 90 H ARG 90 17.617 22.026 4.590 66 HA ARG 90 HA ARG 90 19.866 23.808 4.884 67 HB2 ARG 90 2HB ARG 90 17.640 24.271 3.723 68 HB3 ARG 90 1HB ARG 90 17.018 24.655 5.344 69 HG2 ARG 90 2HG ARG 90 19.543 25.993 4.906 70 HG3 ARG 90 1HG ARG 90 18.415 26.359 3.581 71 HD2 ARG 90 2HD ARG 90 17.734 26.585 6.525 72 HD3 ARG 90 1HD ARG 90 18.275 27.940 5.510 73 HE ARG 90 HE ARG 90 15.972 26.574 4.398 74 HH11 ARG 90 1HH2 ARG 90 17.196 28.604 6.964 75 HH12 ARG 90 2HH2 ARG 90 15.773 29.499 7.256 76 HH21 ARG 90 1HH1 ARG 90 13.983 27.886 4.577 77 HH22 ARG 90 2HH1 ARG 90 13.859 29.144 5.723 78 H VAL 91 H VAL 91 17.483 22.586 7.157 79 HA VAL 91 HA VAL 91 18.520 24.261 9.323 80 HB VAL 91 HB VAL 91 16.698 21.879 9.170 81 HG11 VAL 91 1HG1 VAL 91 16.202 22.057 11.563 82 HG12 VAL 91 2HG1 VAL 91 17.535 23.220 11.756 83 HG13 VAL 91 3HG1 VAL 91 17.881 21.542 11.272 84 HG21 VAL 91 3HG2 VAL 91 16.336 24.781 9.966 85 HG22 VAL 91 1HG2 VAL 91 15.055 23.546 9.985 86 HG23 VAL 91 2HG2 VAL 91 15.819 24.012 8.446 87 H PHE 92 H PHE 92 19.226 21.216 7.882 88 HA PHE 92 HA PHE 92 20.749 20.089 9.968 89 HB2 PHE 92 2HB PHE 92 20.970 19.658 6.980 90 HB3 PHE 92 1HB PHE 92 21.835 18.700 8.201 91 HD1 PHE 92 HD1 PHE 92 19.005 19.254 9.997 92 HD2 PHE 92 HD2 PHE 92 20.216 17.289 6.323 93 HE1 PHE 92 HE1 PHE 92 17.013 17.748 10.139 94 HE2 PHE 92 HE2 PHE 92 18.251 15.745 6.495 95 HZ PHE 92 HZ PHE 92 16.674 15.982 8.416 96 H ASP 93 H ASP 93 21.730 21.961 7.150 97 HA ASP 93 HA ASP 93 24.400 22.436 8.255 98 HB2 ASP 93 2HB ASP 93 23.901 22.346 5.772 99 HB3 ASP 93 1HB ASP 93 23.041 23.891 5.972 100 H LYS 94 H LYS 94 23.752 23.049 10.192 101 HA LYS 94 HA LYS 94 21.794 25.046 10.730 102 HB2 LYS 94 2HB LYS 94 22.643 23.481 12.401 103 HB3 LYS 94 1HB LYS 94 24.209 24.318 12.395 104 HG2 LYS 94 2HG LYS 94 23.152 25.076 14.323 105 HG3 LYS 94 1HG LYS 94 22.932 26.388 13.147 106 HD2 LYS 94 2HD LYS 94 20.710 26.308 13.400 107 HD3 LYS 94 1HD LYS 94 20.681 24.563 13.043 108 HE2 LYS 94 2HE LYS 94 21.140 23.985 15.314 109 HE3 LYS 94 1HE LYS 94 21.638 25.645 15.717 110 HZ1 LYS 94 3HZ LYS 94 19.373 26.316 15.161 111 HZ2 LYS 94 1HZ LYS 94 19.525 25.342 16.547 112 HZ3 LYS 94 2HZ LYS 94 18.916 24.681 15.074 113 H ASP 95 H ASP 95 25.185 25.373 9.913 114 HA ASP 95 HA ASP 95 25.050 28.242 10.493 115 HB2 ASP 95 2HB ASP 95 27.452 28.246 9.968 116 HB3 ASP 95 1HB ASP 95 27.014 27.121 11.273 117 H GLY 96 H GLY 96 24.774 26.047 7.838 118 HA2 GLY 96 2HA GLY 96 23.963 26.640 5.716 119 HA3 GLY 96 1HA GLY 96 24.021 28.354 6.186 120 H ASN 97 H ASN 97 26.801 26.302 6.708 121 HA ASN 97 HA ASN 97 28.423 28.139 5.211 122 HB2 ASN 97 2HB ASN 97 30.301 26.571 5.758 123 HB3 ASN 97 1HB ASN 97 29.395 27.207 7.148 124 HD21 ASN 97 1HD2 ASN 97 27.693 24.845 5.351 125 HD22 ASN 97 2HD2 ASN 97 27.941 23.489 6.373 126 H GLY 98 H GLY 98 26.542 25.662 4.085 127 HA2 GLY 98 2HA GLY 98 26.373 24.969 1.797 128 HA3 GLY 98 1HA GLY 98 28.057 25.472 1.548 129 H TYR 99 H TYR 99 28.875 24.061 4.079 130 HA TYR 99 HA TYR 99 29.122 21.455 2.728 131 HB2 TYR 99 2HB TYR 99 31.168 22.819 4.512 132 HB3 TYR 99 1HB TYR 99 31.382 21.326 3.571 133 HD1 TYR 99 HD1 TYR 99 31.558 21.380 1.105 134 HD2 TYR 99 HD2 TYR 99 31.242 24.996 3.490 135 HE1 TYR 99 HE1 TYR 99 32.336 22.742 -0.856 136 HE2 TYR 99 HE2 TYR 99 31.988 26.359 1.522 137 HH TYR 99 HH TYR 99 32.529 26.288 -0.576 138 H ILE 100 H ILE 100 29.287 19.651 3.861 139 HA ILE 100 HA ILE 100 28.063 19.811 6.581 140 HB ILE 100 HB ILE 100 27.999 17.545 4.561 141 HG12 ILE 100 2HG1 ILE 100 26.537 19.606 4.267 142 HG13 ILE 100 1HG1 ILE 100 25.705 18.035 4.324 143 HG21 ILE 100 1HG2 ILE 100 26.510 16.359 6.131 144 HG22 ILE 100 2HG2 ILE 100 26.758 17.638 7.344 145 HG23 ILE 100 3HG2 ILE 100 28.122 16.608 6.844 146 HD11 ILE 100 3HD1 ILE 100 25.155 18.410 6.705 147 HD12 ILE 100 1HD1 ILE 100 24.518 19.720 5.682 148 HD13 ILE 100 2HD1 ILE 100 25.989 19.982 6.650 149 H SER 101 H SER 101 29.045 19.028 8.194 150 HA SER 101 HA SER 101 31.598 17.548 7.568 151 HB2 SER 101 2HB SER 101 32.093 19.601 8.825 152 HB3 SER 101 1HB SER 101 30.936 19.121 10.088 153 HG SER 101 HG SER 101 33.441 18.026 9.431 154 H ALA 102 H ALA 102 32.077 15.783 8.859 155 HA ALA 102 HA ALA 102 30.131 13.853 9.230 156 HB1 ALA 102 3HB ALA 102 32.563 13.469 9.280 157 HB2 ALA 102 1HB ALA 102 31.796 12.753 10.718 158 HB3 ALA 102 2HB ALA 102 32.675 14.296 10.852 159 H ALA 103 H ALA 103 31.302 16.169 11.499 160 HA ALA 103 HA ALA 103 29.704 15.320 13.769 161 HB1 ALA 103 3HB ALA 103 31.498 16.920 14.125 162 HB2 ALA 103 1HB ALA 103 29.955 17.598 14.697 163 HB3 ALA 103 2HB ALA 103 30.644 18.137 13.146 164 H GLU 104 H GLU 104 28.988 17.680 11.198 165 HA GLU 104 HA GLU 104 26.326 18.179 12.186 166 HB2 GLU 104 2HB GLU 104 27.865 19.304 10.298 167 HB3 GLU 104 1HB GLU 104 26.762 18.334 9.299 168 HG2 GLU 104 2HG GLU 104 24.856 19.521 10.042 169 HG3 GLU 104 1HG GLU 104 25.723 20.217 11.433 170 H LEU 105 H LEU 105 27.721 15.553 10.137 171 HA LEU 105 HA LEU 105 25.197 14.576 9.376 172 HB2 LEU 105 2HB LEU 105 27.734 13.759 9.032 173 HB3 LEU 105 1HB LEU 105 27.184 12.592 10.253 174 HG LEU 105 HG LEU 105 26.905 11.722 8.042 175 HD11 LEU 105 1HD1 LEU 105 24.620 10.985 8.087 176 HD12 LEU 105 2HD1 LEU 105 24.177 12.314 9.183 177 HD13 LEU 105 3HD1 LEU 105 25.286 11.037 9.736 178 HD21 LEU 105 3HD2 LEU 105 25.165 14.106 7.437 179 HD22 LEU 105 1HD2 LEU 105 25.344 12.669 6.402 180 HD23 LEU 105 2HD2 LEU 105 26.750 13.709 6.731 181 H ARG 106 H ARG 106 27.015 13.991 12.321 182 HA ARG 106 HA ARG 106 24.956 12.617 13.706 183 HB2 ARG 106 2HB ARG 106 27.121 12.914 14.731 184 HB3 ARG 106 1HB ARG 106 26.824 14.657 14.928 185 HG2 ARG 106 2HG ARG 106 24.955 14.194 16.429 186 HG3 ARG 106 1HG ARG 106 25.173 12.447 16.189 187 HD2 ARG 106 2HD ARG 106 27.661 13.141 17.013 188 HD3 ARG 106 1HD ARG 106 26.675 14.334 17.895 189 HE ARG 106 HE ARG 106 25.410 11.828 17.980 190 HH11 ARG 106 1HH2 ARG 106 28.526 13.195 18.760 191 HH12 ARG 106 2HH2 ARG 106 28.930 12.156 20.053 192 HH21 ARG 106 1HH1 ARG 106 25.848 10.360 19.803 193 HH22 ARG 106 2HH1 ARG 106 27.284 10.523 20.737 194 H HIS 107 H HIS 107 24.983 15.908 12.866 195 HA HIS 107 HA HIS 107 22.763 16.625 14.669 196 HB2 HIS 107 2HB HIS 107 24.197 18.425 13.806 197 HB3 HIS 107 1HB HIS 107 23.638 18.071 12.154 198 HD1 HIS 107 HD1 HIS 107 22.496 19.501 15.378 199 HD2 HIS 107 HD2 HIS 107 21.053 18.856 11.499 200 HE1 HIS 107 HE1 HIS 107 20.240 20.816 15.206 201 H VAL 108 H VAL 108 23.130 15.745 11.224 202 HA VAL 108 HA VAL 108 20.283 15.813 10.812 203 HB VAL 108 HB VAL 108 20.490 14.947 8.751 204 HG11 VAL 108 1HG1 VAL 108 22.506 15.932 7.717 205 HG12 VAL 108 2HG1 VAL 108 23.214 16.131 9.337 206 HG13 VAL 108 3HG1 VAL 108 21.731 17.012 8.900 207 HG21 VAL 108 3HG2 VAL 108 23.050 13.503 9.447 208 HG22 VAL 108 1HG2 VAL 108 22.291 13.575 7.838 209 HG23 VAL 108 2HG2 VAL 108 21.449 12.771 9.184 210 H MET 109 H MET 109 22.460 13.318 11.915 211 HA MET 109 HA MET 109 20.560 11.268 12.209 212 HB2 MET 109 2HB MET 109 22.972 11.836 13.942 213 HB3 MET 109 1HB MET 109 22.031 10.329 13.955 214 HG2 MET 109 2HG MET 109 23.878 11.408 11.847 215 HG3 MET 109 1HG MET 109 23.823 9.795 12.589 216 HE1 MET 109 3HE MET 109 21.881 7.990 12.050 217 HE2 MET 109 1HE MET 109 20.588 8.280 10.861 218 HE3 MET 109 2HE MET 109 20.629 9.214 12.376 219 H THR 110 H THR 110 21.451 13.777 14.380 220 HA THR 110 HA THR 110 19.655 13.175 16.538 221 HB THR 110 HB THR 110 20.470 15.902 15.532 222 HG1 THR 110 HG1 THR 110 22.044 15.737 16.893 223 HG21 THR 110 3HG2 THR 110 18.389 16.136 16.812 224 HG22 THR 110 1HG2 THR 110 19.771 16.789 17.723 225 HG23 THR 110 2HG2 THR 110 19.094 15.200 18.151 226 H ASN 111 H ASN 111 19.070 15.082 13.565 227 HA ASN 111 HA ASN 111 16.315 15.522 14.062 228 HB2 ASN 111 2HB ASN 111 17.708 16.733 12.413 229 HB3 ASN 111 1HB ASN 111 17.790 15.257 11.423 230 HD21 ASN 111 1HD2 ASN 111 15.778 14.330 10.647 231 HD22 ASN 111 2HD2 ASN 111 14.392 15.300 10.352 232 H LEU 112 H LEU 112 18.050 12.874 12.525 233 HA LEU 112 HA LEU 112 15.759 11.488 11.542 234 HB2 LEU 112 2HB LEU 112 18.656 10.937 11.980 235 HB3 LEU 112 1HB LEU 112 17.576 9.545 11.782 236 HG LEU 112 HG LEU 112 18.825 10.308 9.766 237 HD11 LEU 112 1HD1 LEU 112 16.932 9.920 8.235 238 HD12 LEU 112 2HD1 LEU 112 15.814 10.129 9.605 239 HD13 LEU 112 3HD1 LEU 112 16.982 8.785 9.605 240 HD21 LEU 112 3HD2 LEU 112 16.872 12.612 9.709 241 HD22 LEU 112 1HD2 LEU 112 17.913 12.093 8.361 242 HD23 LEU 112 2HD2 LEU 112 18.642 12.708 9.864 243 H GLY 113 H GLY 113 16.846 12.037 14.659 244 HA2 GLY 113 2HA GLY 113 15.467 11.332 16.543 245 HA3 GLY 113 1HA GLY 113 15.011 9.887 15.610 246 H GLU 114 H GLU 114 17.703 9.365 14.643 247 HA GLU 114 HA GLU 114 18.585 8.041 17.134 248 HB2 GLU 114 2HB GLU 114 18.744 7.212 14.215 249 HB3 GLU 114 1HB GLU 114 19.525 6.339 15.555 250 HG2 GLU 114 2HG GLU 114 16.535 6.798 15.171 251 HG3 GLU 114 1HG GLU 114 17.406 5.251 15.041 252 H LYS 115 H LYS 115 20.393 8.628 17.887 253 HA LYS 115 HA LYS 115 22.092 10.339 16.072 254 HB2 LYS 115 2HB LYS 115 22.530 10.040 19.056 255 HB3 LYS 115 1HB LYS 115 23.240 11.244 17.959 256 HG2 LYS 115 2HG LYS 115 20.993 12.221 17.611 257 HG3 LYS 115 1HG LYS 115 20.324 11.047 18.767 258 HD2 LYS 115 2HD LYS 115 21.872 11.962 20.506 259 HD3 LYS 115 1HD LYS 115 22.378 13.207 19.342 260 HE2 LYS 115 2HE LYS 115 20.752 14.349 20.540 261 HE3 LYS 115 1HE LYS 115 19.788 13.699 19.193 262 HZ1 LYS 115 3HZ LYS 115 18.711 13.300 21.313 263 HZ2 LYS 115 1HZ LYS 115 20.098 12.499 21.867 264 HZ3 LYS 115 2HZ LYS 115 19.184 11.832 20.600 265 H LEU 116 H LEU 116 24.026 9.558 15.290 266 HA LEU 116 HA LEU 116 24.741 6.956 16.473 267 HB2 LEU 116 2HB LEU 116 25.489 8.365 13.908 268 HB3 LEU 116 1HB LEU 116 26.177 6.813 14.431 269 HG LEU 116 HG LEU 116 23.207 7.234 14.170 270 HD11 LEU 116 1HD1 LEU 116 23.251 6.176 11.954 271 HD12 LEU 116 2HD1 LEU 116 25.030 6.236 11.965 272 HD13 LEU 116 3HD1 LEU 116 24.088 7.747 11.962 273 HD21 LEU 116 3HD2 LEU 116 24.943 4.751 14.113 274 HD22 LEU 116 1HD2 LEU 116 23.176 4.781 13.903 275 HD23 LEU 116 2HD2 LEU 116 23.897 5.291 15.448 276 H THR 117 H THR 117 27.066 6.500 16.765 277 HA THR 117 HA THR 117 28.010 8.727 18.480 278 HB THR 117 HB THR 117 29.650 7.143 19.348 279 HG1 THR 117 HG1 THR 117 29.484 4.938 18.539 280 HG21 THR 117 3HG2 THR 117 27.420 7.172 20.374 281 HG22 THR 117 1HG2 THR 117 28.105 5.529 20.392 282 HG23 THR 117 2HG2 THR 117 26.853 5.959 19.202 283 H ASP 118 H ASP 118 30.539 8.950 18.551 284 HA ASP 118 HA ASP 118 31.196 10.182 16.153 285 HB2 ASP 118 2HB ASP 118 33.027 9.368 18.421 286 HB3 ASP 118 1HB ASP 118 33.370 10.583 17.170 287 H GLU 119 H GLU 119 31.589 6.901 17.034 288 HA GLU 119 HA GLU 119 33.780 6.174 15.268 289 HB2 GLU 119 2HB GLU 119 32.605 4.997 17.319 290 HB3 GLU 119 1HB GLU 119 31.515 4.373 16.066 291 HG2 GLU 119 2HG GLU 119 34.503 3.965 15.952 292 HG3 GLU 119 1HG GLU 119 33.414 2.868 16.828 293 H GLU 120 H GLU 120 30.288 5.953 15.221 294 HA GLU 120 HA GLU 120 30.001 5.062 12.568 295 HB2 GLU 120 2HB GLU 120 28.134 6.656 14.345 296 HB3 GLU 120 1HB GLU 120 27.665 5.837 12.839 297 HG2 GLU 120 2HG GLU 120 28.959 4.278 15.071 298 HG3 GLU 120 1HG GLU 120 27.226 4.672 15.135 299 H VAL 121 H VAL 121 29.995 8.214 13.981 300 HA VAL 121 HA VAL 121 29.427 9.808 11.678 301 HB VAL 121 HB VAL 121 31.108 10.340 14.117 302 HG11 VAL 121 1HG1 VAL 121 30.837 12.727 13.692 303 HG12 VAL 121 2HG1 VAL 121 30.100 12.361 12.113 304 HG13 VAL 121 3HG1 VAL 121 31.799 11.931 12.423 305 HG21 VAL 121 3HG2 VAL 121 28.268 11.121 13.374 306 HG22 VAL 121 1HG2 VAL 121 29.119 11.606 14.860 307 HG23 VAL 121 2HG2 VAL 121 28.750 9.890 14.565 308 H ASP 122 H ASP 122 32.510 8.320 12.681 309 HA ASP 122 HA ASP 122 33.960 9.498 10.514 310 HB2 ASP 122 2HB ASP 122 34.397 6.898 12.002 311 HB3 ASP 122 1HB ASP 122 35.516 7.576 10.800 312 H GLU 123 H GLU 123 32.179 6.433 10.884 313 HA GLU 123 HA GLU 123 32.445 5.646 8.152 314 HB2 GLU 123 2HB GLU 123 31.538 4.154 9.899 315 HB3 GLU 123 1HB GLU 123 30.056 5.136 9.936 316 HG2 GLU 123 2HG GLU 123 29.730 4.639 7.501 317 HG3 GLU 123 1HG GLU 123 31.135 3.552 7.575 318 H MET 124 H MET 124 30.410 8.075 9.639 319 HA MET 124 HA MET 124 28.670 8.523 7.442 320 HB2 MET 124 2HB MET 124 29.701 10.277 9.643 321 HB3 MET 124 1HB MET 124 28.781 10.979 8.294 322 HG2 MET 124 2HG MET 124 27.420 10.446 10.259 323 HG3 MET 124 1HG MET 124 26.905 9.645 8.763 324 HE1 MET 124 3HE MET 124 27.437 9.638 12.206 325 HE2 MET 124 1HE MET 124 26.591 8.109 12.544 326 HE3 MET 124 2HE MET 124 25.848 9.318 11.470 327 H ILE 125 H ILE 125 31.970 9.724 8.197 328 HA ILE 125 HA ILE 125 32.074 11.427 5.903 329 HB ILE 125 HB ILE 125 34.295 9.850 7.234 330 HG12 ILE 125 2HG1 ILE 125 33.346 12.731 7.298 331 HG13 ILE 125 1HG1 ILE 125 33.347 11.561 8.636 332 HG21 ILE 125 1HG2 ILE 125 35.845 11.289 5.944 333 HG22 ILE 125 2HG2 ILE 125 34.465 12.005 5.077 334 HG23 ILE 125 3HG2 ILE 125 34.858 10.283 4.857 335 HD11 ILE 125 3HD1 ILE 125 35.814 11.553 8.634 336 HD12 ILE 125 1HD1 ILE 125 35.170 13.194 8.883 337 HD13 ILE 125 2HD1 ILE 125 35.817 12.724 7.293 338 H ARG 126 H ARG 126 32.738 7.977 6.358 339 HA ARG 126 HA ARG 126 33.393 7.601 3.599 340 HB2 ARG 126 2HB ARG 126 34.071 6.067 5.236 341 HB3 ARG 126 1HB ARG 126 32.398 5.745 5.738 342 HG2 ARG 126 2HG ARG 126 33.206 5.114 2.943 343 HG3 ARG 126 1HG ARG 126 33.756 4.058 4.262 344 HD2 ARG 126 2HD ARG 126 31.751 3.056 4.399 345 HD3 ARG 126 1HD ARG 126 30.906 4.618 4.498 346 HE ARG 126 HE ARG 126 30.386 4.477 2.327 347 HH11 ARG 126 1HH2 ARG 126 33.101 2.505 3.147 348 HH12 ARG 126 2HH2 ARG 126 33.398 1.707 1.659 349 HH21 ARG 126 1HH1 ARG 126 30.612 3.440 0.160 350 HH22 ARG 126 2HH1 ARG 126 31.884 2.329 -0.183 351 H GLU 127 H GLU 127 30.323 6.774 5.087 352 HA GLU 127 HA GLU 127 29.042 6.017 2.683 353 HB2 GLU 127 2HB GLU 127 28.304 5.284 4.939 354 HB3 GLU 127 1HB GLU 127 27.661 6.914 5.231 355 HG2 GLU 127 2HG GLU 127 26.003 6.659 3.508 356 HG3 GLU 127 1HG GLU 127 26.743 5.149 2.939 357 H ALA 128 H ALA 128 29.471 9.102 4.185 358 HA ALA 128 HA ALA 128 27.518 10.238 2.299 359 HB1 ALA 128 3HB ALA 128 27.376 11.081 4.545 360 HB2 ALA 128 1HB ALA 128 27.901 12.380 3.448 361 HB3 ALA 128 2HB ALA 128 29.085 11.577 4.506 362 H ASP 129 H ASP 129 30.951 10.032 2.738 363 HA ASP 129 HA ASP 129 31.442 11.900 0.575 364 HB2 ASP 129 2HB ASP 129 32.963 11.780 2.543 365 HB3 ASP 129 1HB ASP 129 33.448 10.143 2.040 366 H ILE 130 H ILE 130 30.665 11.202 -1.153 367 HA ILE 130 HA ILE 130 31.424 8.486 -2.182 368 HB ILE 130 HB ILE 130 29.277 10.369 -3.173 369 HG12 ILE 130 2HG1 ILE 130 27.946 8.161 -2.779 370 HG13 ILE 130 1HG1 ILE 130 29.334 7.705 -1.771 371 HG21 ILE 130 1HG2 ILE 130 28.678 8.617 -4.818 372 HG22 ILE 130 2HG2 ILE 130 30.118 7.684 -4.346 373 HG23 ILE 130 3HG2 ILE 130 30.304 9.271 -5.131 374 HD11 ILE 130 3HD1 ILE 130 28.932 9.645 -0.322 375 HD12 ILE 130 1HD1 ILE 130 27.505 8.585 -0.415 376 HD13 ILE 130 2HD1 ILE 130 27.541 10.110 -1.331 377 H ASP 131 H ASP 131 31.904 11.857 -2.821 378 HA ASP 131 HA ASP 131 33.127 11.510 -5.406 379 HB2 ASP 131 2HB ASP 131 33.508 13.895 -5.289 380 HB3 ASP 131 1HB ASP 131 31.831 13.499 -4.853 381 H GLY 132 H GLY 132 34.166 11.849 -2.084 382 HA2 GLY 132 2HA GLY 132 36.186 10.860 -1.204 383 HA3 GLY 132 1HA GLY 132 36.724 10.534 -2.866 384 H ASP 133 H ASP 133 35.694 13.437 -0.987 385 HA ASP 133 HA ASP 133 38.279 14.660 -1.754 386 HB2 ASP 133 2HB ASP 133 37.157 16.788 -1.754 387 HB3 ASP 133 1HB ASP 133 36.126 15.646 -2.647 388 H GLY 134 H GLY 134 36.596 13.485 0.912 389 HA2 GLY 134 2HA GLY 134 37.622 13.231 3.111 390 HA3 GLY 134 1HA GLY 134 38.646 14.633 2.743 391 H GLN 135 H GLN 135 35.248 14.872 2.021 392 HA GLN 135 HA GLN 135 34.458 16.204 4.493 393 HB2 GLN 135 2HB GLN 135 34.634 17.636 1.803 394 HB3 GLN 135 1HB GLN 135 33.744 18.216 3.135 395 HG2 GLN 135 2HG GLN 135 35.637 18.548 4.558 396 HG3 GLN 135 1HG GLN 135 36.706 17.655 3.452 397 HE21 GLN 135 1HE2 GLN 135 36.434 18.549 1.056 398 HE22 GLN 135 2HE2 GLN 135 36.739 20.275 0.991 399 H VAL 136 H VAL 136 32.178 16.940 4.240 400 HA VAL 136 HA VAL 136 30.834 14.959 2.429 401 HB VAL 136 HB VAL 136 29.940 16.026 5.119 402 HG11 VAL 136 1HG1 VAL 136 28.112 14.387 4.955 403 HG12 VAL 136 2HG1 VAL 136 28.637 13.995 3.300 404 HG13 VAL 136 3HG1 VAL 136 28.050 15.631 3.683 405 HG21 VAL 136 3HG2 VAL 136 31.007 13.280 4.424 406 HG22 VAL 136 1HG2 VAL 136 30.293 13.749 5.985 407 HG23 VAL 136 2HG2 VAL 136 31.800 14.516 5.430 408 H ASN 137 H ASN 137 29.775 15.891 0.876 409 HA ASN 137 HA ASN 137 28.948 18.704 1.507 410 HB2 ASN 137 2HB ASN 137 28.860 19.119 -0.998 411 HB3 ASN 137 1HB ASN 137 30.468 18.868 -0.276 412 HD21 ASN 137 1HD2 ASN 137 31.562 16.868 -0.457 413 HD22 ASN 137 2HD2 ASN 137 31.173 15.703 -1.457 414 H TYR 138 H TYR 138 27.243 19.536 -0.085 415 HA TYR 138 HA TYR 138 24.777 18.231 0.831 416 HB2 TYR 138 2HB TYR 138 24.600 20.593 0.611 417 HB3 TYR 138 1HB TYR 138 25.191 20.556 -1.066 418 HD1 TYR 138 HD2 TYR 138 22.436 18.974 0.995 419 HD2 TYR 138 HD1 TYR 138 23.645 20.759 -2.770 420 HE1 TYR 138 HE2 TYR 138 20.069 18.849 0.181 421 HE2 TYR 138 HE1 TYR 138 21.280 20.614 -3.597 422 HH TYR 138 HH TYR 138 18.807 19.051 -1.695 423 H GLU 139 H GLU 139 26.528 18.445 -2.177 424 HA GLU 139 HA GLU 139 24.533 17.215 -3.771 425 HB2 GLU 139 2HB GLU 139 27.481 16.797 -4.257 426 HB3 GLU 139 1HB GLU 139 26.155 16.852 -5.438 427 HG2 GLU 139 2HG GLU 139 27.488 19.134 -3.974 428 HG3 GLU 139 1HG GLU 139 27.206 18.929 -5.719 429 H GLU 140 H GLU 140 27.283 15.924 -2.062 430 HA GLU 140 HA GLU 140 26.772 13.201 -2.373 431 HB2 GLU 140 2HB GLU 140 28.155 14.908 -0.341 432 HB3 GLU 140 1HB GLU 140 28.038 13.146 -0.137 433 HG2 GLU 140 2HG GLU 140 29.077 12.901 -2.423 434 HG3 GLU 140 1HG GLU 140 29.367 14.657 -2.406 435 H PHE 141 H PHE 141 25.537 15.457 0.041 436 HA PHE 141 HA PHE 141 24.101 13.657 1.596 437 HB2 PHE 141 2HB PHE 141 24.192 16.261 1.606 438 HB3 PHE 141 1HB PHE 141 22.744 16.151 0.582 439 HD1 PHE 141 HD1 PHE 141 24.209 15.491 3.884 440 HD2 PHE 141 HD2 PHE 141 20.598 15.356 1.474 441 HE1 PHE 141 HE1 PHE 141 22.825 15.382 5.973 442 HE2 PHE 141 HE2 PHE 141 19.209 15.253 3.566 443 HZ PHE 141 HZ PHE 141 20.337 15.315 5.790 444 H VAL 142 H VAL 142 23.361 14.831 -1.535 445 HA VAL 142 HA VAL 142 20.829 13.335 -1.800 446 HB VAL 142 HB VAL 142 22.531 14.585 -3.958 447 HG11 VAL 142 1HG1 VAL 142 20.515 14.532 -5.362 448 HG12 VAL 142 2HG1 VAL 142 19.662 13.622 -4.092 449 HG13 VAL 142 3HG1 VAL 142 21.066 12.900 -4.913 450 HG21 VAL 142 3HG2 VAL 142 20.118 15.681 -2.485 451 HG22 VAL 142 1HG2 VAL 142 20.898 16.439 -3.894 452 HG23 VAL 142 2HG2 VAL 142 21.797 16.261 -2.368 453 H GLN 143 H GLN 143 24.180 12.966 -3.009 454 HA GLN 143 HA GLN 143 23.635 10.594 -4.405 455 HB2 GLN 143 2HB GLN 143 25.646 12.031 -4.644 456 HB3 GLN 143 1HB GLN 143 26.268 11.341 -3.129 457 HG2 GLN 143 2HG GLN 143 27.209 9.741 -4.382 458 HG3 GLN 143 1HG GLN 143 25.567 9.105 -4.627 459 HE21 GLN 143 1HE2 GLN 143 28.257 10.567 -5.909 460 HE22 GLN 143 2HE2 GLN 143 27.818 10.871 -7.551 461 H MET 144 H MET 144 24.146 11.061 -1.022 462 HA MET 144 HA MET 144 24.654 8.257 -0.507 463 HB2 MET 144 2HB MET 144 25.521 9.928 0.976 464 HB3 MET 144 1HB MET 144 23.891 10.557 1.296 465 HG2 MET 144 2HG MET 144 23.291 8.485 2.441 466 HG3 MET 144 1HG MET 144 24.894 7.807 2.081 467 HE1 MET 144 3HE MET 144 25.133 11.504 2.592 468 HE2 MET 144 1HE MET 144 24.954 11.782 4.342 469 HE3 MET 144 2HE MET 144 23.543 11.302 3.367 470 H MET 145 H MET 145 21.891 10.369 -0.098 471 HA MET 145 HA MET 145 20.270 8.028 0.718 472 HB2 MET 145 2HB MET 145 19.353 10.844 0.085 473 HB3 MET 145 1HB MET 145 18.314 9.552 0.734 474 HG2 MET 145 2HG MET 145 19.506 9.430 2.748 475 HG3 MET 145 1HG MET 145 20.939 10.220 2.055 476 HE1 MET 145 3HE MET 145 20.653 11.107 4.578 477 HE2 MET 145 1HE MET 145 20.564 12.880 4.442 478 HE3 MET 145 2HE MET 145 21.607 11.953 3.337 479 H THR 146 H THR 146 20.243 10.148 -2.063 480 HA THR 146 HA THR 146 18.285 8.700 -3.570 481 HB THR 146 HB THR 146 20.571 10.413 -4.547 482 HG1 THR 146 HG1 THR 146 18.342 11.721 -4.597 483 HG21 THR 146 3HG2 THR 146 19.596 9.153 -6.386 484 HG22 THR 146 1HG2 THR 146 19.175 10.877 -6.514 485 HG23 THR 146 2HG2 THR 146 17.967 9.708 -5.929 486 H ALA 147 H ALA 147 21.856 8.717 -3.712 487 HA ALA 147 HA ALA 147 23.319 7.209 -4.591 488 HB1 ALA 147 3HB ALA 147 22.529 5.770 -2.798 489 HB2 ALA 147 1HB ALA 147 22.852 4.801 -4.256 490 HB3 ALA 147 2HB ALA 147 21.177 5.203 -3.808 491 H LYS 148 H LYS 148 23.081 4.862 -6.093 492 HA LYS 148 HA LYS 148 21.363 5.307 -8.351 493 HB2 LYS 148 2HB LYS 148 24.014 6.575 -8.267 494 HB3 LYS 148 1HB LYS 148 23.766 5.537 -9.686 495 HG2 LYS 148 2HG LYS 148 22.179 6.899 -10.593 496 HG3 LYS 148 1HG LYS 148 21.619 7.488 -9.013 497 HD2 LYS 148 2HD LYS 148 22.693 9.247 -10.359 498 HD3 LYS 148 1HD LYS 148 23.516 8.952 -8.814 499 HE2 LYS 148 2HE LYS 148 24.527 7.702 -11.366 500 HE3 LYS 148 1HE LYS 148 24.946 9.373 -10.926 501 HZ1 LYS 148 3HZ LYS 148 26.632 7.930 -10.080 502 HZ2 LYS 148 1HZ LYS 148 25.491 6.949 -9.281 503 HZ3 LYS 148 2HZ LYS 148 25.707 8.543 -8.817 504 HC1 HLT 150 H4 HLT 150 22.708 8.674 6.568 Start of MODEL 5 1 H1 GLU 82 1H GLU 82 11.836 18.443 -2.975 2 H2 GLU 82 2H GLU 82 12.679 19.846 -2.470 3 H3 GLU 82 3H GLU 82 13.196 18.336 -1.902 4 HA GLU 82 HA GLU 82 10.569 19.512 -1.368 5 HB2 GLU 82 2HB GLU 82 11.901 17.018 -0.269 6 HB3 GLU 82 1HB GLU 82 10.292 17.640 0.162 7 HG2 GLU 82 2HG GLU 82 11.182 16.558 -2.541 8 HG3 GLU 82 1HG GLU 82 9.993 15.840 -1.427 9 H GLU 83 H GLU 83 10.209 20.157 0.761 10 HA GLU 83 HA GLU 83 12.545 21.467 1.860 11 HB2 GLU 83 2HB GLU 83 11.080 22.390 3.458 12 HB3 GLU 83 1HB GLU 83 10.289 22.425 1.868 13 HG2 GLU 83 2HG GLU 83 8.505 21.704 3.070 14 HG3 GLU 83 1HG GLU 83 9.267 20.112 2.835 15 H GLU 84 H GLU 84 10.662 18.599 2.661 16 HA GLU 84 HA GLU 84 11.785 17.916 5.005 17 HB2 GLU 84 2HB GLU 84 11.226 16.095 2.644 18 HB3 GLU 84 1HB GLU 84 11.493 15.514 4.305 19 HG2 GLU 84 2HG GLU 84 9.438 17.668 3.852 20 HG3 GLU 84 1HG GLU 84 9.031 15.991 3.412 21 H ILE 85 H ILE 85 13.089 16.870 1.982 22 HA ILE 85 HA ILE 85 15.600 16.103 3.261 23 HB ILE 85 HB ILE 85 16.485 15.629 1.021 24 HG12 ILE 85 2HG1 ILE 85 13.842 16.776 0.068 25 HG13 ILE 85 1HG1 ILE 85 15.468 17.390 -0.299 26 HG21 ILE 85 1HG2 ILE 85 14.801 13.852 0.557 27 HG22 ILE 85 2HG2 ILE 85 13.644 14.693 1.616 28 HG23 ILE 85 3HG2 ILE 85 15.141 14.012 2.297 29 HD11 ILE 85 3HD1 ILE 85 15.965 15.339 -1.566 30 HD12 ILE 85 1HD1 ILE 85 14.528 16.171 -2.208 31 HD13 ILE 85 2HD1 ILE 85 14.338 14.717 -1.198 32 H ARG 86 H ARG 86 14.742 18.888 1.257 33 HA ARG 86 HA ARG 86 17.529 19.804 1.417 34 HB2 ARG 86 2HB ARG 86 16.122 20.081 -0.607 35 HB3 ARG 86 1HB ARG 86 15.149 21.263 0.285 36 HG2 ARG 86 2HG ARG 86 18.055 21.585 -0.499 37 HG3 ARG 86 1HG ARG 86 16.654 22.346 -1.286 38 HD2 ARG 86 2HD ARG 86 16.225 23.156 1.247 39 HD3 ARG 86 1HD ARG 86 17.993 22.991 1.293 40 HE ARG 86 HE ARG 86 18.195 24.830 0.151 41 HH11 ARG 86 1HH2 ARG 86 14.899 23.595 0.038 42 HH12 ARG 86 2HH2 ARG 86 14.175 24.827 -0.913 43 HH21 ARG 86 1HH1 ARG 86 17.250 26.684 -1.007 44 HH22 ARG 86 2HH1 ARG 86 15.622 26.685 -1.555 45 H GLU 87 H GLU 87 14.436 20.950 2.671 46 HA GLU 87 HA GLU 87 15.769 23.197 3.974 47 HB2 GLU 87 2HB GLU 87 13.536 23.508 3.187 48 HB3 GLU 87 1HB GLU 87 12.950 22.192 4.225 49 HG2 GLU 87 2HG GLU 87 13.170 23.467 6.180 50 HG3 GLU 87 1HG GLU 87 14.269 24.637 5.406 51 H ALA 88 H ALA 88 14.587 19.927 5.059 52 HA ALA 88 HA ALA 88 15.466 20.574 7.709 53 HB1 ALA 88 3HB ALA 88 14.245 18.502 7.390 54 HB2 ALA 88 1HB ALA 88 15.835 18.194 8.128 55 HB3 ALA 88 2HB ALA 88 15.573 17.850 6.402 56 H PHE 89 H PHE 89 17.217 19.262 4.847 57 HA PHE 89 HA PHE 89 19.756 19.368 6.007 58 HB2 PHE 89 2HB PHE 89 19.385 18.485 3.779 59 HB3 PHE 89 1HB PHE 89 19.044 20.121 3.165 60 HD1 PHE 89 HD2 PHE 89 21.600 18.045 4.908 61 HD2 PHE 89 HD1 PHE 89 20.789 21.566 2.499 62 HE1 PHE 89 HE2 PHE 89 24.058 18.425 4.624 63 HE2 PHE 89 HE1 PHE 89 23.256 21.973 2.257 64 HZ PHE 89 HZ PHE 89 24.857 20.354 3.270 65 H ARG 90 H ARG 90 17.811 22.045 4.973 66 HA ARG 90 HA ARG 90 19.948 23.960 5.164 67 HB2 ARG 90 2HB ARG 90 17.939 24.429 3.934 68 HB3 ARG 90 1HB ARG 90 16.947 24.241 5.396 69 HG2 ARG 90 2HG ARG 90 18.108 26.197 6.383 70 HG3 ARG 90 1HG ARG 90 18.978 26.411 4.847 71 HD2 ARG 90 2HD ARG 90 16.893 26.872 3.667 72 HD3 ARG 90 1HD ARG 90 15.950 26.439 5.097 73 HE ARG 90 HE ARG 90 16.506 28.422 6.101 74 HH11 ARG 90 1HH2 ARG 90 18.625 27.818 3.316 75 HH12 ARG 90 2HH2 ARG 90 19.400 29.331 3.307 76 HH21 ARG 90 1HH1 ARG 90 17.474 30.521 6.068 77 HH22 ARG 90 2HH1 ARG 90 18.811 30.896 5.013 78 H VAL 91 H VAL 91 17.671 22.636 7.533 79 HA VAL 91 HA VAL 91 18.708 24.337 9.668 80 HB VAL 91 HB VAL 91 17.015 21.856 9.560 81 HG11 VAL 91 1HG1 VAL 91 16.597 22.000 11.972 82 HG12 VAL 91 2HG1 VAL 91 17.869 23.237 12.119 83 HG13 VAL 91 3HG1 VAL 91 18.290 21.583 11.616 84 HG21 VAL 91 3HG2 VAL 91 16.504 24.728 10.394 85 HG22 VAL 91 1HG2 VAL 91 15.304 23.415 10.447 86 HG23 VAL 91 2HG2 VAL 91 15.979 23.939 8.886 87 H PHE 92 H PHE 92 19.467 21.291 8.219 88 HA PHE 92 HA PHE 92 21.077 20.194 10.240 89 HB2 PHE 92 2HB PHE 92 21.267 19.812 7.241 90 HB3 PHE 92 1HB PHE 92 22.152 18.851 8.446 91 HD1 PHE 92 HD1 PHE 92 19.353 19.297 10.282 92 HD2 PHE 92 HD2 PHE 92 20.534 17.476 6.524 93 HE1 PHE 92 HE1 PHE 92 17.385 17.757 10.401 94 HE2 PHE 92 HE2 PHE 92 18.598 15.892 6.674 95 HZ PHE 92 HZ PHE 92 17.048 16.049 8.622 96 H ASP 93 H ASP 93 21.901 22.153 7.422 97 HA ASP 93 HA ASP 93 24.635 22.538 8.437 98 HB2 ASP 93 2HB ASP 93 23.996 22.468 5.958 99 HB3 ASP 93 1HB ASP 93 23.305 24.089 6.209 100 H LYS 94 H LYS 94 24.063 23.205 10.409 101 HA LYS 94 HA LYS 94 22.137 25.239 10.936 102 HB2 LYS 94 2HB LYS 94 22.986 23.587 12.562 103 HB3 LYS 94 1HB LYS 94 24.507 24.498 12.653 104 HG2 LYS 94 2HG LYS 94 22.967 24.915 14.558 105 HG3 LYS 94 1HG LYS 94 23.405 26.381 13.652 106 HD2 LYS 94 2HD LYS 94 21.265 26.361 12.499 107 HD3 LYS 94 1HD LYS 94 20.830 24.816 13.266 108 HE2 LYS 94 2HE LYS 94 20.495 25.796 15.357 109 HE3 LYS 94 1HE LYS 94 21.541 27.189 14.986 110 HZ1 LYS 94 3HZ LYS 94 19.980 28.024 13.515 111 HZ2 LYS 94 1HZ LYS 94 19.118 27.609 14.940 112 HZ3 LYS 94 2HZ LYS 94 19.023 26.644 13.526 113 H ASP 95 H ASP 95 25.497 25.488 10.057 114 HA ASP 95 HA ASP 95 25.509 28.346 10.660 115 HB2 ASP 95 2HB ASP 95 27.886 28.132 9.834 116 HB3 ASP 95 1HB ASP 95 27.464 27.274 11.331 117 H GLY 96 H GLY 96 25.005 26.179 7.996 118 HA2 GLY 96 2HA GLY 96 24.124 26.813 5.920 119 HA3 GLY 96 1HA GLY 96 24.230 28.518 6.412 120 H ASN 97 H ASN 97 26.985 26.467 6.808 121 HA ASN 97 HA ASN 97 28.590 28.299 5.245 122 HB2 ASN 97 2HB ASN 97 30.511 26.799 5.853 123 HB3 ASN 97 1HB ASN 97 29.605 27.474 7.224 124 HD21 ASN 97 1HD2 ASN 97 27.986 24.985 5.508 125 HD22 ASN 97 2HD2 ASN 97 28.262 23.681 6.588 126 H GLY 98 H GLY 98 26.728 25.716 4.260 127 HA2 GLY 98 2HA GLY 98 26.570 24.943 1.998 128 HA3 GLY 98 1HA GLY 98 28.210 25.556 1.705 129 H TYR 99 H TYR 99 29.160 24.177 4.247 130 HA TYR 99 HA TYR 99 29.474 21.568 2.919 131 HB2 TYR 99 2HB TYR 99 31.488 23.009 4.679 132 HB3 TYR 99 1HB TYR 99 31.737 21.503 3.766 133 HD1 TYR 99 HD1 TYR 99 31.945 21.520 1.298 134 HD2 TYR 99 HD2 TYR 99 31.479 25.168 3.607 135 HE1 TYR 99 HE1 TYR 99 32.681 22.871 -0.688 136 HE2 TYR 99 HE2 TYR 99 32.175 26.517 1.616 137 HH TYR 99 HH TYR 99 32.724 26.435 -0.446 138 H ILE 100 H ILE 100 29.653 19.768 4.098 139 HA ILE 100 HA ILE 100 28.426 20.033 6.813 140 HB ILE 100 HB ILE 100 28.053 17.801 4.786 141 HG12 ILE 100 2HG1 ILE 100 26.959 19.955 4.247 142 HG13 ILE 100 1HG1 ILE 100 25.806 18.639 4.562 143 HG21 ILE 100 1HG2 ILE 100 26.332 16.921 6.315 144 HG22 ILE 100 2HG2 ILE 100 26.741 18.178 7.507 145 HG23 ILE 100 3HG2 ILE 100 27.936 16.927 7.088 146 HD11 ILE 100 3HD1 ILE 100 25.447 19.495 6.851 147 HD12 ILE 100 1HD1 ILE 100 25.074 20.736 5.631 148 HD13 ILE 100 2HD1 ILE 100 26.603 20.813 6.540 149 H SER 101 H SER 101 29.376 19.130 8.414 150 HA SER 101 HA SER 101 31.660 17.347 7.608 151 HB2 SER 101 2HB SER 101 32.816 17.802 9.637 152 HB3 SER 101 1HB SER 101 32.279 19.364 8.977 153 HG SER 101 HG SER 101 30.933 17.920 10.998 154 H ALA 102 H ALA 102 32.138 15.510 8.975 155 HA ALA 102 HA ALA 102 30.079 13.717 9.377 156 HB1 ALA 102 3HB ALA 102 32.737 13.689 9.815 157 HB2 ALA 102 1HB ALA 102 31.654 12.420 10.435 158 HB3 ALA 102 2HB ALA 102 32.178 13.743 11.505 159 H ALA 103 H ALA 103 31.325 15.939 11.678 160 HA ALA 103 HA ALA 103 29.658 15.391 13.918 161 HB1 ALA 103 3HB ALA 103 31.452 17.009 14.121 162 HB2 ALA 103 1HB ALA 103 29.916 17.741 14.647 163 HB3 ALA 103 2HB ALA 103 30.593 18.141 13.050 164 H GLU 104 H GLU 104 28.860 17.459 11.087 165 HA GLU 104 HA GLU 104 26.224 17.968 12.164 166 HB2 GLU 104 2HB GLU 104 27.836 18.812 9.974 167 HB3 GLU 104 1HB GLU 104 26.250 18.267 9.389 168 HG2 GLU 104 2HG GLU 104 25.100 19.948 10.517 169 HG3 GLU 104 1HG GLU 104 26.383 20.156 11.734 170 H LEU 105 H LEU 105 27.673 15.626 9.837 171 HA LEU 105 HA LEU 105 25.282 14.455 9.068 172 HB2 LEU 105 2HB LEU 105 27.911 13.896 8.709 173 HB3 LEU 105 1HB LEU 105 27.411 12.544 9.746 174 HG LEU 105 HG LEU 105 27.309 12.009 7.373 175 HD11 LEU 105 1HD1 LEU 105 25.045 11.075 7.236 176 HD12 LEU 105 2HD1 LEU 105 24.569 12.045 8.650 177 HD13 LEU 105 3HD1 LEU 105 25.813 10.782 8.814 178 HD21 LEU 105 3HD2 LEU 105 25.221 14.186 7.175 179 HD22 LEU 105 1HD2 LEU 105 25.598 12.998 5.904 180 HD23 LEU 105 2HD2 LEU 105 26.834 14.169 6.423 181 H ARG 106 H ARG 106 26.885 14.306 12.115 182 HA ARG 106 HA ARG 106 25.053 12.370 13.280 183 HB2 ARG 106 2HB ARG 106 27.193 12.808 14.335 184 HB3 ARG 106 1HB ARG 106 26.738 14.504 14.606 185 HG2 ARG 106 2HG ARG 106 24.746 13.502 15.962 186 HG3 ARG 106 1HG ARG 106 25.729 12.020 15.987 187 HD2 ARG 106 2HD ARG 106 26.769 14.737 16.858 188 HD3 ARG 106 1HD ARG 106 26.049 13.555 17.976 189 HE ARG 106 HE ARG 106 28.699 13.374 16.712 190 HH11 ARG 106 1HH2 ARG 106 25.951 11.400 17.913 191 HH12 ARG 106 2HH2 ARG 106 26.942 10.180 18.504 192 HH21 ARG 106 1HH1 ARG 106 29.985 11.538 17.312 193 HH22 ARG 106 2HH1 ARG 106 29.288 10.344 18.302 194 H HIS 107 H HIS 107 25.042 15.828 12.895 195 HA HIS 107 HA HIS 107 22.754 16.232 14.676 196 HB2 HIS 107 2HB HIS 107 24.088 18.172 14.068 197 HB3 HIS 107 1HB HIS 107 23.664 17.957 12.354 198 HD1 HIS 107 HD1 HIS 107 22.302 20.138 12.129 199 HD2 HIS 107 HD2 HIS 107 21.024 17.665 15.292 200 HE1 HIS 107 HE1 HIS 107 20.013 21.063 12.902 201 H VAL 108 H VAL 108 23.195 15.665 11.225 202 HA VAL 108 HA VAL 108 20.382 15.621 10.668 203 HB VAL 108 HB VAL 108 20.782 14.959 8.560 204 HG11 VAL 108 1HG1 VAL 108 22.840 16.071 7.761 205 HG12 VAL 108 2HG1 VAL 108 23.421 16.152 9.441 206 HG13 VAL 108 3HG1 VAL 108 21.948 17.031 8.965 207 HG21 VAL 108 3HG2 VAL 108 23.334 13.524 9.300 208 HG22 VAL 108 1HG2 VAL 108 22.684 13.728 7.656 209 HG23 VAL 108 2HG2 VAL 108 21.779 12.778 8.858 210 H MET 109 H MET 109 22.690 13.072 11.612 211 HA MET 109 HA MET 109 20.851 10.982 11.718 212 HB2 MET 109 2HB MET 109 23.238 11.622 13.435 213 HB3 MET 109 1HB MET 109 22.282 10.141 13.669 214 HG2 MET 109 2HG MET 109 23.060 10.744 10.876 215 HG3 MET 109 1HG MET 109 24.396 10.353 11.980 216 HE1 MET 109 3HE MET 109 20.666 9.074 11.454 217 HE2 MET 109 1HE MET 109 21.019 7.538 10.626 218 HE3 MET 109 2HE MET 109 21.465 9.084 9.864 219 H THR 110 H THR 110 21.418 13.430 14.052 220 HA THR 110 HA THR 110 19.608 12.552 16.094 221 HB THR 110 HB THR 110 20.172 15.386 15.227 222 HG1 THR 110 HG1 THR 110 21.929 13.875 15.960 223 HG21 THR 110 3HG2 THR 110 18.172 15.305 16.626 224 HG22 THR 110 1HG2 THR 110 19.530 16.034 17.516 225 HG23 THR 110 2HG2 THR 110 19.046 14.354 17.851 226 H ASN 111 H ASN 111 19.055 14.557 13.208 227 HA ASN 111 HA ASN 111 16.244 14.836 13.529 228 HB2 ASN 111 2HB ASN 111 17.667 16.235 12.079 229 HB3 ASN 111 1HB ASN 111 17.952 14.835 11.021 230 HD21 ASN 111 1HD2 ASN 111 16.079 13.833 9.989 231 HD22 ASN 111 2HD2 ASN 111 14.654 14.791 9.657 232 H LEU 112 H LEU 112 18.248 12.405 12.042 233 HA LEU 112 HA LEU 112 16.136 10.964 10.728 234 HB2 LEU 112 2HB LEU 112 18.989 10.476 11.410 235 HB3 LEU 112 1HB LEU 112 17.968 9.067 11.069 236 HG LEU 112 HG LEU 112 19.238 9.717 9.149 237 HD11 LEU 112 1HD1 LEU 112 17.420 9.848 7.491 238 HD12 LEU 112 2HD1 LEU 112 16.279 10.207 8.810 239 HD13 LEU 112 3HD1 LEU 112 17.131 8.645 8.771 240 HD21 LEU 112 3HD2 LEU 112 17.835 12.388 9.149 241 HD22 LEU 112 1HD2 LEU 112 18.827 11.730 7.825 242 HD23 LEU 112 2HD2 LEU 112 19.570 12.084 9.403 243 H GLY 113 H GLY 113 17.001 11.388 13.987 244 HA2 GLY 113 2HA GLY 113 15.482 10.552 15.700 245 HA3 GLY 113 1HA GLY 113 15.165 9.141 14.664 246 H GLU 114 H GLU 114 17.869 8.725 13.893 247 HA GLU 114 HA GLU 114 18.714 7.370 16.391 248 HB2 GLU 114 2HB GLU 114 19.150 6.693 13.461 249 HB3 GLU 114 1HB GLU 114 19.778 5.754 14.835 250 HG2 GLU 114 2HG GLU 114 17.822 4.668 15.053 251 HG3 GLU 114 1HG GLU 114 16.942 6.207 15.191 252 H LYS 115 H LYS 115 20.317 8.185 17.365 253 HA LYS 115 HA LYS 115 22.224 9.858 15.737 254 HB2 LYS 115 2HB LYS 115 22.303 9.654 18.757 255 HB3 LYS 115 1HB LYS 115 23.030 10.892 17.709 256 HG2 LYS 115 2HG LYS 115 20.850 11.776 17.154 257 HG3 LYS 115 1HG LYS 115 20.051 10.464 18.049 258 HD2 LYS 115 2HD LYS 115 21.387 11.359 20.095 259 HD3 LYS 115 1HD LYS 115 21.586 12.830 19.114 260 HE2 LYS 115 2HE LYS 115 19.617 13.138 20.471 261 HE3 LYS 115 1HE LYS 115 19.065 12.844 18.805 262 HZ1 LYS 115 3HZ LYS 115 19.285 10.807 20.933 263 HZ2 LYS 115 1HZ LYS 115 18.674 10.524 19.378 264 HZ3 LYS 115 2HZ LYS 115 17.843 11.556 20.440 265 H LEU 116 H LEU 116 24.045 8.838 15.085 266 HA LEU 116 HA LEU 116 24.667 6.451 16.725 267 HB2 LEU 116 2HB LEU 116 26.018 7.280 14.183 268 HB3 LEU 116 1HB LEU 116 25.891 5.670 14.914 269 HG LEU 116 HG LEU 116 23.662 7.181 13.576 270 HD11 LEU 116 1HD1 LEU 116 23.882 5.507 11.772 271 HD12 LEU 116 2HD1 LEU 116 25.323 4.847 12.582 272 HD13 LEU 116 3HD1 LEU 116 25.339 6.513 11.957 273 HD21 LEU 116 3HD2 LEU 116 23.710 4.346 14.631 274 HD22 LEU 116 1HD2 LEU 116 22.407 5.073 13.661 275 HD23 LEU 116 2HD2 LEU 116 22.771 5.712 15.282 276 H THR 117 H THR 117 27.032 6.004 17.152 277 HA THR 117 HA THR 117 27.872 8.411 18.607 278 HB THR 117 HB THR 117 29.620 6.985 19.588 279 HG1 THR 117 HG1 THR 117 30.002 5.525 17.903 280 HG21 THR 117 3HG2 THR 117 27.372 7.087 20.595 281 HG22 THR 117 1HG2 THR 117 28.074 5.463 20.786 282 HG23 THR 117 2HG2 THR 117 26.831 5.755 19.546 283 H ASP 118 H ASP 118 30.423 8.790 18.714 284 HA ASP 118 HA ASP 118 31.062 10.030 16.391 285 HB2 ASP 118 2HB ASP 118 32.805 9.059 18.658 286 HB3 ASP 118 1HB ASP 118 33.370 10.152 17.373 287 H GLU 119 H GLU 119 31.795 6.769 17.257 288 HA GLU 119 HA GLU 119 33.722 6.045 15.311 289 HB2 GLU 119 2HB GLU 119 32.497 4.831 17.360 290 HB3 GLU 119 1HB GLU 119 31.477 4.206 16.049 291 HG2 GLU 119 2HG GLU 119 34.479 3.853 16.287 292 HG3 GLU 119 1HG GLU 119 33.242 2.624 16.637 293 H GLU 120 H GLU 120 30.218 5.729 15.356 294 HA GLU 120 HA GLU 120 29.979 4.886 12.683 295 HB2 GLU 120 2HB GLU 120 28.059 6.323 14.518 296 HB3 GLU 120 1HB GLU 120 27.613 5.473 13.022 297 HG2 GLU 120 2HG GLU 120 29.163 3.842 14.938 298 HG3 GLU 120 1HG GLU 120 27.562 4.359 15.519 299 H VAL 121 H VAL 121 29.947 8.018 14.120 300 HA VAL 121 HA VAL 121 29.138 9.565 11.837 301 HB VAL 121 HB VAL 121 30.959 10.209 14.154 302 HG11 VAL 121 1HG1 VAL 121 30.438 12.553 13.800 303 HG12 VAL 121 2HG1 VAL 121 29.565 12.147 12.302 304 HG13 VAL 121 3HG1 VAL 121 31.322 11.883 12.407 305 HG21 VAL 121 3HG2 VAL 121 28.022 10.710 13.564 306 HG22 VAL 121 1HG2 VAL 121 28.891 11.265 15.015 307 HG23 VAL 121 2HG2 VAL 121 28.679 9.523 14.715 308 H ASP 122 H ASP 122 32.265 8.150 12.705 309 HA ASP 122 HA ASP 122 33.640 9.379 10.497 310 HB2 ASP 122 2HB ASP 122 34.216 6.859 12.078 311 HB3 ASP 122 1HB ASP 122 35.270 7.504 10.799 312 H GLU 123 H GLU 123 31.990 6.261 11.000 313 HA GLU 123 HA GLU 123 32.166 5.485 8.260 314 HB2 GLU 123 2HB GLU 123 31.362 3.975 10.023 315 HB3 GLU 123 1HB GLU 123 29.859 4.920 10.130 316 HG2 GLU 123 2HG GLU 123 29.403 4.410 7.732 317 HG3 GLU 123 1HG GLU 123 30.864 3.396 7.695 318 H MET 124 H MET 124 30.092 7.831 9.801 319 HA MET 124 HA MET 124 28.321 8.129 7.581 320 HB2 MET 124 2HB MET 124 29.102 10.158 9.674 321 HB3 MET 124 1HB MET 124 27.807 10.362 8.475 322 HG2 MET 124 2HG MET 124 26.534 8.574 9.440 323 HG3 MET 124 1HG MET 124 27.876 8.139 10.527 324 HE1 MET 124 3HE MET 124 25.688 8.249 12.064 325 HE2 MET 124 1HE MET 124 26.040 9.445 13.335 326 HE3 MET 124 2HE MET 124 27.341 8.405 12.707 327 H ILE 125 H ILE 125 31.527 9.494 8.370 328 HA ILE 125 HA ILE 125 31.538 11.324 6.162 329 HB ILE 125 HB ILE 125 33.845 9.753 7.355 330 HG12 ILE 125 2HG1 ILE 125 32.862 12.613 7.564 331 HG13 ILE 125 1HG1 ILE 125 32.864 11.383 8.845 332 HG21 ILE 125 1HG2 ILE 125 35.316 11.304 6.104 333 HG22 ILE 125 2HG2 ILE 125 33.893 12.029 5.317 334 HG23 ILE 125 3HG2 ILE 125 34.326 10.335 4.987 335 HD11 ILE 125 3HD1 ILE 125 35.330 11.378 8.845 336 HD12 ILE 125 1HD1 ILE 125 34.683 13.004 9.168 337 HD13 ILE 125 2HD1 ILE 125 35.333 12.608 7.559 338 H ARG 126 H ARG 126 32.355 7.891 6.523 339 HA ARG 126 HA ARG 126 33.046 7.590 3.766 340 HB2 ARG 126 2HB ARG 126 33.693 5.926 5.309 341 HB3 ARG 126 1HB ARG 126 32.009 5.578 5.744 342 HG2 ARG 126 2HG ARG 126 32.858 5.092 2.921 343 HG3 ARG 126 1HG ARG 126 33.422 3.974 4.184 344 HD2 ARG 126 2HD ARG 126 31.249 3.270 4.716 345 HD3 ARG 126 1HD ARG 126 30.501 4.714 3.997 346 HE ARG 126 HE ARG 126 31.232 2.261 2.740 347 HH11 ARG 126 1HH2 ARG 126 30.607 5.743 2.336 348 HH12 ARG 126 2HH2 ARG 126 30.097 5.746 0.736 349 HH21 ARG 126 1HH1 ARG 126 30.609 2.262 0.333 350 HH22 ARG 126 2HH1 ARG 126 30.126 3.750 -0.402 351 H GLU 127 H GLU 127 29.964 6.599 5.190 352 HA GLU 127 HA GLU 127 28.717 6.079 2.765 353 HB2 GLU 127 2HB GLU 127 27.972 5.371 5.048 354 HB3 GLU 127 1HB GLU 127 27.241 6.977 5.235 355 HG2 GLU 127 2HG GLU 127 25.531 5.358 4.651 356 HG3 GLU 127 1HG GLU 127 25.747 6.512 3.315 357 H ALA 128 H ALA 128 29.192 9.122 4.285 358 HA ALA 128 HA ALA 128 27.284 10.322 2.390 359 HB1 ALA 128 3HB ALA 128 27.184 11.165 4.640 360 HB2 ALA 128 1HB ALA 128 27.754 12.446 3.543 361 HB3 ALA 128 2HB ALA 128 28.911 11.594 4.594 362 H ASP 129 H ASP 129 30.673 9.874 2.754 363 HA ASP 129 HA ASP 129 31.328 11.870 0.737 364 HB2 ASP 129 2HB ASP 129 32.756 11.630 2.778 365 HB3 ASP 129 1HB ASP 129 33.191 9.987 2.250 366 H ILE 130 H ILE 130 30.621 11.256 -1.052 367 HA ILE 130 HA ILE 130 31.245 8.493 -2.049 368 HB ILE 130 HB ILE 130 29.181 10.470 -3.023 369 HG12 ILE 130 2HG1 ILE 130 27.767 8.312 -2.746 370 HG13 ILE 130 1HG1 ILE 130 29.135 7.724 -1.781 371 HG21 ILE 130 1HG2 ILE 130 28.547 8.817 -4.753 372 HG22 ILE 130 2HG2 ILE 130 29.956 7.821 -4.316 373 HG23 ILE 130 3HG2 ILE 130 30.193 9.437 -5.023 374 HD11 ILE 130 3HD1 ILE 130 28.817 9.563 -0.191 375 HD12 ILE 130 1HD1 ILE 130 27.347 8.574 -0.358 376 HD13 ILE 130 2HD1 ILE 130 27.447 10.162 -1.157 377 H ASP 131 H ASP 131 31.908 11.839 -2.646 378 HA ASP 131 HA ASP 131 33.172 11.496 -5.198 379 HB2 ASP 131 2HB ASP 131 33.649 13.851 -5.006 380 HB3 ASP 131 1HB ASP 131 31.947 13.531 -4.608 381 H GLY 132 H GLY 132 34.079 11.690 -1.841 382 HA2 GLY 132 2HA GLY 132 36.027 10.612 -0.887 383 HA3 GLY 132 1HA GLY 132 36.614 10.276 -2.530 384 H ASP 133 H ASP 133 35.658 13.185 -0.639 385 HA ASP 133 HA ASP 133 38.313 14.314 -1.342 386 HB2 ASP 133 2HB ASP 133 37.312 16.498 -1.344 387 HB3 ASP 133 1HB ASP 133 36.247 15.421 -2.277 388 H GLY 134 H GLY 134 36.489 13.209 1.261 389 HA2 GLY 134 2HA GLY 134 37.446 12.832 3.465 390 HA3 GLY 134 1HA GLY 134 38.536 14.202 3.177 391 H GLN 135 H GLN 135 35.156 14.643 2.354 392 HA GLN 135 HA GLN 135 34.404 15.945 4.844 393 HB2 GLN 135 2HB GLN 135 34.814 17.402 2.204 394 HB3 GLN 135 1HB GLN 135 33.824 18.027 3.538 395 HG2 GLN 135 2HG GLN 135 35.701 18.313 4.951 396 HG3 GLN 135 1HG GLN 135 36.738 17.303 3.916 397 HE21 GLN 135 1HE2 GLN 135 36.392 18.158 1.461 398 HE22 GLN 135 2HE2 GLN 135 36.905 19.816 1.285 399 H VAL 136 H VAL 136 32.173 16.859 4.516 400 HA VAL 136 HA VAL 136 30.770 14.943 2.680 401 HB VAL 136 HB VAL 136 29.839 16.021 5.349 402 HG11 VAL 136 1HG1 VAL 136 27.952 14.462 5.110 403 HG12 VAL 136 2HG1 VAL 136 28.513 14.065 3.468 404 HG13 VAL 136 3HG1 VAL 136 27.984 15.720 3.852 405 HG21 VAL 136 3HG2 VAL 136 30.826 13.243 4.667 406 HG22 VAL 136 1HG2 VAL 136 30.073 13.726 6.207 407 HG23 VAL 136 2HG2 VAL 136 31.626 14.441 5.712 408 H ASN 137 H ASN 137 29.794 15.921 1.093 409 HA ASN 137 HA ASN 137 29.111 18.765 1.740 410 HB2 ASN 137 2HB ASN 137 29.099 19.216 -0.755 411 HB3 ASN 137 1HB ASN 137 30.677 18.879 -0.004 412 HD21 ASN 137 1HD2 ASN 137 31.672 16.818 -0.183 413 HD22 ASN 137 2HD2 ASN 137 31.261 15.711 -1.250 414 H TYR 138 H TYR 138 27.483 19.659 0.120 415 HA TYR 138 HA TYR 138 24.942 18.464 0.975 416 HB2 TYR 138 2HB TYR 138 24.864 20.835 0.756 417 HB3 TYR 138 1HB TYR 138 25.504 20.778 -0.901 418 HD1 TYR 138 HD2 TYR 138 22.621 19.254 1.029 419 HD2 TYR 138 HD1 TYR 138 24.002 21.157 -2.614 420 HE1 TYR 138 HE2 TYR 138 20.282 19.231 0.134 421 HE2 TYR 138 HE1 TYR 138 21.669 21.104 -3.531 422 HH TYR 138 HH TYR 138 19.051 19.649 -1.624 423 H GLU 139 H GLU 139 26.770 18.635 -1.990 424 HA GLU 139 HA GLU 139 24.739 17.535 -3.646 425 HB2 GLU 139 2HB GLU 139 27.690 17.057 -4.086 426 HB3 GLU 139 1HB GLU 139 26.389 17.147 -5.294 427 HG2 GLU 139 2HG GLU 139 27.718 19.393 -3.764 428 HG3 GLU 139 1HG GLU 139 27.480 19.215 -5.519 429 H GLU 140 H GLU 140 27.443 16.104 -1.950 430 HA GLU 140 HA GLU 140 26.836 13.407 -2.315 431 HB2 GLU 140 2HB GLU 140 28.273 15.019 -0.252 432 HB3 GLU 140 1HB GLU 140 28.083 13.261 -0.083 433 HG2 GLU 140 2HG GLU 140 29.160 13.010 -2.345 434 HG3 GLU 140 1HG GLU 140 29.512 14.755 -2.300 435 H PHE 141 H PHE 141 25.747 15.664 0.131 436 HA PHE 141 HA PHE 141 24.267 13.893 1.706 437 HB2 PHE 141 2HB PHE 141 24.462 16.503 1.771 438 HB3 PHE 141 1HB PHE 141 22.979 16.461 0.791 439 HD1 PHE 141 HD2 PHE 141 20.882 15.375 1.718 440 HD2 PHE 141 HD1 PHE 141 24.499 15.991 4.041 441 HE1 PHE 141 HE2 PHE 141 19.556 15.172 3.841 442 HE2 PHE 141 HE1 PHE 141 23.176 15.788 6.161 443 HZ PHE 141 HZ PHE 141 20.715 15.403 6.037 444 H VAL 142 H VAL 142 23.511 15.208 -1.394 445 HA VAL 142 HA VAL 142 20.902 13.865 -1.642 446 HB VAL 142 HB VAL 142 22.689 15.119 -3.731 447 HG11 VAL 142 1HG1 VAL 142 20.721 15.247 -5.185 448 HG12 VAL 142 2HG1 VAL 142 19.788 14.300 -4.001 449 HG13 VAL 142 3HG1 VAL 142 21.182 13.565 -4.828 450 HG21 VAL 142 3HG2 VAL 142 20.285 16.221 -2.250 451 HG22 VAL 142 1HG2 VAL 142 21.121 17.027 -3.598 452 HG23 VAL 142 2HG2 VAL 142 21.981 16.730 -2.068 453 H GLN 143 H GLN 143 24.228 13.309 -2.826 454 HA GLN 143 HA GLN 143 23.606 11.016 -4.305 455 HB2 GLN 143 2HB GLN 143 25.681 12.403 -4.353 456 HB3 GLN 143 1HB GLN 143 26.198 11.573 -2.870 457 HG2 GLN 143 2HG GLN 143 27.266 10.255 -4.363 458 HG3 GLN 143 1HG GLN 143 25.694 9.425 -4.369 459 HE21 GLN 143 1HE2 GLN 143 27.354 9.032 -6.267 460 HE22 GLN 143 2HE2 GLN 143 27.073 9.878 -7.762 461 H MET 144 H MET 144 24.133 11.346 -0.886 462 HA MET 144 HA MET 144 24.396 8.508 -0.416 463 HB2 MET 144 2HB MET 144 25.422 10.119 1.066 464 HB3 MET 144 1HB MET 144 23.839 10.834 1.439 465 HG2 MET 144 2HG MET 144 23.143 8.733 2.516 466 HG3 MET 144 1HG MET 144 24.730 8.023 2.147 467 HE1 MET 144 3HE MET 144 24.763 11.751 2.839 468 HE2 MET 144 1HE MET 144 24.642 11.898 4.609 469 HE3 MET 144 2HE MET 144 23.236 11.356 3.663 470 H MET 145 H MET 145 21.849 10.860 -0.094 471 HA MET 145 HA MET 145 20.046 8.732 0.926 472 HB2 MET 145 2HB MET 145 18.988 11.404 -0.001 473 HB3 MET 145 1HB MET 145 18.300 10.282 1.197 474 HG2 MET 145 2HG MET 145 20.727 10.670 2.292 475 HG3 MET 145 1HG MET 145 20.548 12.216 1.438 476 HE1 MET 145 3HE MET 145 20.804 10.971 4.501 477 HE2 MET 145 1HE MET 145 20.123 12.364 5.375 478 HE3 MET 145 2HE MET 145 21.248 12.626 4.021 479 H THR 146 H THR 146 20.150 10.716 -1.948 480 HA THR 146 HA THR 146 18.090 9.387 -3.389 481 HB THR 146 HB THR 146 20.539 10.761 -4.492 482 HG1 THR 146 HG1 THR 146 19.246 12.604 -4.381 483 HG21 THR 146 3HG2 THR 146 19.240 9.656 -6.230 484 HG22 THR 146 1HG2 THR 146 19.096 11.425 -6.364 485 HG23 THR 146 2HG2 THR 146 17.761 10.473 -5.671 486 H ALA 147 H ALA 147 21.649 9.044 -3.518 487 HA ALA 147 HA ALA 147 22.955 7.379 -4.331 488 HB1 ALA 147 3HB ALA 147 22.005 6.103 -2.489 489 HB2 ALA 147 1HB ALA 147 22.247 5.047 -3.901 490 HB3 ALA 147 2HB ALA 147 20.616 5.631 -3.495 491 H LYS 148 H LYS 148 22.295 4.922 -5.743 492 HA LYS 148 HA LYS 148 20.698 5.692 -7.995 493 HB2 LYS 148 2HB LYS 148 23.341 6.581 -8.039 494 HB3 LYS 148 1HB LYS 148 23.372 5.077 -8.982 495 HG2 LYS 148 2HG LYS 148 23.009 6.768 -10.566 496 HG3 LYS 148 1HG LYS 148 21.407 6.046 -10.301 497 HD2 LYS 148 2HD LYS 148 20.717 7.879 -8.926 498 HD3 LYS 148 1HD LYS 148 22.366 8.538 -8.876 499 HE2 LYS 148 2HE LYS 148 22.203 8.910 -11.366 500 HE3 LYS 148 1HE LYS 148 20.483 8.461 -11.254 501 HZ1 LYS 148 3HZ LYS 148 20.978 10.882 -11.061 502 HZ2 LYS 148 1HZ LYS 148 21.733 10.541 -9.561 503 HZ3 LYS 148 2HZ LYS 148 20.077 10.210 -9.789 504 HC1 HLT 150 H4 HLT 150 22.876 8.867 7.061
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