NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27817 | 2rps | 11054 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1HT SER 1 -18.155 -1.270 -2.752 2 H2 SER 1 2HT SER 1 -17.903 0.390 -3.111 3 H3 SER 1 3HT SER 1 -17.395 -0.251 -1.602 4 HA SER 1 HA SER 1 -15.651 0.141 -3.321 5 HB2 SER 1 2HB SER 1 -14.840 -2.377 -2.796 6 HB3 SER 1 1HB SER 1 -14.844 -1.101 -1.578 7 HG SER 1 HG SER 1 -17.069 -2.796 -2.005 8 H VAL 2 H VAL 2 -17.973 -0.341 -4.966 9 HA VAL 2 HA VAL 2 -17.321 -2.641 -6.613 10 HB VAL 2 HB VAL 2 -19.406 -0.523 -7.145 11 HG11 VAL 2 1HG1 VAL 2 -18.654 -3.096 -8.389 12 HG12 VAL 2 2HG1 VAL 2 -19.365 -1.650 -9.107 13 HG13 VAL 2 3HG1 VAL 2 -20.380 -2.780 -8.211 14 HG21 VAL 2 3HG2 VAL 2 -20.274 -1.283 -5.197 15 HG22 VAL 2 1HG2 VAL 2 -19.384 -2.804 -5.266 16 HG23 VAL 2 2HG2 VAL 2 -20.843 -2.592 -6.233 17 H GLN 3 H GLN 3 -15.317 -2.146 -7.504 18 HA GLN 3 HA GLN 3 -15.396 -0.499 -9.847 19 HB2 GLN 3 2HB GLN 3 -13.375 0.864 -9.121 20 HB3 GLN 3 1HB GLN 3 -14.917 1.310 -8.405 21 HG2 GLN 3 2HG GLN 3 -13.415 -0.664 -6.861 22 HG3 GLN 3 1HG GLN 3 -12.602 0.890 -7.036 23 HE21 GLN 3 1HE2 GLN 3 -12.853 1.285 -4.818 24 HE22 GLN 3 2HE2 GLN 3 -14.373 1.763 -4.153 25 H ILE 4 H ILE 4 -13.211 -0.511 -10.968 26 HA ILE 4 HA ILE 4 -12.253 -3.215 -11.013 27 HB ILE 4 HB ILE 4 -12.492 -1.914 -13.083 28 HG12 ILE 4 2HG1 ILE 4 -9.563 -2.304 -13.007 29 HG13 ILE 4 1HG1 ILE 4 -10.523 -3.681 -12.474 30 HG21 ILE 4 1HG2 ILE 4 -11.932 0.286 -12.373 31 HG22 ILE 4 2HG2 ILE 4 -10.750 -0.185 -13.594 32 HG23 ILE 4 3HG2 ILE 4 -10.314 -0.217 -11.885 33 HD11 ILE 4 3HD1 ILE 4 -10.781 -4.240 -14.594 34 HD12 ILE 4 1HD1 ILE 4 -9.992 -2.756 -15.127 35 HD13 ILE 4 2HD1 ILE 4 -11.731 -2.772 -14.828 36 H LEU 5 H LEU 5 -11.094 -0.149 -9.781 37 HA LEU 5 HA LEU 5 -8.421 -1.039 -9.288 38 HB2 LEU 5 2HB LEU 5 -10.021 1.385 -8.724 39 HB3 LEU 5 1HB LEU 5 -8.680 1.075 -7.639 40 HG LEU 5 HG LEU 5 -7.184 0.951 -9.655 41 HD11 LEU 5 1HD1 LEU 5 -9.764 1.647 -10.980 42 HD12 LEU 5 2HD1 LEU 5 -8.500 0.528 -11.492 43 HD13 LEU 5 3HD1 LEU 5 -8.251 2.268 -11.638 44 HD21 LEU 5 3HD2 LEU 5 -6.745 3.171 -9.515 45 HD22 LEU 5 1HD2 LEU 5 -7.874 3.055 -8.167 46 HD23 LEU 5 2HD2 LEU 5 -8.432 3.633 -9.737 47 H ARG 6 H ARG 6 -10.680 0.176 -6.846 48 HA ARG 6 HA ARG 6 -11.168 -0.505 -4.734 49 HB2 ARG 6 2HB ARG 6 -12.049 -2.495 -5.816 50 HB3 ARG 6 1HB ARG 6 -10.444 -3.207 -5.874 51 HG2 ARG 6 2HG ARG 6 -10.519 -3.882 -3.732 52 HG3 ARG 6 1HG ARG 6 -11.374 -2.433 -3.196 53 HD2 ARG 6 2HD ARG 6 -13.115 -3.837 -2.961 54 HD3 ARG 6 1HD ARG 6 -13.283 -3.621 -4.704 55 HE ARG 6 HE ARG 6 -11.513 -5.762 -4.001 56 HH11 ARG 6 1HH1 ARG 6 -14.856 -4.886 -4.486 57 HH12 ARG 6 2HH1 ARG 6 -15.357 -6.503 -4.851 58 HH21 ARG 6 1HH2 ARG 6 -12.171 -7.889 -4.480 59 HH22 ARG 6 2HH2 ARG 6 -13.833 -8.209 -4.846 60 H CYS 7 H CYS 7 -9.961 -0.002 -3.040 61 HA CYS 7 HA CYS 7 -7.288 -1.211 -2.797 62 HB2 CYS 7 2HB CYS 7 -8.084 1.649 -2.722 63 HB3 CYS 7 1HB CYS 7 -6.885 1.132 -1.541 64 HA PRO 8 HA PRO 8 -9.982 -2.106 0.943 65 HB2 PRO 8 2HB PRO 8 -8.277 -4.537 0.801 66 HB3 PRO 8 1HB PRO 8 -10.015 -4.397 1.083 67 HG2 PRO 8 2HG PRO 8 -9.078 -5.244 -1.263 68 HG3 PRO 8 1HG PRO 8 -10.498 -4.186 -1.175 69 HD2 PRO 8 2HD PRO 8 -7.679 -3.521 -1.914 70 HD3 PRO 8 1HD PRO 8 -9.199 -2.904 -2.592 71 H ASP 9 H ASP 9 -8.801 -3.473 2.970 72 HA ASP 9 HA ASP 9 -7.165 -1.575 4.192 73 HB2 ASP 9 2HB ASP 9 -7.636 -4.494 4.787 74 HB3 ASP 9 1HB ASP 9 -6.624 -3.478 5.808 75 H GLY 10 H GLY 10 -5.092 -1.077 3.954 76 HA2 GLY 10 2HA GLY 10 -2.782 -1.966 4.019 77 HA3 GLY 10 1HA GLY 10 -3.294 -3.120 2.797 78 H MET 11 H MET 11 -4.897 -1.045 1.404 79 HA MET 11 HA MET 11 -2.656 0.215 -0.009 80 HB2 MET 11 2HB MET 11 -5.514 -0.183 -0.912 81 HB3 MET 11 1HB MET 11 -4.201 0.458 -1.889 82 HG2 MET 11 2HG MET 11 -3.113 -1.878 -1.166 83 HG3 MET 11 1HG MET 11 -4.818 -2.320 -1.123 84 HE1 MET 11 3HE MET 11 -3.321 -3.935 -2.586 85 HE2 MET 11 1HE MET 11 -2.226 -3.219 -3.770 86 HE3 MET 11 2HE MET 11 -3.737 -3.955 -4.300 87 H GLN 12 H GLN 12 -2.238 2.191 0.748 88 HA GLN 12 HA GLN 12 -4.389 3.888 1.717 89 HB2 GLN 12 2HB GLN 12 -1.677 3.584 2.364 90 HB3 GLN 12 1HB GLN 12 -1.800 5.174 1.624 91 HG2 GLN 12 2HG GLN 12 -3.915 5.254 3.290 92 HG3 GLN 12 1HG GLN 12 -2.834 4.194 4.193 93 HE21 GLN 12 1HE2 GLN 12 -2.405 5.648 5.806 94 HE22 GLN 12 2HE2 GLN 12 -1.484 7.090 5.561 95 H MET 13 H MET 13 -5.369 5.374 0.522 96 HA MET 13 HA MET 13 -4.396 5.930 -2.155 97 HB2 MET 13 2HB MET 13 -6.832 5.465 -1.539 98 HB3 MET 13 1HB MET 13 -6.860 7.088 -0.864 99 HG2 MET 13 2HG MET 13 -6.230 7.987 -3.066 100 HG3 MET 13 1HG MET 13 -6.291 6.353 -3.725 101 HE1 MET 13 3HE MET 13 -9.237 7.046 -5.525 102 HE2 MET 13 1HE MET 13 -7.510 7.392 -5.449 103 HE3 MET 13 2HE MET 13 -8.679 8.674 -5.140 104 H LEU 14 H LEU 14 -3.768 7.920 -2.931 105 HA LEU 14 HA LEU 14 -3.040 9.883 -0.875 106 HB2 LEU 14 2HB LEU 14 -2.054 9.751 -3.721 107 HB3 LEU 14 1HB LEU 14 -1.386 10.701 -2.406 108 HG LEU 14 HG LEU 14 -1.438 7.708 -2.233 109 HD11 LEU 14 1HD1 LEU 14 0.251 9.398 -3.972 110 HD12 LEU 14 2HD1 LEU 14 -0.229 7.709 -4.144 111 HD13 LEU 14 3HD1 LEU 14 1.073 8.146 -3.039 112 HD21 LEU 14 3HD2 LEU 14 0.381 9.822 -1.084 113 HD22 LEU 14 1HD2 LEU 14 0.492 8.086 -0.789 114 HD23 LEU 14 2HD2 LEU 14 -0.913 8.989 -0.222 115 H ARG 15 H ARG 15 -3.111 12.201 -1.561 116 HA ARG 15 HA ARG 15 -5.718 12.952 -2.241 117 HB2 ARG 15 2HB ARG 15 -4.808 15.250 -2.399 118 HB3 ARG 15 1HB ARG 15 -4.296 14.414 -0.940 119 HG2 ARG 15 2HG ARG 15 -2.175 13.826 -2.254 120 HG3 ARG 15 1HG ARG 15 -2.692 15.085 -3.378 121 HD2 ARG 15 2HD ARG 15 -1.096 15.843 -1.602 122 HD3 ARG 15 1HD ARG 15 -2.606 16.748 -1.682 123 HE ARG 15 HE ARG 15 -2.656 14.578 0.202 124 HH11 ARG 15 1HH1 ARG 15 -1.819 17.932 -0.278 125 HH12 ARG 15 2HH1 ARG 15 -1.945 18.333 1.402 126 HH21 ARG 15 1HH2 ARG 15 -2.823 15.105 2.411 127 HH22 ARG 15 2HH2 ARG 15 -2.515 16.728 2.929 128 H SER 16 H SER 16 -2.872 12.464 -4.202 129 HA SER 16 HA SER 16 -3.843 13.770 -6.535 130 HB2 SER 16 2HB SER 16 -1.920 11.546 -6.880 131 HB3 SER 16 1HB SER 16 -1.843 13.207 -7.466 132 HG SER 16 HG SER 16 -0.742 12.114 -5.247 133 H GLY 17 H GLY 17 -4.095 10.514 -5.257 134 HA2 GLY 17 2HA GLY 17 -6.268 9.455 -6.014 135 HA3 GLY 17 1HA GLY 17 -5.665 9.748 -7.639 136 H GLN 18 H GLN 18 -2.890 9.096 -6.805 137 HA GLN 18 HA GLN 18 -2.863 6.390 -7.519 138 HB2 GLN 18 2HB GLN 18 -0.858 8.321 -6.468 139 HB3 GLN 18 1HB GLN 18 -0.456 6.611 -6.390 140 HG2 GLN 18 2HG GLN 18 -1.347 6.829 -8.943 141 HG3 GLN 18 1HG GLN 18 -0.614 8.412 -8.693 142 HE21 GLN 18 1HE2 GLN 18 1.502 7.917 -7.131 143 HE22 GLN 18 2HE2 GLN 18 2.618 6.859 -7.917 144 H CYS 19 H CYS 19 -2.452 4.507 -6.341 145 HA CYS 19 HA CYS 19 -3.139 4.699 -3.484 146 HB2 CYS 19 2HB CYS 19 -4.414 3.261 -5.421 147 HB3 CYS 19 1HB CYS 19 -3.307 2.055 -4.774 148 H VAL 20 H VAL 20 -1.422 4.531 -2.210 149 HA VAL 20 HA VAL 20 0.921 3.037 -3.092 150 HB VAL 20 HB VAL 20 0.586 4.625 -0.546 151 HG11 VAL 20 1HG1 VAL 20 2.824 4.363 -0.186 152 HG12 VAL 20 2HG1 VAL 20 3.194 4.191 -1.901 153 HG13 VAL 20 3HG1 VAL 20 2.486 2.843 -1.011 154 HG21 VAL 20 3HG2 VAL 20 0.203 5.962 -2.636 155 HG22 VAL 20 1HG2 VAL 20 1.856 5.569 -3.109 156 HG23 VAL 20 2HG2 VAL 20 1.557 6.503 -1.643 157 H ALA 21 H ALA 21 0.605 0.890 -2.815 158 HA ALA 21 HA ALA 21 -0.801 -0.229 -0.604 159 HB1 ALA 21 1HB ALA 21 -0.853 -1.537 -2.534 160 HB2 ALA 21 2HB ALA 21 0.281 -2.389 -1.486 161 HB3 ALA 21 3HB ALA 21 0.883 -1.381 -2.802 162 H THR 22 H THR 22 0.035 -1.498 1.105 163 HA THR 22 HA THR 22 2.309 -0.410 2.373 164 HB THR 22 HB THR 22 0.490 -1.344 3.673 165 HG1 THR 22 1HG THR 22 2.130 -1.604 4.969 166 HG21 THR 22 3HG2 THR 22 -0.531 -3.174 2.946 167 HG22 THR 22 1HG2 THR 22 0.800 -4.073 3.672 168 HG23 THR 22 2HG2 THR 22 0.851 -3.655 1.960 169 H THR 23 H THR 23 3.920 -0.674 0.696 170 HA THR 23 HA THR 23 5.167 -3.336 0.807 171 HB THR 23 HB THR 23 4.170 -3.160 -1.380 172 HG1 THR 23 1HG THR 23 6.078 -3.252 -2.654 173 HG21 THR 23 3HG2 THR 23 5.449 -1.206 -2.786 174 HG22 THR 23 1HG2 THR 23 5.096 -0.402 -1.257 175 HG23 THR 23 2HG2 THR 23 3.789 -1.125 -2.194 176 H GLU 24 H GLU 24 5.670 -0.956 2.387 177 HA GLU 24 HA GLU 24 8.068 0.272 1.393 178 HB2 GLU 24 2HB GLU 24 6.429 0.459 3.870 179 HB3 GLU 24 1HB GLU 24 8.108 0.972 3.968 180 HG2 GLU 24 2HG GLU 24 6.674 2.034 1.655 181 HG3 GLU 24 1HG GLU 24 6.018 2.542 3.210 182 HA PRO 25 HA PRO 25 10.968 -2.717 2.872 183 HB2 PRO 25 2HB PRO 25 13.183 -1.191 3.091 184 HB3 PRO 25 1HB PRO 25 12.494 -1.637 1.525 185 HG2 PRO 25 2HG PRO 25 12.214 0.919 3.058 186 HG3 PRO 25 1HG PRO 25 12.501 0.682 1.324 187 HD2 PRO 25 2HD PRO 25 10.049 1.244 2.359 188 HD3 PRO 25 1HD PRO 25 10.280 0.281 0.885 189 HA PRO 26 HA PRO 26 10.551 -1.816 7.314 190 HB2 PRO 26 2HB PRO 26 10.782 -4.381 8.141 191 HB3 PRO 26 1HB PRO 26 9.278 -3.727 7.484 192 HG2 PRO 26 2HG PRO 26 11.371 -5.387 6.132 193 HG3 PRO 26 1HG PRO 26 9.605 -5.528 6.047 194 HD2 PRO 26 2HD PRO 26 11.078 -4.322 4.111 195 HD3 PRO 26 1HD PRO 26 9.418 -3.831 4.504 196 H PHE 27 H PHE 27 11.914 -2.832 9.243 197 HA PHE 27 HA PHE 27 14.555 -1.970 8.907 198 HB2 PHE 27 2HB PHE 27 14.903 -3.172 11.142 199 HB3 PHE 27 1HB PHE 27 13.704 -1.887 11.101 200 HD1 PHE 27 2HD PHE 27 14.179 -5.544 11.148 201 HD2 PHE 27 1HD PHE 27 11.422 -2.326 11.543 202 HE1 PHE 27 2HE PHE 27 12.494 -7.102 12.032 203 HE2 PHE 27 1HE PHE 27 9.731 -3.878 12.429 204 HZ PHE 27 HZ PHE 27 10.265 -6.270 12.673 205 H ASP 28 H ASP 28 16.178 -2.919 7.887 206 HA ASP 28 HA ASP 28 16.125 -5.460 6.772 207 HB2 ASP 28 2HB ASP 28 18.224 -3.420 7.272 208 HB3 ASP 28 1HB ASP 28 18.774 -5.055 6.912 209 HA PRO 29 HA PRO 29 16.496 -7.870 10.591 210 HB2 PRO 29 2HB PRO 29 16.930 -9.969 8.518 211 HB3 PRO 29 1HB PRO 29 15.866 -9.983 9.928 212 HG2 PRO 29 2HG PRO 29 14.875 -9.617 7.485 213 HG3 PRO 29 1HG PRO 29 14.230 -8.723 8.875 214 HD2 PRO 29 2HD PRO 29 16.027 -7.789 6.685 215 HD3 PRO 29 1HD PRO 29 14.755 -6.911 7.555 216 H ASP 30 H ASP 30 18.114 -9.777 11.121 217 HA ASP 30 HA ASP 30 20.739 -9.319 9.938 218 HB2 ASP 30 2HB ASP 30 20.132 -7.902 12.151 219 HB3 ASP 30 1HB ASP 30 20.723 -9.382 12.901 220 H SER 31 H SER 31 18.839 -11.523 9.929 221 HA SER 31 HA SER 31 18.839 -13.788 10.066 222 HB2 SER 31 2HB SER 31 21.766 -13.285 10.611 223 HB3 SER 31 1HB SER 31 21.084 -14.904 10.456 224 HG SER 31 HG SER 31 21.421 -12.912 8.516 225 H TYR 32 H TYR 32 21.306 -13.311 12.554 226 HA TYR 32 HA TYR 32 19.545 -14.647 14.467 227 HB2 TYR 32 2HB TYR 32 21.621 -14.871 15.839 228 HB3 TYR 32 1HB TYR 32 21.727 -15.647 14.264 229 HD1 TYR 32 1HD TYR 32 22.904 -12.849 16.324 230 HD2 TYR 32 2HD TYR 32 23.235 -14.815 12.566 231 HE1 TYR 32 1HE TYR 32 24.959 -11.583 15.848 232 HE2 TYR 32 2HE TYR 32 25.290 -13.555 12.080 233 HH TYR 32 HH TYR 32 26.300 -10.884 13.980 Start of MODEL 2 1 H1 SER 1 1HT SER 1 -21.981 -4.042 -6.964 2 H2 SER 1 2HT SER 1 -21.908 -4.296 -8.660 3 H3 SER 1 3HT SER 1 -22.796 -2.972 -8.025 4 HA SER 1 HA SER 1 -20.585 -2.468 -9.005 5 HB2 SER 1 2HB SER 1 -21.661 -1.693 -6.333 6 HB3 SER 1 1HB SER 1 -20.057 -1.103 -6.770 7 HG SER 1 HG SER 1 -21.307 0.408 -7.633 8 H VAL 2 H VAL 2 -18.939 -3.897 -9.307 9 HA VAL 2 HA VAL 2 -17.711 -5.238 -7.046 10 HB VAL 2 HB VAL 2 -18.000 -6.457 -9.159 11 HG11 VAL 2 1HG1 VAL 2 -16.444 -5.876 -11.054 12 HG12 VAL 2 2HG1 VAL 2 -16.165 -4.335 -10.246 13 HG13 VAL 2 3HG1 VAL 2 -17.784 -4.759 -10.799 14 HG21 VAL 2 3HG2 VAL 2 -15.125 -5.981 -8.385 15 HG22 VAL 2 1HG2 VAL 2 -15.705 -7.341 -9.343 16 HG23 VAL 2 2HG2 VAL 2 -16.226 -7.155 -7.669 17 H GLN 3 H GLN 3 -15.599 -4.940 -6.339 18 HA GLN 3 HA GLN 3 -14.614 -2.280 -6.462 19 HB2 GLN 3 2HB GLN 3 -13.166 -4.728 -5.447 20 HB3 GLN 3 1HB GLN 3 -12.829 -3.054 -5.031 21 HG2 GLN 3 2HG GLN 3 -14.435 -2.987 -3.480 22 HG3 GLN 3 1HG GLN 3 -15.575 -3.885 -4.482 23 HE21 GLN 3 1HE2 GLN 3 -12.483 -4.475 -2.832 24 HE22 GLN 3 2HE2 GLN 3 -12.949 -5.987 -2.138 25 H ILE 4 H ILE 4 -14.490 -2.238 -8.872 26 HA ILE 4 HA ILE 4 -12.545 -3.718 -10.279 27 HB ILE 4 HB ILE 4 -12.755 -1.829 -11.972 28 HG12 ILE 4 2HG1 ILE 4 -15.214 -0.932 -10.591 29 HG13 ILE 4 1HG1 ILE 4 -13.697 -0.368 -9.901 30 HG21 ILE 4 1HG2 ILE 4 -15.489 -2.792 -11.414 31 HG22 ILE 4 2HG2 ILE 4 -14.233 -4.022 -11.570 32 HG23 ILE 4 3HG2 ILE 4 -14.529 -2.889 -12.890 33 HD11 ILE 4 3HD1 ILE 4 -15.078 0.788 -11.975 34 HD12 ILE 4 1HD1 ILE 4 -13.773 -0.079 -12.783 35 HD13 ILE 4 2HD1 ILE 4 -13.401 1.106 -11.533 36 H LEU 5 H LEU 5 -12.405 -0.774 -8.411 37 HA LEU 5 HA LEU 5 -9.503 -0.774 -8.675 38 HB2 LEU 5 2HB LEU 5 -10.786 0.867 -10.312 39 HB3 LEU 5 1HB LEU 5 -10.854 1.871 -8.877 40 HG LEU 5 HG LEU 5 -8.205 0.757 -9.641 41 HD11 LEU 5 1HD1 LEU 5 -9.405 1.651 -11.731 42 HD12 LEU 5 2HD1 LEU 5 -7.794 2.268 -11.362 43 HD13 LEU 5 3HD1 LEU 5 -9.219 3.236 -10.982 44 HD21 LEU 5 3HD2 LEU 5 -7.381 2.543 -8.476 45 HD22 LEU 5 1HD2 LEU 5 -8.918 2.319 -7.643 46 HD23 LEU 5 2HD2 LEU 5 -8.755 3.577 -8.868 47 H ARG 6 H ARG 6 -9.564 -1.513 -6.508 48 HA ARG 6 HA ARG 6 -10.017 0.648 -4.583 49 HB2 ARG 6 2HB ARG 6 -11.883 -1.189 -4.707 50 HB3 ARG 6 1HB ARG 6 -10.717 -2.163 -3.822 51 HG2 ARG 6 2HG ARG 6 -12.147 -1.180 -2.221 52 HG3 ARG 6 1HG ARG 6 -10.611 -0.316 -2.126 53 HD2 ARG 6 2HD ARG 6 -11.930 1.508 -2.217 54 HD3 ARG 6 1HD ARG 6 -11.901 1.193 -3.950 55 HE ARG 6 HE ARG 6 -14.113 0.608 -3.850 56 HH11 ARG 6 1HH1 ARG 6 -12.812 0.682 -0.611 57 HH12 ARG 6 2HH1 ARG 6 -14.357 0.487 0.147 58 HH21 ARG 6 1HH2 ARG 6 -16.145 0.352 -2.854 59 HH22 ARG 6 2HH2 ARG 6 -16.249 0.299 -1.126 60 H CYS 7 H CYS 7 -8.592 0.717 -2.874 61 HA CYS 7 HA CYS 7 -6.266 -1.052 -3.125 62 HB2 CYS 7 2HB CYS 7 -6.643 1.709 -1.996 63 HB3 CYS 7 1HB CYS 7 -5.230 0.746 -1.580 64 HA PRO 8 HA PRO 8 -8.400 -2.829 0.574 65 HB2 PRO 8 2HB PRO 8 -6.880 -5.153 0.371 66 HB3 PRO 8 1HB PRO 8 -8.499 -4.922 -0.287 67 HG2 PRO 8 2HG PRO 8 -5.854 -4.762 -1.645 68 HG3 PRO 8 1HG PRO 8 -7.402 -5.360 -2.265 69 HD2 PRO 8 2HD PRO 8 -6.416 -2.959 -2.969 70 HD3 PRO 8 1HD PRO 8 -8.159 -3.237 -2.781 71 H ASP 9 H ASP 9 -6.967 -4.464 2.195 72 HA ASP 9 HA ASP 9 -5.396 -2.681 3.682 73 HB2 ASP 9 2HB ASP 9 -5.989 -5.592 3.793 74 HB3 ASP 9 1HB ASP 9 -4.575 -5.031 4.680 75 H GLY 10 H GLY 10 -3.452 -1.909 3.215 76 HA2 GLY 10 2HA GLY 10 -1.062 -2.650 3.078 77 HA3 GLY 10 1HA GLY 10 -1.580 -3.650 1.730 78 H MET 11 H MET 11 -3.409 -1.525 0.755 79 HA MET 11 HA MET 11 -1.357 0.244 -0.406 80 HB2 MET 11 2HB MET 11 -3.702 -1.161 -1.584 81 HB3 MET 11 1HB MET 11 -3.302 0.427 -2.224 82 HG2 MET 11 2HG MET 11 -1.435 -0.301 -3.240 83 HG3 MET 11 1HG MET 11 -1.047 -1.441 -1.952 84 HE1 MET 11 3HE MET 11 -2.531 -4.430 -2.331 85 HE2 MET 11 1HE MET 11 -1.086 -3.483 -1.974 86 HE3 MET 11 2HE MET 11 -1.181 -4.420 -3.465 87 H GLN 12 H GLN 12 -1.547 2.355 -0.054 88 HA GLN 12 HA GLN 12 -4.165 3.403 0.805 89 HB2 GLN 12 2HB GLN 12 -2.873 5.039 2.206 90 HB3 GLN 12 1HB GLN 12 -2.777 3.371 2.749 91 HG2 GLN 12 2HG GLN 12 -0.573 3.146 2.104 92 HG3 GLN 12 1HG GLN 12 -0.667 4.478 0.953 93 HE21 GLN 12 1HE2 GLN 12 -1.712 4.400 4.320 94 HE22 GLN 12 2HE2 GLN 12 -0.629 5.628 4.873 95 H MET 13 H MET 13 -4.927 5.052 -0.348 96 HA MET 13 HA MET 13 -3.617 5.977 -2.664 97 HB2 MET 13 2HB MET 13 -5.471 7.581 -2.840 98 HB3 MET 13 1HB MET 13 -6.048 5.960 -2.476 99 HG2 MET 13 2HG MET 13 -5.849 6.899 0.012 100 HG3 MET 13 1HG MET 13 -6.126 8.417 -0.840 101 HE1 MET 13 3HE MET 13 -8.817 4.740 -0.976 102 HE2 MET 13 1HE MET 13 -8.217 5.202 0.617 103 HE3 MET 13 2HE MET 13 -7.081 4.816 -0.676 104 H LEU 14 H LEU 14 -2.744 8.011 -3.165 105 HA LEU 14 HA LEU 14 -1.636 9.421 -0.839 106 HB2 LEU 14 2HB LEU 14 -0.717 9.602 -3.703 107 HB3 LEU 14 1HB LEU 14 0.121 10.192 -2.280 108 HG LEU 14 HG LEU 14 -0.455 7.271 -2.499 109 HD11 LEU 14 1HD1 LEU 14 1.105 6.822 -4.061 110 HD12 LEU 14 2HD1 LEU 14 2.121 8.186 -3.594 111 HD13 LEU 14 3HD1 LEU 14 0.710 8.448 -4.618 112 HD21 LEU 14 3HD2 LEU 14 2.016 7.508 -1.497 113 HD22 LEU 14 1HD2 LEU 14 0.562 7.587 -0.504 114 HD23 LEU 14 2HD2 LEU 14 1.359 9.073 -1.020 115 H ARG 15 H ARG 15 -1.223 11.811 -1.237 116 HA ARG 15 HA ARG 15 -3.666 13.131 -1.590 117 HB2 ARG 15 2HB ARG 15 -2.327 15.213 -1.528 118 HB3 ARG 15 1HB ARG 15 -1.913 14.096 -0.234 119 HG2 ARG 15 2HG ARG 15 0.013 13.327 -1.640 120 HG3 ARG 15 1HG ARG 15 -0.356 14.652 -2.746 121 HD2 ARG 15 2HD ARG 15 1.434 15.146 -1.062 122 HD3 ARG 15 1HD ARG 15 0.084 16.281 -1.068 123 HE ARG 15 HE ARG 15 -0.215 14.144 0.830 124 HH11 ARG 15 1HH1 ARG 15 1.140 17.315 0.285 125 HH12 ARG 15 2HH1 ARG 15 1.172 17.728 1.967 126 HH21 ARG 15 1HH2 ARG 15 -0.175 14.686 3.041 127 HH22 ARG 15 2HH2 ARG 15 0.425 16.235 3.532 128 H SER 16 H SER 16 -1.091 12.393 -3.831 129 HA SER 16 HA SER 16 -1.915 14.180 -5.886 130 HB2 SER 16 2HB SER 16 -0.010 11.897 -5.670 131 HB3 SER 16 1HB SER 16 -0.537 12.373 -7.283 132 HG SER 16 HG SER 16 0.685 14.037 -5.334 133 H GLY 17 H GLY 17 -2.749 10.892 -5.005 134 HA2 GLY 17 2HA GLY 17 -5.135 10.410 -5.740 135 HA3 GLY 17 1HA GLY 17 -4.531 10.749 -7.354 136 H GLN 18 H GLN 18 -1.935 9.447 -6.748 137 HA GLN 18 HA GLN 18 -2.558 6.864 -7.681 138 HB2 GLN 18 2HB GLN 18 -0.002 7.849 -6.401 139 HB3 GLN 18 1HB GLN 18 -0.174 6.375 -7.346 140 HG2 GLN 18 2HG GLN 18 -0.656 9.153 -8.397 141 HG3 GLN 18 1HG GLN 18 0.839 8.240 -8.601 142 HE21 GLN 18 1HE2 GLN 18 -2.623 8.176 -9.272 143 HE22 GLN 18 2HE2 GLN 18 -2.509 7.240 -10.720 144 H CYS 19 H CYS 19 -1.245 4.974 -6.393 145 HA CYS 19 HA CYS 19 -2.131 5.015 -3.595 146 HB2 CYS 19 2HB CYS 19 -3.631 3.750 -5.443 147 HB3 CYS 19 1HB CYS 19 -2.499 2.460 -5.054 148 H VAL 20 H VAL 20 -0.362 4.710 -2.423 149 HA VAL 20 HA VAL 20 1.792 3.025 -3.478 150 HB VAL 20 HB VAL 20 2.423 5.282 -2.742 151 HG11 VAL 20 1HG1 VAL 20 0.739 5.601 -1.012 152 HG12 VAL 20 2HG1 VAL 20 2.359 5.876 -0.369 153 HG13 VAL 20 3HG1 VAL 20 1.514 4.370 -0.015 154 HG21 VAL 20 3HG2 VAL 20 4.014 3.385 -2.580 155 HG22 VAL 20 1HG2 VAL 20 3.538 3.175 -0.895 156 HG23 VAL 20 2HG2 VAL 20 4.329 4.665 -1.409 157 H ALA 21 H ALA 21 2.670 1.320 -2.297 158 HA ALA 21 HA ALA 21 0.812 0.049 -0.465 159 HB1 ALA 21 1HB ALA 21 2.722 -1.759 -0.597 160 HB2 ALA 21 2HB ALA 21 3.190 -0.831 -2.022 161 HB3 ALA 21 3HB ALA 21 1.578 -1.540 -1.922 162 H THR 22 H THR 22 1.328 -0.640 1.630 163 HA THR 22 HA THR 22 3.261 1.061 2.980 164 HB THR 22 HB THR 22 2.125 -0.436 4.959 165 HG1 THR 22 1HG THR 22 0.076 -0.041 3.047 166 HG21 THR 22 3HG2 THR 22 0.514 1.838 3.940 167 HG22 THR 22 1HG2 THR 22 2.165 2.140 4.480 168 HG23 THR 22 2HG2 THR 22 0.990 1.433 5.588 169 H THR 23 H THR 23 5.092 -0.086 1.992 170 HA THR 23 HA THR 23 5.863 -2.381 3.648 171 HB THR 23 HB THR 23 5.130 -3.306 1.513 172 HG1 THR 23 1HG THR 23 7.961 -3.293 1.622 173 HG21 THR 23 3HG2 THR 23 6.207 -2.804 -0.573 174 HG22 THR 23 1HG2 THR 23 7.249 -1.617 0.210 175 HG23 THR 23 2HG2 THR 23 5.513 -1.328 0.098 176 H GLU 24 H GLU 24 6.553 0.368 3.919 177 HA GLU 24 HA GLU 24 9.108 0.888 2.779 178 HB2 GLU 24 2HB GLU 24 7.274 2.210 4.635 179 HB3 GLU 24 1HB GLU 24 8.965 2.474 5.032 180 HG2 GLU 24 2HG GLU 24 9.398 3.398 2.872 181 HG3 GLU 24 1HG GLU 24 7.784 2.962 2.311 182 HA PRO 25 HA PRO 25 10.581 -0.253 7.378 183 HB2 PRO 25 2HB PRO 25 8.505 -2.355 7.789 184 HB3 PRO 25 1HB PRO 25 9.266 -1.282 8.968 185 HG2 PRO 25 2HG PRO 25 6.783 -0.827 8.131 186 HG3 PRO 25 1HG PRO 25 7.910 0.514 8.408 187 HD2 PRO 25 2HD PRO 25 6.985 -0.686 5.838 188 HD3 PRO 25 1HD PRO 25 7.379 1.002 6.222 189 HA PRO 26 HA PRO 26 12.701 -3.640 5.461 190 HB2 PRO 26 2HB PRO 26 14.296 -4.426 7.495 191 HB3 PRO 26 1HB PRO 26 14.555 -2.912 6.618 192 HG2 PRO 26 2HG PRO 26 13.227 -3.368 9.264 193 HG3 PRO 26 1HG PRO 26 14.379 -2.103 8.793 194 HD2 PRO 26 2HD PRO 26 11.695 -1.687 8.921 195 HD3 PRO 26 1HD PRO 26 12.753 -0.824 7.788 196 H PHE 27 H PHE 27 12.102 -5.676 5.069 197 HA PHE 27 HA PHE 27 10.659 -7.138 7.160 198 HB2 PHE 27 2HB PHE 27 10.431 -6.969 4.232 199 HB3 PHE 27 1HB PHE 27 10.297 -8.602 4.877 200 HD1 PHE 27 2HD PHE 27 8.917 -8.190 7.404 201 HD2 PHE 27 1HD PHE 27 8.301 -6.328 3.628 202 HE1 PHE 27 2HE PHE 27 6.571 -7.758 8.005 203 HE2 PHE 27 1HE PHE 27 5.952 -5.893 4.220 204 HZ PHE 27 HZ PHE 27 5.084 -6.608 6.411 205 H ASP 28 H ASP 28 12.751 -7.642 8.167 206 HA ASP 28 HA ASP 28 13.984 -9.988 6.886 207 HB2 ASP 28 2HB ASP 28 15.242 -7.527 7.847 208 HB3 ASP 28 1HB ASP 28 15.971 -8.982 8.519 209 HA PRO 29 HA PRO 29 12.917 -11.947 10.723 210 HB2 PRO 29 2HB PRO 29 14.285 -14.246 10.440 211 HB3 PRO 29 1HB PRO 29 12.861 -13.880 9.457 212 HG2 PRO 29 2HG PRO 29 15.761 -13.643 8.755 213 HG3 PRO 29 1HG PRO 29 14.422 -14.272 7.780 214 HD2 PRO 29 2HD PRO 29 15.439 -11.750 7.504 215 HD3 PRO 29 1HD PRO 29 13.762 -12.180 7.115 216 H ASP 30 H ASP 30 16.262 -11.504 9.767 217 HA ASP 30 HA ASP 30 17.248 -12.044 12.445 218 HB2 ASP 30 2HB ASP 30 19.474 -11.435 11.413 219 HB3 ASP 30 1HB ASP 30 18.664 -12.823 10.692 220 H SER 31 H SER 31 16.454 -9.324 10.423 221 HA SER 31 HA SER 31 16.345 -7.089 10.824 222 HB2 SER 31 2HB SER 31 16.205 -8.279 13.547 223 HB3 SER 31 1HB SER 31 16.550 -6.552 13.446 224 HG SER 31 HG SER 31 14.265 -7.183 13.536 225 H TYR 32 H TYR 32 18.424 -6.980 9.726 226 HA TYR 32 HA TYR 32 20.407 -5.695 11.409 227 HB2 TYR 32 2HB TYR 32 21.108 -8.047 11.449 228 HB3 TYR 32 1HB TYR 32 21.107 -8.087 9.690 229 HD1 TYR 32 2HD TYR 32 22.585 -5.989 12.418 230 HD2 TYR 32 1HD TYR 32 23.165 -7.929 8.675 231 HE1 TYR 32 2HE TYR 32 24.930 -5.254 12.408 232 HE2 TYR 32 1HE TYR 32 25.512 -7.199 8.654 233 HH TYR 32 HH TYR 32 26.725 -4.844 10.758 Start of MODEL 3 1 H1 SER 1 1HT SER 1 -21.301 -5.127 -4.863 2 H2 SER 1 2HT SER 1 -21.291 -4.203 -6.308 3 H3 SER 1 3HT SER 1 -22.642 -4.134 -5.253 4 HA SER 1 HA SER 1 -21.357 -2.189 -5.004 5 HB2 SER 1 2HB SER 1 -20.675 -3.832 -2.593 6 HB3 SER 1 1HB SER 1 -21.368 -2.213 -2.682 7 HG SER 1 HG SER 1 -22.676 -4.393 -2.256 8 H VAL 2 H VAL 2 -19.584 -2.298 -6.538 9 HA VAL 2 HA VAL 2 -17.092 -3.482 -5.641 10 HB VAL 2 HB VAL 2 -17.530 -1.754 -8.076 11 HG11 VAL 2 1HG1 VAL 2 -15.267 -1.909 -7.950 12 HG12 VAL 2 2HG1 VAL 2 -15.588 -3.436 -8.772 13 HG13 VAL 2 3HG1 VAL 2 -15.309 -3.415 -7.031 14 HG21 VAL 2 3HG2 VAL 2 -17.954 -3.721 -9.354 15 HG22 VAL 2 1HG2 VAL 2 -19.062 -3.735 -7.983 16 HG23 VAL 2 2HG2 VAL 2 -17.630 -4.763 -7.968 17 H GLN 3 H GLN 3 -15.167 -2.314 -5.273 18 HA GLN 3 HA GLN 3 -15.565 0.171 -3.901 19 HB2 GLN 3 2HB GLN 3 -13.007 -1.300 -4.565 20 HB3 GLN 3 1HB GLN 3 -13.146 0.054 -3.451 21 HG2 GLN 3 2HG GLN 3 -14.657 -1.302 -2.048 22 HG3 GLN 3 1HG GLN 3 -14.404 -2.663 -3.140 23 HE21 GLN 3 1HE2 GLN 3 -12.734 -3.965 -2.779 24 HE22 GLN 3 2HE2 GLN 3 -11.452 -3.665 -1.660 25 H ILE 4 H ILE 4 -15.529 2.127 -4.771 26 HA ILE 4 HA ILE 4 -14.305 2.474 -7.418 27 HB ILE 4 HB ILE 4 -16.188 4.389 -6.051 28 HG12 ILE 4 2HG1 ILE 4 -17.698 3.228 -7.984 29 HG13 ILE 4 1HG1 ILE 4 -16.720 1.854 -7.477 30 HG21 ILE 4 1HG2 ILE 4 -15.370 5.637 -7.745 31 HG22 ILE 4 2HG2 ILE 4 -16.551 4.733 -8.692 32 HG23 ILE 4 3HG2 ILE 4 -14.861 4.231 -8.679 33 HD11 ILE 4 3HD1 ILE 4 -18.481 1.632 -6.061 34 HD12 ILE 4 1HD1 ILE 4 -18.788 3.367 -5.989 35 HD13 ILE 4 2HD1 ILE 4 -17.447 2.671 -5.080 36 H LEU 5 H LEU 5 -12.770 2.431 -4.937 37 HA LEU 5 HA LEU 5 -11.065 4.604 -5.405 38 HB2 LEU 5 2HB LEU 5 -12.823 5.950 -4.404 39 HB3 LEU 5 1HB LEU 5 -12.864 4.902 -3.000 40 HG LEU 5 HG LEU 5 -10.302 5.633 -2.859 41 HD11 LEU 5 1HD1 LEU 5 -11.576 8.120 -3.955 42 HD12 LEU 5 2HD1 LEU 5 -10.642 7.018 -4.967 43 HD13 LEU 5 3HD1 LEU 5 -9.876 7.819 -3.593 44 HD21 LEU 5 3HD2 LEU 5 -11.525 6.004 -0.959 45 HD22 LEU 5 1HD2 LEU 5 -12.798 6.876 -1.816 46 HD23 LEU 5 2HD2 LEU 5 -11.254 7.665 -1.488 47 H ARG 6 H ARG 6 -9.916 2.499 -5.363 48 HA ARG 6 HA ARG 6 -8.337 2.260 -3.055 49 HB2 ARG 6 2HB ARG 6 -10.561 1.173 -2.334 50 HB3 ARG 6 1HB ARG 6 -10.111 -0.145 -3.407 51 HG2 ARG 6 2HG ARG 6 -7.840 0.120 -1.963 52 HG3 ARG 6 1HG ARG 6 -9.052 0.594 -0.771 53 HD2 ARG 6 2HD ARG 6 -9.963 -1.720 -2.185 54 HD3 ARG 6 1HD ARG 6 -8.331 -2.009 -1.584 55 HE ARG 6 HE ARG 6 -10.720 -1.836 -0.040 56 HH11 ARG 6 1HH1 ARG 6 -7.290 -1.206 0.039 57 HH12 ARG 6 2HH1 ARG 6 -7.174 -1.360 1.760 58 HH21 ARG 6 1HH2 ARG 6 -10.571 -2.036 2.224 59 HH22 ARG 6 2HH2 ARG 6 -9.036 -1.831 3.001 60 H CYS 7 H CYS 7 -6.463 1.262 -3.553 61 HA CYS 7 HA CYS 7 -6.114 0.311 -6.247 62 HB2 CYS 7 2HB CYS 7 -4.256 0.747 -3.919 63 HB3 CYS 7 1HB CYS 7 -3.710 -0.054 -5.387 64 HA PRO 8 HA PRO 8 -6.312 -4.062 -5.905 65 HB2 PRO 8 2HB PRO 8 -3.413 -4.219 -6.561 66 HB3 PRO 8 1HB PRO 8 -4.786 -5.027 -7.325 67 HG2 PRO 8 2HG PRO 8 -3.592 -2.948 -8.499 68 HG3 PRO 8 1HG PRO 8 -5.349 -3.173 -8.589 69 HD2 PRO 8 2HD PRO 8 -3.766 -1.250 -6.956 70 HD3 PRO 8 1HD PRO 8 -5.368 -1.058 -7.693 71 H ASP 9 H ASP 9 -5.054 -6.013 -4.941 72 HA ASP 9 HA ASP 9 -4.714 -5.522 -2.179 73 HB2 ASP 9 2HB ASP 9 -5.332 -7.716 -3.564 74 HB3 ASP 9 1HB ASP 9 -3.607 -8.013 -3.379 75 H GLY 10 H GLY 10 -3.022 -4.632 -1.214 76 HA2 GLY 10 2HA GLY 10 -0.679 -4.940 -0.594 77 HA3 GLY 10 1HA GLY 10 -0.336 -5.221 -2.293 78 H MET 11 H MET 11 -2.270 -2.932 -2.914 79 HA MET 11 HA MET 11 -0.486 -0.719 -2.146 80 HB2 MET 11 2HB MET 11 -1.066 0.236 -4.459 81 HB3 MET 11 1HB MET 11 0.100 -1.077 -4.386 82 HG2 MET 11 2HG MET 11 -2.706 -1.887 -4.731 83 HG3 MET 11 1HG MET 11 -1.989 -0.999 -6.076 84 HE1 MET 11 3HE MET 11 0.611 -2.681 -7.506 85 HE2 MET 11 1HE MET 11 1.407 -2.878 -5.945 86 HE3 MET 11 2HE MET 11 0.565 -1.375 -6.323 87 H GLN 12 H GLN 12 -1.482 1.424 -2.291 88 HA GLN 12 HA GLN 12 -4.409 1.375 -2.036 89 HB2 GLN 12 2HB GLN 12 -2.397 2.487 -0.107 90 HB3 GLN 12 1HB GLN 12 -4.005 3.188 -0.212 91 HG2 GLN 12 2HG GLN 12 -3.524 0.264 0.271 92 HG3 GLN 12 1HG GLN 12 -3.667 1.448 1.569 93 HE21 GLN 12 1HE2 GLN 12 -5.583 1.305 2.475 94 HE22 GLN 12 2HE2 GLN 12 -7.088 1.093 1.654 95 H MET 13 H MET 13 -5.482 3.219 -2.726 96 HA MET 13 HA MET 13 -4.179 4.748 -4.730 97 HB2 MET 13 2HB MET 13 -6.752 4.106 -4.268 98 HB3 MET 13 1HB MET 13 -6.741 5.738 -3.614 99 HG2 MET 13 2HG MET 13 -5.738 6.483 -5.799 100 HG3 MET 13 1HG MET 13 -6.089 4.868 -6.413 101 HE1 MET 13 3HE MET 13 -8.210 4.660 -7.943 102 HE2 MET 13 1HE MET 13 -7.296 6.116 -8.333 103 HE3 MET 13 2HE MET 13 -9.058 6.176 -8.251 104 H LEU 14 H LEU 14 -3.069 6.578 -4.574 105 HA LEU 14 HA LEU 14 -2.904 7.918 -1.996 106 HB2 LEU 14 2HB LEU 14 -1.357 8.249 -4.566 107 HB3 LEU 14 1HB LEU 14 -1.090 9.235 -3.141 108 HG LEU 14 HG LEU 14 -0.656 6.258 -3.374 109 HD11 LEU 14 1HD1 LEU 14 1.228 7.126 -4.308 110 HD12 LEU 14 2HD1 LEU 14 1.691 7.206 -2.608 111 HD13 LEU 14 3HD1 LEU 14 1.098 8.650 -3.429 112 HD21 LEU 14 3HD2 LEU 14 0.437 6.894 -1.015 113 HD22 LEU 14 1HD2 LEU 14 -1.223 6.320 -1.183 114 HD23 LEU 14 2HD2 LEU 14 -0.899 8.046 -1.034 115 H ARG 15 H ARG 15 -2.696 10.395 -2.121 116 HA ARG 15 HA ARG 15 -5.168 11.477 -2.826 117 HB2 ARG 15 2HB ARG 15 -3.688 12.476 -1.143 118 HB3 ARG 15 1HB ARG 15 -2.543 12.916 -2.404 119 HG2 ARG 15 2HG ARG 15 -4.779 14.096 -3.347 120 HG3 ARG 15 1HG ARG 15 -5.067 14.193 -1.608 121 HD2 ARG 15 2HD ARG 15 -2.708 15.125 -1.428 122 HD3 ARG 15 1HD ARG 15 -2.755 15.298 -3.181 123 HE ARG 15 HE ARG 15 -4.160 17.094 -2.938 124 HH11 ARG 15 1HH1 ARG 15 -3.980 15.370 0.091 125 HH12 ARG 15 2HH1 ARG 15 -4.833 16.587 0.978 126 HH21 ARG 15 1HH2 ARG 15 -5.284 18.695 -1.772 127 HH22 ARG 15 2HH2 ARG 15 -5.575 18.474 -0.079 128 H SER 16 H SER 16 -2.203 11.185 -4.645 129 HA SER 16 HA SER 16 -3.081 12.957 -6.751 130 HB2 SER 16 2HB SER 16 -0.642 11.348 -6.181 131 HB3 SER 16 1HB SER 16 -0.980 11.734 -7.868 132 HG SER 16 HG SER 16 0.308 13.278 -6.471 133 H GLY 17 H GLY 17 -3.119 9.538 -6.063 134 HA2 GLY 17 2HA GLY 17 -4.997 8.378 -7.248 135 HA3 GLY 17 1HA GLY 17 -4.329 9.066 -8.720 136 H GLN 18 H GLN 18 -1.554 8.593 -7.705 137 HA GLN 18 HA GLN 18 -1.107 6.110 -8.937 138 HB2 GLN 18 2HB GLN 18 0.552 7.994 -7.324 139 HB3 GLN 18 1HB GLN 18 1.174 6.376 -7.617 140 HG2 GLN 18 2HG GLN 18 0.152 7.937 -9.928 141 HG3 GLN 18 1HG GLN 18 1.713 8.376 -9.233 142 HE21 GLN 18 1HE2 GLN 18 3.432 7.312 -9.917 143 HE22 GLN 18 2HE2 GLN 18 3.420 5.820 -10.788 144 H CYS 19 H CYS 19 -0.550 4.091 -8.107 145 HA CYS 19 HA CYS 19 -1.737 3.493 -5.531 146 HB2 CYS 19 2HB CYS 19 -0.717 1.825 -7.817 147 HB3 CYS 19 1HB CYS 19 -1.117 1.100 -6.268 148 H VAL 20 H VAL 20 -0.571 3.525 -3.734 149 HA VAL 20 HA VAL 20 2.335 3.183 -3.906 150 HB VAL 20 HB VAL 20 1.532 5.209 -2.774 151 HG11 VAL 20 1HG1 VAL 20 -0.564 4.505 -1.888 152 HG12 VAL 20 2HG1 VAL 20 0.459 4.950 -0.522 153 HG13 VAL 20 3HG1 VAL 20 0.200 3.250 -0.913 154 HG21 VAL 20 3HG2 VAL 20 3.031 5.133 -0.985 155 HG22 VAL 20 1HG2 VAL 20 3.635 3.901 -2.092 156 HG23 VAL 20 2HG2 VAL 20 2.711 3.430 -0.666 157 H ALA 21 H ALA 21 3.413 1.568 -2.879 158 HA ALA 21 HA ALA 21 1.985 -0.788 -2.195 159 HB1 ALA 21 1HB ALA 21 4.499 -0.325 -3.022 160 HB2 ALA 21 2HB ALA 21 3.996 -1.819 -2.230 161 HB3 ALA 21 3HB ALA 21 4.786 -0.547 -1.296 162 H THR 22 H THR 22 0.681 -0.659 -0.443 163 HA THR 22 HA THR 22 1.648 0.556 2.014 164 HB THR 22 HB THR 22 -0.755 -0.338 2.732 165 HG1 THR 22 1HG THR 22 -1.273 -1.431 0.884 166 HG21 THR 22 3HG2 THR 22 -0.621 1.975 0.829 167 HG22 THR 22 1HG2 THR 22 -0.008 2.058 2.481 168 HG23 THR 22 2HG2 THR 22 -1.717 1.733 2.190 169 H THR 23 H THR 23 3.301 -1.416 1.692 170 HA THR 23 HA THR 23 2.676 -3.223 3.837 171 HB THR 23 HB THR 23 3.273 -4.450 1.144 172 HG1 THR 23 1HG THR 23 0.777 -4.258 2.478 173 HG21 THR 23 3HG2 THR 23 1.892 -6.127 3.012 174 HG22 THR 23 1HG2 THR 23 3.390 -5.522 3.716 175 HG23 THR 23 2HG2 THR 23 3.425 -6.393 2.182 176 H GLU 24 H GLU 24 4.656 -1.185 3.188 177 HA GLU 24 HA GLU 24 7.133 -2.408 2.547 178 HB2 GLU 24 2HB GLU 24 6.833 0.122 4.147 179 HB3 GLU 24 1HB GLU 24 8.114 -0.322 3.029 180 HG2 GLU 24 2HG GLU 24 6.344 -0.257 1.212 181 HG3 GLU 24 1HG GLU 24 5.316 0.542 2.399 182 HA PRO 25 HA PRO 25 7.546 -4.270 6.645 183 HB2 PRO 25 2HB PRO 25 9.688 -5.805 6.069 184 HB3 PRO 25 1HB PRO 25 8.053 -6.231 5.549 185 HG2 PRO 25 2HG PRO 25 10.254 -4.927 3.994 186 HG3 PRO 25 1HG PRO 25 9.149 -6.222 3.496 187 HD2 PRO 25 2HD PRO 25 8.794 -3.619 2.795 188 HD3 PRO 25 1HD PRO 25 7.445 -4.752 3.019 189 HA PRO 26 HA PRO 26 10.773 -1.274 7.768 190 HB2 PRO 26 2HB PRO 26 9.984 -0.892 10.304 191 HB3 PRO 26 1HB PRO 26 9.112 -0.171 8.944 192 HG2 PRO 26 2HG PRO 26 8.455 -2.624 10.529 193 HG3 PRO 26 1HG PRO 26 7.378 -1.332 9.969 194 HD2 PRO 26 2HD PRO 26 7.647 -3.745 8.702 195 HD3 PRO 26 1HD PRO 26 7.167 -2.247 7.879 196 H PHE 27 H PHE 27 12.505 -1.271 9.359 197 HA PHE 27 HA PHE 27 14.212 -2.257 10.490 198 HB2 PHE 27 2HB PHE 27 12.530 -2.553 12.234 199 HB3 PHE 27 1HB PHE 27 11.985 -4.048 11.480 200 HD1 PHE 27 1HD PHE 27 15.210 -2.567 12.649 201 HD2 PHE 27 2HD PHE 27 12.671 -5.979 12.493 202 HE1 PHE 27 1HE PHE 27 16.834 -3.831 13.998 203 HE2 PHE 27 2HE PHE 27 14.291 -7.249 13.841 204 HZ PHE 27 HZ PHE 27 16.375 -6.176 14.594 205 H ASP 28 H ASP 28 15.604 -4.150 10.555 206 HA ASP 28 HA ASP 28 15.372 -5.693 8.113 207 HB2 ASP 28 2HB ASP 28 17.523 -4.801 9.838 208 HB3 ASP 28 1HB ASP 28 17.669 -6.521 9.491 209 HA PRO 29 HA PRO 29 14.249 -9.536 9.958 210 HB2 PRO 29 2HB PRO 29 15.784 -11.373 8.733 211 HB3 PRO 29 1HB PRO 29 14.551 -10.455 7.862 212 HG2 PRO 29 2HG PRO 29 17.511 -10.047 7.948 213 HG3 PRO 29 1HG PRO 29 16.403 -9.929 6.570 214 HD2 PRO 29 2HD PRO 29 17.354 -7.768 7.973 215 HD3 PRO 29 1HD PRO 29 15.830 -7.769 7.066 216 H ASP 30 H ASP 30 15.471 -11.802 10.660 217 HA ASP 30 HA ASP 30 16.668 -11.228 13.118 218 HB2 ASP 30 2HB ASP 30 17.170 -13.631 13.240 219 HB3 ASP 30 1HB ASP 30 15.533 -13.351 12.655 220 H SER 31 H SER 31 18.057 -11.761 9.957 221 HA SER 31 HA SER 31 20.739 -12.135 10.841 222 HB2 SER 31 2HB SER 31 19.497 -12.549 8.480 223 HB3 SER 31 1HB SER 31 20.277 -11.004 8.140 224 HG SER 31 HG SER 31 22.236 -12.088 9.010 225 H TYR 32 H TYR 32 22.285 -10.687 11.310 226 HA TYR 32 HA TYR 32 21.594 -7.974 11.763 227 HB2 TYR 32 2HB TYR 32 24.072 -9.614 12.005 228 HB3 TYR 32 1HB TYR 32 24.243 -7.861 11.983 229 HD1 TYR 32 2HD TYR 32 21.869 -6.990 13.472 230 HD2 TYR 32 1HD TYR 32 24.499 -10.254 14.199 231 HE1 TYR 32 2HE TYR 32 21.305 -6.903 15.863 232 HE2 TYR 32 1HE TYR 32 23.943 -10.177 16.593 233 HH TYR 32 HH TYR 32 21.859 -9.313 17.973 Start of MODEL 4 1 H1 SER 1 1HT SER 1 -22.084 -4.067 -11.518 2 H2 SER 1 2HT SER 1 -21.880 -5.713 -11.966 3 H3 SER 1 3HT SER 1 -22.108 -4.514 -13.173 4 HA SER 1 HA SER 1 -19.821 -5.276 -12.957 5 HB2 SER 1 2HB SER 1 -20.805 -2.489 -12.707 6 HB3 SER 1 1HB SER 1 -19.075 -2.725 -12.463 7 HG SER 1 HG SER 1 -20.627 -3.373 -14.738 8 H VAL 2 H VAL 2 -17.822 -4.099 -11.681 9 HA VAL 2 HA VAL 2 -18.243 -4.153 -8.811 10 HB VAL 2 HB VAL 2 -16.266 -6.070 -10.045 11 HG11 VAL 2 1HG1 VAL 2 -15.435 -5.635 -7.951 12 HG12 VAL 2 2HG1 VAL 2 -16.523 -6.977 -7.595 13 HG13 VAL 2 3HG1 VAL 2 -17.029 -5.320 -7.264 14 HG21 VAL 2 3HG2 VAL 2 -17.821 -7.846 -9.224 15 HG22 VAL 2 1HG2 VAL 2 -18.448 -6.898 -10.575 16 HG23 VAL 2 2HG2 VAL 2 -19.021 -6.585 -8.936 17 H GLN 3 H GLN 3 -16.412 -3.389 -7.605 18 HA GLN 3 HA GLN 3 -14.923 -1.392 -9.045 19 HB2 GLN 3 2HB GLN 3 -15.905 -1.452 -6.549 20 HB3 GLN 3 1HB GLN 3 -14.267 -1.997 -6.213 21 HG2 GLN 3 2HG GLN 3 -13.344 0.000 -7.157 22 HG3 GLN 3 1HG GLN 3 -14.932 0.523 -7.715 23 HE21 GLN 3 1HE2 GLN 3 -12.684 0.610 -5.206 24 HE22 GLN 3 2HE2 GLN 3 -13.665 1.389 -4.017 25 H ILE 4 H ILE 4 -13.070 -1.773 -10.049 26 HA ILE 4 HA ILE 4 -11.380 -3.986 -9.111 27 HB ILE 4 HB ILE 4 -10.291 -3.571 -11.450 28 HG12 ILE 4 2HG1 ILE 4 -11.900 -2.835 -13.152 29 HG13 ILE 4 1HG1 ILE 4 -13.081 -2.490 -11.892 30 HG21 ILE 4 1HG2 ILE 4 -12.377 -4.984 -12.382 31 HG22 ILE 4 2HG2 ILE 4 -12.666 -5.113 -10.647 32 HG23 ILE 4 3HG2 ILE 4 -11.133 -5.657 -11.329 33 HD11 ILE 4 3HD1 ILE 4 -12.062 -0.566 -11.276 34 HD12 ILE 4 1HD1 ILE 4 -11.537 -0.621 -12.959 35 HD13 ILE 4 2HD1 ILE 4 -10.450 -1.159 -11.679 36 H LEU 5 H LEU 5 -11.410 -1.308 -7.942 37 HA LEU 5 HA LEU 5 -8.564 -0.797 -8.097 38 HB2 LEU 5 2HB LEU 5 -10.175 0.688 -9.735 39 HB3 LEU 5 1HB LEU 5 -10.100 1.697 -8.303 40 HG LEU 5 HG LEU 5 -7.523 0.650 -9.337 41 HD11 LEU 5 1HD1 LEU 5 -8.566 3.107 -10.632 42 HD12 LEU 5 2HD1 LEU 5 -9.114 1.550 -11.254 43 HD13 LEU 5 3HD1 LEU 5 -7.391 1.928 -11.214 44 HD21 LEU 5 3HD2 LEU 5 -8.056 2.246 -7.323 45 HD22 LEU 5 1HD2 LEU 5 -8.108 3.473 -8.588 46 HD23 LEU 5 2HD2 LEU 5 -6.644 2.520 -8.345 47 H ARG 6 H ARG 6 -9.965 -1.879 -6.018 48 HA ARG 6 HA ARG 6 -10.660 0.193 -4.122 49 HB2 ARG 6 2HB ARG 6 -11.578 -2.302 -4.410 50 HB3 ARG 6 1HB ARG 6 -10.296 -2.627 -3.253 51 HG2 ARG 6 2HG ARG 6 -11.314 -1.443 -1.577 52 HG3 ARG 6 1HG ARG 6 -12.198 -0.407 -2.700 53 HD2 ARG 6 2HD ARG 6 -13.917 -1.857 -2.890 54 HD3 ARG 6 1HD ARG 6 -12.865 -3.270 -2.827 55 HE ARG 6 HE ARG 6 -13.195 -3.379 -0.561 56 HH11 ARG 6 1HH1 ARG 6 -14.295 -0.278 -1.724 57 HH12 ARG 6 2HH1 ARG 6 -15.027 0.167 -0.219 58 HH21 ARG 6 1HH2 ARG 6 -14.158 -2.795 1.418 59 HH22 ARG 6 2HH2 ARG 6 -14.949 -1.262 1.565 60 H CYS 7 H CYS 7 -9.654 0.309 -1.985 61 HA CYS 7 HA CYS 7 -6.839 -0.527 -1.953 62 HB2 CYS 7 2HB CYS 7 -7.935 2.240 -1.508 63 HB3 CYS 7 1HB CYS 7 -6.392 1.746 -0.820 64 HA PRO 8 HA PRO 8 -9.304 -1.679 1.914 65 HB2 PRO 8 2HB PRO 8 -7.510 -4.026 1.553 66 HB3 PRO 8 1HB PRO 8 -9.219 -3.973 1.997 67 HG2 PRO 8 2HG PRO 8 -8.474 -4.705 -0.453 68 HG3 PRO 8 1HG PRO 8 -9.917 -3.705 -0.198 69 HD2 PRO 8 2HD PRO 8 -7.209 -2.913 -1.179 70 HD3 PRO 8 1HD PRO 8 -8.807 -2.322 -1.675 71 H ASP 9 H ASP 9 -8.021 -2.928 3.876 72 HA ASP 9 HA ASP 9 -6.285 -1.016 4.938 73 HB2 ASP 9 2HB ASP 9 -7.115 -3.771 5.685 74 HB3 ASP 9 1HB ASP 9 -5.653 -3.145 6.443 75 H GLY 10 H GLY 10 -4.403 -0.497 4.009 76 HA2 GLY 10 2HA GLY 10 -2.042 -1.578 4.201 77 HA3 GLY 10 1HA GLY 10 -2.691 -2.640 2.960 78 H MET 11 H MET 11 -4.248 -0.413 1.766 79 HA MET 11 HA MET 11 -2.011 0.855 0.342 80 HB2 MET 11 2HB MET 11 -4.867 0.419 -0.554 81 HB3 MET 11 1HB MET 11 -3.602 1.174 -1.514 82 HG2 MET 11 2HG MET 11 -2.346 -1.078 -1.067 83 HG3 MET 11 1HG MET 11 -3.976 -1.683 -0.780 84 HE1 MET 11 3HE MET 11 -4.516 -3.111 -2.174 85 HE2 MET 11 1HE MET 11 -4.098 -3.270 -3.880 86 HE3 MET 11 2HE MET 11 -5.576 -2.430 -3.408 87 H GLN 12 H GLN 12 -1.612 2.852 1.023 88 HA GLN 12 HA GLN 12 -3.687 4.468 2.230 89 HB2 GLN 12 2HB GLN 12 -1.318 4.366 3.080 90 HB3 GLN 12 1HB GLN 12 -0.830 5.248 1.639 91 HG2 GLN 12 2HG GLN 12 -2.840 6.817 2.595 92 HG3 GLN 12 1HG GLN 12 -2.126 6.194 4.082 93 HE21 GLN 12 1HE2 GLN 12 -1.532 8.019 1.162 94 HE22 GLN 12 2HE2 GLN 12 -0.099 8.810 1.714 95 H MET 13 H MET 13 -4.854 5.977 1.237 96 HA MET 13 HA MET 13 -4.533 6.422 -1.580 97 HB2 MET 13 2HB MET 13 -6.489 7.259 0.510 98 HB3 MET 13 1HB MET 13 -6.422 8.187 -0.983 99 HG2 MET 13 2HG MET 13 -7.310 6.524 -2.222 100 HG3 MET 13 1HG MET 13 -6.552 5.253 -1.264 101 HE1 MET 13 3HE MET 13 -9.223 7.502 -2.031 102 HE2 MET 13 1HE MET 13 -9.810 7.990 -0.442 103 HE3 MET 13 2HE MET 13 -10.653 6.734 -1.346 104 H LEU 14 H LEU 14 -3.730 8.172 -2.623 105 HA LEU 14 HA LEU 14 -2.299 10.128 -0.985 106 HB2 LEU 14 2HB LEU 14 -2.122 9.427 -3.911 107 HB3 LEU 14 1HB LEU 14 -1.224 10.741 -3.175 108 HG LEU 14 HG LEU 14 -0.950 7.806 -2.527 109 HD11 LEU 14 1HD1 LEU 14 0.286 7.965 -4.416 110 HD12 LEU 14 2HD1 LEU 14 1.486 8.590 -3.284 111 HD13 LEU 14 3HD1 LEU 14 0.520 9.706 -4.250 112 HD21 LEU 14 3HD2 LEU 14 -0.389 8.639 -0.500 113 HD22 LEU 14 1HD2 LEU 14 -0.050 10.250 -1.133 114 HD23 LEU 14 2HD2 LEU 14 1.141 8.962 -1.314 115 H ARG 15 H ARG 15 -2.268 12.402 -1.745 116 HA ARG 15 HA ARG 15 -4.843 13.488 -1.819 117 HB2 ARG 15 2HB ARG 15 -3.672 15.628 -2.422 118 HB3 ARG 15 1HB ARG 15 -3.050 14.824 -0.987 119 HG2 ARG 15 2HG ARG 15 -1.483 13.773 -2.970 120 HG3 ARG 15 1HG ARG 15 -1.735 15.431 -3.517 121 HD2 ARG 15 2HD ARG 15 -0.907 14.796 -0.702 122 HD3 ARG 15 1HD ARG 15 0.273 14.971 -1.999 123 HE ARG 15 HE ARG 15 -1.257 17.229 -2.148 124 HH11 ARG 15 1HH1 ARG 15 0.643 15.699 0.347 125 HH12 ARG 15 2HH1 ARG 15 1.038 17.191 1.134 126 HH21 ARG 15 1HH2 ARG 15 -0.739 19.192 -1.115 127 HH22 ARG 15 2HH2 ARG 15 0.254 19.173 0.306 128 H SER 16 H SER 16 -2.672 12.545 -4.383 129 HA SER 16 HA SER 16 -4.119 13.888 -6.465 130 HB2 SER 16 2HB SER 16 -1.804 12.018 -6.322 131 HB3 SER 16 1HB SER 16 -2.683 12.108 -7.848 132 HG SER 16 HG SER 16 -1.295 13.720 -8.080 133 H GLY 17 H GLY 17 -4.190 10.729 -4.971 134 HA2 GLY 17 2HA GLY 17 -6.534 9.764 -5.174 135 HA3 GLY 17 1HA GLY 17 -6.254 9.887 -6.905 136 H GLN 18 H GLN 18 -3.392 9.131 -6.536 137 HA GLN 18 HA GLN 18 -3.625 6.386 -7.021 138 HB2 GLN 18 2HB GLN 18 -1.650 8.210 -7.345 139 HB3 GLN 18 1HB GLN 18 -1.039 7.334 -5.947 140 HG2 GLN 18 2HG GLN 18 -0.426 5.603 -7.189 141 HG3 GLN 18 1HG GLN 18 -1.995 5.529 -7.990 142 HE21 GLN 18 1HE2 GLN 18 1.256 6.137 -8.383 143 HE22 GLN 18 2HE2 GLN 18 1.200 6.920 -9.922 144 H CYS 19 H CYS 19 -2.293 4.728 -5.718 145 HA CYS 19 HA CYS 19 -2.815 5.082 -2.843 146 HB2 CYS 19 2HB CYS 19 -3.835 3.045 -4.681 147 HB3 CYS 19 1HB CYS 19 -3.066 2.365 -3.251 148 H VAL 20 H VAL 20 -1.041 4.870 -1.661 149 HA VAL 20 HA VAL 20 1.285 3.513 -2.821 150 HB VAL 20 HB VAL 20 1.218 5.249 -0.354 151 HG11 VAL 20 1HG1 VAL 20 3.668 5.477 -0.939 152 HG12 VAL 20 2HG1 VAL 20 3.427 4.147 -2.072 153 HG13 VAL 20 3HG1 VAL 20 3.157 3.897 -0.348 154 HG21 VAL 20 3HG2 VAL 20 1.848 7.112 -1.658 155 HG22 VAL 20 1HG2 VAL 20 0.471 6.393 -2.490 156 HG23 VAL 20 2HG2 VAL 20 2.104 6.119 -3.092 157 H ALA 21 H ALA 21 1.702 1.504 -2.211 158 HA ALA 21 HA ALA 21 0.332 0.156 -0.159 159 HB1 ALA 21 1HB ALA 21 2.037 -1.636 -0.520 160 HB2 ALA 21 2HB ALA 21 2.863 -0.546 -1.632 161 HB3 ALA 21 3HB ALA 21 1.225 -1.092 -1.988 162 H THR 22 H THR 22 0.864 -0.372 1.919 163 HA THR 22 HA THR 22 2.859 1.302 3.190 164 HB THR 22 HB THR 22 0.630 1.040 4.203 165 HG1 THR 22 1HG THR 22 2.673 -0.124 5.787 166 HG21 THR 22 3HG2 THR 22 0.621 -1.522 3.537 167 HG22 THR 22 1HG2 THR 22 -0.299 -0.900 4.908 168 HG23 THR 22 2HG2 THR 22 1.259 -1.683 5.173 169 H THR 23 H THR 23 4.340 -0.209 1.687 170 HA THR 23 HA THR 23 5.341 -2.369 3.424 171 HB THR 23 HB THR 23 6.421 -2.947 0.991 172 HG1 THR 23 1HG THR 23 3.800 -2.000 0.479 173 HG21 THR 23 3HG2 THR 23 4.244 -4.412 0.723 174 HG22 THR 23 1HG2 THR 23 3.995 -3.904 2.394 175 HG23 THR 23 2HG2 THR 23 5.467 -4.768 1.942 176 H GLU 24 H GLU 24 6.024 0.451 3.562 177 HA GLU 24 HA GLU 24 8.492 0.983 2.317 178 HB2 GLU 24 2HB GLU 24 7.727 2.162 4.968 179 HB3 GLU 24 1HB GLU 24 8.599 2.904 3.639 180 HG2 GLU 24 2HG GLU 24 6.706 3.858 3.020 181 HG3 GLU 24 1HG GLU 24 6.112 2.257 2.580 182 HA PRO 25 HA PRO 25 10.236 -0.430 6.788 183 HB2 PRO 25 2HB PRO 25 8.384 -2.774 6.879 184 HB3 PRO 25 1HB PRO 25 9.094 -1.848 8.208 185 HG2 PRO 25 2HG PRO 25 6.558 -1.473 7.511 186 HG3 PRO 25 1HG PRO 25 7.583 -0.104 7.978 187 HD2 PRO 25 2HD PRO 25 6.642 -0.933 5.278 188 HD3 PRO 25 1HD PRO 25 6.960 0.691 5.915 189 HA PRO 26 HA PRO 26 12.339 -2.948 3.588 190 HB2 PRO 26 2HB PRO 26 14.584 -2.441 5.462 191 HB3 PRO 26 1HB PRO 26 14.506 -2.215 3.712 192 HG2 PRO 26 2HG PRO 26 14.453 -0.122 5.363 193 HG3 PRO 26 1HG PRO 26 13.465 -0.152 3.889 194 HD2 PRO 26 2HD PRO 26 12.650 -0.605 6.731 195 HD3 PRO 26 1HD PRO 26 11.791 0.250 5.433 196 H PHE 27 H PHE 27 14.461 -4.530 4.391 197 HA PHE 27 HA PHE 27 13.056 -6.613 5.845 198 HB2 PHE 27 2HB PHE 27 14.699 -6.718 3.695 199 HB3 PHE 27 1HB PHE 27 15.847 -7.071 4.982 200 HD1 PHE 27 1HD PHE 27 12.550 -8.120 3.630 201 HD2 PHE 27 2HD PHE 27 16.024 -9.221 5.827 202 HE1 PHE 27 1HE PHE 27 11.783 -10.457 3.661 203 HE2 PHE 27 2HE PHE 27 15.262 -11.561 5.863 204 HZ PHE 27 HZ PHE 27 13.140 -12.182 4.779 205 H ASP 28 H ASP 28 13.183 -6.710 7.982 206 HA ASP 28 HA ASP 28 14.990 -5.265 9.558 207 HB2 ASP 28 2HB ASP 28 12.716 -6.792 10.016 208 HB3 ASP 28 1HB ASP 28 13.982 -7.665 10.875 209 HA PRO 29 HA PRO 29 17.235 -9.641 10.195 210 HB2 PRO 29 2HB PRO 29 16.693 -10.612 7.428 211 HB3 PRO 29 1HB PRO 29 16.839 -11.527 8.932 212 HG2 PRO 29 2HG PRO 29 14.451 -11.078 7.848 213 HG3 PRO 29 1HG PRO 29 14.678 -11.021 9.607 214 HD2 PRO 29 2HD PRO 29 14.349 -8.784 7.660 215 HD3 PRO 29 1HD PRO 29 13.781 -8.917 9.337 216 H ASP 30 H ASP 30 18.909 -8.091 10.147 217 HA ASP 30 HA ASP 30 20.072 -7.353 7.592 218 HB2 ASP 30 2HB ASP 30 21.614 -5.986 8.932 219 HB3 ASP 30 1HB ASP 30 19.938 -5.670 9.368 220 H SER 31 H SER 31 20.730 -9.485 10.289 221 HA SER 31 HA SER 31 22.468 -11.117 8.769 222 HB2 SER 31 2HB SER 31 23.713 -9.100 10.608 223 HB3 SER 31 1HB SER 31 24.472 -10.679 10.402 224 HG SER 31 HG SER 31 25.347 -9.393 8.854 225 H TYR 32 H TYR 32 20.164 -11.398 10.431 226 HA TYR 32 HA TYR 32 21.099 -13.547 12.116 227 HB2 TYR 32 2HB TYR 32 20.961 -11.165 13.374 228 HB3 TYR 32 1HB TYR 32 19.297 -11.701 13.574 229 HD1 TYR 32 2HD TYR 32 22.820 -12.750 14.143 230 HD2 TYR 32 1HD TYR 32 18.741 -13.228 15.260 231 HE1 TYR 32 2HE TYR 32 23.509 -14.153 16.041 232 HE2 TYR 32 1HE TYR 32 19.420 -14.631 17.160 233 HH TYR 32 HH TYR 32 21.659 -14.825 18.602 Start of MODEL 5 1 H1 SER 1 1HT SER 1 -18.487 3.010 0.191 2 H2 SER 1 2HT SER 1 -20.121 2.600 -0.141 3 H3 SER 1 3HT SER 1 -19.684 4.236 0.145 4 HA SER 1 HA SER 1 -20.080 3.588 -2.202 5 HB2 SER 1 2HB SER 1 -18.067 4.906 -2.933 6 HB3 SER 1 1HB SER 1 -18.964 5.647 -1.608 7 HG SER 1 HG SER 1 -16.617 4.071 -1.343 8 H VAL 2 H VAL 2 -19.740 2.082 -3.699 9 HA VAL 2 HA VAL 2 -17.817 -0.015 -3.227 10 HB VAL 2 HB VAL 2 -20.046 -0.551 -4.104 11 HG11 VAL 2 1HG1 VAL 2 -19.149 0.981 -6.541 12 HG12 VAL 2 2HG1 VAL 2 -20.461 1.416 -5.445 13 HG13 VAL 2 3HG1 VAL 2 -20.594 -0.026 -6.452 14 HG21 VAL 2 3HG2 VAL 2 -19.366 -2.189 -5.649 15 HG22 VAL 2 1HG2 VAL 2 -17.962 -1.919 -4.616 16 HG23 VAL 2 2HG2 VAL 2 -18.022 -1.204 -6.229 17 H GLN 3 H GLN 3 -16.276 -0.730 -4.851 18 HA GLN 3 HA GLN 3 -15.451 1.201 -6.852 19 HB2 GLN 3 2HB GLN 3 -14.156 1.005 -4.279 20 HB3 GLN 3 1HB GLN 3 -13.037 0.561 -5.561 21 HG2 GLN 3 2HG GLN 3 -14.673 3.054 -5.758 22 HG3 GLN 3 1HG GLN 3 -13.182 3.019 -4.816 23 HE21 GLN 3 1HE2 GLN 3 -14.117 4.265 -7.458 24 HE22 GLN 3 2HE2 GLN 3 -12.824 3.906 -8.547 25 H ILE 4 H ILE 4 -13.481 0.343 -8.069 26 HA ILE 4 HA ILE 4 -13.416 -2.594 -8.085 27 HB ILE 4 HB ILE 4 -13.574 -0.996 -10.635 28 HG12 ILE 4 2HG1 ILE 4 -15.835 -2.552 -9.370 29 HG13 ILE 4 1HG1 ILE 4 -15.663 -0.807 -9.218 30 HG21 ILE 4 1HG2 ILE 4 -12.731 -3.559 -10.177 31 HG22 ILE 4 2HG2 ILE 4 -13.341 -2.943 -11.712 32 HG23 ILE 4 3HG2 ILE 4 -14.424 -3.789 -10.609 33 HD11 ILE 4 3HD1 ILE 4 -16.297 -0.423 -11.357 34 HD12 ILE 4 1HD1 ILE 4 -17.159 -1.937 -11.086 35 HD13 ILE 4 2HD1 ILE 4 -15.621 -1.940 -11.950 36 H LEU 5 H LEU 5 -11.537 -0.603 -7.097 37 HA LEU 5 HA LEU 5 -9.347 -0.705 -9.020 38 HB2 LEU 5 2HB LEU 5 -9.909 0.828 -6.532 39 HB3 LEU 5 1HB LEU 5 -8.231 0.554 -6.964 40 HG LEU 5 HG LEU 5 -10.289 1.929 -8.693 41 HD11 LEU 5 1HD1 LEU 5 -9.139 2.996 -6.525 42 HD12 LEU 5 2HD1 LEU 5 -9.513 3.925 -7.977 43 HD13 LEU 5 3HD1 LEU 5 -7.877 3.321 -7.713 44 HD21 LEU 5 3HD2 LEU 5 -7.444 1.124 -9.143 45 HD22 LEU 5 1HD2 LEU 5 -8.106 2.552 -9.938 46 HD23 LEU 5 2HD2 LEU 5 -8.835 0.970 -10.217 47 H ARG 6 H ARG 6 -10.334 -2.043 -5.944 48 HA ARG 6 HA ARG 6 -9.493 -3.703 -4.638 49 HB2 ARG 6 2HB ARG 6 -9.684 -5.018 -6.678 50 HB3 ARG 6 1HB ARG 6 -8.109 -4.453 -7.219 51 HG2 ARG 6 2HG ARG 6 -8.076 -5.723 -4.585 52 HG3 ARG 6 1HG ARG 6 -8.581 -6.788 -5.897 53 HD2 ARG 6 2HD ARG 6 -6.246 -5.114 -6.497 54 HD3 ARG 6 1HD ARG 6 -5.999 -6.290 -5.208 55 HE ARG 6 HE ARG 6 -6.221 -6.832 -7.992 56 HH11 ARG 6 1HH1 ARG 6 -6.946 -8.139 -4.839 57 HH12 ARG 6 2HH1 ARG 6 -6.904 -9.786 -5.373 58 HH21 ARG 6 1HH2 ARG 6 -6.167 -8.996 -8.698 59 HH22 ARG 6 2HH2 ARG 6 -6.462 -10.272 -7.565 60 H CYS 7 H CYS 7 -8.265 -2.730 -3.118 61 HA CYS 7 HA CYS 7 -5.378 -2.664 -3.600 62 HB2 CYS 7 2HB CYS 7 -7.113 -0.360 -2.850 63 HB3 CYS 7 1HB CYS 7 -5.533 -0.475 -2.083 64 HA PRO 8 HA PRO 8 -6.778 -4.831 0.362 65 HB2 PRO 8 2HB PRO 8 -4.539 -6.558 -0.564 66 HB3 PRO 8 1HB PRO 8 -6.112 -7.013 0.099 67 HG2 PRO 8 2HG PRO 8 -5.616 -7.261 -2.505 68 HG3 PRO 8 1HG PRO 8 -7.202 -6.718 -1.928 69 HD2 PRO 8 2HD PRO 8 -4.969 -5.128 -3.119 70 HD3 PRO 8 1HD PRO 8 -6.723 -4.944 -3.329 71 H ASP 9 H ASP 9 -4.852 -5.933 1.879 72 HA ASP 9 HA ASP 9 -3.563 -3.773 3.059 73 HB2 ASP 9 2HB ASP 9 -3.357 -6.729 3.289 74 HB3 ASP 9 1HB ASP 9 -2.031 -5.783 3.956 75 H GLY 10 H GLY 10 -1.690 -2.736 2.728 76 HA2 GLY 10 2HA GLY 10 0.661 -2.786 2.127 77 HA3 GLY 10 1HA GLY 10 0.257 -3.948 0.871 78 H MET 11 H MET 11 -2.148 -2.409 0.091 79 HA MET 11 HA MET 11 -0.793 -0.176 -1.278 80 HB2 MET 11 2HB MET 11 -2.974 -1.992 -2.315 81 HB3 MET 11 1HB MET 11 -2.391 -0.561 -3.153 82 HG2 MET 11 2HG MET 11 -0.329 -1.518 -3.619 83 HG3 MET 11 1HG MET 11 -0.506 -2.743 -2.363 84 HE1 MET 11 3HE MET 11 -1.934 -2.663 -6.618 85 HE2 MET 11 1HE MET 11 -1.611 -1.291 -5.558 86 HE3 MET 11 2HE MET 11 -3.215 -2.023 -5.589 87 H GLN 12 H GLN 12 -1.468 1.680 -0.432 88 HA GLN 12 HA GLN 12 -4.315 1.938 0.285 89 HB2 GLN 12 2HB GLN 12 -1.825 2.928 1.571 90 HB3 GLN 12 1HB GLN 12 -3.231 3.984 1.625 91 HG2 GLN 12 2HG GLN 12 -4.198 2.768 3.207 92 HG3 GLN 12 1HG GLN 12 -3.908 1.264 2.334 93 HE21 GLN 12 1HE2 GLN 12 -2.448 3.620 4.501 94 HE22 GLN 12 2HE2 GLN 12 -1.319 2.531 5.225 95 H MET 13 H MET 13 -5.447 3.749 -0.367 96 HA MET 13 HA MET 13 -4.439 5.043 -2.736 97 HB2 MET 13 2HB MET 13 -6.695 6.171 -2.711 98 HB3 MET 13 1HB MET 13 -6.734 4.414 -2.788 99 HG2 MET 13 2HG MET 13 -7.664 4.203 -0.740 100 HG3 MET 13 1HG MET 13 -6.846 5.624 -0.098 101 HE1 MET 13 3HE MET 13 -8.744 6.155 1.214 102 HE2 MET 13 1HE MET 13 -10.165 7.044 0.666 103 HE3 MET 13 2HE MET 13 -8.569 7.788 0.573 104 H LEU 14 H LEU 14 -4.053 7.236 -3.024 105 HA LEU 14 HA LEU 14 -3.530 8.716 -0.540 106 HB2 LEU 14 2HB LEU 14 -2.150 10.175 -2.179 107 HB3 LEU 14 1HB LEU 14 -1.515 8.626 -1.661 108 HG LEU 14 HG LEU 14 -3.091 8.684 -4.181 109 HD11 LEU 14 1HD1 LEU 14 -1.400 9.574 -5.505 110 HD12 LEU 14 2HD1 LEU 14 -0.194 9.442 -4.223 111 HD13 LEU 14 3HD1 LEU 14 -1.457 10.670 -4.124 112 HD21 LEU 14 3HD2 LEU 14 -2.159 6.607 -3.183 113 HD22 LEU 14 1HD2 LEU 14 -0.542 7.270 -3.419 114 HD23 LEU 14 2HD2 LEU 14 -1.572 6.940 -4.813 115 H ARG 15 H ARG 15 -3.492 11.246 -1.152 116 HA ARG 15 HA ARG 15 -6.177 12.004 -1.381 117 HB2 ARG 15 2HB ARG 15 -3.693 13.682 -1.780 118 HB3 ARG 15 1HB ARG 15 -5.315 14.314 -1.533 119 HG2 ARG 15 2HG ARG 15 -4.597 14.448 0.600 120 HG3 ARG 15 1HG ARG 15 -5.134 12.768 0.636 121 HD2 ARG 15 2HD ARG 15 -3.067 12.059 1.043 122 HD3 ARG 15 1HD ARG 15 -2.444 12.925 -0.361 123 HE ARG 15 HE ARG 15 -2.306 13.748 2.388 124 HH11 ARG 15 1HH1 ARG 15 -2.286 14.839 -0.927 125 HH12 ARG 15 2HH1 ARG 15 -1.436 16.305 -0.571 126 HH21 ARG 15 1HH2 ARG 15 -1.186 15.675 2.859 127 HH22 ARG 15 2HH2 ARG 15 -0.811 16.780 1.577 128 H SER 16 H SER 16 -3.612 11.796 -3.769 129 HA SER 16 HA SER 16 -4.941 13.175 -5.847 130 HB2 SER 16 2HB SER 16 -2.580 11.389 -5.632 131 HB3 SER 16 1HB SER 16 -3.315 11.536 -7.228 132 HG SER 16 HG SER 16 -3.172 13.891 -6.811 133 H GLY 17 H GLY 17 -5.096 9.888 -4.684 134 HA2 GLY 17 2HA GLY 17 -7.275 8.788 -5.159 135 HA3 GLY 17 1HA GLY 17 -7.040 9.283 -6.829 136 H GLN 18 H GLN 18 -4.176 8.661 -6.786 137 HA GLN 18 HA GLN 18 -4.284 6.020 -7.719 138 HB2 GLN 18 2HB GLN 18 -1.813 7.446 -6.731 139 HB3 GLN 18 1HB GLN 18 -1.890 6.138 -7.903 140 HG2 GLN 18 2HG GLN 18 -2.327 7.525 -9.594 141 HG3 GLN 18 1HG GLN 18 -3.483 8.463 -8.651 142 HE21 GLN 18 1HE2 GLN 18 -2.814 10.476 -9.147 143 HE22 GLN 18 2HE2 GLN 18 -1.252 11.107 -8.767 144 H CYS 19 H CYS 19 -2.768 4.266 -6.839 145 HA CYS 19 HA CYS 19 -3.215 4.032 -3.937 146 HB2 CYS 19 2HB CYS 19 -4.244 2.405 -5.832 147 HB3 CYS 19 1HB CYS 19 -2.719 1.580 -5.522 148 H VAL 20 H VAL 20 -1.364 4.507 -2.933 149 HA VAL 20 HA VAL 20 1.181 3.669 -4.098 150 HB VAL 20 HB VAL 20 1.002 5.979 -3.279 151 HG11 VAL 20 1HG1 VAL 20 0.520 4.675 -0.605 152 HG12 VAL 20 2HG1 VAL 20 -0.585 5.719 -1.498 153 HG13 VAL 20 3HG1 VAL 20 0.906 6.381 -0.829 154 HG21 VAL 20 3HG2 VAL 20 3.114 6.069 -2.351 155 HG22 VAL 20 1HG2 VAL 20 3.130 4.483 -3.123 156 HG23 VAL 20 2HG2 VAL 20 2.868 4.615 -1.385 157 H ALA 21 H ALA 21 2.673 2.368 -3.016 158 HA ALA 21 HA ALA 21 1.476 0.468 -1.170 159 HB1 ALA 21 1HB ALA 21 3.522 -0.841 -1.534 160 HB2 ALA 21 2HB ALA 21 4.174 0.470 -2.518 161 HB3 ALA 21 3HB ALA 21 2.737 -0.403 -3.053 162 H THR 22 H THR 22 1.825 0.427 0.958 163 HA THR 22 HA THR 22 3.616 2.404 2.117 164 HB THR 22 HB THR 22 1.337 2.212 3.000 165 HG1 THR 22 1HG THR 22 1.995 2.515 4.992 166 HG21 THR 22 3HG2 THR 22 0.344 0.342 3.699 167 HG22 THR 22 1HG2 THR 22 1.808 -0.270 4.467 168 HG23 THR 22 2HG2 THR 22 1.569 -0.479 2.731 169 H THR 23 H THR 23 5.141 0.585 0.880 170 HA THR 23 HA THR 23 6.642 -0.547 3.053 171 HB THR 23 HB THR 23 5.081 -2.365 2.759 172 HG1 THR 23 1HG THR 23 7.479 -3.056 1.419 173 HG21 THR 23 3HG2 THR 23 5.913 -2.632 -0.109 174 HG22 THR 23 1HG2 THR 23 4.458 -1.765 0.386 175 HG23 THR 23 2HG2 THR 23 4.627 -3.481 0.750 176 H GLU 24 H GLU 24 7.667 1.350 1.709 177 HA GLU 24 HA GLU 24 8.886 0.625 -0.776 178 HB2 GLU 24 2HB GLU 24 8.565 2.994 0.775 179 HB3 GLU 24 1HB GLU 24 10.281 2.790 0.450 180 HG2 GLU 24 2HG GLU 24 8.443 2.409 -1.830 181 HG3 GLU 24 1HG GLU 24 8.614 4.050 -1.206 182 HA PRO 25 HA PRO 25 12.935 0.253 1.788 183 HB2 PRO 25 2HB PRO 25 12.823 0.470 4.479 184 HB3 PRO 25 1HB PRO 25 12.997 1.874 3.421 185 HG2 PRO 25 2HG PRO 25 10.538 0.796 4.748 186 HG3 PRO 25 1HG PRO 25 11.081 2.476 4.597 187 HD2 PRO 25 2HD PRO 25 9.184 1.394 2.985 188 HD3 PRO 25 1HD PRO 25 10.290 2.671 2.444 189 HA PRO 26 HA PRO 26 11.506 -3.993 2.596 190 HB2 PRO 26 2HB PRO 26 14.122 -4.762 1.541 191 HB3 PRO 26 1HB PRO 26 12.515 -5.130 0.911 192 HG2 PRO 26 2HG PRO 26 14.216 -3.441 -0.341 193 HG3 PRO 26 1HG PRO 26 12.454 -3.246 -0.404 194 HD2 PRO 26 2HD PRO 26 14.463 -1.800 1.286 195 HD3 PRO 26 1HD PRO 26 13.051 -1.159 0.418 196 H PHE 27 H PHE 27 13.414 -5.930 3.190 197 HA PHE 27 HA PHE 27 14.509 -6.834 4.965 198 HB2 PHE 27 2HB PHE 27 16.328 -5.414 4.164 199 HB3 PHE 27 1HB PHE 27 15.706 -4.059 5.097 200 HD1 PHE 27 1HD PHE 27 17.140 -7.461 5.403 201 HD2 PHE 27 2HD PHE 27 16.333 -3.752 7.329 202 HE1 PHE 27 1HE PHE 27 18.514 -8.162 7.320 203 HE2 PHE 27 2HE PHE 27 17.706 -4.447 9.249 204 HZ PHE 27 HZ PHE 27 18.799 -6.654 9.247 205 H ASP 28 H ASP 28 13.093 -7.340 6.530 206 HA ASP 28 HA ASP 28 11.747 -5.368 8.107 207 HB2 ASP 28 2HB ASP 28 10.960 -7.400 9.391 208 HB3 ASP 28 1HB ASP 28 10.561 -7.390 7.678 209 HA PRO 29 HA PRO 29 14.696 -4.938 11.364 210 HB2 PRO 29 2HB PRO 29 13.093 -4.283 13.437 211 HB3 PRO 29 1HB PRO 29 13.392 -3.181 12.087 212 HG2 PRO 29 2HG PRO 29 11.043 -4.965 12.593 213 HG3 PRO 29 1HG PRO 29 11.071 -3.291 12.009 214 HD2 PRO 29 2HD PRO 29 10.754 -5.440 10.364 215 HD3 PRO 29 1HD PRO 29 11.516 -3.922 9.845 216 H ASP 30 H ASP 30 15.162 -5.680 13.641 217 HA ASP 30 HA ASP 30 15.585 -7.387 15.082 218 HB2 ASP 30 2HB ASP 30 13.268 -6.994 15.751 219 HB3 ASP 30 1HB ASP 30 12.700 -8.061 14.473 220 H SER 31 H SER 31 17.067 -8.233 13.451 221 HA SER 31 HA SER 31 16.105 -10.686 12.155 222 HB2 SER 31 2HB SER 31 18.436 -10.395 10.952 223 HB3 SER 31 1HB SER 31 17.034 -9.460 10.430 224 HG SER 31 HG SER 31 18.942 -8.533 12.311 225 H TYR 32 H TYR 32 18.161 -12.232 11.821 226 HA TYR 32 HA TYR 32 20.084 -12.404 13.855 227 HB2 TYR 32 2HB TYR 32 18.143 -12.806 15.314 228 HB3 TYR 32 1HB TYR 32 17.656 -14.156 14.294 229 HD1 TYR 32 1HD TYR 32 20.495 -12.963 16.394 230 HD2 TYR 32 2HD TYR 32 18.408 -16.305 14.785 231 HE1 TYR 32 1HE TYR 32 21.886 -14.476 17.745 232 HE2 TYR 32 2HE TYR 32 19.793 -17.826 16.131 233 HH TYR 32 HH TYR 32 21.134 -17.693 18.264 Start of MODEL 6 1 H1 SER 1 1HT SER 1 -17.720 0.188 1.750 2 H2 SER 1 2HT SER 1 -18.698 -0.438 3.014 3 H3 SER 1 3HT SER 1 -19.238 0.906 2.093 4 HA SER 1 HA SER 1 -18.692 -1.744 0.949 5 HB2 SER 1 2HB SER 1 -21.077 -0.621 2.356 6 HB3 SER 1 1HB SER 1 -21.353 -1.644 0.946 7 HG SER 1 HG SER 1 -19.846 -3.149 2.074 8 H VAL 2 H VAL 2 -17.714 0.383 -0.329 9 HA VAL 2 HA VAL 2 -19.478 0.608 -2.629 10 HB VAL 2 HB VAL 2 -18.292 3.109 -1.429 11 HG11 VAL 2 1HG1 VAL 2 -20.502 2.947 -3.444 12 HG12 VAL 2 2HG1 VAL 2 -18.812 2.864 -3.942 13 HG13 VAL 2 3HG1 VAL 2 -19.413 4.289 -3.090 14 HG21 VAL 2 3HG2 VAL 2 -21.139 2.124 -1.263 15 HG22 VAL 2 1HG2 VAL 2 -20.561 3.701 -0.729 16 HG23 VAL 2 2HG2 VAL 2 -20.000 2.237 0.078 17 H GLN 3 H GLN 3 -17.973 -0.605 -3.770 18 HA GLN 3 HA GLN 3 -15.210 0.227 -3.892 19 HB2 GLN 3 2HB GLN 3 -15.709 -2.142 -3.982 20 HB3 GLN 3 1HB GLN 3 -16.736 -1.910 -5.389 21 HG2 GLN 3 2HG GLN 3 -14.916 -1.498 -6.793 22 HG3 GLN 3 1HG GLN 3 -13.828 -1.192 -5.440 23 HE21 GLN 3 1HE2 GLN 3 -13.727 -3.092 -7.735 24 HE22 GLN 3 2HE2 GLN 3 -13.468 -4.641 -7.018 25 H ILE 4 H ILE 4 -14.587 1.879 -5.095 26 HA ILE 4 HA ILE 4 -16.060 2.460 -7.578 27 HB ILE 4 HB ILE 4 -16.146 4.273 -5.928 28 HG12 ILE 4 2HG1 ILE 4 -15.390 6.086 -7.393 29 HG13 ILE 4 1HG1 ILE 4 -14.395 4.953 -8.303 30 HG21 ILE 4 1HG2 ILE 4 -13.701 5.465 -5.875 31 HG22 ILE 4 2HG2 ILE 4 -13.266 3.758 -5.810 32 HG23 ILE 4 3HG2 ILE 4 -14.351 4.438 -4.598 33 HD11 ILE 4 3HD1 ILE 4 -16.663 5.651 -9.269 34 HD12 ILE 4 1HD1 ILE 4 -17.350 4.560 -8.067 35 HD13 ILE 4 2HD1 ILE 4 -16.237 3.941 -9.287 36 H LEU 5 H LEU 5 -13.060 1.434 -6.308 37 HA LEU 5 HA LEU 5 -11.913 1.438 -8.979 38 HB2 LEU 5 2HB LEU 5 -10.380 2.562 -6.640 39 HB3 LEU 5 1HB LEU 5 -9.828 2.437 -8.299 40 HG LEU 5 HG LEU 5 -12.159 4.155 -7.459 41 HD11 LEU 5 1HD1 LEU 5 -10.784 5.970 -7.182 42 HD12 LEU 5 2HD1 LEU 5 -9.485 5.271 -8.149 43 HD13 LEU 5 3HD1 LEU 5 -9.778 4.685 -6.511 44 HD21 LEU 5 3HD2 LEU 5 -10.472 4.403 -9.928 45 HD22 LEU 5 1HD2 LEU 5 -12.074 5.069 -9.609 46 HD23 LEU 5 2HD2 LEU 5 -11.875 3.334 -9.870 47 H ARG 6 H ARG 6 -10.914 0.827 -5.621 48 HA ARG 6 HA ARG 6 -10.009 -0.995 -4.602 49 HB2 ARG 6 2HB ARG 6 -12.067 -2.107 -5.257 50 HB3 ARG 6 1HB ARG 6 -11.416 -2.433 -6.856 51 HG2 ARG 6 2HG ARG 6 -11.326 -4.438 -5.548 52 HG3 ARG 6 1HG ARG 6 -9.681 -3.857 -5.816 53 HD2 ARG 6 2HD ARG 6 -9.890 -4.554 -3.528 54 HD3 ARG 6 1HD ARG 6 -9.747 -2.797 -3.573 55 HE ARG 6 HE ARG 6 -12.453 -3.367 -3.579 56 HH11 ARG 6 1HH1 ARG 6 -9.730 -3.892 -1.460 57 HH12 ARG 6 2HH1 ARG 6 -10.689 -3.862 -0.017 58 HH21 ARG 6 1HH2 ARG 6 -13.715 -3.328 -1.683 59 HH22 ARG 6 2HH2 ARG 6 -12.949 -3.542 -0.143 60 H CYS 7 H CYS 7 -7.872 -1.162 -4.630 61 HA CYS 7 HA CYS 7 -6.464 -1.489 -7.158 62 HB2 CYS 7 2HB CYS 7 -5.866 -0.304 -4.592 63 HB3 CYS 7 1HB CYS 7 -4.601 -1.437 -5.054 64 HA PRO 8 HA PRO 8 -5.356 -5.733 -7.020 65 HB2 PRO 8 2HB PRO 8 -2.506 -4.935 -6.666 66 HB3 PRO 8 1HB PRO 8 -3.230 -6.026 -7.852 67 HG2 PRO 8 2HG PRO 8 -2.482 -3.564 -8.545 68 HG3 PRO 8 1HG PRO 8 -3.962 -4.290 -9.201 69 HD2 PRO 8 2HD PRO 8 -3.645 -2.191 -7.111 70 HD3 PRO 8 1HD PRO 8 -4.925 -2.397 -8.322 71 H ASP 9 H ASP 9 -3.875 -7.336 -5.747 72 HA ASP 9 HA ASP 9 -4.589 -7.130 -3.013 73 HB2 ASP 9 2HB ASP 9 -3.997 -9.206 -4.636 74 HB3 ASP 9 1HB ASP 9 -2.470 -9.056 -3.771 75 H GLY 10 H GLY 10 -3.653 -5.722 -1.678 76 HA2 GLY 10 2HA GLY 10 -1.904 -5.044 -0.272 77 HA3 GLY 10 1HA GLY 10 -0.761 -5.826 -1.354 78 H MET 11 H MET 11 -3.088 -3.794 -2.845 79 HA MET 11 HA MET 11 -1.035 -1.705 -3.154 80 HB2 MET 11 2HB MET 11 -3.106 -2.754 -5.069 81 HB3 MET 11 1HB MET 11 -2.349 -1.185 -5.303 82 HG2 MET 11 2HG MET 11 -0.791 -3.737 -5.023 83 HG3 MET 11 1HG MET 11 -1.337 -3.099 -6.572 84 HE1 MET 11 3HE MET 11 0.642 -1.930 -8.004 85 HE2 MET 11 1HE MET 11 1.116 -3.430 -7.205 86 HE3 MET 11 2HE MET 11 2.201 -2.039 -7.188 87 H GLN 12 H GLN 12 -1.495 0.207 -2.304 88 HA GLN 12 HA GLN 12 -4.325 0.938 -1.928 89 HB2 GLN 12 2HB GLN 12 -2.097 0.868 -0.005 90 HB3 GLN 12 1HB GLN 12 -3.037 2.355 0.023 91 HG2 GLN 12 2HG GLN 12 -4.472 -0.250 0.059 92 HG3 GLN 12 1HG GLN 12 -3.678 0.312 1.529 93 HE21 GLN 12 1HE2 GLN 12 -5.128 1.159 2.833 94 HE22 GLN 12 2HE2 GLN 12 -6.410 2.225 2.379 95 H MET 13 H MET 13 -4.935 2.912 -2.603 96 HA MET 13 HA MET 13 -3.125 4.432 -4.217 97 HB2 MET 13 2HB MET 13 -5.110 5.985 -4.438 98 HB3 MET 13 1HB MET 13 -5.374 4.329 -4.968 99 HG2 MET 13 2HG MET 13 -6.048 4.809 -2.165 100 HG3 MET 13 1HG MET 13 -7.011 5.736 -3.313 101 HE1 MET 13 3HE MET 13 -6.950 3.407 -5.850 102 HE2 MET 13 1HE MET 13 -8.087 4.678 -5.401 103 HE3 MET 13 2HE MET 13 -8.634 3.005 -5.515 104 H LEU 14 H LEU 14 -2.367 6.523 -3.887 105 HA LEU 14 HA LEU 14 -2.355 7.383 -1.074 106 HB2 LEU 14 2HB LEU 14 -0.402 8.263 -3.185 107 HB3 LEU 14 1HB LEU 14 -0.237 8.370 -1.443 108 HG LEU 14 HG LEU 14 -0.314 5.748 -2.925 109 HD11 LEU 14 1HD1 LEU 14 1.631 7.466 -3.400 110 HD12 LEU 14 2HD1 LEU 14 1.954 5.746 -3.176 111 HD13 LEU 14 3HD1 LEU 14 2.215 6.872 -1.845 112 HD21 LEU 14 3HD2 LEU 14 0.036 4.742 -0.937 113 HD22 LEU 14 1HD2 LEU 14 -0.717 6.204 -0.301 114 HD23 LEU 14 2HD2 LEU 14 1.039 6.058 -0.326 115 H ARG 15 H ARG 15 -1.831 9.871 -0.959 116 HA ARG 15 HA ARG 15 -4.115 11.235 -1.827 117 HB2 ARG 15 2HB ARG 15 -2.845 13.301 -1.147 118 HB3 ARG 15 1HB ARG 15 -2.957 12.052 0.086 119 HG2 ARG 15 2HG ARG 15 -0.589 11.684 -1.503 120 HG3 ARG 15 1HG ARG 15 -0.654 13.321 -0.847 121 HD2 ARG 15 2HD ARG 15 -1.397 11.882 1.320 122 HD3 ARG 15 1HD ARG 15 -0.317 10.736 0.524 123 HE ARG 15 HE ARG 15 0.427 13.123 1.895 124 HH11 ARG 15 1HH1 ARG 15 1.317 11.020 -0.744 125 HH12 ARG 15 2HH1 ARG 15 2.991 11.457 -0.693 126 HH21 ARG 15 1HH2 ARG 15 2.629 13.698 1.966 127 HH22 ARG 15 2HH2 ARG 15 3.737 12.976 0.847 128 H SER 16 H SER 16 -0.977 10.819 -3.298 129 HA SER 16 HA SER 16 -1.177 12.899 -5.209 130 HB2 SER 16 2HB SER 16 0.557 10.522 -4.803 131 HB3 SER 16 1HB SER 16 0.480 11.174 -6.440 132 HG SER 16 HG SER 16 1.125 13.182 -5.610 133 H GLY 17 H GLY 17 -2.230 9.546 -5.167 134 HA2 GLY 17 2HA GLY 17 -4.324 9.241 -6.533 135 HA3 GLY 17 1HA GLY 17 -3.402 9.945 -7.851 136 H GLN 18 H GLN 18 -0.940 8.527 -7.025 137 HA GLN 18 HA GLN 18 -1.323 6.181 -8.585 138 HB2 GLN 18 2HB GLN 18 0.842 7.711 -7.886 139 HB3 GLN 18 1HB GLN 18 1.093 6.269 -6.912 140 HG2 GLN 18 2HG GLN 18 0.385 5.800 -9.729 141 HG3 GLN 18 1HG GLN 18 1.954 6.549 -9.441 142 HE21 GLN 18 1HE2 GLN 18 1.084 3.829 -10.373 143 HE22 GLN 18 2HE2 GLN 18 1.943 2.729 -9.355 144 H CYS 19 H CYS 19 -0.502 4.005 -7.767 145 HA CYS 19 HA CYS 19 -1.582 3.507 -5.070 146 HB2 CYS 19 2HB CYS 19 -2.746 2.607 -7.315 147 HB3 CYS 19 1HB CYS 19 -1.587 1.306 -7.066 148 H VAL 20 H VAL 20 0.069 3.109 -3.751 149 HA VAL 20 HA VAL 20 2.402 1.654 -4.769 150 HB VAL 20 HB VAL 20 2.838 3.789 -3.624 151 HG11 VAL 20 1HG1 VAL 20 0.839 3.073 -1.918 152 HG12 VAL 20 2HG1 VAL 20 2.007 4.361 -1.620 153 HG13 VAL 20 3HG1 VAL 20 2.272 2.756 -0.940 154 HG21 VAL 20 3HG2 VAL 20 4.697 3.057 -2.438 155 HG22 VAL 20 1HG2 VAL 20 4.362 1.703 -3.520 156 HG23 VAL 20 2HG2 VAL 20 3.869 1.624 -1.828 157 H ALA 21 H ALA 21 3.340 -0.058 -3.492 158 HA ALA 21 HA ALA 21 1.366 -1.890 -2.527 159 HB1 ALA 21 1HB ALA 21 4.237 -2.429 -2.041 160 HB2 ALA 21 2HB ALA 21 3.720 -2.262 -3.719 161 HB3 ALA 21 3HB ALA 21 2.977 -3.481 -2.685 162 H THR 22 H THR 22 1.009 -2.625 -0.460 163 HA THR 22 HA THR 22 1.384 -0.802 1.655 164 HB THR 22 HB THR 22 -0.497 -2.276 1.725 165 HG1 THR 22 1HG THR 22 -0.310 -2.412 3.793 166 HG21 THR 22 3HG2 THR 22 0.277 -4.790 2.376 167 HG22 THR 22 1HG2 THR 22 1.471 -4.360 1.150 168 HG23 THR 22 2HG2 THR 22 -0.250 -4.279 0.773 169 H THR 23 H THR 23 3.680 -0.442 1.606 170 HA THR 23 HA THR 23 5.118 -2.400 3.240 171 HB THR 23 HB THR 23 6.617 -1.046 1.040 172 HG1 THR 23 1HG THR 23 4.882 -1.998 -0.039 173 HG21 THR 23 3HG2 THR 23 7.288 -2.911 2.974 174 HG22 THR 23 1HG2 THR 23 8.240 -2.455 1.561 175 HG23 THR 23 2HG2 THR 23 7.152 -3.841 1.482 176 H GLU 24 H GLU 24 3.916 -0.059 4.124 177 HA GLU 24 HA GLU 24 5.501 2.228 4.159 178 HB2 GLU 24 2HB GLU 24 3.157 1.305 5.468 179 HB3 GLU 24 1HB GLU 24 4.238 1.918 6.711 180 HG2 GLU 24 2HG GLU 24 2.801 3.685 5.992 181 HG3 GLU 24 1HG GLU 24 4.440 4.026 5.438 182 HA PRO 25 HA PRO 25 7.615 0.693 8.210 183 HB2 PRO 25 2HB PRO 25 7.192 -1.873 8.988 184 HB3 PRO 25 1HB PRO 25 6.167 -0.529 9.506 185 HG2 PRO 25 2HG PRO 25 5.708 -2.533 7.328 186 HG3 PRO 25 1HG PRO 25 4.568 -1.915 8.538 187 HD2 PRO 25 2HD PRO 25 4.615 -1.006 5.992 188 HD3 PRO 25 1HD PRO 25 4.181 0.032 7.366 189 HA PRO 26 HA PRO 26 10.671 -0.930 5.253 190 HB2 PRO 26 2HB PRO 26 12.391 -0.250 7.591 191 HB3 PRO 26 1HB PRO 26 12.613 0.138 5.882 192 HG2 PRO 26 2HG PRO 26 11.792 1.999 7.595 193 HG3 PRO 26 1HG PRO 26 11.118 1.912 5.956 194 HD2 PRO 26 2HD PRO 26 9.910 1.070 8.553 195 HD3 PRO 26 1HD PRO 26 9.136 1.789 7.127 196 H PHE 27 H PHE 27 12.716 -2.399 5.760 197 HA PHE 27 HA PHE 27 11.646 -4.783 6.979 198 HB2 PHE 27 2HB PHE 27 13.388 -4.306 4.896 199 HB3 PHE 27 1HB PHE 27 14.462 -4.870 6.173 200 HD1 PHE 27 2HD PHE 27 11.279 -5.750 4.457 201 HD2 PHE 27 1HD PHE 27 14.741 -7.136 6.507 202 HE1 PHE 27 2HE PHE 27 10.637 -8.073 3.961 203 HE2 PHE 27 1HE PHE 27 14.107 -9.462 6.014 204 HZ PHE 27 HZ PHE 27 12.052 -9.932 4.740 205 H ASP 28 H ASP 28 13.321 -6.131 8.305 206 HA ASP 28 HA ASP 28 13.638 -4.899 10.785 207 HB2 ASP 28 2HB ASP 28 15.222 -7.285 9.833 208 HB3 ASP 28 1HB ASP 28 14.738 -6.899 11.478 209 HA PRO 29 HA PRO 29 17.393 -2.624 10.938 210 HB2 PRO 29 2HB PRO 29 18.422 -4.610 12.911 211 HB3 PRO 29 1HB PRO 29 18.362 -2.847 13.019 212 HG2 PRO 29 2HG PRO 29 16.614 -4.345 14.353 213 HG3 PRO 29 1HG PRO 29 16.113 -2.827 13.587 214 HD2 PRO 29 2HD PRO 29 15.617 -5.638 12.729 215 HD3 PRO 29 1HD PRO 29 14.589 -4.203 12.551 216 H ASP 30 H ASP 30 18.346 -6.008 11.484 217 HA ASP 30 HA ASP 30 19.922 -5.958 9.028 218 HB2 ASP 30 2HB ASP 30 21.872 -6.969 10.278 219 HB3 ASP 30 1HB ASP 30 21.569 -5.266 10.610 220 H SER 31 H SER 31 17.482 -7.324 9.957 221 HA SER 31 HA SER 31 16.503 -9.374 9.851 222 HB2 SER 31 2HB SER 31 19.040 -10.113 8.372 223 HB3 SER 31 1HB SER 31 17.538 -11.035 8.364 224 HG SER 31 HG SER 31 17.659 -8.331 7.547 225 H TYR 32 H TYR 32 16.954 -9.323 12.241 226 HA TYR 32 HA TYR 32 18.974 -11.253 13.092 227 HB2 TYR 32 2HB TYR 32 17.643 -8.960 14.317 228 HB3 TYR 32 1HB TYR 32 17.687 -10.364 15.377 229 HD1 TYR 32 1HD TYR 32 20.269 -11.579 14.656 230 HD2 TYR 32 2HD TYR 32 19.223 -7.492 15.194 231 HE1 TYR 32 1HE TYR 32 22.601 -11.066 15.243 232 HE2 TYR 32 2HE TYR 32 21.552 -6.966 15.782 233 HH TYR 32 HH TYR 32 23.755 -9.145 16.692 Start of MODEL 7 1 H1 SER 1 1HT SER 1 -18.015 5.191 -13.321 2 H2 SER 1 2HT SER 1 -19.533 4.424 -13.552 3 H3 SER 1 3HT SER 1 -18.437 4.574 -14.864 4 HA SER 1 HA SER 1 -18.434 2.365 -14.032 5 HB2 SER 1 2HB SER 1 -16.093 4.182 -13.875 6 HB3 SER 1 1HB SER 1 -15.881 2.582 -13.167 7 HG SER 1 HG SER 1 -16.859 3.044 -15.789 8 H VAL 2 H VAL 2 -18.797 1.038 -12.366 9 HA VAL 2 HA VAL 2 -19.401 1.988 -9.802 10 HB VAL 2 HB VAL 2 -20.311 -0.112 -10.694 11 HG11 VAL 2 1HG1 VAL 2 -18.105 -0.809 -11.736 12 HG12 VAL 2 2HG1 VAL 2 -19.046 -2.080 -10.957 13 HG13 VAL 2 3HG1 VAL 2 -17.649 -1.388 -10.133 14 HG21 VAL 2 3HG2 VAL 2 -20.089 0.393 -8.206 15 HG22 VAL 2 1HG2 VAL 2 -18.749 -0.755 -8.208 16 HG23 VAL 2 2HG2 VAL 2 -20.369 -1.288 -8.660 17 H GLN 3 H GLN 3 -18.360 1.446 -7.766 18 HA GLN 3 HA GLN 3 -15.681 2.241 -7.659 19 HB2 GLN 3 2HB GLN 3 -15.762 1.601 -5.295 20 HB3 GLN 3 1HB GLN 3 -17.209 2.483 -5.766 21 HG2 GLN 3 2HG GLN 3 -17.981 -0.087 -6.190 22 HG3 GLN 3 1HG GLN 3 -16.901 -0.263 -4.808 23 HE21 GLN 3 1HE2 GLN 3 -19.998 -0.018 -5.533 24 HE22 GLN 3 2HE2 GLN 3 -20.598 0.846 -4.162 25 H ILE 4 H ILE 4 -14.164 1.090 -8.711 26 HA ILE 4 HA ILE 4 -13.886 -1.752 -7.982 27 HB ILE 4 HB ILE 4 -13.068 -0.568 -10.634 28 HG12 ILE 4 2HG1 ILE 4 -15.284 -2.500 -10.593 29 HG13 ILE 4 1HG1 ILE 4 -15.666 -0.956 -9.838 30 HG21 ILE 4 1HG2 ILE 4 -13.531 -3.442 -10.425 31 HG22 ILE 4 2HG2 ILE 4 -12.220 -2.860 -9.399 32 HG23 ILE 4 3HG2 ILE 4 -12.182 -2.558 -11.137 33 HD11 ILE 4 3HD1 ILE 4 -16.120 -0.205 -11.870 34 HD12 ILE 4 1HD1 ILE 4 -15.414 -1.634 -12.627 35 HD13 ILE 4 2HD1 ILE 4 -14.388 -0.266 -12.196 36 H LEU 5 H LEU 5 -12.699 0.265 -6.495 37 HA LEU 5 HA LEU 5 -9.985 0.661 -7.372 38 HB2 LEU 5 2HB LEU 5 -11.065 1.141 -4.607 39 HB3 LEU 5 1HB LEU 5 -9.670 1.889 -5.361 40 HG LEU 5 HG LEU 5 -11.597 2.700 -7.066 41 HD11 LEU 5 1HD1 LEU 5 -13.360 3.528 -5.233 42 HD12 LEU 5 2HD1 LEU 5 -12.931 1.966 -4.535 43 HD13 LEU 5 3HD1 LEU 5 -13.570 2.053 -6.176 44 HD21 LEU 5 3HD2 LEU 5 -10.187 4.330 -6.259 45 HD22 LEU 5 1HD2 LEU 5 -10.462 3.887 -4.574 46 HD23 LEU 5 2HD2 LEU 5 -11.702 4.765 -5.470 47 H ARG 6 H ARG 6 -11.353 -0.882 -4.477 48 HA ARG 6 HA ARG 6 -10.643 -2.618 -3.191 49 HB2 ARG 6 2HB ARG 6 -11.099 -3.895 -5.220 50 HB3 ARG 6 1HB ARG 6 -9.486 -3.543 -5.824 51 HG2 ARG 6 2HG ARG 6 -8.702 -4.703 -3.632 52 HG3 ARG 6 1HG ARG 6 -10.328 -5.392 -3.639 53 HD2 ARG 6 2HD ARG 6 -9.114 -6.982 -4.799 54 HD3 ARG 6 1HD ARG 6 -9.785 -5.999 -6.100 55 HE ARG 6 HE ARG 6 -7.181 -5.147 -5.234 56 HH11 ARG 6 1HH1 ARG 6 -8.926 -7.309 -7.346 57 HH12 ARG 6 2HH1 ARG 6 -7.616 -7.475 -8.464 58 HH21 ARG 6 1HH2 ARG 6 -5.456 -5.364 -6.705 59 HH22 ARG 6 2HH2 ARG 6 -5.645 -6.371 -8.101 60 H CYS 7 H CYS 7 -9.243 -1.504 -1.843 61 HA CYS 7 HA CYS 7 -6.412 -2.058 -2.311 62 HB2 CYS 7 2HB CYS 7 -7.648 0.621 -2.188 63 HB3 CYS 7 1HB CYS 7 -6.211 0.414 -1.191 64 HA PRO 8 HA PRO 8 -8.042 -2.961 2.019 65 HB2 PRO 8 2HB PRO 8 -6.634 -5.509 1.524 66 HB3 PRO 8 1HB PRO 8 -8.263 -5.228 2.144 67 HG2 PRO 8 2HG PRO 8 -7.857 -6.176 -0.327 68 HG3 PRO 8 1HG PRO 8 -9.184 -5.053 0.031 69 HD2 PRO 8 2HD PRO 8 -6.534 -4.511 -1.256 70 HD3 PRO 8 1HD PRO 8 -8.140 -3.878 -1.672 71 H ASP 9 H ASP 9 -6.331 -4.584 3.520 72 HA ASP 9 HA ASP 9 -4.398 -2.813 4.398 73 HB2 ASP 9 2HB ASP 9 -3.399 -4.742 5.590 74 HB3 ASP 9 1HB ASP 9 -5.150 -4.674 5.767 75 H GLY 10 H GLY 10 -2.386 -2.286 3.798 76 HA2 GLY 10 2HA GLY 10 -0.210 -3.012 2.945 77 HA3 GLY 10 1HA GLY 10 -1.078 -3.965 1.751 78 H MET 11 H MET 11 -3.025 -1.783 1.289 79 HA MET 11 HA MET 11 -1.288 0.153 -0.085 80 HB2 MET 11 2HB MET 11 -3.067 0.114 -1.934 81 HB3 MET 11 1HB MET 11 -1.940 -1.234 -1.860 82 HG2 MET 11 2HG MET 11 -4.594 -1.400 -0.497 83 HG3 MET 11 1HG MET 11 -4.454 -1.692 -2.228 84 HE1 MET 11 3HE MET 11 -4.184 -3.944 -3.139 85 HE2 MET 11 1HE MET 11 -2.959 -5.086 -2.584 86 HE3 MET 11 2HE MET 11 -2.482 -3.484 -3.149 87 H GLN 12 H GLN 12 -1.998 2.253 -0.118 88 HA GLN 12 HA GLN 12 -4.665 2.841 0.928 89 HB2 GLN 12 2HB GLN 12 -3.170 2.856 2.876 90 HB3 GLN 12 1HB GLN 12 -2.125 4.019 2.071 91 HG2 GLN 12 2HG GLN 12 -3.530 5.119 3.700 92 HG3 GLN 12 1HG GLN 12 -3.940 5.651 2.070 93 HE21 GLN 12 1HE2 GLN 12 -5.143 4.542 4.964 94 HE22 GLN 12 2HE2 GLN 12 -6.733 4.101 4.448 95 H MET 13 H MET 13 -5.358 5.034 0.553 96 HA MET 13 HA MET 13 -4.795 5.961 -2.025 97 HB2 MET 13 2HB MET 13 -6.117 7.322 0.322 98 HB3 MET 13 1HB MET 13 -6.051 8.021 -1.290 99 HG2 MET 13 2HG MET 13 -7.193 5.932 -2.114 100 HG3 MET 13 1HG MET 13 -7.454 5.513 -0.421 101 HE1 MET 13 3HE MET 13 -7.994 7.582 1.135 102 HE2 MET 13 1HE MET 13 -9.581 8.324 0.938 103 HE3 MET 13 2HE MET 13 -8.143 9.146 0.334 104 H LEU 14 H LEU 14 -4.029 8.179 -2.577 105 HA LEU 14 HA LEU 14 -1.882 9.109 -0.801 106 HB2 LEU 14 2HB LEU 14 -1.576 8.860 -3.790 107 HB3 LEU 14 1HB LEU 14 -0.343 9.322 -2.631 108 HG LEU 14 HG LEU 14 -1.617 6.589 -2.797 109 HD11 LEU 14 1HD1 LEU 14 0.166 7.637 -4.568 110 HD12 LEU 14 2HD1 LEU 14 0.002 5.922 -4.191 111 HD13 LEU 14 3HD1 LEU 14 1.235 6.888 -3.381 112 HD21 LEU 14 3HD2 LEU 14 -0.868 6.450 -0.692 113 HD22 LEU 14 1HD2 LEU 14 0.125 7.899 -0.848 114 HD23 LEU 14 2HD2 LEU 14 0.733 6.348 -1.424 115 H ARG 15 H ARG 15 -0.954 11.260 -1.797 116 HA ARG 15 HA ARG 15 -2.972 13.186 -1.649 117 HB2 ARG 15 2HB ARG 15 -0.149 13.325 -2.704 118 HB3 ARG 15 1HB ARG 15 -1.190 14.738 -2.594 119 HG2 ARG 15 2HG ARG 15 -0.982 14.885 -0.358 120 HG3 ARG 15 1HG ARG 15 -0.956 13.134 -0.136 121 HD2 ARG 15 2HD ARG 15 1.330 12.994 -0.649 122 HD3 ARG 15 1HD ARG 15 1.355 14.605 -1.366 123 HE ARG 15 HE ARG 15 0.691 15.096 1.204 124 HH11 ARG 15 1HH1 ARG 15 3.268 13.262 -0.270 125 HH12 ARG 15 2HH1 ARG 15 4.385 13.555 1.021 126 HH21 ARG 15 1HH2 ARG 15 2.158 15.483 2.904 127 HH22 ARG 15 2HH2 ARG 15 3.755 14.817 2.823 128 H SER 16 H SER 16 -1.632 11.477 -4.382 129 HA SER 16 HA SER 16 -2.640 13.193 -6.406 130 HB2 SER 16 2HB SER 16 -2.318 10.310 -7.023 131 HB3 SER 16 1HB SER 16 -1.700 11.723 -7.877 132 HG SER 16 HG SER 16 -0.567 10.250 -5.825 133 H GLY 17 H GLY 17 -3.929 10.378 -4.724 134 HA2 GLY 17 2HA GLY 17 -6.448 10.609 -4.490 135 HA3 GLY 17 1HA GLY 17 -6.441 10.686 -6.245 136 H GLN 18 H GLN 18 -4.293 8.687 -6.468 137 HA GLN 18 HA GLN 18 -5.986 6.343 -6.317 138 HB2 GLN 18 2HB GLN 18 -3.417 7.048 -7.640 139 HB3 GLN 18 1HB GLN 18 -3.700 5.350 -7.283 140 HG2 GLN 18 2HG GLN 18 -5.960 6.706 -8.550 141 HG3 GLN 18 1HG GLN 18 -4.501 6.634 -9.538 142 HE21 GLN 18 1HE2 GLN 18 -6.622 4.619 -7.548 143 HE22 GLN 18 2HE2 GLN 18 -6.448 3.188 -8.499 144 H CYS 19 H CYS 19 -5.125 4.280 -5.465 145 HA CYS 19 HA CYS 19 -3.648 4.757 -2.969 146 HB2 CYS 19 2HB CYS 19 -4.702 2.583 -2.233 147 HB3 CYS 19 1HB CYS 19 -5.823 3.917 -2.480 148 H VAL 20 H VAL 20 -1.629 4.075 -2.906 149 HA VAL 20 HA VAL 20 -0.763 2.004 -4.795 150 HB VAL 20 HB VAL 20 0.497 4.111 -4.834 151 HG11 VAL 20 1HG1 VAL 20 1.899 4.766 -2.950 152 HG12 VAL 20 2HG1 VAL 20 1.253 3.432 -1.995 153 HG13 VAL 20 3HG1 VAL 20 0.195 4.752 -2.493 154 HG21 VAL 20 3HG2 VAL 20 2.625 3.158 -4.966 155 HG22 VAL 20 1HG2 VAL 20 1.534 1.796 -5.225 156 HG23 VAL 20 2HG2 VAL 20 2.301 2.026 -3.654 157 H ALA 21 H ALA 21 0.735 0.353 -4.063 158 HA ALA 21 HA ALA 21 -0.053 -0.686 -1.463 159 HB1 ALA 21 1HB ALA 21 1.527 -2.615 -2.407 160 HB2 ALA 21 2HB ALA 21 1.123 -1.825 -3.931 161 HB3 ALA 21 3HB ALA 21 -0.160 -2.447 -2.892 162 H THR 22 H THR 22 1.069 0.178 0.183 163 HA THR 22 HA THR 22 3.665 1.191 0.089 164 HB THR 22 HB THR 22 2.759 -0.006 2.648 165 HG1 THR 22 1HG THR 22 0.814 0.717 2.383 166 HG21 THR 22 3HG2 THR 22 4.651 1.563 2.549 167 HG22 THR 22 1HG2 THR 22 3.327 2.140 3.561 168 HG23 THR 22 2HG2 THR 22 3.555 2.807 1.945 169 H THR 23 H THR 23 5.120 -0.176 -0.895 170 HA THR 23 HA THR 23 5.550 -2.817 0.295 171 HB THR 23 HB THR 23 5.373 -2.835 -2.105 172 HG1 THR 23 1HG THR 23 6.910 -4.258 -1.400 173 HG21 THR 23 3HG2 THR 23 7.082 -0.472 -1.955 174 HG22 THR 23 1HG2 THR 23 5.910 -0.958 -3.180 175 HG23 THR 23 2HG2 THR 23 7.539 -1.633 -3.202 176 H GLU 24 H GLU 24 6.303 -0.394 1.702 177 HA GLU 24 HA GLU 24 9.081 0.087 1.484 178 HB2 GLU 24 2HB GLU 24 6.997 1.229 2.869 179 HB3 GLU 24 1HB GLU 24 7.933 0.479 4.154 180 HG2 GLU 24 2HG GLU 24 9.605 1.914 2.270 181 HG3 GLU 24 1HG GLU 24 8.385 2.946 3.013 182 HA PRO 25 HA PRO 25 10.730 -3.486 3.508 183 HB2 PRO 25 2HB PRO 25 13.124 -2.517 4.312 184 HB3 PRO 25 1HB PRO 25 12.759 -2.865 2.618 185 HG2 PRO 25 2HG PRO 25 12.722 -0.242 4.064 186 HG3 PRO 25 1HG PRO 25 13.369 -0.624 2.457 187 HD2 PRO 25 2HD PRO 25 10.954 0.549 2.820 188 HD3 PRO 25 1HD PRO 25 11.294 -0.543 1.463 189 HA PRO 26 HA PRO 26 9.509 -2.365 7.742 190 HB2 PRO 26 2HB PRO 26 8.804 -4.850 8.515 191 HB3 PRO 26 1HB PRO 26 7.758 -3.850 7.501 192 HG2 PRO 26 2HG PRO 26 9.602 -6.071 6.710 193 HG3 PRO 26 1HG PRO 26 7.951 -5.739 6.155 194 HD2 PRO 26 2HD PRO 26 10.169 -5.061 4.726 195 HD3 PRO 26 1HD PRO 26 8.645 -4.154 4.644 196 H PHE 27 H PHE 27 9.962 -3.914 9.865 197 HA PHE 27 HA PHE 27 12.746 -3.712 10.281 198 HB2 PHE 27 2HB PHE 27 10.423 -4.718 11.842 199 HB3 PHE 27 1HB PHE 27 12.022 -5.254 12.346 200 HD1 PHE 27 2HD PHE 27 10.103 -2.172 11.537 201 HD2 PHE 27 1HD PHE 27 13.291 -3.921 13.746 202 HE1 PHE 27 2HE PHE 27 10.424 -0.051 12.742 203 HE2 PHE 27 1HE PHE 27 13.619 -1.804 14.956 204 HZ PHE 27 HZ PHE 27 12.185 0.135 14.454 205 H ASP 28 H ASP 28 13.718 -4.952 8.629 206 HA ASP 28 HA ASP 28 13.219 -7.639 8.083 207 HB2 ASP 28 2HB ASP 28 15.491 -5.778 7.627 208 HB3 ASP 28 1HB ASP 28 15.824 -7.499 7.471 209 HA PRO 29 HA PRO 29 14.873 -10.228 11.221 210 HB2 PRO 29 2HB PRO 29 16.934 -11.203 9.303 211 HB3 PRO 29 1HB PRO 29 15.785 -12.121 10.284 212 HG2 PRO 29 2HG PRO 29 15.388 -11.800 7.671 213 HG3 PRO 29 1HG PRO 29 14.031 -11.755 8.812 214 HD2 PRO 29 2HD PRO 29 15.389 -9.512 7.389 215 HD3 PRO 29 1HD PRO 29 13.681 -9.702 7.827 216 H ASP 30 H ASP 30 17.697 -9.364 9.238 217 HA ASP 30 HA ASP 30 19.740 -8.517 9.769 218 HB2 ASP 30 2HB ASP 30 18.431 -6.530 10.335 219 HB3 ASP 30 1HB ASP 30 18.148 -7.160 11.955 220 H SER 31 H SER 31 20.372 -10.712 10.345 221 HA SER 31 HA SER 31 20.263 -11.748 12.944 222 HB2 SER 31 2HB SER 31 22.646 -12.432 11.319 223 HB3 SER 31 1HB SER 31 21.479 -13.490 12.113 224 HG SER 31 HG SER 31 21.590 -12.807 9.556 225 H TYR 32 H TYR 32 21.233 -11.143 14.751 226 HA TYR 32 HA TYR 32 22.531 -9.924 16.185 227 HB2 TYR 32 2HB TYR 32 24.897 -10.444 16.059 228 HB3 TYR 32 1HB TYR 32 23.959 -11.878 15.653 229 HD1 TYR 32 2HD TYR 32 26.145 -9.238 14.320 230 HD2 TYR 32 1HD TYR 32 24.053 -12.838 13.449 231 HE1 TYR 32 2HE TYR 32 27.402 -9.453 12.218 232 HE2 TYR 32 1HE TYR 32 25.303 -13.064 11.345 233 HH TYR 32 HH TYR 32 27.368 -12.317 10.340 Start of MODEL 8 1 H1 SER 1 1HT SER 1 -20.605 -2.514 -8.457 2 H2 SER 1 2HT SER 1 -20.151 -4.117 -8.039 3 H3 SER 1 3HT SER 1 -20.788 -3.780 -9.597 4 HA SER 1 HA SER 1 -18.378 -4.109 -9.525 5 HB2 SER 1 2HB SER 1 -17.977 -2.306 -11.074 6 HB3 SER 1 1HB SER 1 -19.655 -2.814 -11.267 7 HG SER 1 HG SER 1 -18.709 -0.565 -9.817 8 H VAL 2 H VAL 2 -16.325 -3.138 -9.069 9 HA VAL 2 HA VAL 2 -16.281 -1.827 -6.482 10 HB VAL 2 HB VAL 2 -13.907 -2.647 -8.153 11 HG11 VAL 2 1HG1 VAL 2 -14.296 -1.963 -5.253 12 HG12 VAL 2 2HG1 VAL 2 -13.217 -1.203 -6.422 13 HG13 VAL 2 3HG1 VAL 2 -12.879 -2.834 -5.841 14 HG21 VAL 2 3HG2 VAL 2 -13.935 -4.673 -6.584 15 HG22 VAL 2 1HG2 VAL 2 -15.087 -4.654 -7.920 16 HG23 VAL 2 2HG2 VAL 2 -15.622 -4.256 -6.288 17 H GLN 3 H GLN 3 -14.889 0.035 -6.075 18 HA GLN 3 HA GLN 3 -14.974 1.919 -8.324 19 HB2 GLN 3 2HB GLN 3 -14.693 2.626 -5.407 20 HB3 GLN 3 1HB GLN 3 -15.133 3.689 -6.735 21 HG2 GLN 3 2HG GLN 3 -17.076 1.751 -6.833 22 HG3 GLN 3 1HG GLN 3 -16.792 1.947 -5.104 23 HE21 GLN 3 1HE2 GLN 3 -17.039 4.027 -7.974 24 HE22 GLN 3 2HE2 GLN 3 -18.088 5.193 -7.249 25 H ILE 4 H ILE 4 -13.268 3.861 -7.425 26 HA ILE 4 HA ILE 4 -10.751 2.855 -8.204 27 HB ILE 4 HB ILE 4 -9.921 5.125 -7.475 28 HG12 ILE 4 2HG1 ILE 4 -12.714 6.078 -7.281 29 HG13 ILE 4 1HG1 ILE 4 -12.110 5.188 -5.889 30 HG21 ILE 4 1HG2 ILE 4 -11.932 4.526 -9.537 31 HG22 ILE 4 2HG2 ILE 4 -10.315 5.213 -9.691 32 HG23 ILE 4 3HG2 ILE 4 -11.666 6.236 -9.200 33 HD11 ILE 4 3HD1 ILE 4 -11.768 7.877 -6.413 34 HD12 ILE 4 1HD1 ILE 4 -10.205 7.157 -6.798 35 HD13 ILE 4 2HD1 ILE 4 -10.915 6.922 -5.200 36 H LEU 5 H LEU 5 -12.317 2.861 -5.186 37 HA LEU 5 HA LEU 5 -9.917 2.963 -3.585 38 HB2 LEU 5 2HB LEU 5 -12.258 3.747 -2.895 39 HB3 LEU 5 1HB LEU 5 -12.631 2.050 -2.665 40 HG LEU 5 HG LEU 5 -10.494 2.094 -1.138 41 HD11 LEU 5 1HD1 LEU 5 -9.832 4.098 -0.260 42 HD12 LEU 5 2HD1 LEU 5 -11.374 4.884 -0.602 43 HD13 LEU 5 3HD1 LEU 5 -10.224 4.593 -1.907 44 HD21 LEU 5 3HD2 LEU 5 -13.305 2.858 -0.607 45 HD22 LEU 5 1HD2 LEU 5 -12.139 3.111 0.693 46 HD23 LEU 5 2HD2 LEU 5 -12.362 1.500 0.008 47 H ARG 6 H ARG 6 -9.264 1.096 -5.235 48 HA ARG 6 HA ARG 6 -10.054 -1.510 -4.174 49 HB2 ARG 6 2HB ARG 6 -8.976 -0.524 -6.728 50 HB3 ARG 6 1HB ARG 6 -8.291 -2.052 -6.191 51 HG2 ARG 6 2HG ARG 6 -11.248 -1.556 -6.372 52 HG3 ARG 6 1HG ARG 6 -10.292 -2.212 -7.702 53 HD2 ARG 6 2HD ARG 6 -9.491 -3.896 -5.837 54 HD3 ARG 6 1HD ARG 6 -11.025 -3.443 -5.092 55 HE ARG 6 HE ARG 6 -11.704 -4.052 -7.649 56 HH11 ARG 6 1HH1 ARG 6 -9.969 -5.748 -5.139 57 HH12 ARG 6 2HH1 ARG 6 -10.462 -7.316 -5.685 58 HH21 ARG 6 1HH2 ARG 6 -12.355 -6.113 -8.367 59 HH22 ARG 6 2HH2 ARG 6 -11.815 -7.523 -7.518 60 H CYS 7 H CYS 7 -8.393 0.281 -2.606 61 HA CYS 7 HA CYS 7 -5.903 -1.291 -2.514 62 HB2 CYS 7 2HB CYS 7 -6.402 1.584 -1.728 63 HB3 CYS 7 1HB CYS 7 -4.918 0.714 -1.357 64 HA PRO 8 HA PRO 8 -8.344 -2.351 1.289 65 HB2 PRO 8 2HB PRO 8 -7.151 -4.841 1.468 66 HB3 PRO 8 1HB PRO 8 -8.687 -4.505 0.670 67 HG2 PRO 8 2HG PRO 8 -5.972 -4.860 -0.505 68 HG3 PRO 8 1HG PRO 8 -7.548 -5.363 -1.143 69 HD2 PRO 8 2HD PRO 8 -6.219 -3.204 -2.083 70 HD3 PRO 8 1HD PRO 8 -7.990 -3.280 -2.028 71 H ASP 9 H ASP 9 -7.181 -3.874 3.162 72 HA ASP 9 HA ASP 9 -5.393 -2.132 4.435 73 HB2 ASP 9 2HB ASP 9 -6.905 -4.171 5.296 74 HB3 ASP 9 1HB ASP 9 -5.354 -5.001 5.213 75 H GLY 10 H GLY 10 -3.447 -1.662 3.616 76 HA2 GLY 10 2HA GLY 10 -1.162 -2.878 3.803 77 HA3 GLY 10 1HA GLY 10 -1.823 -3.835 2.487 78 H MET 11 H MET 11 -3.224 -1.391 1.435 79 HA MET 11 HA MET 11 -0.899 0.107 0.444 80 HB2 MET 11 2HB MET 11 -2.053 0.092 -1.834 81 HB3 MET 11 1HB MET 11 -1.259 -1.394 -1.332 82 HG2 MET 11 2HG MET 11 -3.920 -1.531 -0.412 83 HG3 MET 11 1HG MET 11 -3.975 -0.965 -2.080 84 HE1 MET 11 3HE MET 11 -3.382 -2.467 -4.182 85 HE2 MET 11 1HE MET 11 -2.237 -3.802 -4.051 86 HE3 MET 11 2HE MET 11 -1.745 -2.171 -3.596 87 H GLN 12 H GLN 12 -1.210 2.257 0.183 88 HA GLN 12 HA GLN 12 -3.941 3.284 0.602 89 HB2 GLN 12 2HB GLN 12 -1.390 4.582 1.574 90 HB3 GLN 12 1HB GLN 12 -3.032 5.125 1.885 91 HG2 GLN 12 2HG GLN 12 -2.033 2.444 2.788 92 HG3 GLN 12 1HG GLN 12 -1.843 3.904 3.757 93 HE21 GLN 12 1HE2 GLN 12 -3.677 1.264 3.415 94 HE22 GLN 12 2HE2 GLN 12 -5.186 1.847 4.020 95 H MET 13 H MET 13 -4.647 4.832 -0.764 96 HA MET 13 HA MET 13 -3.032 5.407 -3.087 97 HB2 MET 13 2HB MET 13 -5.046 6.504 -3.952 98 HB3 MET 13 1HB MET 13 -5.406 4.891 -3.353 99 HG2 MET 13 2HG MET 13 -5.904 6.350 -1.143 100 HG3 MET 13 1HG MET 13 -6.316 7.518 -2.398 101 HE1 MET 13 3HE MET 13 -9.269 6.933 -3.771 102 HE2 MET 13 1HE MET 13 -8.251 7.963 -2.764 103 HE3 MET 13 2HE MET 13 -9.633 7.126 -2.056 104 H LEU 14 H LEU 14 -2.394 7.452 -3.802 105 HA LEU 14 HA LEU 14 -2.175 9.453 -1.659 106 HB2 LEU 14 2HB LEU 14 -0.562 9.415 -4.195 107 HB3 LEU 14 1HB LEU 14 -0.206 10.248 -2.695 108 HG LEU 14 HG LEU 14 -0.131 7.257 -3.095 109 HD11 LEU 14 1HD1 LEU 14 1.967 9.387 -3.101 110 HD12 LEU 14 2HD1 LEU 14 1.748 8.029 -4.203 111 HD13 LEU 14 3HD1 LEU 14 2.355 7.751 -2.572 112 HD21 LEU 14 3HD2 LEU 14 -0.718 7.648 -0.843 113 HD22 LEU 14 1HD2 LEU 14 0.396 9.008 -0.709 114 HD23 LEU 14 2HD2 LEU 14 1.023 7.365 -0.843 115 H ARG 15 H ARG 15 -1.946 11.769 -2.592 116 HA ARG 15 HA ARG 15 -4.410 12.504 -3.702 117 HB2 ARG 15 2HB ARG 15 -1.853 14.116 -3.677 118 HB3 ARG 15 1HB ARG 15 -3.480 14.753 -3.869 119 HG2 ARG 15 2HG ARG 15 -2.834 13.170 -1.432 120 HG3 ARG 15 1HG ARG 15 -2.262 14.834 -1.555 121 HD2 ARG 15 2HD ARG 15 -4.409 14.752 -0.420 122 HD3 ARG 15 1HD ARG 15 -4.558 15.586 -1.965 123 HE ARG 15 HE ARG 15 -6.026 13.975 -2.627 124 HH11 ARG 15 1HH1 ARG 15 -4.135 12.710 0.018 125 HH12 ARG 15 2HH1 ARG 15 -5.039 11.236 0.124 126 HH21 ARG 15 1HH2 ARG 15 -7.216 12.038 -2.491 127 HH22 ARG 15 2HH2 ARG 15 -6.788 10.855 -1.301 128 H SER 16 H SER 16 -1.314 11.809 -5.180 129 HA SER 16 HA SER 16 -1.782 12.923 -7.715 130 HB2 SER 16 2HB SER 16 -0.208 10.408 -7.567 131 HB3 SER 16 1HB SER 16 0.195 11.948 -8.324 132 HG SER 16 HG SER 16 1.224 12.479 -6.581 133 H GLY 17 H GLY 17 -2.668 9.820 -6.313 134 HA2 GLY 17 2HA GLY 17 -4.855 9.001 -7.268 135 HA3 GLY 17 1HA GLY 17 -4.065 9.153 -8.830 136 H GLN 18 H GLN 18 -1.494 8.180 -7.806 137 HA GLN 18 HA GLN 18 -1.898 5.412 -8.283 138 HB2 GLN 18 2HB GLN 18 0.495 7.012 -7.388 139 HB3 GLN 18 1HB GLN 18 0.561 5.268 -7.609 140 HG2 GLN 18 2HG GLN 18 1.368 6.130 -9.609 141 HG3 GLN 18 1HG GLN 18 -0.307 5.716 -9.968 142 HE21 GLN 18 1HE2 GLN 18 0.505 7.308 -11.737 143 HE22 GLN 18 2HE2 GLN 18 0.082 8.962 -11.472 144 H CYS 19 H CYS 19 -0.949 3.717 -6.785 145 HA CYS 19 HA CYS 19 -1.612 4.322 -3.980 146 HB2 CYS 19 2HB CYS 19 -3.208 2.801 -5.549 147 HB3 CYS 19 1HB CYS 19 -2.121 1.565 -4.924 148 H VAL 20 H VAL 20 0.021 3.934 -2.647 149 HA VAL 20 HA VAL 20 2.214 2.215 -3.559 150 HB VAL 20 HB VAL 20 2.821 4.493 -2.875 151 HG11 VAL 20 1HG1 VAL 20 1.775 3.679 -0.166 152 HG12 VAL 20 2HG1 VAL 20 1.075 4.893 -1.236 153 HG13 VAL 20 3HG1 VAL 20 2.664 5.161 -0.519 154 HG21 VAL 20 3HG2 VAL 20 4.266 2.387 -2.460 155 HG22 VAL 20 1HG2 VAL 20 3.907 2.677 -0.757 156 HG23 VAL 20 2HG2 VAL 20 4.738 3.910 -1.706 157 H ALA 21 H ALA 21 2.695 0.333 -2.596 158 HA ALA 21 HA ALA 21 0.907 -0.661 -0.546 159 HB1 ALA 21 1HB ALA 21 2.892 -1.845 -2.400 160 HB2 ALA 21 2HB ALA 21 1.256 -2.370 -2.000 161 HB3 ALA 21 3HB ALA 21 2.584 -2.703 -0.890 162 H THR 22 H THR 22 1.301 -0.540 1.557 163 HA THR 22 HA THR 22 3.951 0.217 2.487 164 HB THR 22 HB THR 22 1.709 -0.235 4.388 165 HG1 THR 22 1HG THR 22 1.758 1.793 2.422 166 HG21 THR 22 3HG2 THR 22 3.797 1.900 4.070 167 HG22 THR 22 1HG2 THR 22 3.696 0.664 5.324 168 HG23 THR 22 2HG2 THR 22 2.498 1.957 5.262 169 H THR 23 H THR 23 3.818 -2.401 1.462 170 HA THR 23 HA THR 23 4.817 -3.859 3.725 171 HB THR 23 HB THR 23 2.453 -4.335 4.003 172 HG1 THR 23 1HG THR 23 3.793 -6.540 2.830 173 HG21 THR 23 3HG2 THR 23 1.005 -5.091 2.411 174 HG22 THR 23 1HG2 THR 23 2.291 -5.738 1.390 175 HG23 THR 23 2HG2 THR 23 2.004 -3.999 1.452 176 H GLU 24 H GLU 24 5.772 -2.898 1.152 177 HA GLU 24 HA GLU 24 6.020 -5.132 -0.616 178 HB2 GLU 24 2HB GLU 24 6.837 -2.334 -0.573 179 HB3 GLU 24 1HB GLU 24 8.073 -3.381 -1.258 180 HG2 GLU 24 2HG GLU 24 5.372 -3.916 -2.241 181 HG3 GLU 24 1HG GLU 24 5.980 -2.307 -2.624 182 HA PRO 25 HA PRO 25 10.501 -5.447 1.070 183 HB2 PRO 25 2HB PRO 25 11.268 -3.857 3.114 184 HB3 PRO 25 1HB PRO 25 11.364 -3.340 1.427 185 HG2 PRO 25 2HG PRO 25 9.287 -2.706 3.486 186 HG3 PRO 25 1HG PRO 25 10.053 -1.631 2.302 187 HD2 PRO 25 2HD PRO 25 7.581 -2.709 1.948 188 HD3 PRO 25 1HD PRO 25 8.668 -2.315 0.600 189 HA PRO 26 HA PRO 26 9.396 -8.124 4.420 190 HB2 PRO 26 2HB PRO 26 11.834 -9.057 5.137 191 HB3 PRO 26 1HB PRO 26 11.034 -9.541 3.637 192 HG2 PRO 26 2HG PRO 26 13.178 -7.497 4.065 193 HG3 PRO 26 1HG PRO 26 13.033 -8.714 2.783 194 HD2 PRO 26 2HD PRO 26 12.356 -6.112 2.422 195 HD3 PRO 26 1HD PRO 26 11.545 -7.443 1.572 196 H PHE 27 H PHE 27 10.211 -8.662 6.745 197 HA PHE 27 HA PHE 27 11.513 -6.553 8.177 198 HB2 PHE 27 2HB PHE 27 8.883 -6.032 7.689 199 HB3 PHE 27 1HB PHE 27 8.776 -6.882 9.227 200 HD1 PHE 27 2HD PHE 27 10.922 -6.050 10.818 201 HD2 PHE 27 1HD PHE 27 8.764 -3.765 7.948 202 HE1 PHE 27 2HE PHE 27 11.539 -3.984 12.003 203 HE2 PHE 27 1HE PHE 27 9.378 -1.696 9.127 204 HZ PHE 27 HZ PHE 27 10.768 -1.804 11.158 205 H ASP 28 H ASP 28 11.802 -9.390 7.859 206 HA ASP 28 HA ASP 28 10.883 -10.607 10.315 207 HB2 ASP 28 2HB ASP 28 11.587 -11.585 7.817 208 HB3 ASP 28 1HB ASP 28 12.923 -12.089 8.848 209 HA PRO 29 HA PRO 29 15.773 -10.584 11.006 210 HB2 PRO 29 2HB PRO 29 16.317 -8.086 9.481 211 HB3 PRO 29 1HB PRO 29 17.310 -9.537 9.656 212 HG2 PRO 29 2HG PRO 29 15.996 -9.057 7.391 213 HG3 PRO 29 1HG PRO 29 16.129 -10.703 8.036 214 HD2 PRO 29 2HD PRO 29 13.805 -8.827 8.087 215 HD3 PRO 29 1HD PRO 29 13.830 -10.590 7.882 216 H ASP 30 H ASP 30 17.206 -8.553 11.921 217 HA ASP 30 HA ASP 30 15.602 -6.446 13.036 218 HB2 ASP 30 2HB ASP 30 15.943 -7.067 15.391 219 HB3 ASP 30 1HB ASP 30 14.985 -8.276 14.540 220 H SER 31 H SER 31 18.624 -8.272 13.278 221 HA SER 31 HA SER 31 20.183 -5.911 12.839 222 HB2 SER 31 2HB SER 31 19.836 -6.983 15.586 223 HB3 SER 31 1HB SER 31 21.475 -6.540 15.112 224 HG SER 31 HG SER 31 19.263 -4.811 14.752 225 H TYR 32 H TYR 32 21.655 -6.634 11.464 226 HA TYR 32 HA TYR 32 22.336 -9.325 11.097 227 HB2 TYR 32 2HB TYR 32 24.106 -8.505 9.626 228 HB3 TYR 32 1HB TYR 32 22.620 -7.601 9.359 229 HD1 TYR 32 1HD TYR 32 22.451 -5.260 10.008 230 HD2 TYR 32 2HD TYR 32 26.050 -7.444 10.616 231 HE1 TYR 32 1HE TYR 32 23.660 -3.152 10.374 232 HE2 TYR 32 2HE TYR 32 27.271 -5.341 10.985 233 HH TYR 32 HH TYR 32 26.138 -2.679 11.827 Start of MODEL 9 1 H1 SER 1 1HT SER 1 -23.200 -4.651 -5.048 2 H2 SER 1 2HT SER 1 -22.538 -4.775 -6.627 3 H3 SER 1 3HT SER 1 -23.055 -3.252 -6.029 4 HA SER 1 HA SER 1 -21.338 -3.115 -4.528 5 HB2 SER 1 2HB SER 1 -19.735 -5.188 -4.445 6 HB3 SER 1 1HB SER 1 -21.236 -5.214 -3.519 7 HG SER 1 HG SER 1 -21.023 -6.259 -6.142 8 H VAL 2 H VAL 2 -20.871 -1.647 -6.254 9 HA VAL 2 HA VAL 2 -19.261 -2.587 -8.476 10 HB VAL 2 HB VAL 2 -19.968 0.261 -7.758 11 HG11 VAL 2 1HG1 VAL 2 -18.712 -1.056 -10.126 12 HG12 VAL 2 2HG1 VAL 2 -18.256 0.432 -9.293 13 HG13 VAL 2 3HG1 VAL 2 -19.672 0.408 -10.345 14 HG21 VAL 2 3HG2 VAL 2 -21.398 -1.059 -9.960 15 HG22 VAL 2 1HG2 VAL 2 -21.988 0.058 -8.730 16 HG23 VAL 2 2HG2 VAL 2 -21.795 -1.652 -8.348 17 H GLN 3 H GLN 3 -17.114 -2.060 -8.853 18 HA GLN 3 HA GLN 3 -15.563 -1.499 -6.459 19 HB2 GLN 3 2HB GLN 3 -13.620 -2.123 -7.858 20 HB3 GLN 3 1HB GLN 3 -14.854 -3.373 -7.818 21 HG2 GLN 3 2HG GLN 3 -15.518 -1.813 -10.015 22 HG3 GLN 3 1HG GLN 3 -13.760 -1.924 -10.061 23 HE21 GLN 3 1HE2 GLN 3 -16.651 -3.925 -9.641 24 HE22 GLN 3 2HE2 GLN 3 -16.030 -5.307 -10.471 25 H ILE 4 H ILE 4 -15.534 0.636 -6.015 26 HA ILE 4 HA ILE 4 -14.778 2.481 -8.181 27 HB ILE 4 HB ILE 4 -16.936 2.999 -7.128 28 HG12 ILE 4 2HG1 ILE 4 -16.473 5.363 -6.598 29 HG13 ILE 4 1HG1 ILE 4 -14.757 4.992 -6.463 30 HG21 ILE 4 1HG2 ILE 4 -17.299 3.030 -4.924 31 HG22 ILE 4 2HG2 ILE 4 -15.827 3.946 -4.601 32 HG23 ILE 4 3HG2 ILE 4 -15.752 2.194 -4.791 33 HD11 ILE 4 3HD1 ILE 4 -16.315 4.510 -8.980 34 HD12 ILE 4 1HD1 ILE 4 -14.564 4.576 -8.766 35 HD13 ILE 4 2HD1 ILE 4 -15.526 6.048 -8.620 36 H LEU 5 H LEU 5 -13.864 1.201 -5.096 37 HA LEU 5 HA LEU 5 -11.536 2.996 -5.057 38 HB2 LEU 5 2HB LEU 5 -11.465 2.530 -2.587 39 HB3 LEU 5 1HB LEU 5 -12.815 3.507 -3.135 40 HG LEU 5 HG LEU 5 -13.440 0.652 -3.046 41 HD11 LEU 5 1HD1 LEU 5 -13.466 0.385 -0.677 42 HD12 LEU 5 2HD1 LEU 5 -12.919 2.044 -0.428 43 HD13 LEU 5 3HD1 LEU 5 -11.831 0.855 -1.146 44 HD21 LEU 5 3HD2 LEU 5 -14.824 2.998 -3.079 45 HD22 LEU 5 1HD2 LEU 5 -14.916 2.552 -1.375 46 HD23 LEU 5 2HD2 LEU 5 -15.495 1.435 -2.611 47 H ARG 6 H ARG 6 -10.660 1.333 -6.544 48 HA ARG 6 HA ARG 6 -10.146 -1.308 -5.654 49 HB2 ARG 6 2HB ARG 6 -10.073 -0.236 -8.056 50 HB3 ARG 6 1HB ARG 6 -8.385 0.049 -7.656 51 HG2 ARG 6 2HG ARG 6 -8.223 -2.413 -7.126 52 HG3 ARG 6 1HG ARG 6 -9.818 -2.583 -7.860 53 HD2 ARG 6 2HD ARG 6 -7.375 -1.450 -9.219 54 HD3 ARG 6 1HD ARG 6 -8.007 -3.080 -9.445 55 HE ARG 6 HE ARG 6 -10.124 -1.525 -10.060 56 HH11 ARG 6 1HH1 ARG 6 -6.800 -1.529 -11.125 57 HH12 ARG 6 2HH1 ARG 6 -7.172 -0.902 -12.695 58 HH21 ARG 6 1HH2 ARG 6 -10.614 -0.700 -12.127 59 HH22 ARG 6 2HH2 ARG 6 -9.337 -0.431 -13.264 60 H CYS 7 H CYS 7 -9.418 -0.517 -3.452 61 HA CYS 7 HA CYS 7 -6.546 -0.716 -3.338 62 HB2 CYS 7 2HB CYS 7 -7.720 1.852 -3.282 63 HB3 CYS 7 1HB CYS 7 -7.227 1.498 -1.630 64 HA PRO 8 HA PRO 8 -8.847 -2.956 0.004 65 HB2 PRO 8 2HB PRO 8 -6.860 -4.883 0.175 66 HB3 PRO 8 1HB PRO 8 -8.327 -5.014 -0.791 67 HG2 PRO 8 2HG PRO 8 -5.565 -4.269 -1.621 68 HG3 PRO 8 1HG PRO 8 -6.786 -5.207 -2.497 69 HD2 PRO 8 2HD PRO 8 -6.234 -2.637 -3.102 70 HD3 PRO 8 1HD PRO 8 -7.866 -3.316 -3.267 71 H ASP 9 H ASP 9 -7.439 -4.193 1.924 72 HA ASP 9 HA ASP 9 -6.498 -2.063 3.517 73 HB2 ASP 9 2HB ASP 9 -5.728 -3.941 5.056 74 HB3 ASP 9 1HB ASP 9 -7.443 -3.917 4.652 75 H GLY 10 H GLY 10 -4.557 -1.147 3.673 76 HA2 GLY 10 2HA GLY 10 -2.181 -1.233 3.856 77 HA3 GLY 10 1HA GLY 10 -2.188 -2.678 2.855 78 H MET 11 H MET 11 -4.164 -1.236 1.027 79 HA MET 11 HA MET 11 -2.111 0.229 -0.474 80 HB2 MET 11 2HB MET 11 -4.709 -0.990 -1.426 81 HB3 MET 11 1HB MET 11 -3.536 -0.168 -2.446 82 HG2 MET 11 2HG MET 11 -1.883 -1.872 -1.967 83 HG3 MET 11 1HG MET 11 -3.006 -2.677 -0.872 84 HE1 MET 11 3HE MET 11 -2.611 -2.376 -5.218 85 HE2 MET 11 1HE MET 11 -2.848 -1.002 -4.138 86 HE3 MET 11 2HE MET 11 -4.221 -1.689 -5.007 87 H GLN 12 H GLN 12 -2.198 2.360 -0.251 88 HA GLN 12 HA GLN 12 -4.826 3.638 0.090 89 HB2 GLN 12 2HB GLN 12 -2.066 4.445 0.987 90 HB3 GLN 12 1HB GLN 12 -3.399 5.593 0.939 91 HG2 GLN 12 2HG GLN 12 -4.006 3.088 2.327 92 HG3 GLN 12 1HG GLN 12 -2.734 4.055 3.075 93 HE21 GLN 12 1HE2 GLN 12 -3.453 6.565 2.786 94 HE22 GLN 12 2HE2 GLN 12 -4.992 6.887 3.504 95 H MET 13 H MET 13 -5.454 5.287 -1.238 96 HA MET 13 HA MET 13 -4.330 5.399 -3.830 97 HB2 MET 13 2HB MET 13 -5.975 7.144 -4.271 98 HB3 MET 13 1HB MET 13 -6.713 5.815 -3.387 99 HG2 MET 13 2HG MET 13 -5.650 7.985 -1.720 100 HG3 MET 13 1HG MET 13 -7.003 8.424 -2.759 101 HE1 MET 13 3HE MET 13 -6.974 8.870 -0.041 102 HE2 MET 13 1HE MET 13 -7.268 7.585 1.133 103 HE3 MET 13 2HE MET 13 -8.627 8.425 0.385 104 H LEU 14 H LEU 14 -3.344 7.173 -4.906 105 HA LEU 14 HA LEU 14 -1.719 8.828 -3.103 106 HB2 LEU 14 2HB LEU 14 -1.285 8.146 -6.012 107 HB3 LEU 14 1HB LEU 14 -0.203 9.100 -5.016 108 HG LEU 14 HG LEU 14 -0.875 6.312 -4.175 109 HD11 LEU 14 1HD1 LEU 14 -0.175 5.604 -6.201 110 HD12 LEU 14 2HD1 LEU 14 1.416 5.899 -5.501 111 HD13 LEU 14 3HD1 LEU 14 0.679 7.104 -6.554 112 HD21 LEU 14 3HD2 LEU 14 1.384 8.244 -3.785 113 HD22 LEU 14 1HD2 LEU 14 1.584 6.520 -3.469 114 HD23 LEU 14 2HD2 LEU 14 0.381 7.447 -2.572 115 H ARG 15 H ARG 15 -1.119 11.016 -4.002 116 HA ARG 15 HA ARG 15 -3.406 12.582 -4.338 117 HB2 ARG 15 2HB ARG 15 -0.489 13.021 -4.444 118 HB3 ARG 15 1HB ARG 15 -1.455 14.200 -5.322 119 HG2 ARG 15 2HG ARG 15 -0.997 14.931 -3.046 120 HG3 ARG 15 1HG ARG 15 -2.725 14.688 -3.308 121 HD2 ARG 15 2HD ARG 15 -2.476 13.632 -1.296 122 HD3 ARG 15 1HD ARG 15 -2.179 12.280 -2.389 123 HE ARG 15 HE ARG 15 0.287 13.372 -1.951 124 HH11 ARG 15 1HH1 ARG 15 -2.241 12.091 0.085 125 HH12 ARG 15 2HH1 ARG 15 -1.149 11.552 1.316 126 HH21 ARG 15 1HH2 ARG 15 1.725 12.662 -0.333 127 HH22 ARG 15 2HH2 ARG 15 1.103 11.876 1.078 128 H SER 16 H SER 16 -1.307 11.055 -6.675 129 HA SER 16 HA SER 16 -2.330 12.498 -8.933 130 HB2 SER 16 2HB SER 16 -1.087 9.869 -9.429 131 HB3 SER 16 1HB SER 16 -0.699 11.448 -10.110 132 HG SER 16 HG SER 16 0.235 10.234 -7.767 133 H GLY 17 H GLY 17 -3.103 9.515 -7.276 134 HA2 GLY 17 2HA GLY 17 -5.573 9.000 -7.574 135 HA3 GLY 17 1HA GLY 17 -5.194 8.975 -9.289 136 H GLN 18 H GLN 18 -2.540 7.710 -8.678 137 HA GLN 18 HA GLN 18 -3.282 5.038 -9.077 138 HB2 GLN 18 2HB GLN 18 -0.721 6.436 -8.431 139 HB3 GLN 18 1HB GLN 18 -0.777 4.683 -8.321 140 HG2 GLN 18 2HG GLN 18 -1.488 6.291 -10.763 141 HG3 GLN 18 1HG GLN 18 0.051 5.475 -10.490 142 HE21 GLN 18 1HE2 GLN 18 0.205 3.306 -10.801 143 HE22 GLN 18 2HE2 GLN 18 -1.076 2.332 -11.431 144 H CYS 19 H CYS 19 -2.402 3.218 -7.641 145 HA CYS 19 HA CYS 19 -3.183 3.777 -4.856 146 HB2 CYS 19 2HB CYS 19 -3.915 1.641 -6.729 147 HB3 CYS 19 1HB CYS 19 -3.418 1.051 -5.147 148 H VAL 20 H VAL 20 -1.444 3.883 -3.597 149 HA VAL 20 HA VAL 20 0.871 2.189 -4.198 150 HB VAL 20 HB VAL 20 1.306 4.592 -3.924 151 HG11 VAL 20 1HG1 VAL 20 -0.359 5.312 -2.419 152 HG12 VAL 20 2HG1 VAL 20 1.169 5.508 -1.561 153 HG13 VAL 20 3HG1 VAL 20 0.121 4.135 -1.198 154 HG21 VAL 20 3HG2 VAL 20 3.039 2.950 -3.347 155 HG22 VAL 20 1HG2 VAL 20 2.465 2.942 -1.680 156 HG23 VAL 20 2HG2 VAL 20 3.161 4.409 -2.365 157 H ALA 21 H ALA 21 1.768 0.796 -2.691 158 HA ALA 21 HA ALA 21 -0.044 -0.002 -0.533 159 HB1 ALA 21 1HB ALA 21 1.994 -1.423 -2.167 160 HB2 ALA 21 2HB ALA 21 0.358 -1.911 -1.725 161 HB3 ALA 21 3HB ALA 21 1.660 -2.014 -0.539 162 H THR 22 H THR 22 0.484 0.179 1.561 163 HA THR 22 HA THR 22 2.973 1.517 2.230 164 HB THR 22 HB THR 22 1.803 1.281 4.611 165 HG1 THR 22 1HG THR 22 0.113 -0.041 3.694 166 HG21 THR 22 3HG2 THR 22 1.129 3.429 4.434 167 HG22 THR 22 1HG2 THR 22 0.363 3.180 2.866 168 HG23 THR 22 2HG2 THR 22 2.115 3.346 2.975 169 H THR 23 H THR 23 4.357 -0.298 1.737 170 HA THR 23 HA THR 23 4.283 -2.422 3.776 171 HB THR 23 HB THR 23 5.962 -2.654 1.317 172 HG1 THR 23 1HG THR 23 4.214 -3.361 0.134 173 HG21 THR 23 3HG2 THR 23 4.239 -4.836 2.316 174 HG22 THR 23 1HG2 THR 23 5.617 -4.368 3.313 175 HG23 THR 23 2HG2 THR 23 5.870 -4.886 1.646 176 H GLU 24 H GLU 24 5.273 -0.601 5.100 177 HA GLU 24 HA GLU 24 7.816 0.414 4.657 178 HB2 GLU 24 2HB GLU 24 6.056 0.922 6.520 179 HB3 GLU 24 1HB GLU 24 6.922 -0.316 7.424 180 HG2 GLU 24 2HG GLU 24 9.023 1.018 6.963 181 HG3 GLU 24 1HG GLU 24 7.959 2.311 6.408 182 HA PRO 25 HA PRO 25 10.523 -3.117 4.692 183 HB2 PRO 25 2HB PRO 25 12.318 -1.134 6.026 184 HB3 PRO 25 1HB PRO 25 12.655 -2.225 4.677 185 HG2 PRO 25 2HG PRO 25 12.203 0.370 4.259 186 HG3 PRO 25 1HG PRO 25 11.600 -0.860 3.135 187 HD2 PRO 25 2HD PRO 25 10.119 0.771 5.127 188 HD3 PRO 25 1HD PRO 25 9.569 0.099 3.581 189 HA PRO 26 HA PRO 26 10.104 -4.585 8.868 190 HB2 PRO 26 2HB PRO 26 11.673 -6.775 8.731 191 HB3 PRO 26 1HB PRO 26 10.103 -6.690 7.926 192 HG2 PRO 26 2HG PRO 26 12.843 -6.306 6.781 193 HG3 PRO 26 1HG PRO 26 11.467 -7.203 6.112 194 HD2 PRO 26 2HD PRO 26 12.138 -4.690 5.311 195 HD3 PRO 26 1HD PRO 26 10.472 -5.302 5.287 196 H PHE 27 H PHE 27 11.885 -5.796 10.453 197 HA PHE 27 HA PHE 27 13.497 -3.704 11.406 198 HB2 PHE 27 2HB PHE 27 13.093 -6.561 12.077 199 HB3 PHE 27 1HB PHE 27 14.610 -5.847 12.612 200 HD1 PHE 27 2HD PHE 27 14.371 -3.530 13.830 201 HD2 PHE 27 1HD PHE 27 11.252 -6.400 13.442 202 HE1 PHE 27 2HE PHE 27 13.223 -2.540 15.768 203 HE2 PHE 27 1HE PHE 27 10.098 -5.415 15.379 204 HZ PHE 27 HZ PHE 27 11.084 -3.482 16.544 205 H ASP 28 H ASP 28 15.946 -4.402 11.987 206 HA ASP 28 HA ASP 28 17.223 -4.851 9.376 207 HB2 ASP 28 2HB ASP 28 17.813 -3.063 11.661 208 HB3 ASP 28 1HB ASP 28 19.210 -3.796 10.876 209 HA PRO 29 HA PRO 29 19.039 -8.582 10.886 210 HB2 PRO 29 2HB PRO 29 21.260 -8.721 9.342 211 HB3 PRO 29 1HB PRO 29 19.636 -9.004 8.703 212 HG2 PRO 29 2HG PRO 29 21.324 -6.536 8.558 213 HG3 PRO 29 1HG PRO 29 20.338 -7.293 7.293 214 HD2 PRO 29 2HD PRO 29 19.503 -5.137 8.713 215 HD3 PRO 29 1HD PRO 29 18.385 -6.365 8.087 216 H ASP 30 H ASP 30 21.464 -9.389 11.371 217 HA ASP 30 HA ASP 30 23.247 -7.474 12.477 218 HB2 ASP 30 2HB ASP 30 21.132 -7.828 14.113 219 HB3 ASP 30 1HB ASP 30 22.161 -9.145 14.670 220 H SER 31 H SER 31 22.089 -10.809 12.625 221 HA SER 31 HA SER 31 24.856 -11.736 12.887 222 HB2 SER 31 2HB SER 31 22.892 -12.525 14.420 223 HB3 SER 31 1HB SER 31 22.475 -13.554 13.051 224 HG SER 31 HG SER 31 25.076 -13.481 14.160 225 H TYR 32 H TYR 32 21.998 -11.971 10.859 226 HA TYR 32 HA TYR 32 23.467 -13.620 8.938 227 HB2 TYR 32 2HB TYR 32 21.275 -13.939 7.844 228 HB3 TYR 32 1HB TYR 32 21.253 -14.437 9.532 229 HD1 TYR 32 1HD TYR 32 20.060 -13.083 11.208 230 HD2 TYR 32 2HD TYR 32 19.945 -12.098 7.071 231 HE1 TYR 32 1HE TYR 32 18.124 -11.622 11.616 232 HE2 TYR 32 2HE TYR 32 18.010 -10.634 7.467 233 HH TYR 32 HH TYR 32 16.057 -10.736 9.727 Start of MODEL 10 1 H1 SER 1 1HT SER 1 -15.884 1.501 -15.336 2 H2 SER 1 2HT SER 1 -15.838 2.962 -16.233 3 H3 SER 1 3HT SER 1 -16.019 3.006 -14.526 4 HA SER 1 HA SER 1 -13.675 1.944 -15.953 5 HB2 SER 1 2HB SER 1 -14.111 4.419 -16.227 6 HB3 SER 1 1HB SER 1 -13.967 4.570 -14.476 7 HG SER 1 HG SER 1 -11.988 3.748 -16.327 8 H VAL 2 H VAL 2 -13.189 0.258 -14.634 9 HA VAL 2 HA VAL 2 -12.482 -0.880 -12.799 10 HB VAL 2 HB VAL 2 -11.883 1.885 -11.750 11 HG11 VAL 2 1HG1 VAL 2 -11.080 -0.850 -10.802 12 HG12 VAL 2 2HG1 VAL 2 -11.823 0.459 -9.882 13 HG13 VAL 2 3HG1 VAL 2 -10.143 0.590 -10.406 14 HG21 VAL 2 3HG2 VAL 2 -9.680 1.612 -12.619 15 HG22 VAL 2 1HG2 VAL 2 -10.814 1.268 -13.926 16 HG23 VAL 2 2HG2 VAL 2 -10.010 -0.057 -13.085 17 H GLN 3 H GLN 3 -13.004 -1.415 -10.568 18 HA GLN 3 HA GLN 3 -15.744 -0.666 -9.939 19 HB2 GLN 3 2HB GLN 3 -14.031 -2.696 -8.508 20 HB3 GLN 3 1HB GLN 3 -15.784 -2.566 -8.493 21 HG2 GLN 3 2HG GLN 3 -15.785 -4.112 -10.079 22 HG3 GLN 3 1HG GLN 3 -15.191 -2.860 -11.167 23 HE21 GLN 3 1HE2 GLN 3 -14.727 -5.755 -11.154 24 HE22 GLN 3 2HE2 GLN 3 -13.013 -5.958 -11.089 25 H ILE 4 H ILE 4 -15.898 -0.989 -7.251 26 HA ILE 4 HA ILE 4 -13.988 0.892 -6.064 27 HB ILE 4 HB ILE 4 -15.930 2.221 -6.786 28 HG12 ILE 4 2HG1 ILE 4 -16.597 2.756 -4.180 29 HG13 ILE 4 1HG1 ILE 4 -15.056 1.926 -3.994 30 HG21 ILE 4 1HG2 ILE 4 -17.488 0.162 -6.387 31 HG22 ILE 4 2HG2 ILE 4 -18.110 1.802 -6.189 32 HG23 ILE 4 3HG2 ILE 4 -17.654 0.854 -4.773 33 HD11 ILE 4 3HD1 ILE 4 -15.649 4.482 -5.429 34 HD12 ILE 4 1HD1 ILE 4 -14.184 3.558 -5.759 35 HD13 ILE 4 2HD1 ILE 4 -14.492 4.175 -4.136 36 H LEU 5 H LEU 5 -13.666 -1.643 -5.516 37 HA LEU 5 HA LEU 5 -15.195 -2.313 -3.117 38 HB2 LEU 5 2HB LEU 5 -13.525 -3.847 -5.042 39 HB3 LEU 5 1HB LEU 5 -13.623 -4.439 -3.395 40 HG LEU 5 HG LEU 5 -15.252 -5.509 -4.921 41 HD11 LEU 5 1HD1 LEU 5 -16.777 -5.728 -3.275 42 HD12 LEU 5 2HD1 LEU 5 -16.984 -3.987 -3.085 43 HD13 LEU 5 3HD1 LEU 5 -15.598 -4.794 -2.354 44 HD21 LEU 5 3HD2 LEU 5 -17.268 -4.098 -5.520 45 HD22 LEU 5 1HD2 LEU 5 -15.798 -3.794 -6.447 46 HD23 LEU 5 2HD2 LEU 5 -16.270 -2.691 -5.155 47 H ARG 6 H ARG 6 -13.218 -0.162 -3.139 48 HA ARG 6 HA ARG 6 -11.542 0.664 -1.841 49 HB2 ARG 6 2HB ARG 6 -12.949 -0.115 -0.012 50 HB3 ARG 6 1HB ARG 6 -12.259 -1.727 -0.137 51 HG2 ARG 6 2HG ARG 6 -10.117 -0.928 0.599 52 HG3 ARG 6 1HG ARG 6 -10.690 0.741 0.575 53 HD2 ARG 6 2HD ARG 6 -12.154 -1.257 2.227 54 HD3 ARG 6 1HD ARG 6 -10.609 -0.644 2.813 55 HE ARG 6 HE ARG 6 -12.204 1.526 2.033 56 HH11 ARG 6 1HH1 ARG 6 -12.079 -0.938 4.502 57 HH12 ARG 6 2HH1 ARG 6 -12.894 0.029 5.685 58 HH21 ARG 6 1HH2 ARG 6 -13.275 2.799 3.587 59 HH22 ARG 6 2HH2 ARG 6 -13.574 2.151 5.166 60 H CYS 7 H CYS 7 -9.325 0.251 -1.024 61 HA CYS 7 HA CYS 7 -7.980 -1.626 -2.786 62 HB2 CYS 7 2HB CYS 7 -7.082 0.666 -1.070 63 HB3 CYS 7 1HB CYS 7 -5.912 -0.487 -1.697 64 HA PRO 8 HA PRO 8 -8.093 -4.542 0.718 65 HB2 PRO 8 2HB PRO 8 -6.764 -6.503 -0.742 66 HB3 PRO 8 1HB PRO 8 -8.513 -6.320 -0.621 67 HG2 PRO 8 2HG PRO 8 -6.654 -5.442 -2.778 68 HG3 PRO 8 1HG PRO 8 -8.309 -6.067 -2.905 69 HD2 PRO 8 2HD PRO 8 -7.754 -3.453 -3.182 70 HD3 PRO 8 1HD PRO 8 -9.254 -4.015 -2.415 71 H ASP 9 H ASP 9 -6.127 -6.325 1.126 72 HA ASP 9 HA ASP 9 -4.078 -4.797 2.290 73 HB2 ASP 9 2HB ASP 9 -2.938 -7.042 2.588 74 HB3 ASP 9 1HB ASP 9 -4.568 -6.921 3.247 75 H GLY 10 H GLY 10 -2.386 -3.841 1.388 76 HA2 GLY 10 2HA GLY 10 -0.302 -4.231 0.124 77 HA3 GLY 10 1HA GLY 10 -1.295 -5.005 -1.101 78 H MET 11 H MET 11 -3.391 -2.881 -0.714 79 HA MET 11 HA MET 11 -2.007 -0.726 -2.173 80 HB2 MET 11 2HB MET 11 -4.608 -2.103 -2.676 81 HB3 MET 11 1HB MET 11 -4.469 -0.400 -3.094 82 HG2 MET 11 2HG MET 11 -2.943 -0.786 -4.756 83 HG3 MET 11 1HG MET 11 -2.367 -2.285 -4.028 84 HE1 MET 11 3HE MET 11 -3.841 -3.060 -7.632 85 HE2 MET 11 1HE MET 11 -2.607 -3.737 -6.568 86 HE3 MET 11 2HE MET 11 -2.634 -2.005 -6.895 87 H GLN 12 H GLN 12 -2.239 1.300 -1.438 88 HA GLN 12 HA GLN 12 -4.387 1.877 0.473 89 HB2 GLN 12 2HB GLN 12 -1.452 2.065 0.930 90 HB3 GLN 12 1HB GLN 12 -2.457 3.345 1.594 91 HG2 GLN 12 2HG GLN 12 -3.859 1.337 2.521 92 HG3 GLN 12 1HG GLN 12 -2.348 0.458 2.298 93 HE21 GLN 12 1HE2 GLN 12 -2.535 0.235 4.652 94 HE22 GLN 12 2HE2 GLN 12 -1.899 1.492 5.652 95 H MET 13 H MET 13 -5.175 3.956 0.420 96 HA MET 13 HA MET 13 -4.495 5.484 -1.947 97 HB2 MET 13 2HB MET 13 -6.869 4.985 -0.909 98 HB3 MET 13 1HB MET 13 -6.511 6.410 0.055 99 HG2 MET 13 2HG MET 13 -6.268 7.750 -1.926 100 HG3 MET 13 1HG MET 13 -6.455 6.330 -2.953 101 HE1 MET 13 3HE MET 13 -8.948 6.628 0.266 102 HE2 MET 13 1HE MET 13 -9.732 8.109 -0.283 103 HE3 MET 13 2HE MET 13 -7.996 8.092 0.024 104 H LEU 14 H LEU 14 -3.291 7.273 -1.996 105 HA LEU 14 HA LEU 14 -2.119 8.227 0.484 106 HB2 LEU 14 2HB LEU 14 -1.560 9.322 -2.257 107 HB3 LEU 14 1HB LEU 14 -0.522 9.337 -0.843 108 HG LEU 14 HG LEU 14 -1.254 6.887 -2.448 109 HD11 LEU 14 1HD1 LEU 14 0.442 8.808 -3.245 110 HD12 LEU 14 2HD1 LEU 14 0.675 7.096 -3.602 111 HD13 LEU 14 3HD1 LEU 14 1.531 7.840 -2.251 112 HD21 LEU 14 3HD2 LEU 14 -0.805 5.915 -0.457 113 HD22 LEU 14 1HD2 LEU 14 0.117 7.297 0.135 114 HD23 LEU 14 2HD2 LEU 14 0.862 6.153 -0.981 115 H ARG 15 H ARG 15 -1.702 10.758 0.407 116 HA ARG 15 HA ARG 15 -4.163 11.987 0.936 117 HB2 ARG 15 2HB ARG 15 -2.846 14.102 1.013 118 HB3 ARG 15 1HB ARG 15 -2.158 12.805 1.980 119 HG2 ARG 15 2HG ARG 15 -0.508 12.362 0.263 120 HG3 ARG 15 1HG ARG 15 -1.226 13.600 -0.770 121 HD2 ARG 15 2HD ARG 15 0.785 14.397 0.408 122 HD3 ARG 15 1HD ARG 15 -0.658 15.319 0.827 123 HE ARG 15 HE ARG 15 -0.347 13.261 2.697 124 HH11 ARG 15 1HH1 ARG 15 1.241 16.209 1.714 125 HH12 ARG 15 2HH1 ARG 15 1.900 16.524 3.284 126 HH21 ARG 15 1HH2 ARG 15 0.517 13.675 4.763 127 HH22 ARG 15 2HH2 ARG 15 1.489 15.086 5.015 128 H SER 16 H SER 16 -2.253 11.785 -1.977 129 HA SER 16 HA SER 16 -3.507 13.884 -3.403 130 HB2 SER 16 2HB SER 16 -2.494 11.544 -4.923 131 HB3 SER 16 1HB SER 16 -2.173 13.264 -5.151 132 HG SER 16 HG SER 16 -0.757 13.176 -3.384 133 H GLY 17 H GLY 17 -4.268 10.487 -2.945 134 HA2 GLY 17 2HA GLY 17 -6.729 10.049 -3.017 135 HA3 GLY 17 1HA GLY 17 -6.712 10.889 -4.561 136 H GLN 18 H GLN 18 -4.115 9.637 -5.287 137 HA GLN 18 HA GLN 18 -5.176 7.351 -6.608 138 HB2 GLN 18 2HB GLN 18 -2.266 8.107 -6.316 139 HB3 GLN 18 1HB GLN 18 -2.980 7.089 -7.560 140 HG2 GLN 18 2HG GLN 18 -4.159 9.753 -7.416 141 HG3 GLN 18 1HG GLN 18 -2.436 9.755 -7.795 142 HE21 GLN 18 1HE2 GLN 18 -1.771 8.248 -9.546 143 HE22 GLN 18 2HE2 GLN 18 -2.826 8.084 -10.904 144 H CYS 19 H CYS 19 -4.758 5.178 -6.292 145 HA CYS 19 HA CYS 19 -3.885 4.481 -3.584 146 HB2 CYS 19 2HB CYS 19 -6.085 3.683 -5.013 147 HB3 CYS 19 1HB CYS 19 -4.981 2.336 -5.269 148 H VAL 20 H VAL 20 -1.765 4.100 -3.473 149 HA VAL 20 HA VAL 20 -0.442 2.696 -5.680 150 HB VAL 20 HB VAL 20 0.588 4.800 -4.924 151 HG11 VAL 20 1HG1 VAL 20 1.035 5.310 -2.790 152 HG12 VAL 20 2HG1 VAL 20 1.647 3.694 -2.429 153 HG13 VAL 20 3HG1 VAL 20 -0.088 4.006 -2.404 154 HG21 VAL 20 3HG2 VAL 20 2.400 2.541 -4.131 155 HG22 VAL 20 1HG2 VAL 20 2.807 4.044 -4.959 156 HG23 VAL 20 2HG2 VAL 20 1.899 2.790 -5.803 157 H ALA 21 H ALA 21 1.084 0.982 -5.191 158 HA ALA 21 HA ALA 21 0.028 -0.803 -3.158 159 HB1 ALA 21 1HB ALA 21 1.302 -2.527 -4.229 160 HB2 ALA 21 2HB ALA 21 2.214 -1.340 -5.163 161 HB3 ALA 21 3HB ALA 21 0.496 -1.579 -5.479 162 H THR 22 H THR 22 1.267 -1.773 -1.526 163 HA THR 22 HA THR 22 3.060 -0.098 -0.180 164 HB THR 22 HB THR 22 3.141 -3.042 0.305 165 HG1 THR 22 1HG THR 22 0.880 -1.387 0.698 166 HG21 THR 22 3HG2 THR 22 2.937 -2.370 2.637 167 HG22 THR 22 1HG2 THR 22 2.825 -0.681 2.143 168 HG23 THR 22 2HG2 THR 22 4.310 -1.589 1.852 169 H THR 23 H THR 23 4.702 0.502 -1.629 170 HA THR 23 HA THR 23 6.526 -1.612 -2.517 171 HB THR 23 HB THR 23 7.590 0.594 -3.606 172 HG1 THR 23 1HG THR 23 5.905 1.876 -2.570 173 HG21 THR 23 3HG2 THR 23 6.714 -0.030 -5.610 174 HG22 THR 23 1HG2 THR 23 5.109 -0.333 -4.942 175 HG23 THR 23 2HG2 THR 23 6.410 -1.494 -4.673 176 H GLU 24 H GLU 24 6.368 -0.826 0.273 177 HA GLU 24 HA GLU 24 8.571 0.858 0.918 178 HB2 GLU 24 2HB GLU 24 6.742 -0.944 2.434 179 HB3 GLU 24 1HB GLU 24 8.248 -0.459 3.202 180 HG2 GLU 24 2HG GLU 24 7.344 1.928 2.308 181 HG3 GLU 24 1HG GLU 24 5.826 1.095 2.639 182 HA PRO 25 HA PRO 25 11.847 -2.088 0.454 183 HB2 PRO 25 2HB PRO 25 13.775 -0.870 1.881 184 HB3 PRO 25 1HB PRO 25 13.205 -0.225 0.337 185 HG2 PRO 25 2HG PRO 25 12.487 0.611 3.122 186 HG3 PRO 25 1HG PRO 25 12.850 1.620 1.709 187 HD2 PRO 25 2HD PRO 25 10.313 1.076 2.555 188 HD3 PRO 25 1HD PRO 25 10.726 1.414 0.863 189 HA PRO 26 HA PRO 26 11.148 -4.345 4.344 190 HB2 PRO 26 2HB PRO 26 11.680 -6.799 3.357 191 HB3 PRO 26 1HB PRO 26 10.135 -5.986 3.076 192 HG2 PRO 26 2HG PRO 26 12.511 -6.216 1.269 193 HG3 PRO 26 1HG PRO 26 10.790 -6.394 0.881 194 HD2 PRO 26 2HD PRO 26 12.197 -4.118 0.389 195 HD3 PRO 26 1HD PRO 26 10.459 -4.125 0.745 196 H PHE 27 H PHE 27 12.580 -4.877 5.908 197 HA PHE 27 HA PHE 27 15.077 -6.093 5.504 198 HB2 PHE 27 2HB PHE 27 15.220 -3.507 4.686 199 HB3 PHE 27 1HB PHE 27 15.659 -3.332 6.382 200 HD1 PHE 27 2HD PHE 27 17.469 -5.027 7.238 201 HD2 PHE 27 1HD PHE 27 16.867 -3.988 3.156 202 HE1 PHE 27 2HE PHE 27 19.765 -5.745 6.722 203 HE2 PHE 27 1HE PHE 27 19.160 -4.704 2.630 204 HZ PHE 27 HZ PHE 27 20.613 -5.585 4.415 205 H ASP 28 H ASP 28 12.925 -6.427 7.250 206 HA ASP 28 HA ASP 28 13.399 -5.272 9.799 207 HB2 ASP 28 2HB ASP 28 11.593 -7.265 8.649 208 HB3 ASP 28 1HB ASP 28 12.064 -7.640 10.305 209 HA PRO 29 HA PRO 29 15.410 -9.698 10.715 210 HB2 PRO 29 2HB PRO 29 16.476 -10.129 7.968 211 HB3 PRO 29 1HB PRO 29 15.870 -11.307 9.139 212 HG2 PRO 29 2HG PRO 29 14.399 -10.605 7.033 213 HG3 PRO 29 1HG PRO 29 13.651 -10.882 8.617 214 HD2 PRO 29 2HD PRO 29 14.246 -8.310 7.222 215 HD3 PRO 29 1HD PRO 29 12.870 -8.744 8.257 216 H ASP 30 H ASP 30 17.673 -10.065 11.113 217 HA ASP 30 HA ASP 30 19.755 -8.639 9.891 218 HB2 ASP 30 2HB ASP 30 18.253 -6.906 11.347 219 HB3 ASP 30 1HB ASP 30 19.421 -7.423 12.560 220 H SER 31 H SER 31 18.998 -9.209 13.315 221 HA SER 31 HA SER 31 20.387 -11.621 13.573 222 HB2 SER 31 2HB SER 31 22.298 -10.408 15.022 223 HB3 SER 31 1HB SER 31 22.501 -10.795 13.314 224 HG SER 31 HG SER 31 21.439 -8.326 14.191 225 H TYR 32 H TYR 32 19.520 -8.578 15.120 226 HA TYR 32 HA TYR 32 18.353 -10.085 17.329 227 HB2 TYR 32 2HB TYR 32 20.806 -8.925 17.667 228 HB3 TYR 32 1HB TYR 32 19.732 -7.639 18.207 229 HD1 TYR 32 2HD TYR 32 20.603 -11.205 18.752 230 HD2 TYR 32 1HD TYR 32 18.716 -7.734 20.329 231 HE1 TYR 32 2HE TYR 32 20.369 -12.328 20.928 232 HE2 TYR 32 1HE TYR 32 18.478 -8.845 22.509 233 HH TYR 32 HH TYR 32 18.367 -11.556 23.190 Start of MODEL 11 1 H1 SER 1 1HT SER 1 -18.678 0.172 -10.024 2 H2 SER 1 2HT SER 1 -18.815 -1.152 -11.107 3 H3 SER 1 3HT SER 1 -19.101 0.447 -11.661 4 HA SER 1 HA SER 1 -17.010 -0.156 -12.419 5 HB2 SER 1 2HB SER 1 -17.517 2.059 -10.961 6 HB3 SER 1 1HB SER 1 -16.192 1.381 -10.014 7 HG SER 1 HG SER 1 -14.923 1.382 -11.890 8 H VAL 2 H VAL 2 -14.896 -0.992 -12.068 9 HA VAL 2 HA VAL 2 -14.837 -3.086 -10.057 10 HB VAL 2 HB VAL 2 -12.759 -2.476 -12.160 11 HG11 VAL 2 1HG1 VAL 2 -12.533 -5.082 -11.791 12 HG12 VAL 2 2HG1 VAL 2 -13.200 -4.675 -10.211 13 HG13 VAL 2 3HG1 VAL 2 -11.698 -3.928 -10.753 14 HG21 VAL 2 3HG2 VAL 2 -13.848 -4.282 -13.469 15 HG22 VAL 2 1HG2 VAL 2 -14.857 -2.848 -13.280 16 HG23 VAL 2 2HG2 VAL 2 -15.171 -4.281 -12.301 17 H GLN 3 H GLN 3 -14.756 -0.878 -8.643 18 HA GLN 3 HA GLN 3 -12.300 0.404 -8.260 19 HB2 GLN 3 2HB GLN 3 -13.219 0.853 -5.924 20 HB3 GLN 3 1HB GLN 3 -14.185 1.418 -7.279 21 HG2 GLN 3 2HG GLN 3 -15.901 0.082 -6.772 22 HG3 GLN 3 1HG GLN 3 -14.853 -1.284 -6.393 23 HE21 GLN 3 1HE2 GLN 3 -15.249 1.973 -5.037 24 HE22 GLN 3 2HE2 GLN 3 -15.490 1.451 -3.408 25 H ILE 4 H ILE 4 -11.312 0.235 -5.859 26 HA ILE 4 HA ILE 4 -11.040 -2.362 -4.759 27 HB ILE 4 HB ILE 4 -9.769 -2.756 -6.828 28 HG12 ILE 4 2HG1 ILE 4 -7.439 -3.041 -5.401 29 HG13 ILE 4 1HG1 ILE 4 -8.643 -2.942 -4.120 30 HG21 ILE 4 1HG2 ILE 4 -7.389 -1.403 -6.512 31 HG22 ILE 4 2HG2 ILE 4 -8.607 -0.185 -6.131 32 HG23 ILE 4 3HG2 ILE 4 -8.654 -1.027 -7.681 33 HD11 ILE 4 3HD1 ILE 4 -8.181 -5.245 -4.792 34 HD12 ILE 4 1HD1 ILE 4 -8.717 -4.870 -6.429 35 HD13 ILE 4 2HD1 ILE 4 -9.860 -4.796 -5.088 36 H LEU 5 H LEU 5 -11.641 -0.348 -3.314 37 HA LEU 5 HA LEU 5 -9.665 1.420 -2.439 38 HB2 LEU 5 2HB LEU 5 -11.068 1.347 -0.241 39 HB3 LEU 5 1HB LEU 5 -11.746 2.036 -1.703 40 HG LEU 5 HG LEU 5 -13.069 0.065 -2.102 41 HD11 LEU 5 1HD1 LEU 5 -12.992 -1.658 -0.099 42 HD12 LEU 5 2HD1 LEU 5 -11.322 -1.100 -0.001 43 HD13 LEU 5 3HD1 LEU 5 -11.928 -1.813 -1.497 44 HD21 LEU 5 3HD2 LEU 5 -13.185 1.075 0.730 45 HD22 LEU 5 1HD2 LEU 5 -14.410 0.020 0.027 46 HD23 LEU 5 2HD2 LEU 5 -14.126 1.619 -0.659 47 H ARG 6 H ARG 6 -10.014 -1.948 -1.866 48 HA ARG 6 HA ARG 6 -8.606 -2.080 0.606 49 HB2 ARG 6 2HB ARG 6 -10.149 -3.850 -0.356 50 HB3 ARG 6 1HB ARG 6 -8.837 -4.280 -1.445 51 HG2 ARG 6 2HG ARG 6 -8.622 -5.802 0.287 52 HG3 ARG 6 1HG ARG 6 -7.434 -4.559 0.691 53 HD2 ARG 6 2HD ARG 6 -8.736 -3.695 2.409 54 HD3 ARG 6 1HD ARG 6 -10.222 -4.399 1.770 55 HE ARG 6 HE ARG 6 -8.726 -6.565 2.409 56 HH11 ARG 6 1HH1 ARG 6 -9.699 -3.718 4.179 57 HH12 ARG 6 2HH1 ARG 6 -9.710 -4.524 5.712 58 HH21 ARG 6 1HH2 ARG 6 -8.738 -7.624 4.423 59 HH22 ARG 6 2HH2 ARG 6 -9.163 -6.741 5.851 60 H CYS 7 H CYS 7 -6.601 -1.272 0.713 61 HA CYS 7 HA CYS 7 -4.679 -2.077 -1.371 62 HB2 CYS 7 2HB CYS 7 -5.343 0.494 -0.507 63 HB3 CYS 7 1HB CYS 7 -3.799 0.154 0.267 64 HA PRO 8 HA PRO 8 -3.456 -4.446 2.414 65 HB2 PRO 8 2HB PRO 8 -1.940 -5.815 0.249 66 HB3 PRO 8 1HB PRO 8 -2.889 -6.507 1.569 67 HG2 PRO 8 2HG PRO 8 -3.838 -6.491 -0.917 68 HG3 PRO 8 1HG PRO 8 -4.905 -6.188 0.468 69 HD2 PRO 8 2HD PRO 8 -3.760 -4.259 -1.504 70 HD3 PRO 8 1HD PRO 8 -5.355 -4.264 -0.724 71 H ASP 9 H ASP 9 -1.092 -5.241 2.919 72 HA ASP 9 HA ASP 9 0.519 -3.010 3.262 73 HB2 ASP 9 2HB ASP 9 2.355 -4.696 3.732 74 HB3 ASP 9 1HB ASP 9 0.879 -4.889 4.674 75 H GLY 10 H GLY 10 2.241 -2.127 2.188 76 HA2 GLY 10 2HA GLY 10 3.957 -2.106 0.545 77 HA3 GLY 10 1HA GLY 10 3.116 -3.391 -0.310 78 H MET 11 H MET 11 0.527 -1.907 0.014 79 HA MET 11 HA MET 11 0.997 0.345 -1.807 80 HB2 MET 11 2HB MET 11 0.183 -2.017 -2.810 81 HB3 MET 11 1HB MET 11 -1.378 -1.339 -2.370 82 HG2 MET 11 2HG MET 11 -0.864 0.657 -3.709 83 HG3 MET 11 1HG MET 11 0.661 -0.081 -4.189 84 HE1 MET 11 3HE MET 11 0.934 -0.649 -6.219 85 HE2 MET 11 1HE MET 11 -0.370 0.129 -7.116 86 HE3 MET 11 2HE MET 11 -0.077 -1.600 -7.306 87 H GLN 12 H GLN 12 -0.036 2.115 -1.165 88 HA GLN 12 HA GLN 12 -2.543 1.847 0.334 89 HB2 GLN 12 2HB GLN 12 -0.100 3.391 1.187 90 HB3 GLN 12 1HB GLN 12 -1.704 3.762 1.805 91 HG2 GLN 12 2HG GLN 12 -0.882 0.940 1.972 92 HG3 GLN 12 1HG GLN 12 0.006 2.071 2.993 93 HE21 GLN 12 1HE2 GLN 12 -3.301 1.187 2.074 94 HE22 GLN 12 2HE2 GLN 12 -3.991 1.453 3.635 95 H MET 13 H MET 13 -3.390 4.248 0.732 96 HA MET 13 HA MET 13 -3.761 5.337 -1.907 97 HB2 MET 13 2HB MET 13 -4.846 6.176 0.785 98 HB3 MET 13 1HB MET 13 -5.302 6.922 -0.741 99 HG2 MET 13 2HG MET 13 -5.723 4.033 -0.014 100 HG3 MET 13 1HG MET 13 -6.952 5.295 0.029 101 HE1 MET 13 3HE MET 13 -8.140 3.069 -1.720 102 HE2 MET 13 1HE MET 13 -8.581 4.122 -3.064 103 HE3 MET 13 2HE MET 13 -8.670 4.723 -1.408 104 H LEU 14 H LEU 14 -3.004 7.236 -2.719 105 HA LEU 14 HA LEU 14 -0.974 8.609 -1.098 106 HB2 LEU 14 2HB LEU 14 0.063 9.309 -3.122 107 HB3 LEU 14 1HB LEU 14 -0.265 7.593 -3.258 108 HG LEU 14 HG LEU 14 -2.274 9.480 -4.383 109 HD11 LEU 14 1HD1 LEU 14 -0.864 9.287 -6.552 110 HD12 LEU 14 2HD1 LEU 14 0.487 9.058 -5.441 111 HD13 LEU 14 3HD1 LEU 14 -0.474 10.535 -5.368 112 HD21 LEU 14 3HD2 LEU 14 -3.060 7.587 -5.219 113 HD22 LEU 14 1HD2 LEU 14 -1.761 6.699 -4.421 114 HD23 LEU 14 2HD2 LEU 14 -1.538 7.303 -6.064 115 H ARG 15 H ARG 15 -0.703 10.999 -2.172 116 HA ARG 15 HA ARG 15 -2.818 12.500 -1.140 117 HB2 ARG 15 2HB ARG 15 -0.816 13.438 -3.196 118 HB3 ARG 15 1HB ARG 15 -1.711 14.437 -2.059 119 HG2 ARG 15 2HG ARG 15 -0.082 12.327 -0.831 120 HG3 ARG 15 1HG ARG 15 0.826 13.575 -1.686 121 HD2 ARG 15 2HD ARG 15 -0.671 15.229 -0.385 122 HD3 ARG 15 1HD ARG 15 -1.016 13.852 0.661 123 HE ARG 15 HE ARG 15 1.790 14.299 0.238 124 HH11 ARG 15 1HH1 ARG 15 -0.983 15.181 2.165 125 HH12 ARG 15 2HH1 ARG 15 -0.035 15.679 3.526 126 HH21 ARG 15 1HH2 ARG 15 3.038 14.953 2.027 127 HH22 ARG 15 2HH2 ARG 15 2.247 15.549 3.447 128 H SER 16 H SER 16 -2.128 11.470 -4.436 129 HA SER 16 HA SER 16 -4.106 13.028 -5.711 130 HB2 SER 16 2HB SER 16 -2.521 10.601 -6.450 131 HB3 SER 16 1HB SER 16 -3.894 11.060 -7.456 132 HG SER 16 HG SER 16 -2.610 12.469 -8.313 133 H GLY 17 H GLY 17 -4.199 9.941 -4.069 134 HA2 GLY 17 2HA GLY 17 -6.415 9.417 -3.080 135 HA3 GLY 17 1HA GLY 17 -7.092 9.790 -4.657 136 H GLN 18 H GLN 18 -4.962 8.464 -6.127 137 HA GLN 18 HA GLN 18 -6.081 5.903 -6.341 138 HB2 GLN 18 2HB GLN 18 -4.051 7.427 -7.660 139 HB3 GLN 18 1HB GLN 18 -3.419 5.819 -7.338 140 HG2 GLN 18 2HG GLN 18 -4.421 5.243 -9.237 141 HG3 GLN 18 1HG GLN 18 -5.912 5.265 -8.297 142 HE21 GLN 18 1HE2 GLN 18 -4.714 6.170 -11.121 143 HE22 GLN 18 2HE2 GLN 18 -5.626 7.607 -11.423 144 H CYS 19 H CYS 19 -3.994 4.106 -6.480 145 HA CYS 19 HA CYS 19 -3.069 3.945 -3.686 146 HB2 CYS 19 2HB CYS 19 -4.724 2.119 -5.193 147 HB3 CYS 19 1HB CYS 19 -3.239 1.320 -4.690 148 H VAL 20 H VAL 20 -0.963 4.467 -3.846 149 HA VAL 20 HA VAL 20 0.642 3.261 -5.985 150 HB VAL 20 HB VAL 20 1.458 5.408 -4.022 151 HG11 VAL 20 1HG1 VAL 20 2.753 4.231 -6.464 152 HG12 VAL 20 2HG1 VAL 20 3.410 4.385 -4.834 153 HG13 VAL 20 3HG1 VAL 20 3.197 5.819 -5.838 154 HG21 VAL 20 3HG2 VAL 20 0.559 6.986 -5.329 155 HG22 VAL 20 1HG2 VAL 20 -0.403 5.680 -6.023 156 HG23 VAL 20 2HG2 VAL 20 1.092 6.189 -6.809 157 H ALA 21 H ALA 21 2.745 2.357 -5.455 158 HA ALA 21 HA ALA 21 2.589 0.513 -3.293 159 HB1 ALA 21 1HB ALA 21 4.503 1.092 -5.475 160 HB2 ALA 21 2HB ALA 21 3.783 -0.436 -4.972 161 HB3 ALA 21 3HB ALA 21 5.131 0.244 -4.061 162 H THR 22 H THR 22 2.630 1.404 -1.293 163 HA THR 22 HA THR 22 4.283 3.586 -0.548 164 HB THR 22 HB THR 22 3.366 1.722 1.565 165 HG1 THR 22 1HG THR 22 1.611 2.975 -0.258 166 HG21 THR 22 3HG2 THR 22 2.229 4.325 1.708 167 HG22 THR 22 1HG2 THR 22 3.952 4.466 1.361 168 HG23 THR 22 2HG2 THR 22 3.409 3.564 2.775 169 H THR 23 H THR 23 6.434 3.307 -0.821 170 HA THR 23 HA THR 23 7.689 0.889 0.262 171 HB THR 23 HB THR 23 8.330 1.384 -2.007 172 HG1 THR 23 1HG THR 23 10.068 0.625 -0.946 173 HG21 THR 23 3HG2 THR 23 8.480 3.431 -2.810 174 HG22 THR 23 1HG2 THR 23 9.861 3.745 -1.760 175 HG23 THR 23 2HG2 THR 23 8.227 4.095 -1.197 176 H GLU 24 H GLU 24 6.657 3.020 1.964 177 HA GLU 24 HA GLU 24 9.002 4.391 2.972 178 HB2 GLU 24 2HB GLU 24 6.112 4.644 3.268 179 HB3 GLU 24 1HB GLU 24 6.960 4.806 4.801 180 HG2 GLU 24 2HG GLU 24 8.178 6.314 2.618 181 HG3 GLU 24 1HG GLU 24 6.530 6.809 3.003 182 HA PRO 25 HA PRO 25 8.250 1.617 6.784 183 HB2 PRO 25 2HB PRO 25 6.181 -0.097 6.862 184 HB3 PRO 25 1HB PRO 25 5.988 1.615 7.262 185 HG2 PRO 25 2HG PRO 25 5.333 0.179 4.718 186 HG3 PRO 25 1HG PRO 25 4.394 1.409 5.581 187 HD2 PRO 25 2HD PRO 25 5.961 1.948 3.406 188 HD3 PRO 25 1HD PRO 25 5.590 3.137 4.668 189 HA PRO 26 HA PRO 26 10.346 -1.938 5.174 190 HB2 PRO 26 2HB PRO 26 10.660 -3.395 7.438 191 HB3 PRO 26 1HB PRO 26 11.584 -1.924 7.112 192 HG2 PRO 26 2HG PRO 26 9.152 -2.295 8.818 193 HG3 PRO 26 1HG PRO 26 10.621 -1.357 9.151 194 HD2 PRO 26 2HD PRO 26 8.320 -0.213 8.294 195 HD3 PRO 26 1HD PRO 26 9.922 0.429 7.876 196 H PHE 27 H PHE 27 10.250 -4.484 5.576 197 HA PHE 27 HA PHE 27 7.454 -5.231 5.131 198 HB2 PHE 27 2HB PHE 27 8.664 -7.397 4.272 199 HB3 PHE 27 1HB PHE 27 8.591 -5.963 3.260 200 HD1 PHE 27 1HD PHE 27 10.780 -7.480 5.873 201 HD2 PHE 27 2HD PHE 27 10.529 -5.282 2.238 202 HE1 PHE 27 1HE PHE 27 13.234 -7.489 5.703 203 HE2 PHE 27 2HE PHE 27 12.982 -5.288 2.060 204 HZ PHE 27 HZ PHE 27 14.338 -6.394 3.793 205 H ASP 28 H ASP 28 7.294 -7.806 5.639 206 HA ASP 28 HA ASP 28 7.042 -8.017 8.395 207 HB2 ASP 28 2HB ASP 28 6.954 -9.915 6.118 208 HB3 ASP 28 1HB ASP 28 7.200 -10.621 7.712 209 HA PRO 29 HA PRO 29 11.122 -10.552 8.617 210 HB2 PRO 29 2HB PRO 29 12.671 -10.746 6.407 211 HB3 PRO 29 1HB PRO 29 11.359 -11.878 6.750 212 HG2 PRO 29 2HG PRO 29 11.384 -9.509 4.920 213 HG3 PRO 29 1HG PRO 29 10.707 -11.126 4.649 214 HD2 PRO 29 2HD PRO 29 9.185 -8.992 5.358 215 HD3 PRO 29 1HD PRO 29 8.788 -10.657 5.829 216 H ASP 30 H ASP 30 13.666 -10.034 7.990 217 HA ASP 30 HA ASP 30 14.297 -7.350 7.396 218 HB2 ASP 30 2HB ASP 30 14.913 -6.539 9.620 219 HB3 ASP 30 1HB ASP 30 13.196 -6.927 9.557 220 H SER 31 H SER 31 15.211 -10.221 9.232 221 HA SER 31 HA SER 31 17.552 -10.695 7.779 222 HB2 SER 31 2HB SER 31 17.860 -8.990 10.209 223 HB3 SER 31 1HB SER 31 19.090 -10.216 9.893 224 HG SER 31 HG SER 31 19.550 -8.162 8.928 225 H TYR 32 H TYR 32 15.947 -10.992 10.901 226 HA TYR 32 HA TYR 32 16.408 -13.871 10.817 227 HB2 TYR 32 2HB TYR 32 17.129 -13.953 13.151 228 HB3 TYR 32 1HB TYR 32 18.234 -12.969 12.197 229 HD1 TYR 32 1HD TYR 32 15.656 -12.926 14.806 230 HD2 TYR 32 2HD TYR 32 18.414 -10.586 12.567 231 HE1 TYR 32 1HE TYR 32 15.360 -11.071 16.392 232 HE2 TYR 32 2HE TYR 32 18.127 -8.723 14.148 233 HH TYR 32 HH TYR 32 16.503 -9.091 17.146 Start of MODEL 12 1 H1 SER 1 1HT SER 1 -17.688 -7.882 -3.905 2 H2 SER 1 2HT SER 1 -18.918 -6.696 -3.743 3 H3 SER 1 3HT SER 1 -17.463 -6.557 -2.842 4 HA SER 1 HA SER 1 -16.213 -6.227 -4.806 5 HB2 SER 1 2HB SER 1 -18.768 -6.165 -6.386 6 HB3 SER 1 1HB SER 1 -17.116 -6.399 -6.955 7 HG SER 1 HG SER 1 -17.192 -8.474 -6.392 8 H VAL 2 H VAL 2 -16.350 -4.171 -6.196 9 HA VAL 2 HA VAL 2 -16.466 -1.897 -6.185 10 HB VAL 2 HB VAL 2 -19.320 -2.429 -5.354 11 HG11 VAL 2 1HG1 VAL 2 -18.900 -0.126 -5.032 12 HG12 VAL 2 2HG1 VAL 2 -19.704 -0.252 -6.598 13 HG13 VAL 2 3HG1 VAL 2 -17.959 -0.013 -6.519 14 HG21 VAL 2 3HG2 VAL 2 -17.886 -2.696 -7.922 15 HG22 VAL 2 1HG2 VAL 2 -19.471 -1.926 -7.983 16 HG23 VAL 2 2HG2 VAL 2 -19.306 -3.551 -7.318 17 H GLN 3 H GLN 3 -15.019 -2.009 -4.266 18 HA GLN 3 HA GLN 3 -16.289 -1.334 -1.729 19 HB2 GLN 3 2HB GLN 3 -13.333 -1.603 -2.254 20 HB3 GLN 3 1HB GLN 3 -14.170 -1.709 -0.712 21 HG2 GLN 3 2HG GLN 3 -15.304 -3.770 -1.581 22 HG3 GLN 3 1HG GLN 3 -14.218 -3.694 -2.969 23 HE21 GLN 3 1HE2 GLN 3 -14.141 -5.924 -1.538 24 HE22 GLN 3 2HE2 GLN 3 -12.714 -6.006 -0.568 25 H ILE 4 H ILE 4 -14.415 0.281 -0.555 26 HA ILE 4 HA ILE 4 -14.824 2.782 -2.025 27 HB ILE 4 HB ILE 4 -13.896 2.487 0.829 28 HG12 ILE 4 2HG1 ILE 4 -16.651 3.335 0.521 29 HG13 ILE 4 1HG1 ILE 4 -16.403 1.745 -0.189 30 HG21 ILE 4 1HG2 ILE 4 -14.639 4.737 -0.937 31 HG22 ILE 4 2HG2 ILE 4 -13.470 4.664 0.381 32 HG23 ILE 4 3HG2 ILE 4 -15.190 4.825 0.736 33 HD11 ILE 4 3HD1 ILE 4 -16.383 2.587 2.616 34 HD12 ILE 4 1HD1 ILE 4 -15.115 1.446 2.165 35 HD13 ILE 4 2HD1 ILE 4 -16.809 1.036 1.893 36 H LEU 5 H LEU 5 -12.730 0.921 -2.789 37 HA LEU 5 HA LEU 5 -10.614 2.709 -3.179 38 HB2 LEU 5 2HB LEU 5 -8.893 1.406 -1.799 39 HB3 LEU 5 1HB LEU 5 -9.928 2.545 -0.960 40 HG LEU 5 HG LEU 5 -11.378 0.268 -0.679 41 HD11 LEU 5 1HD1 LEU 5 -10.093 -1.440 -1.377 42 HD12 LEU 5 2HD1 LEU 5 -9.318 -1.242 0.195 43 HD13 LEU 5 3HD1 LEU 5 -8.599 -0.512 -1.243 44 HD21 LEU 5 3HD2 LEU 5 -10.988 0.575 1.524 45 HD22 LEU 5 1HD2 LEU 5 -10.208 2.051 0.956 46 HD23 LEU 5 2HD2 LEU 5 -9.237 0.625 1.319 47 H ARG 6 H ARG 6 -10.478 2.003 -5.241 48 HA ARG 6 HA ARG 6 -10.445 -0.794 -5.902 49 HB2 ARG 6 2HB ARG 6 -11.203 1.389 -7.280 50 HB3 ARG 6 1HB ARG 6 -9.568 1.210 -7.903 51 HG2 ARG 6 2HG ARG 6 -10.103 -0.579 -9.130 52 HG3 ARG 6 1HG ARG 6 -11.087 -1.285 -7.846 53 HD2 ARG 6 2HD ARG 6 -11.902 0.881 -9.778 54 HD3 ARG 6 1HD ARG 6 -12.494 -0.779 -9.734 55 HE ARG 6 HE ARG 6 -13.033 0.325 -7.252 56 HH11 ARG 6 1HH1 ARG 6 -13.939 0.902 -10.574 57 HH12 ARG 6 2HH1 ARG 6 -15.494 1.546 -10.169 58 HH21 ARG 6 1HH2 ARG 6 -15.079 1.174 -6.718 59 HH22 ARG 6 2HH2 ARG 6 -16.141 1.703 -7.980 60 H CYS 7 H CYS 7 -8.511 -0.872 -4.258 61 HA CYS 7 HA CYS 7 -6.140 -1.257 -5.866 62 HB2 CYS 7 2HB CYS 7 -6.251 0.759 -3.630 63 HB3 CYS 7 1HB CYS 7 -4.740 0.012 -4.134 64 HA PRO 8 HA PRO 8 -6.890 -4.612 -2.778 65 HB2 PRO 8 2HB PRO 8 -5.317 -6.370 -4.264 66 HB3 PRO 8 1HB PRO 8 -7.073 -6.237 -4.347 67 HG2 PRO 8 2HG PRO 8 -4.992 -5.087 -6.142 68 HG3 PRO 8 1HG PRO 8 -6.602 -5.713 -6.542 69 HD2 PRO 8 2HD PRO 8 -6.082 -3.077 -6.450 70 HD3 PRO 8 1HD PRO 8 -7.653 -3.737 -5.949 71 H ASP 9 H ASP 9 -4.921 -6.413 -2.339 72 HA ASP 9 HA ASP 9 -3.126 -5.036 -0.694 73 HB2 ASP 9 2HB ASP 9 -3.865 -7.622 -0.910 74 HB3 ASP 9 1HB ASP 9 -2.284 -7.701 -1.681 75 H GLY 10 H GLY 10 -1.060 -4.322 -0.934 76 HA2 GLY 10 2HA GLY 10 1.028 -4.065 -1.966 77 HA3 GLY 10 1HA GLY 10 0.423 -4.948 -3.361 78 H MET 11 H MET 11 -1.981 -2.888 -2.922 79 HA MET 11 HA MET 11 -0.678 -0.629 -4.277 80 HB2 MET 11 2HB MET 11 -2.846 -2.377 -5.280 81 HB3 MET 11 1HB MET 11 -3.079 -0.650 -5.522 82 HG2 MET 11 2HG MET 11 -0.904 -0.532 -6.653 83 HG3 MET 11 1HG MET 11 -0.719 -2.273 -6.445 84 HE1 MET 11 3HE MET 11 -1.241 -1.837 -10.225 85 HE2 MET 11 1HE MET 11 -0.837 -3.231 -9.222 86 HE3 MET 11 2HE MET 11 -0.090 -1.667 -8.900 87 H GLN 12 H GLN 12 -1.430 1.369 -3.742 88 HA GLN 12 HA GLN 12 -3.925 1.674 -2.301 89 HB2 GLN 12 2HB GLN 12 -1.274 1.790 -0.991 90 HB3 GLN 12 1HB GLN 12 -2.383 3.095 -0.590 91 HG2 GLN 12 2HG GLN 12 -3.306 0.261 -0.454 92 HG3 GLN 12 1HG GLN 12 -2.339 0.943 0.851 93 HE21 GLN 12 1HE2 GLN 12 -3.213 3.403 1.196 94 HE22 GLN 12 2HE2 GLN 12 -4.896 3.443 1.580 95 H MET 13 H MET 13 -4.717 3.777 -2.320 96 HA MET 13 HA MET 13 -3.565 5.479 -4.351 97 HB2 MET 13 2HB MET 13 -6.134 5.366 -2.854 98 HB3 MET 13 1HB MET 13 -5.644 6.925 -3.503 99 HG2 MET 13 2HG MET 13 -5.250 5.393 -5.667 100 HG3 MET 13 1HG MET 13 -6.548 4.488 -4.890 101 HE1 MET 13 3HE MET 13 -9.088 5.327 -4.790 102 HE2 MET 13 1HE MET 13 -9.437 7.054 -4.706 103 HE3 MET 13 2HE MET 13 -8.361 6.314 -3.522 104 H LEU 14 H LEU 14 -2.584 7.420 -4.070 105 HA LEU 14 HA LEU 14 -1.917 8.152 -1.307 106 HB2 LEU 14 2HB LEU 14 -0.598 9.248 -3.774 107 HB3 LEU 14 1HB LEU 14 0.025 9.197 -2.135 108 HG LEU 14 HG LEU 14 -0.308 6.849 -4.002 109 HD11 LEU 14 1HD1 LEU 14 2.219 6.760 -3.555 110 HD12 LEU 14 2HD1 LEU 14 2.039 8.429 -3.014 111 HD13 LEU 14 3HD1 LEU 14 1.613 7.987 -4.667 112 HD21 LEU 14 3HD2 LEU 14 -0.662 5.782 -2.027 113 HD22 LEU 14 1HD2 LEU 14 0.161 7.022 -1.079 114 HD23 LEU 14 2HD2 LEU 14 1.102 5.837 -1.988 115 H ARG 15 H ARG 15 -1.294 10.700 -1.345 116 HA ARG 15 HA ARG 15 -3.757 12.049 -1.363 117 HB2 ARG 15 2HB ARG 15 -0.907 12.844 -1.013 118 HB3 ARG 15 1HB ARG 15 -2.082 14.115 -1.322 119 HG2 ARG 15 2HG ARG 15 -1.811 13.904 1.035 120 HG3 ARG 15 1HG ARG 15 -3.404 13.280 0.610 121 HD2 ARG 15 2HD ARG 15 -2.738 11.055 0.909 122 HD3 ARG 15 1HD ARG 15 -1.025 11.468 0.852 123 HE ARG 15 HE ARG 15 -2.757 11.563 3.142 124 HH11 ARG 15 1HH1 ARG 15 0.163 12.834 1.713 125 HH12 ARG 15 2HH1 ARG 15 0.868 13.265 3.236 126 HH21 ARG 15 1HH2 ARG 15 -1.834 12.132 5.143 127 HH22 ARG 15 2HH2 ARG 15 -0.265 12.868 5.183 128 H SER 16 H SER 16 -1.223 11.765 -3.760 129 HA SER 16 HA SER 16 -2.039 13.874 -5.448 130 HB2 SER 16 2HB SER 16 -0.872 12.195 -7.198 131 HB3 SER 16 1HB SER 16 0.050 13.191 -6.073 132 HG SER 16 HG SER 16 -0.772 10.518 -5.586 133 H GLY 17 H GLY 17 -3.129 10.576 -5.069 134 HA2 GLY 17 2HA GLY 17 -5.480 10.193 -5.706 135 HA3 GLY 17 1HA GLY 17 -5.130 11.069 -7.189 136 H GLN 18 H GLN 18 -2.483 9.744 -7.432 137 HA GLN 18 HA GLN 18 -3.382 7.465 -8.924 138 HB2 GLN 18 2HB GLN 18 -0.795 8.880 -8.515 139 HB3 GLN 18 1HB GLN 18 -0.729 7.210 -9.062 140 HG2 GLN 18 2HG GLN 18 -1.736 7.685 -11.077 141 HG3 GLN 18 1HG GLN 18 -2.505 9.150 -10.466 142 HE21 GLN 18 1HE2 GLN 18 0.098 7.871 -12.174 143 HE22 GLN 18 2HE2 GLN 18 1.046 9.310 -12.304 144 H CYS 19 H CYS 19 -2.852 5.293 -8.587 145 HA CYS 19 HA CYS 19 -2.439 4.605 -5.781 146 HB2 CYS 19 2HB CYS 19 -4.330 3.662 -7.252 147 HB3 CYS 19 1HB CYS 19 -3.081 2.665 -7.991 148 H VAL 20 H VAL 20 -0.412 4.288 -5.148 149 HA VAL 20 HA VAL 20 1.544 3.231 -7.058 150 HB VAL 20 HB VAL 20 2.087 4.370 -4.317 151 HG11 VAL 20 1HG1 VAL 20 4.348 4.780 -5.565 152 HG12 VAL 20 2HG1 VAL 20 3.776 3.477 -6.608 153 HG13 VAL 20 3HG1 VAL 20 3.985 3.196 -4.879 154 HG21 VAL 20 3HG2 VAL 20 2.817 6.409 -5.599 155 HG22 VAL 20 1HG2 VAL 20 1.076 6.129 -5.553 156 HG23 VAL 20 2HG2 VAL 20 1.996 5.727 -7.003 157 H ALA 21 H ALA 21 3.079 1.603 -6.325 158 HA ALA 21 HA ALA 21 1.778 -0.612 -5.122 159 HB1 ALA 21 1HB ALA 21 3.609 -0.675 -6.872 160 HB2 ALA 21 2HB ALA 21 3.754 -1.828 -5.544 161 HB3 ALA 21 3HB ALA 21 4.743 -0.366 -5.556 162 H THR 22 H THR 22 1.260 -0.540 -3.018 163 HA THR 22 HA THR 22 2.948 0.744 -1.071 164 HB THR 22 HB THR 22 0.945 -0.915 0.144 165 HG1 THR 22 1HG THR 22 0.046 0.687 -2.015 166 HG21 THR 22 3HG2 THR 22 1.367 2.027 -0.159 167 HG22 THR 22 1HG2 THR 22 1.475 1.026 1.288 168 HG23 THR 22 2HG2 THR 22 -0.100 1.386 0.580 169 H THR 23 H THR 23 4.888 -0.399 -1.109 170 HA THR 23 HA THR 23 4.744 -3.094 0.068 171 HB THR 23 HB THR 23 5.439 -3.217 -2.290 172 HG1 THR 23 1HG THR 23 6.358 -4.759 -1.012 173 HG21 THR 23 3HG2 THR 23 7.031 -0.950 -1.634 174 HG22 THR 23 1HG2 THR 23 6.756 -1.704 -3.204 175 HG23 THR 23 2HG2 THR 23 8.078 -2.261 -2.177 176 H GLU 24 H GLU 24 4.860 -0.846 1.651 177 HA GLU 24 HA GLU 24 7.378 0.117 2.328 178 HB2 GLU 24 2HB GLU 24 5.015 0.807 3.161 179 HB3 GLU 24 1HB GLU 24 5.285 -0.395 4.416 180 HG2 GLU 24 2HG GLU 24 7.304 0.784 5.116 181 HG3 GLU 24 1HG GLU 24 7.039 1.987 3.854 182 HA PRO 25 HA PRO 25 8.995 -3.805 3.906 183 HB2 PRO 25 2HB PRO 25 11.580 -3.039 4.022 184 HB3 PRO 25 1HB PRO 25 10.793 -3.476 2.500 185 HG2 PRO 25 2HG PRO 25 11.332 -0.760 3.640 186 HG3 PRO 25 1HG PRO 25 11.543 -1.335 1.977 187 HD2 PRO 25 2HD PRO 25 9.390 0.117 2.779 188 HD3 PRO 25 1HD PRO 25 9.314 -1.084 1.474 189 HA PRO 26 HA PRO 26 9.195 -2.854 8.228 190 HB2 PRO 26 2HB PRO 26 10.467 -5.051 9.159 191 HB3 PRO 26 1HB PRO 26 8.798 -5.095 8.578 192 HG2 PRO 26 2HG PRO 26 11.318 -5.887 7.167 193 HG3 PRO 26 1HG PRO 26 9.750 -6.716 7.207 194 HD2 PRO 26 2HD PRO 26 10.544 -5.166 5.124 195 HD3 PRO 26 1HD PRO 26 8.843 -5.350 5.595 196 H PHE 27 H PHE 27 11.052 -3.378 10.078 197 HA PHE 27 HA PHE 27 13.008 -1.423 9.693 198 HB2 PHE 27 2HB PHE 27 12.134 -3.053 11.808 199 HB3 PHE 27 1HB PHE 27 13.856 -3.382 11.643 200 HD1 PHE 27 2HD PHE 27 15.498 -1.622 12.003 201 HD2 PHE 27 1HD PHE 27 11.335 -0.903 12.516 202 HE1 PHE 27 2HE PHE 27 16.011 0.451 13.223 203 HE2 PHE 27 1HE PHE 27 11.840 1.172 13.736 204 HZ PHE 27 HZ PHE 27 14.180 1.852 14.091 205 H ASP 28 H ASP 28 15.434 -1.919 10.031 206 HA ASP 28 HA ASP 28 16.389 -3.219 7.747 207 HB2 ASP 28 2HB ASP 28 17.549 -1.888 10.082 208 HB3 ASP 28 1HB ASP 28 18.565 -3.180 9.445 209 HA PRO 29 HA PRO 29 17.942 -6.771 10.869 210 HB2 PRO 29 2HB PRO 29 15.600 -6.434 12.697 211 HB3 PRO 29 1HB PRO 29 17.237 -6.992 13.060 212 HG2 PRO 29 2HG PRO 29 16.472 -4.517 13.683 213 HG3 PRO 29 1HG PRO 29 18.108 -4.846 13.085 214 HD2 PRO 29 2HD PRO 29 15.808 -3.572 11.703 215 HD3 PRO 29 1HD PRO 29 17.547 -3.308 11.485 216 H ASP 30 H ASP 30 16.876 -8.933 11.195 217 HA ASP 30 HA ASP 30 14.276 -9.241 9.936 218 HB2 ASP 30 2HB ASP 30 15.860 -9.287 8.049 219 HB3 ASP 30 1HB ASP 30 16.743 -10.596 8.827 220 H SER 31 H SER 31 17.009 -11.410 10.607 221 HA SER 31 HA SER 31 15.999 -12.481 12.993 222 HB2 SER 31 2HB SER 31 15.511 -14.817 11.758 223 HB3 SER 31 1HB SER 31 14.247 -13.632 12.083 224 HG SER 31 HG SER 31 13.963 -13.742 10.000 225 H TYR 32 H TYR 32 18.305 -12.068 13.231 226 HA TYR 32 HA TYR 32 20.120 -13.880 11.870 227 HB2 TYR 32 2HB TYR 32 21.856 -12.690 13.275 228 HB3 TYR 32 1HB TYR 32 20.963 -11.671 12.152 229 HD1 TYR 32 2HD TYR 32 20.758 -12.839 15.700 230 HD2 TYR 32 1HD TYR 32 20.162 -9.656 12.941 231 HE1 TYR 32 2HE TYR 32 20.134 -11.354 17.557 232 HE2 TYR 32 1HE TYR 32 19.536 -8.161 14.790 233 HH TYR 32 HH TYR 32 20.182 -8.759 17.936 Start of MODEL 13 1 H1 SER 1 1HT SER 1 -15.373 8.863 -10.168 2 H2 SER 1 2HT SER 1 -14.128 8.082 -9.281 3 H3 SER 1 3HT SER 1 -15.753 8.005 -8.733 4 HA SER 1 HA SER 1 -16.400 6.685 -10.519 5 HB2 SER 1 2HB SER 1 -13.576 6.895 -11.576 6 HB3 SER 1 1HB SER 1 -14.983 6.208 -12.385 7 HG SER 1 HG SER 1 -14.547 8.295 -13.160 8 H VAL 2 H VAL 2 -16.422 5.513 -8.474 9 HA VAL 2 HA VAL 2 -14.090 3.996 -7.715 10 HB VAL 2 HB VAL 2 -16.919 3.659 -6.716 11 HG11 VAL 2 1HG1 VAL 2 -14.250 2.648 -5.864 12 HG12 VAL 2 2HG1 VAL 2 -15.805 1.818 -5.926 13 HG13 VAL 2 3HG1 VAL 2 -15.473 2.973 -4.636 14 HG21 VAL 2 3HG2 VAL 2 -16.641 5.799 -6.038 15 HG22 VAL 2 1HG2 VAL 2 -14.883 5.723 -6.162 16 HG23 VAL 2 2HG2 VAL 2 -15.698 5.037 -4.756 17 H GLN 3 H GLN 3 -13.869 1.740 -7.798 18 HA GLN 3 HA GLN 3 -15.701 0.349 -9.627 19 HB2 GLN 3 2HB GLN 3 -13.199 1.073 -10.359 20 HB3 GLN 3 1HB GLN 3 -12.869 -0.500 -9.645 21 HG2 GLN 3 2HG GLN 3 -14.724 -1.391 -11.135 22 HG3 GLN 3 1HG GLN 3 -14.630 0.153 -11.981 23 HE21 GLN 3 1HE2 GLN 3 -14.175 -1.779 -13.586 24 HE22 GLN 3 2HE2 GLN 3 -12.497 -2.047 -13.898 25 H ILE 4 H ILE 4 -15.571 -2.039 -9.447 26 HA ILE 4 HA ILE 4 -15.908 -2.862 -6.775 27 HB ILE 4 HB ILE 4 -17.049 -3.965 -8.644 28 HG12 ILE 4 2HG1 ILE 4 -16.775 -6.274 -7.889 29 HG13 ILE 4 1HG1 ILE 4 -15.232 -5.868 -7.146 30 HG21 ILE 4 1HG2 ILE 4 -15.394 -3.933 -10.349 31 HG22 ILE 4 2HG2 ILE 4 -15.752 -5.626 -10.006 32 HG23 ILE 4 3HG2 ILE 4 -14.279 -4.891 -9.372 33 HD11 ILE 4 3HD1 ILE 4 -17.671 -5.906 -5.896 34 HD12 ILE 4 1HD1 ILE 4 -17.410 -4.189 -6.209 35 HD13 ILE 4 2HD1 ILE 4 -16.213 -5.113 -5.300 36 H LEU 5 H LEU 5 -13.150 -2.869 -8.902 37 HA LEU 5 HA LEU 5 -11.566 -4.786 -7.609 38 HB2 LEU 5 2HB LEU 5 -11.052 -2.489 -9.424 39 HB3 LEU 5 1HB LEU 5 -9.683 -3.159 -8.558 40 HG LEU 5 HG LEU 5 -10.567 -5.440 -9.514 41 HD11 LEU 5 1HD1 LEU 5 -11.904 -5.399 -11.359 42 HD12 LEU 5 2HD1 LEU 5 -11.418 -3.765 -11.814 43 HD13 LEU 5 3HD1 LEU 5 -12.563 -4.010 -10.494 44 HD21 LEU 5 3HD2 LEU 5 -8.455 -4.938 -10.202 45 HD22 LEU 5 1HD2 LEU 5 -8.898 -3.322 -10.754 46 HD23 LEU 5 2HD2 LEU 5 -9.305 -4.731 -11.732 47 H ARG 6 H ARG 6 -10.724 -1.351 -7.510 48 HA ARG 6 HA ARG 6 -9.879 -0.036 -5.859 49 HB2 ARG 6 2HB ARG 6 -12.124 -0.328 -4.920 50 HB3 ARG 6 1HB ARG 6 -11.604 -1.801 -4.116 51 HG2 ARG 6 2HG ARG 6 -10.310 -0.650 -2.569 52 HG3 ARG 6 1HG ARG 6 -10.231 0.800 -3.573 53 HD2 ARG 6 2HD ARG 6 -12.307 1.520 -2.939 54 HD3 ARG 6 1HD ARG 6 -12.898 -0.111 -2.633 55 HE ARG 6 HE ARG 6 -11.567 1.635 -0.772 56 HH11 ARG 6 1HH1 ARG 6 -12.362 -1.677 -1.535 57 HH12 ARG 6 2HH1 ARG 6 -12.212 -2.221 0.101 58 HH21 ARG 6 1HH2 ARG 6 -11.370 0.922 1.380 59 HH22 ARG 6 2HH2 ARG 6 -11.650 -0.745 1.757 60 H CYS 7 H CYS 7 -8.471 -0.013 -3.906 61 HA CYS 7 HA CYS 7 -6.531 -2.124 -4.099 62 HB2 CYS 7 2HB CYS 7 -6.670 0.566 -2.890 63 HB3 CYS 7 1HB CYS 7 -5.636 -0.584 -2.049 64 HA PRO 8 HA PRO 8 -8.593 -4.658 -0.985 65 HB2 PRO 8 2HB PRO 8 -5.873 -5.882 -1.014 66 HB3 PRO 8 1HB PRO 8 -7.457 -6.659 -1.110 67 HG2 PRO 8 2HG PRO 8 -5.932 -6.382 -3.280 68 HG3 PRO 8 1HG PRO 8 -7.693 -6.200 -3.367 69 HD2 PRO 8 2HD PRO 8 -5.567 -4.117 -3.446 70 HD3 PRO 8 1HD PRO 8 -7.149 -4.151 -4.244 71 H ASP 9 H ASP 9 -7.706 -5.598 1.206 72 HA ASP 9 HA ASP 9 -7.167 -3.445 2.903 73 HB2 ASP 9 2HB ASP 9 -8.179 -5.700 3.510 74 HB3 ASP 9 1HB ASP 9 -6.533 -6.327 3.545 75 H GLY 10 H GLY 10 -5.348 -2.490 3.607 76 HA2 GLY 10 2HA GLY 10 -3.037 -2.571 4.275 77 HA3 GLY 10 1HA GLY 10 -2.775 -3.818 3.065 78 H MET 11 H MET 11 -4.466 -2.159 1.154 79 HA MET 11 HA MET 11 -2.331 -0.268 0.422 80 HB2 MET 11 2HB MET 11 -4.265 -1.820 -1.299 81 HB3 MET 11 1HB MET 11 -3.262 -0.514 -1.916 82 HG2 MET 11 2HG MET 11 -1.475 -2.157 -0.593 83 HG3 MET 11 1HG MET 11 -2.592 -3.277 -1.372 84 HE1 MET 11 3HE MET 11 -0.237 -3.918 -2.059 85 HE2 MET 11 1HE MET 11 0.645 -3.233 -3.424 86 HE3 MET 11 2HE MET 11 -0.794 -4.211 -3.707 87 H GLN 12 H GLN 12 -2.850 1.775 0.802 88 HA GLN 12 HA GLN 12 -5.652 2.607 0.430 89 HB2 GLN 12 2HB GLN 12 -5.251 4.342 2.125 90 HB3 GLN 12 1HB GLN 12 -5.003 2.728 2.776 91 HG2 GLN 12 2HG GLN 12 -2.495 3.410 1.915 92 HG3 GLN 12 1HG GLN 12 -3.137 4.945 2.498 93 HE21 GLN 12 1HE2 GLN 12 -1.494 4.793 4.135 94 HE22 GLN 12 2HE2 GLN 12 -1.771 3.833 5.544 95 H MET 13 H MET 13 -6.058 4.267 -0.916 96 HA MET 13 HA MET 13 -3.901 5.264 -2.540 97 HB2 MET 13 2HB MET 13 -5.682 6.439 -3.779 98 HB3 MET 13 1HB MET 13 -6.026 4.726 -3.585 99 HG2 MET 13 2HG MET 13 -7.585 5.203 -1.804 100 HG3 MET 13 1HG MET 13 -7.187 6.918 -1.882 101 HE1 MET 13 3HE MET 13 -10.851 5.609 -3.501 102 HE2 MET 13 1HE MET 13 -10.221 6.265 -1.990 103 HE3 MET 13 2HE MET 13 -9.804 4.623 -2.480 104 H LEU 14 H LEU 14 -3.027 7.277 -2.564 105 HA LEU 14 HA LEU 14 -3.422 8.903 -0.211 106 HB2 LEU 14 2HB LEU 14 -1.680 9.619 -2.552 107 HB3 LEU 14 1HB LEU 14 -1.498 10.089 -0.873 108 HG LEU 14 HG LEU 14 -1.263 7.205 -1.635 109 HD11 LEU 14 1HD1 LEU 14 1.316 7.977 -1.575 110 HD12 LEU 14 2HD1 LEU 14 0.584 9.383 -2.348 111 HD13 LEU 14 3HD1 LEU 14 0.383 7.783 -3.058 112 HD21 LEU 14 3HD2 LEU 14 -1.343 8.194 0.757 113 HD22 LEU 14 1HD2 LEU 14 0.314 8.692 0.424 114 HD23 LEU 14 2HD2 LEU 14 -0.121 6.984 0.366 115 H ARG 15 H ARG 15 -3.351 11.399 -0.667 116 HA ARG 15 HA ARG 15 -5.839 12.131 -1.707 117 HB2 ARG 15 2HB ARG 15 -4.000 13.367 -0.159 118 HB3 ARG 15 1HB ARG 15 -3.736 14.213 -1.679 119 HG2 ARG 15 2HG ARG 15 -5.328 15.557 -0.791 120 HG3 ARG 15 1HG ARG 15 -6.377 14.395 -1.606 121 HD2 ARG 15 2HD ARG 15 -6.260 13.107 0.647 122 HD3 ARG 15 1HD ARG 15 -5.739 14.659 1.305 123 HE ARG 15 HE ARG 15 -8.382 13.928 0.538 124 HH11 ARG 15 1HH1 ARG 15 -6.174 16.625 0.707 125 HH12 ARG 15 2HH1 ARG 15 -7.432 17.808 0.831 126 HH21 ARG 15 1HH2 ARG 15 -10.039 15.482 0.699 127 HH22 ARG 15 2HH2 ARG 15 -9.626 17.159 0.826 128 H SER 16 H SER 16 -2.703 11.890 -3.216 129 HA SER 16 HA SER 16 -3.320 13.402 -5.543 130 HB2 SER 16 2HB SER 16 -1.139 11.545 -4.713 131 HB3 SER 16 1HB SER 16 -1.337 11.860 -6.437 132 HG SER 16 HG SER 16 -1.152 14.091 -5.967 133 H GLY 17 H GLY 17 -3.643 10.013 -4.659 134 HA2 GLY 17 2HA GLY 17 -5.641 8.987 -5.819 135 HA3 GLY 17 1HA GLY 17 -4.853 9.497 -7.303 136 H GLN 18 H GLN 18 -2.180 8.828 -6.172 137 HA GLN 18 HA GLN 18 -1.907 6.255 -7.220 138 HB2 GLN 18 2HB GLN 18 -0.171 7.949 -5.448 139 HB3 GLN 18 1HB GLN 18 0.305 6.307 -5.862 140 HG2 GLN 18 2HG GLN 18 0.806 6.842 -7.992 141 HG3 GLN 18 1HG GLN 18 -0.496 8.024 -8.117 142 HE21 GLN 18 1HE2 GLN 18 2.429 8.081 -8.785 143 HE22 GLN 18 2HE2 GLN 18 3.023 9.505 -8.010 144 H CYS 19 H CYS 19 -1.672 4.227 -6.291 145 HA CYS 19 HA CYS 19 -2.910 3.954 -3.650 146 HB2 CYS 19 2HB CYS 19 -3.207 2.548 -6.083 147 HB3 CYS 19 1HB CYS 19 -2.454 1.431 -4.950 148 H VAL 20 H VAL 20 -1.501 3.911 -2.027 149 HA VAL 20 HA VAL 20 1.107 2.628 -2.419 150 HB VAL 20 HB VAL 20 0.202 4.287 -0.063 151 HG11 VAL 20 1HG1 VAL 20 2.859 3.211 -0.961 152 HG12 VAL 20 2HG1 VAL 20 2.044 2.980 0.586 153 HG13 VAL 20 3HG1 VAL 20 2.721 4.555 0.172 154 HG21 VAL 20 3HG2 VAL 20 1.677 6.051 -1.154 155 HG22 VAL 20 1HG2 VAL 20 0.099 5.767 -1.889 156 HG23 VAL 20 2HG2 VAL 20 1.551 5.089 -2.626 157 H ALA 21 H ALA 21 1.588 0.730 -1.518 158 HA ALA 21 HA ALA 21 -0.425 -0.601 0.098 159 HB1 ALA 21 1HB ALA 21 1.081 -1.543 -1.890 160 HB2 ALA 21 2HB ALA 21 0.479 -2.566 -0.586 161 HB3 ALA 21 3HB ALA 21 2.132 -1.953 -0.534 162 H THR 22 H THR 22 0.263 -1.871 2.015 163 HA THR 22 HA THR 22 1.907 -0.205 3.740 164 HB THR 22 HB THR 22 -0.298 -0.950 4.535 165 HG1 THR 22 1HG THR 22 1.808 -2.170 5.986 166 HG21 THR 22 3HG2 THR 22 0.848 -3.730 4.526 167 HG22 THR 22 1HG2 THR 22 -0.395 -3.135 3.426 168 HG23 THR 22 2HG2 THR 22 -0.723 -3.237 5.155 169 H THR 23 H THR 23 3.453 -1.434 1.848 170 HA THR 23 HA THR 23 4.939 -3.394 3.459 171 HB THR 23 HB THR 23 3.830 -4.610 1.674 172 HG1 THR 23 1HG THR 23 6.574 -4.220 1.081 173 HG21 THR 23 3HG2 THR 23 4.551 -2.322 0.069 174 HG22 THR 23 1HG2 THR 23 3.368 -3.593 -0.236 175 HG23 THR 23 2HG2 THR 23 5.059 -3.839 -0.674 176 H GLU 24 H GLU 24 5.893 -1.188 4.019 177 HA GLU 24 HA GLU 24 7.366 0.385 2.308 178 HB2 GLU 24 2HB GLU 24 7.168 0.004 5.131 179 HB3 GLU 24 1HB GLU 24 8.871 0.130 4.711 180 HG2 GLU 24 2HG GLU 24 7.937 2.184 3.288 181 HG3 GLU 24 1HG GLU 24 6.722 2.150 4.566 182 HA PRO 25 HA PRO 25 11.149 -1.420 0.943 183 HB2 PRO 25 2HB PRO 25 12.703 -0.032 3.081 184 HB3 PRO 25 1HB PRO 25 12.989 -0.085 1.337 185 HG2 PRO 25 2HG PRO 25 11.947 2.084 2.470 186 HG3 PRO 25 1HG PRO 25 11.372 1.519 0.890 187 HD2 PRO 25 2HD PRO 25 10.078 1.307 3.568 188 HD3 PRO 25 1HD PRO 25 9.339 1.527 1.968 189 HA PRO 26 HA PRO 26 12.574 -4.970 3.145 190 HB2 PRO 26 2HB PRO 26 15.307 -3.808 3.425 191 HB3 PRO 26 1HB PRO 26 14.813 -5.386 2.800 192 HG2 PRO 26 2HG PRO 26 15.564 -3.446 1.140 193 HG3 PRO 26 1HG PRO 26 14.222 -4.529 0.728 194 HD2 PRO 26 2HD PRO 26 14.159 -1.694 1.648 195 HD3 PRO 26 1HD PRO 26 13.084 -2.539 0.516 196 H PHE 27 H PHE 27 13.717 -5.714 5.202 197 HA PHE 27 HA PHE 27 13.141 -3.774 7.328 198 HB2 PHE 27 2HB PHE 27 12.832 -6.715 7.085 199 HB3 PHE 27 1HB PHE 27 13.296 -6.098 8.667 200 HD1 PHE 27 1HD PHE 27 10.732 -5.840 6.011 201 HD2 PHE 27 2HD PHE 27 11.719 -5.102 10.084 202 HE1 PHE 27 1HE PHE 27 8.381 -5.281 6.475 203 HE2 PHE 27 2HE PHE 27 9.369 -4.544 10.556 204 HZ PHE 27 HZ PHE 27 7.697 -4.632 8.750 205 H ASP 28 H ASP 28 14.465 -4.218 9.388 206 HA ASP 28 HA ASP 28 17.147 -3.646 8.877 207 HB2 ASP 28 2HB ASP 28 15.559 -4.353 11.293 208 HB3 ASP 28 1HB ASP 28 17.312 -4.481 11.414 209 HA PRO 29 HA PRO 29 18.999 -7.579 8.137 210 HB2 PRO 29 2HB PRO 29 21.517 -7.124 9.056 211 HB3 PRO 29 1HB PRO 29 20.912 -6.466 7.532 212 HG2 PRO 29 2HG PRO 29 21.159 -5.141 10.203 213 HG3 PRO 29 1HG PRO 29 21.530 -4.497 8.593 214 HD2 PRO 29 2HD PRO 29 19.242 -3.899 9.913 215 HD3 PRO 29 1HD PRO 29 19.324 -4.004 8.142 216 H ASP 30 H ASP 30 19.860 -6.184 11.288 217 HA ASP 30 HA ASP 30 20.285 -7.162 13.318 218 HB2 ASP 30 2HB ASP 30 18.398 -8.430 14.193 219 HB3 ASP 30 1HB ASP 30 17.821 -7.068 13.237 220 H SER 31 H SER 31 21.675 -8.434 11.127 221 HA SER 31 HA SER 31 23.019 -10.233 10.774 222 HB2 SER 31 2HB SER 31 22.337 -10.434 13.637 223 HB3 SER 31 1HB SER 31 22.882 -11.938 12.894 224 HG SER 31 HG SER 31 24.282 -9.496 12.597 225 H TYR 32 H TYR 32 20.623 -11.895 12.780 226 HA TYR 32 HA TYR 32 19.351 -13.081 10.465 227 HB2 TYR 32 2HB TYR 32 19.779 -15.415 11.312 228 HB3 TYR 32 1HB TYR 32 21.190 -14.597 10.648 229 HD1 TYR 32 2HD TYR 32 19.486 -15.313 13.884 230 HD2 TYR 32 1HD TYR 32 23.155 -14.491 11.893 231 HE1 TYR 32 2HE TYR 32 20.710 -15.748 15.972 232 HE2 TYR 32 1HE TYR 32 24.389 -14.926 13.974 233 HH TYR 32 HH TYR 32 23.896 -14.868 16.454 Start of MODEL 14 1 H1 SER 1 1HT SER 1 -20.022 2.715 -5.259 2 H2 SER 1 2HT SER 1 -19.789 4.408 -5.406 3 H3 SER 1 3HT SER 1 -18.532 3.417 -4.787 4 HA SER 1 HA SER 1 -19.644 3.204 -7.501 5 HB2 SER 1 2HB SER 1 -18.310 5.360 -6.634 6 HB3 SER 1 1HB SER 1 -16.930 4.309 -6.956 7 HG SER 1 HG SER 1 -18.858 5.316 -8.737 8 H VAL 2 H VAL 2 -18.808 1.557 -8.673 9 HA VAL 2 HA VAL 2 -17.413 -0.522 -7.290 10 HB VAL 2 HB VAL 2 -17.945 -0.351 -10.256 11 HG11 VAL 2 1HG1 VAL 2 -17.973 -2.911 -8.780 12 HG12 VAL 2 2HG1 VAL 2 -16.404 -2.134 -8.986 13 HG13 VAL 2 3HG1 VAL 2 -17.379 -2.538 -10.397 14 HG21 VAL 2 3HG2 VAL 2 -19.720 -1.479 -8.092 15 HG22 VAL 2 1HG2 VAL 2 -20.021 -1.556 -9.828 16 HG23 VAL 2 2HG2 VAL 2 -20.020 0.002 -9.001 17 H GLN 3 H GLN 3 -15.290 -0.655 -7.017 18 HA GLN 3 HA GLN 3 -13.511 0.998 -8.608 19 HB2 GLN 3 2HB GLN 3 -13.479 0.431 -5.992 20 HB3 GLN 3 1HB GLN 3 -12.446 -0.874 -6.560 21 HG2 GLN 3 2HG GLN 3 -10.869 0.638 -7.458 22 HG3 GLN 3 1HG GLN 3 -11.966 2.004 -7.264 23 HE21 GLN 3 1HE2 GLN 3 -9.617 0.005 -5.782 24 HE22 GLN 3 2HE2 GLN 3 -9.573 0.803 -4.251 25 H ILE 4 H ILE 4 -11.379 -0.022 -9.283 26 HA ILE 4 HA ILE 4 -11.992 -2.423 -10.827 27 HB ILE 4 HB ILE 4 -11.053 -0.495 -12.025 28 HG12 ILE 4 2HG1 ILE 4 -8.876 -2.553 -12.045 29 HG13 ILE 4 1HG1 ILE 4 -10.509 -3.026 -12.509 30 HG21 ILE 4 1HG2 ILE 4 -9.710 0.555 -10.382 31 HG22 ILE 4 2HG2 ILE 4 -8.616 0.023 -11.658 32 HG23 ILE 4 3HG2 ILE 4 -8.729 -0.894 -10.157 33 HD11 ILE 4 3HD1 ILE 4 -9.418 -2.494 -14.506 34 HD12 ILE 4 1HD1 ILE 4 -8.697 -1.036 -13.826 35 HD13 ILE 4 2HD1 ILE 4 -10.429 -1.093 -14.153 36 H LEU 5 H LEU 5 -10.025 -1.351 -8.174 37 HA LEU 5 HA LEU 5 -9.343 -4.036 -7.481 38 HB2 LEU 5 2HB LEU 5 -7.422 -2.388 -8.957 39 HB3 LEU 5 1HB LEU 5 -6.783 -3.043 -7.461 40 HG LEU 5 HG LEU 5 -8.194 -4.923 -9.281 41 HD11 LEU 5 1HD1 LEU 5 -5.696 -3.471 -9.945 42 HD12 LEU 5 2HD1 LEU 5 -6.945 -4.127 -11.005 43 HD13 LEU 5 3HD1 LEU 5 -5.752 -5.203 -10.277 44 HD21 LEU 5 3HD2 LEU 5 -5.751 -5.092 -7.524 45 HD22 LEU 5 1HD2 LEU 5 -6.411 -6.425 -8.472 46 HD23 LEU 5 2HD2 LEU 5 -7.357 -5.720 -7.161 47 H ARG 6 H ARG 6 -10.226 -3.621 -5.497 48 HA ARG 6 HA ARG 6 -9.955 -1.368 -3.928 49 HB2 ARG 6 2HB ARG 6 -10.600 -4.209 -3.427 50 HB3 ARG 6 1HB ARG 6 -10.078 -3.288 -2.024 51 HG2 ARG 6 2HG ARG 6 -11.869 -1.571 -3.050 52 HG3 ARG 6 1HG ARG 6 -12.558 -3.100 -3.601 53 HD2 ARG 6 2HD ARG 6 -12.386 -3.927 -1.245 54 HD3 ARG 6 1HD ARG 6 -11.917 -2.296 -0.769 55 HE ARG 6 HE ARG 6 -14.259 -1.957 -2.123 56 HH11 ARG 6 1HH1 ARG 6 -13.272 -3.877 0.619 57 HH12 ARG 6 2HH1 ARG 6 -14.835 -3.841 1.364 58 HH21 ARG 6 1HH2 ARG 6 -16.315 -1.908 -1.143 59 HH22 ARG 6 2HH2 ARG 6 -16.562 -2.725 0.364 60 H CYS 7 H CYS 7 -8.810 -1.432 -1.686 61 HA CYS 7 HA CYS 7 -6.028 -2.319 -2.066 62 HB2 CYS 7 2HB CYS 7 -7.069 0.333 -1.099 63 HB3 CYS 7 1HB CYS 7 -5.454 -0.223 -0.676 64 HA PRO 8 HA PRO 8 -7.860 -4.195 1.815 65 HB2 PRO 8 2HB PRO 8 -5.802 -6.193 1.028 66 HB3 PRO 8 1HB PRO 8 -7.462 -6.444 1.580 67 HG2 PRO 8 2HG PRO 8 -6.823 -6.752 -0.986 68 HG3 PRO 8 1HG PRO 8 -8.364 -6.013 -0.513 69 HD2 PRO 8 2HD PRO 8 -5.874 -4.719 -1.538 70 HD3 PRO 8 1HD PRO 8 -7.571 -4.313 -1.862 71 H ASP 9 H ASP 9 -6.382 -5.336 3.596 72 HA ASP 9 HA ASP 9 -4.763 -3.361 4.700 73 HB2 ASP 9 2HB ASP 9 -5.280 -6.231 5.269 74 HB3 ASP 9 1HB ASP 9 -3.836 -5.528 5.990 75 H GLY 10 H GLY 10 -2.916 -2.605 3.912 76 HA2 GLY 10 2HA GLY 10 -0.489 -3.451 3.831 77 HA3 GLY 10 1HA GLY 10 -1.098 -4.470 2.536 78 H MET 11 H MET 11 -2.926 -2.314 1.612 79 HA MET 11 HA MET 11 -0.943 -0.447 0.492 80 HB2 MET 11 2HB MET 11 -2.347 -0.571 -1.648 81 HB3 MET 11 1HB MET 11 -1.284 -1.928 -1.299 82 HG2 MET 11 2HG MET 11 -3.346 -3.004 -0.218 83 HG3 MET 11 1HG MET 11 -4.264 -1.772 -1.082 84 HE1 MET 11 3HE MET 11 -2.472 -5.518 -2.000 85 HE2 MET 11 1HE MET 11 -4.198 -5.559 -2.362 86 HE3 MET 11 2HE MET 11 -3.637 -4.932 -0.812 87 H GLN 12 H GLN 12 -1.580 1.647 0.299 88 HA GLN 12 HA GLN 12 -4.380 2.287 0.926 89 HB2 GLN 12 2HB GLN 12 -3.016 2.592 2.954 90 HB3 GLN 12 1HB GLN 12 -1.955 3.684 2.074 91 HG2 GLN 12 2HG GLN 12 -4.139 5.023 1.635 92 HG3 GLN 12 1HG GLN 12 -4.753 4.111 3.014 93 HE21 GLN 12 1HE2 GLN 12 -2.173 6.266 1.966 94 HE22 GLN 12 2HE2 GLN 12 -1.868 6.954 3.521 95 H MET 13 H MET 13 -5.248 4.019 -0.146 96 HA MET 13 HA MET 13 -3.883 4.864 -2.526 97 HB2 MET 13 2HB MET 13 -6.328 4.414 -2.449 98 HB3 MET 13 1HB MET 13 -6.525 5.815 -1.405 99 HG2 MET 13 2HG MET 13 -6.214 7.298 -3.095 100 HG3 MET 13 1HG MET 13 -5.149 6.221 -3.996 101 HE1 MET 13 3HE MET 13 -8.239 7.756 -3.378 102 HE2 MET 13 1HE MET 13 -9.413 6.444 -3.314 103 HE3 MET 13 2HE MET 13 -9.207 7.371 -4.800 104 H LEU 14 H LEU 14 -3.023 6.835 -3.005 105 HA LEU 14 HA LEU 14 -2.599 8.637 -0.735 106 HB2 LEU 14 2HB LEU 14 -1.210 8.676 -3.410 107 HB3 LEU 14 1HB LEU 14 -0.724 9.516 -1.951 108 HG LEU 14 HG LEU 14 -0.747 6.514 -2.271 109 HD11 LEU 14 1HD1 LEU 14 1.483 6.552 -2.780 110 HD12 LEU 14 2HD1 LEU 14 1.741 8.127 -2.030 111 HD13 LEU 14 3HD1 LEU 14 0.946 8.018 -3.599 112 HD21 LEU 14 3HD2 LEU 14 -0.846 6.706 -0.017 113 HD22 LEU 14 1HD2 LEU 14 -0.225 8.355 -0.018 114 HD23 LEU 14 2HD2 LEU 14 0.883 6.997 -0.207 115 H ARG 15 H ARG 15 -2.278 11.027 -1.522 116 HA ARG 15 HA ARG 15 -4.790 12.014 -2.248 117 HB2 ARG 15 2HB ARG 15 -2.077 13.342 -2.339 118 HB3 ARG 15 1HB ARG 15 -3.599 14.197 -2.556 119 HG2 ARG 15 2HG ARG 15 -4.086 14.162 -0.361 120 HG3 ARG 15 1HG ARG 15 -3.408 12.551 -0.125 121 HD2 ARG 15 2HD ARG 15 -1.740 15.024 -0.543 122 HD3 ARG 15 1HD ARG 15 -2.186 14.404 1.047 123 HE ARG 15 HE ARG 15 -0.961 12.392 -0.546 124 HH11 ARG 15 1HH1 ARG 15 -0.257 15.209 1.391 125 HH12 ARG 15 2HH1 ARG 15 1.347 14.691 1.787 126 HH21 ARG 15 1HH2 ARG 15 1.149 11.709 -0.025 127 HH22 ARG 15 2HH2 ARG 15 2.146 12.703 0.982 128 H SER 16 H SER 16 -2.017 11.149 -4.185 129 HA SER 16 HA SER 16 -2.849 12.459 -6.572 130 HB2 SER 16 2HB SER 16 -0.759 10.488 -5.817 131 HB3 SER 16 1HB SER 16 -1.242 10.515 -7.514 132 HG SER 16 HG SER 16 -0.846 12.828 -7.422 133 H GLY 17 H GLY 17 -3.409 9.278 -5.186 134 HA2 GLY 17 2HA GLY 17 -5.686 8.415 -5.884 135 HA3 GLY 17 1HA GLY 17 -5.086 8.610 -7.524 136 H GLN 18 H GLN 18 -2.390 7.702 -6.829 137 HA GLN 18 HA GLN 18 -2.715 4.956 -7.358 138 HB2 GLN 18 2HB GLN 18 -0.402 6.710 -6.654 139 HB3 GLN 18 1HB GLN 18 -0.186 4.965 -6.606 140 HG2 GLN 18 2HG GLN 18 0.261 5.061 -8.769 141 HG3 GLN 18 1HG GLN 18 -1.444 5.425 -9.029 142 HE21 GLN 18 1HE2 GLN 18 1.652 6.964 -8.294 143 HE22 GLN 18 2HE2 GLN 18 1.336 8.422 -9.165 144 H CYS 19 H CYS 19 -1.840 3.173 -6.028 145 HA CYS 19 HA CYS 19 -2.414 3.610 -3.171 146 HB2 CYS 19 2HB CYS 19 -3.924 2.077 -4.731 147 HB3 CYS 19 1HB CYS 19 -2.669 0.894 -4.379 148 H VAL 20 H VAL 20 -0.479 3.752 -2.204 149 HA VAL 20 HA VAL 20 1.647 1.891 -2.986 150 HB VAL 20 HB VAL 20 2.248 4.271 -2.905 151 HG11 VAL 20 1HG1 VAL 20 0.752 5.084 -1.220 152 HG12 VAL 20 2HG1 VAL 20 2.406 5.390 -0.686 153 HG13 VAL 20 3HG1 VAL 20 1.490 4.049 0.002 154 HG21 VAL 20 3HG2 VAL 20 3.909 2.488 -2.392 155 HG22 VAL 20 1HG2 VAL 20 3.593 2.750 -0.677 156 HG23 VAL 20 2HG2 VAL 20 4.283 4.046 -1.656 157 H ALA 21 H ALA 21 2.905 0.833 -1.306 158 HA ALA 21 HA ALA 21 1.254 -0.478 0.594 159 HB1 ALA 21 1HB ALA 21 2.992 -1.789 -0.223 160 HB2 ALA 21 2HB ALA 21 3.533 -1.371 1.404 161 HB3 ALA 21 3HB ALA 21 4.192 -0.516 0.010 162 H THR 22 H THR 22 0.983 -0.164 2.743 163 HA THR 22 HA THR 22 1.989 2.330 3.851 164 HB THR 22 HB THR 22 0.456 1.407 5.826 165 HG1 THR 22 1HG THR 22 -0.758 0.221 3.567 166 HG21 THR 22 3HG2 THR 22 -1.568 2.248 4.304 167 HG22 THR 22 1HG2 THR 22 -0.216 2.879 3.364 168 HG23 THR 22 2HG2 THR 22 -0.403 3.340 5.056 169 H THR 23 H THR 23 4.055 0.591 3.534 170 HA THR 23 HA THR 23 4.981 0.299 6.236 171 HB THR 23 HB THR 23 3.746 -1.811 5.950 172 HG1 THR 23 1HG THR 23 5.507 -3.186 6.454 173 HG21 THR 23 3HG2 THR 23 5.297 -3.368 4.308 174 HG22 THR 23 1HG2 THR 23 5.115 -1.870 3.394 175 HG23 THR 23 2HG2 THR 23 3.686 -2.749 3.942 176 H GLU 24 H GLU 24 5.858 1.917 4.184 177 HA GLU 24 HA GLU 24 8.099 0.694 2.850 178 HB2 GLU 24 2HB GLU 24 6.675 3.231 2.730 179 HB3 GLU 24 1HB GLU 24 8.418 3.446 2.642 180 HG2 GLU 24 2HG GLU 24 8.600 2.234 0.676 181 HG3 GLU 24 1HG GLU 24 7.052 1.426 0.916 182 HA PRO 25 HA PRO 25 10.489 3.629 5.977 183 HB2 PRO 25 2HB PRO 25 8.509 3.675 8.181 184 HB3 PRO 25 1HB PRO 25 9.547 4.965 7.572 185 HG2 PRO 25 2HG PRO 25 6.920 4.943 7.065 186 HG3 PRO 25 1HG PRO 25 8.091 5.518 5.864 187 HD2 PRO 25 2HD PRO 25 6.618 2.921 5.990 188 HD3 PRO 25 1HD PRO 25 7.047 3.909 4.580 189 HA PRO 26 HA PRO 26 10.242 0.163 9.252 190 HB2 PRO 26 2HB PRO 26 8.055 -1.347 9.524 191 HB3 PRO 26 1HB PRO 26 8.133 0.280 10.213 192 HG2 PRO 26 2HG PRO 26 6.799 -0.658 7.707 193 HG3 PRO 26 1HG PRO 26 6.223 0.505 8.914 194 HD2 PRO 26 2HD PRO 26 7.408 1.180 6.509 195 HD3 PRO 26 1HD PRO 26 7.330 2.237 7.930 196 H PHE 27 H PHE 27 9.679 -2.454 9.277 197 HA PHE 27 HA PHE 27 10.229 -4.449 8.338 198 HB2 PHE 27 2HB PHE 27 8.195 -4.070 7.040 199 HB3 PHE 27 1HB PHE 27 9.103 -3.132 5.860 200 HD1 PHE 27 2HD PHE 27 8.963 -6.518 7.396 201 HD2 PHE 27 1HD PHE 27 9.950 -4.177 3.981 202 HE1 PHE 27 2HE PHE 27 9.410 -8.575 6.120 203 HE2 PHE 27 1HE PHE 27 10.398 -6.230 2.699 204 HZ PHE 27 HZ PHE 27 10.130 -8.432 3.769 205 H ASP 28 H ASP 28 12.351 -4.807 8.315 206 HA ASP 28 HA ASP 28 13.943 -3.590 6.153 207 HB2 ASP 28 2HB ASP 28 14.390 -3.706 9.022 208 HB3 ASP 28 1HB ASP 28 15.740 -4.397 8.128 209 HA PRO 29 HA PRO 29 15.473 -7.418 4.600 210 HB2 PRO 29 2HB PRO 29 18.143 -6.967 5.847 211 HB3 PRO 29 1HB PRO 29 17.733 -7.338 4.169 212 HG2 PRO 29 2HG PRO 29 18.437 -4.872 4.877 213 HG3 PRO 29 1HG PRO 29 17.150 -5.145 3.687 214 HD2 PRO 29 2HD PRO 29 16.944 -4.336 6.553 215 HD3 PRO 29 1HD PRO 29 15.948 -3.848 5.167 216 H ASP 30 H ASP 30 16.935 -9.428 5.328 217 HA ASP 30 HA ASP 30 16.072 -10.104 8.055 218 HB2 ASP 30 2HB ASP 30 16.445 -12.537 6.993 219 HB3 ASP 30 1HB ASP 30 14.912 -11.678 6.881 220 H SER 31 H SER 31 18.350 -11.719 5.880 221 HA SER 31 HA SER 31 20.529 -12.320 6.117 222 HB2 SER 31 2HB SER 31 20.375 -9.726 7.539 223 HB3 SER 31 1HB SER 31 21.776 -10.729 7.913 224 HG SER 31 HG SER 31 22.465 -9.709 6.164 225 H TYR 32 H TYR 32 20.107 -11.126 9.420 226 HA TYR 32 HA TYR 32 21.220 -13.420 10.604 227 HB2 TYR 32 2HB TYR 32 20.995 -11.076 11.601 228 HB3 TYR 32 1HB TYR 32 19.339 -11.521 12.000 229 HD1 TYR 32 2HD TYR 32 22.471 -13.538 12.179 230 HD2 TYR 32 1HD TYR 32 19.278 -11.709 14.316 231 HE1 TYR 32 2HE TYR 32 23.262 -14.595 14.254 232 HE2 TYR 32 1HE TYR 32 20.061 -12.760 16.396 233 HH TYR 32 HH TYR 32 21.394 -14.603 17.141 Start of MODEL 15 1 H1 SER 1 1HT SER 1 -17.187 -6.018 -4.160 2 H2 SER 1 2HT SER 1 -17.189 -7.211 -5.393 3 H3 SER 1 3HT SER 1 -18.664 -6.734 -4.653 4 HA SER 1 HA SER 1 -18.681 -5.661 -6.652 5 HB2 SER 1 2HB SER 1 -18.746 -4.297 -4.333 6 HB3 SER 1 1HB SER 1 -17.392 -3.472 -5.105 7 HG SER 1 HG SER 1 -19.912 -3.011 -5.514 8 H VAL 2 H VAL 2 -17.665 -4.887 -8.459 9 HA VAL 2 HA VAL 2 -14.886 -5.480 -8.745 10 HB VAL 2 HB VAL 2 -16.455 -5.814 -10.598 11 HG11 VAL 2 1HG1 VAL 2 -17.738 -4.199 -11.549 12 HG12 VAL 2 2HG1 VAL 2 -16.575 -2.916 -11.206 13 HG13 VAL 2 3HG1 VAL 2 -17.623 -3.522 -9.923 14 HG21 VAL 2 3HG2 VAL 2 -14.527 -3.674 -11.445 15 HG22 VAL 2 1HG2 VAL 2 -15.027 -5.122 -12.319 16 HG23 VAL 2 2HG2 VAL 2 -13.975 -5.262 -10.911 17 H GLN 3 H GLN 3 -14.464 -3.882 -6.867 18 HA GLN 3 HA GLN 3 -14.438 -1.092 -7.508 19 HB2 GLN 3 2HB GLN 3 -13.051 -0.919 -5.416 20 HB3 GLN 3 1HB GLN 3 -14.624 -1.675 -5.204 21 HG2 GLN 3 2HG GLN 3 -13.712 -3.539 -4.436 22 HG3 GLN 3 1HG GLN 3 -12.611 -3.643 -5.809 23 HE21 GLN 3 1HE2 GLN 3 -10.564 -3.665 -5.260 24 HE22 GLN 3 2HE2 GLN 3 -9.860 -2.883 -3.889 25 H ILE 4 H ILE 4 -13.142 -0.343 -9.058 26 HA ILE 4 HA ILE 4 -10.391 -1.380 -9.204 27 HB ILE 4 HB ILE 4 -10.633 -0.108 -11.559 28 HG12 ILE 4 2HG1 ILE 4 -12.861 -0.745 -12.523 29 HG13 ILE 4 1HG1 ILE 4 -13.406 -1.110 -10.889 30 HG21 ILE 4 1HG2 ILE 4 -11.524 -2.521 -12.319 31 HG22 ILE 4 2HG2 ILE 4 -11.025 -2.889 -10.668 32 HG23 ILE 4 3HG2 ILE 4 -9.864 -2.212 -11.810 33 HD11 ILE 4 3HD1 ILE 4 -12.308 1.488 -10.845 34 HD12 ILE 4 1HD1 ILE 4 -13.990 1.002 -10.638 35 HD13 ILE 4 2HD1 ILE 4 -13.373 1.381 -12.246 36 H LEU 5 H LEU 5 -11.273 0.679 -7.384 37 HA LEU 5 HA LEU 5 -9.478 2.809 -8.269 38 HB2 LEU 5 2HB LEU 5 -12.085 3.456 -6.919 39 HB3 LEU 5 1HB LEU 5 -10.958 4.562 -7.683 40 HG LEU 5 HG LEU 5 -11.607 3.037 -9.811 41 HD11 LEU 5 1HD1 LEU 5 -13.180 1.626 -8.739 42 HD12 LEU 5 2HD1 LEU 5 -14.107 2.770 -9.709 43 HD13 LEU 5 3HD1 LEU 5 -13.980 2.991 -7.964 44 HD21 LEU 5 3HD2 LEU 5 -12.563 4.928 -10.605 45 HD22 LEU 5 1HD2 LEU 5 -11.866 5.616 -9.138 46 HD23 LEU 5 2HD2 LEU 5 -13.569 5.154 -9.173 47 H ARG 6 H ARG 6 -11.405 1.515 -5.595 48 HA ARG 6 HA ARG 6 -9.990 2.802 -3.528 49 HB2 ARG 6 2HB ARG 6 -11.902 0.536 -3.716 50 HB3 ARG 6 1HB ARG 6 -10.926 0.633 -2.257 51 HG2 ARG 6 2HG ARG 6 -12.105 3.188 -2.995 52 HG3 ARG 6 1HG ARG 6 -13.307 1.928 -2.708 53 HD2 ARG 6 2HD ARG 6 -11.638 1.520 -0.618 54 HD3 ARG 6 1HD ARG 6 -11.470 3.261 -0.833 55 HE ARG 6 HE ARG 6 -13.776 1.847 0.138 56 HH11 ARG 6 1HH1 ARG 6 -12.653 4.772 -1.397 57 HH12 ARG 6 2HH1 ARG 6 -14.010 5.714 -0.879 58 HH21 ARG 6 1HH2 ARG 6 -15.563 3.084 0.820 59 HH22 ARG 6 2HH2 ARG 6 -15.661 4.756 0.381 60 H CYS 7 H CYS 7 -8.465 1.946 -2.039 61 HA CYS 7 HA CYS 7 -6.838 -0.257 -3.126 62 HB2 CYS 7 2HB CYS 7 -5.834 2.153 -1.598 63 HB3 CYS 7 1HB CYS 7 -4.848 0.862 -2.278 64 HA PRO 8 HA PRO 8 -8.457 -1.584 1.022 65 HB2 PRO 8 2HB PRO 8 -7.820 -4.188 -0.259 66 HB3 PRO 8 1HB PRO 8 -9.266 -3.694 0.629 67 HG2 PRO 8 2HG PRO 8 -9.310 -3.936 -2.025 68 HG3 PRO 8 1HG PRO 8 -10.193 -2.631 -1.211 69 HD2 PRO 8 2HD PRO 8 -7.601 -2.528 -2.698 70 HD3 PRO 8 1HD PRO 8 -8.924 -1.345 -2.653 71 H ASP 9 H ASP 9 -7.340 -3.894 2.045 72 HA ASP 9 HA ASP 9 -4.951 -3.019 3.150 73 HB2 ASP 9 2HB ASP 9 -4.658 -5.324 3.956 74 HB3 ASP 9 1HB ASP 9 -6.322 -4.783 4.157 75 H GLY 10 H GLY 10 -2.911 -2.947 2.467 76 HA2 GLY 10 2HA GLY 10 -1.054 -4.177 1.416 77 HA3 GLY 10 1HA GLY 10 -2.174 -4.596 0.127 78 H MET 11 H MET 11 -3.331 -1.851 0.172 79 HA MET 11 HA MET 11 -1.075 -0.323 -0.925 80 HB2 MET 11 2HB MET 11 -3.736 -0.803 -2.270 81 HB3 MET 11 1HB MET 11 -2.587 0.424 -2.786 82 HG2 MET 11 2HG MET 11 -0.942 -1.622 -2.864 83 HG3 MET 11 1HG MET 11 -2.442 -2.533 -3.020 84 HE1 MET 11 3HE MET 11 -2.589 -2.695 -6.671 85 HE2 MET 11 1HE MET 11 -3.068 -3.310 -5.089 86 HE3 MET 11 2HE MET 11 -1.374 -3.363 -5.580 87 H GLN 12 H GLN 12 -0.957 1.317 0.484 88 HA GLN 12 HA GLN 12 -3.403 2.556 1.484 89 HB2 GLN 12 2HB GLN 12 -0.611 2.378 2.378 90 HB3 GLN 12 1HB GLN 12 -1.333 3.965 2.605 91 HG2 GLN 12 2HG GLN 12 -1.575 2.560 4.583 92 HG3 GLN 12 1HG GLN 12 -3.139 2.993 3.891 93 HE21 GLN 12 1HE2 GLN 12 -2.080 0.689 5.562 94 HE22 GLN 12 2HE2 GLN 12 -2.666 -0.717 4.747 95 H MET 13 H MET 13 -4.219 4.354 0.648 96 HA MET 13 HA MET 13 -3.060 5.632 -1.594 97 HB2 MET 13 2HB MET 13 -5.411 6.228 0.174 98 HB3 MET 13 1HB MET 13 -4.903 7.385 -1.048 99 HG2 MET 13 2HG MET 13 -5.219 5.727 -2.787 100 HG3 MET 13 1HG MET 13 -5.657 4.520 -1.579 101 HE1 MET 13 3HE MET 13 -7.737 8.400 -2.417 102 HE2 MET 13 1HE MET 13 -7.717 7.421 -3.885 103 HE3 MET 13 2HE MET 13 -6.206 7.809 -3.062 104 H LEU 14 H LEU 14 -2.459 7.891 -1.771 105 HA LEU 14 HA LEU 14 -1.276 8.958 0.708 106 HB2 LEU 14 2HB LEU 14 -0.090 9.447 -2.002 107 HB3 LEU 14 1HB LEU 14 0.662 9.620 -0.429 108 HG LEU 14 HG LEU 14 -0.151 6.935 -1.520 109 HD11 LEU 14 1HD1 LEU 14 1.647 8.489 -2.804 110 HD12 LEU 14 2HD1 LEU 14 1.725 6.729 -2.742 111 HD13 LEU 14 3HD1 LEU 14 2.688 7.694 -1.623 112 HD21 LEU 14 3HD2 LEU 14 1.542 7.923 0.745 113 HD22 LEU 14 1HD2 LEU 14 1.798 6.320 0.055 114 HD23 LEU 14 2HD2 LEU 14 0.237 6.736 0.761 115 H ARG 15 H ARG 15 -0.545 11.383 0.156 116 HA ARG 15 HA ARG 15 -2.908 12.875 -0.020 117 HB2 ARG 15 2HB ARG 15 -0.526 13.460 0.937 118 HB3 ARG 15 1HB ARG 15 -0.268 14.122 -0.671 119 HG2 ARG 15 2HG ARG 15 -1.032 15.974 0.414 120 HG3 ARG 15 1HG ARG 15 -2.555 15.322 -0.191 121 HD2 ARG 15 2HD ARG 15 -1.583 14.440 2.481 122 HD3 ARG 15 1HD ARG 15 -2.273 16.054 2.327 123 HE ARG 15 HE ARG 15 -4.043 14.307 1.105 124 HH11 ARG 15 1HH1 ARG 15 -2.740 14.833 4.299 125 HH12 ARG 15 2HH1 ARG 15 -4.148 14.231 5.109 126 HH21 ARG 15 1HH2 ARG 15 -5.895 13.514 2.166 127 HH22 ARG 15 2HH2 ARG 15 -5.939 13.481 3.898 128 H SER 16 H SER 16 -0.585 11.913 -2.451 129 HA SER 16 HA SER 16 -1.464 13.689 -4.487 130 HB2 SER 16 2HB SER 16 -0.302 11.090 -5.300 131 HB3 SER 16 1HB SER 16 0.147 12.726 -5.778 132 HG SER 16 HG SER 16 1.267 11.153 -3.924 133 H GLY 17 H GLY 17 -2.473 10.512 -3.417 134 HA2 GLY 17 2HA GLY 17 -4.910 10.120 -3.885 135 HA3 GLY 17 1HA GLY 17 -4.517 10.501 -5.554 136 H GLN 18 H GLN 18 -1.964 9.082 -5.474 137 HA GLN 18 HA GLN 18 -2.962 6.471 -6.129 138 HB2 GLN 18 2HB GLN 18 -0.163 7.609 -6.074 139 HB3 GLN 18 1HB GLN 18 -0.550 5.984 -6.624 140 HG2 GLN 18 2HG GLN 18 -1.312 6.698 -8.602 141 HG3 GLN 18 1HG GLN 18 -2.125 8.096 -7.898 142 HE21 GLN 18 1HE2 GLN 18 -0.419 7.814 -10.295 143 HE22 GLN 18 2HE2 GLN 18 0.844 8.975 -10.100 144 H CYS 19 H CYS 19 -2.203 4.477 -5.220 145 HA CYS 19 HA CYS 19 -1.472 4.731 -2.377 146 HB2 CYS 19 2HB CYS 19 -2.580 2.435 -2.183 147 HB3 CYS 19 1HB CYS 19 -3.646 3.813 -2.442 148 H VAL 20 H VAL 20 0.331 3.765 -1.684 149 HA VAL 20 HA VAL 20 1.851 2.169 -3.617 150 HB VAL 20 HB VAL 20 2.826 3.367 -1.021 151 HG11 VAL 20 1HG1 VAL 20 4.226 2.084 -3.355 152 HG12 VAL 20 2HG1 VAL 20 4.241 1.577 -1.666 153 HG13 VAL 20 3HG1 VAL 20 5.058 3.063 -2.149 154 HG21 VAL 20 3HG2 VAL 20 2.027 4.808 -3.191 155 HG22 VAL 20 1HG2 VAL 20 3.737 4.554 -3.541 156 HG23 VAL 20 2HG2 VAL 20 3.250 5.326 -2.031 157 H ALA 21 H ALA 21 3.027 0.281 -2.861 158 HA ALA 21 HA ALA 21 1.378 -1.523 -1.456 159 HB1 ALA 21 1HB ALA 21 3.425 -1.823 -3.171 160 HB2 ALA 21 2HB ALA 21 2.839 -3.113 -2.120 161 HB3 ALA 21 3HB ALA 21 4.251 -2.165 -1.650 162 H THR 22 H THR 22 0.927 -1.200 0.641 163 HA THR 22 HA THR 22 2.999 -0.301 2.473 164 HB THR 22 HB THR 22 0.767 0.707 2.619 165 HG1 THR 22 1HG THR 22 0.544 0.476 4.843 166 HG21 THR 22 3HG2 THR 22 -0.742 -1.193 3.974 167 HG22 THR 22 1HG2 THR 22 -0.127 -2.023 2.546 168 HG23 THR 22 2HG2 THR 22 -1.048 -0.529 2.371 169 H THR 23 H THR 23 3.411 -2.880 1.367 170 HA THR 23 HA THR 23 3.732 -4.381 3.792 171 HB THR 23 HB THR 23 2.163 -5.763 1.631 172 HG1 THR 23 1HG THR 23 1.075 -4.428 3.884 173 HG21 THR 23 3HG2 THR 23 3.346 -6.726 3.903 174 HG22 THR 23 1HG2 THR 23 2.028 -7.494 3.016 175 HG23 THR 23 2HG2 THR 23 1.675 -6.467 4.406 176 H GLU 24 H GLU 24 5.880 -3.771 2.851 177 HA GLU 24 HA GLU 24 6.716 -5.506 0.651 178 HB2 GLU 24 2HB GLU 24 7.719 -2.963 1.808 179 HB3 GLU 24 1HB GLU 24 8.915 -4.058 1.130 180 HG2 GLU 24 2HG GLU 24 8.251 -3.692 -0.987 181 HG3 GLU 24 1HG GLU 24 6.550 -3.559 -0.547 182 HA PRO 25 HA PRO 25 8.130 -8.306 3.936 183 HB2 PRO 25 2HB PRO 25 9.254 -9.646 1.531 184 HB3 PRO 25 1HB PRO 25 8.302 -10.321 2.855 185 HG2 PRO 25 2HG PRO 25 7.208 -9.886 0.460 186 HG3 PRO 25 1HG PRO 25 6.293 -9.615 1.953 187 HD2 PRO 25 2HD PRO 25 7.536 -7.633 0.104 188 HD3 PRO 25 1HD PRO 25 6.039 -7.516 1.048 189 HA PRO 26 HA PRO 26 12.705 -7.811 2.584 190 HB2 PRO 26 2HB PRO 26 13.322 -6.488 0.328 191 HB3 PRO 26 1HB PRO 26 12.873 -8.198 0.311 192 HG2 PRO 26 2HG PRO 26 11.215 -5.798 -0.350 193 HG3 PRO 26 1HG PRO 26 11.302 -7.362 -1.179 194 HD2 PRO 26 2HD PRO 26 9.322 -6.673 0.585 195 HD3 PRO 26 1HD PRO 26 9.822 -8.344 0.264 196 H PHE 27 H PHE 27 14.073 -6.274 3.393 197 HA PHE 27 HA PHE 27 13.862 -3.504 3.002 198 HB2 PHE 27 2HB PHE 27 11.794 -4.221 4.527 199 HB3 PHE 27 1HB PHE 27 13.009 -4.093 5.794 200 HD1 PHE 27 1HD PHE 27 11.890 -2.147 2.808 201 HD2 PHE 27 2HD PHE 27 13.136 -2.084 6.877 202 HE1 PHE 27 1HE PHE 27 11.564 0.291 2.866 203 HE2 PHE 27 2HE PHE 27 12.811 0.353 6.943 204 HZ PHE 27 HZ PHE 27 12.024 1.544 4.936 205 H ASP 28 H ASP 28 15.028 -2.331 4.990 206 HA ASP 28 HA ASP 28 17.334 -4.019 5.708 207 HB2 ASP 28 2HB ASP 28 17.173 -1.340 4.490 208 HB3 ASP 28 1HB ASP 28 18.336 -1.483 5.804 209 HA PRO 29 HA PRO 29 15.291 -2.294 9.567 210 HB2 PRO 29 2HB PRO 29 14.895 -4.665 10.813 211 HB3 PRO 29 1HB PRO 29 13.723 -3.977 9.683 212 HG2 PRO 29 2HG PRO 29 15.786 -6.095 9.216 213 HG3 PRO 29 1HG PRO 29 14.097 -6.041 8.679 214 HD2 PRO 29 2HD PRO 29 16.175 -5.409 7.053 215 HD3 PRO 29 1HD PRO 29 14.575 -4.654 6.903 216 H ASP 30 H ASP 30 15.906 -3.363 11.938 217 HA ASP 30 HA ASP 30 18.838 -3.599 11.918 218 HB2 ASP 30 2HB ASP 30 18.807 -2.429 14.120 219 HB3 ASP 30 1HB ASP 30 18.230 -1.430 12.790 220 H SER 31 H SER 31 16.852 -5.737 11.885 221 HA SER 31 HA SER 31 16.721 -6.847 14.528 222 HB2 SER 31 2HB SER 31 15.246 -7.246 12.298 223 HB3 SER 31 1HB SER 31 16.332 -8.632 12.193 224 HG SER 31 HG SER 31 14.400 -9.046 13.404 225 H TYR 32 H TYR 32 17.330 -9.478 14.263 226 HA TYR 32 HA TYR 32 20.192 -9.435 14.448 227 HB2 TYR 32 2HB TYR 32 18.280 -10.914 15.667 228 HB3 TYR 32 1HB TYR 32 18.799 -12.045 14.422 229 HD1 TYR 32 2HD TYR 32 20.226 -9.798 17.043 230 HD2 TYR 32 1HD TYR 32 20.600 -13.432 14.863 231 HE1 TYR 32 2HE TYR 32 22.158 -10.423 18.429 232 HE2 TYR 32 1HE TYR 32 22.533 -14.068 16.244 233 HH TYR 32 HH TYR 32 24.099 -11.866 18.341 Start of MODEL 16 1 H1 SER 1 1HT SER 1 -23.129 -2.169 -5.019 2 H2 SER 1 2HT SER 1 -22.137 -3.001 -6.146 3 H3 SER 1 3HT SER 1 -21.942 -1.312 -5.912 4 HA SER 1 HA SER 1 -21.041 -1.570 -3.834 5 HB2 SER 1 2HB SER 1 -20.967 -3.922 -2.820 6 HB3 SER 1 1HB SER 1 -22.542 -3.127 -2.852 7 HG SER 1 HG SER 1 -21.681 -4.880 -4.899 8 H VAL 2 H VAL 2 -20.089 -1.705 -6.535 9 HA VAL 2 HA VAL 2 -18.047 -3.763 -6.590 10 HB VAL 2 HB VAL 2 -18.405 -1.467 -8.517 11 HG11 VAL 2 1HG1 VAL 2 -16.861 -2.453 -9.848 12 HG12 VAL 2 2HG1 VAL 2 -17.304 -4.082 -9.343 13 HG13 VAL 2 3HG1 VAL 2 -16.284 -3.086 -8.306 14 HG21 VAL 2 3HG2 VAL 2 -20.417 -2.472 -8.853 15 HG22 VAL 2 1HG2 VAL 2 -19.869 -4.028 -8.230 16 HG23 VAL 2 2HG2 VAL 2 -19.428 -3.528 -9.862 17 H GLN 3 H GLN 3 -16.059 -3.535 -5.810 18 HA GLN 3 HA GLN 3 -15.222 -1.123 -4.553 19 HB2 GLN 3 2HB GLN 3 -14.534 -3.306 -3.704 20 HB3 GLN 3 1HB GLN 3 -13.673 -3.638 -5.200 21 HG2 GLN 3 2HG GLN 3 -11.961 -2.193 -4.696 22 HG3 GLN 3 1HG GLN 3 -12.956 -1.225 -3.610 23 HE21 GLN 3 1HE2 GLN 3 -12.008 -4.640 -3.860 24 HE22 GLN 3 2HE2 GLN 3 -11.511 -4.798 -2.212 25 H ILE 4 H ILE 4 -14.123 0.543 -5.350 26 HA ILE 4 HA ILE 4 -12.975 0.284 -8.048 27 HB ILE 4 HB ILE 4 -14.805 1.914 -7.879 28 HG12 ILE 4 2HG1 ILE 4 -12.309 3.544 -8.196 29 HG13 ILE 4 1HG1 ILE 4 -12.622 2.209 -9.301 30 HG21 ILE 4 1HG2 ILE 4 -13.021 3.236 -5.844 31 HG22 ILE 4 2HG2 ILE 4 -14.643 2.588 -5.592 32 HG23 ILE 4 3HG2 ILE 4 -14.410 4.018 -6.597 33 HD11 ILE 4 3HD1 ILE 4 -13.380 4.603 -9.920 34 HD12 ILE 4 1HD1 ILE 4 -14.724 4.270 -8.830 35 HD13 ILE 4 2HD1 ILE 4 -14.455 3.240 -10.235 36 H LEU 5 H LEU 5 -12.291 1.052 -4.744 37 HA LEU 5 HA LEU 5 -9.953 2.564 -5.044 38 HB2 LEU 5 2HB LEU 5 -11.404 1.764 -2.931 39 HB3 LEU 5 1HB LEU 5 -10.079 0.623 -2.811 40 HG LEU 5 HG LEU 5 -9.585 2.495 -1.404 41 HD11 LEU 5 1HD1 LEU 5 -7.876 3.125 -3.754 42 HD12 LEU 5 2HD1 LEU 5 -7.835 1.489 -3.096 43 HD13 LEU 5 3HD1 LEU 5 -7.431 2.864 -2.067 44 HD21 LEU 5 3HD2 LEU 5 -9.679 4.737 -2.034 45 HD22 LEU 5 1HD2 LEU 5 -11.121 4.036 -2.770 46 HD23 LEU 5 2HD2 LEU 5 -9.694 4.352 -3.755 47 H ARG 6 H ARG 6 -10.418 -0.936 -4.801 48 HA ARG 6 HA ARG 6 -9.067 -2.702 -5.279 49 HB2 ARG 6 2HB ARG 6 -9.182 -1.757 -7.528 50 HB3 ARG 6 1HB ARG 6 -7.830 -0.693 -7.166 51 HG2 ARG 6 2HG ARG 6 -6.505 -2.254 -8.014 52 HG3 ARG 6 1HG ARG 6 -6.873 -3.232 -6.593 53 HD2 ARG 6 2HD ARG 6 -7.310 -4.578 -8.504 54 HD3 ARG 6 1HD ARG 6 -8.870 -4.106 -7.831 55 HE ARG 6 HE ARG 6 -8.336 -2.212 -9.724 56 HH11 ARG 6 1HH1 ARG 6 -8.566 -5.693 -9.726 57 HH12 ARG 6 2HH1 ARG 6 -9.109 -5.782 -11.367 58 HH21 ARG 6 1HH2 ARG 6 -9.050 -2.326 -11.883 59 HH22 ARG 6 2HH2 ARG 6 -9.383 -3.870 -12.592 60 H CYS 7 H CYS 7 -8.349 -1.763 -2.951 61 HA CYS 7 HA CYS 7 -5.471 -2.123 -2.918 62 HB2 CYS 7 2HB CYS 7 -6.794 0.356 -1.807 63 HB3 CYS 7 1HB CYS 7 -5.154 -0.141 -1.409 64 HA PRO 8 HA PRO 8 -7.711 -4.542 0.343 65 HB2 PRO 8 2HB PRO 8 -5.089 -5.941 0.114 66 HB3 PRO 8 1HB PRO 8 -6.719 -6.616 0.217 67 HG2 PRO 8 2HG PRO 8 -5.416 -6.569 -2.103 68 HG3 PRO 8 1HG PRO 8 -7.157 -6.244 -2.030 69 HD2 PRO 8 2HD PRO 8 -4.884 -4.342 -2.387 70 HD3 PRO 8 1HD PRO 8 -6.512 -4.304 -3.094 71 H ASP 9 H ASP 9 -6.652 -5.387 2.490 72 HA ASP 9 HA ASP 9 -5.791 -3.159 3.947 73 HB2 ASP 9 2HB ASP 9 -6.812 -5.512 4.669 74 HB3 ASP 9 1HB ASP 9 -5.114 -5.883 4.948 75 H GLY 10 H GLY 10 -3.899 -2.157 3.873 76 HA2 GLY 10 2HA GLY 10 -1.498 -2.521 4.521 77 HA3 GLY 10 1HA GLY 10 -1.490 -3.764 3.278 78 H MET 11 H MET 11 -3.202 -2.101 1.510 79 HA MET 11 HA MET 11 -1.116 -0.218 0.623 80 HB2 MET 11 2HB MET 11 -2.237 -0.524 -1.656 81 HB3 MET 11 1HB MET 11 -1.283 -1.869 -1.042 82 HG2 MET 11 2HG MET 11 -4.204 -1.810 -0.485 83 HG3 MET 11 1HG MET 11 -3.650 -2.246 -2.101 84 HE1 MET 11 3HE MET 11 -1.077 -4.859 -1.405 85 HE2 MET 11 1HE MET 11 -1.806 -3.693 -2.509 86 HE3 MET 11 2HE MET 11 -2.513 -5.298 -2.327 87 H GLN 12 H GLN 12 -1.618 1.874 0.432 88 HA GLN 12 HA GLN 12 -4.464 2.633 0.505 89 HB2 GLN 12 2HB GLN 12 -2.820 3.025 2.595 90 HB3 GLN 12 1HB GLN 12 -2.478 4.492 1.688 91 HG2 GLN 12 2HG GLN 12 -5.316 3.752 2.136 92 HG3 GLN 12 1HG GLN 12 -4.389 4.386 3.495 93 HE21 GLN 12 1HE2 GLN 12 -6.473 5.266 1.209 94 HE22 GLN 12 2HE2 GLN 12 -5.997 6.907 0.951 95 H MET 13 H MET 13 -5.086 4.382 -0.736 96 HA MET 13 HA MET 13 -3.338 5.008 -2.948 97 HB2 MET 13 2HB MET 13 -6.006 4.680 -2.799 98 HB3 MET 13 1HB MET 13 -5.924 6.430 -2.643 99 HG2 MET 13 2HG MET 13 -5.028 6.707 -4.758 100 HG3 MET 13 1HG MET 13 -4.451 5.044 -4.841 101 HE1 MET 13 3HE MET 13 -8.272 7.031 -5.625 102 HE2 MET 13 1HE MET 13 -7.355 6.754 -7.107 103 HE3 MET 13 2HE MET 13 -6.592 7.557 -5.735 104 H LEU 14 H LEU 14 -2.607 7.061 -3.536 105 HA LEU 14 HA LEU 14 -2.479 8.976 -1.307 106 HB2 LEU 14 2HB LEU 14 -0.522 9.889 -2.762 107 HB3 LEU 14 1HB LEU 14 -0.284 8.468 -1.762 108 HG LEU 14 HG LEU 14 -1.125 8.044 -4.585 109 HD11 LEU 14 1HD1 LEU 14 0.949 8.444 -5.526 110 HD12 LEU 14 2HD1 LEU 14 1.772 8.450 -3.966 111 HD13 LEU 14 3HD1 LEU 14 0.758 9.815 -4.434 112 HD21 LEU 14 3HD2 LEU 14 0.403 6.114 -4.328 113 HD22 LEU 14 1HD2 LEU 14 -0.892 6.133 -3.131 114 HD23 LEU 14 2HD2 LEU 14 0.736 6.634 -2.676 115 H ARG 15 H ARG 15 -1.921 11.296 -2.303 116 HA ARG 15 HA ARG 15 -4.296 12.243 -3.436 117 HB2 ARG 15 2HB ARG 15 -1.556 13.461 -3.162 118 HB3 ARG 15 1HB ARG 15 -2.894 14.340 -3.890 119 HG2 ARG 15 2HG ARG 15 -3.921 14.687 -1.916 120 HG3 ARG 15 1HG ARG 15 -3.440 13.119 -1.267 121 HD2 ARG 15 2HD ARG 15 -1.637 15.516 -1.575 122 HD3 ARG 15 1HD ARG 15 -2.383 14.985 -0.068 123 HE ARG 15 HE ARG 15 -0.799 12.959 -1.351 124 HH11 ARG 15 1HH1 ARG 15 -0.739 15.679 0.835 125 HH12 ARG 15 2HH1 ARG 15 0.702 15.159 1.642 126 HH21 ARG 15 1HH2 ARG 15 1.095 12.273 -0.290 127 HH22 ARG 15 2HH2 ARG 15 1.745 13.226 1.004 128 H SER 16 H SER 16 -1.264 11.265 -4.904 129 HA SER 16 HA SER 16 -1.724 12.306 -7.482 130 HB2 SER 16 2HB SER 16 0.099 10.291 -6.285 131 HB3 SER 16 1HB SER 16 -0.158 10.184 -8.026 132 HG SER 16 HG SER 16 0.332 12.533 -7.994 133 H GLY 17 H GLY 17 -2.806 9.396 -5.883 134 HA2 GLY 17 2HA GLY 17 -4.962 8.532 -6.755 135 HA3 GLY 17 1HA GLY 17 -4.246 8.651 -8.356 136 H GLN 18 H GLN 18 -1.636 7.663 -7.338 137 HA GLN 18 HA GLN 18 -2.049 4.910 -7.850 138 HB2 GLN 18 2HB GLN 18 0.272 6.619 -7.104 139 HB3 GLN 18 1HB GLN 18 0.428 4.884 -6.863 140 HG2 GLN 18 2HG GLN 18 -0.605 5.048 -9.397 141 HG3 GLN 18 1HG GLN 18 0.464 6.448 -9.318 142 HE21 GLN 18 1HE2 GLN 18 2.661 5.960 -8.367 143 HE22 GLN 18 2HE2 GLN 18 3.420 4.496 -8.885 144 H CYS 19 H CYS 19 -1.042 3.216 -6.326 145 HA CYS 19 HA CYS 19 -1.920 3.744 -3.564 146 HB2 CYS 19 2HB CYS 19 -3.259 2.102 -5.247 147 HB3 CYS 19 1HB CYS 19 -2.108 0.962 -4.558 148 H VAL 20 H VAL 20 -0.191 3.737 -2.293 149 HA VAL 20 HA VAL 20 2.076 2.000 -2.957 150 HB VAL 20 HB VAL 20 1.968 4.205 -0.896 151 HG11 VAL 20 1HG1 VAL 20 4.487 4.081 -1.246 152 HG12 VAL 20 2HG1 VAL 20 4.188 2.538 -2.043 153 HG13 VAL 20 3HG1 VAL 20 3.740 2.759 -0.352 154 HG21 VAL 20 3HG2 VAL 20 1.738 4.621 -3.559 155 HG22 VAL 20 1HG2 VAL 20 3.491 4.620 -3.377 156 HG23 VAL 20 2HG2 VAL 20 2.509 5.748 -2.444 157 H ALA 21 H ALA 21 2.771 0.390 -1.642 158 HA ALA 21 HA ALA 21 0.969 -0.451 0.472 159 HB1 ALA 21 1HB ALA 21 3.223 -1.740 -1.009 160 HB2 ALA 21 2HB ALA 21 1.544 -2.257 -0.851 161 HB3 ALA 21 3HB ALA 21 2.652 -2.430 0.511 162 H THR 22 H THR 22 1.319 -0.196 2.582 163 HA THR 22 HA THR 22 3.477 1.350 3.549 164 HB THR 22 HB THR 22 1.862 -0.418 5.350 165 HG1 THR 22 1HG THR 22 0.112 0.360 4.524 166 HG21 THR 22 3HG2 THR 22 1.729 2.127 6.310 167 HG22 THR 22 1HG2 THR 22 3.339 2.083 5.593 168 HG23 THR 22 2HG2 THR 22 2.889 0.899 6.821 169 H THR 23 H THR 23 5.481 0.516 3.258 170 HA THR 23 HA THR 23 6.118 -1.906 4.775 171 HB THR 23 HB THR 23 7.260 -1.444 2.022 172 HG1 THR 23 1HG THR 23 5.433 -2.109 1.273 173 HG21 THR 23 3HG2 THR 23 7.192 -3.831 3.845 174 HG22 THR 23 1HG2 THR 23 8.605 -2.940 3.280 175 HG23 THR 23 2HG2 THR 23 7.658 -3.901 2.145 176 H GLU 24 H GLU 24 6.511 0.936 5.265 177 HA GLU 24 HA GLU 24 9.239 1.600 4.761 178 HB2 GLU 24 2HB GLU 24 6.997 2.783 6.311 179 HB3 GLU 24 1HB GLU 24 8.626 3.253 6.777 180 HG2 GLU 24 2HG GLU 24 8.739 3.538 4.078 181 HG3 GLU 24 1HG GLU 24 7.061 3.963 4.409 182 HA PRO 25 HA PRO 25 9.723 0.761 9.641 183 HB2 PRO 25 2HB PRO 25 7.893 -1.394 10.116 184 HB3 PRO 25 1HB PRO 25 7.936 0.190 10.888 185 HG2 PRO 25 2HG PRO 25 6.242 -0.777 8.680 186 HG3 PRO 25 1HG PRO 25 5.967 0.556 9.813 187 HD2 PRO 25 2HD PRO 25 6.571 0.962 7.212 188 HD3 PRO 25 1HD PRO 25 7.094 2.074 8.493 189 HA PRO 26 HA PRO 26 10.524 -3.894 8.641 190 HB2 PRO 26 2HB PRO 26 9.408 -4.915 6.374 191 HB3 PRO 26 1HB PRO 26 8.626 -4.986 7.958 192 HG2 PRO 26 2HG PRO 26 8.173 -3.066 5.705 193 HG3 PRO 26 1HG PRO 26 6.983 -3.879 6.740 194 HD2 PRO 26 2HD PRO 26 7.715 -1.316 7.140 195 HD3 PRO 26 1HD PRO 26 7.301 -2.399 8.484 196 H PHE 27 H PHE 27 11.468 -5.152 6.522 197 HA PHE 27 HA PHE 27 12.730 -3.217 4.737 198 HB2 PHE 27 2HB PHE 27 14.061 -4.533 6.935 199 HB3 PHE 27 1HB PHE 27 14.783 -5.019 5.405 200 HD1 PHE 27 1HD PHE 27 14.820 -2.763 3.737 201 HD2 PHE 27 2HD PHE 27 15.279 -2.898 7.966 202 HE1 PHE 27 1HE PHE 27 16.083 -0.654 3.663 203 HE2 PHE 27 2HE PHE 27 16.543 -0.788 7.900 204 HZ PHE 27 HZ PHE 27 16.947 0.336 5.746 205 H ASP 28 H ASP 28 14.406 -4.730 3.330 206 HA ASP 28 HA ASP 28 12.679 -6.325 1.745 207 HB2 ASP 28 2HB ASP 28 15.550 -5.564 1.679 208 HB3 ASP 28 1HB ASP 28 15.091 -7.011 0.786 209 HA PRO 29 HA PRO 29 15.302 -10.113 3.290 210 HB2 PRO 29 2HB PRO 29 16.733 -9.643 5.602 211 HB3 PRO 29 1HB PRO 29 17.417 -9.626 3.975 212 HG2 PRO 29 2HG PRO 29 16.556 -7.341 5.695 213 HG3 PRO 29 1HG PRO 29 17.953 -7.470 4.611 214 HD2 PRO 29 2HD PRO 29 15.734 -6.108 3.927 215 HD3 PRO 29 1HD PRO 29 16.695 -7.000 2.730 216 H ASP 30 H ASP 30 15.140 -8.450 6.410 217 HA ASP 30 HA ASP 30 12.523 -9.153 7.101 218 HB2 ASP 30 2HB ASP 30 13.356 -11.463 6.951 219 HB3 ASP 30 1HB ASP 30 14.610 -11.086 8.129 220 H SER 31 H SER 31 15.549 -9.538 8.917 221 HA SER 31 HA SER 31 15.537 -7.001 10.112 222 HB2 SER 31 2HB SER 31 14.921 -7.946 12.482 223 HB3 SER 31 1HB SER 31 13.640 -7.434 11.383 224 HG SER 31 HG SER 31 13.613 -9.652 12.495 225 H TYR 32 H TYR 32 15.976 -10.102 11.763 226 HA TYR 32 HA TYR 32 18.706 -9.411 12.395 227 HB2 TYR 32 2HB TYR 32 16.901 -10.730 13.820 228 HB3 TYR 32 1HB TYR 32 17.584 -12.116 12.977 229 HD1 TYR 32 1HD TYR 32 20.157 -12.390 13.098 230 HD2 TYR 32 2HD TYR 32 17.923 -9.925 15.749 231 HE1 TYR 32 1HE TYR 32 22.005 -12.466 14.718 232 HE2 TYR 32 2HE TYR 32 19.766 -9.994 17.377 233 HH TYR 32 HH TYR 32 22.753 -10.726 16.743 Start of MODEL 17 1 H1 SER 1 1HT SER 1 -12.928 9.360 0.627 2 H2 SER 1 2HT SER 1 -13.296 9.351 -1.049 3 H3 SER 1 3HT SER 1 -12.016 8.380 -0.443 4 HA SER 1 HA SER 1 -13.426 6.928 0.593 5 HB2 SER 1 2HB SER 1 -15.909 7.454 0.703 6 HB3 SER 1 1HB SER 1 -14.876 8.471 1.707 7 HG SER 1 HG SER 1 -15.022 10.089 0.142 8 H VAL 2 H VAL 2 -12.489 7.384 -2.109 9 HA VAL 2 HA VAL 2 -14.536 6.850 -3.995 10 HB VAL 2 HB VAL 2 -12.367 7.799 -4.650 11 HG11 VAL 2 1HG1 VAL 2 -10.349 6.751 -4.436 12 HG12 VAL 2 2HG1 VAL 2 -11.056 5.137 -4.492 13 HG13 VAL 2 3HG1 VAL 2 -11.175 6.100 -3.019 14 HG21 VAL 2 3HG2 VAL 2 -12.115 6.617 -6.699 15 HG22 VAL 2 1HG2 VAL 2 -13.818 6.517 -6.252 16 HG23 VAL 2 2HG2 VAL 2 -12.756 5.133 -5.995 17 H GLN 3 H GLN 3 -14.775 4.871 -5.256 18 HA GLN 3 HA GLN 3 -15.346 2.638 -3.716 19 HB2 GLN 3 2HB GLN 3 -15.283 1.411 -5.978 20 HB3 GLN 3 1HB GLN 3 -16.419 2.740 -5.791 21 HG2 GLN 3 2HG GLN 3 -13.788 3.501 -6.838 22 HG3 GLN 3 1HG GLN 3 -14.731 2.436 -7.880 23 HE21 GLN 3 1HE2 GLN 3 -14.320 4.690 -9.016 24 HE22 GLN 3 2HE2 GLN 3 -15.663 5.773 -8.921 25 H ILE 4 H ILE 4 -14.358 0.368 -4.585 26 HA ILE 4 HA ILE 4 -11.440 0.499 -4.551 27 HB ILE 4 HB ILE 4 -12.086 0.301 -2.195 28 HG12 ILE 4 2HG1 ILE 4 -11.138 -2.448 -2.718 29 HG13 ILE 4 1HG1 ILE 4 -10.209 -1.170 -3.496 30 HG21 ILE 4 1HG2 ILE 4 -13.166 -2.424 -2.508 31 HG22 ILE 4 2HG2 ILE 4 -14.216 -1.107 -3.031 32 HG23 ILE 4 3HG2 ILE 4 -13.609 -1.148 -1.375 33 HD11 ILE 4 3HD1 ILE 4 -10.860 -0.963 -0.595 34 HD12 ILE 4 1HD1 ILE 4 -9.503 -0.286 -1.496 35 HD13 ILE 4 2HD1 ILE 4 -9.549 -2.012 -1.134 36 H LEU 5 H LEU 5 -12.524 -0.082 -6.807 37 HA LEU 5 HA LEU 5 -13.416 -2.727 -7.213 38 HB2 LEU 5 2HB LEU 5 -12.735 -2.264 -9.636 39 HB3 LEU 5 1HB LEU 5 -13.996 -1.280 -8.926 40 HG LEU 5 HG LEU 5 -12.122 -0.199 -10.395 41 HD11 LEU 5 1HD1 LEU 5 -12.401 1.478 -8.043 42 HD12 LEU 5 2HD1 LEU 5 -13.926 0.745 -8.548 43 HD13 LEU 5 3HD1 LEU 5 -12.992 1.715 -9.687 44 HD21 LEU 5 3HD2 LEU 5 -10.777 -0.062 -7.707 45 HD22 LEU 5 1HD2 LEU 5 -10.193 0.563 -9.247 46 HD23 LEU 5 2HD2 LEU 5 -10.289 -1.177 -8.984 47 H ARG 6 H ARG 6 -10.310 -1.543 -6.527 48 HA ARG 6 HA ARG 6 -9.146 -4.106 -6.597 49 HB2 ARG 6 2HB ARG 6 -9.298 -3.392 -9.095 50 HB3 ARG 6 1HB ARG 6 -7.947 -2.337 -8.704 51 HG2 ARG 6 2HG ARG 6 -6.631 -4.061 -9.174 52 HG3 ARG 6 1HG ARG 6 -7.185 -4.773 -7.657 53 HD2 ARG 6 2HD ARG 6 -8.773 -6.109 -8.726 54 HD3 ARG 6 1HD ARG 6 -8.739 -5.133 -10.195 55 HE ARG 6 HE ARG 6 -7.097 -7.361 -9.614 56 HH11 ARG 6 1HH1 ARG 6 -7.008 -4.216 -11.126 57 HH12 ARG 6 2HH1 ARG 6 -5.724 -4.636 -12.210 58 HH21 ARG 6 1HH2 ARG 6 -5.410 -7.915 -11.040 59 HH22 ARG 6 2HH2 ARG 6 -4.817 -6.735 -12.162 60 H CYS 7 H CYS 7 -8.111 -3.817 -4.727 61 HA CYS 7 HA CYS 7 -5.843 -2.051 -4.637 62 HB2 CYS 7 2HB CYS 7 -8.312 -1.491 -3.032 63 HB3 CYS 7 1HB CYS 7 -6.732 -1.114 -2.352 64 HA PRO 8 HA PRO 8 -5.772 -6.248 -2.387 65 HB2 PRO 8 2HB PRO 8 -3.119 -6.117 -3.742 66 HB3 PRO 8 1HB PRO 8 -4.203 -7.495 -3.523 67 HG2 PRO 8 2HG PRO 8 -4.019 -6.278 -5.882 68 HG3 PRO 8 1HG PRO 8 -5.582 -6.857 -5.277 69 HD2 PRO 8 2HD PRO 8 -4.513 -4.077 -5.415 70 HD3 PRO 8 1HD PRO 8 -6.177 -4.661 -5.618 71 H ASP 9 H ASP 9 -3.752 -6.998 -1.049 72 HA ASP 9 HA ASP 9 -3.280 -5.067 0.926 73 HB2 ASP 9 2HB ASP 9 -1.605 -6.688 1.809 74 HB3 ASP 9 1HB ASP 9 -3.165 -7.424 1.456 75 H GLY 10 H GLY 10 -1.834 -3.479 1.106 76 HA2 GLY 10 2HA GLY 10 0.426 -2.663 0.921 77 HA3 GLY 10 1HA GLY 10 0.590 -3.587 -0.565 78 H MET 11 H MET 11 -2.091 -2.698 -1.489 79 HA MET 11 HA MET 11 -1.223 -0.125 -2.559 80 HB2 MET 11 2HB MET 11 -2.291 -2.264 -3.816 81 HB3 MET 11 1HB MET 11 -3.754 -1.340 -3.498 82 HG2 MET 11 2HG MET 11 -3.285 -0.330 -5.427 83 HG3 MET 11 1HG MET 11 -2.115 0.586 -4.479 84 HE1 MET 11 3HE MET 11 -1.122 -3.110 -7.033 85 HE2 MET 11 1HE MET 11 -2.712 -2.656 -6.421 86 HE3 MET 11 2HE MET 11 -1.503 -3.324 -5.324 87 H GLN 12 H GLN 12 -1.680 1.379 -1.008 88 HA GLN 12 HA GLN 12 -4.358 1.453 0.150 89 HB2 GLN 12 2HB GLN 12 -1.726 2.661 0.821 90 HB3 GLN 12 1HB GLN 12 -3.164 3.562 1.282 91 HG2 GLN 12 2HG GLN 12 -2.925 2.339 3.161 92 HG3 GLN 12 1HG GLN 12 -3.872 1.181 2.227 93 HE21 GLN 12 1HE2 GLN 12 -2.472 0.166 4.221 94 HE22 GLN 12 2HE2 GLN 12 -1.073 -0.677 3.660 95 H MET 13 H MET 13 -5.750 3.216 -0.045 96 HA MET 13 HA MET 13 -5.742 4.512 -2.565 97 HB2 MET 13 2HB MET 13 -7.429 4.761 -0.092 98 HB3 MET 13 1HB MET 13 -7.642 5.875 -1.436 99 HG2 MET 13 2HG MET 13 -8.007 3.909 -2.918 100 HG3 MET 13 1HG MET 13 -7.970 2.886 -1.482 101 HE1 MET 13 3HE MET 13 -9.669 1.910 -0.968 102 HE2 MET 13 1HE MET 13 -11.307 2.228 -1.542 103 HE3 MET 13 2HE MET 13 -10.828 2.728 0.080 104 H LEU 14 H LEU 14 -5.665 6.785 -2.998 105 HA LEU 14 HA LEU 14 -3.864 8.217 -1.164 106 HB2 LEU 14 2HB LEU 14 -4.291 8.536 -4.135 107 HB3 LEU 14 1HB LEU 14 -3.263 9.576 -3.167 108 HG LEU 14 HG LEU 14 -2.837 6.604 -3.477 109 HD11 LEU 14 1HD1 LEU 14 -2.247 7.192 -5.571 110 HD12 LEU 14 2HD1 LEU 14 -0.769 7.728 -4.774 111 HD13 LEU 14 3HD1 LEU 14 -2.038 8.893 -5.153 112 HD21 LEU 14 3HD2 LEU 14 -0.468 7.537 -2.757 113 HD22 LEU 14 1HD2 LEU 14 -1.695 7.100 -1.568 114 HD23 LEU 14 2HD2 LEU 14 -1.461 8.790 -2.012 115 H ARG 15 H ARG 15 -4.075 10.692 -1.429 116 HA ARG 15 HA ARG 15 -6.572 11.480 -0.455 117 HB2 ARG 15 2HB ARG 15 -5.765 13.802 -0.833 118 HB3 ARG 15 1HB ARG 15 -4.607 12.791 0.015 119 HG2 ARG 15 2HG ARG 15 -3.729 12.396 -2.463 120 HG3 ARG 15 1HG ARG 15 -4.466 13.983 -2.688 121 HD2 ARG 15 2HD ARG 15 -2.302 14.523 -2.076 122 HD3 ARG 15 1HD ARG 15 -3.164 14.619 -0.541 123 HE ARG 15 HE ARG 15 -1.933 12.846 0.221 124 HH11 ARG 15 1HH1 ARG 15 -1.611 13.034 -3.249 125 HH12 ARG 15 2HH1 ARG 15 -0.377 11.823 -3.325 126 HH21 ARG 15 1HH2 ARG 15 -0.310 11.251 0.123 127 HH22 ARG 15 2HH2 ARG 15 0.361 10.809 -1.411 128 H SER 16 H SER 16 -5.318 11.344 -3.716 129 HA SER 16 HA SER 16 -7.454 12.874 -4.871 130 HB2 SER 16 2HB SER 16 -5.978 11.046 -6.646 131 HB3 SER 16 1HB SER 16 -6.236 12.784 -6.779 132 HG SER 16 HG SER 16 -4.633 12.933 -5.021 133 H GLY 17 H GLY 17 -6.821 9.501 -4.212 134 HA2 GLY 17 2HA GLY 17 -9.008 8.263 -3.900 135 HA3 GLY 17 1HA GLY 17 -9.366 8.797 -5.534 136 H GLN 18 H GLN 18 -6.508 8.408 -6.318 137 HA GLN 18 HA GLN 18 -6.721 5.847 -7.407 138 HB2 GLN 18 2HB GLN 18 -4.217 7.467 -6.911 139 HB3 GLN 18 1HB GLN 18 -4.341 6.089 -7.995 140 HG2 GLN 18 2HG GLN 18 -5.946 8.613 -8.298 141 HG3 GLN 18 1HG GLN 18 -4.413 8.309 -9.114 142 HE21 GLN 18 1HE2 GLN 18 -4.326 6.853 -10.795 143 HE22 GLN 18 2HE2 GLN 18 -5.740 6.210 -11.551 144 H CYS 19 H CYS 19 -4.834 4.191 -7.071 145 HA CYS 19 HA CYS 19 -4.619 3.670 -4.178 146 HB2 CYS 19 2HB CYS 19 -6.012 2.140 -5.920 147 HB3 CYS 19 1HB CYS 19 -4.428 1.381 -6.047 148 H VAL 20 H VAL 20 -2.590 4.323 -3.705 149 HA VAL 20 HA VAL 20 -0.382 3.854 -5.493 150 HB VAL 20 HB VAL 20 -0.441 5.873 -4.100 151 HG11 VAL 20 1HG1 VAL 20 -1.544 5.032 -2.134 152 HG12 VAL 20 2HG1 VAL 20 0.028 5.689 -1.674 153 HG13 VAL 20 3HG1 VAL 20 -0.196 3.944 -1.797 154 HG21 VAL 20 3HG2 VAL 20 1.715 5.145 -4.847 155 HG22 VAL 20 1HG2 VAL 20 1.834 3.980 -3.530 156 HG23 VAL 20 2HG2 VAL 20 1.871 5.708 -3.184 157 H ALA 21 H ALA 21 1.098 2.262 -5.422 158 HA ALA 21 HA ALA 21 0.569 -0.024 -3.752 159 HB1 ALA 21 1HB ALA 21 1.380 0.041 -6.222 160 HB2 ALA 21 2HB ALA 21 1.989 -1.207 -5.136 161 HB3 ALA 21 3HB ALA 21 2.981 0.204 -5.499 162 H THR 22 H THR 22 0.984 1.000 -1.684 163 HA THR 22 HA THR 22 3.688 1.811 -1.068 164 HB THR 22 HB THR 22 1.737 1.305 1.110 165 HG1 THR 22 1HG THR 22 0.236 2.289 0.007 166 HG21 THR 22 3HG2 THR 22 3.583 2.425 1.900 167 HG22 THR 22 1HG2 THR 22 2.450 3.741 1.591 168 HG23 THR 22 2HG2 THR 22 3.745 3.403 0.442 169 H THR 23 H THR 23 4.788 -0.158 -1.575 170 HA THR 23 HA THR 23 4.229 -2.473 0.100 171 HB THR 23 HB THR 23 6.379 -3.255 -1.286 172 HG1 THR 23 1HG THR 23 6.508 -2.238 -3.232 173 HG21 THR 23 3HG2 THR 23 4.074 -4.213 -1.417 174 HG22 THR 23 1HG2 THR 23 4.981 -4.229 -2.929 175 HG23 THR 23 2HG2 THR 23 3.724 -3.021 -2.668 176 H GLU 24 H GLU 24 4.862 -0.759 1.880 177 HA GLU 24 HA GLU 24 7.753 -0.800 2.340 178 HB2 GLU 24 2HB GLU 24 5.513 0.919 3.254 179 HB3 GLU 24 1HB GLU 24 6.838 0.676 4.384 180 HG2 GLU 24 2HG GLU 24 8.404 1.632 2.906 181 HG3 GLU 24 1HG GLU 24 7.272 1.578 1.555 182 HA PRO 25 HA PRO 25 6.526 -4.307 5.023 183 HB2 PRO 25 2HB PRO 25 9.029 -5.377 5.140 184 HB3 PRO 25 1HB PRO 25 7.898 -5.698 3.818 185 HG2 PRO 25 2HG PRO 25 10.178 -3.758 3.934 186 HG3 PRO 25 1HG PRO 25 9.702 -4.849 2.619 187 HD2 PRO 25 2HD PRO 25 9.088 -2.223 2.596 188 HD3 PRO 25 1HD PRO 25 8.007 -3.450 1.905 189 HA PRO 26 HA PRO 26 7.919 -2.866 8.954 190 HB2 PRO 26 2HB PRO 26 8.519 -5.131 10.325 191 HB3 PRO 26 1HB PRO 26 6.863 -4.652 9.943 192 HG2 PRO 26 2HG PRO 26 8.629 -6.631 8.556 193 HG3 PRO 26 1HG PRO 26 6.910 -6.763 8.969 194 HD2 PRO 26 2HD PRO 26 7.761 -6.130 6.480 195 HD3 PRO 26 1HD PRO 26 6.248 -5.497 7.158 196 H PHE 27 H PHE 27 9.766 -3.591 10.733 197 HA PHE 27 HA PHE 27 12.178 -2.656 9.667 198 HB2 PHE 27 2HB PHE 27 11.216 -2.991 12.180 199 HB3 PHE 27 1HB PHE 27 12.365 -4.322 12.103 200 HD1 PHE 27 2HD PHE 27 12.109 -0.668 11.441 201 HD2 PHE 27 1HD PHE 27 14.590 -3.933 12.578 202 HE1 PHE 27 2HE PHE 27 13.946 0.898 11.915 203 HE2 PHE 27 1HE PHE 27 16.432 -2.373 13.057 204 HZ PHE 27 HZ PHE 27 16.111 0.046 12.724 205 H ASP 28 H ASP 28 14.074 -3.648 9.059 206 HA ASP 28 HA ASP 28 13.920 -6.113 7.759 207 HB2 ASP 28 2HB ASP 28 16.108 -4.244 8.502 208 HB3 ASP 28 1HB ASP 28 16.574 -5.886 8.068 209 HA PRO 29 HA PRO 29 14.607 -9.105 10.924 210 HB2 PRO 29 2HB PRO 29 15.874 -11.067 9.572 211 HB3 PRO 29 1HB PRO 29 14.172 -10.678 9.296 212 HG2 PRO 29 2HG PRO 29 16.577 -9.880 7.706 213 HG3 PRO 29 1HG PRO 29 14.995 -10.440 7.135 214 HD2 PRO 29 2HD PRO 29 15.719 -7.813 7.199 215 HD3 PRO 29 1HD PRO 29 14.040 -8.364 7.368 216 H ASP 30 H ASP 30 16.026 -8.156 12.376 217 HA ASP 30 HA ASP 30 18.889 -8.307 11.819 218 HB2 ASP 30 2HB ASP 30 17.577 -6.261 12.849 219 HB3 ASP 30 1HB ASP 30 17.791 -7.156 14.350 220 H SER 31 H SER 31 18.332 -10.768 11.985 221 HA SER 31 HA SER 31 18.404 -11.682 14.760 222 HB2 SER 31 2HB SER 31 16.932 -12.650 12.763 223 HB3 SER 31 1HB SER 31 18.387 -13.605 12.482 224 HG SER 31 HG SER 31 18.101 -14.627 14.341 225 H TYR 32 H TYR 32 20.702 -10.366 13.587 226 HA TYR 32 HA TYR 32 22.962 -10.578 13.436 227 HB2 TYR 32 2HB TYR 32 22.717 -11.438 15.710 228 HB3 TYR 32 1HB TYR 32 22.410 -13.055 15.085 229 HD1 TYR 32 1HD TYR 32 25.010 -10.450 14.392 230 HD2 TYR 32 2HD TYR 32 24.176 -14.466 15.526 231 HE1 TYR 32 1HE TYR 32 27.422 -10.925 14.462 232 HE2 TYR 32 2HE TYR 32 26.586 -14.951 15.599 233 HH TYR 32 HH TYR 32 28.954 -12.522 15.525 Start of MODEL 18 1 H1 SER 1 1HT SER 1 -17.530 1.347 -2.338 2 H2 SER 1 2HT SER 1 -17.293 3.022 -2.620 3 H3 SER 1 3HT SER 1 -15.945 1.962 -2.559 4 HA SER 1 HA SER 1 -18.036 2.168 -4.607 5 HB2 SER 1 2HB SER 1 -15.648 2.123 -5.868 6 HB3 SER 1 1HB SER 1 -16.393 3.609 -5.280 7 HG SER 1 HG SER 1 -14.509 3.749 -4.305 8 H VAL 2 H VAL 2 -16.937 0.768 -6.577 9 HA VAL 2 HA VAL 2 -16.221 -1.883 -5.594 10 HB VAL 2 HB VAL 2 -18.511 -1.539 -7.528 11 HG11 VAL 2 1HG1 VAL 2 -17.082 -3.840 -6.318 12 HG12 VAL 2 2HG1 VAL 2 -17.776 -3.656 -7.929 13 HG13 VAL 2 3HG1 VAL 2 -18.824 -3.987 -6.550 14 HG21 VAL 2 3HG2 VAL 2 -19.480 -0.736 -5.589 15 HG22 VAL 2 1HG2 VAL 2 -18.496 -1.764 -4.547 16 HG23 VAL 2 2HG2 VAL 2 -19.821 -2.464 -5.477 17 H GLN 3 H GLN 3 -14.780 0.160 -7.038 18 HA GLN 3 HA GLN 3 -14.658 -0.306 -9.796 19 HB2 GLN 3 2HB GLN 3 -12.319 0.482 -8.060 20 HB3 GLN 3 1HB GLN 3 -12.561 0.849 -9.762 21 HG2 GLN 3 2HG GLN 3 -14.582 2.182 -9.062 22 HG3 GLN 3 1HG GLN 3 -14.030 1.980 -7.400 23 HE21 GLN 3 1HE2 GLN 3 -12.463 2.731 -10.499 24 HE22 GLN 3 2HE2 GLN 3 -11.636 4.139 -9.933 25 H ILE 4 H ILE 4 -12.113 -0.950 -10.492 26 HA ILE 4 HA ILE 4 -11.900 -3.764 -9.646 27 HB ILE 4 HB ILE 4 -10.934 -2.633 -12.268 28 HG12 ILE 4 2HG1 ILE 4 -13.239 -4.369 -12.480 29 HG13 ILE 4 1HG1 ILE 4 -13.610 -2.968 -11.479 30 HG21 ILE 4 1HG2 ILE 4 -11.325 -5.219 -12.746 31 HG22 ILE 4 2HG2 ILE 4 -11.014 -5.314 -11.013 32 HG23 ILE 4 3HG2 ILE 4 -9.812 -4.598 -12.087 33 HD11 ILE 4 3HD1 ILE 4 -13.907 -1.782 -13.315 34 HD12 ILE 4 1HD1 ILE 4 -13.424 -3.155 -14.311 35 HD13 ILE 4 2HD1 ILE 4 -12.208 -2.018 -13.726 36 H LEU 5 H LEU 5 -10.632 -1.499 -8.334 37 HA LEU 5 HA LEU 5 -7.941 -2.521 -8.292 38 HB2 LEU 5 2HB LEU 5 -8.323 -0.558 -10.098 39 HB3 LEU 5 1HB LEU 5 -7.994 0.412 -8.675 40 HG LEU 5 HG LEU 5 -6.132 -1.810 -9.426 41 HD11 LEU 5 1HD1 LEU 5 -5.634 0.951 -10.420 42 HD12 LEU 5 2HD1 LEU 5 -6.683 -0.117 -11.352 43 HD13 LEU 5 3HD1 LEU 5 -5.018 -0.591 -11.012 44 HD21 LEU 5 3HD2 LEU 5 -5.701 0.854 -8.080 45 HD22 LEU 5 1HD2 LEU 5 -4.511 -0.433 -8.275 46 HD23 LEU 5 2HD2 LEU 5 -5.919 -0.682 -7.243 47 H ARG 6 H ARG 6 -9.830 -2.619 -6.336 48 HA ARG 6 HA ARG 6 -9.927 -0.494 -4.529 49 HB2 ARG 6 2HB ARG 6 -10.410 -3.411 -4.409 50 HB3 ARG 6 1HB ARG 6 -10.103 -2.620 -2.869 51 HG2 ARG 6 2HG ARG 6 -12.017 -1.199 -4.553 52 HG3 ARG 6 1HG ARG 6 -12.533 -2.824 -4.096 53 HD2 ARG 6 2HD ARG 6 -11.569 -0.716 -2.168 54 HD3 ARG 6 1HD ARG 6 -13.263 -1.074 -2.502 55 HE ARG 6 HE ARG 6 -11.731 -3.361 -1.667 56 HH11 ARG 6 1HH1 ARG 6 -13.619 -0.629 -0.593 57 HH12 ARG 6 2HH1 ARG 6 -14.020 -1.345 0.930 58 HH21 ARG 6 1HH2 ARG 6 -12.259 -4.306 0.337 59 HH22 ARG 6 2HH2 ARG 6 -13.248 -3.434 1.460 60 H CYS 7 H CYS 7 -9.023 -1.160 -2.107 61 HA CYS 7 HA CYS 7 -6.151 -1.693 -2.376 62 HB2 CYS 7 2HB CYS 7 -7.404 0.836 -1.637 63 HB3 CYS 7 1HB CYS 7 -6.264 0.272 -0.421 64 HA PRO 8 HA PRO 8 -8.149 -3.915 1.229 65 HB2 PRO 8 2HB PRO 8 -7.015 -6.335 0.054 66 HB3 PRO 8 1HB PRO 8 -8.695 -5.976 0.455 67 HG2 PRO 8 2HG PRO 8 -7.811 -6.187 -2.098 68 HG3 PRO 8 1HG PRO 8 -9.147 -5.121 -1.628 69 HD2 PRO 8 2HD PRO 8 -6.278 -4.442 -2.163 70 HD3 PRO 8 1HD PRO 8 -7.750 -3.570 -2.640 71 H ASP 9 H ASP 9 -6.709 -6.160 2.114 72 HA ASP 9 HA ASP 9 -4.610 -4.965 3.537 73 HB2 ASP 9 2HB ASP 9 -5.388 -7.834 3.057 74 HB3 ASP 9 1HB ASP 9 -3.968 -7.418 4.012 75 H GLY 10 H GLY 10 -3.231 -3.944 2.054 76 HA2 GLY 10 2HA GLY 10 -0.866 -5.026 1.411 77 HA3 GLY 10 1HA GLY 10 -1.858 -5.545 0.057 78 H MET 11 H MET 11 -3.451 -2.996 0.316 79 HA MET 11 HA MET 11 -1.467 -1.058 -0.630 80 HB2 MET 11 2HB MET 11 -4.048 -1.642 -2.093 81 HB3 MET 11 1HB MET 11 -2.804 -0.495 -2.569 82 HG2 MET 11 2HG MET 11 -1.244 -2.295 -2.972 83 HG3 MET 11 1HG MET 11 -2.421 -3.474 -2.397 84 HE1 MET 11 3HE MET 11 -1.687 -3.933 -6.138 85 HE2 MET 11 1HE MET 11 -0.693 -3.348 -4.804 86 HE3 MET 11 2HE MET 11 -1.180 -2.244 -6.090 87 H GLN 12 H GLN 12 -1.858 1.003 -0.021 88 HA GLN 12 HA GLN 12 -4.379 1.515 1.418 89 HB2 GLN 12 2HB GLN 12 -1.742 2.919 1.862 90 HB3 GLN 12 1HB GLN 12 -3.190 3.029 2.854 91 HG2 GLN 12 2HG GLN 12 -2.164 0.311 2.543 92 HG3 GLN 12 1HG GLN 12 -1.054 1.418 3.352 93 HE21 GLN 12 1HE2 GLN 12 -4.582 1.022 3.365 94 HE22 GLN 12 2HE2 GLN 12 -4.734 0.893 5.080 95 H MET 13 H MET 13 -4.117 4.275 1.686 96 HA MET 13 HA MET 13 -4.612 5.117 -1.074 97 HB2 MET 13 2HB MET 13 -6.426 5.453 0.556 98 HB3 MET 13 1HB MET 13 -5.360 6.457 1.530 99 HG2 MET 13 2HG MET 13 -5.165 7.764 -0.788 100 HG3 MET 13 1HG MET 13 -6.773 7.070 -0.988 101 HE1 MET 13 3HE MET 13 -5.446 8.313 2.762 102 HE2 MET 13 1HE MET 13 -5.358 9.989 2.218 103 HE3 MET 13 2HE MET 13 -4.416 8.744 1.396 104 H LEU 14 H LEU 14 -3.594 6.869 -1.999 105 HA LEU 14 HA LEU 14 -1.013 7.542 -0.917 106 HB2 LEU 14 2HB LEU 14 -2.487 8.163 -3.447 107 HB3 LEU 14 1HB LEU 14 -1.064 9.097 -3.023 108 HG LEU 14 HG LEU 14 -1.062 6.093 -3.251 109 HD11 LEU 14 1HD1 LEU 14 -0.999 8.153 -5.320 110 HD12 LEU 14 2HD1 LEU 14 -1.293 6.419 -5.449 111 HD13 LEU 14 3HD1 LEU 14 0.360 7.031 -5.388 112 HD21 LEU 14 3HD2 LEU 14 1.311 6.285 -3.236 113 HD22 LEU 14 1HD2 LEU 14 0.705 7.226 -1.873 114 HD23 LEU 14 2HD2 LEU 14 1.230 8.045 -3.343 115 H ARG 15 H ARG 15 -0.281 9.842 -0.861 116 HA ARG 15 HA ARG 15 -1.719 11.323 0.996 117 HB2 ARG 15 2HB ARG 15 -0.216 13.240 0.249 118 HB3 ARG 15 1HB ARG 15 0.587 11.779 0.809 119 HG2 ARG 15 2HG ARG 15 0.073 11.864 -2.076 120 HG3 ARG 15 1HG ARG 15 1.187 13.095 -1.481 121 HD2 ARG 15 2HD ARG 15 1.951 10.737 -0.197 122 HD3 ARG 15 1HD ARG 15 1.600 10.261 -1.858 123 HE ARG 15 HE ARG 15 3.789 11.879 -0.943 124 HH11 ARG 15 1HH1 ARG 15 1.752 11.108 -3.669 125 HH12 ARG 15 2HH1 ARG 15 2.911 11.631 -4.843 126 HH21 ARG 15 1HH2 ARG 15 5.314 12.570 -2.486 127 HH22 ARG 15 2HH2 ARG 15 4.934 12.463 -4.172 128 H SER 16 H SER 16 -2.028 11.179 -2.445 129 HA SER 16 HA SER 16 -3.641 13.606 -2.547 130 HB2 SER 16 2HB SER 16 -3.784 12.643 -5.063 131 HB3 SER 16 1HB SER 16 -2.447 13.641 -4.489 132 HG SER 16 HG SER 16 -1.163 11.930 -4.446 133 H GLY 17 H GLY 17 -3.961 10.127 -2.654 134 HA2 GLY 17 2HA GLY 17 -6.305 9.570 -1.732 135 HA3 GLY 17 1HA GLY 17 -6.844 10.395 -3.186 136 H GLN 18 H GLN 18 -4.407 9.233 -4.602 137 HA GLN 18 HA GLN 18 -5.663 7.100 -5.866 138 HB2 GLN 18 2HB GLN 18 -2.926 8.209 -5.792 139 HB3 GLN 18 1HB GLN 18 -3.048 6.536 -6.320 140 HG2 GLN 18 2HG GLN 18 -3.133 7.851 -8.266 141 HG3 GLN 18 1HG GLN 18 -4.783 7.300 -7.973 142 HE21 GLN 18 1HE2 GLN 18 -4.022 9.528 -9.557 143 HE22 GLN 18 2HE2 GLN 18 -4.689 10.944 -8.824 144 H CYS 19 H CYS 19 -4.075 4.926 -6.005 145 HA CYS 19 HA CYS 19 -4.278 3.811 -3.290 146 HB2 CYS 19 2HB CYS 19 -5.108 2.853 -5.888 147 HB3 CYS 19 1HB CYS 19 -4.024 1.696 -5.122 148 H VAL 20 H VAL 20 -2.429 3.502 -2.270 149 HA VAL 20 HA VAL 20 0.041 3.175 -3.815 150 HB VAL 20 HB VAL 20 0.022 4.959 -2.121 151 HG11 VAL 20 1HG1 VAL 20 0.085 4.257 0.298 152 HG12 VAL 20 2HG1 VAL 20 -0.531 2.689 -0.226 153 HG13 VAL 20 3HG1 VAL 20 -1.490 4.144 -0.490 154 HG21 VAL 20 3HG2 VAL 20 2.145 4.515 -1.206 155 HG22 VAL 20 1HG2 VAL 20 2.090 3.605 -2.717 156 HG23 VAL 20 2HG2 VAL 20 1.858 2.774 -1.178 157 H ALA 21 H ALA 21 1.632 1.600 -3.071 158 HA ALA 21 HA ALA 21 0.328 -0.870 -2.192 159 HB1 ALA 21 1HB ALA 21 1.777 -2.030 -3.488 160 HB2 ALA 21 2HB ALA 21 3.121 -0.937 -3.157 161 HB3 ALA 21 3HB ALA 21 1.888 -0.489 -4.336 162 H THR 22 H THR 22 1.028 -2.038 -0.440 163 HA THR 22 HA THR 22 2.140 -0.669 1.722 164 HB THR 22 HB THR 22 1.978 -3.652 1.250 165 HG1 THR 22 1HG THR 22 0.050 -3.483 2.384 166 HG21 THR 22 3HG2 THR 22 3.489 -3.219 3.083 167 HG22 THR 22 1HG2 THR 22 1.962 -3.861 3.687 168 HG23 THR 22 2HG2 THR 22 2.311 -2.139 3.829 169 H THR 23 H THR 23 4.080 0.303 1.179 170 HA THR 23 HA THR 23 6.393 -1.445 1.306 171 HB THR 23 HB THR 23 7.027 0.462 -0.709 172 HG1 THR 23 1HG THR 23 5.146 0.638 -1.636 173 HG21 THR 23 3HG2 THR 23 6.962 -2.471 -0.450 174 HG22 THR 23 1HG2 THR 23 8.250 -1.401 -1.002 175 HG23 THR 23 2HG2 THR 23 6.926 -1.822 -2.089 176 H GLU 24 H GLU 24 5.135 0.529 3.035 177 HA GLU 24 HA GLU 24 6.741 2.904 2.982 178 HB2 GLU 24 2HB GLU 24 4.403 2.009 4.337 179 HB3 GLU 24 1HB GLU 24 5.570 2.501 5.555 180 HG2 GLU 24 2HG GLU 24 5.248 4.341 3.285 181 HG3 GLU 24 1HG GLU 24 3.851 4.176 4.348 182 HA PRO 25 HA PRO 25 8.950 0.954 6.772 183 HB2 PRO 25 2HB PRO 25 8.322 -1.562 7.531 184 HB3 PRO 25 1HB PRO 25 7.424 -0.150 8.100 185 HG2 PRO 25 2HG PRO 25 6.735 -2.078 5.916 186 HG3 PRO 25 1HG PRO 25 5.690 -1.389 7.170 187 HD2 PRO 25 2HD PRO 25 5.759 -0.452 4.619 188 HD3 PRO 25 1HD PRO 25 5.391 0.577 6.017 189 HA PRO 26 HA PRO 26 11.503 -1.131 3.632 190 HB2 PRO 26 2HB PRO 26 13.883 -0.296 4.656 191 HB3 PRO 26 1HB PRO 26 12.875 0.710 3.609 192 HG2 PRO 26 2HG PRO 26 13.120 0.732 6.593 193 HG3 PRO 26 1HG PRO 26 13.046 2.100 5.466 194 HD2 PRO 26 2HD PRO 26 10.900 1.283 6.890 195 HD3 PRO 26 1HD PRO 26 10.752 1.968 5.259 196 H PHE 27 H PHE 27 13.886 -2.232 4.200 197 HA PHE 27 HA PHE 27 13.207 -4.579 5.614 198 HB2 PHE 27 2HB PHE 27 16.020 -3.718 4.958 199 HB3 PHE 27 1HB PHE 27 15.378 -5.350 5.070 200 HD1 PHE 27 1HD PHE 27 13.868 -6.208 3.298 201 HD2 PHE 27 2HD PHE 27 15.894 -2.481 2.945 202 HE1 PHE 27 1HE PHE 27 13.459 -6.218 0.871 203 HE2 PHE 27 2HE PHE 27 15.488 -2.486 0.519 204 HZ PHE 27 HZ PHE 27 14.269 -4.356 -0.520 205 H ASP 28 H ASP 28 12.525 -3.525 7.644 206 HA ASP 28 HA ASP 28 14.250 -2.178 9.368 207 HB2 ASP 28 2HB ASP 28 12.032 -4.030 10.237 208 HB3 ASP 28 1HB ASP 28 12.647 -2.615 11.083 209 HA PRO 29 HA PRO 29 17.202 -5.537 10.081 210 HB2 PRO 29 2HB PRO 29 17.910 -3.632 12.267 211 HB3 PRO 29 1HB PRO 29 18.963 -4.468 11.118 212 HG2 PRO 29 2HG PRO 29 18.393 -1.888 10.806 213 HG3 PRO 29 1HG PRO 29 18.505 -2.973 9.406 214 HD2 PRO 29 2HD PRO 29 16.094 -1.817 10.723 215 HD3 PRO 29 1HD PRO 29 16.376 -2.196 9.012 216 H ASP 30 H ASP 30 15.632 -7.030 10.843 217 HA ASP 30 HA ASP 30 14.721 -6.827 13.588 218 HB2 ASP 30 2HB ASP 30 13.523 -8.944 13.086 219 HB3 ASP 30 1HB ASP 30 13.149 -7.663 11.938 220 H SER 31 H SER 31 16.985 -8.725 11.687 221 HA SER 31 HA SER 31 18.654 -9.311 13.853 222 HB2 SER 31 2HB SER 31 16.504 -11.292 13.308 223 HB3 SER 31 1HB SER 31 18.118 -11.927 13.628 224 HG SER 31 HG SER 31 16.711 -10.108 15.295 225 H TYR 32 H TYR 32 17.621 -11.541 11.302 226 HA TYR 32 HA TYR 32 19.917 -10.855 9.664 227 HB2 TYR 32 2HB TYR 32 20.616 -13.291 9.565 228 HB3 TYR 32 1HB TYR 32 20.988 -12.449 11.067 229 HD1 TYR 32 2HD TYR 32 18.747 -14.918 9.488 230 HD2 TYR 32 1HD TYR 32 20.009 -13.129 13.135 231 HE1 TYR 32 2HE TYR 32 17.557 -16.662 10.748 232 HE2 TYR 32 1HE TYR 32 18.824 -14.868 14.406 233 HH TYR 32 HH TYR 32 17.868 -17.697 13.203 Start of MODEL 19 1 H1 SER 1 1HT SER 1 -19.034 1.375 -4.634 2 H2 SER 1 2HT SER 1 -20.575 1.446 -5.385 3 H3 SER 1 3HT SER 1 -19.172 1.919 -6.254 4 HA SER 1 HA SER 1 -19.918 -0.776 -5.344 5 HB2 SER 1 2HB SER 1 -19.935 0.742 -7.902 6 HB3 SER 1 1HB SER 1 -19.440 -0.948 -7.987 7 HG SER 1 HG SER 1 -21.445 -1.338 -6.725 8 H VAL 2 H VAL 2 -18.383 -2.297 -6.808 9 HA VAL 2 HA VAL 2 -15.773 -1.959 -5.677 10 HB VAL 2 HB VAL 2 -16.775 -4.186 -5.886 11 HG11 VAL 2 1HG1 VAL 2 -17.667 -3.435 -8.301 12 HG12 VAL 2 2HG1 VAL 2 -17.501 -5.121 -7.811 13 HG13 VAL 2 3HG1 VAL 2 -16.245 -4.357 -8.785 14 HG21 VAL 2 3HG2 VAL 2 -14.789 -5.232 -6.205 15 HG22 VAL 2 1HG2 VAL 2 -14.191 -3.572 -6.186 16 HG23 VAL 2 2HG2 VAL 2 -14.467 -4.395 -7.723 17 H GLN 3 H GLN 3 -14.392 -0.539 -6.518 18 HA GLN 3 HA GLN 3 -14.386 -0.018 -9.385 19 HB2 GLN 3 2HB GLN 3 -14.020 1.606 -7.179 20 HB3 GLN 3 1HB GLN 3 -12.384 1.388 -7.785 21 HG2 GLN 3 2HG GLN 3 -13.074 2.181 -9.978 22 HG3 GLN 3 1HG GLN 3 -14.729 2.365 -9.400 23 HE21 GLN 3 1HE2 GLN 3 -13.635 4.516 -10.482 24 HE22 GLN 3 2HE2 GLN 3 -13.200 5.682 -9.285 25 H ILE 4 H ILE 4 -11.887 0.578 -10.040 26 HA ILE 4 HA ILE 4 -10.473 -1.972 -9.722 27 HB ILE 4 HB ILE 4 -9.137 -1.001 -11.732 28 HG12 ILE 4 2HG1 ILE 4 -10.433 0.464 -13.193 29 HG13 ILE 4 1HG1 ILE 4 -11.730 0.530 -12.003 30 HG21 ILE 4 1HG2 ILE 4 -11.867 -2.207 -11.758 31 HG22 ILE 4 2HG2 ILE 4 -10.312 -2.949 -12.128 32 HG23 ILE 4 3HG2 ILE 4 -11.049 -1.829 -13.273 33 HD11 ILE 4 3HD1 ILE 4 -10.597 1.967 -10.650 34 HD12 ILE 4 1HD1 ILE 4 -9.949 2.449 -12.218 35 HD13 ILE 4 2HD1 ILE 4 -9.014 1.386 -11.168 36 H LEU 5 H LEU 5 -10.372 0.182 -7.756 37 HA LEU 5 HA LEU 5 -7.512 0.322 -7.481 38 HB2 LEU 5 2HB LEU 5 -7.661 2.872 -7.115 39 HB3 LEU 5 1HB LEU 5 -7.555 2.256 -8.753 40 HG LEU 5 HG LEU 5 -10.149 2.408 -8.728 41 HD11 LEU 5 1HD1 LEU 5 -10.889 2.973 -6.675 42 HD12 LEU 5 2HD1 LEU 5 -10.561 4.610 -7.245 43 HD13 LEU 5 3HD1 LEU 5 -9.382 3.777 -6.232 44 HD21 LEU 5 3HD2 LEU 5 -9.921 4.926 -9.236 45 HD22 LEU 5 1HD2 LEU 5 -9.030 3.776 -10.233 46 HD23 LEU 5 2HD2 LEU 5 -8.199 4.668 -8.959 47 H ARG 6 H ARG 6 -9.795 -0.779 -6.047 48 HA ARG 6 HA ARG 6 -10.519 0.724 -3.805 49 HB2 ARG 6 2HB ARG 6 -10.462 -2.176 -4.478 50 HB3 ARG 6 1HB ARG 6 -10.668 -1.734 -2.790 51 HG2 ARG 6 2HG ARG 6 -12.409 -0.737 -5.032 52 HG3 ARG 6 1HG ARG 6 -12.795 -2.110 -3.992 53 HD2 ARG 6 2HD ARG 6 -13.329 -0.795 -2.234 54 HD3 ARG 6 1HD ARG 6 -12.068 0.382 -2.599 55 HE ARG 6 HE ARG 6 -14.263 0.411 -4.459 56 HH11 ARG 6 1HH1 ARG 6 -13.066 1.642 -1.420 57 HH12 ARG 6 2HH1 ARG 6 -14.061 3.058 -1.460 58 HH21 ARG 6 1HH2 ARG 6 -15.572 2.274 -4.511 59 HH22 ARG 6 2HH2 ARG 6 -15.484 3.418 -3.213 60 H CYS 7 H CYS 7 -9.894 -0.476 -1.511 61 HA CYS 7 HA CYS 7 -6.954 -0.342 -1.357 62 HB2 CYS 7 2HB CYS 7 -8.950 0.682 0.672 63 HB3 CYS 7 1HB CYS 7 -7.200 0.703 0.860 64 HA PRO 8 HA PRO 8 -8.376 -4.472 0.254 65 HB2 PRO 8 2HB PRO 8 -5.819 -5.315 -0.948 66 HB3 PRO 8 1HB PRO 8 -7.438 -5.985 -1.168 67 HG2 PRO 8 2HG PRO 8 -6.220 -4.586 -3.107 68 HG3 PRO 8 1HG PRO 8 -7.972 -4.493 -2.849 69 HD2 PRO 8 2HD PRO 8 -5.829 -2.561 -2.040 70 HD3 PRO 8 1HD PRO 8 -7.444 -2.241 -2.706 71 H ASP 9 H ASP 9 -6.991 -6.070 1.562 72 HA ASP 9 HA ASP 9 -5.759 -4.637 3.681 73 HB2 ASP 9 2HB ASP 9 -5.244 -6.919 4.580 74 HB3 ASP 9 1HB ASP 9 -6.941 -6.675 4.178 75 H GLY 10 H GLY 10 -4.071 -3.502 2.549 76 HA2 GLY 10 2HA GLY 10 -1.536 -4.239 2.948 77 HA3 GLY 10 1HA GLY 10 -1.890 -5.081 1.447 78 H MET 11 H MET 11 -3.755 -2.764 0.746 79 HA MET 11 HA MET 11 -1.642 -1.063 -0.362 80 HB2 MET 11 2HB MET 11 -4.552 -1.304 -1.151 81 HB3 MET 11 1HB MET 11 -3.345 -0.321 -1.969 82 HG2 MET 11 2HG MET 11 -2.139 -2.730 -2.042 83 HG3 MET 11 1HG MET 11 -3.833 -3.216 -2.088 84 HE1 MET 11 3HE MET 11 -4.278 -4.125 -4.262 85 HE2 MET 11 1HE MET 11 -4.557 -3.102 -5.672 86 HE3 MET 11 2HE MET 11 -5.445 -2.805 -4.178 87 H GLN 12 H GLN 12 -1.263 0.826 0.569 88 HA GLN 12 HA GLN 12 -3.347 2.018 2.248 89 HB2 GLN 12 2HB GLN 12 -1.504 3.385 3.189 90 HB3 GLN 12 1HB GLN 12 -1.248 1.658 3.385 91 HG2 GLN 12 2HG GLN 12 0.734 1.868 2.439 92 HG3 GLN 12 1HG GLN 12 -0.051 2.371 0.943 93 HE21 GLN 12 1HE2 GLN 12 2.447 3.278 1.603 94 HE22 GLN 12 2HE2 GLN 12 2.376 4.965 1.967 95 H MET 13 H MET 13 -3.871 4.233 2.090 96 HA MET 13 HA MET 13 -4.069 5.218 -0.547 97 HB2 MET 13 2HB MET 13 -4.407 6.830 1.982 98 HB3 MET 13 1HB MET 13 -5.132 7.142 0.410 99 HG2 MET 13 2HG MET 13 -6.800 5.687 0.744 100 HG3 MET 13 1HG MET 13 -5.763 4.520 1.558 101 HE1 MET 13 3HE MET 13 -5.672 5.784 5.209 102 HE2 MET 13 1HE MET 13 -4.498 5.754 3.893 103 HE3 MET 13 2HE MET 13 -5.514 4.346 4.201 104 H LEU 14 H LEU 14 -3.160 7.135 -1.458 105 HA LEU 14 HA LEU 14 -0.559 7.880 -0.288 106 HB2 LEU 14 2HB LEU 14 0.390 8.048 -2.473 107 HB3 LEU 14 1HB LEU 14 -0.365 6.472 -2.326 108 HG LEU 14 HG LEU 14 -1.925 8.689 -3.575 109 HD11 LEU 14 1HD1 LEU 14 -0.898 7.704 -5.776 110 HD12 LEU 14 2HD1 LEU 14 0.475 7.356 -4.725 111 HD13 LEU 14 3HD1 LEU 14 -0.094 9.013 -4.911 112 HD21 LEU 14 3HD2 LEU 14 -1.864 5.963 -4.678 113 HD22 LEU 14 1HD2 LEU 14 -3.231 7.030 -4.352 114 HD23 LEU 14 2HD2 LEU 14 -2.500 6.105 -3.039 115 H ARG 15 H ARG 15 0.216 9.965 -1.690 116 HA ARG 15 HA ARG 15 -1.312 12.096 -0.731 117 HB2 ARG 15 2HB ARG 15 0.767 12.051 -2.923 118 HB3 ARG 15 1HB ARG 15 0.129 13.515 -2.187 119 HG2 ARG 15 2HG ARG 15 1.090 12.978 -0.083 120 HG3 ARG 15 1HG ARG 15 1.512 11.352 -0.623 121 HD2 ARG 15 2HD ARG 15 3.373 13.109 -0.544 122 HD3 ARG 15 1HD ARG 15 3.232 12.125 -1.997 123 HE ARG 15 HE ARG 15 2.649 14.966 -1.738 124 HH11 ARG 15 1HH1 ARG 15 2.564 12.102 -3.740 125 HH12 ARG 15 2HH1 ARG 15 2.393 12.990 -5.214 126 HH21 ARG 15 1HH2 ARG 15 2.424 16.129 -3.680 127 HH22 ARG 15 2HH2 ARG 15 2.313 15.274 -5.181 128 H SER 16 H SER 16 -1.179 10.631 -3.943 129 HA SER 16 HA SER 16 -2.777 12.488 -5.293 130 HB2 SER 16 2HB SER 16 -2.020 9.636 -5.740 131 HB3 SER 16 1HB SER 16 -3.341 10.303 -6.695 132 HG SER 16 HG SER 16 -0.741 10.613 -7.069 133 H GLY 17 H GLY 17 -3.605 9.828 -3.184 134 HA2 GLY 17 2HA GLY 17 -5.770 10.158 -2.007 135 HA3 GLY 17 1HA GLY 17 -6.461 10.474 -3.590 136 H GLN 18 H GLN 18 -5.036 8.390 -4.957 137 HA GLN 18 HA GLN 18 -6.825 6.253 -4.557 138 HB2 GLN 18 2HB GLN 18 -4.944 6.982 -6.488 139 HB3 GLN 18 1HB GLN 18 -4.364 5.442 -5.869 140 HG2 GLN 18 2HG GLN 18 -5.801 5.138 -7.803 141 HG3 GLN 18 1HG GLN 18 -6.512 4.416 -6.361 142 HE21 GLN 18 1HE2 GLN 18 -8.356 5.318 -5.470 143 HE22 GLN 18 2HE2 GLN 18 -9.326 6.471 -6.315 144 H CYS 19 H CYS 19 -5.320 3.937 -4.650 145 HA CYS 19 HA CYS 19 -3.914 3.933 -2.064 146 HB2 CYS 19 2HB CYS 19 -6.251 2.383 -2.939 147 HB3 CYS 19 1HB CYS 19 -4.972 1.410 -2.224 148 H VAL 20 H VAL 20 -1.869 3.358 -2.328 149 HA VAL 20 HA VAL 20 -1.132 1.687 -4.621 150 HB VAL 20 HB VAL 20 0.725 3.197 -2.782 151 HG11 VAL 20 1HG1 VAL 20 2.218 3.008 -4.830 152 HG12 VAL 20 2HG1 VAL 20 1.068 1.812 -5.428 153 HG13 VAL 20 3HG1 VAL 20 1.933 1.526 -3.918 154 HG21 VAL 20 3HG2 VAL 20 -0.409 4.962 -3.706 155 HG22 VAL 20 1HG2 VAL 20 -0.811 4.078 -5.178 156 HG23 VAL 20 2HG2 VAL 20 0.822 4.698 -4.941 157 H ALA 21 H ALA 21 0.422 -0.034 -4.339 158 HA ALA 21 HA ALA 21 -0.217 -1.720 -2.140 159 HB1 ALA 21 1HB ALA 21 0.802 -3.365 -3.311 160 HB2 ALA 21 2HB ALA 21 2.170 -2.349 -3.762 161 HB3 ALA 21 3HB ALA 21 0.642 -2.205 -4.630 162 H THR 22 H THR 22 0.847 -2.117 -0.281 163 HA THR 22 HA THR 22 2.765 -0.258 0.656 164 HB THR 22 HB THR 22 1.200 -1.368 2.168 165 HG1 THR 22 1HG THR 22 3.873 -2.118 2.742 166 HG21 THR 22 3HG2 THR 22 2.728 -3.896 2.182 167 HG22 THR 22 1HG2 THR 22 1.569 -3.656 0.874 168 HG23 THR 22 2HG2 THR 22 1.032 -3.587 2.553 169 H THR 23 H THR 23 4.673 -0.216 -0.420 170 HA THR 23 HA THR 23 6.138 -2.742 -0.732 171 HB THR 23 HB THR 23 6.979 -0.137 -1.965 172 HG1 THR 23 1HG THR 23 5.232 -0.145 -3.098 173 HG21 THR 23 3HG2 THR 23 7.663 -1.709 -3.816 174 HG22 THR 23 1HG2 THR 23 7.351 -3.024 -2.684 175 HG23 THR 23 2HG2 THR 23 8.582 -1.817 -2.314 176 H GLU 24 H GLU 24 5.882 -1.291 1.793 177 HA GLU 24 HA GLU 24 8.434 -0.043 2.271 178 HB2 GLU 24 2HB GLU 24 6.413 -0.869 4.347 179 HB3 GLU 24 1HB GLU 24 7.623 0.398 4.453 180 HG2 GLU 24 2HG GLU 24 6.162 1.214 2.308 181 HG3 GLU 24 1HG GLU 24 4.934 0.458 3.323 182 HA PRO 25 HA PRO 25 10.594 -3.692 3.519 183 HB2 PRO 25 2HB PRO 25 12.455 -2.634 5.169 184 HB3 PRO 25 1HB PRO 25 12.497 -2.401 3.417 185 HG2 PRO 25 2HG PRO 25 11.507 -0.549 5.552 186 HG3 PRO 25 1HG PRO 25 12.492 -0.184 4.124 187 HD2 PRO 25 2HD PRO 25 9.812 0.268 4.230 188 HD3 PRO 25 1HD PRO 25 10.665 -0.125 2.725 189 HA PRO 26 HA PRO 26 8.135 -4.643 7.230 190 HB2 PRO 26 2HB PRO 26 9.593 -7.209 6.815 191 HB3 PRO 26 1HB PRO 26 7.872 -6.925 7.101 192 HG2 PRO 26 2HG PRO 26 8.755 -7.547 4.669 193 HG3 PRO 26 1HG PRO 26 7.463 -6.352 4.890 194 HD2 PRO 26 2HD PRO 26 10.347 -5.931 4.243 195 HD3 PRO 26 1HD PRO 26 8.921 -5.037 3.680 196 H PHE 27 H PHE 27 8.891 -6.104 9.246 197 HA PHE 27 HA PHE 27 11.354 -4.837 10.181 198 HB2 PHE 27 2HB PHE 27 8.998 -4.855 11.398 199 HB3 PHE 27 1HB PHE 27 9.582 -6.402 12.002 200 HD1 PHE 27 2HD PHE 27 10.957 -2.963 11.508 201 HD2 PHE 27 1HD PHE 27 10.547 -6.336 14.072 202 HE1 PHE 27 2HE PHE 27 12.244 -1.793 13.249 203 HE2 PHE 27 1HE PHE 27 11.831 -5.170 15.816 204 HZ PHE 27 HZ PHE 27 12.682 -2.896 15.407 205 H ASP 28 H ASP 28 11.363 -7.155 8.399 206 HA ASP 28 HA ASP 28 12.261 -9.349 10.081 207 HB2 ASP 28 2HB ASP 28 11.472 -9.025 7.256 208 HB3 ASP 28 1HB ASP 28 12.773 -10.178 7.540 209 HA PRO 29 HA PRO 29 16.403 -8.471 7.881 210 HB2 PRO 29 2HB PRO 29 16.600 -6.572 5.992 211 HB3 PRO 29 1HB PRO 29 15.992 -8.192 5.622 212 HG2 PRO 29 2HG PRO 29 14.467 -5.661 6.097 213 HG3 PRO 29 1HG PRO 29 14.207 -6.908 4.865 214 HD2 PRO 29 2HD PRO 29 12.762 -6.737 7.181 215 HD3 PRO 29 1HD PRO 29 13.034 -8.253 6.300 216 H ASP 30 H ASP 30 18.159 -6.814 7.996 217 HA ASP 30 HA ASP 30 17.740 -4.191 8.874 218 HB2 ASP 30 2HB ASP 30 16.898 -5.740 10.853 219 HB3 ASP 30 1HB ASP 30 18.619 -5.814 11.219 220 H SER 31 H SER 31 19.858 -6.870 9.863 221 HA SER 31 HA SER 31 22.041 -6.127 8.278 222 HB2 SER 31 2HB SER 31 23.444 -5.409 10.441 223 HB3 SER 31 1HB SER 31 22.599 -4.230 9.439 224 HG SER 31 HG SER 31 21.497 -5.456 11.747 225 H TYR 32 H TYR 32 21.008 -7.512 11.348 226 HA TYR 32 HA TYR 32 23.193 -9.328 11.575 227 HB2 TYR 32 2HB TYR 32 21.141 -8.487 13.236 228 HB3 TYR 32 1HB TYR 32 20.741 -10.171 12.915 229 HD1 TYR 32 2HD TYR 32 22.974 -11.745 13.013 230 HD2 TYR 32 1HD TYR 32 22.367 -8.109 15.141 231 HE1 TYR 32 2HE TYR 32 24.625 -12.456 14.690 232 HE2 TYR 32 1HE TYR 32 24.018 -8.812 16.822 233 HH TYR 32 HH TYR 32 26.044 -10.416 16.857 Start of MODEL 20 1 H1 SER 1 1HT SER 1 -16.510 5.039 -1.045 2 H2 SER 1 2HT SER 1 -16.482 3.328 -0.912 3 H3 SER 1 3HT SER 1 -17.970 4.148 -1.154 4 HA SER 1 HA SER 1 -17.424 3.255 -3.188 5 HB2 SER 1 2HB SER 1 -18.220 5.550 -3.284 6 HB3 SER 1 1HB SER 1 -16.588 6.162 -3.027 7 HG SER 1 HG SER 1 -16.008 5.236 -5.034 8 H VAL 2 H VAL 2 -15.596 1.805 -2.562 9 HA VAL 2 HA VAL 2 -12.911 2.616 -2.717 10 HB VAL 2 HB VAL 2 -12.492 0.152 -3.198 11 HG11 VAL 2 1HG1 VAL 2 -13.388 -0.503 -0.874 12 HG12 VAL 2 2HG1 VAL 2 -13.923 1.175 -0.777 13 HG13 VAL 2 3HG1 VAL 2 -12.211 0.805 -0.985 14 HG21 VAL 2 3HG2 VAL 2 -14.256 -1.394 -3.094 15 HG22 VAL 2 1HG2 VAL 2 -14.816 -0.137 -4.197 16 HG23 VAL 2 2HG2 VAL 2 -15.401 -0.175 -2.533 17 H GLN 3 H GLN 3 -11.636 3.070 -4.394 18 HA GLN 3 HA GLN 3 -12.609 3.325 -7.006 19 HB2 GLN 3 2HB GLN 3 -9.901 3.423 -5.751 20 HB3 GLN 3 1HB GLN 3 -10.012 3.348 -7.505 21 HG2 GLN 3 2HG GLN 3 -10.065 5.582 -7.333 22 HG3 GLN 3 1HG GLN 3 -11.778 5.313 -7.011 23 HE21 GLN 3 1HE2 GLN 3 -12.321 6.794 -5.561 24 HE22 GLN 3 2HE2 GLN 3 -11.507 7.084 -4.065 25 H ILE 4 H ILE 4 -11.065 2.297 -8.852 26 HA ILE 4 HA ILE 4 -11.448 -0.601 -8.569 27 HB ILE 4 HB ILE 4 -12.653 0.520 -10.420 28 HG12 ILE 4 2HG1 ILE 4 -11.027 -1.023 -12.155 29 HG13 ILE 4 1HG1 ILE 4 -10.964 -1.795 -10.573 30 HG21 ILE 4 1HG2 ILE 4 -10.455 2.034 -10.748 31 HG22 ILE 4 2HG2 ILE 4 -11.682 1.809 -11.995 32 HG23 ILE 4 3HG2 ILE 4 -10.206 0.846 -12.027 33 HD11 ILE 4 3HD1 ILE 4 -12.749 -2.694 -11.978 34 HD12 ILE 4 1HD1 ILE 4 -13.480 -1.092 -12.066 35 HD13 ILE 4 2HD1 ILE 4 -13.380 -1.931 -10.519 36 H LEU 5 H LEU 5 -9.132 0.803 -7.499 37 HA LEU 5 HA LEU 5 -7.093 -0.885 -8.618 38 HB2 LEU 5 2HB LEU 5 -7.161 1.185 -10.090 39 HB3 LEU 5 1HB LEU 5 -6.596 2.084 -8.695 40 HG LEU 5 HG LEU 5 -4.688 0.241 -8.719 41 HD11 LEU 5 1HD1 LEU 5 -4.069 -0.286 -11.054 42 HD12 LEU 5 2HD1 LEU 5 -5.621 0.361 -11.582 43 HD13 LEU 5 3HD1 LEU 5 -5.567 -1.064 -10.542 44 HD21 LEU 5 3HD2 LEU 5 -3.549 1.849 -10.484 45 HD22 LEU 5 1HD2 LEU 5 -3.907 2.377 -8.840 46 HD23 LEU 5 2HD2 LEU 5 -4.988 2.818 -10.162 47 H ARG 6 H ARG 6 -8.440 -0.383 -6.053 48 HA ARG 6 HA ARG 6 -6.849 1.002 -4.238 49 HB2 ARG 6 2HB ARG 6 -8.062 -0.085 -2.539 50 HB3 ARG 6 1HB ARG 6 -9.175 0.018 -3.893 51 HG2 ARG 6 2HG ARG 6 -7.562 -2.428 -3.194 52 HG3 ARG 6 1HG ARG 6 -9.237 -2.153 -2.710 53 HD2 ARG 6 2HD ARG 6 -8.225 -2.292 -5.549 54 HD3 ARG 6 1HD ARG 6 -9.080 -3.578 -4.699 55 HE ARG 6 HE ARG 6 -10.224 -1.220 -5.881 56 HH11 ARG 6 1HH1 ARG 6 -10.655 -3.714 -3.479 57 HH12 ARG 6 2HH1 ARG 6 -12.380 -3.561 -3.448 58 HH21 ARG 6 1HH2 ARG 6 -12.492 -1.017 -5.842 59 HH22 ARG 6 2HH2 ARG 6 -13.423 -2.031 -4.791 60 H CYS 7 H CYS 7 -5.480 0.080 -2.512 61 HA CYS 7 HA CYS 7 -3.603 -1.836 -3.661 62 HB2 CYS 7 2HB CYS 7 -3.400 0.047 -1.308 63 HB3 CYS 7 1HB CYS 7 -2.145 -1.110 -1.735 64 HA PRO 8 HA PRO 8 -4.628 -5.372 -1.269 65 HB2 PRO 8 2HB PRO 8 -1.810 -5.354 -0.305 66 HB3 PRO 8 1HB PRO 8 -2.736 -6.661 -1.050 67 HG2 PRO 8 2HG PRO 8 -0.890 -5.316 -2.436 68 HG3 PRO 8 1HG PRO 8 -2.395 -5.866 -3.193 69 HD2 PRO 8 2HD PRO 8 -1.584 -3.126 -2.364 70 HD3 PRO 8 1HD PRO 8 -2.628 -3.642 -3.701 71 H ASP 9 H ASP 9 -4.220 -6.323 1.024 72 HA ASP 9 HA ASP 9 -5.256 -4.529 2.909 73 HB2 ASP 9 2HB ASP 9 -4.641 -6.344 4.576 74 HB3 ASP 9 1HB ASP 9 -5.675 -6.843 3.241 75 H GLY 10 H GLY 10 -4.359 -3.249 4.437 76 HA2 GLY 10 2HA GLY 10 -2.664 -2.481 5.881 77 HA3 GLY 10 1HA GLY 10 -1.500 -3.458 4.998 78 H MET 11 H MET 11 -3.143 -2.042 2.603 79 HA MET 11 HA MET 11 -1.329 0.275 2.544 80 HB2 MET 11 2HB MET 11 -2.545 -1.200 0.204 81 HB3 MET 11 1HB MET 11 -1.382 0.116 0.114 82 HG2 MET 11 2HG MET 11 0.160 -1.417 1.470 83 HG3 MET 11 1HG MET 11 -0.962 -2.703 1.029 84 HE1 MET 11 3HE MET 11 2.560 -2.388 -0.438 85 HE2 MET 11 1HE MET 11 1.715 -3.790 -1.095 86 HE3 MET 11 2HE MET 11 1.499 -3.344 0.597 87 H GLN 12 H GLN 12 -2.172 2.260 2.397 88 HA GLN 12 HA GLN 12 -5.077 2.475 1.967 89 HB2 GLN 12 2HB GLN 12 -3.169 3.897 3.748 90 HB3 GLN 12 1HB GLN 12 -4.495 4.839 3.079 91 HG2 GLN 12 2HG GLN 12 -5.510 4.127 4.965 92 HG3 GLN 12 1HG GLN 12 -5.892 2.750 3.934 93 HE21 GLN 12 1HE2 GLN 12 -4.706 3.652 6.871 94 HE22 GLN 12 2HE2 GLN 12 -3.851 2.209 7.290 95 H MET 13 H MET 13 -5.071 2.677 -0.265 96 HA MET 13 HA MET 13 -3.439 4.720 -1.521 97 HB2 MET 13 2HB MET 13 -4.167 2.366 -2.462 98 HB3 MET 13 1HB MET 13 -5.600 3.249 -2.971 99 HG2 MET 13 2HG MET 13 -4.094 4.864 -4.135 100 HG3 MET 13 1HG MET 13 -2.747 3.790 -3.753 101 HE1 MET 13 3HE MET 13 -2.145 1.683 -5.826 102 HE2 MET 13 1HE MET 13 -1.876 3.422 -5.712 103 HE3 MET 13 2HE MET 13 -2.571 2.732 -7.179 104 H LEU 14 H LEU 14 -4.347 6.419 -2.839 105 HA LEU 14 HA LEU 14 -6.969 7.328 -1.842 106 HB2 LEU 14 2HB LEU 14 -5.988 9.644 -2.520 107 HB3 LEU 14 1HB LEU 14 -5.548 8.917 -0.986 108 HG LEU 14 HG LEU 14 -3.801 8.455 -3.367 109 HD11 LEU 14 1HD1 LEU 14 -2.935 10.521 -3.435 110 HD12 LEU 14 2HD1 LEU 14 -3.064 10.741 -1.690 111 HD13 LEU 14 3HD1 LEU 14 -4.471 11.009 -2.718 112 HD21 LEU 14 3HD2 LEU 14 -3.666 7.468 -0.909 113 HD22 LEU 14 1HD2 LEU 14 -2.831 8.994 -0.614 114 HD23 LEU 14 2HD2 LEU 14 -2.220 7.875 -1.833 115 H ARG 15 H ARG 15 -8.174 8.743 -3.326 116 HA ARG 15 HA ARG 15 -8.607 7.556 -5.802 117 HB2 ARG 15 2HB ARG 15 -10.187 9.061 -4.538 118 HB3 ARG 15 1HB ARG 15 -9.247 10.428 -5.121 119 HG2 ARG 15 2HG ARG 15 -9.827 9.957 -7.385 120 HG3 ARG 15 1HG ARG 15 -10.568 8.421 -6.932 121 HD2 ARG 15 2HD ARG 15 -12.478 9.605 -6.951 122 HD3 ARG 15 1HD ARG 15 -11.947 10.139 -5.356 123 HE ARG 15 HE ARG 15 -11.727 12.235 -6.213 124 HH11 ARG 15 1HH1 ARG 15 -11.552 9.962 -8.856 125 HH12 ARG 15 2HH1 ARG 15 -11.474 11.192 -10.073 126 HH21 ARG 15 1HH2 ARG 15 -11.624 13.854 -7.812 127 HH22 ARG 15 2HH2 ARG 15 -11.514 13.401 -9.480 128 H SER 16 H SER 16 -6.417 10.111 -4.879 129 HA SER 16 HA SER 16 -5.871 11.194 -7.405 130 HB2 SER 16 2HB SER 16 -4.532 11.163 -4.764 131 HB3 SER 16 1HB SER 16 -3.494 11.502 -6.149 132 HG SER 16 HG SER 16 -4.356 13.404 -6.276 133 H GLY 17 H GLY 17 -4.647 8.330 -5.779 134 HA2 GLY 17 2HA GLY 17 -4.068 6.554 -7.494 135 HA3 GLY 17 1HA GLY 17 -2.972 7.762 -8.145 136 H GLN 18 H GLN 18 -2.325 8.706 -5.387 137 HA GLN 18 HA GLN 18 -0.002 7.211 -4.973 138 HB2 GLN 18 2HB GLN 18 -1.521 9.127 -3.217 139 HB3 GLN 18 1HB GLN 18 -0.037 8.356 -2.674 140 HG2 GLN 18 2HG GLN 18 1.168 9.340 -4.552 141 HG3 GLN 18 1HG GLN 18 -0.321 10.106 -5.107 142 HE21 GLN 18 1HE2 GLN 18 2.127 11.404 -4.408 143 HE22 GLN 18 2HE2 GLN 18 1.788 12.454 -3.077 144 H CYS 19 H CYS 19 0.570 5.637 -3.498 145 HA CYS 19 HA CYS 19 -1.667 4.275 -2.150 146 HB2 CYS 19 2HB CYS 19 -0.782 2.993 -4.073 147 HB3 CYS 19 1HB CYS 19 0.814 3.008 -3.331 148 H VAL 20 H VAL 20 -1.527 4.568 -0.029 149 HA VAL 20 HA VAL 20 1.022 5.094 1.242 150 HB VAL 20 HB VAL 20 -1.689 4.827 2.547 151 HG11 VAL 20 1HG1 VAL 20 0.681 4.816 3.784 152 HG12 VAL 20 2HG1 VAL 20 -0.757 5.569 4.475 153 HG13 VAL 20 3HG1 VAL 20 0.444 6.558 3.645 154 HG21 VAL 20 3HG2 VAL 20 -0.607 7.519 2.179 155 HG22 VAL 20 1HG2 VAL 20 -2.243 6.909 1.931 156 HG23 VAL 20 2HG2 VAL 20 -1.027 6.707 0.670 157 H ALA 21 H ALA 21 1.409 2.703 0.318 158 HA ALA 21 HA ALA 21 0.444 0.512 1.789 159 HB1 ALA 21 1HB ALA 21 1.616 0.449 -0.443 160 HB2 ALA 21 2HB ALA 21 2.119 -0.777 0.721 161 HB3 ALA 21 3HB ALA 21 3.130 0.641 0.442 162 H THR 22 H THR 22 0.900 -0.216 3.764 163 HA THR 22 HA THR 22 2.971 1.126 5.303 164 HB THR 22 HB THR 22 1.195 -1.014 6.418 165 HG1 THR 22 1HG THR 22 -0.484 0.364 6.554 166 HG21 THR 22 3HG2 THR 22 1.158 0.515 8.369 167 HG22 THR 22 1HG2 THR 22 2.317 1.544 7.530 168 HG23 THR 22 2HG2 THR 22 2.760 -0.105 7.971 169 H THR 23 H THR 23 3.637 -0.832 3.192 170 HA THR 23 HA THR 23 5.600 -2.309 4.675 171 HB THR 23 HB THR 23 3.756 -3.852 4.942 172 HG1 THR 23 1HG THR 23 5.673 -4.887 4.535 173 HG21 THR 23 3HG2 THR 23 3.188 -4.864 2.439 174 HG22 THR 23 1HG2 THR 23 3.126 -3.115 2.219 175 HG23 THR 23 2HG2 THR 23 2.122 -3.886 3.447 176 H GLU 24 H GLU 24 5.613 -0.292 2.655 177 HA GLU 24 HA GLU 24 6.007 -1.197 0.060 178 HB2 GLU 24 2HB GLU 24 6.604 1.205 1.583 179 HB3 GLU 24 1HB GLU 24 7.840 0.877 0.376 180 HG2 GLU 24 2HG GLU 24 6.359 1.083 -1.389 181 HG3 GLU 24 1HG GLU 24 4.950 0.803 -0.368 182 HA PRO 25 HA PRO 25 10.713 -1.739 0.908 183 HB2 PRO 25 2HB PRO 25 11.604 -1.548 3.461 184 HB3 PRO 25 1HB PRO 25 11.477 -0.153 2.383 185 HG2 PRO 25 2HG PRO 25 9.601 -1.064 4.531 186 HG3 PRO 25 1HG PRO 25 10.161 0.577 4.156 187 HD2 PRO 25 2HD PRO 25 7.741 -0.355 3.370 188 HD3 PRO 25 1HD PRO 25 8.666 0.825 2.420 189 HA PRO 26 HA PRO 26 9.548 -5.902 2.310 190 HB2 PRO 26 2HB PRO 26 10.928 -7.259 0.451 191 HB3 PRO 26 1HB PRO 26 9.402 -6.454 0.070 192 HG2 PRO 26 2HG PRO 26 12.205 -5.546 -0.455 193 HG3 PRO 26 1HG PRO 26 10.786 -5.463 -1.514 194 HD2 PRO 26 2HD PRO 26 11.713 -3.347 -0.041 195 HD3 PRO 26 1HD PRO 26 10.019 -3.538 -0.536 196 H PHE 27 H PHE 27 10.535 -6.958 3.920 197 HA PHE 27 HA PHE 27 13.377 -7.471 3.852 198 HB2 PHE 27 2HB PHE 27 12.384 -5.213 5.271 199 HB3 PHE 27 1HB PHE 27 12.895 -6.408 6.459 200 HD1 PHE 27 2HD PHE 27 13.992 -4.323 3.634 201 HD2 PHE 27 1HD PHE 27 15.194 -6.917 6.786 202 HE1 PHE 27 2HE PHE 27 16.331 -3.643 3.296 203 HE2 PHE 27 1HE PHE 27 17.537 -6.240 6.455 204 HZ PHE 27 HZ PHE 27 18.108 -4.602 4.708 205 H ASP 28 H ASP 28 13.012 -9.640 3.969 206 HA ASP 28 HA ASP 28 11.118 -10.904 5.608 207 HB2 ASP 28 2HB ASP 28 13.366 -11.715 3.920 208 HB3 ASP 28 1HB ASP 28 13.127 -12.778 5.304 209 HA PRO 29 HA PRO 29 14.967 -11.687 8.625 210 HB2 PRO 29 2HB PRO 29 16.327 -9.103 8.028 211 HB3 PRO 29 1HB PRO 29 17.024 -10.675 8.442 212 HG2 PRO 29 2HG PRO 29 17.090 -9.780 5.936 213 HG3 PRO 29 1HG PRO 29 16.794 -11.495 6.285 214 HD2 PRO 29 2HD PRO 29 14.873 -9.370 5.447 215 HD3 PRO 29 1HD PRO 29 14.908 -11.093 5.024 216 H ASP 30 H ASP 30 13.088 -11.276 9.914 217 HA ASP 30 HA ASP 30 12.739 -8.526 10.848 218 HB2 ASP 30 2HB ASP 30 10.866 -10.346 10.148 219 HB3 ASP 30 1HB ASP 30 10.967 -10.663 11.877 220 H SER 31 H SER 31 15.074 -9.952 11.636 221 HA SER 31 HA SER 31 14.892 -9.598 14.472 222 HB2 SER 31 2HB SER 31 14.018 -11.971 14.026 223 HB3 SER 31 1HB SER 31 15.677 -12.370 13.581 224 HG SER 31 HG SER 31 15.928 -12.658 15.645 225 H TYR 32 H TYR 32 16.404 -8.465 12.334 226 HA TYR 32 HA TYR 32 18.521 -7.816 11.815 227 HB2 TYR 32 2HB TYR 32 18.644 -7.287 14.189 228 HB3 TYR 32 1HB TYR 32 19.079 -8.950 14.563 229 HD1 TYR 32 2HD TYR 32 20.310 -6.410 12.103 230 HD2 TYR 32 1HD TYR 32 21.274 -9.131 15.229 231 HE1 TYR 32 2HE TYR 32 22.688 -5.836 11.862 232 HE2 TYR 32 1HE TYR 32 23.656 -8.563 14.996 233 HH TYR 32 HH TYR 32 25.166 -7.651 13.216
Contact the webmaster for help, if required. Saturday, June 1, 2024 1:48:24 AM GMT (wattos1)