NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504861 | 2en9 | 10170 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 11.089 -21.610 -8.043 2 HA2 GLY 1 1HA GLY 1 10.716 -24.106 -6.664 3 HA3 GLY 1 2HA GLY 1 11.932 -23.086 -5.908 4 H SER 2 H SER 2 8.622 -23.746 -6.218 5 HA SER 2 HA SER 2 7.811 -21.163 -5.118 6 HB2 SER 2 1HB SER 2 6.348 -23.486 -6.324 7 HB3 SER 2 2HB SER 2 5.480 -22.355 -5.286 8 HG SER 2 HG SER 2 6.730 -20.783 -6.833 9 H SER 3 H SER 3 8.393 -21.111 -3.005 10 HA SER 3 HA SER 3 7.460 -23.315 -1.289 11 HB2 SER 3 1HB SER 3 9.705 -21.330 -0.871 12 HB3 SER 3 2HB SER 3 9.151 -22.465 0.360 13 HG SER 3 HG SER 3 9.735 -23.567 -2.109 14 H GLY 4 H GLY 4 5.618 -21.411 -2.114 15 HA2 GLY 4 1HA GLY 4 5.264 -19.157 -0.556 16 HA3 GLY 4 2HA GLY 4 3.947 -20.115 -1.215 17 H SER 5 H SER 5 5.590 -19.149 1.595 18 HA SER 5 HA SER 5 4.103 -21.122 3.201 19 HB2 SER 5 1HB SER 5 5.771 -20.822 4.950 20 HB3 SER 5 2HB SER 5 6.572 -21.246 3.437 21 HG SER 5 HG SER 5 7.490 -19.437 4.679 22 H SER 6 H SER 6 5.100 -17.731 3.007 23 HA SER 6 HA SER 6 3.304 -16.984 5.161 24 HB2 SER 6 1HB SER 6 4.184 -14.719 4.830 25 HB3 SER 6 2HB SER 6 5.502 -15.883 4.960 26 HG SER 6 HG SER 6 5.666 -15.843 2.687 27 H GLY 7 H GLY 7 3.712 -16.011 1.748 28 HA2 GLY 7 1HA GLY 7 0.796 -15.885 1.496 29 HA3 GLY 7 2HA GLY 7 1.708 -14.420 1.163 30 H ALA 8 H ALA 8 2.338 -14.093 -0.865 31 HA ALA 8 HA ALA 8 2.924 -14.465 -3.038 32 HB1 ALA 8 3HB ALA 8 3.109 -17.351 -3.041 33 HB2 ALA 8 1HB ALA 8 4.355 -16.140 -3.345 34 HB3 ALA 8 2HB ALA 8 3.998 -16.643 -1.692 35 H GLY 9 H GLY 9 0.221 -14.328 -2.315 36 HA2 GLY 9 1HA GLY 9 -0.962 -15.602 -4.617 37 HA3 GLY 9 2HA GLY 9 -1.540 -16.243 -3.086 38 H LYS 10 H LYS 10 -3.356 -15.143 -4.737 39 HA LYS 10 HA LYS 10 -4.841 -13.416 -5.067 40 HB2 LYS 10 1HB LYS 10 -5.997 -12.807 -3.037 41 HB3 LYS 10 2HB LYS 10 -5.543 -14.503 -2.947 42 HG2 LYS 10 1HG LYS 10 -4.000 -14.149 -1.294 43 HG3 LYS 10 2HG LYS 10 -3.717 -12.472 -1.767 44 HD2 LYS 10 1HD LYS 10 -6.321 -13.409 -0.585 45 HD3 LYS 10 2HD LYS 10 -4.976 -12.840 0.406 46 HE2 LYS 10 1HE LYS 10 -5.919 -11.149 -1.861 47 HE3 LYS 10 2HE LYS 10 -6.877 -11.200 -0.381 48 HZ1 LYS 10 3HZ LYS 10 -5.496 -9.569 0.248 49 HZ2 LYS 10 1HZ LYS 10 -4.297 -9.984 -0.871 50 HZ3 LYS 10 2HZ LYS 10 -4.415 -10.824 0.591 51 H LYS 11 H LYS 11 -2.259 -12.483 -5.491 52 HA LYS 11 HA LYS 11 -2.160 -9.880 -4.141 53 HB2 LYS 11 1HB LYS 11 -0.145 -11.570 -4.493 54 HB3 LYS 11 2HB LYS 11 -0.047 -10.766 -6.053 55 HG2 LYS 11 1HG LYS 11 -0.163 -9.137 -3.557 56 HG3 LYS 11 2HG LYS 11 1.353 -9.897 -4.046 57 HD2 LYS 11 1HD LYS 11 -0.286 -8.141 -5.864 58 HD3 LYS 11 2HD LYS 11 1.022 -7.534 -4.846 59 HE2 LYS 11 1HE LYS 11 1.254 -9.620 -7.013 60 HE3 LYS 11 2HE LYS 11 1.822 -7.954 -7.102 61 HZ1 LYS 11 3HZ LYS 11 3.719 -8.588 -6.190 62 HZ2 LYS 11 1HZ LYS 11 3.177 -10.188 -6.113 63 HZ3 LYS 11 2HZ LYS 11 2.910 -9.142 -4.811 64 H LEU 12 H LEU 12 -2.352 -7.969 -5.224 65 HA LEU 12 HA LEU 12 -2.862 -8.108 -8.120 66 HB2 LEU 12 1HB LEU 12 -4.400 -6.019 -7.392 67 HB3 LEU 12 2HB LEU 12 -4.993 -7.668 -7.579 68 HG LEU 12 HG LEU 12 -5.841 -6.604 -5.542 69 HD11 LEU 12 1HD1 LEU 12 -5.859 -8.597 -4.562 70 HD12 LEU 12 2HD1 LEU 12 -4.126 -8.532 -4.243 71 HD13 LEU 12 3HD1 LEU 12 -4.715 -9.131 -5.793 72 HD21 LEU 12 3HD2 LEU 12 -3.400 -5.441 -5.336 73 HD22 LEU 12 1HD2 LEU 12 -3.263 -6.733 -4.143 74 HD23 LEU 12 2HD2 LEU 12 -4.568 -5.553 -4.019 75 H PHE 13 H PHE 13 -1.640 -6.303 -5.389 76 HA PHE 13 HA PHE 13 -0.172 -4.579 -7.259 77 HB2 PHE 13 1HB PHE 13 -1.214 -3.479 -4.664 78 HB3 PHE 13 2HB PHE 13 -0.669 -2.608 -6.094 79 HD1 PHE 13 HD2 PHE 13 -2.151 -3.691 -8.268 80 HD2 PHE 13 HD1 PHE 13 -3.421 -3.009 -4.264 81 HE1 PHE 13 HE2 PHE 13 -4.479 -3.505 -9.042 82 HE2 PHE 13 HE1 PHE 13 -5.751 -2.822 -5.030 83 HZ PHE 13 HZ PHE 13 -6.283 -3.069 -7.422 84 H LYS 14 H LYS 14 1.942 -4.417 -6.836 85 HA LYS 14 HA LYS 14 2.915 -5.072 -4.148 86 HB2 LYS 14 1HB LYS 14 3.434 -7.114 -5.029 87 HB3 LYS 14 2HB LYS 14 3.502 -6.506 -6.678 88 HG2 LYS 14 1HG LYS 14 5.700 -5.859 -6.496 89 HG3 LYS 14 2HG LYS 14 5.621 -5.707 -4.739 90 HD2 LYS 14 1HD LYS 14 5.373 -8.201 -4.628 91 HD3 LYS 14 2HD LYS 14 5.702 -8.247 -6.362 92 HE2 LYS 14 1HE LYS 14 7.595 -6.801 -4.571 93 HE3 LYS 14 2HE LYS 14 7.631 -8.564 -4.600 94 HZ1 LYS 14 3HZ LYS 14 7.833 -6.877 -7.032 95 HZ2 LYS 14 1HZ LYS 14 8.088 -8.545 -6.918 96 HZ3 LYS 14 2HZ LYS 14 9.174 -7.472 -6.191 97 H CYS 15 H CYS 15 4.546 -3.808 -3.453 98 HA CYS 15 HA CYS 15 5.343 -1.590 -5.126 99 HB2 CYS 15 1HB CYS 15 4.786 -1.265 -2.737 100 HB3 CYS 15 2HB CYS 15 6.160 -2.272 -2.294 101 H ASN 16 H ASN 16 7.084 -1.564 -6.372 102 HA ASN 16 HA ASN 16 9.036 -3.692 -6.192 103 HB2 ASN 16 1HB ASN 16 8.136 -2.837 -8.375 104 HB3 ASN 16 2HB ASN 16 9.005 -1.333 -8.084 105 HD21 ASN 16 1HD2 ASN 16 10.119 -1.763 -10.056 106 HD22 ASN 16 2HD2 ASN 16 11.450 -2.864 -10.081 107 H GLU 17 H GLU 17 8.947 -1.848 -3.980 108 HA GLU 17 HA GLU 17 11.697 -0.823 -4.146 109 HB2 GLU 17 1HB GLU 17 9.526 0.610 -2.628 110 HB3 GLU 17 2HB GLU 17 11.136 1.191 -3.027 111 HG2 GLU 17 1HG GLU 17 10.244 0.838 -5.495 112 HG3 GLU 17 2HG GLU 17 8.692 1.071 -4.694 113 H CYS 18 H CYS 18 9.039 -1.898 -2.083 114 HA CYS 18 HA CYS 18 11.031 -2.906 -0.171 115 HB2 CYS 18 1HB CYS 18 9.631 -2.238 1.706 116 HB3 CYS 18 2HB CYS 18 10.038 -0.830 0.731 117 H LYS 19 H LYS 19 9.228 -4.005 -2.372 118 HA LYS 19 HA LYS 19 7.762 -5.737 -2.727 119 HB2 LYS 19 1HB LYS 19 9.727 -6.725 -0.681 120 HB3 LYS 19 2HB LYS 19 8.460 -7.784 -1.286 121 HG2 LYS 19 1HG LYS 19 10.264 -8.276 -2.649 122 HG3 LYS 19 2HG LYS 19 9.328 -7.138 -3.620 123 HD2 LYS 19 1HD LYS 19 11.451 -6.279 -3.853 124 HD3 LYS 19 2HD LYS 19 10.863 -5.357 -2.467 125 HE2 LYS 19 1HE LYS 19 12.900 -6.027 -1.671 126 HE3 LYS 19 2HE LYS 19 11.896 -7.366 -1.117 127 HZ1 LYS 19 3HZ LYS 19 13.318 -8.673 -2.187 128 HZ2 LYS 19 1HZ LYS 19 14.058 -7.375 -2.981 129 HZ3 LYS 19 2HZ LYS 19 12.671 -8.087 -3.636 130 H LYS 20 H LYS 20 6.333 -3.990 -1.377 131 HA LYS 20 HA LYS 20 5.090 -5.466 0.847 132 HB2 LYS 20 1HB LYS 20 5.980 -3.201 1.380 133 HB3 LYS 20 2HB LYS 20 4.864 -2.520 0.203 134 HG2 LYS 20 1HG LYS 20 3.902 -2.227 2.348 135 HG3 LYS 20 2HG LYS 20 2.991 -3.504 1.538 136 HD2 LYS 20 1HD LYS 20 3.323 -4.336 3.694 137 HD3 LYS 20 2HD LYS 20 4.585 -5.122 2.743 138 HE2 LYS 20 1HE LYS 20 5.220 -2.527 4.048 139 HE3 LYS 20 2HE LYS 20 5.098 -3.960 5.068 140 HZ1 LYS 20 3HZ LYS 20 7.287 -4.037 4.494 141 HZ2 LYS 20 1HZ LYS 20 7.049 -3.327 2.977 142 HZ3 LYS 20 2HZ LYS 20 6.645 -4.951 3.224 143 H THR 21 H THR 21 2.734 -5.303 1.029 144 HA THR 21 HA THR 21 1.361 -4.832 -1.523 145 HB THR 21 HB THR 21 -0.040 -6.913 -0.995 146 HG1 THR 21 HG1 THR 21 2.134 -7.214 0.784 147 HG21 THR 21 3HG2 THR 21 2.673 -6.753 -2.144 148 HG22 THR 21 1HG2 THR 21 1.170 -7.329 -2.863 149 HG23 THR 21 2HG2 THR 21 2.089 -8.378 -1.783 150 H PHE 22 H PHE 22 -0.939 -4.519 -1.323 151 HA PHE 22 HA PHE 22 -1.919 -4.001 1.387 152 HB2 PHE 22 1HB PHE 22 -2.009 -1.996 -0.877 153 HB3 PHE 22 2HB PHE 22 -2.851 -1.816 0.659 154 HD1 PHE 22 HD1 PHE 22 0.497 -2.072 -0.889 155 HD2 PHE 22 HD2 PHE 22 -1.753 -0.969 2.552 156 HE1 PHE 22 HE1 PHE 22 2.498 -1.014 0.077 157 HE2 PHE 22 HE2 PHE 22 0.244 0.090 3.523 158 HZ PHE 22 HZ PHE 22 2.373 0.070 2.285 159 H THR 23 H THR 23 -3.825 -4.937 1.651 160 HA THR 23 HA THR 23 -5.234 -6.476 -0.004 161 HB THR 23 HB THR 23 -6.539 -4.530 1.910 162 HG1 THR 23 HG1 THR 23 -5.373 -5.704 3.257 163 HG21 THR 23 3HG2 THR 23 -8.486 -5.679 1.711 164 HG22 THR 23 1HG2 THR 23 -7.676 -7.213 1.399 165 HG23 THR 23 2HG2 THR 23 -7.849 -6.028 0.104 166 H GLN 24 H GLN 24 -5.321 -2.965 -0.021 167 HA GLN 24 HA GLN 24 -6.870 -3.085 -2.520 168 HB2 GLN 24 1HB GLN 24 -7.177 -1.129 -0.242 169 HB3 GLN 24 2HB GLN 24 -7.862 -0.866 -1.840 170 HG2 GLN 24 1HG GLN 24 -8.473 -3.314 -0.218 171 HG3 GLN 24 2HG GLN 24 -9.395 -1.820 -0.064 172 HE21 GLN 24 1HE2 GLN 24 -9.107 -4.721 -1.691 173 HE22 GLN 24 2HE2 GLN 24 -10.179 -4.394 -3.006 174 H SER 25 H SER 25 -6.633 -1.034 -3.820 175 HA SER 25 HA SER 25 -3.850 -0.526 -4.215 176 HB2 SER 25 1HB SER 25 -4.595 0.928 -6.055 177 HB3 SER 25 2HB SER 25 -5.421 -0.629 -6.104 178 HG SER 25 HG SER 25 -7.133 0.517 -4.875 179 H SER 26 H SER 26 -6.588 1.585 -3.341 180 HA SER 26 HA SER 26 -5.376 3.977 -2.996 181 HB2 SER 26 1HB SER 26 -7.746 3.703 -2.575 182 HB3 SER 26 2HB SER 26 -7.418 2.704 -1.159 183 HG SER 26 HG SER 26 -7.903 4.890 -0.621 184 H SER 27 H SER 27 -5.358 1.321 -0.643 185 HA SER 27 HA SER 27 -3.947 2.627 1.389 186 HB2 SER 27 1HB SER 27 -4.145 -0.294 0.647 187 HB3 SER 27 2HB SER 27 -3.288 0.269 2.082 188 HG SER 27 HG SER 27 -5.240 0.022 2.896 189 H LEU 28 H LEU 28 -2.780 0.663 -1.324 190 HA LEU 28 HA LEU 28 -0.042 0.802 -0.637 191 HB2 LEU 28 1HB LEU 28 -0.580 -0.908 -2.108 192 HB3 LEU 28 2HB LEU 28 -1.558 0.145 -3.128 193 HG LEU 28 HG LEU 28 0.539 1.223 -3.923 194 HD11 LEU 28 1HD1 LEU 28 1.692 0.034 -1.742 195 HD12 LEU 28 2HD1 LEU 28 2.559 0.741 -3.105 196 HD13 LEU 28 3HD1 LEU 28 2.234 -0.992 -3.071 197 HD21 LEU 28 3HD2 LEU 28 1.213 -1.432 -4.707 198 HD22 LEU 28 1HD2 LEU 28 0.355 -0.191 -5.620 199 HD23 LEU 28 2HD2 LEU 28 -0.542 -1.303 -4.587 200 H THR 29 H THR 29 -2.075 2.748 -2.786 201 HA THR 29 HA THR 29 -0.193 4.348 -3.991 202 HB THR 29 HB THR 29 -2.913 5.198 -2.978 203 HG1 THR 29 HG1 THR 29 -2.031 4.181 -5.492 204 HG21 THR 29 3HG2 THR 29 -1.044 6.935 -3.740 205 HG22 THR 29 1HG2 THR 29 -2.745 7.147 -4.155 206 HG23 THR 29 2HG2 THR 29 -1.627 6.465 -5.336 207 H VAL 30 H VAL 30 -1.935 5.169 -0.983 208 HA VAL 30 HA VAL 30 -0.502 7.462 -0.349 209 HB VAL 30 HB VAL 30 -2.571 6.805 0.804 210 HG11 VAL 30 1HG1 VAL 30 -1.983 5.171 2.845 211 HG12 VAL 30 2HG1 VAL 30 -2.618 4.595 1.302 212 HG13 VAL 30 3HG1 VAL 30 -0.886 4.520 1.628 213 HG21 VAL 30 3HG2 VAL 30 -0.674 6.947 3.059 214 HG22 VAL 30 1HG2 VAL 30 -0.510 8.200 1.829 215 HG23 VAL 30 2HG2 VAL 30 -2.048 7.979 2.663 216 H HIS 31 H HIS 31 0.449 4.163 -0.164 217 HA HIS 31 HA HIS 31 2.594 4.636 1.725 218 HB2 HIS 31 1HB HIS 31 1.864 2.479 2.015 219 HB3 HIS 31 2HB HIS 31 1.473 2.267 0.311 220 HD1 HIS 31 HD1 HIS 31 4.310 2.014 2.741 221 HD2 HIS 31 HD2 HIS 31 3.541 1.269 -1.273 222 HE1 HIS 31 HE1 HIS 31 6.285 0.696 1.911 223 H GLN 32 H GLN 32 2.124 4.554 -1.708 224 HA GLN 32 HA GLN 32 4.816 4.137 -2.480 225 HB2 GLN 32 1HB GLN 32 2.548 4.099 -3.851 226 HB3 GLN 32 2HB GLN 32 2.981 5.773 -4.170 227 HG2 GLN 32 1HG GLN 32 3.849 4.575 -5.972 228 HG3 GLN 32 2HG GLN 32 5.236 4.884 -4.928 229 HE21 GLN 32 1HE2 GLN 32 2.659 2.449 -5.164 230 HE22 GLN 32 2HE2 GLN 32 3.707 1.082 -5.034 231 H ARG 33 H ARG 33 2.904 7.045 -1.858 232 HA ARG 33 HA ARG 33 4.496 9.048 -2.757 233 HB2 ARG 33 1HB ARG 33 3.042 8.914 -0.111 234 HB3 ARG 33 2HB ARG 33 3.714 10.390 -0.791 235 HG2 ARG 33 1HG ARG 33 2.181 10.407 -2.562 236 HG3 ARG 33 2HG ARG 33 1.723 8.724 -2.290 237 HD2 ARG 33 1HD ARG 33 0.405 9.237 -0.472 238 HD3 ARG 33 2HD ARG 33 1.287 10.722 -0.120 239 HE ARG 33 HE ARG 33 -0.926 10.398 -1.950 240 HH11 ARG 33 1HH1 ARG 33 1.763 12.377 -0.961 241 HH12 ARG 33 2HH1 ARG 33 1.117 13.828 -1.654 242 HH21 ARG 33 1HH2 ARG 33 -1.786 12.302 -2.866 243 HH22 ARG 33 2HH2 ARG 33 -0.901 13.784 -2.736 244 H ILE 34 H ILE 34 4.948 7.237 0.257 245 HA ILE 34 HA ILE 34 7.057 8.639 1.356 246 HB ILE 34 HB ILE 34 6.515 5.673 1.402 247 HG12 ILE 34 1HG1 ILE 34 5.867 6.324 3.809 248 HG13 ILE 34 2HG1 ILE 34 5.867 7.983 3.222 249 HG21 ILE 34 1HG2 ILE 34 8.050 6.493 3.641 250 HG22 ILE 34 2HG2 ILE 34 8.474 5.333 2.383 251 HG23 ILE 34 3HG2 ILE 34 8.878 7.037 2.182 252 HD11 ILE 34 3HD1 ILE 34 3.659 6.649 3.280 253 HD12 ILE 34 1HD1 ILE 34 4.031 7.640 1.870 254 HD13 ILE 34 2HD1 ILE 34 4.273 5.894 1.810 255 H HIS 35 H HIS 35 7.262 5.855 -0.862 256 HA HIS 35 HA HIS 35 10.086 5.992 -1.128 257 HB2 HIS 35 1HB HIS 35 8.074 4.712 -2.989 258 HB3 HIS 35 2HB HIS 35 9.803 4.383 -2.943 259 HD1 HIS 35 HD1 HIS 35 10.442 3.749 -0.160 260 HD2 HIS 35 HD2 HIS 35 6.802 2.644 -1.830 261 HE1 HIS 35 HE1 HIS 35 9.599 1.852 1.260 262 H THR 36 H THR 36 7.409 7.456 -2.832 263 HA THR 36 HA THR 36 9.246 8.610 -4.808 264 HB THR 36 HB THR 36 7.375 9.121 -6.165 265 HG1 THR 36 HG1 THR 36 5.482 8.236 -4.293 266 HG21 THR 36 3HG2 THR 36 6.333 6.571 -5.049 267 HG22 THR 36 1HG2 THR 36 7.997 6.591 -5.632 268 HG23 THR 36 2HG2 THR 36 6.676 7.017 -6.720 269 H GLY 37 H GLY 37 9.342 9.548 -2.116 270 HA2 GLY 37 1HA GLY 37 9.087 12.354 -2.601 271 HA3 GLY 37 2HA GLY 37 7.859 11.777 -1.484 272 H GLU 38 H GLU 38 10.915 10.175 -1.509 273 HA GLU 38 HA GLU 38 11.514 11.375 1.106 274 HB2 GLU 38 1HB GLU 38 11.952 8.684 -0.083 275 HB3 GLU 38 2HB GLU 38 13.160 9.269 1.053 276 HG2 GLU 38 1HG GLU 38 10.222 9.192 1.673 277 HG3 GLU 38 2HG GLU 38 11.323 7.863 2.027 278 H LYS 39 H LYS 39 13.744 11.813 1.645 279 HA LYS 39 HA LYS 39 15.086 13.519 0.071 280 HB2 LYS 39 1HB LYS 39 17.109 13.038 1.315 281 HB3 LYS 39 2HB LYS 39 15.723 12.958 2.395 282 HG2 LYS 39 1HG LYS 39 15.912 10.705 2.700 283 HG3 LYS 39 2HG LYS 39 16.657 10.442 1.122 284 HD2 LYS 39 1HD LYS 39 18.172 12.043 3.111 285 HD3 LYS 39 2HD LYS 39 18.044 10.304 3.387 286 HE2 LYS 39 1HE LYS 39 19.912 10.306 2.095 287 HE3 LYS 39 2HE LYS 39 18.706 10.250 0.811 288 HZ1 LYS 39 3HZ LYS 39 19.733 12.050 0.031 289 HZ2 LYS 39 1HZ LYS 39 20.572 12.326 1.474 290 HZ3 LYS 39 2HZ LYS 39 18.993 12.904 1.290 291 HA PRO 40 HA PRO 40 16.659 11.422 -3.460 292 HB2 PRO 40 1HB PRO 40 18.759 13.037 -4.051 293 HB3 PRO 40 2HB PRO 40 17.078 13.505 -4.333 294 HG2 PRO 40 1HG PRO 40 18.893 14.234 -2.066 295 HG3 PRO 40 2HG PRO 40 17.765 15.260 -2.971 296 HD2 PRO 40 1HD PRO 40 17.173 14.243 -0.532 297 HD3 PRO 40 2HD PRO 40 15.937 14.522 -1.775 298 H SER 41 H SER 41 17.353 9.491 -2.396 299 HA SER 41 HA SER 41 20.094 9.428 -1.396 300 HB2 SER 41 1HB SER 41 19.585 7.277 -0.506 301 HB3 SER 41 2HB SER 41 18.165 8.278 -0.202 302 HG SER 41 HG SER 41 17.741 6.141 -1.093 303 H GLY 42 H GLY 42 18.099 7.994 -3.948 304 HA2 GLY 42 1HA GLY 42 20.498 7.591 -5.550 305 HA3 GLY 42 2HA GLY 42 19.594 6.141 -5.138 306 HA PRO 43 HA PRO 43 17.856 8.492 -8.927 307 HB2 PRO 43 1HB PRO 43 19.006 7.046 -10.916 308 HB3 PRO 43 2HB PRO 43 19.736 8.511 -10.248 309 HG2 PRO 43 1HG PRO 43 20.348 5.644 -9.643 310 HG3 PRO 43 2HG PRO 43 21.466 6.998 -9.894 311 HD2 PRO 43 1HD PRO 43 20.814 6.083 -7.430 312 HD3 PRO 43 2HD PRO 43 21.185 7.790 -7.747 313 H SER 44 H SER 44 15.965 7.434 -8.080 314 HA SER 44 HA SER 44 15.373 4.729 -8.257 315 HB2 SER 44 1HB SER 44 13.489 7.086 -8.506 316 HB3 SER 44 2HB SER 44 12.991 5.422 -8.199 317 HG SER 44 HG SER 44 14.841 5.984 -6.422 318 H SER 45 H SER 45 14.259 7.251 -10.524 319 HA SER 45 HA SER 45 13.658 7.162 -12.718 320 HB2 SER 45 1HB SER 45 15.804 5.027 -12.731 321 HB3 SER 45 2HB SER 45 15.082 5.719 -14.184 322 HG SER 45 HG SER 45 17.148 6.649 -13.205 323 H GLY 46 H GLY 46 11.960 5.774 -11.022 324 HA2 GLY 46 1HA GLY 46 11.420 3.130 -11.945 325 HA3 GLY 46 2HA GLY 46 10.354 4.124 -10.963 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.617 -8.587 -5.441 2 HA2 GLY 1 1HA GLY 1 16.111 -10.026 -4.318 3 HA3 GLY 1 2HA GLY 1 15.137 -9.359 -5.621 4 H SER 2 H SER 2 14.572 -10.642 -7.361 5 HA SER 2 HA SER 2 15.646 -13.197 -7.885 6 HB2 SER 2 1HB SER 2 14.046 -14.674 -6.980 7 HB3 SER 2 2HB SER 2 14.384 -13.546 -5.667 8 HG SER 2 HG SER 2 12.062 -13.994 -7.019 9 H SER 3 H SER 3 14.485 -14.333 -9.581 10 HA SER 3 HA SER 3 13.314 -12.498 -11.446 11 HB2 SER 3 1HB SER 3 13.379 -14.303 -13.017 12 HB3 SER 3 2HB SER 3 14.853 -14.412 -12.054 13 HG SER 3 HG SER 3 13.838 -16.039 -10.819 14 H GLY 4 H GLY 4 11.224 -12.392 -12.182 15 HA2 GLY 4 1HA GLY 4 9.238 -13.774 -10.503 16 HA3 GLY 4 2HA GLY 4 8.968 -12.260 -11.353 17 H SER 5 H SER 5 7.083 -14.129 -11.635 18 HA SER 5 HA SER 5 7.256 -14.756 -14.456 19 HB2 SER 5 1HB SER 5 8.218 -16.749 -13.205 20 HB3 SER 5 2HB SER 5 6.606 -16.993 -12.533 21 HG SER 5 HG SER 5 5.851 -17.136 -14.723 22 H SER 6 H SER 6 5.181 -15.442 -15.351 23 HA SER 6 HA SER 6 2.925 -14.495 -13.706 24 HB2 SER 6 1HB SER 6 3.417 -14.231 -16.676 25 HB3 SER 6 2HB SER 6 1.852 -13.913 -15.928 26 HG SER 6 HG SER 6 4.296 -12.607 -15.305 27 H GLY 7 H GLY 7 2.170 -16.420 -12.925 28 HA2 GLY 7 1HA GLY 7 0.611 -18.023 -14.703 29 HA3 GLY 7 2HA GLY 7 2.056 -18.872 -14.174 30 H ALA 8 H ALA 8 2.232 -17.919 -11.553 31 HA ALA 8 HA ALA 8 -0.264 -18.923 -10.349 32 HB1 ALA 8 3HB ALA 8 0.799 -20.496 -9.157 33 HB2 ALA 8 1HB ALA 8 2.073 -20.317 -10.364 34 HB3 ALA 8 2HB ALA 8 2.184 -19.455 -8.829 35 H GLY 9 H GLY 9 -0.786 -16.624 -10.159 36 HA2 GLY 9 1HA GLY 9 0.330 -15.535 -7.675 37 HA3 GLY 9 2HA GLY 9 0.346 -14.517 -9.108 38 H LYS 10 H LYS 10 -1.049 -14.239 -6.495 39 HA LYS 10 HA LYS 10 -3.797 -14.016 -7.540 40 HB2 LYS 10 1HB LYS 10 -4.623 -14.347 -5.265 41 HB3 LYS 10 2HB LYS 10 -3.650 -15.718 -5.780 42 HG2 LYS 10 1HG LYS 10 -2.780 -15.444 -3.711 43 HG3 LYS 10 2HG LYS 10 -1.740 -14.313 -4.579 44 HD2 LYS 10 1HD LYS 10 -2.414 -13.015 -2.804 45 HD3 LYS 10 2HD LYS 10 -3.641 -12.602 -4.004 46 HE2 LYS 10 1HE LYS 10 -4.051 -14.828 -2.032 47 HE3 LYS 10 2HE LYS 10 -4.418 -13.153 -1.621 48 HZ1 LYS 10 3HZ LYS 10 -5.815 -13.162 -3.723 49 HZ2 LYS 10 1HZ LYS 10 -6.414 -14.037 -2.405 50 HZ3 LYS 10 2HZ LYS 10 -5.675 -14.848 -3.692 51 H LYS 11 H LYS 11 -1.281 -12.581 -5.540 52 HA LYS 11 HA LYS 11 -2.406 -10.390 -4.449 53 HB2 LYS 11 1HB LYS 11 0.132 -11.138 -4.795 54 HB3 LYS 11 2HB LYS 11 0.075 -9.868 -6.010 55 HG2 LYS 11 1HG LYS 11 0.730 -8.617 -4.246 56 HG3 LYS 11 2HG LYS 11 -1.014 -8.528 -3.987 57 HD2 LYS 11 1HD LYS 11 0.515 -10.777 -2.763 58 HD3 LYS 11 2HD LYS 11 0.615 -9.176 -2.026 59 HE2 LYS 11 1HE LYS 11 -1.903 -10.749 -2.562 60 HE3 LYS 11 2HE LYS 11 -1.151 -10.486 -0.990 61 HZ1 LYS 11 3HZ LYS 11 -2.359 -8.655 -0.815 62 HZ2 LYS 11 1HZ LYS 11 -2.961 -8.829 -2.386 63 HZ3 LYS 11 2HZ LYS 11 -1.520 -7.985 -2.122 64 H LEU 12 H LEU 12 -2.530 -8.120 -5.129 65 HA LEU 12 HA LEU 12 -3.104 -7.803 -7.996 66 HB2 LEU 12 1HB LEU 12 -4.871 -6.085 -6.905 67 HB3 LEU 12 2HB LEU 12 -5.263 -7.730 -7.400 68 HG LEU 12 HG LEU 12 -6.202 -7.175 -5.206 69 HD11 LEU 12 1HD1 LEU 12 -4.278 -9.080 -4.240 70 HD12 LEU 12 2HD1 LEU 12 -4.735 -9.448 -5.903 71 HD13 LEU 12 3HD1 LEU 12 -5.976 -9.311 -4.658 72 HD21 LEU 12 3HD2 LEU 12 -3.930 -5.770 -4.768 73 HD22 LEU 12 1HD2 LEU 12 -3.595 -7.237 -3.848 74 HD23 LEU 12 2HD2 LEU 12 -5.039 -6.287 -3.498 75 H PHE 13 H PHE 13 -2.087 -6.374 -4.970 76 HA PHE 13 HA PHE 13 -0.856 -4.182 -6.487 77 HB2 PHE 13 1HB PHE 13 -1.993 -3.687 -3.752 78 HB3 PHE 13 2HB PHE 13 -1.589 -2.523 -5.010 79 HD1 PHE 13 HD2 PHE 13 -2.960 -3.401 -7.343 80 HD2 PHE 13 HD1 PHE 13 -4.233 -3.580 -3.286 81 HE1 PHE 13 HE2 PHE 13 -5.307 -3.386 -8.083 82 HE2 PHE 13 HE1 PHE 13 -6.582 -3.565 -4.019 83 HZ PHE 13 HZ PHE 13 -7.122 -3.467 -6.420 84 H LYS 14 H LYS 14 1.262 -4.420 -6.272 85 HA LYS 14 HA LYS 14 2.346 -4.997 -3.601 86 HB2 LYS 14 1HB LYS 14 3.925 -6.549 -4.450 87 HB3 LYS 14 2HB LYS 14 2.370 -7.020 -5.124 88 HG2 LYS 14 1HG LYS 14 3.627 -7.166 -7.002 89 HG3 LYS 14 2HG LYS 14 3.184 -5.460 -7.108 90 HD2 LYS 14 1HD LYS 14 5.519 -5.579 -7.508 91 HD3 LYS 14 2HD LYS 14 5.323 -4.950 -5.870 92 HE2 LYS 14 1HE LYS 14 6.916 -6.529 -5.468 93 HE3 LYS 14 2HE LYS 14 5.475 -7.523 -5.263 94 HZ1 LYS 14 3HZ LYS 14 5.990 -7.670 -7.929 95 HZ2 LYS 14 1HZ LYS 14 6.389 -8.846 -6.780 96 HZ3 LYS 14 2HZ LYS 14 7.536 -7.694 -7.243 97 H CYS 15 H CYS 15 4.379 -4.089 -3.146 98 HA CYS 15 HA CYS 15 5.046 -1.805 -4.860 99 HB2 CYS 15 1HB CYS 15 4.531 -1.387 -2.460 100 HB3 CYS 15 2HB CYS 15 5.922 -2.373 -2.021 101 H ASN 16 H ASN 16 6.736 -1.947 -6.165 102 HA ASN 16 HA ASN 16 8.641 -4.104 -5.873 103 HB2 ASN 16 1HB ASN 16 8.506 -1.897 -7.940 104 HB3 ASN 16 2HB ASN 16 9.530 -3.327 -8.022 105 HD21 ASN 16 1HD2 ASN 16 8.622 -5.312 -8.504 106 HD22 ASN 16 2HD2 ASN 16 7.025 -5.468 -9.145 107 H GLU 17 H GLU 17 8.546 -1.846 -3.923 108 HA GLU 17 HA GLU 17 11.327 -0.921 -4.237 109 HB2 GLU 17 1HB GLU 17 9.246 0.506 -2.596 110 HB3 GLU 17 2HB GLU 17 10.792 1.117 -3.166 111 HG2 GLU 17 1HG GLU 17 9.695 0.651 -5.525 112 HG3 GLU 17 2HG GLU 17 8.210 0.851 -4.596 113 H CYS 18 H CYS 18 8.833 -1.817 -1.874 114 HA CYS 18 HA CYS 18 10.982 -2.778 -0.106 115 HB2 CYS 18 1HB CYS 18 9.660 -2.085 1.837 116 HB3 CYS 18 2HB CYS 18 10.034 -0.706 0.808 117 H LYS 19 H LYS 19 9.031 -3.988 -2.130 118 HA LYS 19 HA LYS 19 7.643 -5.797 -2.333 119 HB2 LYS 19 1HB LYS 19 9.238 -6.898 -0.023 120 HB3 LYS 19 2HB LYS 19 8.493 -7.791 -1.342 121 HG2 LYS 19 1HG LYS 19 10.829 -5.904 -1.580 122 HG3 LYS 19 2HG LYS 19 10.903 -7.667 -1.615 123 HD2 LYS 19 1HD LYS 19 9.206 -7.420 -3.580 124 HD3 LYS 19 2HD LYS 19 9.828 -5.770 -3.662 125 HE2 LYS 19 1HE LYS 19 12.134 -6.752 -3.785 126 HE3 LYS 19 2HE LYS 19 11.380 -8.337 -3.945 127 HZ1 LYS 19 3HZ LYS 19 11.723 -7.714 -6.122 128 HZ2 LYS 19 1HZ LYS 19 11.371 -6.083 -5.840 129 HZ3 LYS 19 2HZ LYS 19 10.122 -7.223 -5.883 130 H LYS 20 H LYS 20 6.188 -4.008 -1.096 131 HA LYS 20 HA LYS 20 4.958 -5.424 1.178 132 HB2 LYS 20 1HB LYS 20 6.030 -3.182 1.681 133 HB3 LYS 20 2HB LYS 20 4.793 -2.454 0.665 134 HG2 LYS 20 1HG LYS 20 3.864 -2.211 2.742 135 HG3 LYS 20 2HG LYS 20 3.153 -3.745 2.234 136 HD2 LYS 20 1HD LYS 20 3.875 -4.211 4.388 137 HD3 LYS 20 2HD LYS 20 5.213 -4.803 3.400 138 HE2 LYS 20 1HE LYS 20 6.388 -3.596 4.936 139 HE3 LYS 20 2HE LYS 20 6.085 -2.330 3.747 140 HZ1 LYS 20 3HZ LYS 20 5.515 -1.389 5.788 141 HZ2 LYS 20 1HZ LYS 20 4.722 -2.782 6.331 142 HZ3 LYS 20 2HZ LYS 20 4.025 -1.830 5.120 143 H THR 21 H THR 21 2.649 -5.296 1.354 144 HA THR 21 HA THR 21 1.228 -4.486 -1.079 145 HB THR 21 HB THR 21 -0.154 -6.611 -0.886 146 HG1 THR 21 HG1 THR 21 1.206 -6.992 1.257 147 HG21 THR 21 3HG2 THR 21 1.055 -6.960 -2.735 148 HG22 THR 21 1HG2 THR 21 2.137 -7.921 -1.727 149 HG23 THR 21 2HG2 THR 21 2.491 -6.219 -2.028 150 H PHE 22 H PHE 22 -1.166 -4.491 -0.754 151 HA PHE 22 HA PHE 22 -2.035 -4.271 2.017 152 HB2 PHE 22 1HB PHE 22 -2.325 -1.985 0.056 153 HB3 PHE 22 2HB PHE 22 -2.998 -2.037 1.682 154 HD1 PHE 22 HD1 PHE 22 0.108 -1.821 -0.276 155 HD2 PHE 22 HD2 PHE 22 -1.656 -1.578 3.590 156 HE1 PHE 22 HE1 PHE 22 2.186 -0.841 0.607 157 HE2 PHE 22 HE2 PHE 22 0.418 -0.598 4.479 158 HZ PHE 22 HZ PHE 22 2.342 -0.227 2.987 159 H THR 23 H THR 23 -4.067 -4.970 2.291 160 HA THR 23 HA THR 23 -5.481 -6.496 0.633 161 HB THR 23 HB THR 23 -6.810 -4.437 2.405 162 HG1 THR 23 HG1 THR 23 -6.313 -7.089 3.194 163 HG21 THR 23 3HG2 THR 23 -8.445 -6.472 2.599 164 HG22 THR 23 1HG2 THR 23 -7.747 -6.928 1.045 165 HG23 THR 23 2HG2 THR 23 -8.560 -5.373 1.224 166 H GLN 24 H GLN 24 -5.523 -2.970 0.569 167 HA GLN 24 HA GLN 24 -7.074 -3.101 -1.933 168 HB2 GLN 24 1HB GLN 24 -6.948 -0.840 0.070 169 HB3 GLN 24 2HB GLN 24 -7.863 -0.826 -1.432 170 HG2 GLN 24 1HG GLN 24 -8.327 -2.583 0.963 171 HG3 GLN 24 2HG GLN 24 -9.352 -1.272 0.382 172 HE21 GLN 24 1HE2 GLN 24 -9.738 -1.642 -2.158 173 HE22 GLN 24 2HE2 GLN 24 -10.408 -3.194 -2.514 174 H SER 25 H SER 25 -6.684 -0.967 -3.246 175 HA SER 25 HA SER 25 -3.839 -0.907 -3.797 176 HB2 SER 25 1HB SER 25 -5.693 -1.041 -5.564 177 HB3 SER 25 2HB SER 25 -5.960 0.673 -5.247 178 HG SER 25 HG SER 25 -4.369 1.009 -6.562 179 H SER 26 H SER 26 -6.386 1.430 -2.972 180 HA SER 26 HA SER 26 -5.077 3.794 -2.995 181 HB2 SER 26 1HB SER 26 -6.544 4.564 -1.225 182 HB3 SER 26 2HB SER 26 -7.441 3.458 -2.266 183 HG SER 26 HG SER 26 -7.634 2.108 -0.659 184 H SER 27 H SER 27 -4.818 1.324 -0.475 185 HA SER 27 HA SER 27 -3.222 2.751 1.324 186 HB2 SER 27 1HB SER 27 -3.308 -0.225 0.779 187 HB3 SER 27 2HB SER 27 -2.540 0.518 2.181 188 HG SER 27 HG SER 27 -4.751 -0.244 2.492 189 H LEU 28 H LEU 28 -2.346 0.747 -1.454 190 HA LEU 28 HA LEU 28 0.450 0.846 -1.054 191 HB2 LEU 28 1HB LEU 28 -0.423 -0.846 -2.462 192 HB3 LEU 28 2HB LEU 28 -1.253 0.332 -3.477 193 HG LEU 28 HG LEU 28 0.889 1.098 -4.359 194 HD11 LEU 28 1HD1 LEU 28 2.037 -0.975 -2.502 195 HD12 LEU 28 2HD1 LEU 28 2.344 0.761 -2.501 196 HD13 LEU 28 3HD1 LEU 28 2.933 -0.237 -3.830 197 HD21 LEU 28 3HD2 LEU 28 1.589 -1.159 -5.398 198 HD22 LEU 28 1HD2 LEU 28 -0.038 -0.551 -5.706 199 HD23 LEU 28 2HD2 LEU 28 0.217 -1.817 -4.505 200 H THR 29 H THR 29 -1.713 2.752 -3.135 201 HA THR 29 HA THR 29 0.168 4.374 -4.358 202 HB THR 29 HB THR 29 -2.628 5.140 -3.496 203 HG1 THR 29 HG1 THR 29 -2.692 4.701 -6.001 204 HG21 THR 29 3HG2 THR 29 -0.723 6.868 -4.348 205 HG22 THR 29 1HG2 THR 29 -2.448 7.075 -4.649 206 HG23 THR 29 2HG2 THR 29 -1.416 6.360 -5.888 207 H VAL 30 H VAL 30 -1.762 5.225 -1.475 208 HA VAL 30 HA VAL 30 -0.412 7.587 -0.861 209 HB VAL 30 HB VAL 30 -2.581 6.871 0.142 210 HG11 VAL 30 1HG1 VAL 30 -2.673 5.336 1.947 211 HG12 VAL 30 2HG1 VAL 30 -1.771 4.539 0.657 212 HG13 VAL 30 3HG1 VAL 30 -0.915 5.229 2.036 213 HG21 VAL 30 3HG2 VAL 30 -1.775 7.564 2.577 214 HG22 VAL 30 1HG2 VAL 30 -0.300 7.960 1.695 215 HG23 VAL 30 2HG2 VAL 30 -1.828 8.717 1.244 216 H HIS 31 H HIS 31 0.492 4.290 -0.356 217 HA HIS 31 HA HIS 31 2.506 4.905 1.629 218 HB2 HIS 31 1HB HIS 31 1.766 2.778 2.041 219 HB3 HIS 31 2HB HIS 31 1.450 2.443 0.341 220 HD1 HIS 31 HD1 HIS 31 4.089 2.207 2.952 221 HD2 HIS 31 HD2 HIS 31 3.657 1.453 -1.111 222 HE1 HIS 31 HE1 HIS 31 6.105 0.851 2.301 223 H GLN 32 H GLN 32 2.287 4.531 -1.814 224 HA GLN 32 HA GLN 32 5.070 4.127 -2.292 225 HB2 GLN 32 1HB GLN 32 2.977 3.697 -3.829 226 HB3 GLN 32 2HB GLN 32 3.266 5.356 -4.336 227 HG2 GLN 32 1HG GLN 32 4.502 4.258 -5.890 228 HG3 GLN 32 2HG GLN 32 5.727 4.478 -4.642 229 HE21 GLN 32 1HE2 GLN 32 3.080 2.183 -5.230 230 HE22 GLN 32 2HE2 GLN 32 4.038 0.762 -5.014 231 H ARG 33 H ARG 33 2.943 6.949 -2.258 232 HA ARG 33 HA ARG 33 4.518 8.904 -3.312 233 HB2 ARG 33 1HB ARG 33 3.238 10.467 -2.143 234 HB3 ARG 33 2HB ARG 33 2.182 9.064 -2.228 235 HG2 ARG 33 1HG ARG 33 2.953 8.447 0.067 236 HG3 ARG 33 2HG ARG 33 3.798 9.995 0.130 237 HD2 ARG 33 1HD ARG 33 0.901 9.930 -0.585 238 HD3 ARG 33 2HD ARG 33 1.379 9.755 1.103 239 HE ARG 33 HE ARG 33 1.364 12.151 -0.415 240 HH11 ARG 33 1HH1 ARG 33 3.129 10.466 2.068 241 HH12 ARG 33 2HH1 ARG 33 3.748 11.913 2.793 242 HH21 ARG 33 1HH2 ARG 33 2.173 14.063 0.530 243 HH22 ARG 33 2HH2 ARG 33 3.203 13.959 1.917 244 H ILE 34 H ILE 34 5.108 7.100 -0.447 245 HA ILE 34 HA ILE 34 6.861 8.949 0.831 246 HB ILE 34 HB ILE 34 6.410 5.993 1.160 247 HG12 ILE 34 1HG1 ILE 34 5.882 7.071 3.548 248 HG13 ILE 34 2HG1 ILE 34 5.595 8.495 2.554 249 HG21 ILE 34 1HG2 ILE 34 7.933 6.022 3.059 250 HG22 ILE 34 2HG2 ILE 34 8.780 6.441 1.571 251 HG23 ILE 34 3HG2 ILE 34 8.342 7.704 2.720 252 HD11 ILE 34 3HD1 ILE 34 4.119 6.866 1.157 253 HD12 ILE 34 1HD1 ILE 34 4.118 5.914 2.641 254 HD13 ILE 34 2HD1 ILE 34 3.505 7.568 2.654 255 H HIS 35 H HIS 35 7.371 6.112 -1.242 256 HA HIS 35 HA HIS 35 10.200 6.237 -1.198 257 HB2 HIS 35 1HB HIS 35 8.464 5.047 -3.368 258 HB3 HIS 35 2HB HIS 35 10.136 4.634 -3.000 259 HD1 HIS 35 HD1 HIS 35 10.139 4.027 -0.100 260 HD2 HIS 35 HD2 HIS 35 6.968 2.955 -2.561 261 HE1 HIS 35 HE1 HIS 35 8.973 2.142 1.088 262 H THR 36 H THR 36 7.748 7.648 -3.290 263 HA THR 36 HA THR 36 9.524 8.602 -5.285 264 HB THR 36 HB THR 36 7.698 9.905 -6.119 265 HG1 THR 36 HG1 THR 36 6.512 9.474 -3.563 266 HG21 THR 36 3HG2 THR 36 5.827 8.222 -6.090 267 HG22 THR 36 1HG2 THR 36 6.775 7.291 -4.931 268 HG23 THR 36 2HG2 THR 36 7.401 7.577 -6.555 269 H GLY 37 H GLY 37 8.124 10.086 -2.381 270 HA2 GLY 37 1HA GLY 37 9.362 12.632 -2.846 271 HA3 GLY 37 2HA GLY 37 8.547 12.120 -1.374 272 H GLU 38 H GLU 38 10.139 9.798 -0.890 273 HA GLU 38 HA GLU 38 12.329 11.038 0.461 274 HB2 GLU 38 1HB GLU 38 11.539 8.144 0.120 275 HB3 GLU 38 2HB GLU 38 12.901 8.669 1.099 276 HG2 GLU 38 1HG GLU 38 10.054 9.536 1.539 277 HG3 GLU 38 2HG GLU 38 10.845 8.214 2.396 278 H LYS 39 H LYS 39 14.524 9.712 0.334 279 HA LYS 39 HA LYS 39 15.341 9.826 -2.487 280 HB2 LYS 39 1HB LYS 39 17.622 10.172 -1.626 281 HB3 LYS 39 2HB LYS 39 16.506 11.397 -1.038 282 HG2 LYS 39 1HG LYS 39 17.592 10.926 0.897 283 HG3 LYS 39 2HG LYS 39 16.304 9.723 0.998 284 HD2 LYS 39 1HD LYS 39 17.714 7.976 0.550 285 HD3 LYS 39 2HD LYS 39 18.822 8.971 -0.397 286 HE2 LYS 39 1HE LYS 39 19.928 8.357 1.632 287 HE3 LYS 39 2HE LYS 39 19.531 10.072 1.725 288 HZ1 LYS 39 3HZ LYS 39 18.700 7.940 3.416 289 HZ2 LYS 39 1HZ LYS 39 17.365 8.778 2.801 290 HZ3 LYS 39 2HZ LYS 39 18.567 9.609 3.653 291 HA PRO 40 HA PRO 40 16.234 5.529 -2.626 292 HB2 PRO 40 1HB PRO 40 18.358 5.497 -4.316 293 HB3 PRO 40 2HB PRO 40 16.707 5.824 -4.854 294 HG2 PRO 40 1HG PRO 40 18.923 7.748 -4.263 295 HG3 PRO 40 2HG PRO 40 17.770 7.750 -5.610 296 HD2 PRO 40 1HD PRO 40 17.481 9.346 -3.442 297 HD3 PRO 40 2HD PRO 40 16.095 8.694 -4.338 298 H SER 41 H SER 41 16.930 4.906 -0.607 299 HA SER 41 HA SER 41 19.843 4.991 -0.171 300 HB2 SER 41 1HB SER 41 19.007 6.501 1.439 301 HB3 SER 41 2HB SER 41 17.610 5.483 1.793 302 HG SER 41 HG SER 41 20.051 4.285 2.231 303 H GLY 42 H GLY 42 20.405 2.952 -0.714 304 HA2 GLY 42 1HA GLY 42 20.418 0.819 0.838 305 HA3 GLY 42 2HA GLY 42 18.777 0.711 0.219 306 HA PRO 43 HA PRO 43 21.723 -1.542 -2.631 307 HB2 PRO 43 1HB PRO 43 20.419 -3.922 -2.544 308 HB3 PRO 43 2HB PRO 43 21.681 -3.475 -1.390 309 HG2 PRO 43 1HG PRO 43 18.705 -3.366 -1.080 310 HG3 PRO 43 2HG PRO 43 19.931 -3.922 0.075 311 HD2 PRO 43 1HD PRO 43 18.788 -1.471 0.228 312 HD3 PRO 43 2HD PRO 43 20.462 -1.778 0.734 313 H SER 44 H SER 44 20.641 0.025 -4.088 314 HA SER 44 HA SER 44 18.100 -0.565 -5.224 315 HB2 SER 44 1HB SER 44 18.534 1.230 -6.739 316 HB3 SER 44 2HB SER 44 19.244 1.700 -5.195 317 HG SER 44 HG SER 44 20.542 0.781 -7.530 318 H SER 45 H SER 45 17.967 -0.768 -7.726 319 HA SER 45 HA SER 45 18.079 -2.263 -9.448 320 HB2 SER 45 1HB SER 45 21.033 -1.845 -8.930 321 HB3 SER 45 2HB SER 45 20.364 -2.585 -10.384 322 HG SER 45 HG SER 45 19.933 -0.670 -11.114 323 H GLY 46 H GLY 46 17.608 -3.515 -7.014 324 HA2 GLY 46 1HA GLY 46 18.717 -6.151 -7.587 325 HA3 GLY 46 2HA GLY 46 19.053 -5.492 -5.993 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -4.202 -33.656 -4.561 2 HA2 GLY 1 1HA GLY 1 -6.480 -32.269 -4.942 3 HA3 GLY 1 2HA GLY 1 -6.300 -32.199 -3.196 4 H SER 2 H SER 2 -6.050 -30.227 -5.557 5 HA SER 2 HA SER 2 -3.505 -29.045 -4.658 6 HB2 SER 2 1HB SER 2 -3.311 -28.042 -6.943 7 HB3 SER 2 2HB SER 2 -3.203 -29.803 -6.935 8 HG SER 2 HG SER 2 -5.179 -28.143 -7.960 9 H SER 3 H SER 3 -4.380 -27.665 -3.160 10 HA SER 3 HA SER 3 -6.683 -26.062 -3.670 11 HB2 SER 3 1HB SER 3 -5.872 -26.761 -1.387 12 HB3 SER 3 2HB SER 3 -4.563 -25.592 -1.564 13 HG SER 3 HG SER 3 -6.983 -25.131 -0.682 14 H GLY 4 H GLY 4 -3.218 -25.257 -3.371 15 HA2 GLY 4 1HA GLY 4 -3.481 -23.262 -5.454 16 HA3 GLY 4 2HA GLY 4 -3.169 -22.606 -3.853 17 H SER 5 H SER 5 -1.925 -25.494 -5.519 18 HA SER 5 HA SER 5 0.786 -24.630 -4.818 19 HB2 SER 5 1HB SER 5 1.461 -26.916 -5.130 20 HB3 SER 5 2HB SER 5 -0.019 -26.927 -4.171 21 HG SER 5 HG SER 5 0.461 -27.986 -6.629 22 H SER 6 H SER 6 -0.392 -23.210 -6.884 23 HA SER 6 HA SER 6 1.032 -24.230 -9.255 24 HB2 SER 6 1HB SER 6 -1.334 -22.344 -9.243 25 HB3 SER 6 2HB SER 6 -0.576 -23.084 -10.652 26 HG SER 6 HG SER 6 -1.267 -25.007 -8.938 27 H GLY 7 H GLY 7 2.488 -22.932 -10.254 28 HA2 GLY 7 1HA GLY 7 3.418 -20.626 -8.812 29 HA3 GLY 7 2HA GLY 7 4.107 -21.281 -10.290 30 H ALA 8 H ALA 8 1.797 -19.061 -8.932 31 HA ALA 8 HA ALA 8 1.872 -17.457 -11.317 32 HB1 ALA 8 3HB ALA 8 -0.903 -17.696 -10.874 33 HB2 ALA 8 1HB ALA 8 0.019 -18.172 -12.300 34 HB3 ALA 8 2HB ALA 8 -0.256 -19.332 -11.000 35 H GLY 9 H GLY 9 1.589 -15.345 -10.843 36 HA2 GLY 9 1HA GLY 9 1.482 -14.518 -8.142 37 HA3 GLY 9 2HA GLY 9 1.370 -13.464 -9.544 38 H LYS 10 H LYS 10 -0.219 -14.467 -6.847 39 HA LYS 10 HA LYS 10 -2.896 -14.210 -8.006 40 HB2 LYS 10 1HB LYS 10 -3.655 -14.866 -5.704 41 HB3 LYS 10 2HB LYS 10 -2.687 -16.079 -6.531 42 HG2 LYS 10 1HG LYS 10 -0.800 -15.632 -5.195 43 HG3 LYS 10 2HG LYS 10 -1.502 -14.137 -4.571 44 HD2 LYS 10 1HD LYS 10 -3.220 -15.426 -3.406 45 HD3 LYS 10 2HD LYS 10 -2.540 -16.923 -4.046 46 HE2 LYS 10 1HE LYS 10 -0.704 -16.836 -2.674 47 HE3 LYS 10 2HE LYS 10 -0.757 -15.079 -2.536 48 HZ1 LYS 10 3HZ LYS 10 -1.405 -15.982 -0.459 49 HZ2 LYS 10 1HZ LYS 10 -2.510 -17.044 -1.174 50 HZ3 LYS 10 2HZ LYS 10 -2.811 -15.380 -1.181 51 H LYS 11 H LYS 11 -0.644 -12.601 -5.870 52 HA LYS 11 HA LYS 11 -2.179 -10.806 -4.512 53 HB2 LYS 11 1HB LYS 11 0.478 -11.096 -4.880 54 HB3 LYS 11 2HB LYS 11 0.206 -9.641 -5.829 55 HG2 LYS 11 1HG LYS 11 0.784 -8.889 -3.689 56 HG3 LYS 11 2HG LYS 11 -0.969 -8.703 -3.786 57 HD2 LYS 11 1HD LYS 11 -0.892 -11.160 -2.770 58 HD3 LYS 11 2HD LYS 11 0.662 -10.581 -2.165 59 HE2 LYS 11 1HE LYS 11 -0.948 -10.110 -0.487 60 HE3 LYS 11 2HE LYS 11 -0.558 -8.576 -1.263 61 HZ1 LYS 11 3HZ LYS 11 -3.021 -10.172 -1.449 62 HZ2 LYS 11 1HZ LYS 11 -2.598 -9.142 -2.722 63 HZ3 LYS 11 2HZ LYS 11 -2.839 -8.514 -1.171 64 H LEU 12 H LEU 12 -2.408 -8.405 -4.966 65 HA LEU 12 HA LEU 12 -3.103 -7.915 -7.780 66 HB2 LEU 12 1HB LEU 12 -4.965 -6.436 -6.508 67 HB3 LEU 12 2HB LEU 12 -5.243 -8.061 -7.131 68 HG LEU 12 HG LEU 12 -6.157 -7.768 -4.878 69 HD11 LEU 12 1HD1 LEU 12 -3.972 -9.577 -4.223 70 HD12 LEU 12 2HD1 LEU 12 -4.663 -9.873 -5.818 71 HD13 LEU 12 3HD1 LEU 12 -5.699 -9.895 -4.391 72 HD21 LEU 12 3HD2 LEU 12 -4.000 -6.218 -4.372 73 HD22 LEU 12 1HD2 LEU 12 -3.511 -7.723 -3.594 74 HD23 LEU 12 2HD2 LEU 12 -5.018 -6.938 -3.124 75 H PHE 13 H PHE 13 -2.114 -6.652 -4.671 76 HA PHE 13 HA PHE 13 -1.143 -4.234 -6.032 77 HB2 PHE 13 1HB PHE 13 -2.149 -4.130 -3.202 78 HB3 PHE 13 2HB PHE 13 -1.897 -2.804 -4.333 79 HD1 PHE 13 HD2 PHE 13 -3.314 -3.618 -6.704 80 HD2 PHE 13 HD1 PHE 13 -4.371 -4.151 -2.615 81 HE1 PHE 13 HE2 PHE 13 -5.691 -3.703 -7.333 82 HE2 PHE 13 HE1 PHE 13 -6.750 -4.238 -3.239 83 HZ PHE 13 HZ PHE 13 -7.412 -4.013 -5.600 84 H LYS 14 H LYS 14 0.999 -4.424 -6.013 85 HA LYS 14 HA LYS 14 2.314 -5.023 -3.455 86 HB2 LYS 14 1HB LYS 14 3.888 -6.489 -4.462 87 HB3 LYS 14 2HB LYS 14 2.302 -7.022 -5.003 88 HG2 LYS 14 1HG LYS 14 2.650 -6.321 -7.164 89 HG3 LYS 14 2HG LYS 14 3.859 -5.123 -6.694 90 HD2 LYS 14 1HD LYS 14 4.336 -8.077 -6.400 91 HD3 LYS 14 2HD LYS 14 4.692 -7.214 -7.897 92 HE2 LYS 14 1HE LYS 14 5.991 -5.595 -6.312 93 HE3 LYS 14 2HE LYS 14 5.975 -6.971 -5.210 94 HZ1 LYS 14 3HZ LYS 14 7.773 -7.651 -6.301 95 HZ2 LYS 14 1HZ LYS 14 7.545 -6.547 -7.563 96 HZ3 LYS 14 2HZ LYS 14 6.751 -8.040 -7.592 97 H CYS 15 H CYS 15 4.246 -3.951 -3.080 98 HA CYS 15 HA CYS 15 4.716 -1.650 -4.824 99 HB2 CYS 15 1HB CYS 15 4.390 -1.086 -2.508 100 HB3 CYS 15 2HB CYS 15 5.595 -2.265 -1.999 101 H ASN 16 H ASN 16 6.328 -1.674 -6.232 102 HA ASN 16 HA ASN 16 8.324 -3.758 -6.148 103 HB2 ASN 16 1HB ASN 16 7.382 -3.157 -8.300 104 HB3 ASN 16 2HB ASN 16 7.874 -1.479 -8.086 105 HD21 ASN 16 1HD2 ASN 16 9.669 -0.908 -9.061 106 HD22 ASN 16 2HD2 ASN 16 10.954 -1.962 -9.532 107 H GLU 17 H GLU 17 8.479 -2.011 -3.942 108 HA GLU 17 HA GLU 17 11.152 -0.880 -4.392 109 HB2 GLU 17 1HB GLU 17 9.110 0.477 -2.640 110 HB3 GLU 17 2HB GLU 17 10.659 1.105 -3.184 111 HG2 GLU 17 1HG GLU 17 9.559 0.782 -5.559 112 HG3 GLU 17 2HG GLU 17 8.072 0.921 -4.624 113 H CYS 18 H CYS 18 8.748 -1.969 -2.030 114 HA CYS 18 HA CYS 18 10.946 -3.031 -0.397 115 HB2 CYS 18 1HB CYS 18 9.753 -2.353 1.655 116 HB3 CYS 18 2HB CYS 18 10.225 -0.966 0.679 117 H LYS 19 H LYS 19 8.811 -4.055 -2.326 118 HA LYS 19 HA LYS 19 7.330 -5.786 -2.510 119 HB2 LYS 19 1HB LYS 19 8.913 -7.033 -0.268 120 HB3 LYS 19 2HB LYS 19 8.097 -7.843 -1.599 121 HG2 LYS 19 1HG LYS 19 10.524 -6.076 -1.839 122 HG3 LYS 19 2HG LYS 19 10.514 -7.840 -1.896 123 HD2 LYS 19 1HD LYS 19 8.857 -7.561 -3.843 124 HD3 LYS 19 2HD LYS 19 9.408 -5.884 -3.887 125 HE2 LYS 19 1HE LYS 19 11.648 -6.552 -4.336 126 HE3 LYS 19 2HE LYS 19 11.275 -8.243 -4.008 127 HZ1 LYS 19 3HZ LYS 19 9.634 -7.116 -6.071 128 HZ2 LYS 19 1HZ LYS 19 10.544 -8.542 -6.074 129 HZ3 LYS 19 2HZ LYS 19 11.281 -7.069 -6.455 130 H LYS 20 H LYS 20 6.044 -3.922 -1.182 131 HA LYS 20 HA LYS 20 4.884 -5.228 1.189 132 HB2 LYS 20 1HB LYS 20 5.931 -2.896 1.382 133 HB3 LYS 20 2HB LYS 20 4.552 -2.325 0.454 134 HG2 LYS 20 1HG LYS 20 3.737 -1.974 2.535 135 HG3 LYS 20 2HG LYS 20 3.226 -3.651 2.333 136 HD2 LYS 20 1HD LYS 20 5.862 -2.906 3.576 137 HD3 LYS 20 2HD LYS 20 4.379 -3.058 4.522 138 HE2 LYS 20 1HE LYS 20 4.213 -5.379 3.325 139 HE3 LYS 20 2HE LYS 20 5.945 -5.157 3.088 140 HZ1 LYS 20 3HZ LYS 20 6.084 -6.085 5.105 141 HZ2 LYS 20 1HZ LYS 20 4.475 -5.746 5.504 142 HZ3 LYS 20 2HZ LYS 20 5.661 -4.554 5.686 143 H THR 21 H THR 21 2.593 -5.177 1.456 144 HA THR 21 HA THR 21 1.040 -4.611 -0.969 145 HB THR 21 HB THR 21 -0.262 -6.717 -0.602 146 HG1 THR 21 HG1 THR 21 1.454 -6.878 1.520 147 HG21 THR 21 3HG2 THR 21 1.090 -7.100 -2.379 148 HG22 THR 21 1HG2 THR 21 1.899 -8.193 -1.256 149 HG23 THR 21 2HG2 THR 21 2.540 -6.572 -1.525 150 H PHE 22 H PHE 22 -1.231 -4.312 -0.602 151 HA PHE 22 HA PHE 22 -2.036 -3.962 2.192 152 HB2 PHE 22 1HB PHE 22 -2.454 -1.839 0.079 153 HB3 PHE 22 2HB PHE 22 -2.933 -1.747 1.771 154 HD1 PHE 22 HD1 PHE 22 -0.034 -1.850 -0.512 155 HD2 PHE 22 HD2 PHE 22 -1.416 -1.053 3.435 156 HE1 PHE 22 HE1 PHE 22 2.140 -0.839 0.041 157 HE2 PHE 22 HE2 PHE 22 0.755 -0.040 3.994 158 HZ PHE 22 HZ PHE 22 2.536 0.069 2.296 159 H THR 23 H THR 23 -4.120 -4.480 2.599 160 HA THR 23 HA THR 23 -5.593 -6.156 1.094 161 HB THR 23 HB THR 23 -6.252 -5.637 3.363 162 HG1 THR 23 HG1 THR 23 -7.872 -6.189 1.550 163 HG21 THR 23 3HG2 THR 23 -7.708 -3.175 2.780 164 HG22 THR 23 1HG2 THR 23 -5.960 -2.999 2.635 165 HG23 THR 23 2HG2 THR 23 -6.666 -3.576 4.145 166 H GLN 24 H GLN 24 -5.444 -2.676 0.718 167 HA GLN 24 HA GLN 24 -7.147 -2.922 -1.673 168 HB2 GLN 24 1HB GLN 24 -7.002 -0.668 0.328 169 HB3 GLN 24 2HB GLN 24 -7.763 -0.505 -1.249 170 HG2 GLN 24 1HG GLN 24 -9.270 -2.394 -0.632 171 HG3 GLN 24 2HG GLN 24 -8.585 -2.333 0.991 172 HE21 GLN 24 1HE2 GLN 24 -9.045 -0.579 2.320 173 HE22 GLN 24 2HE2 GLN 24 -10.350 0.504 1.992 174 H SER 25 H SER 25 -6.707 -1.299 -3.354 175 HA SER 25 HA SER 25 -3.899 -1.133 -3.868 176 HB2 SER 25 1HB SER 25 -4.574 -0.053 -5.980 177 HB3 SER 25 2HB SER 25 -5.499 -1.525 -5.685 178 HG SER 25 HG SER 25 -7.004 0.160 -4.616 179 H SER 26 H SER 26 -6.444 1.224 -3.141 180 HA SER 26 HA SER 26 -5.068 3.583 -3.451 181 HB2 SER 26 1HB SER 26 -7.101 2.861 -1.329 182 HB3 SER 26 2HB SER 26 -6.571 4.507 -1.678 183 HG SER 26 HG SER 26 -8.338 4.267 -2.913 184 H SER 27 H SER 27 -4.991 1.354 -0.714 185 HA SER 27 HA SER 27 -3.505 2.936 1.056 186 HB2 SER 27 1HB SER 27 -4.666 0.847 1.706 187 HB3 SER 27 2HB SER 27 -3.474 -0.082 0.799 188 HG SER 27 HG SER 27 -3.215 1.274 3.223 189 H LEU 28 H LEU 28 -2.503 0.804 -1.560 190 HA LEU 28 HA LEU 28 0.274 0.871 -0.971 191 HB2 LEU 28 1HB LEU 28 -0.345 -0.909 -2.309 192 HB3 LEU 28 2HB LEU 28 -1.376 0.089 -3.333 193 HG LEU 28 HG LEU 28 0.609 1.052 -4.392 194 HD11 LEU 28 1HD1 LEU 28 1.958 -0.407 -2.225 195 HD12 LEU 28 2HD1 LEU 28 2.432 1.062 -3.076 196 HD13 LEU 28 3HD1 LEU 28 2.727 -0.515 -3.808 197 HD21 LEU 28 3HD2 LEU 28 -0.292 -1.645 -4.592 198 HD22 LEU 28 1HD2 LEU 28 1.445 -1.599 -4.893 199 HD23 LEU 28 2HD2 LEU 28 0.357 -0.596 -5.854 200 H THR 29 H THR 29 -1.779 2.706 -3.206 201 HA THR 29 HA THR 29 0.131 4.190 -4.528 202 HB THR 29 HB THR 29 -2.597 5.124 -3.615 203 HG1 THR 29 HG1 THR 29 -3.274 3.862 -5.161 204 HG21 THR 29 3HG2 THR 29 -0.708 6.790 -4.488 205 HG22 THR 29 1HG2 THR 29 -2.405 6.981 -4.926 206 HG23 THR 29 2HG2 THR 29 -1.286 6.206 -6.048 207 H VAL 30 H VAL 30 -1.700 5.366 -1.696 208 HA VAL 30 HA VAL 30 -0.183 7.637 -1.216 209 HB VAL 30 HB VAL 30 -2.345 7.173 -0.121 210 HG11 VAL 30 1HG1 VAL 30 -0.988 4.818 0.735 211 HG12 VAL 30 2HG1 VAL 30 -1.504 5.726 2.157 212 HG13 VAL 30 3HG1 VAL 30 -2.685 5.252 0.936 213 HG21 VAL 30 3HG2 VAL 30 -0.405 7.561 2.110 214 HG22 VAL 30 1HG2 VAL 30 -0.437 8.726 0.786 215 HG23 VAL 30 2HG2 VAL 30 -1.890 8.439 1.743 216 H HIS 31 H HIS 31 0.547 4.324 -0.569 217 HA HIS 31 HA HIS 31 2.581 4.846 1.395 218 HB2 HIS 31 1HB HIS 31 1.772 2.717 1.697 219 HB3 HIS 31 2HB HIS 31 1.538 2.445 -0.027 220 HD1 HIS 31 HD1 HIS 31 3.874 1.817 2.725 221 HD2 HIS 31 HD2 HIS 31 3.978 1.766 -1.428 222 HE1 HIS 31 HE1 HIS 31 5.953 0.537 2.120 223 H GLN 32 H GLN 32 2.406 4.689 -2.054 224 HA GLN 32 HA GLN 32 5.163 4.192 -2.553 225 HB2 GLN 32 1HB GLN 32 3.022 4.076 -4.121 226 HB3 GLN 32 2HB GLN 32 3.508 5.722 -4.504 227 HG2 GLN 32 1HG GLN 32 4.681 4.653 -6.106 228 HG3 GLN 32 2HG GLN 32 5.866 4.537 -4.805 229 HE21 GLN 32 1HE2 GLN 32 4.560 2.555 -3.285 230 HE22 GLN 32 2HE2 GLN 32 4.647 1.068 -4.160 231 H ARG 33 H ARG 33 3.265 7.055 -1.930 232 HA ARG 33 HA ARG 33 4.940 9.040 -2.899 233 HB2 ARG 33 1HB ARG 33 3.285 9.120 -0.370 234 HB3 ARG 33 2HB ARG 33 3.906 10.517 -1.238 235 HG2 ARG 33 1HG ARG 33 2.358 10.352 -2.900 236 HG3 ARG 33 2HG ARG 33 2.204 8.602 -2.732 237 HD2 ARG 33 1HD ARG 33 0.171 9.530 -1.951 238 HD3 ARG 33 2HD ARG 33 1.074 9.032 -0.521 239 HE ARG 33 HE ARG 33 1.284 11.243 0.094 240 HH11 ARG 33 1HH1 ARG 33 0.012 11.019 -3.139 241 HH12 ARG 33 2HH1 ARG 33 -0.410 12.697 -3.230 242 HH21 ARG 33 1HH2 ARG 33 0.734 13.454 -0.014 243 HH22 ARG 33 2HH2 ARG 33 0.002 14.081 -1.452 244 H ILE 34 H ILE 34 5.215 7.086 -0.014 245 HA ILE 34 HA ILE 34 7.109 8.610 1.385 246 HB ILE 34 HB ILE 34 6.613 5.635 1.363 247 HG12 ILE 34 1HG1 ILE 34 5.849 6.446 3.789 248 HG13 ILE 34 2HG1 ILE 34 5.618 7.965 2.931 249 HG21 ILE 34 1HG2 ILE 34 8.256 7.138 3.387 250 HG22 ILE 34 2HG2 ILE 34 8.034 5.395 3.246 251 HG23 ILE 34 3HG2 ILE 34 8.959 6.266 2.024 252 HD11 ILE 34 3HD1 ILE 34 4.419 5.362 2.032 253 HD12 ILE 34 1HD1 ILE 34 3.599 6.500 3.101 254 HD13 ILE 34 2HD1 ILE 34 4.037 6.987 1.463 255 H HIS 35 H HIS 35 7.522 6.022 -1.007 256 HA HIS 35 HA HIS 35 10.381 6.116 -0.910 257 HB2 HIS 35 1HB HIS 35 8.611 4.922 -3.052 258 HB3 HIS 35 2HB HIS 35 10.312 4.562 -2.773 259 HD1 HIS 35 HD1 HIS 35 10.567 3.792 0.022 260 HD2 HIS 35 HD2 HIS 35 7.135 2.870 -2.131 261 HE1 HIS 35 HE1 HIS 35 9.501 1.871 1.246 262 H THR 36 H THR 36 7.894 7.703 -2.760 263 HA THR 36 HA THR 36 9.819 8.798 -4.655 264 HB THR 36 HB THR 36 7.971 9.682 -5.867 265 HG1 THR 36 HG1 THR 36 6.032 10.052 -4.982 266 HG21 THR 36 3HG2 THR 36 8.320 7.088 -5.667 267 HG22 THR 36 1HG2 THR 36 6.924 7.737 -6.525 268 HG23 THR 36 2HG2 THR 36 6.747 7.146 -4.873 269 H GLY 37 H GLY 37 10.055 9.526 -1.862 270 HA2 GLY 37 1HA GLY 37 10.432 12.308 -2.142 271 HA3 GLY 37 2HA GLY 37 8.945 12.020 -1.250 272 H GLU 38 H GLU 38 11.615 9.805 -1.002 273 HA GLU 38 HA GLU 38 12.280 10.917 1.642 274 HB2 GLU 38 1HB GLU 38 11.536 8.122 0.890 275 HB3 GLU 38 2HB GLU 38 12.708 8.368 2.177 276 HG2 GLU 38 1HG GLU 38 10.026 9.710 2.176 277 HG3 GLU 38 2HG GLU 38 10.282 8.105 2.856 278 H LYS 39 H LYS 39 14.354 11.411 1.810 279 HA LYS 39 HA LYS 39 16.304 11.322 -0.001 280 HB2 LYS 39 1HB LYS 39 16.300 12.020 2.563 281 HB3 LYS 39 2HB LYS 39 17.156 10.494 2.734 282 HG2 LYS 39 1HG LYS 39 18.593 11.489 0.752 283 HG3 LYS 39 2HG LYS 39 18.006 13.013 1.420 284 HD2 LYS 39 1HD LYS 39 19.245 10.902 3.160 285 HD3 LYS 39 2HD LYS 39 20.229 12.094 2.308 286 HE2 LYS 39 1HE LYS 39 18.575 13.800 3.397 287 HE3 LYS 39 2HE LYS 39 18.267 12.482 4.527 288 HZ1 LYS 39 3HZ LYS 39 20.304 12.669 5.441 289 HZ2 LYS 39 1HZ LYS 39 20.199 14.257 4.868 290 HZ3 LYS 39 2HZ LYS 39 21.059 13.096 3.989 291 HA PRO 40 HA PRO 40 16.958 7.034 -0.954 292 HB2 PRO 40 1HB PRO 40 19.062 7.412 -2.627 293 HB3 PRO 40 2HB PRO 40 17.390 7.742 -3.097 294 HG2 PRO 40 1HG PRO 40 19.511 9.646 -2.179 295 HG3 PRO 40 2HG PRO 40 18.344 9.824 -3.502 296 HD2 PRO 40 1HD PRO 40 17.997 10.996 -1.086 297 HD3 PRO 40 2HD PRO 40 16.636 10.440 -2.081 298 H SER 41 H SER 41 18.574 5.415 -0.642 299 HA SER 41 HA SER 41 20.136 5.782 1.686 300 HB2 SER 41 1HB SER 41 21.028 3.496 1.136 301 HB3 SER 41 2HB SER 41 19.268 3.592 1.186 302 HG SER 41 HG SER 41 19.947 4.142 -1.280 303 H GLY 42 H GLY 42 20.899 5.808 -1.751 304 HA2 GLY 42 1HA GLY 42 23.742 5.905 -1.353 305 HA3 GLY 42 2HA GLY 42 22.890 6.175 -2.866 306 HA PRO 43 HA PRO 43 24.679 10.212 -1.428 307 HB2 PRO 43 1HB PRO 43 25.777 10.856 -3.825 308 HB3 PRO 43 2HB PRO 43 26.617 9.878 -2.616 309 HG2 PRO 43 1HG PRO 43 25.123 9.000 -5.057 310 HG3 PRO 43 2HG PRO 43 26.677 8.421 -4.428 311 HD2 PRO 43 1HD PRO 43 24.358 7.075 -4.046 312 HD3 PRO 43 2HD PRO 43 25.677 7.061 -2.858 313 H SER 44 H SER 44 24.286 12.392 -2.387 314 HA SER 44 HA SER 44 22.036 12.499 -4.253 315 HB2 SER 44 1HB SER 44 20.753 13.987 -2.808 316 HB3 SER 44 2HB SER 44 21.064 12.466 -1.970 317 HG SER 44 HG SER 44 21.528 14.102 -0.550 318 H SER 45 H SER 45 22.695 13.787 -5.830 319 HA SER 45 HA SER 45 24.840 15.379 -6.035 320 HB2 SER 45 1HB SER 45 23.124 14.936 -7.831 321 HB3 SER 45 2HB SER 45 22.158 16.238 -7.136 322 HG SER 45 HG SER 45 23.819 16.634 -8.946 323 H GLY 46 H GLY 46 21.656 16.712 -5.110 324 HA2 GLY 46 1HA GLY 46 22.971 19.090 -4.053 325 HA3 GLY 46 2HA GLY 46 21.240 18.849 -4.232 Start of MODEL 4 1 H1 GLY 1 H GLY 1 14.910 -15.898 6.488 2 HA2 GLY 1 1HA GLY 1 13.413 -17.295 7.799 3 HA3 GLY 1 2HA GLY 1 12.414 -15.873 8.063 4 H SER 2 H SER 2 10.684 -15.633 6.810 5 HA SER 2 HA SER 2 10.227 -17.526 4.674 6 HB2 SER 2 1HB SER 2 7.964 -16.577 4.605 7 HB3 SER 2 2HB SER 2 8.423 -16.978 6.260 8 HG SER 2 HG SER 2 9.001 -14.403 5.393 9 H SER 3 H SER 3 12.336 -15.835 4.055 10 HA SER 3 HA SER 3 11.488 -13.633 2.445 11 HB2 SER 3 1HB SER 3 13.800 -14.064 3.576 12 HB3 SER 3 2HB SER 3 14.150 -14.985 2.114 13 HG SER 3 HG SER 3 14.576 -12.533 2.293 14 H GLY 4 H GLY 4 9.903 -14.638 1.090 15 HA2 GLY 4 1HA GLY 4 11.133 -15.938 -1.244 16 HA3 GLY 4 2HA GLY 4 9.728 -16.679 -0.494 17 H SER 5 H SER 5 10.894 -14.024 -2.422 18 HA SER 5 HA SER 5 8.118 -13.171 -2.907 19 HB2 SER 5 1HB SER 5 10.742 -11.711 -3.041 20 HB3 SER 5 2HB SER 5 9.344 -11.121 -3.939 21 HG SER 5 HG SER 5 8.394 -10.561 -2.123 22 H SER 6 H SER 6 7.659 -14.788 -4.433 23 HA SER 6 HA SER 6 8.394 -14.125 -7.114 24 HB2 SER 6 1HB SER 6 9.393 -16.323 -7.688 25 HB3 SER 6 2HB SER 6 10.384 -15.413 -6.549 26 HG SER 6 HG SER 6 10.287 -17.229 -5.472 27 H GLY 7 H GLY 7 6.623 -14.436 -8.283 28 HA2 GLY 7 1HA GLY 7 4.619 -15.282 -9.018 29 HA3 GLY 7 2HA GLY 7 5.140 -16.824 -8.355 30 H ALA 8 H ALA 8 3.623 -13.742 -7.511 31 HA ALA 8 HA ALA 8 2.658 -14.748 -4.985 32 HB1 ALA 8 3HB ALA 8 1.590 -12.255 -6.218 33 HB2 ALA 8 1HB ALA 8 1.967 -12.609 -4.532 34 HB3 ALA 8 2HB ALA 8 3.269 -12.295 -5.680 35 H GLY 9 H GLY 9 1.152 -13.744 -8.060 36 HA2 GLY 9 1HA GLY 9 -0.774 -14.474 -9.083 37 HA3 GLY 9 2HA GLY 9 -0.772 -15.835 -7.971 38 H LYS 10 H LYS 10 -1.782 -15.594 -5.912 39 HA LYS 10 HA LYS 10 -4.281 -14.550 -5.871 40 HB2 LYS 10 1HB LYS 10 -4.149 -14.560 -3.401 41 HB3 LYS 10 2HB LYS 10 -3.484 -16.021 -4.118 42 HG2 LYS 10 1HG LYS 10 -1.210 -14.932 -3.895 43 HG3 LYS 10 2HG LYS 10 -2.003 -13.716 -2.890 44 HD2 LYS 10 1HD LYS 10 -1.174 -15.293 -1.365 45 HD3 LYS 10 2HD LYS 10 -2.888 -15.686 -1.520 46 HE2 LYS 10 1HE LYS 10 -1.741 -17.746 -1.616 47 HE3 LYS 10 2HE LYS 10 -2.205 -17.374 -3.276 48 HZ1 LYS 10 3HZ LYS 10 -0.060 -17.836 -3.680 49 HZ2 LYS 10 1HZ LYS 10 0.432 -17.547 -2.087 50 HZ3 LYS 10 2HZ LYS 10 0.211 -16.252 -3.152 51 H LYS 11 H LYS 11 -1.342 -12.874 -4.793 52 HA LYS 11 HA LYS 11 -2.447 -10.529 -3.848 53 HB2 LYS 11 1HB LYS 11 0.008 -11.271 -3.884 54 HB3 LYS 11 2HB LYS 11 0.073 -10.572 -5.497 55 HG2 LYS 11 1HG LYS 11 0.896 -8.933 -4.010 56 HG3 LYS 11 2HG LYS 11 -0.725 -8.416 -4.481 57 HD2 LYS 11 1HD LYS 11 -0.601 -8.073 -2.151 58 HD3 LYS 11 2HD LYS 11 -1.543 -9.551 -2.361 59 HE2 LYS 11 1HE LYS 11 0.645 -10.806 -2.052 60 HE3 LYS 11 2HE LYS 11 1.329 -9.273 -1.510 61 HZ1 LYS 11 3HZ LYS 11 -1.155 -10.205 -0.266 62 HZ2 LYS 11 1HZ LYS 11 0.107 -9.293 0.396 63 HZ3 LYS 11 2HZ LYS 11 0.293 -10.960 0.178 64 H LEU 12 H LEU 12 -2.595 -8.398 -4.830 65 HA LEU 12 HA LEU 12 -3.263 -8.508 -7.697 66 HB2 LEU 12 1HB LEU 12 -4.819 -6.491 -6.841 67 HB3 LEU 12 2HB LEU 12 -5.360 -8.163 -6.975 68 HG LEU 12 HG LEU 12 -6.074 -7.108 -4.876 69 HD11 LEU 12 1HD1 LEU 12 -4.242 -8.973 -3.685 70 HD12 LEU 12 2HD1 LEU 12 -4.856 -9.601 -5.214 71 HD13 LEU 12 3HD1 LEU 12 -5.980 -9.118 -3.944 72 HD21 LEU 12 3HD2 LEU 12 -3.618 -5.914 -4.876 73 HD22 LEU 12 1HD2 LEU 12 -3.418 -7.170 -3.654 74 HD23 LEU 12 2HD2 LEU 12 -4.715 -5.985 -3.497 75 H PHE 13 H PHE 13 -1.770 -6.790 -5.081 76 HA PHE 13 HA PHE 13 -0.623 -4.911 -7.025 77 HB2 PHE 13 1HB PHE 13 -1.372 -4.042 -4.239 78 HB3 PHE 13 2HB PHE 13 -0.941 -3.037 -5.619 79 HD1 PHE 13 HD2 PHE 13 -2.613 -3.984 -7.753 80 HD2 PHE 13 HD1 PHE 13 -3.525 -3.539 -3.619 81 HE1 PHE 13 HE2 PHE 13 -4.996 -3.728 -8.309 82 HE2 PHE 13 HE1 PHE 13 -5.910 -3.283 -4.169 83 HZ PHE 13 HZ PHE 13 -6.648 -3.376 -6.517 84 H LYS 14 H LYS 14 1.523 -4.566 -6.822 85 HA LYS 14 HA LYS 14 2.874 -5.494 -4.389 86 HB2 LYS 14 1HB LYS 14 3.417 -7.343 -5.606 87 HB3 LYS 14 2HB LYS 14 3.207 -6.523 -7.147 88 HG2 LYS 14 1HG LYS 14 5.362 -5.799 -7.217 89 HG3 LYS 14 2HG LYS 14 5.508 -5.716 -5.460 90 HD2 LYS 14 1HD LYS 14 5.144 -8.395 -6.687 91 HD3 LYS 14 2HD LYS 14 6.708 -7.604 -6.898 92 HE2 LYS 14 1HE LYS 14 6.947 -8.868 -4.942 93 HE3 LYS 14 2HE LYS 14 6.656 -7.225 -4.372 94 HZ1 LYS 14 3HZ LYS 14 5.310 -9.401 -3.541 95 HZ2 LYS 14 1HZ LYS 14 4.264 -8.796 -4.726 96 HZ3 LYS 14 2HZ LYS 14 4.732 -7.815 -3.431 97 H CYS 15 H CYS 15 4.346 -4.097 -3.659 98 HA CYS 15 HA CYS 15 4.943 -1.743 -5.263 99 HB2 CYS 15 1HB CYS 15 4.372 -1.110 -3.095 100 HB3 CYS 15 2HB CYS 15 5.238 -2.458 -2.366 101 H ASN 16 H ASN 16 6.636 -1.795 -6.576 102 HA ASN 16 HA ASN 16 8.820 -3.632 -6.147 103 HB2 ASN 16 1HB ASN 16 7.794 -2.968 -8.411 104 HB3 ASN 16 2HB ASN 16 8.726 -1.482 -8.255 105 HD21 ASN 16 1HD2 ASN 16 9.488 -2.563 -10.351 106 HD22 ASN 16 2HD2 ASN 16 10.899 -3.551 -10.209 107 H GLU 17 H GLU 17 8.705 -1.916 -4.018 108 HA GLU 17 HA GLU 17 11.187 -0.387 -4.370 109 HB2 GLU 17 1HB GLU 17 8.948 0.644 -2.646 110 HB3 GLU 17 2HB GLU 17 10.366 1.504 -3.228 111 HG2 GLU 17 1HG GLU 17 9.288 0.961 -5.577 112 HG3 GLU 17 2HG GLU 17 7.816 0.889 -4.610 113 H CYS 18 H CYS 18 8.862 -1.647 -1.989 114 HA CYS 18 HA CYS 18 11.137 -2.559 -0.371 115 HB2 CYS 18 1HB CYS 18 9.968 -1.877 1.686 116 HB3 CYS 18 2HB CYS 18 10.328 -0.495 0.657 117 H LYS 19 H LYS 19 8.927 -3.676 -2.217 118 HA LYS 19 HA LYS 19 7.647 -5.551 -2.366 119 HB2 LYS 19 1HB LYS 19 9.635 -6.231 -0.239 120 HB3 LYS 19 2HB LYS 19 8.311 -7.347 -0.549 121 HG2 LYS 19 1HG LYS 19 10.105 -8.109 -1.854 122 HG3 LYS 19 2HG LYS 19 9.016 -7.295 -2.980 123 HD2 LYS 19 1HD LYS 19 11.004 -6.381 -3.641 124 HD3 LYS 19 2HD LYS 19 10.547 -5.217 -2.395 125 HE2 LYS 19 1HE LYS 19 12.167 -7.616 -1.659 126 HE3 LYS 19 2HE LYS 19 12.952 -6.240 -2.432 127 HZ1 LYS 19 3HZ LYS 19 11.682 -6.408 0.210 128 HZ2 LYS 19 1HZ LYS 19 11.704 -4.918 -0.593 129 HZ3 LYS 19 2HZ LYS 19 13.157 -5.705 -0.231 130 H LYS 20 H LYS 20 6.263 -3.575 -1.230 131 HA LYS 20 HA LYS 20 4.959 -4.734 1.138 132 HB2 LYS 20 1HB LYS 20 5.884 -2.363 1.209 133 HB3 LYS 20 2HB LYS 20 4.603 -1.929 0.086 134 HG2 LYS 20 1HG LYS 20 3.474 -1.442 1.960 135 HG3 LYS 20 2HG LYS 20 3.168 -3.180 1.997 136 HD2 LYS 20 1HD LYS 20 5.660 -2.143 3.257 137 HD3 LYS 20 2HD LYS 20 4.127 -1.911 4.101 138 HE2 LYS 20 1HE LYS 20 5.134 -4.569 3.095 139 HE3 LYS 20 2HE LYS 20 5.346 -3.987 4.746 140 HZ1 LYS 20 3HZ LYS 20 3.014 -3.998 5.087 141 HZ2 LYS 20 1HZ LYS 20 3.410 -5.494 4.403 142 HZ3 LYS 20 2HZ LYS 20 2.695 -4.292 3.452 143 H THR 21 H THR 21 2.669 -4.819 1.240 144 HA THR 21 HA THR 21 1.232 -4.479 -1.290 145 HB THR 21 HB THR 21 0.048 -6.693 -0.800 146 HG1 THR 21 HG1 THR 21 1.937 -6.662 1.178 147 HG21 THR 21 3HG2 THR 21 2.470 -6.106 -2.184 148 HG22 THR 21 1HG2 THR 21 1.251 -7.321 -2.565 149 HG23 THR 21 2HG2 THR 21 2.596 -7.725 -1.498 150 H PHE 22 H PHE 22 -1.084 -4.392 -1.052 151 HA PHE 22 HA PHE 22 -2.124 -4.128 1.657 152 HB2 PHE 22 1HB PHE 22 -2.266 -1.885 -0.368 153 HB3 PHE 22 2HB PHE 22 -3.109 -1.911 1.177 154 HD1 PHE 22 HD2 PHE 22 -1.898 -1.623 3.261 155 HD2 PHE 22 HD1 PHE 22 0.103 -1.484 -0.494 156 HE1 PHE 22 HE2 PHE 22 0.062 -0.606 4.346 157 HE2 PHE 22 HE1 PHE 22 2.066 -0.468 0.586 158 HZ PHE 22 HZ PHE 22 2.047 -0.026 3.009 159 H THR 23 H THR 23 -4.116 -4.938 1.807 160 HA THR 23 HA THR 23 -5.391 -6.411 -0.063 161 HB THR 23 HB THR 23 -6.820 -4.706 1.986 162 HG1 THR 23 HG1 THR 23 -5.028 -6.477 2.454 163 HG21 THR 23 3HG2 THR 23 -8.520 -5.547 0.654 164 HG22 THR 23 1HG2 THR 23 -8.367 -6.800 1.885 165 HG23 THR 23 2HG2 THR 23 -7.643 -7.033 0.293 166 H GLN 24 H GLN 24 -5.480 -2.926 0.226 167 HA GLN 24 HA GLN 24 -7.124 -2.819 -2.216 168 HB2 GLN 24 1HB GLN 24 -7.067 -0.815 0.046 169 HB3 GLN 24 2HB GLN 24 -8.005 -0.661 -1.433 170 HG2 GLN 24 1HG GLN 24 -8.344 -2.941 0.492 171 HG3 GLN 24 2HG GLN 24 -9.260 -1.439 0.600 172 HE21 GLN 24 1HE2 GLN 24 -11.255 -2.022 0.043 173 HE22 GLN 24 2HE2 GLN 24 -11.689 -2.813 -1.430 174 H SER 25 H SER 25 -6.752 -0.882 -3.557 175 HA SER 25 HA SER 25 -3.932 -0.479 -3.934 176 HB2 SER 25 1HB SER 25 -4.650 0.903 -5.880 177 HB3 SER 25 2HB SER 25 -5.360 -0.712 -5.885 178 HG SER 25 HG SER 25 -7.256 0.171 -5.780 179 H SER 26 H SER 26 -6.690 1.592 -3.084 180 HA SER 26 HA SER 26 -5.586 4.061 -2.980 181 HB2 SER 26 1HB SER 26 -7.932 3.503 -2.339 182 HB3 SER 26 2HB SER 26 -7.334 2.922 -0.785 183 HG SER 26 HG SER 26 -6.671 5.511 -1.643 184 H SER 27 H SER 27 -5.110 1.474 -0.633 185 HA SER 27 HA SER 27 -3.617 3.047 1.214 186 HB2 SER 27 1HB SER 27 -4.837 0.760 1.562 187 HB3 SER 27 2HB SER 27 -3.315 0.068 1.002 188 HG SER 27 HG SER 27 -3.157 2.033 2.962 189 H LEU 28 H LEU 28 -2.704 0.717 -1.307 190 HA LEU 28 HA LEU 28 0.049 0.750 -0.926 191 HB2 LEU 28 1HB LEU 28 -0.721 -0.885 -2.373 192 HB3 LEU 28 2HB LEU 28 -1.708 0.251 -3.290 193 HG LEU 28 HG LEU 28 0.286 1.156 -4.351 194 HD11 LEU 28 1HD1 LEU 28 1.630 -0.483 -2.304 195 HD12 LEU 28 2HD1 LEU 28 2.123 1.036 -3.050 196 HD13 LEU 28 3HD1 LEU 28 2.367 -0.486 -3.906 197 HD21 LEU 28 3HD2 LEU 28 0.718 -1.751 -4.685 198 HD22 LEU 28 1HD2 LEU 28 0.439 -0.496 -5.893 199 HD23 LEU 28 2HD2 LEU 28 -0.916 -1.149 -4.971 200 H THR 29 H THR 29 -1.798 2.644 -3.322 201 HA THR 29 HA THR 29 0.148 4.183 -4.409 202 HB THR 29 HB THR 29 -2.653 4.969 -3.628 203 HG1 THR 29 HG1 THR 29 -1.463 4.511 -6.176 204 HG21 THR 29 3HG2 THR 29 -1.454 7.039 -3.667 205 HG22 THR 29 1HG2 THR 29 -2.335 6.909 -5.188 206 HG23 THR 29 2HG2 THR 29 -0.602 6.582 -5.141 207 H VAL 30 H VAL 30 -1.747 5.279 -1.586 208 HA VAL 30 HA VAL 30 -0.296 7.519 -0.942 209 HB VAL 30 HB VAL 30 -1.696 5.573 0.887 210 HG11 VAL 30 1HG1 VAL 30 0.143 7.611 1.609 211 HG12 VAL 30 2HG1 VAL 30 -1.475 8.144 2.069 212 HG13 VAL 30 3HG1 VAL 30 -0.851 6.604 2.661 213 HG21 VAL 30 3HG2 VAL 30 -3.034 7.989 0.877 214 HG22 VAL 30 1HG2 VAL 30 -2.511 7.796 -0.796 215 HG23 VAL 30 2HG2 VAL 30 -3.487 6.544 -0.028 216 H HIS 31 H HIS 31 0.382 4.166 -0.056 217 HA HIS 31 HA HIS 31 2.519 4.678 1.702 218 HB2 HIS 31 1HB HIS 31 1.848 2.505 1.923 219 HB3 HIS 31 2HB HIS 31 1.503 2.324 0.206 220 HD1 HIS 31 HD1 HIS 31 4.521 2.512 2.507 221 HD2 HIS 31 HD2 HIS 31 3.376 0.903 -1.148 222 HE1 HIS 31 HE1 HIS 31 6.466 1.108 1.752 223 H GLN 32 H GLN 32 2.306 4.640 -1.758 224 HA GLN 32 HA GLN 32 5.015 4.229 -2.388 225 HB2 GLN 32 1HB GLN 32 3.031 5.905 -3.931 226 HB3 GLN 32 2HB GLN 32 4.487 5.147 -4.562 227 HG2 GLN 32 1HG GLN 32 2.462 3.392 -3.298 228 HG3 GLN 32 2HG GLN 32 2.084 4.085 -4.874 229 HE21 GLN 32 1HE2 GLN 32 3.878 1.745 -3.158 230 HE22 GLN 32 2HE2 GLN 32 4.687 1.036 -4.510 231 H ARG 33 H ARG 33 3.209 7.114 -1.507 232 HA ARG 33 HA ARG 33 4.970 9.109 -2.218 233 HB2 ARG 33 1HB ARG 33 3.361 8.995 0.339 234 HB3 ARG 33 2HB ARG 33 3.992 10.445 -0.429 235 HG2 ARG 33 1HG ARG 33 2.396 10.449 -2.056 236 HG3 ARG 33 2HG ARG 33 2.197 8.696 -2.019 237 HD2 ARG 33 1HD ARG 33 0.217 9.566 -1.096 238 HD3 ARG 33 2HD ARG 33 1.169 9.012 0.281 239 HE ARG 33 HE ARG 33 1.865 11.593 0.134 240 HH11 ARG 33 1HH1 ARG 33 -1.242 10.025 0.069 241 HH12 ARG 33 2HH1 ARG 33 -2.075 11.356 0.803 242 HH21 ARG 33 1HH2 ARG 33 0.780 13.352 1.101 243 HH22 ARG 33 2HH2 ARG 33 -0.924 13.248 1.388 244 H ILE 34 H ILE 34 5.440 6.613 0.048 245 HA ILE 34 HA ILE 34 7.304 7.942 1.756 246 HB ILE 34 HB ILE 34 6.548 5.076 1.321 247 HG12 ILE 34 1HG1 ILE 34 6.191 5.348 3.862 248 HG13 ILE 34 2HG1 ILE 34 6.381 7.073 3.568 249 HG21 ILE 34 1HG2 ILE 34 8.846 6.044 3.017 250 HG22 ILE 34 2HG2 ILE 34 8.182 4.411 3.031 251 HG23 ILE 34 3HG2 ILE 34 8.961 5.034 1.576 252 HD11 ILE 34 3HD1 ILE 34 4.066 6.625 3.582 253 HD12 ILE 34 1HD1 ILE 34 4.518 6.879 1.896 254 HD13 ILE 34 2HD1 ILE 34 4.255 5.244 2.502 255 H HIS 35 H HIS 35 7.537 6.070 -1.203 256 HA HIS 35 HA HIS 35 10.454 6.153 -1.116 257 HB2 HIS 35 1HB HIS 35 8.821 4.995 -3.360 258 HB3 HIS 35 2HB HIS 35 10.450 4.565 -2.849 259 HD1 HIS 35 HD1 HIS 35 10.586 3.246 -0.501 260 HD2 HIS 35 HD2 HIS 35 6.842 3.456 -2.289 261 HE1 HIS 35 HE1 HIS 35 9.209 1.460 0.611 262 H THR 36 H THR 36 7.758 7.684 -2.666 263 HA THR 36 HA THR 36 9.586 9.145 -4.453 264 HB THR 36 HB THR 36 7.788 7.983 -5.637 265 HG1 THR 36 HG1 THR 36 7.282 10.787 -5.606 266 HG21 THR 36 3HG2 THR 36 5.540 8.209 -5.188 267 HG22 THR 36 1HG2 THR 36 5.743 9.780 -4.413 268 HG23 THR 36 2HG2 THR 36 6.212 8.309 -3.561 269 H GLY 37 H GLY 37 6.804 9.581 -2.280 270 HA2 GLY 37 1HA GLY 37 7.046 12.456 -2.337 271 HA3 GLY 37 2HA GLY 37 5.943 11.519 -1.340 272 H GLU 38 H GLU 38 9.460 11.208 -1.504 273 HA GLU 38 HA GLU 38 9.817 12.581 1.017 274 HB2 GLU 38 1HB GLU 38 10.076 9.596 0.756 275 HB3 GLU 38 2HB GLU 38 11.006 10.487 1.953 276 HG2 GLU 38 1HG GLU 38 8.685 11.459 2.624 277 HG3 GLU 38 2HG GLU 38 8.065 10.033 1.794 278 H LYS 39 H LYS 39 12.201 12.336 1.732 279 HA LYS 39 HA LYS 39 13.835 13.287 -0.345 280 HB2 LYS 39 1HB LYS 39 15.626 13.279 1.257 281 HB3 LYS 39 2HB LYS 39 14.152 13.770 2.082 282 HG2 LYS 39 1HG LYS 39 13.924 11.365 2.827 283 HG3 LYS 39 2HG LYS 39 15.571 11.128 2.237 284 HD2 LYS 39 1HD LYS 39 14.872 13.306 4.187 285 HD3 LYS 39 2HD LYS 39 15.279 11.672 4.716 286 HE2 LYS 39 1HE LYS 39 17.467 11.847 4.005 287 HE3 LYS 39 2HE LYS 39 17.093 13.100 2.823 288 HZ1 LYS 39 3HZ LYS 39 17.368 14.713 4.330 289 HZ2 LYS 39 1HZ LYS 39 18.229 13.552 5.210 290 HZ3 LYS 39 2HZ LYS 39 16.604 13.850 5.569 291 HA PRO 40 HA PRO 40 15.240 9.591 -2.287 292 HB2 PRO 40 1HB PRO 40 17.521 10.548 -3.404 293 HB3 PRO 40 2HB PRO 40 15.912 10.940 -4.021 294 HG2 PRO 40 1HG PRO 40 17.704 12.552 -2.246 295 HG3 PRO 40 2HG PRO 40 16.727 13.082 -3.629 296 HD2 PRO 40 1HD PRO 40 15.936 13.440 -1.064 297 HD3 PRO 40 2HD PRO 40 14.787 13.163 -2.388 298 H SER 41 H SER 41 16.266 7.871 -1.492 299 HA SER 41 HA SER 41 18.588 8.314 0.268 300 HB2 SER 41 1HB SER 41 16.596 7.412 1.439 301 HB3 SER 41 2HB SER 41 16.611 6.022 0.355 302 HG SER 41 HG SER 41 18.101 6.497 2.570 303 H GLY 42 H GLY 42 18.942 8.146 -2.487 304 HA2 GLY 42 1HA GLY 42 20.574 7.130 -3.802 305 HA3 GLY 42 2HA GLY 42 20.682 5.833 -2.621 306 HA PRO 43 HA PRO 43 16.916 4.841 -5.517 307 HB2 PRO 43 1HB PRO 43 16.809 6.260 -7.829 308 HB3 PRO 43 2HB PRO 43 15.991 6.773 -6.349 309 HG2 PRO 43 1HG PRO 43 18.605 7.691 -7.483 310 HG3 PRO 43 2HG PRO 43 17.301 8.650 -6.758 311 HD2 PRO 43 1HD PRO 43 19.546 7.982 -5.400 312 HD3 PRO 43 2HD PRO 43 17.968 8.163 -4.607 313 H SER 44 H SER 44 16.784 3.757 -7.703 314 HA SER 44 HA SER 44 19.474 3.087 -8.704 315 HB2 SER 44 1HB SER 44 18.620 0.757 -9.059 316 HB3 SER 44 2HB SER 44 18.721 1.226 -7.362 317 HG SER 44 HG SER 44 16.581 1.266 -7.223 318 H SER 45 H SER 45 19.736 3.037 -10.867 319 HA SER 45 HA SER 45 17.337 3.496 -12.518 320 HB2 SER 45 1HB SER 45 18.775 4.756 -14.061 321 HB3 SER 45 2HB SER 45 18.837 5.448 -12.440 322 HG SER 45 HG SER 45 20.833 4.403 -13.936 323 H GLY 46 H GLY 46 17.086 1.200 -12.756 324 HA2 GLY 46 1HA GLY 46 19.137 -0.428 -13.884 325 HA3 GLY 46 2HA GLY 46 17.434 -0.844 -13.755 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.375 -25.902 -15.727 2 HA2 GLY 1 1HA GLY 1 4.296 -25.032 -17.334 3 HA3 GLY 1 2HA GLY 1 3.231 -25.782 -18.514 4 H SER 2 H SER 2 3.131 -23.600 -19.417 5 HA SER 2 HA SER 2 1.177 -21.925 -17.979 6 HB2 SER 2 1HB SER 2 2.168 -19.965 -19.070 7 HB3 SER 2 2HB SER 2 3.385 -20.836 -18.138 8 HG SER 2 HG SER 2 4.271 -20.384 -20.119 9 H SER 3 H SER 3 -0.491 -23.165 -19.028 10 HA SER 3 HA SER 3 -0.961 -22.254 -21.784 11 HB2 SER 3 1HB SER 3 -1.482 -25.045 -20.731 12 HB3 SER 3 2HB SER 3 -1.950 -24.455 -22.325 13 HG SER 3 HG SER 3 0.009 -24.798 -22.982 14 H GLY 4 H GLY 4 -2.486 -20.741 -21.323 15 HA2 GLY 4 1HA GLY 4 -5.124 -21.285 -21.128 16 HA3 GLY 4 2HA GLY 4 -4.617 -21.287 -19.445 17 H SER 5 H SER 5 -6.508 -19.501 -20.342 18 HA SER 5 HA SER 5 -5.069 -16.953 -20.599 19 HB2 SER 5 1HB SER 5 -7.230 -16.004 -21.297 20 HB3 SER 5 2HB SER 5 -6.785 -17.381 -22.306 21 HG SER 5 HG SER 5 -8.145 -18.629 -20.775 22 H SER 6 H SER 6 -4.455 -16.867 -18.386 23 HA SER 6 HA SER 6 -6.276 -15.458 -16.740 24 HB2 SER 6 1HB SER 6 -6.451 -17.095 -14.890 25 HB3 SER 6 2HB SER 6 -7.245 -17.668 -16.357 26 HG SER 6 HG SER 6 -5.633 -19.098 -16.689 27 H GLY 7 H GLY 7 -5.212 -14.332 -15.176 28 HA2 GLY 7 1HA GLY 7 -2.458 -14.009 -15.311 29 HA3 GLY 7 2HA GLY 7 -3.455 -13.495 -13.959 30 H ALA 8 H ALA 8 -4.349 -16.098 -13.187 31 HA ALA 8 HA ALA 8 -3.757 -17.806 -11.806 32 HB1 ALA 8 3HB ALA 8 -1.505 -18.898 -12.314 33 HB2 ALA 8 1HB ALA 8 -2.709 -18.882 -13.602 34 HB3 ALA 8 2HB ALA 8 -1.374 -17.731 -13.629 35 H GLY 9 H GLY 9 -3.409 -15.225 -10.801 36 HA2 GLY 9 1HA GLY 9 -1.043 -15.610 -9.072 37 HA3 GLY 9 2HA GLY 9 -1.524 -14.025 -9.660 38 H LYS 10 H LYS 10 -1.224 -14.234 -7.028 39 HA LYS 10 HA LYS 10 -3.946 -14.557 -5.948 40 HB2 LYS 10 1HB LYS 10 -2.839 -14.754 -3.729 41 HB3 LYS 10 2HB LYS 10 -2.387 -16.033 -4.849 42 HG2 LYS 10 1HG LYS 10 -0.343 -14.590 -5.382 43 HG3 LYS 10 2HG LYS 10 -0.760 -13.695 -3.919 44 HD2 LYS 10 1HD LYS 10 -0.821 -16.030 -2.800 45 HD3 LYS 10 2HD LYS 10 0.106 -16.549 -4.210 46 HE2 LYS 10 1HE LYS 10 0.910 -14.210 -2.496 47 HE3 LYS 10 2HE LYS 10 1.441 -15.859 -2.169 48 HZ1 LYS 10 3HZ LYS 10 2.503 -15.943 -4.305 49 HZ2 LYS 10 1HZ LYS 10 3.048 -14.568 -3.483 50 HZ3 LYS 10 2HZ LYS 10 1.907 -14.415 -4.722 51 H LYS 11 H LYS 11 -1.020 -12.554 -5.609 52 HA LYS 11 HA LYS 11 -2.378 -10.467 -4.215 53 HB2 LYS 11 1HB LYS 11 0.163 -11.072 -4.277 54 HB3 LYS 11 2HB LYS 11 0.190 -10.046 -5.704 55 HG2 LYS 11 1HG LYS 11 0.822 -8.696 -3.871 56 HG3 LYS 11 2HG LYS 11 -0.827 -8.233 -4.298 57 HD2 LYS 11 1HD LYS 11 -0.632 -10.380 -2.305 58 HD3 LYS 11 2HD LYS 11 0.018 -8.825 -1.779 59 HE2 LYS 11 1HE LYS 11 -2.631 -8.873 -3.134 60 HE3 LYS 11 2HE LYS 11 -2.532 -9.437 -1.467 61 HZ1 LYS 11 3HZ LYS 11 -3.008 -6.967 -1.917 62 HZ2 LYS 11 1HZ LYS 11 -1.351 -6.849 -2.235 63 HZ3 LYS 11 2HZ LYS 11 -1.886 -7.366 -0.716 64 H LEU 12 H LEU 12 -2.577 -8.244 -5.011 65 HA LEU 12 HA LEU 12 -3.078 -8.116 -7.909 66 HB2 LEU 12 1HB LEU 12 -4.869 -6.343 -6.972 67 HB3 LEU 12 2HB LEU 12 -5.243 -8.029 -7.325 68 HG LEU 12 HG LEU 12 -6.192 -7.269 -5.187 69 HD11 LEU 12 1HD1 LEU 12 -4.625 -9.590 -5.659 70 HD12 LEU 12 2HD1 LEU 12 -6.028 -9.400 -4.607 71 HD13 LEU 12 3HD1 LEU 12 -4.407 -9.105 -3.977 72 HD21 LEU 12 3HD2 LEU 12 -3.616 -7.275 -3.791 73 HD22 LEU 12 1HD2 LEU 12 -5.024 -6.235 -3.577 74 HD23 LEU 12 2HD2 LEU 12 -3.864 -5.895 -4.862 75 H PHE 13 H PHE 13 -1.969 -6.549 -5.013 76 HA PHE 13 HA PHE 13 -0.839 -4.400 -6.664 77 HB2 PHE 13 1HB PHE 13 -1.891 -3.853 -3.898 78 HB3 PHE 13 2HB PHE 13 -1.475 -2.699 -5.161 79 HD1 PHE 13 HD2 PHE 13 -2.884 -3.582 -7.482 80 HD2 PHE 13 HD1 PHE 13 -4.124 -3.671 -3.411 81 HE1 PHE 13 HE2 PHE 13 -5.236 -3.521 -8.200 82 HE2 PHE 13 HE1 PHE 13 -6.479 -3.611 -4.123 83 HZ PHE 13 HZ PHE 13 -7.037 -3.534 -6.521 84 H LYS 14 H LYS 14 1.289 -4.608 -6.545 85 HA LYS 14 HA LYS 14 2.495 -5.221 -3.928 86 HB2 LYS 14 1HB LYS 14 4.095 -6.634 -4.908 87 HB3 LYS 14 2HB LYS 14 2.582 -7.083 -5.686 88 HG2 LYS 14 1HG LYS 14 3.907 -6.966 -7.520 89 HG3 LYS 14 2HG LYS 14 3.388 -5.281 -7.453 90 HD2 LYS 14 1HD LYS 14 5.725 -5.215 -7.768 91 HD3 LYS 14 2HD LYS 14 5.467 -4.847 -6.061 92 HE2 LYS 14 1HE LYS 14 7.127 -6.394 -5.856 93 HE3 LYS 14 2HE LYS 14 5.732 -7.472 -5.836 94 HZ1 LYS 14 3HZ LYS 14 6.081 -8.056 -8.071 95 HZ2 LYS 14 1HZ LYS 14 7.613 -8.112 -7.356 96 HZ3 LYS 14 2HZ LYS 14 7.182 -6.797 -8.328 97 H CYS 15 H CYS 15 4.420 -4.169 -3.413 98 HA CYS 15 HA CYS 15 4.906 -1.736 -4.970 99 HB2 CYS 15 1HB CYS 15 4.421 -1.474 -2.569 100 HB3 CYS 15 2HB CYS 15 5.815 -2.477 -2.180 101 H ASN 16 H ASN 16 6.550 -1.699 -6.337 102 HA ASN 16 HA ASN 16 8.617 -3.715 -6.225 103 HB2 ASN 16 1HB ASN 16 7.454 -2.660 -8.329 104 HB3 ASN 16 2HB ASN 16 8.676 -1.407 -8.134 105 HD21 ASN 16 1HD2 ASN 16 9.960 -1.801 -9.830 106 HD22 ASN 16 2HD2 ASN 16 10.797 -3.287 -10.106 107 H GLU 17 H GLU 17 8.609 -1.968 -3.994 108 HA GLU 17 HA GLU 17 11.266 -0.761 -4.318 109 HB2 GLU 17 1HB GLU 17 9.129 0.545 -2.648 110 HB3 GLU 17 2HB GLU 17 10.667 1.218 -3.169 111 HG2 GLU 17 1HG GLU 17 9.635 0.843 -5.561 112 HG3 GLU 17 2HG GLU 17 8.120 0.922 -4.664 113 H CYS 18 H CYS 18 8.786 -1.935 -2.083 114 HA CYS 18 HA CYS 18 10.932 -2.924 -0.339 115 HB2 CYS 18 1HB CYS 18 9.687 -2.258 1.652 116 HB3 CYS 18 2HB CYS 18 10.041 -0.852 0.654 117 H LYS 19 H LYS 19 9.106 -4.122 -2.373 118 HA LYS 19 HA LYS 19 7.602 -5.848 -2.618 119 HB2 LYS 19 1HB LYS 19 9.192 -7.078 -0.372 120 HB3 LYS 19 2HB LYS 19 8.445 -7.888 -1.743 121 HG2 LYS 19 1HG LYS 19 10.792 -6.006 -1.883 122 HG3 LYS 19 2HG LYS 19 10.869 -7.767 -1.973 123 HD2 LYS 19 1HD LYS 19 9.281 -7.561 -3.963 124 HD3 LYS 19 2HD LYS 19 9.673 -5.840 -3.947 125 HE2 LYS 19 1HE LYS 19 11.758 -8.008 -4.077 126 HE3 LYS 19 2HE LYS 19 11.043 -7.272 -5.511 127 HZ1 LYS 19 3HZ LYS 19 13.018 -6.218 -3.692 128 HZ2 LYS 19 1HZ LYS 19 11.787 -5.123 -4.076 129 HZ3 LYS 19 2HZ LYS 19 12.712 -5.821 -5.307 130 H LYS 20 H LYS 20 6.330 -3.983 -1.148 131 HA LYS 20 HA LYS 20 5.073 -5.490 1.050 132 HB2 LYS 20 1HB LYS 20 6.199 -3.291 1.602 133 HB3 LYS 20 2HB LYS 20 4.962 -2.503 0.632 134 HG2 LYS 20 1HG LYS 20 3.250 -3.552 2.131 135 HG3 LYS 20 2HG LYS 20 4.581 -4.077 3.166 136 HD2 LYS 20 1HD LYS 20 5.224 -1.499 2.960 137 HD3 LYS 20 2HD LYS 20 3.483 -1.359 2.701 138 HE2 LYS 20 1HE LYS 20 3.233 -2.788 4.801 139 HE3 LYS 20 2HE LYS 20 4.941 -2.456 5.089 140 HZ1 LYS 20 3HZ LYS 20 3.580 -0.880 6.270 141 HZ2 LYS 20 1HZ LYS 20 2.778 -0.435 4.848 142 HZ3 LYS 20 2HZ LYS 20 4.420 -0.077 5.041 143 H THR 21 H THR 21 2.781 -5.374 1.272 144 HA THR 21 HA THR 21 1.344 -4.544 -1.158 145 HB THR 21 HB THR 21 -0.165 -6.544 -0.799 146 HG1 THR 21 HG1 THR 21 1.947 -7.178 0.988 147 HG21 THR 21 3HG2 THR 21 1.076 -6.989 -2.634 148 HG22 THR 21 1HG2 THR 21 1.883 -8.140 -1.571 149 HG23 THR 21 2HG2 THR 21 2.590 -6.548 -1.844 150 H PHE 22 H PHE 22 -1.012 -4.295 -0.809 151 HA PHE 22 HA PHE 22 -1.756 -3.740 1.968 152 HB2 PHE 22 1HB PHE 22 -1.952 -1.774 -0.318 153 HB3 PHE 22 2HB PHE 22 -2.804 -1.578 1.210 154 HD1 PHE 22 HD1 PHE 22 0.595 -1.965 -0.232 155 HD2 PHE 22 HD2 PHE 22 -1.766 -0.540 3.010 156 HE1 PHE 22 HE1 PHE 22 2.578 -0.868 0.725 157 HE2 PHE 22 HE2 PHE 22 0.213 0.560 3.972 158 HZ PHE 22 HZ PHE 22 2.389 0.398 2.829 159 H THR 23 H THR 23 -3.869 -4.125 2.446 160 HA THR 23 HA THR 23 -5.390 -5.935 1.205 161 HB THR 23 HB THR 23 -6.574 -3.465 2.486 162 HG1 THR 23 HG1 THR 23 -5.805 -5.945 3.669 163 HG21 THR 23 3HG2 THR 23 -7.715 -6.250 2.413 164 HG22 THR 23 1HG2 THR 23 -8.108 -5.031 1.201 165 HG23 THR 23 2HG2 THR 23 -8.516 -4.755 2.894 166 H GLN 24 H GLN 24 -5.303 -2.507 0.363 167 HA GLN 24 HA GLN 24 -6.609 -3.172 -2.179 168 HB2 GLN 24 1HB GLN 24 -7.335 -0.885 -0.346 169 HB3 GLN 24 2HB GLN 24 -7.832 -0.971 -2.031 170 HG2 GLN 24 1HG GLN 24 -8.470 -3.135 -0.052 171 HG3 GLN 24 2HG GLN 24 -9.509 -1.732 -0.298 172 HE21 GLN 24 1HE2 GLN 24 -11.238 -2.637 -1.238 173 HE22 GLN 24 2HE2 GLN 24 -11.205 -3.515 -2.725 174 H SER 25 H SER 25 -6.283 -1.476 -3.842 175 HA SER 25 HA SER 25 -3.557 -0.820 -4.077 176 HB2 SER 25 1HB SER 25 -5.042 -1.179 -6.018 177 HB3 SER 25 2HB SER 25 -5.901 0.311 -5.627 178 HG SER 25 HG SER 25 -3.116 0.208 -6.142 179 H SER 26 H SER 26 -6.360 1.365 -3.746 180 HA SER 26 HA SER 26 -5.184 3.780 -3.554 181 HB2 SER 26 1HB SER 26 -6.984 4.459 -1.996 182 HB3 SER 26 2HB SER 26 -7.598 3.481 -3.328 183 HG SER 26 HG SER 26 -7.175 2.729 -0.637 184 H SER 27 H SER 27 -5.363 1.402 -0.933 185 HA SER 27 HA SER 27 -4.113 2.995 1.032 186 HB2 SER 27 1HB SER 27 -5.409 1.004 1.618 187 HB3 SER 27 2HB SER 27 -4.240 -0.021 0.786 188 HG SER 27 HG SER 27 -2.754 1.263 2.392 189 H LEU 28 H LEU 28 -2.861 0.811 -1.422 190 HA LEU 28 HA LEU 28 -0.173 0.829 -0.459 191 HB2 LEU 28 1HB LEU 28 -0.607 -1.018 -1.754 192 HB3 LEU 28 2HB LEU 28 -1.558 -0.106 -2.924 193 HG LEU 28 HG LEU 28 0.455 0.784 -3.924 194 HD11 LEU 28 1HD1 LEU 28 1.627 -0.002 -1.433 195 HD12 LEU 28 2HD1 LEU 28 2.297 1.008 -2.713 196 HD13 LEU 28 3HD1 LEU 28 2.508 -0.742 -2.769 197 HD21 LEU 28 3HD2 LEU 28 -0.189 -2.017 -3.794 198 HD22 LEU 28 1HD2 LEU 28 1.536 -1.787 -4.078 199 HD23 LEU 28 2HD2 LEU 28 0.358 -1.053 -5.167 200 H THR 29 H THR 29 -1.894 2.555 -3.036 201 HA THR 29 HA THR 29 0.204 3.927 -4.189 202 HB THR 29 HB THR 29 -2.592 4.973 -3.702 203 HG1 THR 29 HG1 THR 29 -2.964 4.130 -5.800 204 HG21 THR 29 3HG2 THR 29 -0.269 6.158 -4.951 205 HG22 THR 29 1HG2 THR 29 -1.842 6.873 -4.604 206 HG23 THR 29 2HG2 THR 29 -1.591 5.979 -6.103 207 H VAL 30 H VAL 30 -1.811 4.986 -1.448 208 HA VAL 30 HA VAL 30 -0.574 7.425 -0.959 209 HB VAL 30 HB VAL 30 -2.673 6.645 0.130 210 HG11 VAL 30 1HG1 VAL 30 -0.886 4.615 1.138 211 HG12 VAL 30 2HG1 VAL 30 -1.730 5.433 2.454 212 HG13 VAL 30 3HG1 VAL 30 -2.649 4.671 1.156 213 HG21 VAL 30 3HG2 VAL 30 -0.445 7.704 1.855 214 HG22 VAL 30 1HG2 VAL 30 -1.689 8.617 1.000 215 HG23 VAL 30 2HG2 VAL 30 -2.123 7.624 2.392 216 H HIS 31 H HIS 31 0.530 4.212 -0.323 217 HA HIS 31 HA HIS 31 2.533 5.009 1.598 218 HB2 HIS 31 1HB HIS 31 1.957 2.842 2.055 219 HB3 HIS 31 2HB HIS 31 1.638 2.457 0.366 220 HD1 HIS 31 HD1 HIS 31 4.657 3.133 2.583 221 HD2 HIS 31 HD2 HIS 31 3.557 0.918 -0.755 222 HE1 HIS 31 HE1 HIS 31 6.669 1.739 2.009 223 H GLN 32 H GLN 32 2.287 4.646 -1.830 224 HA GLN 32 HA GLN 32 4.995 4.261 -2.474 225 HB2 GLN 32 1HB GLN 32 2.924 5.742 -4.101 226 HB3 GLN 32 2HB GLN 32 4.405 5.011 -4.704 227 HG2 GLN 32 1HG GLN 32 2.470 3.268 -3.284 228 HG3 GLN 32 2HG GLN 32 2.064 3.814 -4.910 229 HE21 GLN 32 1HE2 GLN 32 4.022 1.748 -3.001 230 HE22 GLN 32 2HE2 GLN 32 4.837 0.950 -4.299 231 H ARG 33 H ARG 33 3.149 7.136 -1.702 232 HA ARG 33 HA ARG 33 4.826 9.128 -2.632 233 HB2 ARG 33 1HB ARG 33 3.764 10.593 -1.107 234 HB3 ARG 33 2HB ARG 33 2.558 9.383 -1.522 235 HG2 ARG 33 1HG ARG 33 3.256 8.175 0.598 236 HG3 ARG 33 2HG ARG 33 4.124 9.652 1.022 237 HD2 ARG 33 1HD ARG 33 1.261 9.824 0.203 238 HD3 ARG 33 2HD ARG 33 1.659 9.267 1.828 239 HE ARG 33 HE ARG 33 3.007 11.692 1.149 240 HH11 ARG 33 1HH1 ARG 33 -0.013 10.365 2.262 241 HH12 ARG 33 2HH1 ARG 33 -0.501 11.815 3.074 242 HH21 ARG 33 1HH2 ARG 33 2.376 13.607 2.215 243 HH22 ARG 33 2HH2 ARG 33 0.858 13.659 3.046 244 H ILE 34 H ILE 34 5.249 6.969 0.052 245 HA ILE 34 HA ILE 34 7.177 8.426 1.502 246 HB ILE 34 HB ILE 34 6.502 5.508 1.338 247 HG12 ILE 34 1HG1 ILE 34 6.251 6.148 3.910 248 HG13 ILE 34 2HG1 ILE 34 6.092 7.768 3.241 249 HG21 ILE 34 1HG2 ILE 34 8.775 6.739 2.888 250 HG22 ILE 34 2HG2 ILE 34 8.136 5.120 3.168 251 HG23 ILE 34 3HG2 ILE 34 8.887 5.517 1.622 252 HD11 ILE 34 3HD1 ILE 34 4.289 5.424 2.993 253 HD12 ILE 34 1HD1 ILE 34 3.910 7.118 3.303 254 HD13 ILE 34 2HD1 ILE 34 4.345 6.595 1.675 255 H HIS 35 H HIS 35 7.481 6.026 -1.090 256 HA HIS 35 HA HIS 35 10.330 6.028 -1.090 257 HB2 HIS 35 1HB HIS 35 8.447 5.190 -3.304 258 HB3 HIS 35 2HB HIS 35 10.145 4.746 -3.151 259 HD1 HIS 35 HD1 HIS 35 10.540 3.535 -0.578 260 HD2 HIS 35 HD2 HIS 35 6.885 3.148 -2.515 261 HE1 HIS 35 HE1 HIS 35 9.444 1.518 0.450 262 H THR 36 H THR 36 7.893 7.995 -2.576 263 HA THR 36 HA THR 36 9.755 9.192 -4.460 264 HB THR 36 HB THR 36 7.915 10.422 -5.334 265 HG1 THR 36 HG1 THR 36 5.809 10.157 -4.141 266 HG21 THR 36 3HG2 THR 36 7.398 7.573 -4.650 267 HG22 THR 36 1HG2 THR 36 7.617 8.334 -6.225 268 HG23 THR 36 2HG2 THR 36 6.085 8.504 -5.368 269 H GLY 37 H GLY 37 10.586 9.528 -1.830 270 HA2 GLY 37 1HA GLY 37 11.110 12.266 -1.712 271 HA3 GLY 37 2HA GLY 37 9.742 11.956 -0.653 272 H GLU 38 H GLU 38 10.446 9.456 0.351 273 HA GLU 38 HA GLU 38 12.447 10.245 2.273 274 HB2 GLU 38 1HB GLU 38 10.911 7.654 2.014 275 HB3 GLU 38 2HB GLU 38 11.895 8.130 3.391 276 HG2 GLU 38 1HG GLU 38 10.314 10.203 3.440 277 HG3 GLU 38 2HG GLU 38 9.239 9.155 2.516 278 H LYS 39 H LYS 39 14.510 9.582 2.398 279 HA LYS 39 HA LYS 39 15.992 8.726 0.306 280 HB2 LYS 39 1HB LYS 39 16.360 8.328 3.257 281 HB3 LYS 39 2HB LYS 39 17.530 7.664 2.124 282 HG2 LYS 39 1HG LYS 39 18.013 9.858 1.261 283 HG3 LYS 39 2HG LYS 39 16.741 10.567 2.259 284 HD2 LYS 39 1HD LYS 39 17.934 10.093 4.260 285 HD3 LYS 39 2HD LYS 39 19.096 9.077 3.404 286 HE2 LYS 39 1HE LYS 39 20.147 11.173 3.862 287 HE3 LYS 39 2HE LYS 39 19.815 11.100 2.133 288 HZ1 LYS 39 3HZ LYS 39 18.365 12.790 2.256 289 HZ2 LYS 39 1HZ LYS 39 19.178 13.171 3.689 290 HZ3 LYS 39 2HZ LYS 39 17.729 12.301 3.745 291 HA PRO 40 HA PRO 40 14.495 4.590 -0.421 292 HB2 PRO 40 1HB PRO 40 16.125 4.079 -2.531 293 HB3 PRO 40 2HB PRO 40 14.675 5.082 -2.658 294 HG2 PRO 40 1HG PRO 40 17.537 5.916 -2.378 295 HG3 PRO 40 2HG PRO 40 16.275 6.583 -3.431 296 HD2 PRO 40 1HD PRO 40 17.002 7.760 -1.103 297 HD3 PRO 40 2HD PRO 40 15.344 7.834 -1.734 298 H SER 41 H SER 41 15.089 2.818 0.645 299 HA SER 41 HA SER 41 17.962 2.251 0.959 300 HB2 SER 41 1HB SER 41 17.495 1.381 3.217 301 HB3 SER 41 2HB SER 41 17.058 3.085 3.084 302 HG SER 41 HG SER 41 15.101 1.158 2.552 303 H GLY 42 H GLY 42 17.881 0.803 -0.795 304 HA2 GLY 42 1HA GLY 42 16.391 -1.685 -0.221 305 HA3 GLY 42 2HA GLY 42 16.599 -1.060 -1.850 306 HA PRO 43 HA PRO 43 19.892 -4.208 -1.250 307 HB2 PRO 43 1HB PRO 43 19.748 -5.152 -3.791 308 HB3 PRO 43 2HB PRO 43 18.688 -5.719 -2.495 309 HG2 PRO 43 1HG PRO 43 18.143 -3.709 -4.645 310 HG3 PRO 43 2HG PRO 43 17.099 -5.007 -4.036 311 HD2 PRO 43 1HD PRO 43 16.808 -2.424 -3.275 312 HD3 PRO 43 2HD PRO 43 16.442 -3.784 -2.195 313 H SER 44 H SER 44 21.902 -3.450 -1.352 314 HA SER 44 HA SER 44 22.669 -1.791 -3.664 315 HB2 SER 44 1HB SER 44 23.398 -1.635 -0.760 316 HB3 SER 44 2HB SER 44 24.530 -1.035 -1.972 317 HG SER 44 HG SER 44 22.441 0.213 -0.988 318 H SER 45 H SER 45 23.388 -3.477 -4.957 319 HA SER 45 HA SER 45 25.686 -5.006 -3.928 320 HB2 SER 45 1HB SER 45 25.179 -6.606 -5.796 321 HB3 SER 45 2HB SER 45 23.904 -6.489 -4.584 322 HG SER 45 HG SER 45 22.620 -5.532 -5.997 323 H GLY 46 H GLY 46 24.446 -3.634 -6.983 324 HA2 GLY 46 1HA GLY 46 26.834 -2.199 -7.518 325 HA3 GLY 46 2HA GLY 46 26.822 -3.707 -8.421 Start of MODEL 6 1 H1 GLY 1 H GLY 1 5.484 -20.735 1.316 2 HA2 GLY 1 1HA GLY 1 6.501 -20.202 -0.712 3 HA3 GLY 1 2HA GLY 1 7.932 -21.083 -0.198 4 H SER 2 H SER 2 6.984 -23.575 0.316 5 HA SER 2 HA SER 2 6.622 -24.602 -2.330 6 HB2 SER 2 1HB SER 2 6.726 -26.801 -1.282 7 HB3 SER 2 2HB SER 2 7.987 -25.764 -0.614 8 HG SER 2 HG SER 2 6.256 -27.094 0.751 9 H SER 3 H SER 3 4.850 -25.577 -3.235 10 HA SER 3 HA SER 3 2.649 -25.949 -3.669 11 HB2 SER 3 1HB SER 3 2.638 -26.399 -0.679 12 HB3 SER 3 2HB SER 3 1.243 -26.711 -1.713 13 HG SER 3 HG SER 3 3.787 -27.861 -2.182 14 H GLY 4 H GLY 4 3.396 -23.280 -3.507 15 HA2 GLY 4 1HA GLY 4 1.205 -21.971 -2.048 16 HA3 GLY 4 2HA GLY 4 2.641 -21.171 -2.670 17 H SER 5 H SER 5 2.189 -19.840 -4.279 18 HA SER 5 HA SER 5 0.403 -20.735 -6.412 19 HB2 SER 5 1HB SER 5 -1.132 -19.486 -5.093 20 HB3 SER 5 2HB SER 5 0.046 -18.207 -4.801 21 HG SER 5 HG SER 5 -0.089 -17.672 -7.010 22 H SER 6 H SER 6 0.990 -20.050 -8.412 23 HA SER 6 HA SER 6 3.542 -19.334 -9.021 24 HB2 SER 6 1HB SER 6 2.147 -20.058 -10.798 25 HB3 SER 6 2HB SER 6 0.978 -18.770 -10.509 26 HG SER 6 HG SER 6 2.214 -18.181 -12.260 27 H GLY 7 H GLY 7 0.824 -17.012 -9.049 28 HA2 GLY 7 1HA GLY 7 1.773 -15.006 -7.523 29 HA3 GLY 7 2HA GLY 7 2.677 -14.786 -9.014 30 H ALA 8 H ALA 8 -0.686 -15.814 -8.554 31 HA ALA 8 HA ALA 8 -1.761 -13.279 -9.343 32 HB1 ALA 8 3HB ALA 8 -1.840 -13.524 -11.545 33 HB2 ALA 8 1HB ALA 8 -1.024 -15.082 -11.409 34 HB3 ALA 8 2HB ALA 8 -2.785 -15.000 -11.351 35 H GLY 9 H GLY 9 -3.735 -13.081 -8.487 36 HA2 GLY 9 1HA GLY 9 -5.976 -14.350 -8.475 37 HA3 GLY 9 2HA GLY 9 -5.065 -15.536 -7.552 38 H LYS 10 H LYS 10 -3.752 -14.368 -5.684 39 HA LYS 10 HA LYS 10 -5.785 -13.091 -4.051 40 HB2 LYS 10 1HB LYS 10 -4.173 -13.394 -2.212 41 HB3 LYS 10 2HB LYS 10 -4.487 -14.898 -3.067 42 HG2 LYS 10 1HG LYS 10 -2.388 -14.632 -4.298 43 HG3 LYS 10 2HG LYS 10 -2.071 -13.133 -3.420 44 HD2 LYS 10 1HD LYS 10 -2.631 -15.593 -1.843 45 HD3 LYS 10 2HD LYS 10 -1.059 -15.451 -2.634 46 HE2 LYS 10 1HE LYS 10 -2.079 -13.139 -1.059 47 HE3 LYS 10 2HE LYS 10 -1.460 -14.542 -0.190 48 HZ1 LYS 10 3HZ LYS 10 0.533 -13.633 -0.479 49 HZ2 LYS 10 1HZ LYS 10 -0.033 -12.516 -1.617 50 HZ3 LYS 10 2HZ LYS 10 0.415 -14.071 -2.109 51 H LYS 11 H LYS 11 -2.504 -12.379 -5.207 52 HA LYS 11 HA LYS 11 -2.740 -9.634 -4.237 53 HB2 LYS 11 1HB LYS 11 -0.636 -11.206 -4.078 54 HB3 LYS 11 2HB LYS 11 -0.354 -10.657 -5.725 55 HG2 LYS 11 1HG LYS 11 0.901 -9.264 -4.264 56 HG3 LYS 11 2HG LYS 11 -0.450 -8.312 -4.883 57 HD2 LYS 11 1HD LYS 11 -0.129 -7.942 -2.488 58 HD3 LYS 11 2HD LYS 11 -1.686 -8.709 -2.812 59 HE2 LYS 11 1HE LYS 11 -0.852 -10.842 -2.123 60 HE3 LYS 11 2HE LYS 11 0.796 -10.224 -2.020 61 HZ1 LYS 11 3HZ LYS 11 -0.067 -8.677 -0.260 62 HZ2 LYS 11 1HZ LYS 11 -0.030 -10.314 0.169 63 HZ3 LYS 11 2HZ LYS 11 -1.495 -9.584 -0.254 64 H LEU 12 H LEU 12 -2.107 -7.852 -5.688 65 HA LEU 12 HA LEU 12 -2.689 -8.379 -8.517 66 HB2 LEU 12 1HB LEU 12 -3.790 -5.888 -8.050 67 HB3 LEU 12 2HB LEU 12 -4.667 -7.394 -8.314 68 HG LEU 12 HG LEU 12 -5.527 -6.192 -6.377 69 HD11 LEU 12 1HD1 LEU 12 -4.224 -8.380 -4.957 70 HD12 LEU 12 2HD1 LEU 12 -4.906 -8.856 -6.513 71 HD13 LEU 12 3HD1 LEU 12 -5.933 -8.101 -5.294 72 HD21 LEU 12 3HD2 LEU 12 -2.934 -5.467 -5.917 73 HD22 LEU 12 1HD2 LEU 12 -3.202 -6.690 -4.675 74 HD23 LEU 12 2HD2 LEU 12 -4.261 -5.283 -4.769 75 H PHE 13 H PHE 13 -1.267 -6.309 -6.070 76 HA PHE 13 HA PHE 13 0.559 -5.255 -8.115 77 HB2 PHE 13 1HB PHE 13 0.511 -3.097 -6.634 78 HB3 PHE 13 2HB PHE 13 -0.750 -3.363 -7.833 79 HD1 PHE 13 HD1 PHE 13 -0.068 -4.224 -4.265 80 HD2 PHE 13 HD2 PHE 13 -2.899 -2.942 -7.172 81 HE1 PHE 13 HE1 PHE 13 -1.775 -4.019 -2.506 82 HE2 PHE 13 HE2 PHE 13 -4.611 -2.733 -5.418 83 HZ PHE 13 HZ PHE 13 -4.051 -3.271 -3.081 84 H LYS 14 H LYS 14 2.662 -4.826 -7.421 85 HA LYS 14 HA LYS 14 3.326 -5.564 -4.660 86 HB2 LYS 14 1HB LYS 14 3.963 -7.567 -5.551 87 HB3 LYS 14 2HB LYS 14 4.215 -6.896 -7.157 88 HG2 LYS 14 1HG LYS 14 6.377 -6.321 -6.733 89 HG3 LYS 14 2HG LYS 14 6.095 -6.091 -5.006 90 HD2 LYS 14 1HD LYS 14 5.844 -8.568 -4.796 91 HD3 LYS 14 2HD LYS 14 6.334 -8.708 -6.486 92 HE2 LYS 14 1HE LYS 14 8.420 -7.417 -5.830 93 HE3 LYS 14 2HE LYS 14 7.943 -7.694 -4.155 94 HZ1 LYS 14 3HZ LYS 14 9.323 -9.422 -5.858 95 HZ2 LYS 14 1HZ LYS 14 7.819 -10.130 -5.539 96 HZ3 LYS 14 2HZ LYS 14 8.839 -9.699 -4.260 97 H CYS 15 H CYS 15 4.342 -3.891 -3.790 98 HA CYS 15 HA CYS 15 5.460 -1.768 -5.272 99 HB2 CYS 15 1HB CYS 15 4.599 -1.504 -2.980 100 HB3 CYS 15 2HB CYS 15 5.912 -2.508 -2.373 101 H ASN 16 H ASN 16 7.252 -1.850 -6.444 102 HA ASN 16 HA ASN 16 9.312 -3.802 -5.895 103 HB2 ASN 16 1HB ASN 16 8.433 -2.952 -8.215 104 HB3 ASN 16 2HB ASN 16 9.588 -1.648 -7.960 105 HD21 ASN 16 1HD2 ASN 16 9.168 -5.035 -8.550 106 HD22 ASN 16 2HD2 ASN 16 10.817 -5.385 -8.927 107 H GLU 17 H GLU 17 8.755 -1.460 -4.071 108 HA GLU 17 HA GLU 17 11.432 -0.234 -4.126 109 HB2 GLU 17 1HB GLU 17 9.083 0.831 -2.576 110 HB3 GLU 17 2HB GLU 17 10.553 1.673 -3.047 111 HG2 GLU 17 1HG GLU 17 9.698 1.198 -5.468 112 HG3 GLU 17 2HG GLU 17 8.139 1.023 -4.664 113 H CYS 18 H CYS 18 8.994 -1.709 -2.035 114 HA CYS 18 HA CYS 18 11.137 -2.389 -0.143 115 HB2 CYS 18 1HB CYS 18 9.726 -1.888 1.752 116 HB3 CYS 18 2HB CYS 18 9.821 -0.460 0.727 117 H LYS 19 H LYS 19 8.878 -3.499 -2.207 118 HA LYS 19 HA LYS 19 7.900 -5.520 -2.572 119 HB2 LYS 19 1HB LYS 19 9.913 -6.254 -0.459 120 HB3 LYS 19 2HB LYS 19 8.809 -7.451 -1.125 121 HG2 LYS 19 1HG LYS 19 10.730 -7.705 -2.398 122 HG3 LYS 19 2HG LYS 19 9.693 -6.701 -3.414 123 HD2 LYS 19 1HD LYS 19 11.676 -5.553 -3.567 124 HD3 LYS 19 2HD LYS 19 10.936 -4.738 -2.187 125 HE2 LYS 19 1HE LYS 19 13.137 -5.169 -1.511 126 HE3 LYS 19 2HE LYS 19 12.180 -6.433 -0.740 127 HZ1 LYS 19 3HZ LYS 19 14.032 -6.646 -3.020 128 HZ2 LYS 19 1HZ LYS 19 12.787 -7.776 -2.835 129 HZ3 LYS 19 2HZ LYS 19 13.949 -7.592 -1.620 130 H LYS 20 H LYS 20 6.438 -3.766 -1.054 131 HA LYS 20 HA LYS 20 5.136 -5.533 0.913 132 HB2 LYS 20 1HB LYS 20 6.152 -3.583 1.988 133 HB3 LYS 20 2HB LYS 20 5.273 -2.512 0.905 134 HG2 LYS 20 1HG LYS 20 3.222 -2.976 1.920 135 HG3 LYS 20 2HG LYS 20 3.840 -4.429 2.709 136 HD2 LYS 20 1HD LYS 20 5.115 -1.823 3.367 137 HD3 LYS 20 2HD LYS 20 3.514 -2.158 4.030 138 HE2 LYS 20 1HE LYS 20 4.825 -3.033 5.687 139 HE3 LYS 20 2HE LYS 20 4.627 -4.457 4.667 140 HZ1 LYS 20 3HZ LYS 20 6.998 -3.318 5.463 141 HZ2 LYS 20 1HZ LYS 20 6.851 -2.899 3.831 142 HZ3 LYS 20 2HZ LYS 20 6.798 -4.525 4.295 143 H THR 21 H THR 21 2.808 -5.284 1.120 144 HA THR 21 HA THR 21 1.452 -4.037 -1.149 145 HB THR 21 HB THR 21 0.067 -6.091 -1.500 146 HG1 THR 21 HG1 THR 21 1.815 -7.023 0.466 147 HG21 THR 21 3HG2 THR 21 2.307 -5.403 -2.734 148 HG22 THR 21 1HG2 THR 21 1.486 -6.920 -3.098 149 HG23 THR 21 2HG2 THR 21 2.882 -6.909 -2.020 150 H PHE 22 H PHE 22 -1.059 -4.572 -0.836 151 HA PHE 22 HA PHE 22 -1.881 -4.675 1.927 152 HB2 PHE 22 1HB PHE 22 -2.548 -2.165 0.394 153 HB3 PHE 22 2HB PHE 22 -2.795 -2.492 2.107 154 HD1 PHE 22 HD1 PHE 22 -0.184 -1.947 -0.462 155 HD2 PHE 22 HD2 PHE 22 -1.157 -1.944 3.682 156 HE1 PHE 22 HE1 PHE 22 1.984 -0.899 0.043 157 HE2 PHE 22 HE2 PHE 22 1.009 -0.895 4.193 158 HZ PHE 22 HZ PHE 22 2.582 -0.370 2.373 159 H THR 23 H THR 23 -4.207 -4.735 2.171 160 HA THR 23 HA THR 23 -5.464 -6.058 -0.070 161 HB THR 23 HB THR 23 -5.740 -6.909 2.245 162 HG1 THR 23 HG1 THR 23 -7.384 -7.637 1.065 163 HG21 THR 23 3HG2 THR 23 -6.025 -4.403 3.064 164 HG22 THR 23 1HG2 THR 23 -6.765 -5.747 3.930 165 HG23 THR 23 2HG2 THR 23 -7.731 -4.774 2.821 166 H GLN 24 H GLN 24 -4.901 -3.057 0.040 167 HA GLN 24 HA GLN 24 -7.462 -2.270 -1.080 168 HB2 GLN 24 1HB GLN 24 -6.314 -1.125 1.424 169 HB3 GLN 24 2HB GLN 24 -7.130 -0.038 0.308 170 HG2 GLN 24 1HG GLN 24 -8.312 -2.487 1.598 171 HG3 GLN 24 2HG GLN 24 -8.654 -0.809 2.018 172 HE21 GLN 24 1HE2 GLN 24 -10.114 -3.258 0.746 173 HE22 GLN 24 2HE2 GLN 24 -11.018 -2.527 -0.532 174 H SER 25 H SER 25 -6.854 -1.633 -3.040 175 HA SER 25 HA SER 25 -4.395 -0.897 -3.946 176 HB2 SER 25 1HB SER 25 -5.440 -0.039 -5.881 177 HB3 SER 25 2HB SER 25 -6.574 -1.242 -5.268 178 HG SER 25 HG SER 25 -6.925 1.409 -5.618 179 H SER 26 H SER 26 -6.819 1.213 -2.478 180 HA SER 26 HA SER 26 -5.600 3.674 -2.923 181 HB2 SER 26 1HB SER 26 -7.407 2.665 -0.736 182 HB3 SER 26 2HB SER 26 -6.797 4.319 -0.722 183 HG SER 26 HG SER 26 -8.853 4.072 -1.779 184 H SER 27 H SER 27 -4.958 1.224 -0.496 185 HA SER 27 HA SER 27 -3.300 2.785 1.177 186 HB2 SER 27 1HB SER 27 -3.475 -0.200 0.734 187 HB3 SER 27 2HB SER 27 -2.437 0.536 1.955 188 HG SER 27 HG SER 27 -4.195 0.345 3.118 189 H LEU 28 H LEU 28 -2.521 0.489 -1.429 190 HA LEU 28 HA LEU 28 0.223 0.596 -1.365 191 HB2 LEU 28 1HB LEU 28 -0.886 -0.914 -2.835 192 HB3 LEU 28 2HB LEU 28 -1.650 0.409 -3.713 193 HG LEU 28 HG LEU 28 0.432 1.025 -4.726 194 HD11 LEU 28 1HD1 LEU 28 1.625 -0.984 -2.836 195 HD12 LEU 28 2HD1 LEU 28 2.013 0.727 -3.006 196 HD13 LEU 28 3HD1 LEU 28 2.470 -0.409 -4.274 197 HD21 LEU 28 3HD2 LEU 28 0.327 -0.595 -6.260 198 HD22 LEU 28 1HD2 LEU 28 -0.895 -1.328 -5.221 199 HD23 LEU 28 2HD2 LEU 28 0.788 -1.844 -5.102 200 H THR 29 H THR 29 -1.892 2.694 -3.327 201 HA THR 29 HA THR 29 0.040 4.340 -4.416 202 HB THR 29 HB THR 29 -2.809 4.927 -3.629 203 HG1 THR 29 HG1 THR 29 -1.477 4.494 -6.114 204 HG21 THR 29 3HG2 THR 29 -0.838 6.730 -5.031 205 HG22 THR 29 1HG2 THR 29 -1.715 7.056 -3.537 206 HG23 THR 29 2HG2 THR 29 -2.585 6.967 -5.068 207 H VAL 30 H VAL 30 -1.903 5.079 -1.511 208 HA VAL 30 HA VAL 30 -0.574 7.380 -0.737 209 HB VAL 30 HB VAL 30 -2.028 5.294 0.865 210 HG11 VAL 30 1HG1 VAL 30 -0.219 7.342 1.852 211 HG12 VAL 30 2HG1 VAL 30 -1.852 7.512 2.498 212 HG13 VAL 30 3HG1 VAL 30 -0.975 5.995 2.702 213 HG21 VAL 30 3HG2 VAL 30 -2.673 7.827 -0.460 214 HG22 VAL 30 1HG2 VAL 30 -3.712 6.463 -0.047 215 HG23 VAL 30 2HG2 VAL 30 -3.319 7.674 1.174 216 H HIS 31 H HIS 31 0.229 4.010 -0.079 217 HA HIS 31 HA HIS 31 2.355 4.579 1.730 218 HB2 HIS 31 1HB HIS 31 1.663 2.420 2.038 219 HB3 HIS 31 2HB HIS 31 1.313 2.173 0.330 220 HD1 HIS 31 HD1 HIS 31 4.349 2.467 2.600 221 HD2 HIS 31 HD2 HIS 31 3.168 0.673 -0.956 222 HE1 HIS 31 HE1 HIS 31 6.286 1.024 1.900 223 H GLN 32 H GLN 32 2.074 4.425 -1.720 224 HA GLN 32 HA GLN 32 4.834 4.053 -2.301 225 HB2 GLN 32 1HB GLN 32 2.668 3.824 -3.808 226 HB3 GLN 32 2HB GLN 32 3.038 5.499 -4.195 227 HG2 GLN 32 1HG GLN 32 4.144 4.383 -5.862 228 HG3 GLN 32 2HG GLN 32 5.423 4.587 -4.666 229 HE21 GLN 32 1HE2 GLN 32 2.789 2.295 -5.324 230 HE22 GLN 32 2HE2 GLN 32 3.747 0.873 -5.115 231 H ARG 33 H ARG 33 2.782 6.864 -1.803 232 HA ARG 33 HA ARG 33 4.413 8.882 -2.757 233 HB2 ARG 33 1HB ARG 33 2.671 8.964 -0.286 234 HB3 ARG 33 2HB ARG 33 3.270 10.363 -1.168 235 HG2 ARG 33 1HG ARG 33 1.792 10.096 -2.880 236 HG3 ARG 33 2HG ARG 33 1.692 8.347 -2.667 237 HD2 ARG 33 1HD ARG 33 -0.369 9.005 -1.891 238 HD3 ARG 33 2HD ARG 33 0.567 8.986 -0.396 239 HE ARG 33 HE ARG 33 0.859 11.523 -1.161 240 HH11 ARG 33 1HH1 ARG 33 -1.969 9.499 -1.006 241 HH12 ARG 33 2HH1 ARG 33 -3.053 10.813 -0.690 242 HH21 ARG 33 1HH2 ARG 33 -0.557 13.262 -0.745 243 HH22 ARG 33 2HH2 ARG 33 -2.248 12.954 -0.543 244 H ILE 34 H ILE 34 4.987 6.758 -0.170 245 HA ILE 34 HA ILE 34 6.665 8.465 1.398 246 HB ILE 34 HB ILE 34 6.195 5.499 1.358 247 HG12 ILE 34 1HG1 ILE 34 5.603 6.159 3.815 248 HG13 ILE 34 2HG1 ILE 34 5.535 7.797 3.173 249 HG21 ILE 34 1HG2 ILE 34 8.234 7.002 2.989 250 HG22 ILE 34 2HG2 ILE 34 7.690 5.364 3.346 251 HG23 ILE 34 3HG2 ILE 34 8.534 5.703 1.835 252 HD11 ILE 34 3HD1 ILE 34 3.605 5.673 3.001 253 HD12 ILE 34 1HD1 ILE 34 3.432 7.387 2.626 254 HD13 ILE 34 2HD1 ILE 34 4.035 6.272 1.399 255 H HIS 35 H HIS 35 7.331 5.745 -0.808 256 HA HIS 35 HA HIS 35 10.144 6.066 -0.742 257 HB2 HIS 35 1HB HIS 35 8.589 4.802 -2.995 258 HB3 HIS 35 2HB HIS 35 10.227 4.430 -2.466 259 HD1 HIS 35 HD1 HIS 35 10.331 3.346 0.053 260 HD2 HIS 35 HD2 HIS 35 6.703 3.154 -1.962 261 HE1 HIS 35 HE1 HIS 35 9.007 1.554 1.220 262 H THR 36 H THR 36 7.622 7.262 -2.900 263 HA THR 36 HA THR 36 9.526 8.531 -4.666 264 HB THR 36 HB THR 36 7.596 7.780 -5.785 265 HG1 THR 36 HG1 THR 36 7.352 9.603 -6.827 266 HG21 THR 36 3HG2 THR 36 6.271 8.507 -3.330 267 HG22 THR 36 1HG2 THR 36 5.728 7.431 -4.617 268 HG23 THR 36 2HG2 THR 36 5.406 9.162 -4.720 269 H GLY 37 H GLY 37 7.444 9.438 -1.996 270 HA2 GLY 37 1HA GLY 37 7.363 12.193 -2.274 271 HA3 GLY 37 2HA GLY 37 7.363 11.352 -0.731 272 H GLU 38 H GLU 38 9.877 10.235 -0.700 273 HA GLU 38 HA GLU 38 11.479 12.144 0.383 274 HB2 GLU 38 1HB GLU 38 12.251 9.644 -1.115 275 HB3 GLU 38 2HB GLU 38 13.428 10.641 -0.272 276 HG2 GLU 38 1HG GLU 38 12.089 10.314 1.812 277 HG3 GLU 38 2HG GLU 38 11.106 9.152 0.923 278 H LYS 39 H LYS 39 13.136 13.495 -0.291 279 HA LYS 39 HA LYS 39 12.924 14.384 -3.053 280 HB2 LYS 39 1HB LYS 39 14.283 16.297 -2.308 281 HB3 LYS 39 2HB LYS 39 12.857 16.076 -1.304 282 HG2 LYS 39 1HG LYS 39 14.396 16.421 0.324 283 HG3 LYS 39 2HG LYS 39 14.558 14.670 0.159 284 HD2 LYS 39 1HD LYS 39 16.419 15.088 -1.468 285 HD3 LYS 39 2HD LYS 39 16.322 16.799 -1.045 286 HE2 LYS 39 1HE LYS 39 16.528 15.844 1.406 287 HE3 LYS 39 2HE LYS 39 17.276 14.485 0.569 288 HZ1 LYS 39 3HZ LYS 39 18.356 16.855 -0.456 289 HZ2 LYS 39 1HZ LYS 39 19.139 15.643 0.429 290 HZ3 LYS 39 2HZ LYS 39 18.421 16.947 1.232 291 HA PRO 40 HA PRO 40 16.585 12.363 -4.429 292 HB2 PRO 40 1HB PRO 40 17.203 13.975 -6.525 293 HB3 PRO 40 2HB PRO 40 15.860 12.826 -6.560 294 HG2 PRO 40 1HG PRO 40 15.817 15.775 -6.044 295 HG3 PRO 40 2HG PRO 40 14.720 14.797 -7.036 296 HD2 PRO 40 1HD PRO 40 14.086 15.609 -4.533 297 HD3 PRO 40 2HD PRO 40 13.513 14.072 -5.211 298 H SER 41 H SER 41 18.446 12.454 -3.347 299 HA SER 41 HA SER 41 19.912 15.004 -3.288 300 HB2 SER 41 1HB SER 41 18.817 14.536 -1.081 301 HB3 SER 41 2HB SER 41 19.780 13.063 -0.970 302 HG SER 41 HG SER 41 21.653 14.445 -1.152 303 H GLY 42 H GLY 42 21.894 14.834 -4.098 304 HA2 GLY 42 1HA GLY 42 23.439 12.397 -3.712 305 HA3 GLY 42 2HA GLY 42 23.042 12.797 -5.376 306 HA PRO 43 HA PRO 43 26.711 15.337 -3.514 307 HB2 PRO 43 1HB PRO 43 28.801 13.624 -3.773 308 HB3 PRO 43 2HB PRO 43 27.847 13.758 -2.291 309 HG2 PRO 43 1HG PRO 43 27.660 11.733 -4.488 310 HG3 PRO 43 2HG PRO 43 27.594 11.489 -2.733 311 HD2 PRO 43 1HD PRO 43 25.373 11.540 -4.281 312 HD3 PRO 43 2HD PRO 43 25.380 12.117 -2.602 313 H SER 44 H SER 44 25.792 13.688 -6.261 314 HA SER 44 HA SER 44 27.377 15.428 -7.946 315 HB2 SER 44 1HB SER 44 28.690 13.237 -7.507 316 HB3 SER 44 2HB SER 44 27.493 12.485 -8.563 317 HG SER 44 HG SER 44 29.342 13.200 -9.714 318 H SER 45 H SER 45 25.942 16.277 -9.286 319 HA SER 45 HA SER 45 23.352 15.586 -9.687 320 HB2 SER 45 1HB SER 45 24.649 17.617 -10.592 321 HB3 SER 45 2HB SER 45 25.006 16.605 -11.991 322 HG SER 45 HG SER 45 22.915 16.598 -12.545 323 H GLY 46 H GLY 46 22.292 13.927 -10.547 324 HA2 GLY 46 1HA GLY 46 23.386 12.501 -12.834 325 HA3 GLY 46 2HA GLY 46 23.225 11.560 -11.359 Start of MODEL 7 1 H1 GLY 1 H GLY 1 21.097 -16.948 0.790 2 HA2 GLY 1 1HA GLY 1 19.275 -14.885 1.403 3 HA3 GLY 1 2HA GLY 1 18.970 -16.229 0.313 4 H SER 2 H SER 2 18.312 -14.858 3.360 5 HA SER 2 HA SER 2 17.281 -17.273 4.560 6 HB2 SER 2 1HB SER 2 16.607 -15.819 6.411 7 HB3 SER 2 2HB SER 2 18.276 -15.489 5.949 8 HG SER 2 HG SER 2 16.956 -13.589 6.262 9 H SER 3 H SER 3 16.068 -17.034 2.162 10 HA SER 3 HA SER 3 13.296 -16.505 2.935 11 HB2 SER 3 1HB SER 3 14.279 -14.525 1.656 12 HB3 SER 3 2HB SER 3 14.351 -15.597 0.257 13 HG SER 3 HG SER 3 12.147 -14.480 1.540 14 H GLY 4 H GLY 4 11.728 -17.631 1.645 15 HA2 GLY 4 1HA GLY 4 12.761 -20.175 0.689 16 HA3 GLY 4 2HA GLY 4 11.072 -19.766 0.954 17 H SER 5 H SER 5 9.839 -19.167 -0.740 18 HA SER 5 HA SER 5 10.873 -18.044 -3.137 19 HB2 SER 5 1HB SER 5 11.579 -20.497 -3.287 20 HB3 SER 5 2HB SER 5 9.864 -20.871 -3.452 21 HG SER 5 HG SER 5 11.252 -20.460 -5.431 22 H SER 6 H SER 6 9.292 -16.877 -4.005 23 HA SER 6 HA SER 6 6.544 -17.835 -3.943 24 HB2 SER 6 1HB SER 6 7.395 -15.216 -2.686 25 HB3 SER 6 2HB SER 6 5.722 -15.666 -3.018 26 HG SER 6 HG SER 6 7.537 -16.844 -1.201 27 H GLY 7 H GLY 7 5.503 -17.349 -5.776 28 HA2 GLY 7 1HA GLY 7 6.823 -15.479 -7.624 29 HA3 GLY 7 2HA GLY 7 5.735 -16.777 -8.092 30 H ALA 8 H ALA 8 3.684 -16.269 -8.516 31 HA ALA 8 HA ALA 8 2.477 -13.922 -7.272 32 HB1 ALA 8 3HB ALA 8 2.059 -14.105 -10.194 33 HB2 ALA 8 1HB ALA 8 2.155 -12.690 -9.145 34 HB3 ALA 8 2HB ALA 8 3.630 -13.519 -9.647 35 H GLY 9 H GLY 9 0.122 -13.783 -7.731 36 HA2 GLY 9 1HA GLY 9 -1.450 -15.643 -8.980 37 HA3 GLY 9 2HA GLY 9 -1.066 -16.379 -7.431 38 H LYS 10 H LYS 10 -1.951 -15.548 -5.548 39 HA LYS 10 HA LYS 10 -4.478 -14.324 -5.785 40 HB2 LYS 10 1HB LYS 10 -4.406 -14.192 -3.309 41 HB3 LYS 10 2HB LYS 10 -3.987 -15.786 -3.923 42 HG2 LYS 10 1HG LYS 10 -1.629 -15.325 -3.575 43 HG3 LYS 10 2HG LYS 10 -2.016 -13.696 -3.015 44 HD2 LYS 10 1HD LYS 10 -3.483 -14.878 -1.260 45 HD3 LYS 10 2HD LYS 10 -2.575 -16.330 -1.688 46 HE2 LYS 10 1HE LYS 10 -1.067 -13.840 -1.065 47 HE3 LYS 10 2HE LYS 10 -1.797 -14.733 0.268 48 HZ1 LYS 10 3HZ LYS 10 0.603 -15.283 -0.507 49 HZ2 LYS 10 1HZ LYS 10 -0.178 -16.179 -1.711 50 HZ3 LYS 10 2HZ LYS 10 -0.449 -16.537 -0.081 51 H LYS 11 H LYS 11 -1.326 -13.059 -4.773 52 HA LYS 11 HA LYS 11 -1.872 -10.587 -3.852 53 HB2 LYS 11 1HB LYS 11 0.406 -11.528 -4.245 54 HB3 LYS 11 2HB LYS 11 0.235 -11.133 -5.950 55 HG2 LYS 11 1HG LYS 11 1.444 -9.345 -5.159 56 HG3 LYS 11 2HG LYS 11 -0.208 -8.727 -5.086 57 HD2 LYS 11 1HD LYS 11 0.494 -8.143 -2.996 58 HD3 LYS 11 2HD LYS 11 -0.093 -9.772 -2.651 59 HE2 LYS 11 1HE LYS 11 2.377 -10.430 -3.286 60 HE3 LYS 11 2HE LYS 11 2.701 -8.752 -2.850 61 HZ1 LYS 11 3HZ LYS 11 2.266 -9.136 -0.679 62 HZ2 LYS 11 1HZ LYS 11 2.732 -10.710 -1.088 63 HZ3 LYS 11 2HZ LYS 11 1.091 -10.313 -0.987 64 H LEU 12 H LEU 12 -2.061 -8.471 -4.774 65 HA LEU 12 HA LEU 12 -3.125 -8.426 -7.516 66 HB2 LEU 12 1HB LEU 12 -4.564 -6.465 -6.397 67 HB3 LEU 12 2HB LEU 12 -5.124 -8.131 -6.526 68 HG LEU 12 HG LEU 12 -5.538 -7.058 -4.313 69 HD11 LEU 12 1HD1 LEU 12 -5.135 -9.580 -4.814 70 HD12 LEU 12 2HD1 LEU 12 -5.202 -9.014 -3.145 71 HD13 LEU 12 3HD1 LEU 12 -3.643 -9.329 -3.907 72 HD21 LEU 12 3HD2 LEU 12 -3.919 -6.134 -3.081 73 HD22 LEU 12 1HD2 LEU 12 -2.958 -6.149 -4.560 74 HD23 LEU 12 2HD2 LEU 12 -2.801 -7.462 -3.393 75 H PHE 13 H PHE 13 -1.142 -7.033 -5.107 76 HA PHE 13 HA PHE 13 -0.362 -4.917 -6.987 77 HB2 PHE 13 1HB PHE 13 -0.494 -4.445 -4.012 78 HB3 PHE 13 2HB PHE 13 -0.267 -3.257 -5.290 79 HD1 PHE 13 HD2 PHE 13 -2.343 -3.715 -7.169 80 HD2 PHE 13 HD1 PHE 13 -2.477 -4.078 -2.930 81 HE1 PHE 13 HE2 PHE 13 -4.768 -3.302 -7.214 82 HE2 PHE 13 HE1 PHE 13 -4.903 -3.667 -2.968 83 HZ PHE 13 HZ PHE 13 -6.051 -3.277 -5.112 84 H LYS 14 H LYS 14 1.814 -4.371 -6.986 85 HA LYS 14 HA LYS 14 3.579 -5.865 -5.182 86 HB2 LYS 14 1HB LYS 14 3.721 -7.279 -7.023 87 HB3 LYS 14 2HB LYS 14 3.546 -5.962 -8.175 88 HG2 LYS 14 1HG LYS 14 5.777 -6.696 -8.339 89 HG3 LYS 14 2HG LYS 14 5.826 -5.175 -7.445 90 HD2 LYS 14 1HD LYS 14 5.631 -6.812 -5.372 91 HD3 LYS 14 2HD LYS 14 6.345 -7.952 -6.514 92 HE2 LYS 14 1HE LYS 14 7.978 -5.901 -6.942 93 HE3 LYS 14 2HE LYS 14 7.493 -5.499 -5.295 94 HZ1 LYS 14 3HZ LYS 14 9.535 -6.962 -5.603 95 HZ2 LYS 14 1HZ LYS 14 8.454 -8.203 -5.996 96 HZ3 LYS 14 2HZ LYS 14 8.383 -7.471 -4.473 97 H CYS 15 H CYS 15 4.497 -4.234 -4.092 98 HA CYS 15 HA CYS 15 5.173 -1.742 -5.396 99 HB2 CYS 15 1HB CYS 15 4.303 -1.653 -3.134 100 HB3 CYS 15 2HB CYS 15 5.590 -2.709 -2.561 101 H ASN 16 H ASN 16 6.914 -1.734 -6.669 102 HA ASN 16 HA ASN 16 9.169 -3.455 -6.192 103 HB2 ASN 16 1HB ASN 16 8.936 -1.188 -8.180 104 HB3 ASN 16 2HB ASN 16 10.084 -2.522 -8.224 105 HD21 ASN 16 1HD2 ASN 16 7.467 -1.402 -9.688 106 HD22 ASN 16 2HD2 ASN 16 6.707 -2.875 -10.174 107 H GLU 17 H GLU 17 8.789 -1.845 -3.982 108 HA GLU 17 HA GLU 17 11.235 -0.223 -4.049 109 HB2 GLU 17 1HB GLU 17 8.820 0.659 -2.488 110 HB3 GLU 17 2HB GLU 17 10.253 1.588 -2.904 111 HG2 GLU 17 1HG GLU 17 9.397 1.108 -5.362 112 HG3 GLU 17 2HG GLU 17 7.852 0.970 -4.525 113 H CYS 18 H CYS 18 8.782 -1.764 -1.997 114 HA CYS 18 HA CYS 18 10.935 -2.574 -0.170 115 HB2 CYS 18 1HB CYS 18 9.544 -2.105 1.767 116 HB3 CYS 18 2HB CYS 18 9.737 -0.640 0.809 117 H LYS 19 H LYS 19 8.812 -3.640 -2.290 118 HA LYS 19 HA LYS 19 7.705 -5.590 -2.679 119 HB2 LYS 19 1HB LYS 19 9.550 -6.544 -0.482 120 HB3 LYS 19 2HB LYS 19 8.585 -7.605 -1.500 121 HG2 LYS 19 1HG LYS 19 10.703 -7.641 -2.467 122 HG3 LYS 19 2HG LYS 19 9.788 -6.515 -3.472 123 HD2 LYS 19 1HD LYS 19 10.808 -4.631 -2.414 124 HD3 LYS 19 2HD LYS 19 11.554 -5.656 -1.185 125 HE2 LYS 19 1HE LYS 19 12.150 -5.940 -4.120 126 HE3 LYS 19 2HE LYS 19 13.057 -4.854 -3.068 127 HZ1 LYS 19 3HZ LYS 19 13.318 -6.976 -1.629 128 HZ2 LYS 19 1HZ LYS 19 14.308 -6.758 -2.984 129 HZ3 LYS 19 2HZ LYS 19 12.972 -7.792 -3.069 130 H LYS 20 H LYS 20 6.207 -3.898 -1.220 131 HA LYS 20 HA LYS 20 4.877 -5.672 0.720 132 HB2 LYS 20 1HB LYS 20 6.024 -3.732 1.799 133 HB3 LYS 20 2HB LYS 20 4.993 -2.655 0.866 134 HG2 LYS 20 1HG LYS 20 3.027 -3.835 1.947 135 HG3 LYS 20 2HG LYS 20 4.202 -4.559 3.047 136 HD2 LYS 20 1HD LYS 20 4.953 -2.013 3.274 137 HD3 LYS 20 2HD LYS 20 3.264 -1.751 2.836 138 HE2 LYS 20 1HE LYS 20 2.715 -3.438 4.676 139 HE3 LYS 20 2HE LYS 20 4.382 -3.218 5.207 140 HZ1 LYS 20 3HZ LYS 20 3.923 -0.824 5.398 141 HZ2 LYS 20 1HZ LYS 20 2.951 -1.752 6.426 142 HZ3 LYS 20 2HZ LYS 20 2.303 -1.109 5.002 143 H THR 21 H THR 21 2.592 -5.538 0.824 144 HA THR 21 HA THR 21 1.314 -4.155 -1.438 145 HB THR 21 HB THR 21 1.559 -6.567 -1.962 146 HG1 THR 21 HG1 THR 21 -0.235 -6.159 -2.993 147 HG21 THR 21 3HG2 THR 21 -0.056 -6.867 0.561 148 HG22 THR 21 1HG2 THR 21 1.483 -7.624 0.153 149 HG23 THR 21 2HG2 THR 21 0.009 -8.120 -0.678 150 H PHE 22 H PHE 22 -1.176 -4.247 -1.138 151 HA PHE 22 HA PHE 22 -1.965 -4.091 1.667 152 HB2 PHE 22 1HB PHE 22 -2.303 -1.801 -0.282 153 HB3 PHE 22 2HB PHE 22 -3.028 -1.876 1.320 154 HD1 PHE 22 HD1 PHE 22 0.291 -2.058 -0.360 155 HD2 PHE 22 HD2 PHE 22 -1.913 -0.934 3.103 156 HE1 PHE 22 HE1 PHE 22 2.318 -1.045 0.597 157 HE2 PHE 22 HE2 PHE 22 0.110 0.082 4.065 158 HZ PHE 22 HZ PHE 22 2.229 0.028 2.812 159 H THR 23 H THR 23 -4.287 -4.032 1.968 160 HA THR 23 HA THR 23 -5.644 -5.594 -0.064 161 HB THR 23 HB THR 23 -5.846 -6.234 2.310 162 HG1 THR 23 HG1 THR 23 -8.403 -5.369 1.465 163 HG21 THR 23 3HG2 THR 23 -7.042 -3.493 2.522 164 HG22 THR 23 1HG2 THR 23 -5.833 -4.261 3.549 165 HG23 THR 23 2HG2 THR 23 -7.519 -4.770 3.640 166 H GLN 24 H GLN 24 -5.045 -2.567 -0.187 167 HA GLN 24 HA GLN 24 -7.586 -1.869 -1.387 168 HB2 GLN 24 1HB GLN 24 -6.565 -0.616 1.113 169 HB3 GLN 24 2HB GLN 24 -7.312 0.436 -0.081 170 HG2 GLN 24 1HG GLN 24 -9.298 -1.095 -0.040 171 HG3 GLN 24 2HG GLN 24 -8.552 -1.903 1.338 172 HE21 GLN 24 1HE2 GLN 24 -9.363 -1.273 3.190 173 HE22 GLN 24 2HE2 GLN 24 -9.919 0.316 3.579 174 H SER 25 H SER 25 -7.019 -1.177 -3.332 175 HA SER 25 HA SER 25 -4.579 -0.547 -4.306 176 HB2 SER 25 1HB SER 25 -5.716 0.788 -6.062 177 HB3 SER 25 2HB SER 25 -6.535 -0.741 -5.747 178 HG SER 25 HG SER 25 -7.448 1.801 -5.457 179 H SER 26 H SER 26 -6.746 1.642 -2.594 180 HA SER 26 HA SER 26 -5.208 3.990 -3.012 181 HB2 SER 26 1HB SER 26 -7.613 3.993 -2.358 182 HB3 SER 26 2HB SER 26 -7.148 3.406 -0.761 183 HG SER 26 HG SER 26 -7.369 5.853 -1.357 184 H SER 27 H SER 27 -5.212 1.485 -0.550 185 HA SER 27 HA SER 27 -3.615 2.750 1.369 186 HB2 SER 27 1HB SER 27 -4.031 -0.156 0.677 187 HB3 SER 27 2HB SER 27 -2.991 0.348 2.009 188 HG SER 27 HG SER 27 -4.801 1.410 2.915 189 H LEU 28 H LEU 28 -2.740 0.805 -1.453 190 HA LEU 28 HA LEU 28 0.045 0.766 -0.946 191 HB2 LEU 28 1HB LEU 28 -0.755 -0.869 -2.415 192 HB3 LEU 28 2HB LEU 28 -1.638 0.309 -3.384 193 HG LEU 28 HG LEU 28 0.425 1.126 -4.342 194 HD11 LEU 28 1HD1 LEU 28 1.660 -0.638 -2.277 195 HD12 LEU 28 2HD1 LEU 28 2.072 1.012 -2.741 196 HD13 LEU 28 3HD1 LEU 28 2.513 -0.335 -3.791 197 HD21 LEU 28 3HD2 LEU 28 0.562 -0.535 -5.848 198 HD22 LEU 28 1HD2 LEU 28 -0.737 -1.262 -4.902 199 HD23 LEU 28 2HD2 LEU 28 0.935 -1.751 -4.626 200 H THR 29 H THR 29 -1.907 2.732 -3.187 201 HA THR 29 HA THR 29 0.080 4.313 -4.253 202 HB THR 29 HB THR 29 -2.722 5.200 -3.536 203 HG1 THR 29 HG1 THR 29 -2.857 4.707 -5.952 204 HG21 THR 29 3HG2 THR 29 -2.443 6.867 -5.286 205 HG22 THR 29 1HG2 THR 29 -0.799 6.305 -5.588 206 HG23 THR 29 2HG2 THR 29 -1.201 7.071 -4.051 207 H VAL 30 H VAL 30 -1.889 5.050 -1.371 208 HA VAL 30 HA VAL 30 -0.591 7.431 -0.680 209 HB VAL 30 HB VAL 30 -2.761 6.639 0.275 210 HG11 VAL 30 1HG1 VAL 30 -0.978 4.582 1.374 211 HG12 VAL 30 2HG1 VAL 30 -2.127 5.265 2.526 212 HG13 VAL 30 3HG1 VAL 30 -2.707 4.524 1.034 213 HG21 VAL 30 3HG2 VAL 30 -0.564 7.922 1.688 214 HG22 VAL 30 1HG2 VAL 30 -2.261 8.388 1.571 215 HG23 VAL 30 2HG2 VAL 30 -1.753 7.205 2.776 216 H HIS 31 H HIS 31 0.408 4.159 -0.367 217 HA HIS 31 HA HIS 31 2.426 4.783 1.644 218 HB2 HIS 31 1HB HIS 31 1.704 2.685 2.168 219 HB3 HIS 31 2HB HIS 31 1.257 2.308 0.507 220 HD1 HIS 31 HD1 HIS 31 4.246 2.362 2.801 221 HD2 HIS 31 HD2 HIS 31 3.149 0.915 -0.936 222 HE1 HIS 31 HE1 HIS 31 6.125 0.851 2.087 223 H GLN 32 H GLN 32 2.102 4.745 -1.721 224 HA GLN 32 HA GLN 32 4.747 3.966 -2.434 225 HB2 GLN 32 1HB GLN 32 2.509 4.211 -3.856 226 HB3 GLN 32 2HB GLN 32 3.185 5.801 -4.183 227 HG2 GLN 32 1HG GLN 32 4.138 4.713 -5.904 228 HG3 GLN 32 2HG GLN 32 5.343 4.310 -4.682 229 HE21 GLN 32 1HE2 GLN 32 4.497 2.315 -3.307 230 HE22 GLN 32 2HE2 GLN 32 4.046 0.955 -4.272 231 H ARG 33 H ARG 33 3.143 7.115 -2.063 232 HA ARG 33 HA ARG 33 5.102 8.839 -2.839 233 HB2 ARG 33 1HB ARG 33 3.554 9.274 -0.289 234 HB3 ARG 33 2HB ARG 33 4.125 10.483 -1.432 235 HG2 ARG 33 1HG ARG 33 1.986 10.443 -2.118 236 HG3 ARG 33 2HG ARG 33 2.529 9.043 -3.044 237 HD2 ARG 33 1HD ARG 33 0.712 8.121 -2.028 238 HD3 ARG 33 2HD ARG 33 1.923 7.787 -0.792 239 HE ARG 33 HE ARG 33 0.717 9.108 0.608 240 HH11 ARG 33 1HH1 ARG 33 0.088 10.128 -2.660 241 HH12 ARG 33 2HH1 ARG 33 -1.058 11.343 -2.199 242 HH21 ARG 33 1HH2 ARG 33 -0.789 10.705 1.228 243 HH22 ARG 33 2HH2 ARG 33 -1.555 11.671 0.013 244 H ILE 34 H ILE 34 4.975 6.978 0.139 245 HA ILE 34 HA ILE 34 6.912 8.186 1.665 246 HB ILE 34 HB ILE 34 6.270 5.264 1.331 247 HG12 ILE 34 1HG1 ILE 34 5.291 5.601 3.609 248 HG13 ILE 34 2HG1 ILE 34 5.669 7.315 3.472 249 HG21 ILE 34 1HG2 ILE 34 8.592 6.416 2.550 250 HG22 ILE 34 2HG2 ILE 34 7.586 5.653 3.782 251 HG23 ILE 34 3HG2 ILE 34 8.141 4.718 2.393 252 HD11 ILE 34 3HD1 ILE 34 3.995 5.970 1.398 253 HD12 ILE 34 1HD1 ILE 34 3.288 6.492 2.927 254 HD13 ILE 34 2HD1 ILE 34 4.054 7.670 1.861 255 H HIS 35 H HIS 35 7.408 5.735 -0.864 256 HA HIS 35 HA HIS 35 10.247 5.754 -0.635 257 HB2 HIS 35 1HB HIS 35 8.652 4.866 -3.039 258 HB3 HIS 35 2HB HIS 35 10.257 4.327 -2.554 259 HD1 HIS 35 HD1 HIS 35 10.208 3.076 -0.059 260 HD2 HIS 35 HD2 HIS 35 6.711 3.143 -2.301 261 HE1 HIS 35 HE1 HIS 35 8.772 1.237 0.880 262 H THR 36 H THR 36 7.921 7.553 -2.521 263 HA THR 36 HA THR 36 10.143 9.086 -3.708 264 HB THR 36 HB THR 36 9.054 7.890 -5.490 265 HG1 THR 36 HG1 THR 36 8.253 10.625 -5.384 266 HG21 THR 36 3HG2 THR 36 6.897 7.345 -5.416 267 HG22 THR 36 1HG2 THR 36 6.446 9.047 -5.494 268 HG23 THR 36 2HG2 THR 36 6.722 8.278 -3.930 269 H GLY 37 H GLY 37 9.457 9.968 -1.333 270 HA2 GLY 37 1HA GLY 37 8.474 12.579 -1.804 271 HA3 GLY 37 2HA GLY 37 7.222 11.607 -1.045 272 H GLU 38 H GLU 38 8.881 10.024 0.609 273 HA GLU 38 HA GLU 38 8.928 11.250 2.974 274 HB2 GLU 38 1HB GLU 38 10.634 9.748 3.728 275 HB3 GLU 38 2HB GLU 38 9.665 8.901 2.531 276 HG2 GLU 38 1HG GLU 38 11.351 9.122 0.881 277 HG3 GLU 38 2HG GLU 38 12.267 10.252 1.876 278 H LYS 39 H LYS 39 10.291 12.535 4.225 279 HA LYS 39 HA LYS 39 11.398 14.767 3.159 280 HB2 LYS 39 1HB LYS 39 12.231 13.275 5.647 281 HB3 LYS 39 2HB LYS 39 12.835 14.876 5.243 282 HG2 LYS 39 1HG LYS 39 10.658 15.825 5.411 283 HG3 LYS 39 2HG LYS 39 9.913 14.230 5.549 284 HD2 LYS 39 1HD LYS 39 9.956 14.884 7.753 285 HD3 LYS 39 2HD LYS 39 11.488 14.014 7.634 286 HE2 LYS 39 1HE LYS 39 12.739 15.975 7.604 287 HE3 LYS 39 2HE LYS 39 11.362 16.961 7.116 288 HZ1 LYS 39 3HZ LYS 39 10.892 17.367 9.228 289 HZ2 LYS 39 1HZ LYS 39 12.313 16.567 9.679 290 HZ3 LYS 39 2HZ LYS 39 10.852 15.719 9.607 291 HA PRO 40 HA PRO 40 15.153 13.769 1.113 292 HB2 PRO 40 1HB PRO 40 16.593 16.028 1.552 293 HB3 PRO 40 2HB PRO 40 15.223 15.964 0.437 294 HG2 PRO 40 1HG PRO 40 15.324 16.966 3.256 295 HG3 PRO 40 2HG PRO 40 14.519 17.675 1.844 296 HD2 PRO 40 1HD PRO 40 13.185 16.246 3.718 297 HD3 PRO 40 2HD PRO 40 12.709 16.258 2.007 298 H SER 41 H SER 41 16.341 12.183 2.017 299 HA SER 41 HA SER 41 17.974 12.866 4.374 300 HB2 SER 41 1HB SER 41 17.885 10.529 5.039 301 HB3 SER 41 2HB SER 41 16.243 11.136 4.823 302 HG SER 41 HG SER 41 17.566 9.161 3.479 303 H GLY 42 H GLY 42 19.912 11.227 4.516 304 HA2 GLY 42 1HA GLY 42 21.849 11.831 2.770 305 HA3 GLY 42 2HA GLY 42 21.771 10.245 3.524 306 HA PRO 43 HA PRO 43 20.903 10.253 -1.223 307 HB2 PRO 43 1HB PRO 43 23.416 10.136 -2.244 308 HB3 PRO 43 2HB PRO 43 22.547 11.657 -2.002 309 HG2 PRO 43 1HG PRO 43 24.638 10.376 -0.284 310 HG3 PRO 43 2HG PRO 43 24.459 12.079 -0.747 311 HD2 PRO 43 1HD PRO 43 23.673 11.135 1.667 312 HD3 PRO 43 2HD PRO 43 22.842 12.473 0.848 313 H SER 44 H SER 44 22.440 8.505 1.164 314 HA SER 44 HA SER 44 23.511 6.304 -0.195 315 HB2 SER 44 1HB SER 44 22.176 6.312 2.522 316 HB3 SER 44 2HB SER 44 23.311 5.104 1.920 317 HG SER 44 HG SER 44 23.927 7.858 2.216 318 H SER 45 H SER 45 20.396 6.358 1.543 319 HA SER 45 HA SER 45 19.233 4.750 -0.622 320 HB2 SER 45 1HB SER 45 19.905 3.225 1.212 321 HB3 SER 45 2HB SER 45 18.899 4.149 2.328 322 HG SER 45 HG SER 45 17.733 3.160 -0.014 323 H GLY 46 H GLY 46 16.859 4.741 -0.607 324 HA2 GLY 46 1HA GLY 46 15.272 6.360 1.020 325 HA3 GLY 46 2HA GLY 46 15.821 7.355 -0.320 Start of MODEL 8 1 H1 GLY 1 H GLY 1 13.539 -25.193 2.716 2 HA2 GLY 1 1HA GLY 1 11.786 -23.280 1.541 3 HA3 GLY 1 2HA GLY 1 12.551 -22.624 2.981 4 H SER 2 H SER 2 13.125 -23.917 -0.235 5 HA SER 2 HA SER 2 15.793 -22.664 -0.190 6 HB2 SER 2 1HB SER 2 14.805 -25.200 -1.425 7 HB3 SER 2 2HB SER 2 16.098 -24.317 -2.236 8 HG SER 2 HG SER 2 16.115 -25.685 0.179 9 H SER 3 H SER 3 13.173 -23.560 -2.438 10 HA SER 3 HA SER 3 13.546 -20.967 -3.771 11 HB2 SER 3 1HB SER 3 13.314 -23.675 -5.093 12 HB3 SER 3 2HB SER 3 13.066 -22.157 -5.957 13 HG SER 3 HG SER 3 15.240 -21.605 -5.094 14 H GLY 4 H GLY 4 11.423 -23.829 -3.605 15 HA2 GLY 4 1HA GLY 4 9.137 -24.012 -3.537 16 HA3 GLY 4 2HA GLY 4 9.150 -22.431 -2.769 17 H SER 5 H SER 5 8.221 -24.176 -5.481 18 HA SER 5 HA SER 5 8.391 -22.688 -7.692 19 HB2 SER 5 1HB SER 5 5.963 -24.060 -6.552 20 HB3 SER 5 2HB SER 5 5.926 -23.287 -8.137 21 HG SER 5 HG SER 5 7.376 -25.534 -7.281 22 H SER 6 H SER 6 7.681 -20.787 -8.524 23 HA SER 6 HA SER 6 7.066 -18.665 -6.821 24 HB2 SER 6 1HB SER 6 7.977 -18.652 -9.255 25 HB3 SER 6 2HB SER 6 6.277 -18.643 -9.723 26 HG SER 6 HG SER 6 7.560 -16.749 -8.040 27 H GLY 7 H GLY 7 5.209 -17.727 -6.134 28 HA2 GLY 7 1HA GLY 7 2.664 -18.108 -7.296 29 HA3 GLY 7 2HA GLY 7 2.859 -19.229 -5.956 30 H ALA 8 H ALA 8 1.370 -16.528 -6.619 31 HA ALA 8 HA ALA 8 1.913 -15.326 -3.982 32 HB1 ALA 8 3HB ALA 8 2.094 -14.115 -6.533 33 HB2 ALA 8 1HB ALA 8 0.704 -13.413 -5.705 34 HB3 ALA 8 2HB ALA 8 2.296 -13.368 -4.948 35 H GLY 9 H GLY 9 0.203 -14.969 -2.665 36 HA2 GLY 9 1HA GLY 9 -2.448 -15.721 -3.724 37 HA3 GLY 9 2HA GLY 9 -1.936 -15.968 -2.061 38 H LYS 10 H LYS 10 -4.311 -14.628 -2.909 39 HA LYS 10 HA LYS 10 -5.397 -12.584 -2.835 40 HB2 LYS 10 1HB LYS 10 -5.449 -11.741 -0.580 41 HB3 LYS 10 2HB LYS 10 -5.329 -13.494 -0.517 42 HG2 LYS 10 1HG LYS 10 -3.222 -13.460 0.348 43 HG3 LYS 10 2HG LYS 10 -2.812 -11.923 -0.417 44 HD2 LYS 10 1HD LYS 10 -4.686 -12.271 1.924 45 HD3 LYS 10 2HD LYS 10 -3.012 -11.719 2.026 46 HE2 LYS 10 1HE LYS 10 -4.005 -9.685 1.951 47 HE3 LYS 10 2HE LYS 10 -3.929 -9.978 0.214 48 HZ1 LYS 10 3HZ LYS 10 -6.128 -9.950 0.102 49 HZ2 LYS 10 1HZ LYS 10 -6.186 -9.490 1.730 50 HZ3 LYS 10 2HZ LYS 10 -6.274 -11.126 1.309 51 H LYS 11 H LYS 11 -3.021 -12.301 -4.321 52 HA LYS 11 HA LYS 11 -2.146 -9.604 -3.516 53 HB2 LYS 11 1HB LYS 11 -0.483 -11.667 -3.696 54 HB3 LYS 11 2HB LYS 11 -0.517 -11.242 -5.402 55 HG2 LYS 11 1HG LYS 11 0.009 -9.133 -3.356 56 HG3 LYS 11 2HG LYS 11 1.299 -10.232 -3.850 57 HD2 LYS 11 1HD LYS 11 -0.351 -8.647 -5.808 58 HD3 LYS 11 2HD LYS 11 1.161 -8.052 -5.119 59 HE2 LYS 11 1HE LYS 11 1.097 -10.747 -6.397 60 HE3 LYS 11 2HE LYS 11 1.139 -9.311 -7.419 61 HZ1 LYS 11 3HZ LYS 11 3.359 -9.814 -7.117 62 HZ2 LYS 11 1HZ LYS 11 3.159 -10.273 -5.501 63 HZ3 LYS 11 2HZ LYS 11 3.102 -8.638 -5.929 64 H LEU 12 H LEU 12 -2.186 -7.979 -5.018 65 HA LEU 12 HA LEU 12 -3.086 -8.646 -7.732 66 HB2 LEU 12 1HB LEU 12 -4.386 -6.318 -7.329 67 HB3 LEU 12 2HB LEU 12 -5.116 -7.910 -7.132 68 HG LEU 12 HG LEU 12 -5.671 -6.369 -5.295 69 HD11 LEU 12 1HD1 LEU 12 -5.786 -8.111 -3.915 70 HD12 LEU 12 2HD1 LEU 12 -4.030 -8.234 -3.799 71 HD13 LEU 12 3HD1 LEU 12 -4.883 -9.012 -5.133 72 HD21 LEU 12 3HD2 LEU 12 -2.964 -6.552 -4.137 73 HD22 LEU 12 1HD2 LEU 12 -4.153 -5.252 -4.053 74 HD23 LEU 12 2HD2 LEU 12 -3.155 -5.442 -5.495 75 H PHE 13 H PHE 13 -1.509 -6.414 -5.543 76 HA PHE 13 HA PHE 13 -0.131 -5.223 -7.853 77 HB2 PHE 13 1HB PHE 13 -0.752 -3.608 -5.395 78 HB3 PHE 13 2HB PHE 13 -0.320 -3.044 -7.006 79 HD1 PHE 13 HD2 PHE 13 -2.164 -4.467 -8.730 80 HD2 PHE 13 HD1 PHE 13 -2.821 -2.722 -4.904 81 HE1 PHE 13 HE2 PHE 13 -4.548 -4.186 -9.271 82 HE2 PHE 13 HE1 PHE 13 -5.206 -2.439 -5.439 83 HZ PHE 13 HZ PHE 13 -6.072 -3.170 -7.625 84 H LYS 14 H LYS 14 2.035 -4.747 -7.579 85 HA LYS 14 HA LYS 14 3.241 -5.584 -5.026 86 HB2 LYS 14 1HB LYS 14 3.450 -7.182 -7.084 87 HB3 LYS 14 2HB LYS 14 4.648 -6.020 -7.638 88 HG2 LYS 14 1HG LYS 14 5.587 -6.375 -5.188 89 HG3 LYS 14 2HG LYS 14 4.751 -7.920 -5.365 90 HD2 LYS 14 1HD LYS 14 6.748 -8.523 -6.263 91 HD3 LYS 14 2HD LYS 14 6.007 -7.857 -7.720 92 HE2 LYS 14 1HE LYS 14 7.477 -5.987 -5.946 93 HE3 LYS 14 2HE LYS 14 8.430 -7.135 -6.885 94 HZ1 LYS 14 3HZ LYS 14 6.363 -5.414 -8.121 95 HZ2 LYS 14 1HZ LYS 14 7.602 -6.275 -8.888 96 HZ3 LYS 14 2HZ LYS 14 7.970 -4.914 -7.953 97 H CYS 15 H CYS 15 4.637 -4.184 -4.155 98 HA CYS 15 HA CYS 15 5.194 -1.718 -5.587 99 HB2 CYS 15 1HB CYS 15 4.444 -1.499 -3.301 100 HB3 CYS 15 2HB CYS 15 5.723 -2.569 -2.735 101 H ASN 16 H ASN 16 6.929 -1.586 -6.836 102 HA ASN 16 HA ASN 16 9.170 -3.372 -6.491 103 HB2 ASN 16 1HB ASN 16 9.013 -1.058 -8.419 104 HB3 ASN 16 2HB ASN 16 9.974 -2.527 -8.560 105 HD21 ASN 16 1HD2 ASN 16 9.234 -3.854 -10.032 106 HD22 ASN 16 2HD2 ASN 16 7.575 -4.107 -10.444 107 H GLU 17 H GLU 17 8.868 -1.774 -4.248 108 HA GLU 17 HA GLU 17 11.338 -0.189 -4.371 109 HB2 GLU 17 1HB GLU 17 8.939 0.690 -2.772 110 HB3 GLU 17 2HB GLU 17 10.406 1.599 -3.111 111 HG2 GLU 17 1HG GLU 17 9.593 1.239 -5.610 112 HG3 GLU 17 2HG GLU 17 8.027 1.129 -4.807 113 H CYS 18 H CYS 18 8.907 -1.609 -2.194 114 HA CYS 18 HA CYS 18 11.114 -2.468 -0.444 115 HB2 CYS 18 1HB CYS 18 9.673 -2.092 1.507 116 HB3 CYS 18 2HB CYS 18 9.929 -0.598 0.610 117 H LYS 19 H LYS 19 9.115 -3.611 -2.585 118 HA LYS 19 HA LYS 19 8.038 -5.577 -2.987 119 HB2 LYS 19 1HB LYS 19 9.659 -6.670 -0.689 120 HB3 LYS 19 2HB LYS 19 9.034 -7.551 -2.077 121 HG2 LYS 19 1HG LYS 19 11.178 -5.437 -2.152 122 HG3 LYS 19 2HG LYS 19 11.432 -7.180 -2.260 123 HD2 LYS 19 1HD LYS 19 9.726 -5.627 -4.199 124 HD3 LYS 19 2HD LYS 19 11.443 -5.947 -4.455 125 HE2 LYS 19 1HE LYS 19 9.379 -8.093 -3.993 126 HE3 LYS 19 2HE LYS 19 9.893 -7.552 -5.590 127 HZ1 LYS 19 3HZ LYS 19 11.456 -8.992 -3.543 128 HZ2 LYS 19 1HZ LYS 19 12.230 -8.104 -4.757 129 HZ3 LYS 19 2HZ LYS 19 11.215 -9.393 -5.169 130 H LYS 20 H LYS 20 6.528 -3.883 -1.474 131 HA LYS 20 HA LYS 20 5.322 -5.597 0.591 132 HB2 LYS 20 1HB LYS 20 6.077 -3.356 1.330 133 HB3 LYS 20 2HB LYS 20 4.986 -2.623 0.162 134 HG2 LYS 20 1HG LYS 20 3.114 -3.139 1.377 135 HG3 LYS 20 2HG LYS 20 3.875 -4.522 2.167 136 HD2 LYS 20 1HD LYS 20 4.931 -1.787 2.712 137 HD3 LYS 20 2HD LYS 20 3.424 -2.289 3.482 138 HE2 LYS 20 1HE LYS 20 5.095 -2.868 5.018 139 HE3 LYS 20 2HE LYS 20 4.696 -4.381 4.206 140 HZ1 LYS 20 3HZ LYS 20 7.141 -3.824 4.515 141 HZ2 LYS 20 1HZ LYS 20 6.930 -2.679 3.287 142 HZ3 LYS 20 2HZ LYS 20 6.655 -4.317 2.972 143 H THR 21 H THR 21 2.956 -5.557 0.753 144 HA THR 21 HA THR 21 1.611 -5.019 -1.805 145 HB THR 21 HB THR 21 0.242 -7.151 -1.302 146 HG1 THR 21 HG1 THR 21 1.864 -7.224 0.756 147 HG21 THR 21 3HG2 THR 21 3.044 -7.061 -2.361 148 HG22 THR 21 1HG2 THR 21 1.525 -7.220 -3.242 149 HG23 THR 21 2HG2 THR 21 2.155 -8.583 -2.315 150 H PHE 22 H PHE 22 -0.590 -4.513 -1.669 151 HA PHE 22 HA PHE 22 -1.702 -4.202 1.030 152 HB2 PHE 22 1HB PHE 22 -1.622 -2.072 -1.115 153 HB3 PHE 22 2HB PHE 22 -2.604 -1.968 0.343 154 HD1 PHE 22 HD1 PHE 22 0.874 -2.176 -0.895 155 HD2 PHE 22 HD2 PHE 22 -1.685 -1.239 2.375 156 HE1 PHE 22 HE1 PHE 22 2.781 -1.196 0.312 157 HE2 PHE 22 HE2 PHE 22 0.218 -0.256 3.587 158 HZ PHE 22 HZ PHE 22 2.454 -0.234 2.556 159 H THR 23 H THR 23 -3.845 -4.625 1.212 160 HA THR 23 HA THR 23 -5.142 -5.843 -1.069 161 HB THR 23 HB THR 23 -5.282 -6.849 1.206 162 HG1 THR 23 HG1 THR 23 -7.929 -6.237 0.619 163 HG21 THR 23 3HG2 THR 23 -6.717 -4.280 1.755 164 HG22 THR 23 1HG2 THR 23 -5.503 -5.111 2.727 165 HG23 THR 23 2HG2 THR 23 -7.149 -5.741 2.643 166 H GLN 24 H GLN 24 -4.677 -2.914 -1.018 167 HA GLN 24 HA GLN 24 -7.307 -2.133 -1.897 168 HB2 GLN 24 1HB GLN 24 -6.095 -1.049 0.615 169 HB3 GLN 24 2HB GLN 24 -7.066 0.012 -0.397 170 HG2 GLN 24 1HG GLN 24 -7.935 -2.541 0.930 171 HG3 GLN 24 2HG GLN 24 -8.464 -0.902 1.302 172 HE21 GLN 24 1HE2 GLN 24 -9.776 -3.477 0.294 173 HE22 GLN 24 2HE2 GLN 24 -10.752 -2.940 -1.026 174 H SER 25 H SER 25 -6.883 -1.235 -3.794 175 HA SER 25 HA SER 25 -4.509 -0.433 -4.830 176 HB2 SER 25 1HB SER 25 -5.769 0.950 -6.431 177 HB3 SER 25 2HB SER 25 -6.572 -0.596 -6.155 178 HG SER 25 HG SER 25 -7.280 1.957 -5.174 179 H SER 26 H SER 26 -6.713 1.542 -2.900 180 HA SER 26 HA SER 26 -5.192 3.940 -3.145 181 HB2 SER 26 1HB SER 26 -7.431 3.054 -1.339 182 HB3 SER 26 2HB SER 26 -6.612 4.595 -1.079 183 HG SER 26 HG SER 26 -7.581 5.392 -2.774 184 H SER 27 H SER 27 -5.249 1.267 -0.874 185 HA SER 27 HA SER 27 -3.717 2.433 1.175 186 HB2 SER 27 1HB SER 27 -4.214 -0.416 0.338 187 HB3 SER 27 2HB SER 27 -3.129 -0.035 1.675 188 HG SER 27 HG SER 27 -5.744 1.020 1.564 189 H LEU 28 H LEU 28 -2.776 0.554 -1.677 190 HA LEU 28 HA LEU 28 -0.007 0.489 -1.087 191 HB2 LEU 28 1HB LEU 28 -0.696 -1.117 -2.609 192 HB3 LEU 28 2HB LEU 28 -1.655 0.032 -3.538 193 HG LEU 28 HG LEU 28 0.352 0.977 -4.507 194 HD11 LEU 28 1HD1 LEU 28 2.206 0.902 -3.273 195 HD12 LEU 28 2HD1 LEU 28 2.413 -0.737 -3.889 196 HD13 LEU 28 3HD1 LEU 28 1.627 -0.474 -2.333 197 HD21 LEU 28 3HD2 LEU 28 1.194 -1.654 -5.120 198 HD22 LEU 28 1HD2 LEU 28 0.151 -0.589 -6.062 199 HD23 LEU 28 2HD2 LEU 28 -0.554 -1.694 -4.882 200 H THR 29 H THR 29 -1.845 2.469 -3.416 201 HA THR 29 HA THR 29 0.149 4.061 -4.394 202 HB THR 29 HB THR 29 -2.656 4.941 -3.682 203 HG1 THR 29 HG1 THR 29 -1.513 3.542 -5.824 204 HG21 THR 29 3HG2 THR 29 -0.794 6.706 -4.187 205 HG22 THR 29 1HG2 THR 29 -2.369 6.842 -4.967 206 HG23 THR 29 2HG2 THR 29 -1.002 6.165 -5.852 207 H VAL 30 H VAL 30 -1.953 5.064 -1.688 208 HA VAL 30 HA VAL 30 -0.587 7.307 -0.895 209 HB VAL 30 HB VAL 30 -2.727 6.680 0.085 210 HG11 VAL 30 1HG1 VAL 30 -1.986 4.208 0.266 211 HG12 VAL 30 2HG1 VAL 30 -1.364 4.683 1.848 212 HG13 VAL 30 3HG1 VAL 30 -3.080 4.865 1.483 213 HG21 VAL 30 3HG2 VAL 30 -2.089 7.058 2.541 214 HG22 VAL 30 1HG2 VAL 30 -0.426 7.125 1.957 215 HG23 VAL 30 2HG2 VAL 30 -1.615 8.287 1.369 216 H HIS 31 H HIS 31 0.200 3.953 -0.255 217 HA HIS 31 HA HIS 31 2.166 4.445 1.737 218 HB2 HIS 31 1HB HIS 31 1.578 2.249 1.852 219 HB3 HIS 31 2HB HIS 31 1.274 2.130 0.121 220 HD1 HIS 31 HD1 HIS 31 4.354 2.544 2.332 221 HD2 HIS 31 HD2 HIS 31 3.087 0.542 -1.081 222 HE1 HIS 31 HE1 HIS 31 6.314 1.144 1.607 223 H GLN 32 H GLN 32 2.183 4.469 -1.741 224 HA GLN 32 HA GLN 32 4.934 4.169 -2.201 225 HB2 GLN 32 1HB GLN 32 3.029 5.853 -3.829 226 HB3 GLN 32 2HB GLN 32 4.524 5.108 -4.379 227 HG2 GLN 32 1HG GLN 32 2.444 3.316 -3.277 228 HG3 GLN 32 2HG GLN 32 2.133 4.055 -4.847 229 HE21 GLN 32 1HE2 GLN 32 3.908 1.702 -3.109 230 HE22 GLN 32 2HE2 GLN 32 4.766 1.029 -4.449 231 H ARG 33 H ARG 33 3.001 6.964 -1.321 232 HA ARG 33 HA ARG 33 4.761 9.024 -1.868 233 HB2 ARG 33 1HB ARG 33 2.919 8.778 0.517 234 HB3 ARG 33 2HB ARG 33 3.628 10.273 -0.079 235 HG2 ARG 33 1HG ARG 33 2.312 10.266 -2.008 236 HG3 ARG 33 2HG ARG 33 1.893 8.562 -1.822 237 HD2 ARG 33 1HD ARG 33 0.709 9.217 0.310 238 HD3 ARG 33 2HD ARG 33 0.939 10.895 -0.178 239 HE ARG 33 HE ARG 33 -0.355 9.192 -2.130 240 HH11 ARG 33 1HH1 ARG 33 -0.739 11.447 0.495 241 HH12 ARG 33 2HH1 ARG 33 -2.357 11.882 0.056 242 HH21 ARG 33 1HH2 ARG 33 -2.485 9.757 -2.718 243 HH22 ARG 33 2HH2 ARG 33 -3.350 10.920 -1.771 244 H ILE 34 H ILE 34 4.783 6.720 0.770 245 HA ILE 34 HA ILE 34 6.568 7.975 2.504 246 HB ILE 34 HB ILE 34 5.972 5.083 1.968 247 HG12 ILE 34 1HG1 ILE 34 5.176 5.273 4.371 248 HG13 ILE 34 2HG1 ILE 34 5.453 7.006 4.238 249 HG21 ILE 34 1HG2 ILE 34 7.921 6.126 4.019 250 HG22 ILE 34 2HG2 ILE 34 7.394 4.453 3.838 251 HG23 ILE 34 3HG2 ILE 34 8.346 5.220 2.566 252 HD11 ILE 34 3HD1 ILE 34 3.804 5.814 2.116 253 HD12 ILE 34 1HD1 ILE 34 3.102 5.816 3.734 254 HD13 ILE 34 2HD1 ILE 34 3.613 7.333 2.992 255 H HIS 35 H HIS 35 7.169 5.993 -0.353 256 HA HIS 35 HA HIS 35 9.989 5.850 -0.015 257 HB2 HIS 35 1HB HIS 35 8.420 5.571 -2.584 258 HB3 HIS 35 2HB HIS 35 10.041 4.960 -2.264 259 HD1 HIS 35 HD1 HIS 35 9.689 3.488 0.337 260 HD2 HIS 35 HD2 HIS 35 6.883 3.351 -2.723 261 HE1 HIS 35 HE1 HIS 35 8.389 1.368 0.711 262 H THR 36 H THR 36 7.823 8.079 -1.646 263 HA THR 36 HA THR 36 9.867 9.507 -3.033 264 HB THR 36 HB THR 36 8.196 11.062 -3.667 265 HG1 THR 36 HG1 THR 36 6.027 10.493 -2.351 266 HG21 THR 36 3HG2 THR 36 7.275 8.233 -3.458 267 HG22 THR 36 1HG2 THR 36 7.672 9.184 -4.888 268 HG23 THR 36 2HG2 THR 36 6.146 9.452 -4.046 269 H GLY 37 H GLY 37 8.250 9.877 0.076 270 HA2 GLY 37 1HA GLY 37 9.575 12.403 0.613 271 HA3 GLY 37 2HA GLY 37 8.482 11.546 1.690 272 H GLU 38 H GLU 38 11.403 10.292 0.138 273 HA GLU 38 HA GLU 38 12.771 10.281 2.725 274 HB2 GLU 38 1HB GLU 38 12.106 7.872 1.060 275 HB3 GLU 38 2HB GLU 38 13.520 7.877 2.104 276 HG2 GLU 38 1HG GLU 38 12.047 8.405 4.021 277 HG3 GLU 38 2HG GLU 38 10.657 8.249 2.948 278 H LYS 39 H LYS 39 15.032 10.196 2.602 279 HA LYS 39 HA LYS 39 16.139 11.359 0.243 280 HB2 LYS 39 1HB LYS 39 18.277 11.266 1.468 281 HB3 LYS 39 2HB LYS 39 16.989 11.970 2.437 282 HG2 LYS 39 1HG LYS 39 17.895 10.588 3.988 283 HG3 LYS 39 2HG LYS 39 16.741 9.466 3.262 284 HD2 LYS 39 1HD LYS 39 18.652 8.190 3.246 285 HD3 LYS 39 2HD LYS 39 18.745 8.940 1.651 286 HE2 LYS 39 1HE LYS 39 20.121 10.767 2.810 287 HE3 LYS 39 2HE LYS 39 20.269 9.626 4.145 288 HZ1 LYS 39 3HZ LYS 39 21.628 9.660 1.633 289 HZ2 LYS 39 1HZ LYS 39 20.901 8.162 1.931 290 HZ3 LYS 39 2HZ LYS 39 21.999 8.806 3.045 291 HA PRO 40 HA PRO 40 17.198 7.670 -1.936 292 HB2 PRO 40 1HB PRO 40 19.020 8.743 -3.639 293 HB3 PRO 40 2HB PRO 40 17.279 8.992 -3.814 294 HG2 PRO 40 1HG PRO 40 19.339 10.800 -2.611 295 HG3 PRO 40 2HG PRO 40 17.994 11.202 -3.694 296 HD2 PRO 40 1HD PRO 40 17.881 11.606 -1.019 297 HD3 PRO 40 2HD PRO 40 16.449 11.192 -1.984 298 H SER 41 H SER 41 18.300 6.265 -0.659 299 HA SER 41 HA SER 41 20.939 6.876 0.337 300 HB2 SER 41 1HB SER 41 19.104 4.500 0.576 301 HB3 SER 41 2HB SER 41 20.773 4.428 1.141 302 HG SER 41 HG SER 41 19.244 6.610 1.949 303 H GLY 42 H GLY 42 22.688 5.160 0.072 304 HA2 GLY 42 1HA GLY 42 23.741 5.106 -2.410 305 HA3 GLY 42 2HA GLY 42 24.017 3.808 -1.258 306 HA PRO 43 HA PRO 43 21.542 2.449 -5.110 307 HB2 PRO 43 1HB PRO 43 23.548 1.267 -6.507 308 HB3 PRO 43 2HB PRO 43 23.098 2.963 -6.721 309 HG2 PRO 43 1HG PRO 43 25.337 1.786 -5.121 310 HG3 PRO 43 2HG PRO 43 25.347 3.206 -6.183 311 HD2 PRO 43 1HD PRO 43 25.183 3.403 -3.487 312 HD3 PRO 43 2HD PRO 43 24.406 4.568 -4.579 313 H SER 44 H SER 44 20.501 0.637 -4.604 314 HA SER 44 HA SER 44 22.057 -1.712 -3.771 315 HB2 SER 44 1HB SER 44 20.407 -2.251 -2.053 316 HB3 SER 44 2HB SER 44 21.079 -0.647 -1.758 317 HG SER 44 HG SER 44 18.816 -0.636 -1.551 318 H SER 45 H SER 45 21.118 -3.732 -4.268 319 HA SER 45 HA SER 45 19.080 -3.579 -6.385 320 HB2 SER 45 1HB SER 45 21.325 -4.487 -7.019 321 HB3 SER 45 2HB SER 45 21.066 -5.807 -5.879 322 HG SER 45 HG SER 45 19.989 -6.756 -7.397 323 H GLY 46 H GLY 46 17.126 -4.353 -5.958 324 HA2 GLY 46 1HA GLY 46 16.726 -5.933 -3.534 325 HA3 GLY 46 2HA GLY 46 15.471 -5.159 -4.490 Start of MODEL 9 1 H1 GLY 1 H GLY 1 9.503 -21.062 -0.964 2 HA2 GLY 1 1HA GLY 1 8.502 -23.222 -1.124 3 HA3 GLY 1 2HA GLY 1 8.197 -22.705 0.528 4 H SER 2 H SER 2 6.683 -24.479 -1.342 5 HA SER 2 HA SER 2 4.165 -22.983 -1.548 6 HB2 SER 2 1HB SER 2 5.058 -24.200 -3.568 7 HB3 SER 2 2HB SER 2 4.787 -25.711 -2.699 8 HG SER 2 HG SER 2 2.947 -23.920 -3.789 9 H SER 3 H SER 3 3.753 -23.079 0.726 10 HA SER 3 HA SER 3 2.909 -25.745 1.658 11 HB2 SER 3 1HB SER 3 3.317 -24.977 3.944 12 HB3 SER 3 2HB SER 3 4.777 -24.795 2.972 13 HG SER 3 HG SER 3 3.673 -22.542 2.650 14 H GLY 4 H GLY 4 1.211 -24.235 0.062 15 HA2 GLY 4 1HA GLY 4 -1.227 -24.335 0.784 16 HA3 GLY 4 2HA GLY 4 -0.744 -23.147 1.986 17 H SER 5 H SER 5 1.065 -21.743 0.191 18 HA SER 5 HA SER 5 -0.916 -20.079 -1.102 19 HB2 SER 5 1HB SER 5 2.078 -19.815 -0.770 20 HB3 SER 5 2HB SER 5 1.091 -18.637 -1.635 21 HG SER 5 HG SER 5 0.581 -19.423 1.039 22 H SER 6 H SER 6 -0.998 -22.450 -2.359 23 HA SER 6 HA SER 6 0.622 -22.188 -4.790 24 HB2 SER 6 1HB SER 6 0.663 -24.388 -3.712 25 HB3 SER 6 2HB SER 6 -1.094 -24.488 -3.820 26 HG SER 6 HG SER 6 0.748 -25.115 -5.670 27 H GLY 7 H GLY 7 -0.272 -21.040 -6.368 28 HA2 GLY 7 1HA GLY 7 -2.831 -21.715 -7.433 29 HA3 GLY 7 2HA GLY 7 -2.891 -20.191 -6.559 30 H ALA 8 H ALA 8 -3.507 -19.367 -8.711 31 HA ALA 8 HA ALA 8 -1.192 -19.008 -10.491 32 HB1 ALA 8 3HB ALA 8 -3.434 -18.030 -11.809 33 HB2 ALA 8 1HB ALA 8 -2.637 -19.580 -12.081 34 HB3 ALA 8 2HB ALA 8 -4.004 -19.473 -10.971 35 H GLY 9 H GLY 9 -1.454 -17.509 -8.064 36 HA2 GLY 9 1HA GLY 9 -0.722 -15.267 -7.749 37 HA3 GLY 9 2HA GLY 9 -1.542 -14.820 -9.237 38 H LYS 10 H LYS 10 -1.661 -14.604 -5.943 39 HA LYS 10 HA LYS 10 -4.590 -14.354 -5.880 40 HB2 LYS 10 1HB LYS 10 -4.351 -14.413 -3.420 41 HB3 LYS 10 2HB LYS 10 -3.708 -15.856 -4.193 42 HG2 LYS 10 1HG LYS 10 -1.506 -15.259 -3.760 43 HG3 LYS 10 2HG LYS 10 -1.915 -13.562 -3.500 44 HD2 LYS 10 1HD LYS 10 -1.497 -14.414 -1.353 45 HD3 LYS 10 2HD LYS 10 -3.257 -14.373 -1.484 46 HE2 LYS 10 1HE LYS 10 -2.992 -16.478 -0.651 47 HE3 LYS 10 2HE LYS 10 -2.886 -16.836 -2.374 48 HZ1 LYS 10 3HZ LYS 10 -0.914 -17.152 -0.342 49 HZ2 LYS 10 1HZ LYS 10 -0.326 -16.214 -1.621 50 HZ3 LYS 10 2HZ LYS 10 -0.936 -17.762 -1.920 51 H LYS 11 H LYS 11 -1.591 -12.626 -5.425 52 HA LYS 11 HA LYS 11 -2.792 -10.274 -4.313 53 HB2 LYS 11 1HB LYS 11 -0.269 -11.194 -4.327 54 HB3 LYS 11 2HB LYS 11 -0.170 -10.091 -5.693 55 HG2 LYS 11 1HG LYS 11 -0.414 -8.240 -4.397 56 HG3 LYS 11 2HG LYS 11 -1.404 -9.073 -3.197 57 HD2 LYS 11 1HD LYS 11 0.642 -8.636 -2.118 58 HD3 LYS 11 2HD LYS 11 0.711 -10.342 -2.565 59 HE2 LYS 11 1HE LYS 11 2.208 -9.943 -4.313 60 HE3 LYS 11 2HE LYS 11 1.835 -8.221 -4.361 61 HZ1 LYS 11 3HZ LYS 11 3.943 -9.392 -3.069 62 HZ2 LYS 11 1HZ LYS 11 2.864 -9.009 -1.823 63 HZ3 LYS 11 2HZ LYS 11 3.407 -7.799 -2.872 64 H LEU 12 H LEU 12 -2.566 -8.125 -5.407 65 HA LEU 12 HA LEU 12 -3.033 -8.332 -8.306 66 HB2 LEU 12 1HB LEU 12 -4.533 -6.170 -7.561 67 HB3 LEU 12 2HB LEU 12 -5.153 -7.784 -7.902 68 HG LEU 12 HG LEU 12 -6.101 -6.884 -5.847 69 HD11 LEU 12 1HD1 LEU 12 -5.119 -9.382 -6.216 70 HD12 LEU 12 2HD1 LEU 12 -6.084 -8.882 -4.828 71 HD13 LEU 12 3HD1 LEU 12 -4.325 -8.924 -4.709 72 HD21 LEU 12 3HD2 LEU 12 -4.292 -6.883 -3.895 73 HD22 LEU 12 1HD2 LEU 12 -4.676 -5.438 -4.830 74 HD23 LEU 12 2HD2 LEU 12 -3.246 -6.390 -5.227 75 H PHE 13 H PHE 13 -1.508 -6.757 -5.685 76 HA PHE 13 HA PHE 13 -0.260 -4.870 -7.557 77 HB2 PHE 13 1HB PHE 13 -1.414 -4.234 -4.843 78 HB3 PHE 13 2HB PHE 13 -0.226 -3.199 -5.631 79 HD1 PHE 13 HD1 PHE 13 -3.422 -4.919 -6.514 80 HD2 PHE 13 HD2 PHE 13 -1.056 -1.389 -6.754 81 HE1 PHE 13 HE1 PHE 13 -5.229 -3.797 -7.750 82 HE2 PHE 13 HE2 PHE 13 -2.860 -0.261 -7.990 83 HZ PHE 13 HZ PHE 13 -4.950 -1.464 -8.489 84 H LYS 14 H LYS 14 1.898 -4.436 -7.197 85 HA LYS 14 HA LYS 14 3.188 -5.741 -4.910 86 HB2 LYS 14 1HB LYS 14 3.719 -7.400 -6.391 87 HB3 LYS 14 2HB LYS 14 3.595 -6.340 -7.789 88 HG2 LYS 14 1HG LYS 14 5.767 -5.705 -7.677 89 HG3 LYS 14 2HG LYS 14 5.833 -5.842 -5.919 90 HD2 LYS 14 1HD LYS 14 5.506 -8.419 -6.507 91 HD3 LYS 14 2HD LYS 14 6.276 -7.901 -8.009 92 HE2 LYS 14 1HE LYS 14 8.175 -7.053 -6.804 93 HE3 LYS 14 2HE LYS 14 7.385 -7.359 -5.258 94 HZ1 LYS 14 3HZ LYS 14 8.848 -9.157 -6.945 95 HZ2 LYS 14 1HZ LYS 14 7.344 -9.780 -6.483 96 HZ3 LYS 14 2HZ LYS 14 8.456 -9.294 -5.305 97 H CYS 15 H CYS 15 4.279 -4.223 -3.865 98 HA CYS 15 HA CYS 15 5.083 -1.781 -5.166 99 HB2 CYS 15 1HB CYS 15 4.196 -1.920 -2.807 100 HB3 CYS 15 2HB CYS 15 5.723 -2.671 -2.351 101 H ASN 16 H ASN 16 6.796 -1.894 -6.483 102 HA ASN 16 HA ASN 16 9.018 -3.651 -5.939 103 HB2 ASN 16 1HB ASN 16 8.848 -1.521 -8.075 104 HB3 ASN 16 2HB ASN 16 9.890 -2.941 -8.055 105 HD21 ASN 16 1HD2 ASN 16 8.721 -5.056 -7.988 106 HD22 ASN 16 2HD2 ASN 16 7.299 -5.201 -8.958 107 H GLU 17 H GLU 17 8.656 -1.812 -3.870 108 HA GLU 17 HA GLU 17 11.144 -0.260 -4.094 109 HB2 GLU 17 1HB GLU 17 8.760 0.744 -2.554 110 HB3 GLU 17 2HB GLU 17 10.203 1.629 -3.029 111 HG2 GLU 17 1HG GLU 17 9.323 1.015 -5.452 112 HG3 GLU 17 2HG GLU 17 7.783 0.957 -4.597 113 H CYS 18 H CYS 18 8.758 -1.742 -1.939 114 HA CYS 18 HA CYS 18 10.939 -2.314 -0.050 115 HB2 CYS 18 1HB CYS 18 9.456 -1.885 1.834 116 HB3 CYS 18 2HB CYS 18 9.573 -0.449 0.822 117 H LYS 19 H LYS 19 8.684 -3.546 -2.076 118 HA LYS 19 HA LYS 19 7.821 -5.624 -2.412 119 HB2 LYS 19 1HB LYS 19 9.704 -6.375 -0.168 120 HB3 LYS 19 2HB LYS 19 8.850 -7.523 -1.191 121 HG2 LYS 19 1HG LYS 19 10.957 -7.428 -2.142 122 HG3 LYS 19 2HG LYS 19 10.018 -6.321 -3.146 123 HD2 LYS 19 1HD LYS 19 10.898 -4.421 -1.922 124 HD3 LYS 19 2HD LYS 19 11.770 -5.498 -0.829 125 HE2 LYS 19 1HE LYS 19 12.226 -5.510 -3.800 126 HE3 LYS 19 2HE LYS 19 13.100 -4.424 -2.722 127 HZ1 LYS 19 3HZ LYS 19 14.224 -6.150 -1.747 128 HZ2 LYS 19 1HZ LYS 19 14.088 -6.729 -3.330 129 HZ3 LYS 19 2HZ LYS 19 13.045 -7.301 -2.128 130 H LYS 20 H LYS 20 6.103 -4.098 -1.161 131 HA LYS 20 HA LYS 20 4.862 -5.894 0.795 132 HB2 LYS 20 1HB LYS 20 6.051 -3.970 1.942 133 HB3 LYS 20 2HB LYS 20 4.895 -2.898 1.160 134 HG2 LYS 20 1HG LYS 20 3.109 -3.712 2.403 135 HG3 LYS 20 2HG LYS 20 3.963 -5.194 2.839 136 HD2 LYS 20 1HD LYS 20 4.162 -4.045 4.805 137 HD3 LYS 20 2HD LYS 20 5.618 -3.476 3.984 138 HE2 LYS 20 1HE LYS 20 3.014 -2.007 3.741 139 HE3 LYS 20 2HE LYS 20 4.085 -1.744 5.116 140 HZ1 LYS 20 3HZ LYS 20 4.241 -0.545 2.641 141 HZ2 LYS 20 1HZ LYS 20 5.532 -1.637 2.680 142 HZ3 LYS 20 2HZ LYS 20 5.384 -0.460 3.885 143 H THR 21 H THR 21 2.522 -5.162 1.211 144 HA THR 21 HA THR 21 1.270 -3.773 -1.002 145 HB THR 21 HB THR 21 -0.290 -5.677 -1.477 146 HG1 THR 21 HG1 THR 21 -0.013 -7.545 -0.493 147 HG21 THR 21 3HG2 THR 21 1.327 -6.937 -2.882 148 HG22 THR 21 1HG2 THR 21 2.642 -6.094 -2.065 149 HG23 THR 21 2HG2 THR 21 1.485 -5.188 -3.040 150 H PHE 22 H PHE 22 -1.212 -3.871 -0.710 151 HA PHE 22 HA PHE 22 -1.964 -4.057 2.113 152 HB2 PHE 22 1HB PHE 22 -2.587 -1.629 0.423 153 HB3 PHE 22 2HB PHE 22 -2.986 -1.866 2.121 154 HD1 PHE 22 HD1 PHE 22 -0.028 -1.795 -0.147 155 HD2 PHE 22 HD2 PHE 22 -1.606 -0.950 3.715 156 HE1 PHE 22 HE1 PHE 22 2.106 -0.752 0.493 157 HE2 PHE 22 HE2 PHE 22 0.525 0.095 4.361 158 HZ PHE 22 HZ PHE 22 2.385 0.196 2.749 159 H THR 23 H THR 23 -3.981 -4.814 2.439 160 HA THR 23 HA THR 23 -5.389 -6.276 0.686 161 HB THR 23 HB THR 23 -5.990 -6.141 3.056 162 HG1 THR 23 HG1 THR 23 -8.385 -5.401 1.832 163 HG21 THR 23 3HG2 THR 23 -5.874 -3.534 2.965 164 HG22 THR 23 1HG2 THR 23 -7.004 -4.322 4.065 165 HG23 THR 23 2HG2 THR 23 -7.579 -3.661 2.534 166 H GLN 24 H GLN 24 -5.336 -2.802 0.815 167 HA GLN 24 HA GLN 24 -7.237 -2.722 -1.436 168 HB2 GLN 24 1HB GLN 24 -6.798 -0.728 0.785 169 HB3 GLN 24 2HB GLN 24 -7.686 -0.344 -0.683 170 HG2 GLN 24 1HG GLN 24 -9.425 -1.797 -0.160 171 HG3 GLN 24 2HG GLN 24 -8.454 -2.684 1.014 172 HE21 GLN 24 1HE2 GLN 24 -8.201 -1.872 3.075 173 HE22 GLN 24 2HE2 GLN 24 -9.162 -0.575 3.691 174 H SER 25 H SER 25 -6.722 -1.483 -3.209 175 HA SER 25 HA SER 25 -3.952 -1.052 -3.698 176 HB2 SER 25 1HB SER 25 -4.635 -0.306 -5.897 177 HB3 SER 25 2HB SER 25 -5.611 -1.706 -5.452 178 HG SER 25 HG SER 25 -7.053 0.168 -4.595 179 H SER 26 H SER 26 -6.469 0.891 -2.414 180 HA SER 26 HA SER 26 -5.470 3.448 -3.125 181 HB2 SER 26 1HB SER 26 -7.382 2.454 -1.030 182 HB3 SER 26 2HB SER 26 -6.871 4.142 -1.046 183 HG SER 26 HG SER 26 -7.765 3.000 -3.437 184 H SER 27 H SER 27 -4.977 1.340 -0.334 185 HA SER 27 HA SER 27 -3.492 3.158 1.224 186 HB2 SER 27 1HB SER 27 -4.546 0.931 1.944 187 HB3 SER 27 2HB SER 27 -3.100 0.169 1.282 188 HG SER 27 HG SER 27 -3.240 2.076 3.376 189 H LEU 28 H LEU 28 -2.552 0.826 -1.247 190 HA LEU 28 HA LEU 28 0.227 0.965 -0.891 191 HB2 LEU 28 1HB LEU 28 -0.590 -0.792 -2.211 192 HB3 LEU 28 2HB LEU 28 -1.517 0.299 -3.239 193 HG LEU 28 HG LEU 28 0.546 1.105 -4.262 194 HD11 LEU 28 1HD1 LEU 28 2.193 0.976 -2.630 195 HD12 LEU 28 2HD1 LEU 28 2.631 -0.316 -3.747 196 HD13 LEU 28 3HD1 LEU 28 1.810 -0.699 -2.234 197 HD21 LEU 28 3HD2 LEU 28 -0.681 -1.282 -4.717 198 HD22 LEU 28 1HD2 LEU 28 0.996 -1.781 -4.498 199 HD23 LEU 28 2HD2 LEU 28 0.585 -0.588 -5.731 200 H THR 29 H THR 29 -1.888 2.750 -3.131 201 HA THR 29 HA THR 29 0.020 4.295 -4.402 202 HB THR 29 HB THR 29 -2.788 5.118 -3.638 203 HG1 THR 29 HG1 THR 29 -1.722 3.896 -5.984 204 HG21 THR 29 3HG2 THR 29 -0.679 6.591 -4.888 205 HG22 THR 29 1HG2 THR 29 -2.332 7.101 -4.545 206 HG23 THR 29 2HG2 THR 29 -1.956 6.294 -6.068 207 H VAL 30 H VAL 30 -1.950 5.316 -1.603 208 HA VAL 30 HA VAL 30 -0.593 7.705 -1.108 209 HB VAL 30 HB VAL 30 -2.806 6.935 -0.110 210 HG11 VAL 30 1HG1 VAL 30 -2.199 4.819 0.799 211 HG12 VAL 30 2HG1 VAL 30 -0.898 5.534 1.753 212 HG13 VAL 30 3HG1 VAL 30 -2.581 5.880 2.154 213 HG21 VAL 30 3HG2 VAL 30 -0.647 8.415 1.303 214 HG22 VAL 30 1HG2 VAL 30 -2.190 8.993 0.673 215 HG23 VAL 30 2HG2 VAL 30 -2.140 8.075 2.178 216 H HIS 31 H HIS 31 0.415 4.494 -0.626 217 HA HIS 31 HA HIS 31 2.338 5.171 1.455 218 HB2 HIS 31 1HB HIS 31 1.590 3.056 1.926 219 HB3 HIS 31 2HB HIS 31 1.328 2.655 0.231 220 HD1 HIS 31 HD1 HIS 31 4.325 3.276 2.503 221 HD2 HIS 31 HD2 HIS 31 3.149 0.892 -0.690 222 HE1 HIS 31 HE1 HIS 31 6.259 1.728 2.072 223 H GLN 32 H GLN 32 2.196 4.574 -1.977 224 HA GLN 32 HA GLN 32 4.897 4.078 -2.497 225 HB2 GLN 32 1HB GLN 32 2.737 4.088 -4.040 226 HB3 GLN 32 2HB GLN 32 3.314 5.703 -4.430 227 HG2 GLN 32 1HG GLN 32 4.411 4.575 -6.042 228 HG3 GLN 32 2HG GLN 32 5.595 4.372 -4.753 229 HE21 GLN 32 1HE2 GLN 32 4.245 2.463 -3.226 230 HE22 GLN 32 2HE2 GLN 32 4.200 0.982 -4.114 231 H ARG 33 H ARG 33 3.245 6.999 -1.667 232 HA ARG 33 HA ARG 33 5.042 8.889 -2.715 233 HB2 ARG 33 1HB ARG 33 4.013 10.472 -1.248 234 HB3 ARG 33 2HB ARG 33 2.757 9.370 -1.797 235 HG2 ARG 33 1HG ARG 33 3.121 8.100 0.364 236 HG3 ARG 33 2HG ARG 33 4.084 9.482 0.892 237 HD2 ARG 33 1HD ARG 33 1.261 9.745 -0.112 238 HD3 ARG 33 2HD ARG 33 1.647 9.471 1.586 239 HE ARG 33 HE ARG 33 2.043 11.910 0.075 240 HH11 ARG 33 1HH1 ARG 33 2.783 10.104 2.958 241 HH12 ARG 33 2HH1 ARG 33 3.242 11.502 3.872 242 HH21 ARG 33 1HH2 ARG 33 2.645 13.758 1.268 243 HH22 ARG 33 2HH2 ARG 33 3.162 13.580 2.911 244 H ILE 34 H ILE 34 5.189 6.845 0.088 245 HA ILE 34 HA ILE 34 7.092 8.248 1.603 246 HB ILE 34 HB ILE 34 6.333 5.351 1.447 247 HG12 ILE 34 1HG1 ILE 34 5.855 5.944 3.938 248 HG13 ILE 34 2HG1 ILE 34 5.989 7.613 3.395 249 HG21 ILE 34 1HG2 ILE 34 8.622 6.553 2.978 250 HG22 ILE 34 2HG2 ILE 34 7.839 5.053 3.472 251 HG23 ILE 34 3HG2 ILE 34 8.634 5.157 1.901 252 HD11 ILE 34 3HD1 ILE 34 3.691 7.010 3.393 253 HD12 ILE 34 1HD1 ILE 34 4.218 7.126 1.714 254 HD13 ILE 34 2HD1 ILE 34 4.017 5.544 2.469 255 H HIS 35 H HIS 35 7.459 5.853 -0.974 256 HA HIS 35 HA HIS 35 10.311 5.759 -0.789 257 HB2 HIS 35 1HB HIS 35 8.575 4.926 -3.119 258 HB3 HIS 35 2HB HIS 35 10.222 4.400 -2.784 259 HD1 HIS 35 HD1 HIS 35 10.189 3.391 -0.024 260 HD2 HIS 35 HD2 HIS 35 6.939 2.863 -2.557 261 HE1 HIS 35 HE1 HIS 35 8.916 1.437 0.915 262 H THR 36 H THR 36 8.037 7.830 -2.327 263 HA THR 36 HA THR 36 9.972 8.888 -4.222 264 HB THR 36 HB THR 36 8.219 10.214 -5.118 265 HG1 THR 36 HG1 THR 36 6.566 10.890 -3.951 266 HG21 THR 36 3HG2 THR 36 7.880 8.028 -5.872 267 HG22 THR 36 1HG2 THR 36 6.293 8.504 -5.269 268 HG23 THR 36 2HG2 THR 36 7.333 7.467 -4.292 269 H GLY 37 H GLY 37 8.677 9.620 -1.089 270 HA2 GLY 37 1HA GLY 37 9.726 12.347 -1.148 271 HA3 GLY 37 2HA GLY 37 8.773 11.629 0.141 272 H GLU 38 H GLU 38 10.231 9.324 0.643 273 HA GLU 38 HA GLU 38 11.978 9.928 2.563 274 HB2 GLU 38 1HB GLU 38 13.028 7.792 2.291 275 HB3 GLU 38 2HB GLU 38 11.335 7.620 1.850 276 HG2 GLU 38 1HG GLU 38 11.951 7.763 -0.520 277 HG3 GLU 38 2HG GLU 38 13.647 7.888 -0.058 278 H LYS 39 H LYS 39 13.877 10.914 2.805 279 HA LYS 39 HA LYS 39 15.679 11.138 0.501 280 HB2 LYS 39 1HB LYS 39 16.082 13.505 0.987 281 HB3 LYS 39 2HB LYS 39 14.393 13.218 0.586 282 HG2 LYS 39 1HG LYS 39 14.120 14.569 2.387 283 HG3 LYS 39 2HG LYS 39 14.180 13.011 3.214 284 HD2 LYS 39 1HD LYS 39 15.631 14.404 4.431 285 HD3 LYS 39 2HD LYS 39 16.690 13.409 3.429 286 HE2 LYS 39 1HE LYS 39 17.566 15.548 3.177 287 HE3 LYS 39 2HE LYS 39 16.559 15.351 1.744 288 HZ1 LYS 39 3HZ LYS 39 15.676 17.289 2.364 289 HZ2 LYS 39 1HZ LYS 39 16.286 17.191 3.939 290 HZ3 LYS 39 2HZ LYS 39 14.842 16.405 3.541 291 HA PRO 40 HA PRO 40 18.753 9.997 3.438 292 HB2 PRO 40 1HB PRO 40 20.953 10.902 2.130 293 HB3 PRO 40 2HB PRO 40 20.065 9.458 1.630 294 HG2 PRO 40 1HG PRO 40 19.927 12.240 0.534 295 HG3 PRO 40 2HG PRO 40 19.965 10.695 -0.336 296 HD2 PRO 40 1HD PRO 40 17.675 12.079 0.076 297 HD3 PRO 40 2HD PRO 40 17.719 10.305 0.002 298 H SER 41 H SER 41 18.297 11.332 5.202 299 HA SER 41 HA SER 41 19.942 13.765 5.345 300 HB2 SER 41 1HB SER 41 18.134 14.814 6.726 301 HB3 SER 41 2HB SER 41 17.673 14.538 5.047 302 HG SER 41 HG SER 41 16.606 13.513 7.329 303 H GLY 42 H GLY 42 21.459 12.304 6.391 304 HA2 GLY 42 1HA GLY 42 21.947 12.539 8.957 305 HA3 GLY 42 2HA GLY 42 20.661 11.345 9.041 306 HA PRO 43 HA PRO 43 24.293 9.165 6.715 307 HB2 PRO 43 1HB PRO 43 26.638 10.524 6.554 308 HB3 PRO 43 2HB PRO 43 25.376 10.636 5.321 309 HG2 PRO 43 1HG PRO 43 26.001 12.511 7.570 310 HG3 PRO 43 2HG PRO 43 25.595 12.882 5.884 311 HD2 PRO 43 1HD PRO 43 23.785 13.059 7.891 312 HD3 PRO 43 2HD PRO 43 23.334 12.603 6.235 313 H SER 44 H SER 44 26.467 8.245 7.434 314 HA SER 44 HA SER 44 26.396 7.471 10.065 315 HB2 SER 44 1HB SER 44 28.679 7.614 8.104 316 HB3 SER 44 2HB SER 44 28.906 6.979 9.734 317 HG SER 44 HG SER 44 27.468 5.355 9.296 318 H SER 45 H SER 45 28.554 9.959 8.695 319 HA SER 45 HA SER 45 29.099 10.927 11.404 320 HB2 SER 45 1HB SER 45 30.475 11.203 8.762 321 HB3 SER 45 2HB SER 45 30.735 12.442 9.989 322 HG SER 45 HG SER 45 32.242 10.637 10.029 323 H GLY 46 H GLY 46 28.993 13.204 11.882 324 HA2 GLY 46 1HA GLY 46 27.285 14.782 10.086 325 HA3 GLY 46 2HA GLY 46 26.768 14.538 11.748 Start of MODEL 10 1 H1 GLY 1 H GLY 1 14.131 -18.527 6.053 2 HA2 GLY 1 1HA GLY 1 14.623 -15.798 5.383 3 HA3 GLY 1 2HA GLY 1 15.291 -16.879 4.169 4 H SER 2 H SER 2 13.699 -15.630 2.838 5 HA SER 2 HA SER 2 11.296 -17.217 2.553 6 HB2 SER 2 1HB SER 2 10.503 -15.543 4.124 7 HB3 SER 2 2HB SER 2 11.149 -14.246 3.119 8 HG SER 2 HG SER 2 8.763 -15.085 2.998 9 H SER 3 H SER 3 11.596 -17.791 0.494 10 HA SER 3 HA SER 3 13.010 -16.693 -1.501 11 HB2 SER 3 1HB SER 3 11.470 -17.728 -3.112 12 HB3 SER 3 2HB SER 3 11.748 -18.794 -1.735 13 HG SER 3 HG SER 3 9.750 -18.059 -0.878 14 H GLY 4 H GLY 4 12.725 -15.197 -3.175 15 HA2 GLY 4 1HA GLY 4 10.398 -13.424 -3.025 16 HA3 GLY 4 2HA GLY 4 11.986 -12.709 -2.790 17 H SER 5 H SER 5 9.655 -13.682 -5.048 18 HA SER 5 HA SER 5 11.218 -12.624 -7.221 19 HB2 SER 5 1HB SER 5 10.416 -15.543 -7.228 20 HB3 SER 5 2HB SER 5 10.998 -14.662 -8.641 21 HG SER 5 HG SER 5 12.423 -15.841 -6.731 22 H SER 6 H SER 6 9.926 -11.650 -8.659 23 HA SER 6 HA SER 6 7.216 -11.280 -8.216 24 HB2 SER 6 1HB SER 6 9.000 -10.827 -10.582 25 HB3 SER 6 2HB SER 6 7.259 -10.601 -10.755 26 HG SER 6 HG SER 6 9.064 -9.225 -9.078 27 H GLY 7 H GLY 7 5.500 -12.536 -8.495 28 HA2 GLY 7 1HA GLY 7 5.465 -14.456 -10.707 29 HA3 GLY 7 2HA GLY 7 5.248 -15.083 -9.079 30 H ALA 8 H ALA 8 3.173 -15.852 -9.750 31 HA ALA 8 HA ALA 8 1.131 -13.740 -9.648 32 HB1 ALA 8 3HB ALA 8 1.345 -14.439 -11.975 33 HB2 ALA 8 1HB ALA 8 1.070 -16.117 -11.504 34 HB3 ALA 8 2HB ALA 8 -0.214 -14.923 -11.309 35 H GLY 9 H GLY 9 -1.093 -14.737 -9.198 36 HA2 GLY 9 1HA GLY 9 -1.700 -17.153 -8.182 37 HA3 GLY 9 2HA GLY 9 -0.803 -16.424 -6.859 38 H LYS 10 H LYS 10 -1.679 -14.644 -5.756 39 HA LYS 10 HA LYS 10 -4.499 -14.054 -6.360 40 HB2 LYS 10 1HB LYS 10 -5.077 -14.151 -4.036 41 HB3 LYS 10 2HB LYS 10 -4.260 -15.653 -4.448 42 HG2 LYS 10 1HG LYS 10 -2.395 -15.138 -3.214 43 HG3 LYS 10 2HG LYS 10 -2.670 -13.398 -3.324 44 HD2 LYS 10 1HD LYS 10 -4.634 -15.106 -1.860 45 HD3 LYS 10 2HD LYS 10 -3.112 -14.672 -1.079 46 HE2 LYS 10 1HE LYS 10 -4.716 -12.528 -2.383 47 HE3 LYS 10 2HE LYS 10 -5.263 -13.166 -0.833 48 HZ1 LYS 10 3HZ LYS 10 -3.869 -11.307 -0.413 49 HZ2 LYS 10 1HZ LYS 10 -2.648 -11.896 -1.426 50 HZ3 LYS 10 2HZ LYS 10 -2.996 -12.687 0.028 51 H LYS 11 H LYS 11 -1.424 -12.986 -5.100 52 HA LYS 11 HA LYS 11 -1.870 -10.579 -3.971 53 HB2 LYS 11 1HB LYS 11 0.366 -11.601 -4.499 54 HB3 LYS 11 2HB LYS 11 0.197 -10.982 -6.137 55 HG2 LYS 11 1HG LYS 11 1.566 -9.460 -4.953 56 HG3 LYS 11 2HG LYS 11 -0.009 -8.688 -5.150 57 HD2 LYS 11 1HD LYS 11 0.624 -8.273 -2.917 58 HD3 LYS 11 2HD LYS 11 -0.568 -9.572 -2.836 59 HE2 LYS 11 1HE LYS 11 1.549 -11.108 -2.965 60 HE3 LYS 11 2HE LYS 11 2.383 -9.665 -2.391 61 HZ1 LYS 11 3HZ LYS 11 -0.029 -10.648 -1.009 62 HZ2 LYS 11 1HZ LYS 11 1.223 -9.682 -0.407 63 HZ3 LYS 11 2HZ LYS 11 1.484 -11.330 -0.681 64 H LEU 12 H LEU 12 -2.310 -8.480 -4.591 65 HA LEU 12 HA LEU 12 -3.341 -8.159 -7.332 66 HB2 LEU 12 1HB LEU 12 -4.576 -6.179 -6.000 67 HB3 LEU 12 2HB LEU 12 -5.259 -7.788 -6.226 68 HG LEU 12 HG LEU 12 -5.542 -6.971 -3.932 69 HD11 LEU 12 1HD1 LEU 12 -3.688 -9.044 -3.255 70 HD12 LEU 12 2HD1 LEU 12 -4.529 -9.459 -4.748 71 HD13 LEU 12 3HD1 LEU 12 -5.451 -9.089 -3.291 72 HD21 LEU 12 3HD2 LEU 12 -3.905 -6.073 -2.700 73 HD22 LEU 12 1HD2 LEU 12 -3.031 -5.918 -4.224 74 HD23 LEU 12 2HD2 LEU 12 -2.740 -7.309 -3.179 75 H PHE 13 H PHE 13 -1.312 -6.875 -4.831 76 HA PHE 13 HA PHE 13 -0.353 -4.835 -6.714 77 HB2 PHE 13 1HB PHE 13 -0.574 -4.285 -3.759 78 HB3 PHE 13 2HB PHE 13 -0.285 -3.139 -5.064 79 HD1 PHE 13 HD2 PHE 13 -2.341 -3.685 -6.986 80 HD2 PHE 13 HD1 PHE 13 -2.557 -3.749 -2.736 81 HE1 PHE 13 HE2 PHE 13 -4.752 -3.212 -7.105 82 HE2 PHE 13 HE1 PHE 13 -4.969 -3.278 -2.848 83 HZ PHE 13 HZ PHE 13 -6.070 -3.007 -5.034 84 H LYS 14 H LYS 14 1.828 -4.557 -6.778 85 HA LYS 14 HA LYS 14 3.461 -5.964 -4.784 86 HB2 LYS 14 1HB LYS 14 3.053 -7.147 -7.125 87 HB3 LYS 14 2HB LYS 14 4.324 -6.045 -7.639 88 HG2 LYS 14 1HG LYS 14 4.623 -7.877 -5.278 89 HG3 LYS 14 2HG LYS 14 5.056 -8.350 -6.923 90 HD2 LYS 14 1HD LYS 14 6.689 -6.601 -7.062 91 HD3 LYS 14 2HD LYS 14 6.159 -5.917 -5.523 92 HE2 LYS 14 1HE LYS 14 7.390 -8.647 -5.891 93 HE3 LYS 14 2HE LYS 14 8.243 -7.216 -5.315 94 HZ1 LYS 14 3HZ LYS 14 6.258 -8.874 -3.946 95 HZ2 LYS 14 1HZ LYS 14 6.288 -7.221 -3.585 96 HZ3 LYS 14 2HZ LYS 14 7.671 -8.164 -3.345 97 H CYS 15 H CYS 15 4.373 -4.239 -3.814 98 HA CYS 15 HA CYS 15 5.230 -1.924 -5.286 99 HB2 CYS 15 1HB CYS 15 4.363 -1.852 -2.932 100 HB3 CYS 15 2HB CYS 15 5.846 -2.648 -2.416 101 H ASN 16 H ASN 16 7.021 -1.896 -6.460 102 HA ASN 16 HA ASN 16 9.157 -3.782 -5.979 103 HB2 ASN 16 1HB ASN 16 8.668 -1.668 -8.071 104 HB3 ASN 16 2HB ASN 16 10.200 -2.532 -7.968 105 HD21 ASN 16 1HD2 ASN 16 10.206 -3.864 -9.642 106 HD22 ASN 16 2HD2 ASN 16 8.954 -4.988 -10.037 107 H GLU 17 H GLU 17 8.500 -1.485 -4.102 108 HA GLU 17 HA GLU 17 11.136 -0.175 -4.107 109 HB2 GLU 17 1HB GLU 17 8.709 0.742 -2.571 110 HB3 GLU 17 2HB GLU 17 10.177 1.647 -2.916 111 HG2 GLU 17 1HG GLU 17 9.415 1.219 -5.413 112 HG3 GLU 17 2HG GLU 17 7.834 1.096 -4.643 113 H CYS 18 H CYS 18 8.745 -1.780 -2.052 114 HA CYS 18 HA CYS 18 10.912 -2.431 -0.175 115 HB2 CYS 18 1HB CYS 18 9.344 -2.145 1.709 116 HB3 CYS 18 2HB CYS 18 9.604 -0.639 0.835 117 H LYS 19 H LYS 19 8.917 -3.656 -2.348 118 HA LYS 19 HA LYS 19 7.998 -5.694 -2.770 119 HB2 LYS 19 1HB LYS 19 9.928 -6.431 -0.571 120 HB3 LYS 19 2HB LYS 19 8.993 -7.625 -1.462 121 HG2 LYS 19 1HG LYS 19 10.990 -7.636 -2.597 122 HG3 LYS 19 2HG LYS 19 10.036 -6.502 -3.556 123 HD2 LYS 19 1HD LYS 19 12.117 -5.451 -3.286 124 HD3 LYS 19 2HD LYS 19 11.068 -4.674 -2.098 125 HE2 LYS 19 1HE LYS 19 11.975 -6.102 -0.346 126 HE3 LYS 19 2HE LYS 19 12.990 -6.928 -1.526 127 HZ1 LYS 19 3HZ LYS 19 13.337 -4.331 -0.283 128 HZ2 LYS 19 1HZ LYS 19 13.703 -4.396 -1.933 129 HZ3 LYS 19 2HZ LYS 19 14.496 -5.425 -0.851 130 H LYS 20 H LYS 20 6.347 -4.115 -1.322 131 HA LYS 20 HA LYS 20 5.056 -6.038 0.494 132 HB2 LYS 20 1HB LYS 20 6.166 -4.097 1.687 133 HB3 LYS 20 2HB LYS 20 5.003 -3.046 0.889 134 HG2 LYS 20 1HG LYS 20 3.186 -4.020 2.036 135 HG3 LYS 20 2HG LYS 20 4.174 -5.368 2.605 136 HD2 LYS 20 1HD LYS 20 4.171 -4.089 4.494 137 HD3 LYS 20 2HD LYS 20 5.579 -3.396 3.685 138 HE2 LYS 20 1HE LYS 20 2.790 -2.293 3.410 139 HE3 LYS 20 2HE LYS 20 3.940 -1.733 4.624 140 HZ1 LYS 20 3HZ LYS 20 3.796 -1.109 1.837 141 HZ2 LYS 20 1HZ LYS 20 5.338 -1.641 2.285 142 HZ3 LYS 20 2HZ LYS 20 4.637 -0.321 3.075 143 H THR 21 H THR 21 2.693 -5.466 0.837 144 HA THR 21 HA THR 21 1.467 -4.125 -1.447 145 HB THR 21 HB THR 21 1.704 -6.531 -2.076 146 HG1 THR 21 HG1 THR 21 -0.775 -6.712 -2.331 147 HG21 THR 21 3HG2 THR 21 1.468 -7.541 0.124 148 HG22 THR 21 1HG2 THR 21 0.227 -8.164 -0.962 149 HG23 THR 21 2HG2 THR 21 -0.187 -6.945 0.243 150 H PHE 22 H PHE 22 -1.025 -4.200 -1.165 151 HA PHE 22 HA PHE 22 -1.777 -4.117 1.665 152 HB2 PHE 22 1HB PHE 22 -2.268 -1.875 -0.305 153 HB3 PHE 22 2HB PHE 22 -2.940 -1.957 1.320 154 HD1 PHE 22 HD1 PHE 22 0.394 -2.229 -0.339 155 HD2 PHE 22 HD2 PHE 22 -1.878 -0.729 2.932 156 HE1 PHE 22 HE1 PHE 22 2.403 -1.113 0.541 157 HE2 PHE 22 HE2 PHE 22 0.126 0.389 3.817 158 HZ PHE 22 HZ PHE 22 2.271 0.199 2.621 159 H THR 23 H THR 23 -4.152 -3.982 1.965 160 HA THR 23 HA THR 23 -5.464 -5.743 0.065 161 HB THR 23 HB THR 23 -5.663 -6.167 2.497 162 HG1 THR 23 HG1 THR 23 -8.160 -6.073 2.361 163 HG21 THR 23 3HG2 THR 23 -6.883 -4.749 3.944 164 HG22 THR 23 1HG2 THR 23 -7.465 -3.757 2.607 165 HG23 THR 23 2HG2 THR 23 -5.767 -3.693 3.078 166 H GLN 24 H GLN 24 -4.974 -2.590 -0.007 167 HA GLN 24 HA GLN 24 -7.459 -2.080 -1.434 168 HB2 GLN 24 1HB GLN 24 -6.629 -0.705 1.071 169 HB3 GLN 24 2HB GLN 24 -7.344 0.280 -0.198 170 HG2 GLN 24 1HG GLN 24 -9.369 -0.919 -0.130 171 HG3 GLN 24 2HG GLN 24 -8.657 -2.211 0.835 172 HE21 GLN 24 1HE2 GLN 24 -7.568 -1.211 2.919 173 HE22 GLN 24 2HE2 GLN 24 -8.622 -0.193 3.834 174 H SER 25 H SER 25 -6.987 -1.190 -3.324 175 HA SER 25 HA SER 25 -4.491 -0.578 -4.255 176 HB2 SER 25 1HB SER 25 -7.220 0.364 -5.084 177 HB3 SER 25 2HB SER 25 -5.784 0.976 -5.904 178 HG SER 25 HG SER 25 -5.436 -0.943 -6.767 179 H SER 26 H SER 26 -6.826 1.669 -2.812 180 HA SER 26 HA SER 26 -5.338 4.017 -3.142 181 HB2 SER 26 1HB SER 26 -7.782 3.757 -2.399 182 HB3 SER 26 2HB SER 26 -7.138 3.506 -0.777 183 HG SER 26 HG SER 26 -5.971 5.579 -1.229 184 H SER 27 H SER 27 -5.279 1.566 -0.615 185 HA SER 27 HA SER 27 -3.698 2.908 1.258 186 HB2 SER 27 1HB SER 27 -3.847 -0.055 0.653 187 HB3 SER 27 2HB SER 27 -3.113 0.642 2.096 188 HG SER 27 HG SER 27 -5.181 0.129 2.648 189 H LEU 28 H LEU 28 -2.776 0.870 -1.489 190 HA LEU 28 HA LEU 28 0.001 0.897 -1.010 191 HB2 LEU 28 1HB LEU 28 -0.861 -0.743 -2.476 192 HB3 LEU 28 2HB LEU 28 -1.641 0.469 -3.490 193 HG LEU 28 HG LEU 28 0.540 1.207 -4.300 194 HD11 LEU 28 1HD1 LEU 28 2.217 0.888 -2.839 195 HD12 LEU 28 2HD1 LEU 28 2.374 -0.667 -3.655 196 HD13 LEU 28 3HD1 LEU 28 1.478 -0.553 -2.140 197 HD21 LEU 28 3HD2 LEU 28 0.396 -0.324 -5.903 198 HD22 LEU 28 1HD2 LEU 28 -0.747 -1.202 -4.886 199 HD23 LEU 28 2HD2 LEU 28 0.972 -1.592 -4.819 200 H THR 29 H THR 29 -2.025 2.903 -3.135 201 HA THR 29 HA THR 29 -0.080 4.480 -4.288 202 HB THR 29 HB THR 29 -2.840 5.352 -3.408 203 HG1 THR 29 HG1 THR 29 -2.121 4.666 -6.045 204 HG21 THR 29 3HG2 THR 29 -1.771 6.622 -5.780 205 HG22 THR 29 1HG2 THR 29 -0.756 6.928 -4.372 206 HG23 THR 29 2HG2 THR 29 -2.468 7.350 -4.334 207 H VAL 30 H VAL 30 -1.960 5.330 -1.373 208 HA VAL 30 HA VAL 30 -0.481 7.612 -0.710 209 HB VAL 30 HB VAL 30 -2.689 7.094 0.258 210 HG11 VAL 30 1HG1 VAL 30 -2.580 5.551 2.333 211 HG12 VAL 30 2HG1 VAL 30 -2.707 4.822 0.730 212 HG13 VAL 30 3HG1 VAL 30 -1.148 4.879 1.554 213 HG21 VAL 30 3HG2 VAL 30 -2.207 8.502 1.914 214 HG22 VAL 30 1HG2 VAL 30 -1.246 7.282 2.751 215 HG23 VAL 30 2HG2 VAL 30 -0.504 8.288 1.508 216 H HIS 31 H HIS 31 0.352 4.323 -0.493 217 HA HIS 31 HA HIS 31 2.311 4.724 1.624 218 HB2 HIS 31 1HB HIS 31 1.467 2.621 1.936 219 HB3 HIS 31 2HB HIS 31 1.147 2.378 0.221 220 HD1 HIS 31 HD1 HIS 31 4.158 2.531 2.543 221 HD2 HIS 31 HD2 HIS 31 2.904 0.699 -0.969 222 HE1 HIS 31 HE1 HIS 31 6.004 0.941 1.918 223 H GLN 32 H GLN 32 2.124 4.499 -1.836 224 HA GLN 32 HA GLN 32 4.857 3.937 -2.339 225 HB2 GLN 32 1HB GLN 32 2.714 3.891 -3.901 226 HB3 GLN 32 2HB GLN 32 3.246 5.523 -4.283 227 HG2 GLN 32 1HG GLN 32 4.258 4.250 -5.919 228 HG3 GLN 32 2HG GLN 32 5.538 4.439 -4.722 229 HE21 GLN 32 1HE2 GLN 32 2.746 2.272 -5.061 230 HE22 GLN 32 2HE2 GLN 32 3.644 0.808 -4.874 231 H ARG 33 H ARG 33 3.043 6.891 -1.816 232 HA ARG 33 HA ARG 33 4.788 8.803 -2.761 233 HB2 ARG 33 1HB ARG 33 3.693 10.353 -1.373 234 HB3 ARG 33 2HB ARG 33 2.487 9.115 -1.693 235 HG2 ARG 33 1HG ARG 33 2.928 8.109 0.484 236 HG3 ARG 33 2HG ARG 33 4.155 9.336 0.804 237 HD2 ARG 33 1HD ARG 33 1.228 9.871 0.309 238 HD3 ARG 33 2HD ARG 33 2.009 9.851 1.890 239 HE ARG 33 HE ARG 33 2.956 11.909 1.430 240 HH11 ARG 33 1HH1 ARG 33 1.391 10.632 -1.405 241 HH12 ARG 33 2HH1 ARG 33 1.478 12.123 -2.284 242 HH21 ARG 33 1HH2 ARG 33 3.077 13.877 0.283 243 HH22 ARG 33 2HH2 ARG 33 2.438 13.967 -1.323 244 H ILE 34 H ILE 34 4.997 6.884 0.162 245 HA ILE 34 HA ILE 34 6.898 8.299 1.597 246 HB ILE 34 HB ILE 34 6.320 5.363 1.388 247 HG12 ILE 34 1HG1 ILE 34 5.806 5.840 3.876 248 HG13 ILE 34 2HG1 ILE 34 5.888 7.539 3.422 249 HG21 ILE 34 1HG2 ILE 34 8.459 6.643 3.084 250 HG22 ILE 34 2HG2 ILE 34 7.889 4.984 3.253 251 HG23 ILE 34 3HG2 ILE 34 8.704 5.489 1.773 252 HD11 ILE 34 3HD1 ILE 34 4.053 5.528 2.145 253 HD12 ILE 34 1HD1 ILE 34 3.596 6.614 3.456 254 HD13 ILE 34 2HD1 ILE 34 4.068 7.273 1.890 255 H HIS 35 H HIS 35 7.445 5.754 -0.834 256 HA HIS 35 HA HIS 35 10.275 5.972 -0.769 257 HB2 HIS 35 1HB HIS 35 8.708 4.944 -3.124 258 HB3 HIS 35 2HB HIS 35 10.295 4.434 -2.555 259 HD1 HIS 35 HD1 HIS 35 10.162 3.268 -0.029 260 HD2 HIS 35 HD2 HIS 35 6.736 3.257 -2.379 261 HE1 HIS 35 HE1 HIS 35 8.695 1.464 0.929 262 H THR 36 H THR 36 7.765 7.647 -2.494 263 HA THR 36 HA THR 36 9.814 9.125 -4.013 264 HB THR 36 HB THR 36 8.279 7.949 -5.498 265 HG1 THR 36 HG1 THR 36 7.267 10.094 -6.360 266 HG21 THR 36 3HG2 THR 36 6.378 8.016 -3.774 267 HG22 THR 36 1HG2 THR 36 5.947 8.200 -5.473 268 HG23 THR 36 2HG2 THR 36 6.021 9.615 -4.424 269 H GLY 37 H GLY 37 9.531 9.951 -1.475 270 HA2 GLY 37 1HA GLY 37 8.791 12.655 -1.741 271 HA3 GLY 37 2HA GLY 37 7.499 11.796 -0.917 272 H GLU 38 H GLU 38 8.578 10.162 0.805 273 HA GLU 38 HA GLU 38 9.537 11.803 2.868 274 HB2 GLU 38 1HB GLU 38 9.594 8.797 2.570 275 HB3 GLU 38 2HB GLU 38 10.004 9.645 4.054 276 HG2 GLU 38 1HG GLU 38 7.346 9.919 2.680 277 HG3 GLU 38 2HG GLU 38 7.677 8.721 3.930 278 H LYS 39 H LYS 39 11.602 11.017 4.144 279 HA LYS 39 HA LYS 39 13.869 11.320 4.223 280 HB2 LYS 39 1HB LYS 39 13.355 9.063 2.353 281 HB3 LYS 39 2HB LYS 39 15.001 9.677 2.446 282 HG2 LYS 39 1HG LYS 39 15.098 9.219 4.800 283 HG3 LYS 39 2HG LYS 39 13.393 8.765 4.822 284 HD2 LYS 39 1HD LYS 39 14.374 6.695 4.712 285 HD3 LYS 39 2HD LYS 39 14.164 7.039 2.994 286 HE2 LYS 39 1HE LYS 39 16.685 7.914 4.307 287 HE3 LYS 39 2HE LYS 39 16.471 6.194 3.982 288 HZ1 LYS 39 3HZ LYS 39 16.552 6.510 1.750 289 HZ2 LYS 39 1HZ LYS 39 17.517 7.819 2.216 290 HZ3 LYS 39 2HZ LYS 39 15.893 8.067 1.814 291 HA PRO 40 HA PRO 40 13.818 13.954 0.291 292 HB2 PRO 40 1HB PRO 40 13.510 16.361 1.509 293 HB3 PRO 40 2HB PRO 40 12.145 15.372 0.977 294 HG2 PRO 40 1HG PRO 40 13.325 15.654 3.713 295 HG3 PRO 40 2HG PRO 40 11.620 15.608 3.230 296 HD2 PRO 40 1HD PRO 40 12.903 13.455 4.255 297 HD3 PRO 40 2HD PRO 40 11.602 13.309 3.057 298 H SER 41 H SER 41 15.627 13.394 3.008 299 HA SER 41 HA SER 41 17.920 14.787 1.871 300 HB2 SER 41 1HB SER 41 16.771 16.250 3.654 301 HB3 SER 41 2HB SER 41 17.370 15.071 4.821 302 HG SER 41 HG SER 41 19.212 16.049 4.705 303 H GLY 42 H GLY 42 19.955 13.971 2.602 304 HA2 GLY 42 1HA GLY 42 20.996 12.378 4.264 305 HA3 GLY 42 2HA GLY 42 19.724 11.269 3.773 306 HA PRO 43 HA PRO 43 22.705 9.671 0.928 307 HB2 PRO 43 1HB PRO 43 21.022 8.047 -0.450 308 HB3 PRO 43 2HB PRO 43 21.618 7.661 1.169 309 HG2 PRO 43 1HG PRO 43 18.990 8.835 0.347 310 HG3 PRO 43 2HG PRO 43 19.325 7.575 1.549 311 HD2 PRO 43 1HD PRO 43 18.849 10.152 2.233 312 HD3 PRO 43 2HD PRO 43 19.938 9.102 3.163 313 H SER 44 H SER 44 20.262 11.823 0.239 314 HA SER 44 HA SER 44 21.279 12.208 -2.479 315 HB2 SER 44 1HB SER 44 19.065 10.880 -2.430 316 HB3 SER 44 2HB SER 44 18.322 12.404 -1.945 317 HG SER 44 HG SER 44 19.934 12.106 -4.258 318 H SER 45 H SER 45 20.754 14.349 -3.357 319 HA SER 45 HA SER 45 20.951 16.356 -1.269 320 HB2 SER 45 1HB SER 45 21.480 17.904 -3.103 321 HB3 SER 45 2HB SER 45 22.483 16.456 -3.194 322 HG SER 45 HG SER 45 21.058 15.667 -4.798 323 H GLY 46 H GLY 46 19.719 18.428 -1.543 324 HA2 GLY 46 1HA GLY 46 17.327 18.590 -3.003 325 HA3 GLY 46 2HA GLY 46 16.954 17.934 -1.416 Start of MODEL 11 1 H1 GLY 1 H GLY 1 3.095 -27.149 -6.710 2 HA2 GLY 1 1HA GLY 1 4.126 -29.729 -5.790 3 HA3 GLY 1 2HA GLY 1 2.988 -29.744 -7.128 4 H SER 2 H SER 2 3.819 -29.668 -9.104 5 HA SER 2 HA SER 2 6.660 -29.125 -9.410 6 HB2 SER 2 1HB SER 2 5.655 -31.127 -10.472 7 HB3 SER 2 2HB SER 2 4.643 -30.074 -11.461 8 HG SER 2 HG SER 2 7.346 -30.651 -11.665 9 H SER 3 H SER 3 3.574 -27.949 -10.708 10 HA SER 3 HA SER 3 4.513 -26.056 -12.491 11 HB2 SER 3 1HB SER 3 2.093 -26.778 -12.032 12 HB3 SER 3 2HB SER 3 2.101 -25.571 -10.747 13 HG SER 3 HG SER 3 2.396 -23.979 -12.243 14 H GLY 4 H GLY 4 6.203 -24.785 -11.924 15 HA2 GLY 4 1HA GLY 4 5.914 -23.155 -9.481 16 HA3 GLY 4 2HA GLY 4 7.451 -23.585 -10.215 17 H SER 5 H SER 5 4.467 -21.760 -10.814 18 HA SER 5 HA SER 5 6.062 -19.641 -12.024 19 HB2 SER 5 1HB SER 5 5.205 -21.264 -13.828 20 HB3 SER 5 2HB SER 5 3.603 -20.623 -13.466 21 HG SER 5 HG SER 5 4.522 -19.445 -15.147 22 H SER 6 H SER 6 4.483 -17.759 -12.642 23 HA SER 6 HA SER 6 2.539 -17.481 -10.443 24 HB2 SER 6 1HB SER 6 3.072 -15.084 -10.398 25 HB3 SER 6 2HB SER 6 4.520 -16.052 -10.123 26 HG SER 6 HG SER 6 3.736 -14.822 -12.559 27 H GLY 7 H GLY 7 0.981 -15.558 -10.950 28 HA2 GLY 7 1HA GLY 7 0.150 -14.477 -13.184 29 HA3 GLY 7 2HA GLY 7 -0.185 -16.158 -13.572 30 H ALA 8 H ALA 8 -1.296 -17.242 -11.453 31 HA ALA 8 HA ALA 8 -3.724 -15.643 -11.064 32 HB1 ALA 8 3HB ALA 8 -3.497 -18.542 -10.360 33 HB2 ALA 8 1HB ALA 8 -4.920 -17.614 -10.833 34 HB3 ALA 8 2HB ALA 8 -3.703 -18.040 -12.037 35 H GLY 9 H GLY 9 -2.736 -14.325 -9.405 36 HA2 GLY 9 1HA GLY 9 -2.678 -15.719 -6.803 37 HA3 GLY 9 2HA GLY 9 -1.479 -14.501 -7.213 38 H LYS 10 H LYS 10 -3.730 -14.771 -5.144 39 HA LYS 10 HA LYS 10 -5.805 -13.049 -5.485 40 HB2 LYS 10 1HB LYS 10 -5.692 -12.579 -3.071 41 HB3 LYS 10 2HB LYS 10 -5.454 -14.287 -3.416 42 HG2 LYS 10 1HG LYS 10 -2.922 -13.646 -3.355 43 HG3 LYS 10 2HG LYS 10 -3.506 -12.262 -2.428 44 HD2 LYS 10 1HD LYS 10 -3.061 -13.816 -0.770 45 HD3 LYS 10 2HD LYS 10 -4.788 -14.051 -1.050 46 HE2 LYS 10 1HE LYS 10 -4.111 -15.874 -2.690 47 HE3 LYS 10 2HE LYS 10 -2.493 -15.747 -2.001 48 HZ1 LYS 10 3HZ LYS 10 -4.725 -16.073 -0.144 49 HZ2 LYS 10 1HZ LYS 10 -3.146 -16.675 -0.055 50 HZ3 LYS 10 2HZ LYS 10 -4.280 -17.422 -1.063 51 H LYS 11 H LYS 11 -2.451 -12.179 -4.790 52 HA LYS 11 HA LYS 11 -2.755 -9.456 -4.347 53 HB2 LYS 11 1HB LYS 11 -0.641 -11.066 -4.340 54 HB3 LYS 11 2HB LYS 11 -0.417 -10.388 -5.947 55 HG2 LYS 11 1HG LYS 11 0.834 -8.955 -4.670 56 HG3 LYS 11 2HG LYS 11 -0.714 -8.107 -4.720 57 HD2 LYS 11 1HD LYS 11 -0.239 -10.047 -2.513 58 HD3 LYS 11 2HD LYS 11 0.589 -8.489 -2.449 59 HE2 LYS 11 1HE LYS 11 -1.747 -7.494 -2.927 60 HE3 LYS 11 2HE LYS 11 -2.351 -9.071 -2.422 61 HZ1 LYS 11 3HZ LYS 11 -1.144 -6.955 -0.840 62 HZ2 LYS 11 1HZ LYS 11 -0.680 -8.530 -0.431 63 HZ3 LYS 11 2HZ LYS 11 -2.315 -8.098 -0.409 64 H LEU 12 H LEU 12 -2.211 -7.649 -5.789 65 HA LEU 12 HA LEU 12 -2.873 -8.142 -8.606 66 HB2 LEU 12 1HB LEU 12 -3.999 -5.680 -8.073 67 HB3 LEU 12 2HB LEU 12 -4.861 -7.197 -8.319 68 HG LEU 12 HG LEU 12 -5.669 -6.023 -6.342 69 HD11 LEU 12 1HD1 LEU 12 -4.326 -8.181 -4.947 70 HD12 LEU 12 2HD1 LEU 12 -4.956 -8.686 -6.515 71 HD13 LEU 12 3HD1 LEU 12 -6.036 -7.966 -5.321 72 HD21 LEU 12 3HD2 LEU 12 -4.360 -5.114 -4.769 73 HD22 LEU 12 1HD2 LEU 12 -3.073 -5.267 -5.966 74 HD23 LEU 12 2HD2 LEU 12 -3.277 -6.507 -4.728 75 H PHE 13 H PHE 13 -1.406 -6.088 -6.172 76 HA PHE 13 HA PHE 13 0.348 -4.984 -8.253 77 HB2 PHE 13 1HB PHE 13 0.297 -2.832 -6.771 78 HB3 PHE 13 2HB PHE 13 -0.998 -3.120 -7.929 79 HD1 PHE 13 HD1 PHE 13 -0.181 -3.972 -4.386 80 HD2 PHE 13 HD2 PHE 13 -3.132 -2.741 -7.196 81 HE1 PHE 13 HE1 PHE 13 -1.834 -3.799 -2.571 82 HE2 PHE 13 HE2 PHE 13 -4.788 -2.565 -5.386 83 HZ PHE 13 HZ PHE 13 -4.140 -3.094 -3.069 84 H LYS 14 H LYS 14 2.457 -4.516 -7.601 85 HA LYS 14 HA LYS 14 3.193 -5.281 -4.863 86 HB2 LYS 14 1HB LYS 14 3.892 -7.239 -5.797 87 HB3 LYS 14 2HB LYS 14 4.058 -6.538 -7.402 88 HG2 LYS 14 1HG LYS 14 6.216 -7.206 -6.577 89 HG3 LYS 14 2HG LYS 14 6.144 -5.446 -6.685 90 HD2 LYS 14 1HD LYS 14 7.057 -5.645 -4.605 91 HD3 LYS 14 2HD LYS 14 5.349 -5.704 -4.165 92 HE2 LYS 14 1HE LYS 14 7.184 -8.064 -4.570 93 HE3 LYS 14 2HE LYS 14 6.580 -7.460 -3.027 94 HZ1 LYS 14 3HZ LYS 14 5.256 -9.309 -3.643 95 HZ2 LYS 14 1HZ LYS 14 5.008 -8.713 -5.207 96 HZ3 LYS 14 2HZ LYS 14 4.302 -7.932 -3.883 97 H CYS 15 H CYS 15 4.617 -3.945 -3.928 98 HA CYS 15 HA CYS 15 5.629 -1.711 -5.499 99 HB2 CYS 15 1HB CYS 15 4.554 -1.125 -3.426 100 HB3 CYS 15 2HB CYS 15 5.570 -2.245 -2.525 101 H ASN 16 H ASN 16 7.434 -2.243 -6.591 102 HA ASN 16 HA ASN 16 9.435 -3.992 -5.509 103 HB2 ASN 16 1HB ASN 16 9.622 -2.204 -7.942 104 HB3 ASN 16 2HB ASN 16 10.638 -3.594 -7.574 105 HD21 ASN 16 1HD2 ASN 16 9.976 -5.583 -8.141 106 HD22 ASN 16 2HD2 ASN 16 8.474 -5.928 -8.922 107 H GLU 17 H GLU 17 9.115 -2.013 -3.684 108 HA GLU 17 HA GLU 17 11.663 -0.563 -3.894 109 HB2 GLU 17 1HB GLU 17 9.214 0.638 -2.613 110 HB3 GLU 17 2HB GLU 17 10.730 1.435 -3.009 111 HG2 GLU 17 1HG GLU 17 10.046 0.695 -5.458 112 HG3 GLU 17 2HG GLU 17 8.434 0.745 -4.748 113 H CYS 18 H CYS 18 9.094 -1.730 -1.750 114 HA CYS 18 HA CYS 18 11.128 -2.080 0.355 115 HB2 CYS 18 1HB CYS 18 9.264 -1.811 1.996 116 HB3 CYS 18 2HB CYS 18 9.594 -0.358 1.057 117 H LYS 19 H LYS 19 8.849 -3.555 -1.668 118 HA LYS 19 HA LYS 19 8.329 -5.756 -1.985 119 HB2 LYS 19 1HB LYS 19 9.902 -6.452 0.487 120 HB3 LYS 19 2HB LYS 19 9.551 -7.470 -0.904 121 HG2 LYS 19 1HG LYS 19 11.334 -5.044 -0.950 122 HG3 LYS 19 2HG LYS 19 11.890 -6.715 -0.830 123 HD2 LYS 19 1HD LYS 19 10.604 -7.123 -2.993 124 HD3 LYS 19 2HD LYS 19 10.499 -5.366 -3.130 125 HE2 LYS 19 1HE LYS 19 12.817 -5.131 -3.343 126 HE3 LYS 19 2HE LYS 19 13.129 -6.745 -2.706 127 HZ1 LYS 19 3HZ LYS 19 11.599 -7.181 -4.922 128 HZ2 LYS 19 1HZ LYS 19 13.277 -7.373 -4.818 129 HZ3 LYS 19 2HZ LYS 19 12.626 -5.923 -5.396 130 H LYS 20 H LYS 20 6.452 -4.251 -0.857 131 HA LYS 20 HA LYS 20 5.095 -6.134 0.894 132 HB2 LYS 20 1HB LYS 20 6.264 -4.585 2.429 133 HB3 LYS 20 2HB LYS 20 5.442 -3.231 1.666 134 HG2 LYS 20 1HG LYS 20 3.273 -4.419 2.327 135 HG3 LYS 20 2HG LYS 20 4.291 -5.391 3.393 136 HD2 LYS 20 1HD LYS 20 4.334 -2.384 3.429 137 HD3 LYS 20 2HD LYS 20 3.202 -3.323 4.405 138 HE2 LYS 20 1HE LYS 20 5.163 -4.525 5.378 139 HE3 LYS 20 2HE LYS 20 6.214 -3.403 4.515 140 HZ1 LYS 20 3HZ LYS 20 5.441 -2.973 6.984 141 HZ2 LYS 20 1HZ LYS 20 4.122 -2.260 6.201 142 HZ3 LYS 20 2HZ LYS 20 5.689 -1.702 5.895 143 H THR 21 H THR 21 2.816 -5.854 0.950 144 HA THR 21 HA THR 21 1.740 -3.954 -1.022 145 HB THR 21 HB THR 21 0.066 -5.746 -1.656 146 HG1 THR 21 HG1 THR 21 1.837 -7.744 -0.963 147 HG21 THR 21 3HG2 THR 21 2.991 -6.103 -2.300 148 HG22 THR 21 1HG2 THR 21 1.792 -5.189 -3.213 149 HG23 THR 21 2HG2 THR 21 1.696 -6.949 -3.147 150 H PHE 22 H PHE 22 -0.835 -4.161 -0.856 151 HA PHE 22 HA PHE 22 -1.638 -4.329 1.953 152 HB2 PHE 22 1HB PHE 22 -2.334 -1.940 0.241 153 HB3 PHE 22 2HB PHE 22 -2.666 -2.162 1.956 154 HD1 PHE 22 HD1 PHE 22 0.156 -1.924 -0.456 155 HD2 PHE 22 HD2 PHE 22 -1.208 -1.301 3.528 156 HE1 PHE 22 HE1 PHE 22 2.280 -0.811 0.094 157 HE2 PHE 22 HE2 PHE 22 0.914 -0.186 4.083 158 HZ PHE 22 HZ PHE 22 2.661 0.061 2.365 159 H THR 23 H THR 23 -3.911 -4.548 2.274 160 HA THR 23 HA THR 23 -5.196 -5.983 0.124 161 HB THR 23 HB THR 23 -5.352 -6.778 2.464 162 HG1 THR 23 HG1 THR 23 -7.983 -6.104 1.748 163 HG21 THR 23 3HG2 THR 23 -7.358 -4.642 3.040 164 HG22 THR 23 1HG2 THR 23 -5.645 -4.299 3.277 165 HG23 THR 23 2HG2 THR 23 -6.410 -5.622 4.157 166 H GLN 24 H GLN 24 -4.788 -2.899 0.292 167 HA GLN 24 HA GLN 24 -7.445 -2.277 -0.760 168 HB2 GLN 24 1HB GLN 24 -6.121 -0.974 1.573 169 HB3 GLN 24 2HB GLN 24 -7.052 0.036 0.475 170 HG2 GLN 24 1HG GLN 24 -8.029 -2.309 2.080 171 HG3 GLN 24 2HG GLN 24 -8.473 -0.613 2.266 172 HE21 GLN 24 1HE2 GLN 24 -10.108 -3.014 1.754 173 HE22 GLN 24 2HE2 GLN 24 -11.006 -2.663 0.321 174 H SER 25 H SER 25 -7.117 -1.603 -2.766 175 HA SER 25 HA SER 25 -4.783 -0.951 -3.997 176 HB2 SER 25 1HB SER 25 -7.572 0.070 -4.542 177 HB3 SER 25 2HB SER 25 -6.209 0.415 -5.607 178 HG SER 25 HG SER 25 -7.722 -1.723 -5.613 179 H SER 26 H SER 26 -6.801 1.156 -2.051 180 HA SER 26 HA SER 26 -5.438 3.571 -2.724 181 HB2 SER 26 1HB SER 26 -7.801 3.312 -1.736 182 HB3 SER 26 2HB SER 26 -6.992 3.126 -0.180 183 HG SER 26 HG SER 26 -7.625 5.318 -0.731 184 H SER 27 H SER 27 -5.037 1.098 -0.281 185 HA SER 27 HA SER 27 -3.360 2.462 1.494 186 HB2 SER 27 1HB SER 27 -3.590 -0.465 0.790 187 HB3 SER 27 2HB SER 27 -2.504 0.122 2.049 188 HG SER 27 HG SER 27 -4.478 1.169 2.921 189 H LEU 28 H LEU 28 -2.565 0.487 -1.349 190 HA LEU 28 HA LEU 28 0.239 0.771 -1.121 191 HB2 LEU 28 1HB LEU 28 -0.582 -1.017 -2.426 192 HB3 LEU 28 2HB LEU 28 -1.576 0.059 -3.407 193 HG LEU 28 HG LEU 28 0.480 0.992 -4.409 194 HD11 LEU 28 1HD1 LEU 28 1.767 -0.043 -2.247 195 HD12 LEU 28 2HD1 LEU 28 2.553 0.482 -3.735 196 HD13 LEU 28 3HD1 LEU 28 2.165 -1.222 -3.497 197 HD21 LEU 28 3HD2 LEU 28 0.763 -1.927 -4.812 198 HD22 LEU 28 1HD2 LEU 28 0.577 -0.629 -5.992 199 HD23 LEU 28 2HD2 LEU 28 -0.829 -1.226 -5.109 200 H THR 29 H THR 29 -2.177 2.495 -3.072 201 HA THR 29 HA THR 29 -0.527 4.170 -4.511 202 HB THR 29 HB THR 29 -3.228 4.847 -3.329 203 HG1 THR 29 HG1 THR 29 -2.761 2.995 -4.966 204 HG21 THR 29 3HG2 THR 29 -1.508 6.639 -4.410 205 HG22 THR 29 1HG2 THR 29 -3.264 6.774 -4.510 206 HG23 THR 29 2HG2 THR 29 -2.353 6.086 -5.855 207 H VAL 30 H VAL 30 -2.155 5.062 -1.460 208 HA VAL 30 HA VAL 30 -0.733 7.447 -1.069 209 HB VAL 30 HB VAL 30 -2.857 6.782 0.104 210 HG11 VAL 30 1HG1 VAL 30 -2.449 4.598 0.857 211 HG12 VAL 30 2HG1 VAL 30 -0.921 5.052 1.615 212 HG13 VAL 30 3HG1 VAL 30 -2.449 5.583 2.319 213 HG21 VAL 30 3HG2 VAL 30 -0.556 7.763 1.791 214 HG22 VAL 30 1HG2 VAL 30 -1.631 8.745 0.796 215 HG23 VAL 30 2HG2 VAL 30 -2.260 7.916 2.219 216 H HIS 31 H HIS 31 0.132 4.155 -0.489 217 HA HIS 31 HA HIS 31 2.233 4.735 1.392 218 HB2 HIS 31 1HB HIS 31 1.491 2.586 1.731 219 HB3 HIS 31 2HB HIS 31 1.196 2.302 0.018 220 HD1 HIS 31 HD1 HIS 31 3.900 2.177 2.606 221 HD2 HIS 31 HD2 HIS 31 3.353 1.259 -1.409 222 HE1 HIS 31 HE1 HIS 31 5.926 0.846 1.939 223 H GLN 32 H GLN 32 1.941 4.301 -2.069 224 HA GLN 32 HA GLN 32 4.619 3.905 -2.736 225 HB2 GLN 32 1HB GLN 32 2.400 3.953 -4.182 226 HB3 GLN 32 2HB GLN 32 2.910 5.607 -4.493 227 HG2 GLN 32 1HG GLN 32 3.747 4.285 -6.259 228 HG3 GLN 32 2HG GLN 32 5.120 4.688 -5.230 229 HE21 GLN 32 1HE2 GLN 32 2.702 2.162 -5.774 230 HE22 GLN 32 2HE2 GLN 32 3.742 0.838 -5.387 231 H ARG 33 H ARG 33 2.901 6.801 -1.829 232 HA ARG 33 HA ARG 33 4.613 8.763 -2.798 233 HB2 ARG 33 1HB ARG 33 3.111 8.797 -0.174 234 HB3 ARG 33 2HB ARG 33 3.723 10.202 -1.037 235 HG2 ARG 33 1HG ARG 33 2.110 10.056 -2.686 236 HG3 ARG 33 2HG ARG 33 1.793 8.350 -2.366 237 HD2 ARG 33 1HD ARG 33 -0.071 9.481 -1.502 238 HD3 ARG 33 2HD ARG 33 0.923 9.107 -0.095 239 HE ARG 33 HE ARG 33 1.160 11.346 0.266 240 HH11 ARG 33 1HH1 ARG 33 0.178 10.846 -3.036 241 HH12 ARG 33 2HH1 ARG 33 -0.012 12.535 -3.373 242 HH21 ARG 33 1HH2 ARG 33 0.914 13.573 -0.164 243 HH22 ARG 33 2HH2 ARG 33 0.408 14.085 -1.739 244 H ILE 34 H ILE 34 4.849 6.786 0.110 245 HA ILE 34 HA ILE 34 6.853 8.071 1.490 246 HB ILE 34 HB ILE 34 6.217 5.153 1.189 247 HG12 ILE 34 1HG1 ILE 34 5.858 5.621 3.754 248 HG13 ILE 34 2HG1 ILE 34 5.788 7.301 3.232 249 HG21 ILE 34 1HG2 ILE 34 7.817 4.880 3.183 250 HG22 ILE 34 2HG2 ILE 34 8.509 4.987 1.565 251 HG23 ILE 34 3HG2 ILE 34 8.533 6.393 2.629 252 HD11 ILE 34 3HD1 ILE 34 4.043 5.099 2.157 253 HD12 ILE 34 1HD1 ILE 34 3.575 6.237 3.420 254 HD13 ILE 34 2HD1 ILE 34 3.924 6.820 1.793 255 H HIS 35 H HIS 35 7.080 6.197 -1.443 256 HA HIS 35 HA HIS 35 9.995 6.216 -1.366 257 HB2 HIS 35 1HB HIS 35 8.192 5.133 -3.536 258 HB3 HIS 35 2HB HIS 35 9.905 4.794 -3.309 259 HD1 HIS 35 HD1 HIS 35 10.503 3.347 -1.130 260 HD2 HIS 35 HD2 HIS 35 6.495 3.443 -2.219 261 HE1 HIS 35 HE1 HIS 35 9.430 1.426 0.087 262 H THR 36 H THR 36 7.405 8.040 -2.639 263 HA THR 36 HA THR 36 8.748 9.126 -4.914 264 HB THR 36 HB THR 36 6.928 10.694 -5.070 265 HG1 THR 36 HG1 THR 36 6.844 11.134 -2.754 266 HG21 THR 36 3HG2 THR 36 6.210 8.636 -5.892 267 HG22 THR 36 1HG2 THR 36 4.946 9.061 -4.739 268 HG23 THR 36 2HG2 THR 36 6.190 7.893 -4.293 269 H GLY 37 H GLY 37 8.302 10.150 -1.559 270 HA2 GLY 37 1HA GLY 37 10.477 11.356 -0.850 271 HA3 GLY 37 2HA GLY 37 9.980 12.509 -2.079 272 H GLU 38 H GLU 38 7.194 11.351 -0.811 273 HA GLU 38 HA GLU 38 6.151 13.572 0.234 274 HB2 GLU 38 1HB GLU 38 4.939 12.055 1.931 275 HB3 GLU 38 2HB GLU 38 4.725 11.725 0.217 276 HG2 GLU 38 1HG GLU 38 5.132 9.617 0.905 277 HG3 GLU 38 2HG GLU 38 6.802 10.129 0.671 278 H LYS 39 H LYS 39 6.205 14.793 2.069 279 HA LYS 39 HA LYS 39 8.559 14.950 3.546 280 HB2 LYS 39 1HB LYS 39 5.790 15.976 4.187 281 HB3 LYS 39 2HB LYS 39 7.230 16.410 5.101 282 HG2 LYS 39 1HG LYS 39 8.206 17.427 3.125 283 HG3 LYS 39 2HG LYS 39 6.803 16.947 2.168 284 HD2 LYS 39 1HD LYS 39 6.243 19.114 2.670 285 HD3 LYS 39 2HD LYS 39 5.491 18.269 4.025 286 HE2 LYS 39 1HE LYS 39 8.262 19.445 4.126 287 HE3 LYS 39 2HE LYS 39 6.816 20.319 4.630 288 HZ1 LYS 39 3HZ LYS 39 6.522 18.083 6.018 289 HZ2 LYS 39 1HZ LYS 39 7.361 19.426 6.611 290 HZ3 LYS 39 2HZ LYS 39 8.211 18.128 5.938 291 HA PRO 40 HA PRO 40 8.197 11.749 6.551 292 HB2 PRO 40 1HB PRO 40 9.902 12.738 8.418 293 HB3 PRO 40 2HB PRO 40 10.451 12.028 6.895 294 HG2 PRO 40 1HG PRO 40 10.115 14.911 7.629 295 HG3 PRO 40 2HG PRO 40 11.437 14.128 6.742 296 HD2 PRO 40 1HD PRO 40 9.462 15.503 5.500 297 HD3 PRO 40 2HD PRO 40 10.258 14.098 4.761 298 H SER 41 H SER 41 6.945 11.295 8.287 299 HA SER 41 HA SER 41 6.282 13.273 10.266 300 HB2 SER 41 1HB SER 41 4.247 12.402 8.220 301 HB3 SER 41 2HB SER 41 3.768 12.978 9.816 302 HG SER 41 HG SER 41 4.083 14.926 9.128 303 H GLY 42 H GLY 42 5.666 12.349 12.161 304 HA2 GLY 42 1HA GLY 42 4.256 10.087 12.677 305 HA3 GLY 42 2HA GLY 42 5.871 9.478 12.344 306 HA PRO 43 HA PRO 43 5.342 11.524 16.708 307 HB2 PRO 43 1HB PRO 43 3.993 9.647 18.131 308 HB3 PRO 43 2HB PRO 43 3.189 10.987 17.304 309 HG2 PRO 43 1HG PRO 43 3.518 8.143 16.428 310 HG3 PRO 43 2HG PRO 43 2.088 9.187 16.326 311 HD2 PRO 43 1HD PRO 43 3.706 8.721 14.206 312 HD3 PRO 43 2HD PRO 43 2.851 10.260 14.435 313 H SER 44 H SER 44 5.457 7.998 16.174 314 HA SER 44 HA SER 44 6.862 6.387 16.975 315 HB2 SER 44 1HB SER 44 8.290 7.839 15.363 316 HB3 SER 44 2HB SER 44 9.071 8.423 16.832 317 HG SER 44 HG SER 44 9.838 6.383 15.603 318 H SER 45 H SER 45 5.520 7.715 19.012 319 HA SER 45 HA SER 45 6.903 8.847 21.071 320 HB2 SER 45 1HB SER 45 5.164 8.171 22.510 321 HB3 SER 45 2HB SER 45 4.404 8.229 20.921 322 HG SER 45 HG SER 45 5.397 5.910 22.226 323 H GLY 46 H GLY 46 8.461 8.265 22.450 324 HA2 GLY 46 1HA GLY 46 10.202 6.999 23.279 325 HA3 GLY 46 2HA GLY 46 8.907 5.888 23.701 Start of MODEL 12 1 H1 GLY 1 H GLY 1 9.032 -27.148 -13.449 2 HA2 GLY 1 1HA GLY 1 9.619 -29.107 -15.559 3 HA3 GLY 1 2HA GLY 1 8.481 -29.538 -14.292 4 H SER 2 H SER 2 6.417 -28.734 -14.337 5 HA SER 2 HA SER 2 5.257 -28.119 -16.765 6 HB2 SER 2 1HB SER 2 4.397 -27.839 -13.922 7 HB3 SER 2 2HB SER 2 3.427 -27.040 -15.159 8 HG SER 2 HG SER 2 3.184 -29.483 -14.475 9 H SER 3 H SER 3 5.720 -25.796 -14.093 10 HA SER 3 HA SER 3 6.157 -23.698 -16.109 11 HB2 SER 3 1HB SER 3 4.180 -23.767 -13.880 12 HB3 SER 3 2HB SER 3 4.972 -22.229 -14.221 13 HG SER 3 HG SER 3 4.203 -22.344 -16.331 14 H GLY 4 H GLY 4 7.702 -22.185 -15.630 15 HA2 GLY 4 1HA GLY 4 9.543 -22.887 -13.509 16 HA3 GLY 4 2HA GLY 4 9.780 -21.649 -14.733 17 H SER 5 H SER 5 8.262 -19.709 -14.478 18 HA SER 5 HA SER 5 7.973 -19.068 -11.616 19 HB2 SER 5 1HB SER 5 8.608 -16.719 -12.210 20 HB3 SER 5 2HB SER 5 9.912 -17.883 -12.437 21 HG SER 5 HG SER 5 9.592 -16.373 -14.205 22 H SER 6 H SER 6 6.085 -18.189 -11.000 23 HA SER 6 HA SER 6 4.007 -17.911 -13.017 24 HB2 SER 6 1HB SER 6 3.993 -18.032 -10.006 25 HB3 SER 6 2HB SER 6 2.555 -17.565 -10.915 26 HG SER 6 HG SER 6 3.847 -19.865 -11.766 27 H GLY 7 H GLY 7 4.992 -15.986 -10.172 28 HA2 GLY 7 1HA GLY 7 5.641 -13.656 -10.466 29 HA3 GLY 7 2HA GLY 7 4.475 -13.563 -11.778 30 H ALA 8 H ALA 8 2.190 -13.721 -11.220 31 HA ALA 8 HA ALA 8 1.656 -12.786 -8.475 32 HB1 ALA 8 3HB ALA 8 1.280 -10.877 -9.724 33 HB2 ALA 8 1HB ALA 8 0.634 -11.776 -11.097 34 HB3 ALA 8 2HB ALA 8 -0.332 -11.586 -9.633 35 H GLY 9 H GLY 9 0.169 -13.882 -7.348 36 HA2 GLY 9 1HA GLY 9 -1.527 -15.795 -8.833 37 HA3 GLY 9 2HA GLY 9 -0.824 -16.151 -7.262 38 H LYS 10 H LYS 10 -1.542 -14.816 -5.433 39 HA LYS 10 HA LYS 10 -4.412 -14.361 -5.616 40 HB2 LYS 10 1HB LYS 10 -4.298 -14.198 -3.145 41 HB3 LYS 10 2HB LYS 10 -3.642 -15.709 -3.761 42 HG2 LYS 10 1HG LYS 10 -1.459 -15.117 -3.260 43 HG3 LYS 10 2HG LYS 10 -1.837 -13.394 -3.195 44 HD2 LYS 10 1HD LYS 10 -2.778 -13.549 -1.083 45 HD3 LYS 10 2HD LYS 10 -3.097 -15.278 -1.242 46 HE2 LYS 10 1HE LYS 10 -0.562 -15.566 -1.280 47 HE3 LYS 10 2HE LYS 10 -0.479 -13.896 -0.720 48 HZ1 LYS 10 3HZ LYS 10 -0.402 -15.317 1.168 49 HZ2 LYS 10 1HZ LYS 10 -1.763 -16.185 0.663 50 HZ3 LYS 10 2HZ LYS 10 -1.923 -14.578 1.164 51 H LYS 11 H LYS 11 -1.448 -12.599 -4.882 52 HA LYS 11 HA LYS 11 -2.676 -10.177 -4.096 53 HB2 LYS 11 1HB LYS 11 -0.174 -11.049 -3.935 54 HB3 LYS 11 2HB LYS 11 -0.013 -10.156 -5.441 55 HG2 LYS 11 1HG LYS 11 0.614 -8.627 -3.809 56 HG3 LYS 11 2HG LYS 11 -1.059 -8.195 -4.170 57 HD2 LYS 11 1HD LYS 11 -0.547 -10.149 -1.985 58 HD3 LYS 11 2HD LYS 11 -0.194 -8.446 -1.682 59 HE2 LYS 11 1HE LYS 11 -2.608 -8.164 -2.763 60 HE3 LYS 11 2HE LYS 11 -2.793 -9.804 -2.142 61 HZ1 LYS 11 3HZ LYS 11 -2.549 -9.105 0.024 62 HZ2 LYS 11 1HZ LYS 11 -3.401 -7.808 -0.650 63 HZ3 LYS 11 2HZ LYS 11 -1.734 -7.683 -0.396 64 H LEU 12 H LEU 12 -2.576 -8.127 -5.300 65 HA LEU 12 HA LEU 12 -2.945 -8.520 -8.196 66 HB2 LEU 12 1HB LEU 12 -4.474 -6.324 -7.592 67 HB3 LEU 12 2HB LEU 12 -5.073 -7.957 -7.877 68 HG LEU 12 HG LEU 12 -6.038 -6.893 -5.867 69 HD11 LEU 12 1HD1 LEU 12 -4.872 -8.884 -4.345 70 HD12 LEU 12 2HD1 LEU 12 -4.705 -9.464 -6.002 71 HD13 LEU 12 3HD1 LEU 12 -6.298 -9.046 -5.370 72 HD21 LEU 12 3HD2 LEU 12 -4.057 -7.151 -3.960 73 HD22 LEU 12 1HD2 LEU 12 -4.675 -5.640 -4.628 74 HD23 LEU 12 2HD2 LEU 12 -3.232 -6.384 -5.318 75 H PHE 13 H PHE 13 -1.451 -6.780 -5.673 76 HA PHE 13 HA PHE 13 -0.230 -4.978 -7.646 77 HB2 PHE 13 1HB PHE 13 -1.384 -4.232 -4.963 78 HB3 PHE 13 2HB PHE 13 -0.187 -3.230 -5.777 79 HD1 PHE 13 HD1 PHE 13 -3.369 -4.983 -6.645 80 HD2 PHE 13 HD2 PHE 13 -1.012 -1.453 -6.954 81 HE1 PHE 13 HE1 PHE 13 -5.162 -3.904 -7.940 82 HE2 PHE 13 HE2 PHE 13 -2.801 -0.368 -8.248 83 HZ PHE 13 HZ PHE 13 -4.880 -1.593 -8.742 84 H LYS 14 H LYS 14 1.926 -4.484 -7.309 85 HA LYS 14 HA LYS 14 3.248 -5.702 -4.991 86 HB2 LYS 14 1HB LYS 14 3.816 -7.386 -6.424 87 HB3 LYS 14 2HB LYS 14 3.645 -6.374 -7.852 88 HG2 LYS 14 1HG LYS 14 5.799 -5.653 -7.774 89 HG3 LYS 14 2HG LYS 14 5.898 -5.787 -6.016 90 HD2 LYS 14 1HD LYS 14 5.582 -8.289 -7.590 91 HD3 LYS 14 2HD LYS 14 7.151 -7.482 -7.628 92 HE2 LYS 14 1HE LYS 14 7.436 -7.699 -5.306 93 HE3 LYS 14 2HE LYS 14 5.733 -8.074 -5.047 94 HZ1 LYS 14 3HZ LYS 14 6.585 -10.033 -6.731 95 HZ2 LYS 14 1HZ LYS 14 6.378 -10.188 -5.059 96 HZ3 LYS 14 2HZ LYS 14 7.904 -9.825 -5.692 97 H CYS 15 H CYS 15 4.381 -4.182 -3.996 98 HA CYS 15 HA CYS 15 5.112 -1.742 -5.355 99 HB2 CYS 15 1HB CYS 15 4.292 -1.530 -3.108 100 HB3 CYS 15 2HB CYS 15 5.477 -2.686 -2.509 101 H ASN 16 H ASN 16 6.835 -1.793 -6.650 102 HA ASN 16 HA ASN 16 9.061 -3.551 -6.168 103 HB2 ASN 16 1HB ASN 16 8.065 -2.680 -8.443 104 HB3 ASN 16 2HB ASN 16 9.159 -1.328 -8.170 105 HD21 ASN 16 1HD2 ASN 16 9.429 -2.969 -10.349 106 HD22 ASN 16 2HD2 ASN 16 10.878 -3.897 -10.196 107 H GLU 17 H GLU 17 8.769 -1.915 -3.982 108 HA GLU 17 HA GLU 17 11.225 -0.312 -4.135 109 HB2 GLU 17 1HB GLU 17 8.843 0.583 -2.524 110 HB3 GLU 17 2HB GLU 17 10.284 1.501 -2.940 111 HG2 GLU 17 1HG GLU 17 9.406 1.049 -5.398 112 HG3 GLU 17 2HG GLU 17 7.865 0.927 -4.550 113 H CYS 18 H CYS 18 8.812 -1.742 -1.947 114 HA CYS 18 HA CYS 18 11.024 -2.582 -0.200 115 HB2 CYS 18 1HB CYS 18 9.687 -2.090 1.774 116 HB3 CYS 18 2HB CYS 18 9.878 -0.634 0.802 117 H LYS 19 H LYS 19 8.616 -3.554 -2.163 118 HA LYS 19 HA LYS 19 7.552 -5.533 -2.520 119 HB2 LYS 19 1HB LYS 19 9.279 -6.635 -0.301 120 HB3 LYS 19 2HB LYS 19 8.490 -7.543 -1.583 121 HG2 LYS 19 1HG LYS 19 10.682 -5.522 -2.000 122 HG3 LYS 19 2HG LYS 19 10.907 -7.272 -1.944 123 HD2 LYS 19 1HD LYS 19 9.178 -7.368 -3.830 124 HD3 LYS 19 2HD LYS 19 9.447 -5.631 -3.995 125 HE2 LYS 19 1HE LYS 19 10.922 -6.570 -5.537 126 HE3 LYS 19 2HE LYS 19 11.939 -6.236 -4.136 127 HZ1 LYS 19 3HZ LYS 19 12.476 -8.396 -4.864 128 HZ2 LYS 19 1HZ LYS 19 10.853 -8.852 -5.002 129 HZ3 LYS 19 2HZ LYS 19 11.534 -8.607 -3.474 130 H LYS 20 H LYS 20 6.047 -3.871 -1.139 131 HA LYS 20 HA LYS 20 4.839 -5.539 0.968 132 HB2 LYS 20 1HB LYS 20 5.861 -3.567 1.973 133 HB3 LYS 20 2HB LYS 20 4.996 -2.521 0.853 134 HG2 LYS 20 1HG LYS 20 2.978 -2.817 1.922 135 HG3 LYS 20 2HG LYS 20 3.465 -4.352 2.644 136 HD2 LYS 20 1HD LYS 20 4.956 -1.898 3.422 137 HD3 LYS 20 2HD LYS 20 3.328 -2.121 4.066 138 HE2 LYS 20 1HE LYS 20 4.771 -3.083 5.657 139 HE3 LYS 20 2HE LYS 20 4.082 -4.440 4.768 140 HZ1 LYS 20 3HZ LYS 20 6.059 -4.909 3.767 141 HZ2 LYS 20 1HZ LYS 20 6.640 -4.282 5.227 142 HZ3 LYS 20 2HZ LYS 20 6.623 -3.316 3.840 143 H THR 21 H THR 21 2.527 -5.351 1.196 144 HA THR 21 HA THR 21 1.151 -4.277 -1.170 145 HB THR 21 HB THR 21 -0.372 -6.283 -1.093 146 HG1 THR 21 HG1 THR 21 -0.054 -7.646 0.484 147 HG21 THR 21 3HG2 THR 21 1.976 -7.711 -1.771 148 HG22 THR 21 1HG2 THR 21 2.245 -6.024 -2.207 149 HG23 THR 21 2HG2 THR 21 0.850 -6.890 -2.852 150 H PHE 22 H PHE 22 -1.262 -4.183 -0.820 151 HA PHE 22 HA PHE 22 -2.028 -3.874 1.983 152 HB2 PHE 22 1HB PHE 22 -2.373 -1.685 -0.078 153 HB3 PHE 22 2HB PHE 22 -2.989 -1.649 1.570 154 HD1 PHE 22 HD1 PHE 22 0.189 -1.989 -0.335 155 HD2 PHE 22 HD2 PHE 22 -1.719 -0.687 3.240 156 HE1 PHE 22 HE1 PHE 22 2.305 -0.990 0.427 157 HE2 PHE 22 HE2 PHE 22 0.393 0.315 4.007 158 HZ PHE 22 HZ PHE 22 2.409 0.165 2.600 159 H THR 23 H THR 23 -4.033 -4.582 2.371 160 HA THR 23 HA THR 23 -5.531 -6.149 0.829 161 HB THR 23 HB THR 23 -6.716 -4.046 2.652 162 HG1 THR 23 HG1 THR 23 -6.394 -5.515 4.261 163 HG21 THR 23 3HG2 THR 23 -8.555 -4.894 1.521 164 HG22 THR 23 1HG2 THR 23 -8.450 -5.972 2.913 165 HG23 THR 23 2HG2 THR 23 -7.837 -6.495 1.344 166 H GLN 24 H GLN 24 -5.510 -2.637 0.632 167 HA GLN 24 HA GLN 24 -7.159 -2.834 -1.801 168 HB2 GLN 24 1HB GLN 24 -7.273 -0.903 0.472 169 HB3 GLN 24 2HB GLN 24 -7.668 -0.325 -1.141 170 HG2 GLN 24 1HG GLN 24 -9.582 -1.549 -1.268 171 HG3 GLN 24 2HG GLN 24 -8.974 -2.816 -0.203 172 HE21 GLN 24 1HE2 GLN 24 -10.204 -2.936 1.525 173 HE22 GLN 24 2HE2 GLN 24 -10.813 -1.603 2.439 174 H SER 25 H SER 25 -6.777 -1.089 -3.379 175 HA SER 25 HA SER 25 -3.986 -0.799 -3.883 176 HB2 SER 25 1HB SER 25 -5.333 -1.023 -5.808 177 HB3 SER 25 2HB SER 25 -6.468 0.211 -5.262 178 HG SER 25 HG SER 25 -5.306 1.456 -6.501 179 H SER 26 H SER 26 -6.573 1.499 -3.066 180 HA SER 26 HA SER 26 -5.201 3.867 -3.131 181 HB2 SER 26 1HB SER 26 -7.579 3.791 -2.650 182 HB3 SER 26 2HB SER 26 -7.276 2.984 -1.111 183 HG SER 26 HG SER 26 -6.547 5.625 -1.846 184 H SER 27 H SER 27 -5.278 1.512 -0.484 185 HA SER 27 HA SER 27 -3.781 2.961 1.378 186 HB2 SER 27 1HB SER 27 -4.224 0.018 0.941 187 HB3 SER 27 2HB SER 27 -3.148 0.589 2.216 188 HG SER 27 HG SER 27 -5.311 0.286 2.942 189 H LEU 28 H LEU 28 -2.782 0.950 -1.323 190 HA LEU 28 HA LEU 28 -0.005 0.954 -0.631 191 HB2 LEU 28 1HB LEU 28 -0.676 -0.860 -1.933 192 HB3 LEU 28 2HB LEU 28 -1.575 0.161 -3.055 193 HG LEU 28 HG LEU 28 0.582 1.024 -3.924 194 HD11 LEU 28 1HD1 LEU 28 2.458 0.697 -2.795 195 HD12 LEU 28 2HD1 LEU 28 2.309 -1.040 -3.056 196 HD13 LEU 28 3HD1 LEU 28 1.600 -0.301 -1.621 197 HD21 LEU 28 3HD2 LEU 28 1.281 -1.243 -4.939 198 HD22 LEU 28 1HD2 LEU 28 -0.344 -0.637 -5.257 199 HD23 LEU 28 2HD2 LEU 28 -0.093 -1.892 -4.044 200 H THR 29 H THR 29 -1.997 2.720 -2.978 201 HA THR 29 HA THR 29 -0.114 4.158 -4.336 202 HB THR 29 HB THR 29 -2.771 5.194 -3.331 203 HG1 THR 29 HG1 THR 29 -2.923 3.333 -4.667 204 HG21 THR 29 3HG2 THR 29 -0.842 6.768 -4.322 205 HG22 THR 29 1HG2 THR 29 -2.554 7.041 -4.638 206 HG23 THR 29 2HG2 THR 29 -1.558 6.210 -5.833 207 H VAL 30 H VAL 30 -1.743 5.330 -1.381 208 HA VAL 30 HA VAL 30 -0.157 7.593 -1.007 209 HB VAL 30 HB VAL 30 -2.304 7.105 0.185 210 HG11 VAL 30 1HG1 VAL 30 -0.773 5.634 2.269 211 HG12 VAL 30 2HG1 VAL 30 -2.492 5.576 1.876 212 HG13 VAL 30 3HG1 VAL 30 -1.322 4.749 0.847 213 HG21 VAL 30 3HG2 VAL 30 -1.128 8.977 0.963 214 HG22 VAL 30 1HG2 VAL 30 -1.466 8.036 2.416 215 HG23 VAL 30 2HG2 VAL 30 0.140 7.990 1.690 216 H HIS 31 H HIS 31 0.388 4.251 -0.130 217 HA HIS 31 HA HIS 31 2.565 4.738 1.644 218 HB2 HIS 31 1HB HIS 31 1.690 2.650 2.030 219 HB3 HIS 31 2HB HIS 31 1.369 2.350 0.325 220 HD1 HIS 31 HD1 HIS 31 4.164 2.242 2.848 221 HD2 HIS 31 HD2 HIS 31 3.349 0.987 -1.028 222 HE1 HIS 31 HE1 HIS 31 6.069 0.726 2.217 223 H GLN 32 H GLN 32 2.239 4.539 -1.787 224 HA GLN 32 HA GLN 32 4.952 3.914 -2.389 225 HB2 GLN 32 1HB GLN 32 2.756 3.832 -3.868 226 HB3 GLN 32 2HB GLN 32 3.258 5.462 -4.297 227 HG2 GLN 32 1HG GLN 32 4.246 4.220 -5.950 228 HG3 GLN 32 2HG GLN 32 5.553 4.349 -4.774 229 HE21 GLN 32 1HE2 GLN 32 2.714 2.264 -5.237 230 HE22 GLN 32 2HE2 GLN 32 3.567 0.774 -5.045 231 H ARG 33 H ARG 33 3.158 6.887 -1.882 232 HA ARG 33 HA ARG 33 4.935 8.746 -2.915 233 HB2 ARG 33 1HB ARG 33 3.155 8.954 -0.481 234 HB3 ARG 33 2HB ARG 33 3.973 10.320 -1.228 235 HG2 ARG 33 1HG ARG 33 2.617 10.291 -3.087 236 HG3 ARG 33 2HG ARG 33 2.194 8.590 -2.881 237 HD2 ARG 33 1HD ARG 33 0.951 9.257 -0.803 238 HD3 ARG 33 2HD ARG 33 1.225 10.937 -1.262 239 HE ARG 33 HE ARG 33 -0.623 9.075 -2.475 240 HH11 ARG 33 1HH1 ARG 33 1.115 12.074 -2.795 241 HH12 ARG 33 2HH1 ARG 33 0.029 12.728 -3.977 242 HH21 ARG 33 1HH2 ARG 33 -2.060 9.924 -4.030 243 HH22 ARG 33 2HH2 ARG 33 -1.777 11.504 -4.678 244 H ILE 34 H ILE 34 4.945 7.140 0.231 245 HA ILE 34 HA ILE 34 6.882 8.565 1.562 246 HB ILE 34 HB ILE 34 6.255 5.625 1.589 247 HG12 ILE 34 1HG1 ILE 34 5.698 6.499 4.050 248 HG13 ILE 34 2HG1 ILE 34 5.545 8.031 3.196 249 HG21 ILE 34 1HG2 ILE 34 8.619 5.838 2.125 250 HG22 ILE 34 2HG2 ILE 34 8.247 7.063 3.337 251 HG23 ILE 34 3HG2 ILE 34 7.693 5.404 3.562 252 HD11 ILE 34 3HD1 ILE 34 3.721 5.820 3.334 253 HD12 ILE 34 1HD1 ILE 34 3.471 7.448 2.703 254 HD13 ILE 34 2HD1 ILE 34 4.130 6.188 1.659 255 H HIS 35 H HIS 35 7.351 5.930 -0.767 256 HA HIS 35 HA HIS 35 10.185 5.913 -0.577 257 HB2 HIS 35 1HB HIS 35 8.503 4.968 -2.904 258 HB3 HIS 35 2HB HIS 35 10.139 4.458 -2.500 259 HD1 HIS 35 HD1 HIS 35 9.891 3.730 0.415 260 HD2 HIS 35 HD2 HIS 35 6.989 2.783 -2.404 261 HE1 HIS 35 HE1 HIS 35 8.625 1.785 1.381 262 H THR 36 H THR 36 7.884 7.661 -2.557 263 HA THR 36 HA THR 36 9.934 8.756 -4.280 264 HB THR 36 HB THR 36 8.205 9.850 -5.468 265 HG1 THR 36 HG1 THR 36 6.798 9.593 -3.045 266 HG21 THR 36 3HG2 THR 36 6.333 7.800 -5.065 267 HG22 THR 36 1HG2 THR 36 7.909 7.082 -4.735 268 HG23 THR 36 2HG2 THR 36 7.604 7.865 -6.285 269 H GLY 37 H GLY 37 10.435 9.315 -1.583 270 HA2 GLY 37 1HA GLY 37 10.819 12.123 -1.691 271 HA3 GLY 37 2HA GLY 37 9.492 11.739 -0.604 272 H GLU 38 H GLU 38 10.629 9.228 0.294 273 HA GLU 38 HA GLU 38 11.811 9.832 2.616 274 HB2 GLU 38 1HB GLU 38 12.703 7.642 2.725 275 HB3 GLU 38 2HB GLU 38 11.267 7.525 1.717 276 HG2 GLU 38 1HG GLU 38 12.571 7.392 -0.266 277 HG3 GLU 38 2HG GLU 38 14.048 7.791 0.609 278 H LYS 39 H LYS 39 13.722 10.526 3.405 279 HA LYS 39 HA LYS 39 15.646 11.579 1.517 280 HB2 LYS 39 1HB LYS 39 16.694 12.605 3.474 281 HB3 LYS 39 2HB LYS 39 14.966 12.928 3.447 282 HG2 LYS 39 1HG LYS 39 14.903 10.768 4.970 283 HG3 LYS 39 2HG LYS 39 16.561 11.267 5.316 284 HD2 LYS 39 1HD LYS 39 15.369 12.381 6.956 285 HD3 LYS 39 2HD LYS 39 15.494 13.610 5.695 286 HE2 LYS 39 1HE LYS 39 13.263 13.186 4.962 287 HE3 LYS 39 2HE LYS 39 13.136 11.757 5.986 288 HZ1 LYS 39 3HZ LYS 39 12.824 13.003 7.847 289 HZ2 LYS 39 1HZ LYS 39 12.134 14.054 6.714 290 HZ3 LYS 39 2HZ LYS 39 13.708 14.325 7.270 291 HA PRO 40 HA PRO 40 18.507 8.242 1.719 292 HB2 PRO 40 1HB PRO 40 20.788 9.578 1.099 293 HB3 PRO 40 2HB PRO 40 19.537 9.209 -0.094 294 HG2 PRO 40 1HG PRO 40 20.046 11.759 1.389 295 HG3 PRO 40 2HG PRO 40 19.643 11.520 -0.321 296 HD2 PRO 40 1HD PRO 40 17.803 12.275 1.517 297 HD3 PRO 40 2HD PRO 40 17.394 11.268 0.114 298 H SER 41 H SER 41 18.258 7.960 4.042 299 HA SER 41 HA SER 41 20.635 8.890 5.505 300 HB2 SER 41 1HB SER 41 18.866 10.212 6.403 301 HB3 SER 41 2HB SER 41 17.776 8.827 6.475 302 HG SER 41 HG SER 41 19.255 7.930 8.044 303 H GLY 42 H GLY 42 21.848 7.168 5.914 304 HA2 GLY 42 1HA GLY 42 20.848 4.504 5.878 305 HA3 GLY 42 2HA GLY 42 22.465 4.996 6.358 306 HA PRO 43 HA PRO 43 19.382 4.364 10.074 307 HB2 PRO 43 1HB PRO 43 18.720 1.731 10.055 308 HB3 PRO 43 2HB PRO 43 17.728 2.976 9.286 309 HG2 PRO 43 1HG PRO 43 19.709 1.101 8.051 310 HG3 PRO 43 2HG PRO 43 18.103 1.575 7.468 311 HD2 PRO 43 1HD PRO 43 20.385 2.652 6.487 312 HD3 PRO 43 2HD PRO 43 18.869 3.568 6.599 313 H SER 44 H SER 44 22.166 3.040 8.795 314 HA SER 44 HA SER 44 22.910 1.749 11.332 315 HB2 SER 44 1HB SER 44 23.827 1.365 8.500 316 HB3 SER 44 2HB SER 44 24.882 0.907 9.837 317 HG SER 44 HG SER 44 22.249 -0.036 9.350 318 H SER 45 H SER 45 24.803 2.316 12.389 319 HA SER 45 HA SER 45 25.957 4.892 11.552 320 HB2 SER 45 1HB SER 45 26.624 5.093 13.982 321 HB3 SER 45 2HB SER 45 24.886 5.119 13.684 322 HG SER 45 HG SER 45 26.460 2.982 14.669 323 H GLY 46 H GLY 46 27.550 4.035 10.194 324 HA2 GLY 46 1HA GLY 46 29.800 3.541 9.880 325 HA3 GLY 46 2HA GLY 46 29.923 3.144 11.587 Start of MODEL 13 1 H1 GLY 1 H GLY 1 0.864 -28.412 -12.573 2 HA2 GLY 1 1HA GLY 1 -0.141 -27.038 -10.430 3 HA3 GLY 1 2HA GLY 1 1.124 -28.042 -9.739 4 H SER 2 H SER 2 1.234 -25.277 -9.626 5 HA SER 2 HA SER 2 3.546 -24.747 -11.366 6 HB2 SER 2 1HB SER 2 1.651 -23.501 -12.271 7 HB3 SER 2 2HB SER 2 1.332 -22.795 -10.687 8 HG SER 2 HG SER 2 3.515 -22.337 -12.419 9 H SER 3 H SER 3 5.297 -23.957 -10.358 10 HA SER 3 HA SER 3 4.985 -23.037 -7.576 11 HB2 SER 3 1HB SER 3 6.987 -24.941 -8.763 12 HB3 SER 3 2HB SER 3 7.379 -24.016 -7.314 13 HG SER 3 HG SER 3 6.465 -25.781 -6.489 14 H GLY 4 H GLY 4 5.768 -21.074 -7.172 15 HA2 GLY 4 1HA GLY 4 8.168 -20.011 -8.096 16 HA3 GLY 4 2HA GLY 4 6.921 -19.487 -9.218 17 H SER 5 H SER 5 8.454 -18.892 -6.262 18 HA SER 5 HA SER 5 6.506 -17.617 -4.749 19 HB2 SER 5 1HB SER 5 8.891 -18.137 -4.064 20 HB3 SER 5 2HB SER 5 9.377 -16.692 -4.951 21 HG SER 5 HG SER 5 9.014 -16.281 -2.718 22 H SER 6 H SER 6 8.873 -16.012 -6.886 23 HA SER 6 HA SER 6 7.347 -13.571 -6.878 24 HB2 SER 6 1HB SER 6 9.104 -12.737 -8.399 25 HB3 SER 6 2HB SER 6 9.794 -13.490 -6.961 26 HG SER 6 HG SER 6 10.627 -15.023 -8.156 27 H GLY 7 H GLY 7 5.449 -13.633 -7.932 28 HA2 GLY 7 1HA GLY 7 5.499 -13.992 -10.802 29 HA3 GLY 7 2HA GLY 7 4.555 -15.200 -9.943 30 H ALA 8 H ALA 8 2.523 -14.669 -10.542 31 HA ALA 8 HA ALA 8 1.395 -12.269 -9.399 32 HB1 ALA 8 3HB ALA 8 0.406 -12.258 -12.054 33 HB2 ALA 8 1HB ALA 8 1.338 -11.013 -11.224 34 HB3 ALA 8 2HB ALA 8 2.167 -12.276 -12.134 35 H GLY 9 H GLY 9 -0.489 -12.824 -8.528 36 HA2 GLY 9 1HA GLY 9 -2.539 -14.205 -9.862 37 HA3 GLY 9 2HA GLY 9 -1.661 -15.355 -8.864 38 H LYS 10 H LYS 10 -2.063 -15.442 -6.721 39 HA LYS 10 HA LYS 10 -4.394 -14.505 -5.632 40 HB2 LYS 10 1HB LYS 10 -3.380 -14.943 -3.413 41 HB3 LYS 10 2HB LYS 10 -3.107 -16.249 -4.559 42 HG2 LYS 10 1HG LYS 10 -0.851 -15.724 -4.807 43 HG3 LYS 10 2HG LYS 10 -1.060 -14.103 -4.140 44 HD2 LYS 10 1HD LYS 10 -0.007 -15.336 -2.436 45 HD3 LYS 10 2HD LYS 10 -1.706 -15.259 -1.963 46 HE2 LYS 10 1HE LYS 10 -2.000 -17.508 -3.044 47 HE3 LYS 10 2HE LYS 10 -0.248 -17.573 -3.227 48 HZ1 LYS 10 3HZ LYS 10 -1.801 -17.486 -0.704 49 HZ2 LYS 10 1HZ LYS 10 -0.128 -17.236 -0.763 50 HZ3 LYS 10 2HZ LYS 10 -0.780 -18.719 -1.250 51 H LYS 11 H LYS 11 -1.324 -12.858 -5.888 52 HA LYS 11 HA LYS 11 -2.079 -10.696 -4.140 53 HB2 LYS 11 1HB LYS 11 0.284 -11.441 -4.469 54 HB3 LYS 11 2HB LYS 11 0.207 -10.823 -6.114 55 HG2 LYS 11 1HG LYS 11 1.243 -9.111 -4.958 56 HG3 LYS 11 2HG LYS 11 -0.443 -8.588 -5.009 57 HD2 LYS 11 1HD LYS 11 0.142 -8.216 -2.794 58 HD3 LYS 11 2HD LYS 11 -0.634 -9.800 -2.728 59 HE2 LYS 11 1HE LYS 11 1.349 -9.939 -1.425 60 HE3 LYS 11 2HE LYS 11 1.654 -10.816 -2.922 61 HZ1 LYS 11 3HZ LYS 11 2.971 -8.508 -1.874 62 HZ2 LYS 11 1HZ LYS 11 2.450 -8.264 -3.464 63 HZ3 LYS 11 2HZ LYS 11 3.466 -9.566 -3.098 64 H LEU 12 H LEU 12 -2.426 -8.520 -4.778 65 HA LEU 12 HA LEU 12 -3.364 -8.218 -7.556 66 HB2 LEU 12 1HB LEU 12 -4.809 -6.357 -6.271 67 HB3 LEU 12 2HB LEU 12 -5.370 -8.001 -6.568 68 HG LEU 12 HG LEU 12 -5.843 -7.233 -4.280 69 HD11 LEU 12 1HD1 LEU 12 -5.570 -9.304 -3.476 70 HD12 LEU 12 2HD1 LEU 12 -3.827 -9.286 -3.741 71 HD13 LEU 12 3HD1 LEU 12 -4.917 -9.665 -5.074 72 HD21 LEU 12 3HD2 LEU 12 -3.356 -6.079 -4.396 73 HD22 LEU 12 1HD2 LEU 12 -3.092 -7.470 -3.345 74 HD23 LEU 12 2HD2 LEU 12 -4.331 -6.281 -2.939 75 H PHE 13 H PHE 13 -1.521 -6.928 -4.939 76 HA PHE 13 HA PHE 13 -0.636 -4.738 -6.683 77 HB2 PHE 13 1HB PHE 13 -0.984 -4.379 -3.710 78 HB3 PHE 13 2HB PHE 13 -0.688 -3.141 -4.925 79 HD1 PHE 13 HD2 PHE 13 -2.631 -3.636 -6.970 80 HD2 PHE 13 HD1 PHE 13 -3.033 -3.997 -2.748 81 HE1 PHE 13 HE2 PHE 13 -5.053 -3.254 -7.171 82 HE2 PHE 13 HE1 PHE 13 -5.456 -3.616 -2.943 83 HZ PHE 13 HZ PHE 13 -6.469 -3.243 -5.156 84 H LYS 14 H LYS 14 1.525 -4.348 -6.687 85 HA LYS 14 HA LYS 14 3.196 -5.716 -4.702 86 HB2 LYS 14 1HB LYS 14 3.460 -7.280 -6.370 87 HB3 LYS 14 2HB LYS 14 3.202 -6.110 -7.657 88 HG2 LYS 14 1HG LYS 14 5.468 -6.785 -7.765 89 HG3 LYS 14 2HG LYS 14 5.448 -5.147 -7.107 90 HD2 LYS 14 1HD LYS 14 5.729 -6.016 -4.860 91 HD3 LYS 14 2HD LYS 14 5.650 -7.672 -5.465 92 HE2 LYS 14 1HE LYS 14 7.642 -6.787 -6.990 93 HE3 LYS 14 2HE LYS 14 7.846 -5.682 -5.632 94 HZ1 LYS 14 3HZ LYS 14 7.775 -8.644 -5.431 95 HZ2 LYS 14 1HZ LYS 14 8.021 -7.566 -4.150 96 HZ3 LYS 14 2HZ LYS 14 9.174 -7.694 -5.381 97 H CYS 15 H CYS 15 4.293 -4.144 -3.736 98 HA CYS 15 HA CYS 15 4.900 -1.670 -5.090 99 HB2 CYS 15 1HB CYS 15 4.228 -1.732 -2.702 100 HB3 CYS 15 2HB CYS 15 5.713 -2.602 -2.329 101 H ASN 16 H ASN 16 6.610 -1.425 -6.354 102 HA ASN 16 HA ASN 16 8.839 -3.266 -6.205 103 HB2 ASN 16 1HB ASN 16 8.283 -0.933 -8.051 104 HB3 ASN 16 2HB ASN 16 9.664 -2.017 -8.200 105 HD21 ASN 16 1HD2 ASN 16 9.025 -4.395 -8.246 106 HD22 ASN 16 2HD2 ASN 16 7.686 -4.798 -9.262 107 H GLU 17 H GLU 17 8.500 -1.579 -3.927 108 HA GLU 17 HA GLU 17 11.050 -0.120 -4.040 109 HB2 GLU 17 1HB GLU 17 8.721 0.870 -2.413 110 HB3 GLU 17 2HB GLU 17 10.193 1.727 -2.848 111 HG2 GLU 17 1HG GLU 17 9.261 1.319 -5.293 112 HG3 GLU 17 2HG GLU 17 7.729 1.259 -4.423 113 H CYS 18 H CYS 18 8.610 -1.686 -2.015 114 HA CYS 18 HA CYS 18 10.759 -2.454 -0.159 115 HB2 CYS 18 1HB CYS 18 9.258 -2.156 1.736 116 HB3 CYS 18 2HB CYS 18 9.410 -0.645 0.846 117 H LYS 19 H LYS 19 8.887 -3.621 -2.412 118 HA LYS 19 HA LYS 19 7.838 -5.593 -2.878 119 HB2 LYS 19 1HB LYS 19 9.939 -6.395 -0.879 120 HB3 LYS 19 2HB LYS 19 8.890 -7.587 -1.634 121 HG2 LYS 19 1HG LYS 19 10.808 -7.605 -2.946 122 HG3 LYS 19 2HG LYS 19 9.679 -6.601 -3.859 123 HD2 LYS 19 1HD LYS 19 11.521 -5.260 -3.957 124 HD3 LYS 19 2HD LYS 19 10.831 -4.677 -2.441 125 HE2 LYS 19 1HE LYS 19 12.708 -6.978 -2.332 126 HE3 LYS 19 2HE LYS 19 13.379 -5.379 -2.649 127 HZ1 LYS 19 3HZ LYS 19 11.732 -6.162 -0.305 128 HZ2 LYS 19 1HZ LYS 19 12.269 -4.590 -0.624 129 HZ3 LYS 19 2HZ LYS 19 13.388 -5.817 -0.300 130 H LYS 20 H LYS 20 6.182 -4.174 -1.377 131 HA LYS 20 HA LYS 20 5.005 -6.178 0.419 132 HB2 LYS 20 1HB LYS 20 6.173 -4.325 1.688 133 HB3 LYS 20 2HB LYS 20 4.986 -3.218 1.011 134 HG2 LYS 20 1HG LYS 20 3.192 -4.486 2.083 135 HG3 LYS 20 2HG LYS 20 4.387 -5.590 2.769 136 HD2 LYS 20 1HD LYS 20 4.137 -4.165 4.535 137 HD3 LYS 20 2HD LYS 20 5.422 -3.322 3.667 138 HE2 LYS 20 1HE LYS 20 3.925 -1.616 4.103 139 HE3 LYS 20 2HE LYS 20 3.466 -2.105 2.473 140 HZ1 LYS 20 3HZ LYS 20 2.048 -3.647 4.359 141 HZ2 LYS 20 1HZ LYS 20 1.443 -2.581 3.192 142 HZ3 LYS 20 2HZ LYS 20 1.854 -2.008 4.730 143 H THR 21 H THR 21 2.673 -5.801 0.812 144 HA THR 21 HA THR 21 1.377 -4.376 -1.415 145 HB THR 21 HB THR 21 1.281 -6.693 -2.026 146 HG1 THR 21 HG1 THR 21 -1.207 -5.946 -0.847 147 HG21 THR 21 3HG2 THR 21 -0.244 -7.982 -0.094 148 HG22 THR 21 1HG2 THR 21 0.956 -7.079 0.830 149 HG23 THR 21 2HG2 THR 21 1.475 -8.223 -0.409 150 H PHE 22 H PHE 22 -0.981 -4.004 -1.009 151 HA PHE 22 HA PHE 22 -1.560 -3.681 1.857 152 HB2 PHE 22 1HB PHE 22 -1.925 -1.641 -0.340 153 HB3 PHE 22 2HB PHE 22 -2.700 -1.508 1.235 154 HD1 PHE 22 HD1 PHE 22 0.719 -2.220 -0.090 155 HD2 PHE 22 HD2 PHE 22 -1.678 -0.098 2.715 156 HE1 PHE 22 HE1 PHE 22 2.736 -1.129 0.803 157 HE2 PHE 22 HE2 PHE 22 0.334 0.996 3.612 158 HZ PHE 22 HZ PHE 22 2.545 0.482 2.656 159 H THR 23 H THR 23 -3.596 -4.172 2.490 160 HA THR 23 HA THR 23 -5.200 -5.925 1.255 161 HB THR 23 HB THR 23 -6.205 -3.605 2.915 162 HG1 THR 23 HG1 THR 23 -5.460 -4.707 4.562 163 HG21 THR 23 3HG2 THR 23 -7.515 -6.041 1.830 164 HG22 THR 23 1HG2 THR 23 -8.184 -4.439 2.133 165 HG23 THR 23 2HG2 THR 23 -7.925 -5.554 3.474 166 H GLN 24 H GLN 24 -5.188 -2.455 0.661 167 HA GLN 24 HA GLN 24 -6.907 -2.926 -1.680 168 HB2 GLN 24 1HB GLN 24 -7.004 -0.519 0.146 169 HB3 GLN 24 2HB GLN 24 -7.949 -0.729 -1.322 170 HG2 GLN 24 1HG GLN 24 -8.867 -2.838 -0.203 171 HG3 GLN 24 2HG GLN 24 -8.189 -2.181 1.285 172 HE21 GLN 24 1HE2 GLN 24 -10.914 -2.668 0.888 173 HE22 GLN 24 2HE2 GLN 24 -11.749 -1.156 0.912 174 H SER 25 H SER 25 -6.714 -1.155 -3.323 175 HA SER 25 HA SER 25 -3.946 -0.735 -3.916 176 HB2 SER 25 1HB SER 25 -5.863 -1.163 -5.581 177 HB3 SER 25 2HB SER 25 -6.241 0.548 -5.389 178 HG SER 25 HG SER 25 -4.023 -0.671 -6.575 179 H SER 26 H SER 26 -6.678 1.450 -3.255 180 HA SER 26 HA SER 26 -5.454 3.884 -3.439 181 HB2 SER 26 1HB SER 26 -7.515 2.953 -1.434 182 HB3 SER 26 2HB SER 26 -7.048 4.641 -1.631 183 HG SER 26 HG SER 26 -8.262 4.738 -3.335 184 H SER 27 H SER 27 -5.291 1.610 -0.746 185 HA SER 27 HA SER 27 -3.868 3.315 1.016 186 HB2 SER 27 1HB SER 27 -5.145 1.034 1.432 187 HB3 SER 27 2HB SER 27 -3.545 0.345 1.158 188 HG SER 27 HG SER 27 -2.758 1.580 2.859 189 H LEU 28 H LEU 28 -2.903 1.123 -1.532 190 HA LEU 28 HA LEU 28 -0.139 1.035 -0.859 191 HB2 LEU 28 1HB LEU 28 -0.793 -0.722 -2.202 192 HB3 LEU 28 2HB LEU 28 -1.776 0.305 -3.243 193 HG LEU 28 HG LEU 28 0.262 1.193 -4.279 194 HD11 LEU 28 1HD1 LEU 28 1.510 -0.232 -2.063 195 HD12 LEU 28 2HD1 LEU 28 2.118 1.103 -3.042 196 HD13 LEU 28 3HD1 LEU 28 2.265 -0.556 -3.623 197 HD21 LEU 28 3HD2 LEU 28 0.396 -0.516 -5.745 198 HD22 LEU 28 1HD2 LEU 28 -0.937 -1.163 -4.788 199 HD23 LEU 28 2HD2 LEU 28 0.712 -1.713 -4.488 200 H THR 29 H THR 29 -2.027 2.937 -3.186 201 HA THR 29 HA THR 29 0.015 4.320 -4.432 202 HB THR 29 HB THR 29 -2.707 5.413 -3.693 203 HG1 THR 29 HG1 THR 29 -1.792 3.661 -5.668 204 HG21 THR 29 3HG2 THR 29 -1.530 7.282 -4.398 205 HG22 THR 29 1HG2 THR 29 -2.230 6.698 -5.907 206 HG23 THR 29 2HG2 THR 29 -0.540 6.359 -5.529 207 H VAL 30 H VAL 30 -1.846 5.402 -1.585 208 HA VAL 30 HA VAL 30 -0.389 7.727 -1.081 209 HB VAL 30 HB VAL 30 -2.568 7.133 -0.017 210 HG11 VAL 30 1HG1 VAL 30 -0.817 5.150 1.353 211 HG12 VAL 30 2HG1 VAL 30 -2.167 5.856 2.244 212 HG13 VAL 30 3HG1 VAL 30 -2.463 4.972 0.746 213 HG21 VAL 30 3HG2 VAL 30 -2.191 8.641 1.610 214 HG22 VAL 30 1HG2 VAL 30 -0.867 7.706 2.307 215 HG23 VAL 30 2HG2 VAL 30 -0.578 8.734 0.903 216 H HIS 31 H HIS 31 0.412 4.422 -0.520 217 HA HIS 31 HA HIS 31 2.537 5.080 1.363 218 HB2 HIS 31 1HB HIS 31 1.637 3.088 2.061 219 HB3 HIS 31 2HB HIS 31 1.230 2.575 0.426 220 HD1 HIS 31 HD1 HIS 31 4.096 2.664 2.855 221 HD2 HIS 31 HD2 HIS 31 3.150 1.037 -0.849 222 HE1 HIS 31 HE1 HIS 31 5.942 1.033 2.345 223 H GLN 32 H GLN 32 2.093 4.770 -1.978 224 HA GLN 32 HA GLN 32 4.635 3.753 -2.722 225 HB2 GLN 32 1HB GLN 32 2.407 4.067 -4.099 226 HB3 GLN 32 2HB GLN 32 3.123 5.624 -4.495 227 HG2 GLN 32 1HG GLN 32 3.710 4.154 -6.237 228 HG3 GLN 32 2HG GLN 32 5.161 4.372 -5.261 229 HE21 GLN 32 1HE2 GLN 32 2.292 2.295 -5.014 230 HE22 GLN 32 2HE2 GLN 32 3.167 0.813 -4.870 231 H ARG 33 H ARG 33 3.408 6.963 -2.031 232 HA ARG 33 HA ARG 33 5.679 8.366 -3.037 233 HB2 ARG 33 1HB ARG 33 4.733 10.292 -1.762 234 HB3 ARG 33 2HB ARG 33 3.587 9.533 -2.859 235 HG2 ARG 33 1HG ARG 33 3.539 8.438 -0.149 236 HG3 ARG 33 2HG ARG 33 3.103 10.146 -0.252 237 HD2 ARG 33 1HD ARG 33 1.800 7.789 -1.576 238 HD3 ARG 33 2HD ARG 33 1.078 8.992 -0.508 239 HE ARG 33 HE ARG 33 1.497 9.215 -3.349 240 HH11 ARG 33 1HH1 ARG 33 0.998 10.941 -0.367 241 HH12 ARG 33 2HH1 ARG 33 0.369 12.358 -1.140 242 HH21 ARG 33 1HH2 ARG 33 0.670 11.075 -4.379 243 HH22 ARG 33 2HH2 ARG 33 0.182 12.433 -3.422 244 H ILE 34 H ILE 34 4.901 6.792 -0.050 245 HA ILE 34 HA ILE 34 6.476 8.036 1.809 246 HB ILE 34 HB ILE 34 5.856 5.130 1.393 247 HG12 ILE 34 1HG1 ILE 34 4.303 5.419 3.097 248 HG13 ILE 34 2HG1 ILE 34 5.174 6.778 3.800 249 HG21 ILE 34 1HG2 ILE 34 7.954 4.925 2.401 250 HG22 ILE 34 2HG2 ILE 34 7.700 6.336 3.427 251 HG23 ILE 34 3HG2 ILE 34 6.820 4.843 3.749 252 HD11 ILE 34 3HD1 ILE 34 3.547 6.805 1.271 253 HD12 ILE 34 1HD1 ILE 34 3.118 7.539 2.815 254 HD13 ILE 34 2HD1 ILE 34 4.482 8.166 1.889 255 H HIS 35 H HIS 35 7.503 5.784 -0.711 256 HA HIS 35 HA HIS 35 10.244 5.771 0.163 257 HB2 HIS 35 1HB HIS 35 9.239 4.871 -2.533 258 HB3 HIS 35 2HB HIS 35 10.666 4.316 -1.664 259 HD1 HIS 35 HD1 HIS 35 10.152 2.854 0.540 260 HD2 HIS 35 HD2 HIS 35 6.987 3.395 -2.095 261 HE1 HIS 35 HE1 HIS 35 8.465 1.091 1.146 262 H THR 36 H THR 36 8.304 7.560 -2.113 263 HA THR 36 HA THR 36 10.710 9.010 -3.005 264 HB THR 36 HB THR 36 9.493 7.918 -4.842 265 HG1 THR 36 HG1 THR 36 8.935 10.654 -5.166 266 HG21 THR 36 3HG2 THR 36 7.258 7.790 -4.221 267 HG22 THR 36 1HG2 THR 36 7.241 9.075 -5.428 268 HG23 THR 36 2HG2 THR 36 7.198 9.477 -3.712 269 H GLY 37 H GLY 37 9.567 9.632 -0.528 270 HA2 GLY 37 1HA GLY 37 9.082 12.429 -0.886 271 HA3 GLY 37 2HA GLY 37 7.625 11.572 -0.404 272 H GLU 38 H GLU 38 10.663 10.366 0.704 273 HA GLU 38 HA GLU 38 10.198 11.599 3.338 274 HB2 GLU 38 1HB GLU 38 10.668 8.732 2.621 275 HB3 GLU 38 2HB GLU 38 11.258 9.338 4.163 276 HG2 GLU 38 1HG GLU 38 8.801 10.245 4.372 277 HG3 GLU 38 2HG GLU 38 8.469 8.960 3.213 278 H LYS 39 H LYS 39 11.951 12.388 4.379 279 HA LYS 39 HA LYS 39 14.212 13.183 3.092 280 HB2 LYS 39 1HB LYS 39 13.930 12.450 6.011 281 HB3 LYS 39 2HB LYS 39 15.285 13.350 5.343 282 HG2 LYS 39 1HG LYS 39 13.715 15.105 4.607 283 HG3 LYS 39 2HG LYS 39 12.401 14.215 5.379 284 HD2 LYS 39 1HD LYS 39 13.364 14.513 7.538 285 HD3 LYS 39 2HD LYS 39 14.862 15.143 6.849 286 HE2 LYS 39 1HE LYS 39 12.179 16.478 6.536 287 HE3 LYS 39 2HE LYS 39 13.326 16.874 7.815 288 HZ1 LYS 39 3HZ LYS 39 13.390 18.315 5.767 289 HZ2 LYS 39 1HZ LYS 39 14.049 16.990 4.946 290 HZ3 LYS 39 2HZ LYS 39 14.874 17.667 6.258 291 HA PRO 40 HA PRO 40 16.697 9.623 2.364 292 HB2 PRO 40 1HB PRO 40 19.124 10.823 2.164 293 HB3 PRO 40 2HB PRO 40 17.889 10.938 0.905 294 HG2 PRO 40 1HG PRO 40 18.597 12.904 3.049 295 HG3 PRO 40 2HG PRO 40 18.239 13.196 1.337 296 HD2 PRO 40 1HD PRO 40 16.416 13.604 3.297 297 HD3 PRO 40 2HD PRO 40 15.960 13.078 1.663 298 H SER 41 H SER 41 18.768 8.590 3.182 299 HA SER 41 HA SER 41 18.618 8.002 5.854 300 HB2 SER 41 1HB SER 41 19.910 6.655 4.270 301 HB3 SER 41 2HB SER 41 21.099 7.948 4.118 302 HG SER 41 HG SER 41 21.908 6.538 5.604 303 H GLY 42 H GLY 42 20.609 10.487 4.302 304 HA2 GLY 42 1HA GLY 42 22.279 11.387 6.178 305 HA3 GLY 42 2HA GLY 42 21.310 12.504 5.229 306 HA PRO 43 HA PRO 43 19.495 13.969 8.944 307 HB2 PRO 43 1HB PRO 43 17.131 14.897 7.986 308 HB3 PRO 43 2HB PRO 43 18.672 15.712 7.694 309 HG2 PRO 43 1HG PRO 43 17.133 13.872 5.903 310 HG3 PRO 43 2HG PRO 43 17.964 15.387 5.503 311 HD2 PRO 43 1HD PRO 43 19.044 12.956 4.999 312 HD3 PRO 43 2HD PRO 43 20.032 14.374 5.406 313 H SER 44 H SER 44 19.253 11.892 9.959 314 HA SER 44 HA SER 44 16.673 10.561 9.598 315 HB2 SER 44 1HB SER 44 19.311 9.769 10.737 316 HB3 SER 44 2HB SER 44 17.870 8.993 11.394 317 HG SER 44 HG SER 44 17.348 8.635 9.055 318 H SER 45 H SER 45 18.673 11.962 12.179 319 HA SER 45 HA SER 45 17.117 11.575 14.377 320 HB2 SER 45 1HB SER 45 18.458 14.209 13.727 321 HB3 SER 45 2HB SER 45 18.092 13.573 15.330 322 HG SER 45 HG SER 45 19.826 12.385 15.244 323 H GLY 46 H GLY 46 16.841 14.422 12.236 324 HA2 GLY 46 1HA GLY 46 15.112 15.917 11.954 325 HA3 GLY 46 2HA GLY 46 14.125 14.464 11.902 Start of MODEL 14 1 H1 GLY 1 H GLY 1 8.277 -24.598 -15.793 2 HA2 GLY 1 1HA GLY 1 8.806 -22.851 -17.740 3 HA3 GLY 1 2HA GLY 1 8.549 -24.315 -18.677 4 H SER 2 H SER 2 6.734 -23.434 -19.707 5 HA SER 2 HA SER 2 4.538 -22.894 -19.998 6 HB2 SER 2 1HB SER 2 4.281 -25.230 -19.275 7 HB3 SER 2 2HB SER 2 4.221 -24.707 -17.592 8 HG SER 2 HG SER 2 2.151 -24.611 -17.965 9 H SER 3 H SER 3 5.953 -20.958 -18.606 10 HA SER 3 HA SER 3 4.766 -20.134 -16.192 11 HB2 SER 3 1HB SER 3 6.948 -19.298 -17.119 12 HB3 SER 3 2HB SER 3 6.026 -18.339 -18.276 13 HG SER 3 HG SER 3 5.735 -16.922 -16.767 14 H GLY 4 H GLY 4 2.514 -20.332 -16.425 15 HA2 GLY 4 1HA GLY 4 1.300 -18.119 -17.951 16 HA3 GLY 4 2HA GLY 4 0.621 -19.737 -18.029 17 H SER 5 H SER 5 -0.079 -16.902 -16.834 18 HA SER 5 HA SER 5 -0.966 -17.897 -14.209 19 HB2 SER 5 1HB SER 5 -0.252 -15.162 -15.214 20 HB3 SER 5 2HB SER 5 -1.363 -15.330 -13.855 21 HG SER 5 HG SER 5 1.272 -16.374 -14.018 22 H SER 6 H SER 6 -2.819 -18.952 -14.976 23 HA SER 6 HA SER 6 -4.862 -17.271 -16.246 24 HB2 SER 6 1HB SER 6 -6.032 -19.425 -16.693 25 HB3 SER 6 2HB SER 6 -4.421 -19.356 -17.409 26 HG SER 6 HG SER 6 -3.748 -20.869 -16.077 27 H GLY 7 H GLY 7 -5.570 -16.115 -14.444 28 HA2 GLY 7 1HA GLY 7 -6.988 -15.723 -12.678 29 HA3 GLY 7 2HA GLY 7 -7.622 -17.343 -12.926 30 H ALA 8 H ALA 8 -7.679 -16.887 -10.450 31 HA ALA 8 HA ALA 8 -6.999 -17.615 -8.401 32 HB1 ALA 8 3HB ALA 8 -6.082 -19.641 -8.433 33 HB2 ALA 8 1HB ALA 8 -5.941 -19.465 -10.182 34 HB3 ALA 8 2HB ALA 8 -4.587 -19.028 -9.139 35 H GLY 9 H GLY 9 -6.147 -15.092 -9.311 36 HA2 GLY 9 1HA GLY 9 -3.351 -14.735 -8.753 37 HA3 GLY 9 2HA GLY 9 -4.539 -13.462 -8.995 38 H LYS 10 H LYS 10 -2.520 -14.887 -6.784 39 HA LYS 10 HA LYS 10 -4.073 -14.654 -4.410 40 HB2 LYS 10 1HB LYS 10 -1.885 -14.842 -3.248 41 HB3 LYS 10 2HB LYS 10 -2.147 -16.109 -4.439 42 HG2 LYS 10 1HG LYS 10 -0.835 -14.472 -6.010 43 HG3 LYS 10 2HG LYS 10 -0.235 -13.829 -4.480 44 HD2 LYS 10 1HD LYS 10 0.690 -15.927 -3.862 45 HD3 LYS 10 2HD LYS 10 -0.151 -16.759 -5.173 46 HE2 LYS 10 1HE LYS 10 1.730 -14.552 -5.851 47 HE3 LYS 10 2HE LYS 10 2.398 -16.110 -5.366 48 HZ1 LYS 10 3HZ LYS 10 0.430 -15.733 -7.558 49 HZ2 LYS 10 1HZ LYS 10 1.206 -17.176 -7.135 50 HZ3 LYS 10 2HZ LYS 10 2.099 -15.894 -7.783 51 H LYS 11 H LYS 11 -1.550 -12.603 -5.859 52 HA LYS 11 HA LYS 11 -2.387 -10.422 -4.072 53 HB2 LYS 11 1HB LYS 11 0.094 -11.313 -4.369 54 HB3 LYS 11 2HB LYS 11 0.068 -10.236 -5.759 55 HG2 LYS 11 1HG LYS 11 0.992 -9.077 -3.873 56 HG3 LYS 11 2HG LYS 11 -0.581 -8.379 -4.266 57 HD2 LYS 11 1HD LYS 11 -0.196 -8.711 -1.825 58 HD3 LYS 11 2HD LYS 11 -1.623 -9.543 -2.447 59 HE2 LYS 11 1HE LYS 11 -0.260 -10.913 -0.883 60 HE3 LYS 11 2HE LYS 11 -0.461 -11.640 -2.476 61 HZ1 LYS 11 3HZ LYS 11 1.759 -10.657 -3.037 62 HZ2 LYS 11 1HZ LYS 11 1.793 -11.897 -1.886 63 HZ3 LYS 11 2HZ LYS 11 1.942 -10.285 -1.396 64 H LEU 12 H LEU 12 -2.448 -8.240 -4.990 65 HA LEU 12 HA LEU 12 -3.085 -8.203 -7.861 66 HB2 LEU 12 1HB LEU 12 -4.766 -6.318 -6.921 67 HB3 LEU 12 2HB LEU 12 -5.225 -7.991 -7.230 68 HG LEU 12 HG LEU 12 -6.089 -7.166 -5.088 69 HD11 LEU 12 1HD1 LEU 12 -4.732 -9.561 -5.576 70 HD12 LEU 12 2HD1 LEU 12 -5.938 -9.245 -4.329 71 HD13 LEU 12 3HD1 LEU 12 -4.224 -9.044 -3.968 72 HD21 LEU 12 3HD2 LEU 12 -3.463 -7.207 -3.774 73 HD22 LEU 12 1HD2 LEU 12 -4.850 -6.147 -3.516 74 HD23 LEU 12 2HD2 LEU 12 -3.737 -5.835 -4.849 75 H PHE 13 H PHE 13 -1.892 -6.544 -5.034 76 HA PHE 13 HA PHE 13 -0.673 -4.534 -6.795 77 HB2 PHE 13 1HB PHE 13 -1.663 -3.786 -4.057 78 HB3 PHE 13 2HB PHE 13 -1.253 -2.733 -5.407 79 HD1 PHE 13 HD2 PHE 13 -2.748 -3.732 -7.624 80 HD2 PHE 13 HD1 PHE 13 -3.877 -3.513 -3.526 81 HE1 PHE 13 HE2 PHE 13 -5.117 -3.657 -8.285 82 HE2 PHE 13 HE1 PHE 13 -6.248 -3.439 -4.180 83 HZ PHE 13 HZ PHE 13 -6.870 -3.509 -6.562 84 H LYS 14 H LYS 14 1.446 -4.270 -6.480 85 HA LYS 14 HA LYS 14 2.620 -5.058 -3.910 86 HB2 LYS 14 1HB LYS 14 2.748 -6.799 -5.918 87 HB3 LYS 14 2HB LYS 14 4.101 -5.781 -6.393 88 HG2 LYS 14 1HG LYS 14 4.767 -6.123 -3.852 89 HG3 LYS 14 2HG LYS 14 3.809 -7.590 -4.065 90 HD2 LYS 14 1HD LYS 14 6.028 -8.196 -4.591 91 HD3 LYS 14 2HD LYS 14 5.203 -8.024 -6.142 92 HE2 LYS 14 1HE LYS 14 6.622 -5.670 -4.988 93 HE3 LYS 14 2HE LYS 14 7.571 -6.954 -5.735 94 HZ1 LYS 14 3HZ LYS 14 7.180 -5.780 -7.591 95 HZ2 LYS 14 1HZ LYS 14 5.820 -4.998 -6.958 96 HZ3 LYS 14 2HZ LYS 14 5.682 -6.565 -7.579 97 H CYS 15 H CYS 15 4.472 -3.943 -3.322 98 HA CYS 15 HA CYS 15 4.894 -1.447 -4.756 99 HB2 CYS 15 1HB CYS 15 4.674 -1.854 -2.145 100 HB3 CYS 15 2HB CYS 15 6.405 -2.143 -2.277 101 H ASN 16 H ASN 16 6.529 -1.108 -6.103 102 HA ASN 16 HA ASN 16 8.551 -3.147 -6.452 103 HB2 ASN 16 1HB ASN 16 8.224 -0.521 -7.919 104 HB3 ASN 16 2HB ASN 16 9.216 -1.887 -8.420 105 HD21 ASN 16 1HD2 ASN 16 8.350 -3.010 -9.990 106 HD22 ASN 16 2HD2 ASN 16 6.663 -3.283 -10.246 107 H GLU 17 H GLU 17 8.553 -1.553 -3.988 108 HA GLU 17 HA GLU 17 11.306 -0.551 -4.183 109 HB2 GLU 17 1HB GLU 17 9.153 0.819 -2.568 110 HB3 GLU 17 2HB GLU 17 10.809 1.358 -2.804 111 HG2 GLU 17 1HG GLU 17 9.121 0.991 -5.212 112 HG3 GLU 17 2HG GLU 17 8.785 2.370 -4.168 113 H CYS 18 H CYS 18 8.686 -1.680 -2.095 114 HA CYS 18 HA CYS 18 10.720 -2.826 -0.301 115 HB2 CYS 18 1HB CYS 18 9.331 -2.332 1.623 116 HB3 CYS 18 2HB CYS 18 9.642 -0.844 0.735 117 H LYS 19 H LYS 19 8.947 -3.812 -2.580 118 HA LYS 19 HA LYS 19 7.490 -5.535 -3.045 119 HB2 LYS 19 1HB LYS 19 9.156 -6.988 -0.995 120 HB3 LYS 19 2HB LYS 19 8.403 -7.648 -2.441 121 HG2 LYS 19 1HG LYS 19 10.675 -5.671 -2.407 122 HG3 LYS 19 2HG LYS 19 10.825 -7.408 -2.682 123 HD2 LYS 19 1HD LYS 19 9.238 -7.107 -4.627 124 HD3 LYS 19 2HD LYS 19 9.446 -5.367 -4.415 125 HE2 LYS 19 1HE LYS 19 11.788 -7.218 -4.747 126 HE3 LYS 19 2HE LYS 19 10.932 -6.547 -6.134 127 HZ1 LYS 19 3HZ LYS 19 12.655 -5.061 -5.765 128 HZ2 LYS 19 1HZ LYS 19 12.506 -5.128 -4.081 129 HZ3 LYS 19 2HZ LYS 19 11.345 -4.310 -5.000 130 H LYS 20 H LYS 20 6.226 -3.902 -1.266 131 HA LYS 20 HA LYS 20 5.014 -5.748 0.683 132 HB2 LYS 20 1HB LYS 20 6.087 -3.670 1.588 133 HB3 LYS 20 2HB LYS 20 4.901 -2.728 0.693 134 HG2 LYS 20 1HG LYS 20 3.101 -3.779 1.969 135 HG3 LYS 20 2HG LYS 20 4.294 -4.720 2.869 136 HD2 LYS 20 1HD LYS 20 4.405 -1.721 2.783 137 HD3 LYS 20 2HD LYS 20 3.383 -2.570 3.945 138 HE2 LYS 20 1HE LYS 20 5.375 -3.795 4.743 139 HE3 LYS 20 2HE LYS 20 6.370 -2.854 3.632 140 HZ1 LYS 20 3HZ LYS 20 6.257 -2.055 6.010 141 HZ2 LYS 20 1HZ LYS 20 4.667 -1.576 5.687 142 HZ3 LYS 20 2HZ LYS 20 5.948 -0.895 4.818 143 H THR 21 H THR 21 2.726 -5.723 0.939 144 HA THR 21 HA THR 21 1.262 -4.648 -1.382 145 HB THR 21 HB THR 21 -0.206 -6.610 -1.332 146 HG1 THR 21 HG1 THR 21 1.226 -7.120 0.972 147 HG21 THR 21 3HG2 THR 21 1.220 -7.353 -2.879 148 HG22 THR 21 1HG2 THR 21 2.033 -8.261 -1.605 149 HG23 THR 21 2HG2 THR 21 2.595 -6.645 -2.031 150 H PHE 22 H PHE 22 -1.170 -4.619 -0.940 151 HA PHE 22 HA PHE 22 -1.862 -4.182 1.852 152 HB2 PHE 22 1HB PHE 22 -2.163 -2.010 -0.234 153 HB3 PHE 22 2HB PHE 22 -2.783 -1.938 1.412 154 HD1 PHE 22 HD1 PHE 22 0.321 -2.135 -0.591 155 HD2 PHE 22 HD2 PHE 22 -1.423 -1.234 3.186 156 HE1 PHE 22 HE1 PHE 22 2.459 -1.180 0.165 157 HE2 PHE 22 HE2 PHE 22 0.712 -0.278 3.948 158 HZ PHE 22 HZ PHE 22 2.657 -0.249 2.436 159 H THR 23 H THR 23 -3.986 -4.557 2.295 160 HA THR 23 HA THR 23 -5.540 -6.222 0.899 161 HB THR 23 HB THR 23 -6.669 -3.852 2.401 162 HG1 THR 23 HG1 THR 23 -5.833 -4.804 4.086 163 HG21 THR 23 3HG2 THR 23 -7.907 -6.575 2.155 164 HG22 THR 23 1HG2 THR 23 -8.200 -5.328 0.944 165 HG23 THR 23 2HG2 THR 23 -8.663 -5.053 2.624 166 H GLN 24 H GLN 24 -5.371 -2.739 0.357 167 HA GLN 24 HA GLN 24 -6.789 -3.146 -2.187 168 HB2 GLN 24 1HB GLN 24 -7.148 -0.824 -0.286 169 HB3 GLN 24 2HB GLN 24 -7.842 -0.922 -1.898 170 HG2 GLN 24 1HG GLN 24 -8.407 -3.082 0.075 171 HG3 GLN 24 2HG GLN 24 -9.260 -1.544 0.193 172 HE21 GLN 24 1HE2 GLN 24 -8.961 -4.510 -1.478 173 HE22 GLN 24 2HE2 GLN 24 -10.239 -4.262 -2.614 174 H SER 25 H SER 25 -6.406 -1.302 -3.730 175 HA SER 25 HA SER 25 -3.592 -0.895 -3.992 176 HB2 SER 25 1HB SER 25 -5.000 -1.222 -5.965 177 HB3 SER 25 2HB SER 25 -5.898 0.248 -5.589 178 HG SER 25 HG SER 25 -3.522 1.111 -5.646 179 H SER 26 H SER 26 -6.344 1.292 -3.445 180 HA SER 26 HA SER 26 -5.194 3.732 -3.411 181 HB2 SER 26 1HB SER 26 -7.264 2.546 -1.579 182 HB3 SER 26 2HB SER 26 -6.744 4.220 -1.387 183 HG SER 26 HG SER 26 -7.456 3.354 -3.944 184 H SER 27 H SER 27 -4.922 1.302 -0.864 185 HA SER 27 HA SER 27 -3.540 2.911 0.999 186 HB2 SER 27 1HB SER 27 -4.676 0.562 1.273 187 HB3 SER 27 2HB SER 27 -3.081 -0.048 0.830 188 HG SER 27 HG SER 27 -3.419 0.239 3.124 189 H LEU 28 H LEU 28 -2.414 0.697 -1.528 190 HA LEU 28 HA LEU 28 0.330 0.865 -0.963 191 HB2 LEU 28 1HB LEU 28 -0.359 -0.872 -2.377 192 HB3 LEU 28 2HB LEU 28 -1.227 0.228 -3.446 193 HG LEU 28 HG LEU 28 0.925 1.109 -4.254 194 HD11 LEU 28 1HD1 LEU 28 2.865 -0.619 -3.626 195 HD12 LEU 28 2HD1 LEU 28 1.949 -0.659 -2.120 196 HD13 LEU 28 3HD1 LEU 28 2.577 0.872 -2.728 197 HD21 LEU 28 3HD2 LEU 28 -0.310 -0.966 -5.189 198 HD22 LEU 28 1HD2 LEU 28 1.045 -1.869 -4.512 199 HD23 LEU 28 2HD2 LEU 28 1.334 -0.627 -5.731 200 H THR 29 H THR 29 -1.713 2.759 -3.159 201 HA THR 29 HA THR 29 0.251 4.330 -4.338 202 HB THR 29 HB THR 29 -2.560 5.187 -3.623 203 HG1 THR 29 HG1 THR 29 -3.153 3.907 -5.192 204 HG21 THR 29 3HG2 THR 29 -0.710 6.887 -4.404 205 HG22 THR 29 1HG2 THR 29 -2.339 6.962 -5.073 206 HG23 THR 29 2HG2 THR 29 -1.044 6.191 -5.989 207 H VAL 30 H VAL 30 -1.805 5.235 -1.562 208 HA VAL 30 HA VAL 30 -0.560 7.620 -0.916 209 HB VAL 30 HB VAL 30 -2.665 6.865 0.112 210 HG11 VAL 30 1HG1 VAL 30 -2.401 5.348 2.156 211 HG12 VAL 30 2HG1 VAL 30 -2.352 4.589 0.564 212 HG13 VAL 30 3HG1 VAL 30 -0.854 4.880 1.450 213 HG21 VAL 30 3HG2 VAL 30 -1.552 7.283 2.619 214 HG22 VAL 30 1HG2 VAL 30 -0.431 8.068 1.507 215 HG23 VAL 30 2HG2 VAL 30 -2.135 8.521 1.507 216 H HIS 31 H HIS 31 0.485 4.358 -0.331 217 HA HIS 31 HA HIS 31 2.579 5.207 1.508 218 HB2 HIS 31 1HB HIS 31 1.803 3.175 2.255 219 HB3 HIS 31 2HB HIS 31 1.455 2.589 0.631 220 HD1 HIS 31 HD1 HIS 31 4.380 3.125 2.968 221 HD2 HIS 31 HD2 HIS 31 3.397 1.002 -0.465 222 HE1 HIS 31 HE1 HIS 31 6.323 1.584 2.551 223 H GLN 32 H GLN 32 2.127 4.616 -1.830 224 HA GLN 32 HA GLN 32 4.809 3.903 -2.486 225 HB2 GLN 32 1HB GLN 32 2.664 3.550 -3.874 226 HB3 GLN 32 2HB GLN 32 2.881 5.219 -4.382 227 HG2 GLN 32 1HG GLN 32 3.886 3.984 -6.068 228 HG3 GLN 32 2HG GLN 32 5.238 4.511 -5.067 229 HE21 GLN 32 1HE2 GLN 32 2.895 1.854 -4.845 230 HE22 GLN 32 2HE2 GLN 32 4.074 0.600 -4.700 231 H ARG 33 H ARG 33 3.373 6.798 -1.530 232 HA ARG 33 HA ARG 33 5.218 8.510 -2.987 233 HB2 ARG 33 1HB ARG 33 3.965 10.330 -2.208 234 HB3 ARG 33 2HB ARG 33 2.767 9.070 -2.466 235 HG2 ARG 33 1HG ARG 33 2.937 8.542 -0.019 236 HG3 ARG 33 2HG ARG 33 3.924 9.996 0.149 237 HD2 ARG 33 1HD ARG 33 1.177 10.015 -1.078 238 HD3 ARG 33 2HD ARG 33 1.455 10.249 0.647 239 HE ARG 33 HE ARG 33 2.334 12.344 0.206 240 HH11 ARG 33 1HH1 ARG 33 1.727 10.621 -2.758 241 HH12 ARG 33 2HH1 ARG 33 1.928 12.018 -3.764 242 HH21 ARG 33 1HH2 ARG 33 2.601 14.190 -1.108 243 HH22 ARG 33 2HH2 ARG 33 2.426 14.047 -2.824 244 H ILE 34 H ILE 34 5.229 6.729 -0.149 245 HA ILE 34 HA ILE 34 6.660 8.477 1.571 246 HB ILE 34 HB ILE 34 6.584 5.457 1.586 247 HG12 ILE 34 1HG1 ILE 34 4.370 5.988 1.936 248 HG13 ILE 34 2HG1 ILE 34 4.971 6.092 3.587 249 HG21 ILE 34 1HG2 ILE 34 6.954 6.833 4.123 250 HG22 ILE 34 2HG2 ILE 34 7.835 5.470 3.434 251 HG23 ILE 34 3HG2 ILE 34 8.270 7.119 2.985 252 HD11 ILE 34 3HD1 ILE 34 5.304 8.573 3.125 253 HD12 ILE 34 1HD1 ILE 34 4.302 8.316 1.697 254 HD13 ILE 34 2HD1 ILE 34 3.649 7.990 3.303 255 H HIS 35 H HIS 35 7.664 5.900 -0.651 256 HA HIS 35 HA HIS 35 10.439 6.131 -0.066 257 HB2 HIS 35 1HB HIS 35 9.277 5.048 -2.629 258 HB3 HIS 35 2HB HIS 35 10.792 4.602 -1.850 259 HD1 HIS 35 HD1 HIS 35 9.942 3.888 0.935 260 HD2 HIS 35 HD2 HIS 35 7.715 2.854 -2.417 261 HE1 HIS 35 HE1 HIS 35 8.537 1.926 1.641 262 H THR 36 H THR 36 8.267 7.875 -2.091 263 HA THR 36 HA THR 36 10.330 8.980 -3.789 264 HB THR 36 HB THR 36 8.615 10.189 -4.899 265 HG1 THR 36 HG1 THR 36 6.965 9.574 -2.654 266 HG21 THR 36 3HG2 THR 36 6.891 7.901 -4.250 267 HG22 THR 36 1HG2 THR 36 8.542 7.474 -4.694 268 HG23 THR 36 2HG2 THR 36 7.548 8.421 -5.801 269 H GLY 37 H GLY 37 10.822 9.412 -1.042 270 HA2 GLY 37 1HA GLY 37 11.466 12.136 -1.023 271 HA3 GLY 37 2HA GLY 37 9.972 11.936 -0.120 272 H GLU 38 H GLU 38 10.558 9.378 0.988 273 HA GLU 38 HA GLU 38 12.276 10.233 3.151 274 HB2 GLU 38 1HB GLU 38 10.722 7.672 2.743 275 HB3 GLU 38 2HB GLU 38 11.593 8.098 4.210 276 HG2 GLU 38 1HG GLU 38 9.408 9.819 3.089 277 HG3 GLU 38 2HG GLU 38 9.090 8.485 4.196 278 H LYS 39 H LYS 39 14.172 9.232 3.819 279 HA LYS 39 HA LYS 39 16.276 8.433 3.390 280 HB2 LYS 39 1HB LYS 39 14.361 6.203 2.933 281 HB3 LYS 39 2HB LYS 39 16.034 5.937 2.461 282 HG2 LYS 39 1HG LYS 39 16.733 6.553 4.754 283 HG3 LYS 39 2HG LYS 39 15.030 6.675 5.202 284 HD2 LYS 39 1HD LYS 39 15.986 4.168 3.910 285 HD3 LYS 39 2HD LYS 39 16.401 4.455 5.601 286 HE2 LYS 39 1HE LYS 39 14.035 4.746 6.134 287 HE3 LYS 39 2HE LYS 39 13.615 4.483 4.443 288 HZ1 LYS 39 3HZ LYS 39 14.514 2.249 4.600 289 HZ2 LYS 39 1HZ LYS 39 13.305 2.481 5.761 290 HZ3 LYS 39 2HZ LYS 39 14.932 2.501 6.220 291 HA PRO 40 HA PRO 40 15.814 9.163 -1.262 292 HB2 PRO 40 1HB PRO 40 16.855 11.669 -1.308 293 HB3 PRO 40 2HB PRO 40 15.130 11.349 -1.091 294 HG2 PRO 40 1HG PRO 40 17.214 11.976 0.966 295 HG3 PRO 40 2HG PRO 40 15.557 12.592 0.828 296 HD2 PRO 40 1HD PRO 40 16.238 10.614 2.547 297 HD3 PRO 40 2HD PRO 40 14.641 10.701 1.776 298 H SER 41 H SER 41 17.470 7.569 -1.389 299 HA SER 41 HA SER 41 20.214 8.428 -0.902 300 HB2 SER 41 1HB SER 41 19.055 5.755 -1.720 301 HB3 SER 41 2HB SER 41 20.776 6.057 -1.480 302 HG SER 41 HG SER 41 19.556 5.176 0.366 303 H GLY 42 H GLY 42 21.770 7.380 -2.697 304 HA2 GLY 42 1HA GLY 42 21.350 8.964 -5.028 305 HA3 GLY 42 2HA GLY 42 22.665 7.827 -4.770 306 HA PRO 43 HA PRO 43 18.897 5.985 -7.253 307 HB2 PRO 43 1HB PRO 43 18.672 7.460 -9.521 308 HB3 PRO 43 2HB PRO 43 17.722 7.784 -8.067 309 HG2 PRO 43 1HG PRO 43 20.209 9.134 -9.044 310 HG3 PRO 43 2HG PRO 43 18.742 9.854 -8.353 311 HD2 PRO 43 1HD PRO 43 21.003 9.484 -6.909 312 HD3 PRO 43 2HD PRO 43 19.384 9.391 -6.188 313 H SER 44 H SER 44 22.083 6.729 -7.614 314 HA SER 44 HA SER 44 23.041 6.204 -10.041 315 HB2 SER 44 1HB SER 44 24.509 6.369 -8.107 316 HB3 SER 44 2HB SER 44 23.943 4.809 -7.509 317 HG SER 44 HG SER 44 25.996 5.141 -8.981 318 H SER 45 H SER 45 21.940 3.608 -7.862 319 HA SER 45 HA SER 45 22.352 1.401 -9.392 320 HB2 SER 45 1HB SER 45 20.185 2.139 -7.467 321 HB3 SER 45 2HB SER 45 20.027 0.641 -8.384 322 HG SER 45 HG SER 45 22.431 0.516 -7.559 323 H GLY 46 H GLY 46 21.232 0.256 -10.986 324 HA2 GLY 46 1HA GLY 46 18.957 1.570 -12.273 325 HA3 GLY 46 2HA GLY 46 20.408 1.343 -13.238 Start of MODEL 15 1 H1 GLY 1 H GLY 1 12.537 -28.165 -5.068 2 HA2 GLY 1 1HA GLY 1 12.444 -25.309 -5.810 3 HA3 GLY 1 2HA GLY 1 11.576 -26.584 -6.652 4 H SER 2 H SER 2 9.470 -26.494 -6.305 5 HA SER 2 HA SER 2 7.484 -25.814 -5.351 6 HB2 SER 2 1HB SER 2 8.833 -27.706 -3.470 7 HB3 SER 2 2HB SER 2 7.316 -26.959 -2.971 8 HG SER 2 HG SER 2 7.695 -28.368 -5.406 9 H SER 3 H SER 3 9.317 -23.746 -5.137 10 HA SER 3 HA SER 3 8.982 -22.736 -2.400 11 HB2 SER 3 1HB SER 3 10.832 -21.918 -4.644 12 HB3 SER 3 2HB SER 3 10.640 -20.971 -3.168 13 HG SER 3 HG SER 3 12.158 -22.260 -2.473 14 H GLY 4 H GLY 4 8.692 -21.645 -5.782 15 HA2 GLY 4 1HA GLY 4 6.227 -20.632 -5.873 16 HA3 GLY 4 2HA GLY 4 7.054 -19.389 -4.945 17 H SER 5 H SER 5 6.953 -21.056 -8.043 18 HA SER 5 HA SER 5 8.942 -19.726 -9.417 19 HB2 SER 5 1HB SER 5 6.244 -20.522 -10.536 20 HB3 SER 5 2HB SER 5 7.725 -20.266 -11.458 21 HG SER 5 HG SER 5 7.696 -22.409 -11.147 22 H SER 6 H SER 6 5.488 -18.825 -9.410 23 HA SER 6 HA SER 6 6.313 -16.016 -9.706 24 HB2 SER 6 1HB SER 6 4.465 -15.638 -11.273 25 HB3 SER 6 2HB SER 6 5.563 -16.869 -11.896 26 HG SER 6 HG SER 6 3.206 -17.483 -10.449 27 H GLY 7 H GLY 7 5.079 -14.505 -8.630 28 HA2 GLY 7 1HA GLY 7 3.237 -15.623 -6.635 29 HA3 GLY 7 2HA GLY 7 4.051 -14.069 -6.526 30 H ALA 8 H ALA 8 1.331 -15.805 -7.822 31 HA ALA 8 HA ALA 8 -0.027 -13.257 -8.276 32 HB1 ALA 8 3HB ALA 8 -0.888 -13.957 -10.442 33 HB2 ALA 8 1HB ALA 8 0.875 -13.904 -10.458 34 HB3 ALA 8 2HB ALA 8 0.040 -15.453 -10.342 35 H GLY 9 H GLY 9 -2.424 -13.673 -8.761 36 HA2 GLY 9 1HA GLY 9 -4.288 -15.214 -8.511 37 HA3 GLY 9 2HA GLY 9 -3.353 -16.051 -7.280 38 H LYS 10 H LYS 10 -3.009 -14.976 -5.236 39 HA LYS 10 HA LYS 10 -5.371 -13.574 -4.379 40 HB2 LYS 10 1HB LYS 10 -4.312 -13.675 -2.136 41 HB3 LYS 10 2HB LYS 10 -4.429 -15.247 -2.915 42 HG2 LYS 10 1HG LYS 10 -2.063 -15.050 -3.590 43 HG3 LYS 10 2HG LYS 10 -1.967 -13.528 -2.702 44 HD2 LYS 10 1HD LYS 10 -2.988 -15.922 -1.265 45 HD3 LYS 10 2HD LYS 10 -1.258 -15.837 -1.608 46 HE2 LYS 10 1HE LYS 10 -1.286 -14.771 0.405 47 HE3 LYS 10 2HE LYS 10 -1.568 -13.387 -0.649 48 HZ1 LYS 10 3HZ LYS 10 -3.474 -14.817 1.078 49 HZ2 LYS 10 1HZ LYS 10 -4.038 -13.983 -0.281 50 HZ3 LYS 10 2HZ LYS 10 -3.203 -13.154 0.934 51 H LYS 11 H LYS 11 -2.070 -12.770 -5.147 52 HA LYS 11 HA LYS 11 -2.147 -10.163 -3.939 53 HB2 LYS 11 1HB LYS 11 -0.104 -11.738 -4.577 54 HB3 LYS 11 2HB LYS 11 -0.187 -10.835 -6.084 55 HG2 LYS 11 1HG LYS 11 -0.086 -9.432 -3.440 56 HG3 LYS 11 2HG LYS 11 1.383 -9.997 -4.241 57 HD2 LYS 11 1HD LYS 11 -0.657 -8.211 -5.558 58 HD3 LYS 11 2HD LYS 11 0.766 -7.607 -4.707 59 HE2 LYS 11 1HE LYS 11 2.220 -8.804 -6.236 60 HE3 LYS 11 2HE LYS 11 0.823 -9.506 -7.051 61 HZ1 LYS 11 3HZ LYS 11 1.155 -6.579 -6.875 62 HZ2 LYS 11 1HZ LYS 11 0.249 -7.480 -7.984 63 HZ3 LYS 11 2HZ LYS 11 1.937 -7.466 -8.085 64 H LEU 12 H LEU 12 -2.600 -8.230 -4.867 65 HA LEU 12 HA LEU 12 -3.418 -8.261 -7.698 66 HB2 LEU 12 1HB LEU 12 -4.827 -6.191 -6.699 67 HB3 LEU 12 2HB LEU 12 -5.451 -7.832 -6.859 68 HG LEU 12 HG LEU 12 -6.017 -6.866 -4.693 69 HD11 LEU 12 1HD1 LEU 12 -4.805 -9.350 -5.160 70 HD12 LEU 12 2HD1 LEU 12 -5.888 -8.908 -3.840 71 HD13 LEU 12 3HD1 LEU 12 -4.142 -8.760 -3.636 72 HD21 LEU 12 3HD2 LEU 12 -3.234 -6.953 -3.717 73 HD22 LEU 12 1HD2 LEU 12 -4.558 -5.869 -3.289 74 HD23 LEU 12 2HD2 LEU 12 -3.646 -5.603 -4.775 75 H PHE 13 H PHE 13 -1.978 -6.411 -5.071 76 HA PHE 13 HA PHE 13 -0.622 -4.751 -7.076 77 HB2 PHE 13 1HB PHE 13 -1.508 -3.506 -4.500 78 HB3 PHE 13 2HB PHE 13 -1.137 -2.737 -6.039 79 HD1 PHE 13 HD2 PHE 13 -2.778 -3.941 -7.983 80 HD2 PHE 13 HD1 PHE 13 -3.686 -3.159 -3.899 81 HE1 PHE 13 HE2 PHE 13 -5.176 -3.883 -8.531 82 HE2 PHE 13 HE1 PHE 13 -6.085 -3.101 -4.440 83 HZ PHE 13 HZ PHE 13 -6.833 -3.462 -6.759 84 H LYS 14 H LYS 14 1.498 -4.404 -6.697 85 HA LYS 14 HA LYS 14 2.578 -5.102 -4.056 86 HB2 LYS 14 1HB LYS 14 2.785 -6.907 -5.962 87 HB3 LYS 14 2HB LYS 14 4.097 -5.874 -6.515 88 HG2 LYS 14 1HG LYS 14 4.043 -6.700 -3.659 89 HG3 LYS 14 2HG LYS 14 4.536 -7.876 -4.879 90 HD2 LYS 14 1HD LYS 14 5.742 -5.152 -4.946 91 HD3 LYS 14 2HD LYS 14 6.294 -6.293 -3.718 92 HE2 LYS 14 1HE LYS 14 6.201 -6.899 -6.669 93 HE3 LYS 14 2HE LYS 14 7.632 -6.302 -5.831 94 HZ1 LYS 14 3HZ LYS 14 6.577 -8.948 -5.941 95 HZ2 LYS 14 1HZ LYS 14 6.792 -8.438 -4.342 96 HZ3 LYS 14 2HZ LYS 14 8.097 -8.419 -5.418 97 H CYS 15 H CYS 15 4.459 -4.011 -3.452 98 HA CYS 15 HA CYS 15 4.938 -1.549 -4.955 99 HB2 CYS 15 1HB CYS 15 4.426 -1.423 -2.524 100 HB3 CYS 15 2HB CYS 15 5.900 -2.328 -2.194 101 H ASN 16 H ASN 16 6.534 -1.552 -6.383 102 HA ASN 16 HA ASN 16 8.678 -3.479 -6.240 103 HB2 ASN 16 1HB ASN 16 7.514 -2.634 -8.372 104 HB3 ASN 16 2HB ASN 16 8.504 -1.188 -8.189 105 HD21 ASN 16 1HD2 ASN 16 10.419 -1.199 -9.118 106 HD22 ASN 16 2HD2 ASN 16 11.282 -2.600 -9.645 107 H GLU 17 H GLU 17 8.658 -1.740 -4.030 108 HA GLU 17 HA GLU 17 11.248 -0.410 -4.415 109 HB2 GLU 17 1HB GLU 17 9.098 0.800 -2.691 110 HB3 GLU 17 2HB GLU 17 10.587 1.541 -3.258 111 HG2 GLU 17 1HG GLU 17 9.494 1.098 -5.618 112 HG3 GLU 17 2HG GLU 17 8.010 1.136 -4.668 113 H CYS 18 H CYS 18 8.881 -1.727 -2.142 114 HA CYS 18 HA CYS 18 11.113 -2.557 -0.419 115 HB2 CYS 18 1HB CYS 18 9.837 -2.013 1.577 116 HB3 CYS 18 2HB CYS 18 10.012 -0.575 0.576 117 H LYS 19 H LYS 19 9.171 -3.780 -2.462 118 HA LYS 19 HA LYS 19 7.919 -5.673 -2.732 119 HB2 LYS 19 1HB LYS 19 9.575 -6.783 -0.471 120 HB3 LYS 19 2HB LYS 19 8.907 -7.645 -1.851 121 HG2 LYS 19 1HG LYS 19 11.116 -5.600 -1.943 122 HG3 LYS 19 2HG LYS 19 11.306 -7.350 -2.079 123 HD2 LYS 19 1HD LYS 19 9.795 -7.247 -4.090 124 HD3 LYS 19 2HD LYS 19 9.918 -5.489 -4.000 125 HE2 LYS 19 1HE LYS 19 12.321 -7.292 -4.170 126 HE3 LYS 19 2HE LYS 19 11.507 -6.648 -5.595 127 HZ1 LYS 19 3HZ LYS 19 13.248 -5.172 -5.144 128 HZ2 LYS 19 1HZ LYS 19 12.941 -5.157 -3.480 129 HZ3 LYS 19 2HZ LYS 19 11.872 -4.392 -4.545 130 H LYS 20 H LYS 20 6.374 -4.021 -1.409 131 HA LYS 20 HA LYS 20 5.211 -5.633 0.767 132 HB2 LYS 20 1HB LYS 20 6.113 -3.596 1.704 133 HB3 LYS 20 2HB LYS 20 5.301 -2.626 0.483 134 HG2 LYS 20 1HG LYS 20 3.198 -2.973 1.436 135 HG3 LYS 20 2HG LYS 20 3.759 -4.348 2.389 136 HD2 LYS 20 1HD LYS 20 4.839 -1.574 2.803 137 HD3 LYS 20 2HD LYS 20 3.381 -2.142 3.621 138 HE2 LYS 20 1HE LYS 20 4.554 -3.793 4.801 139 HE3 LYS 20 2HE LYS 20 5.948 -3.694 3.727 140 HZ1 LYS 20 3HZ LYS 20 5.302 -2.115 6.047 141 HZ2 LYS 20 1HZ LYS 20 5.793 -1.192 4.716 142 HZ3 LYS 20 2HZ LYS 20 6.801 -2.408 5.321 143 H THR 21 H THR 21 2.933 -5.697 0.906 144 HA THR 21 HA THR 21 1.530 -4.820 -1.534 145 HB THR 21 HB THR 21 0.029 -6.847 -1.152 146 HG1 THR 21 HG1 THR 21 2.160 -8.135 0.084 147 HG21 THR 21 3HG2 THR 21 1.368 -8.232 -2.506 148 HG22 THR 21 1HG2 THR 21 2.864 -7.592 -1.828 149 HG23 THR 21 2HG2 THR 21 1.880 -6.590 -2.895 150 H PHE 22 H PHE 22 -0.765 -4.431 -1.284 151 HA PHE 22 HA PHE 22 -1.618 -3.920 1.479 152 HB2 PHE 22 1HB PHE 22 -1.604 -1.982 -0.823 153 HB3 PHE 22 2HB PHE 22 -2.728 -1.795 0.519 154 HD1 PHE 22 HD1 PHE 22 0.885 -2.084 -0.275 155 HD2 PHE 22 HD2 PHE 22 -2.067 -0.722 2.472 156 HE1 PHE 22 HE1 PHE 22 2.627 -0.919 1.014 157 HE2 PHE 22 HE2 PHE 22 -0.330 0.446 3.765 158 HZ PHE 22 HZ PHE 22 2.021 0.349 3.036 159 H THR 23 H THR 23 -3.595 -4.656 1.913 160 HA THR 23 HA THR 23 -5.077 -6.355 0.500 161 HB THR 23 HB THR 23 -6.315 -4.129 2.132 162 HG1 THR 23 HG1 THR 23 -5.752 -6.717 3.100 163 HG21 THR 23 3HG2 THR 23 -7.584 -6.034 0.599 164 HG22 THR 23 1HG2 THR 23 -8.287 -5.184 1.975 165 HG23 THR 23 2HG2 THR 23 -7.551 -6.771 2.201 166 H GLN 24 H GLN 24 -5.065 -2.876 0.009 167 HA GLN 24 HA GLN 24 -6.626 -3.288 -2.449 168 HB2 GLN 24 1HB GLN 24 -6.912 -1.010 -0.484 169 HB3 GLN 24 2HB GLN 24 -7.669 -1.057 -2.071 170 HG2 GLN 24 1HG GLN 24 -9.398 -1.814 -0.821 171 HG3 GLN 24 2HG GLN 24 -8.605 -3.352 -1.161 172 HE21 GLN 24 1HE2 GLN 24 -10.152 -3.511 0.887 173 HE22 GLN 24 2HE2 GLN 24 -9.306 -3.437 2.391 174 H SER 25 H SER 25 -6.459 -1.157 -3.827 175 HA SER 25 HA SER 25 -3.638 -0.786 -4.320 176 HB2 SER 25 1HB SER 25 -5.356 -1.106 -6.142 177 HB3 SER 25 2HB SER 25 -5.953 0.511 -5.771 178 HG SER 25 HG SER 25 -3.720 -0.257 -7.152 179 H SER 26 H SER 26 -6.400 1.376 -3.688 180 HA SER 26 HA SER 26 -5.196 3.805 -3.609 181 HB2 SER 26 1HB SER 26 -6.895 4.521 -2.025 182 HB3 SER 26 2HB SER 26 -7.612 3.394 -3.176 183 HG SER 26 HG SER 26 -8.248 2.429 -1.411 184 H SER 27 H SER 27 -5.173 1.391 -1.017 185 HA SER 27 HA SER 27 -3.799 2.946 0.886 186 HB2 SER 27 1HB SER 27 -3.890 -0.062 0.553 187 HB3 SER 27 2HB SER 27 -3.297 0.779 1.986 188 HG SER 27 HG SER 27 -5.281 1.068 2.602 189 H LEU 28 H LEU 28 -2.662 0.723 -1.617 190 HA LEU 28 HA LEU 28 0.046 0.678 -0.924 191 HB2 LEU 28 1HB LEU 28 -0.650 -0.909 -2.487 192 HB3 LEU 28 2HB LEU 28 -1.429 0.302 -3.504 193 HG LEU 28 HG LEU 28 0.828 1.144 -4.127 194 HD11 LEU 28 1HD1 LEU 28 2.777 0.193 -3.418 195 HD12 LEU 28 2HD1 LEU 28 2.029 -1.371 -3.096 196 HD13 LEU 28 3HD1 LEU 28 1.792 -0.032 -1.972 197 HD21 LEU 28 3HD2 LEU 28 0.872 -0.256 -5.882 198 HD22 LEU 28 1HD2 LEU 28 -0.583 -0.937 -5.152 199 HD23 LEU 28 2HD2 LEU 28 0.985 -1.693 -4.863 200 H THR 29 H THR 29 -1.673 2.790 -3.215 201 HA THR 29 HA THR 29 0.453 4.303 -4.119 202 HB THR 29 HB THR 29 -2.367 5.251 -3.574 203 HG1 THR 29 HG1 THR 29 -1.106 3.941 -5.737 204 HG21 THR 29 3HG2 THR 29 -1.632 6.790 -5.586 205 HG22 THR 29 1HG2 THR 29 -0.025 6.516 -4.916 206 HG23 THR 29 2HG2 THR 29 -1.284 7.247 -3.919 207 H VAL 30 H VAL 30 -1.765 5.265 -1.488 208 HA VAL 30 HA VAL 30 -0.465 7.506 -0.601 209 HB VAL 30 HB VAL 30 -2.635 6.708 0.283 210 HG11 VAL 30 1HG1 VAL 30 -2.275 5.139 2.375 211 HG12 VAL 30 2HG1 VAL 30 -2.512 4.475 0.757 212 HG13 VAL 30 3HG1 VAL 30 -0.887 4.595 1.433 213 HG21 VAL 30 3HG2 VAL 30 -1.662 7.044 2.845 214 HG22 VAL 30 1HG2 VAL 30 -0.451 7.832 1.834 215 HG23 VAL 30 2HG2 VAL 30 -2.140 8.329 1.736 216 H HIS 31 H HIS 31 0.480 4.189 -0.194 217 HA HIS 31 HA HIS 31 2.437 4.770 1.855 218 HB2 HIS 31 1HB HIS 31 1.717 2.620 2.176 219 HB3 HIS 31 2HB HIS 31 1.457 2.336 0.457 220 HD1 HIS 31 HD1 HIS 31 4.300 2.552 2.955 221 HD2 HIS 31 HD2 HIS 31 3.444 0.931 -0.773 222 HE1 HIS 31 HE1 HIS 31 6.286 1.123 2.371 223 H GLN 32 H GLN 32 2.415 4.026 -1.602 224 HA GLN 32 HA GLN 32 5.183 3.855 -1.985 225 HB2 GLN 32 1HB GLN 32 3.208 3.324 -3.597 226 HB3 GLN 32 2HB GLN 32 3.363 5.010 -4.071 227 HG2 GLN 32 1HG GLN 32 5.255 4.652 -5.216 228 HG3 GLN 32 2HG GLN 32 5.877 3.502 -4.034 229 HE21 GLN 32 1HE2 GLN 32 4.269 1.475 -3.972 230 HE22 GLN 32 2HE2 GLN 32 4.035 0.752 -5.523 231 H ARG 33 H ARG 33 3.087 6.590 -1.576 232 HA ARG 33 HA ARG 33 4.622 8.608 -2.739 233 HB2 ARG 33 1HB ARG 33 2.854 8.751 -0.290 234 HB3 ARG 33 2HB ARG 33 3.446 10.139 -1.192 235 HG2 ARG 33 1HG ARG 33 2.137 9.606 -3.074 236 HG3 ARG 33 2HG ARG 33 1.785 7.987 -2.465 237 HD2 ARG 33 1HD ARG 33 -0.174 9.197 -2.059 238 HD3 ARG 33 2HD ARG 33 0.652 9.170 -0.502 239 HE ARG 33 HE ARG 33 1.199 11.490 -2.136 240 HH11 ARG 33 1HH1 ARG 33 -0.805 10.084 0.339 241 HH12 ARG 33 2HH1 ARG 33 -1.315 11.612 0.977 242 HH21 ARG 33 1HH2 ARG 33 0.534 13.508 -1.306 243 HH22 ARG 33 2HH2 ARG 33 -0.554 13.559 0.040 244 H ILE 34 H ILE 34 4.941 6.973 0.338 245 HA ILE 34 HA ILE 34 6.665 8.749 1.639 246 HB ILE 34 HB ILE 34 6.316 5.771 1.850 247 HG12 ILE 34 1HG1 ILE 34 5.452 6.441 4.115 248 HG13 ILE 34 2HG1 ILE 34 5.629 8.122 3.623 249 HG21 ILE 34 1HG2 ILE 34 7.773 5.797 3.814 250 HG22 ILE 34 2HG2 ILE 34 8.652 6.248 2.354 251 HG23 ILE 34 3HG2 ILE 34 8.159 7.489 3.506 252 HD11 ILE 34 3HD1 ILE 34 3.880 6.091 2.258 253 HD12 ILE 34 1HD1 ILE 34 3.330 7.314 3.403 254 HD13 ILE 34 2HD1 ILE 34 4.015 7.802 1.853 255 H HIS 35 H HIS 35 7.318 6.176 -0.683 256 HA HIS 35 HA HIS 35 10.163 6.363 -0.462 257 HB2 HIS 35 1HB HIS 35 8.629 5.217 -2.793 258 HB3 HIS 35 2HB HIS 35 10.253 4.798 -2.256 259 HD1 HIS 35 HD1 HIS 35 9.913 4.108 0.618 260 HD2 HIS 35 HD2 HIS 35 7.092 3.068 -2.250 261 HE1 HIS 35 HE1 HIS 35 8.643 2.170 1.596 262 H THR 36 H THR 36 7.710 7.891 -2.418 263 HA THR 36 HA THR 36 9.435 8.942 -4.412 264 HB THR 36 HB THR 36 7.604 10.315 -5.104 265 HG1 THR 36 HG1 THR 36 6.445 11.210 -3.584 266 HG21 THR 36 3HG2 THR 36 6.683 8.446 -5.896 267 HG22 THR 36 1HG2 THR 36 5.706 8.365 -4.431 268 HG23 THR 36 2HG2 THR 36 7.252 7.520 -4.507 269 H GLY 37 H GLY 37 7.890 10.490 -1.587 270 HA2 GLY 37 1HA GLY 37 9.992 11.837 -0.538 271 HA3 GLY 37 2HA GLY 37 9.519 12.855 -1.890 272 H GLU 38 H GLU 38 7.973 11.117 0.816 273 HA GLU 38 HA GLU 38 6.515 13.585 1.448 274 HB2 GLU 38 1HB GLU 38 5.362 10.863 0.940 275 HB3 GLU 38 2HB GLU 38 4.558 11.969 2.044 276 HG2 GLU 38 1HG GLU 38 5.270 12.714 -0.776 277 HG3 GLU 38 2HG GLU 38 3.736 11.965 -0.336 278 H LYS 39 H LYS 39 5.727 13.690 3.643 279 HA LYS 39 HA LYS 39 7.443 13.314 5.633 280 HB2 LYS 39 1HB LYS 39 5.461 12.969 7.190 281 HB3 LYS 39 2HB LYS 39 5.405 14.390 6.155 282 HG2 LYS 39 1HG LYS 39 3.674 13.592 4.911 283 HG3 LYS 39 2HG LYS 39 4.123 11.904 5.165 284 HD2 LYS 39 1HD LYS 39 2.270 12.001 6.493 285 HD3 LYS 39 2HD LYS 39 3.490 12.495 7.669 286 HE2 LYS 39 1HE LYS 39 2.973 14.845 7.202 287 HE3 LYS 39 2HE LYS 39 1.749 14.343 6.038 288 HZ1 LYS 39 3HZ LYS 39 0.698 14.870 8.106 289 HZ2 LYS 39 1HZ LYS 39 1.726 13.834 8.962 290 HZ3 LYS 39 2HZ LYS 39 0.598 13.197 7.875 291 HA PRO 40 HA PRO 40 7.916 8.800 5.381 292 HB2 PRO 40 1HB PRO 40 10.382 8.791 6.517 293 HB3 PRO 40 2HB PRO 40 10.115 9.131 4.804 294 HG2 PRO 40 1HG PRO 40 10.558 11.039 7.067 295 HG3 PRO 40 2HG PRO 40 11.241 11.067 5.431 296 HD2 PRO 40 1HD PRO 40 9.154 12.627 6.165 297 HD3 PRO 40 2HD PRO 40 9.339 11.993 4.517 298 H SER 41 H SER 41 7.652 11.005 7.940 299 HA SER 41 HA SER 41 7.858 8.936 10.000 300 HB2 SER 41 1HB SER 41 7.658 10.812 11.600 301 HB3 SER 41 2HB SER 41 8.989 11.052 10.469 302 HG SER 41 HG SER 41 6.993 12.164 9.292 303 H GLY 42 H GLY 42 6.135 9.176 11.799 304 HA2 GLY 42 1HA GLY 42 3.507 9.181 10.461 305 HA3 GLY 42 2HA GLY 42 3.910 8.230 11.883 306 HA PRO 43 HA PRO 43 2.191 12.639 12.838 307 HB2 PRO 43 1HB PRO 43 -0.490 12.226 12.739 308 HB3 PRO 43 2HB PRO 43 0.445 12.803 11.354 309 HG2 PRO 43 1HG PRO 43 -0.512 10.035 11.971 310 HG3 PRO 43 2HG PRO 43 -0.523 10.904 10.425 311 HD2 PRO 43 1HD PRO 43 1.353 9.052 11.041 312 HD3 PRO 43 2HD PRO 43 1.701 10.458 10.015 313 H SER 44 H SER 44 0.960 13.192 14.787 314 HA SER 44 HA SER 44 1.498 11.428 16.916 315 HB2 SER 44 1HB SER 44 -0.024 14.002 16.662 316 HB3 SER 44 2HB SER 44 -0.090 13.088 18.169 317 HG SER 44 HG SER 44 2.443 13.399 17.156 318 H SER 45 H SER 45 0.503 9.504 17.005 319 HA SER 45 HA SER 45 -2.268 9.383 17.660 320 HB2 SER 45 1HB SER 45 -2.586 9.573 15.266 321 HB3 SER 45 2HB SER 45 -1.405 8.297 14.969 322 HG SER 45 HG SER 45 -3.783 7.771 14.990 323 H GLY 46 H GLY 46 -2.985 7.118 18.053 324 HA2 GLY 46 1HA GLY 46 -0.899 5.684 19.409 325 HA3 GLY 46 2HA GLY 46 -2.593 5.226 19.320 Start of MODEL 16 1 H1 GLY 1 H GLY 1 17.343 -22.304 -17.529 2 HA2 GLY 1 1HA GLY 1 15.704 -20.388 -18.953 3 HA3 GLY 1 2HA GLY 1 14.814 -21.747 -18.282 4 H SER 2 H SER 2 13.667 -20.243 -16.959 5 HA SER 2 HA SER 2 15.175 -18.817 -14.922 6 HB2 SER 2 1HB SER 2 12.360 -18.797 -15.893 7 HB3 SER 2 2HB SER 2 12.642 -18.325 -14.218 8 HG SER 2 HG SER 2 12.736 -16.566 -15.740 9 H SER 3 H SER 3 15.951 -20.152 -13.390 10 HA SER 3 HA SER 3 14.927 -22.554 -12.515 11 HB2 SER 3 1HB SER 3 16.360 -22.360 -10.617 12 HB3 SER 3 2HB SER 3 17.174 -21.519 -11.936 13 HG SER 3 HG SER 3 16.885 -19.657 -10.949 14 H GLY 4 H GLY 4 14.227 -19.302 -11.284 15 HA2 GLY 4 1HA GLY 4 12.038 -20.472 -9.683 16 HA3 GLY 4 2HA GLY 4 12.873 -18.981 -9.276 17 H SER 5 H SER 5 10.011 -19.476 -9.656 18 HA SER 5 HA SER 5 9.527 -17.621 -11.895 19 HB2 SER 5 1HB SER 5 7.275 -18.649 -12.091 20 HB3 SER 5 2HB SER 5 8.571 -19.807 -12.388 21 HG SER 5 HG SER 5 7.785 -20.941 -10.819 22 H SER 6 H SER 6 8.202 -15.880 -11.556 23 HA SER 6 HA SER 6 7.870 -15.043 -8.828 24 HB2 SER 6 1HB SER 6 7.293 -13.784 -11.500 25 HB3 SER 6 2HB SER 6 6.735 -13.033 -10.005 26 HG SER 6 HG SER 6 9.296 -13.273 -11.026 27 H GLY 7 H GLY 7 6.201 -15.558 -7.589 28 HA2 GLY 7 1HA GLY 7 3.975 -17.002 -8.316 29 HA3 GLY 7 2HA GLY 7 4.039 -15.950 -6.909 30 H ALA 8 H ALA 8 3.154 -13.885 -7.014 31 HA ALA 8 HA ALA 8 1.604 -12.336 -7.634 32 HB1 ALA 8 3HB ALA 8 1.619 -11.830 -10.173 33 HB2 ALA 8 1HB ALA 8 3.069 -11.504 -9.222 34 HB3 ALA 8 2HB ALA 8 2.976 -12.956 -10.219 35 H GLY 9 H GLY 9 0.551 -14.867 -7.194 36 HA2 GLY 9 1HA GLY 9 -1.345 -15.336 -9.381 37 HA3 GLY 9 2HA GLY 9 -1.059 -16.404 -8.015 38 H LYS 10 H LYS 10 -1.540 -15.152 -5.823 39 HA LYS 10 HA LYS 10 -4.350 -14.513 -5.956 40 HB2 LYS 10 1HB LYS 10 -4.218 -14.446 -3.498 41 HB3 LYS 10 2HB LYS 10 -3.528 -15.926 -4.151 42 HG2 LYS 10 1HG LYS 10 -1.292 -14.538 -4.016 43 HG3 LYS 10 2HG LYS 10 -2.197 -13.647 -2.790 44 HD2 LYS 10 1HD LYS 10 -2.507 -15.598 -1.476 45 HD3 LYS 10 2HD LYS 10 -1.949 -16.648 -2.781 46 HE2 LYS 10 1HE LYS 10 0.287 -15.579 -2.604 47 HE3 LYS 10 2HE LYS 10 -0.297 -14.673 -1.209 48 HZ1 LYS 10 3HZ LYS 10 0.795 -17.221 -1.230 49 HZ2 LYS 10 1HZ LYS 10 -0.845 -17.420 -0.864 50 HZ3 LYS 10 2HZ LYS 10 0.117 -16.403 0.086 51 H LYS 11 H LYS 11 -1.374 -12.834 -4.997 52 HA LYS 11 HA LYS 11 -2.499 -10.424 -4.176 53 HB2 LYS 11 1HB LYS 11 -0.039 -11.269 -4.095 54 HB3 LYS 11 2HB LYS 11 0.100 -10.509 -5.675 55 HG2 LYS 11 1HG LYS 11 0.873 -8.966 -4.033 56 HG3 LYS 11 2HG LYS 11 -0.674 -8.380 -4.650 57 HD2 LYS 11 1HD LYS 11 -0.699 -8.113 -2.279 58 HD3 LYS 11 2HD LYS 11 -1.769 -9.461 -2.670 59 HE2 LYS 11 1HE LYS 11 0.157 -10.998 -2.185 60 HE3 LYS 11 2HE LYS 11 1.038 -9.594 -1.583 61 HZ1 LYS 11 3HZ LYS 11 -1.616 -10.365 -0.524 62 HZ2 LYS 11 1HZ LYS 11 -0.481 -9.314 0.162 63 HZ3 LYS 11 2HZ LYS 11 -0.176 -10.978 0.119 64 H LEU 12 H LEU 12 -2.600 -8.361 -5.262 65 HA LEU 12 HA LEU 12 -3.117 -8.619 -8.152 66 HB2 LEU 12 1HB LEU 12 -4.585 -6.466 -7.478 67 HB3 LEU 12 2HB LEU 12 -5.214 -8.111 -7.541 68 HG LEU 12 HG LEU 12 -5.949 -6.911 -5.534 69 HD11 LEU 12 1HD1 LEU 12 -4.284 -8.761 -4.129 70 HD12 LEU 12 2HD1 LEU 12 -4.780 -9.467 -5.667 71 HD13 LEU 12 3HD1 LEU 12 -5.997 -8.885 -4.531 72 HD21 LEU 12 3HD2 LEU 12 -3.353 -7.013 -4.197 73 HD22 LEU 12 1HD2 LEU 12 -4.592 -5.757 -4.182 74 HD23 LEU 12 2HD2 LEU 12 -3.432 -5.836 -5.509 75 H PHE 13 H PHE 13 -1.667 -6.763 -5.592 76 HA PHE 13 HA PHE 13 -0.316 -5.118 -7.615 77 HB2 PHE 13 1HB PHE 13 -1.174 -3.968 -4.967 78 HB3 PHE 13 2HB PHE 13 -0.625 -3.112 -6.405 79 HD1 PHE 13 HD2 PHE 13 -2.204 -4.039 -8.554 80 HD2 PHE 13 HD1 PHE 13 -3.354 -3.461 -4.497 81 HE1 PHE 13 HE2 PHE 13 -4.540 -3.734 -9.263 82 HE2 PHE 13 HE1 PHE 13 -5.692 -3.157 -5.200 83 HZ PHE 13 HZ PHE 13 -6.288 -3.292 -7.586 84 H LYS 14 H LYS 14 1.806 -4.569 -7.163 85 HA LYS 14 HA LYS 14 2.958 -5.567 -4.657 86 HB2 LYS 14 1HB LYS 14 3.165 -7.123 -6.796 87 HB3 LYS 14 2HB LYS 14 4.483 -6.025 -7.181 88 HG2 LYS 14 1HG LYS 14 5.184 -6.546 -4.693 89 HG3 LYS 14 2HG LYS 14 4.240 -8.009 -4.985 90 HD2 LYS 14 1HD LYS 14 6.431 -8.583 -5.595 91 HD3 LYS 14 2HD LYS 14 5.616 -8.255 -7.126 92 HE2 LYS 14 1HE LYS 14 6.527 -5.865 -6.854 93 HE3 LYS 14 2HE LYS 14 7.607 -6.564 -5.648 94 HZ1 LYS 14 3HZ LYS 14 7.398 -7.670 -8.383 95 HZ2 LYS 14 1HZ LYS 14 8.627 -7.907 -7.245 96 HZ3 LYS 14 2HZ LYS 14 8.462 -6.409 -8.011 97 H CYS 15 H CYS 15 4.457 -4.255 -3.790 98 HA CYS 15 HA CYS 15 5.047 -1.772 -5.187 99 HB2 CYS 15 1HB CYS 15 4.311 -1.618 -2.871 100 HB3 CYS 15 2HB CYS 15 5.633 -2.661 -2.356 101 H ASN 16 H ASN 16 6.760 -1.701 -6.475 102 HA ASN 16 HA ASN 16 8.960 -3.536 -6.170 103 HB2 ASN 16 1HB ASN 16 8.811 -1.188 -8.062 104 HB3 ASN 16 2HB ASN 16 9.784 -2.646 -8.226 105 HD21 ASN 16 1HD2 ASN 16 7.416 -1.219 -9.675 106 HD22 ASN 16 2HD2 ASN 16 6.390 -2.544 -10.097 107 H GLU 17 H GLU 17 8.674 -1.897 -3.915 108 HA GLU 17 HA GLU 17 11.223 -0.444 -4.012 109 HB2 GLU 17 1HB GLU 17 8.880 0.599 -2.438 110 HB3 GLU 17 2HB GLU 17 10.375 1.428 -2.850 111 HG2 GLU 17 1HG GLU 17 9.488 1.015 -5.310 112 HG3 GLU 17 2HG GLU 17 7.937 0.984 -4.473 113 H CYS 18 H CYS 18 8.693 -1.812 -1.931 114 HA CYS 18 HA CYS 18 10.804 -2.775 -0.131 115 HB2 CYS 18 1HB CYS 18 9.480 -2.192 1.828 116 HB3 CYS 18 2HB CYS 18 9.792 -0.751 0.866 117 H LYS 19 H LYS 19 9.015 -3.933 -2.265 118 HA LYS 19 HA LYS 19 7.612 -5.717 -2.610 119 HB2 LYS 19 1HB LYS 19 9.194 -6.908 -0.332 120 HB3 LYS 19 2HB LYS 19 8.446 -7.761 -1.675 121 HG2 LYS 19 1HG LYS 19 10.779 -5.865 -1.851 122 HG3 LYS 19 2HG LYS 19 10.845 -7.625 -1.972 123 HD2 LYS 19 1HD LYS 19 9.322 -7.456 -3.955 124 HD3 LYS 19 2HD LYS 19 9.517 -5.703 -3.878 125 HE2 LYS 19 1HE LYS 19 11.948 -7.427 -3.941 126 HE3 LYS 19 2HE LYS 19 11.044 -7.176 -5.434 127 HZ1 LYS 19 3HZ LYS 19 11.420 -4.879 -5.348 128 HZ2 LYS 19 1HZ LYS 19 12.914 -5.571 -4.956 129 HZ3 LYS 19 2HZ LYS 19 11.937 -4.922 -3.738 130 H LYS 20 H LYS 20 6.349 -3.847 -1.005 131 HA LYS 20 HA LYS 20 4.940 -5.510 0.977 132 HB2 LYS 20 1HB LYS 20 6.124 -3.448 1.817 133 HB3 LYS 20 2HB LYS 20 4.999 -2.492 0.862 134 HG2 LYS 20 1HG LYS 20 3.130 -3.439 2.140 135 HG3 LYS 20 2HG LYS 20 4.280 -4.353 3.119 136 HD2 LYS 20 1HD LYS 20 5.329 -1.924 3.430 137 HD3 LYS 20 2HD LYS 20 3.657 -1.451 3.120 138 HE2 LYS 20 1HE LYS 20 3.022 -3.158 4.903 139 HE3 LYS 20 2HE LYS 20 4.733 -3.190 5.324 140 HZ1 LYS 20 3HZ LYS 20 3.669 -0.532 5.123 141 HZ2 LYS 20 1HZ LYS 20 4.575 -1.242 6.363 142 HZ3 LYS 20 2HZ LYS 20 2.898 -1.457 6.312 143 H THR 21 H THR 21 2.631 -5.203 1.173 144 HA THR 21 HA THR 21 1.309 -4.003 -1.148 145 HB THR 21 HB THR 21 -0.151 -5.989 -1.413 146 HG1 THR 21 HG1 THR 21 0.714 -7.974 -0.444 147 HG21 THR 21 3HG2 THR 21 2.801 -6.527 -1.751 148 HG22 THR 21 1HG2 THR 21 1.753 -5.704 -2.905 149 HG23 THR 21 2HG2 THR 21 1.504 -7.414 -2.552 150 H PHE 22 H PHE 22 -1.148 -4.090 -0.835 151 HA PHE 22 HA PHE 22 -1.949 -4.032 1.970 152 HB2 PHE 22 1HB PHE 22 -2.342 -1.681 0.106 153 HB3 PHE 22 2HB PHE 22 -2.983 -1.812 1.740 154 HD1 PHE 22 HD1 PHE 22 0.149 -1.624 -0.219 155 HD2 PHE 22 HD2 PHE 22 -1.687 -1.214 3.599 156 HE1 PHE 22 HE1 PHE 22 2.218 -0.628 0.665 157 HE2 PHE 22 HE2 PHE 22 0.379 -0.217 4.489 158 HZ PHE 22 HZ PHE 22 2.335 0.078 3.021 159 H THR 23 H THR 23 -4.007 -4.683 2.294 160 HA THR 23 HA THR 23 -5.411 -6.181 0.526 161 HB THR 23 HB THR 23 -6.743 -4.410 2.582 162 HG1 THR 23 HG1 THR 23 -5.660 -7.028 2.912 163 HG21 THR 23 3HG2 THR 23 -7.540 -7.109 1.486 164 HG22 THR 23 1HG2 THR 23 -8.261 -5.571 1.012 165 HG23 THR 23 2HG2 THR 23 -8.430 -6.152 2.669 166 H GLN 24 H GLN 24 -5.437 -2.688 0.777 167 HA GLN 24 HA GLN 24 -7.286 -2.581 -1.515 168 HB2 GLN 24 1HB GLN 24 -6.858 -0.598 0.720 169 HB3 GLN 24 2HB GLN 24 -7.785 -0.240 -0.731 170 HG2 GLN 24 1HG GLN 24 -9.399 -0.825 0.822 171 HG3 GLN 24 2HG GLN 24 -9.175 -2.300 -0.116 172 HE21 GLN 24 1HE2 GLN 24 -7.393 -0.824 2.573 173 HE22 GLN 24 2HE2 GLN 24 -7.461 -2.209 3.604 174 H SER 25 H SER 25 -6.840 -1.116 -3.190 175 HA SER 25 HA SER 25 -4.096 -0.818 -3.818 176 HB2 SER 25 1HB SER 25 -4.821 0.160 -5.862 177 HB3 SER 25 2HB SER 25 -6.037 -1.050 -5.454 178 HG SER 25 HG SER 25 -6.574 1.348 -6.045 179 H SER 26 H SER 26 -6.600 1.530 -2.898 180 HA SER 26 HA SER 26 -5.220 3.882 -3.095 181 HB2 SER 26 1HB SER 26 -7.112 3.090 -0.867 182 HB3 SER 26 2HB SER 26 -6.654 4.743 -1.279 183 HG SER 26 HG SER 26 -7.460 3.794 -3.516 184 H SER 27 H SER 27 -5.090 1.546 -0.440 185 HA SER 27 HA SER 27 -3.477 3.013 1.309 186 HB2 SER 27 1HB SER 27 -4.709 0.824 1.766 187 HB3 SER 27 2HB SER 27 -3.342 0.012 1.003 188 HG SER 27 HG SER 27 -2.336 1.706 2.744 189 H LEU 28 H LEU 28 -2.642 0.941 -1.414 190 HA LEU 28 HA LEU 28 0.149 0.887 -0.961 191 HB2 LEU 28 1HB LEU 28 -0.758 -0.758 -2.387 192 HB3 LEU 28 2HB LEU 28 -1.550 0.449 -3.399 193 HG LEU 28 HG LEU 28 0.611 1.147 -4.283 194 HD11 LEU 28 1HD1 LEU 28 1.611 -0.168 -1.990 195 HD12 LEU 28 2HD1 LEU 28 2.505 0.735 -3.213 196 HD13 LEU 28 3HD1 LEU 28 2.258 -1.001 -3.404 197 HD21 LEU 28 3HD2 LEU 28 0.929 -1.724 -4.673 198 HD22 LEU 28 1HD2 LEU 28 0.546 -0.455 -5.837 199 HD23 LEU 28 2HD2 LEU 28 -0.737 -1.175 -4.864 200 H THR 29 H THR 29 -1.854 2.884 -3.121 201 HA THR 29 HA THR 29 0.141 4.413 -4.278 202 HB THR 29 HB THR 29 -2.575 5.476 -3.490 203 HG1 THR 29 HG1 THR 29 -1.770 3.681 -5.506 204 HG21 THR 29 3HG2 THR 29 -1.469 6.220 -6.078 205 HG22 THR 29 1HG2 THR 29 -0.448 6.729 -4.734 206 HG23 THR 29 2HG2 THR 29 -2.135 7.238 -4.800 207 H VAL 30 H VAL 30 -1.859 5.401 -1.488 208 HA VAL 30 HA VAL 30 -0.412 7.687 -0.831 209 HB VAL 30 HB VAL 30 -2.664 7.001 0.089 210 HG11 VAL 30 1HG1 VAL 30 -2.825 5.568 1.951 211 HG12 VAL 30 2HG1 VAL 30 -1.799 4.716 0.795 212 HG13 VAL 30 3HG1 VAL 30 -1.077 5.536 2.179 213 HG21 VAL 30 3HG2 VAL 30 -1.890 7.845 2.511 214 HG22 VAL 30 1HG2 VAL 30 -0.444 8.251 1.587 215 HG23 VAL 30 2HG2 VAL 30 -2.008 8.913 1.114 216 H HIS 31 H HIS 31 0.483 4.428 -0.531 217 HA HIS 31 HA HIS 31 2.387 4.915 1.622 218 HB2 HIS 31 1HB HIS 31 1.591 2.806 1.982 219 HB3 HIS 31 2HB HIS 31 1.274 2.517 0.274 220 HD1 HIS 31 HD1 HIS 31 4.293 2.781 2.577 221 HD2 HIS 31 HD2 HIS 31 3.042 0.817 -0.864 222 HE1 HIS 31 HE1 HIS 31 6.156 1.196 1.993 223 H GLN 32 H GLN 32 2.280 4.509 -1.839 224 HA GLN 32 HA GLN 32 5.028 4.009 -2.268 225 HB2 GLN 32 1HB GLN 32 2.908 3.891 -3.868 226 HB3 GLN 32 2HB GLN 32 3.447 5.508 -4.300 227 HG2 GLN 32 1HG GLN 32 4.519 4.213 -5.862 228 HG3 GLN 32 2HG GLN 32 5.757 4.380 -4.618 229 HE21 GLN 32 1HE2 GLN 32 2.960 2.273 -5.223 230 HE22 GLN 32 2HE2 GLN 32 3.797 0.792 -4.921 231 H ARG 33 H ARG 33 3.124 6.989 -2.151 232 HA ARG 33 HA ARG 33 4.932 8.847 -3.024 233 HB2 ARG 33 1HB ARG 33 3.792 10.475 -1.641 234 HB3 ARG 33 2HB ARG 33 2.616 9.348 -2.305 235 HG2 ARG 33 1HG ARG 33 2.754 8.102 -0.115 236 HG3 ARG 33 2HG ARG 33 3.671 9.478 0.504 237 HD2 ARG 33 1HD ARG 33 1.229 9.556 1.011 238 HD3 ARG 33 2HD ARG 33 1.834 10.958 0.130 239 HE ARG 33 HE ARG 33 0.854 9.032 -1.683 240 HH11 ARG 33 1HH1 ARG 33 -0.234 11.358 0.667 241 HH12 ARG 33 2HH1 ARG 33 -1.762 11.620 -0.107 242 HH21 ARG 33 1HH2 ARG 33 -1.154 9.369 -2.712 243 HH22 ARG 33 2HH2 ARG 33 -2.284 10.487 -2.028 244 H ILE 34 H ILE 34 5.063 6.964 -0.124 245 HA ILE 34 HA ILE 34 6.817 8.568 1.390 246 HB ILE 34 HB ILE 34 6.193 5.632 1.411 247 HG12 ILE 34 1HG1 ILE 34 5.628 6.500 3.869 248 HG13 ILE 34 2HG1 ILE 34 5.513 8.042 3.027 249 HG21 ILE 34 1HG2 ILE 34 7.617 5.375 3.382 250 HG22 ILE 34 2HG2 ILE 34 8.559 5.820 1.960 251 HG23 ILE 34 3HG2 ILE 34 8.188 7.032 3.186 252 HD11 ILE 34 3HD1 ILE 34 3.753 5.687 2.926 253 HD12 ILE 34 1HD1 ILE 34 3.373 7.403 2.779 254 HD13 ILE 34 2HD1 ILE 34 4.026 6.521 1.397 255 H HIS 35 H HIS 35 7.447 5.840 -0.806 256 HA HIS 35 HA HIS 35 10.267 5.940 -0.540 257 HB2 HIS 35 1HB HIS 35 8.736 4.857 -2.907 258 HB3 HIS 35 2HB HIS 35 10.340 4.381 -2.357 259 HD1 HIS 35 HD1 HIS 35 10.162 3.465 0.345 260 HD2 HIS 35 HD2 HIS 35 6.911 3.011 -2.201 261 HE1 HIS 35 HE1 HIS 35 8.764 1.638 1.360 262 H THR 36 H THR 36 7.990 7.426 -2.779 263 HA THR 36 HA THR 36 9.900 8.440 -4.599 264 HB THR 36 HB THR 36 8.142 9.865 -5.448 265 HG1 THR 36 HG1 THR 36 6.152 10.023 -4.297 266 HG21 THR 36 3HG2 THR 36 8.062 7.333 -5.778 267 HG22 THR 36 1HG2 THR 36 6.575 8.228 -6.090 268 HG23 THR 36 2HG2 THR 36 6.767 7.334 -4.581 269 H GLY 37 H GLY 37 8.439 9.763 -1.665 270 HA2 GLY 37 1HA GLY 37 9.748 12.319 -1.973 271 HA3 GLY 37 2HA GLY 37 8.795 11.792 -0.594 272 H GLU 38 H GLU 38 11.572 10.107 -1.967 273 HA GLU 38 HA GLU 38 12.886 10.290 0.638 274 HB2 GLU 38 1HB GLU 38 13.122 8.450 -1.708 275 HB3 GLU 38 2HB GLU 38 14.480 8.605 -0.603 276 HG2 GLU 38 1HG GLU 38 12.727 8.139 1.238 277 HG3 GLU 38 2HG GLU 38 11.746 7.521 -0.090 278 H LYS 39 H LYS 39 15.410 10.277 0.403 279 HA LYS 39 HA LYS 39 17.089 11.864 0.206 280 HB2 LYS 39 1HB LYS 39 17.078 10.061 -1.769 281 HB3 LYS 39 2HB LYS 39 16.876 11.513 -2.741 282 HG2 LYS 39 1HG LYS 39 18.909 12.450 -1.688 283 HG3 LYS 39 2HG LYS 39 19.129 10.922 -0.833 284 HD2 LYS 39 1HD LYS 39 19.622 9.758 -2.782 285 HD3 LYS 39 2HD LYS 39 18.845 10.961 -3.814 286 HE2 LYS 39 1HE LYS 39 20.703 12.542 -2.924 287 HE3 LYS 39 2HE LYS 39 21.528 11.046 -2.489 288 HZ1 LYS 39 3HZ LYS 39 20.692 10.650 -5.062 289 HZ2 LYS 39 1HZ LYS 39 22.266 11.024 -4.568 290 HZ3 LYS 39 2HZ LYS 39 21.217 12.259 -5.052 291 HA PRO 40 HA PRO 40 14.196 15.240 -1.413 292 HB2 PRO 40 1HB PRO 40 13.716 16.435 0.976 293 HB3 PRO 40 2HB PRO 40 12.709 15.132 0.335 294 HG2 PRO 40 1HG PRO 40 14.904 15.004 2.366 295 HG3 PRO 40 2HG PRO 40 13.322 14.203 2.376 296 HD2 PRO 40 1HD PRO 40 15.599 12.923 1.663 297 HD3 PRO 40 2HD PRO 40 14.020 12.530 0.953 298 H SER 41 H SER 41 17.170 14.837 0.008 299 HA SER 41 HA SER 41 18.046 17.307 0.828 300 HB2 SER 41 1HB SER 41 19.520 15.190 -0.751 301 HB3 SER 41 2HB SER 41 20.309 16.590 -0.025 302 HG SER 41 HG SER 41 19.080 15.724 1.961 303 H GLY 42 H GLY 42 18.463 19.221 -0.096 304 HA2 GLY 42 1HA GLY 42 19.459 20.241 -2.198 305 HA3 GLY 42 2HA GLY 42 18.166 19.389 -3.029 306 HA PRO 43 HA PRO 43 16.042 22.848 -0.387 307 HB2 PRO 43 1HB PRO 43 17.691 24.688 0.736 308 HB3 PRO 43 2HB PRO 43 17.192 23.211 1.569 309 HG2 PRO 43 1HG PRO 43 19.742 23.796 0.113 310 HG3 PRO 43 2HG PRO 43 19.503 22.969 1.663 311 HD2 PRO 43 1HD PRO 43 19.947 21.631 -0.649 312 HD3 PRO 43 2HD PRO 43 18.936 20.975 0.655 313 H SER 44 H SER 44 18.187 22.939 -2.845 314 HA SER 44 HA SER 44 18.174 25.735 -3.477 315 HB2 SER 44 1HB SER 44 19.865 23.895 -4.221 316 HB3 SER 44 2HB SER 44 18.694 23.575 -5.501 317 HG SER 44 HG SER 44 18.861 26.003 -5.792 318 H SER 45 H SER 45 15.590 25.072 -2.978 319 HA SER 45 HA SER 45 14.289 24.734 -5.581 320 HB2 SER 45 1HB SER 45 12.193 24.535 -4.200 321 HB3 SER 45 2HB SER 45 13.399 23.289 -3.877 322 HG SER 45 HG SER 45 12.930 23.951 -1.892 323 H GLY 46 H GLY 46 12.308 26.113 -5.948 324 HA2 GLY 46 1HA GLY 46 13.086 28.874 -5.760 325 HA3 GLY 46 2HA GLY 46 11.637 28.248 -6.532 Start of MODEL 17 1 H1 GLY 1 H GLY 1 19.620 -15.254 2.936 2 HA2 GLY 1 1HA GLY 1 19.502 -14.911 5.826 3 HA3 GLY 1 2HA GLY 1 19.254 -13.459 4.868 4 H SER 2 H SER 2 17.424 -13.347 3.467 5 HA SER 2 HA SER 2 15.353 -15.372 3.934 6 HB2 SER 2 1HB SER 2 14.886 -12.391 4.190 7 HB3 SER 2 2HB SER 2 13.671 -13.656 4.371 8 HG SER 2 HG SER 2 15.303 -14.429 6.069 9 H SER 3 H SER 3 15.077 -16.145 1.936 10 HA SER 3 HA SER 3 14.036 -14.399 -0.107 11 HB2 SER 3 1HB SER 3 16.402 -14.097 -0.542 12 HB3 SER 3 2HB SER 3 16.665 -15.841 -0.528 13 HG SER 3 HG SER 3 15.742 -14.228 -2.532 14 H GLY 4 H GLY 4 12.502 -15.446 -1.203 15 HA2 GLY 4 1HA GLY 4 12.391 -17.769 -2.469 16 HA3 GLY 4 2HA GLY 4 12.247 -18.328 -0.809 17 H SER 5 H SER 5 10.821 -15.862 -2.955 18 HA SER 5 HA SER 5 8.242 -16.298 -1.624 19 HB2 SER 5 1HB SER 5 8.933 -13.977 -1.688 20 HB3 SER 5 2HB SER 5 9.199 -14.064 -3.429 21 HG SER 5 HG SER 5 7.214 -13.260 -3.350 22 H SER 6 H SER 6 6.802 -17.561 -2.574 23 HA SER 6 HA SER 6 6.645 -17.616 -5.500 24 HB2 SER 6 1HB SER 6 6.483 -20.048 -5.537 25 HB3 SER 6 2HB SER 6 8.002 -19.568 -4.780 26 HG SER 6 HG SER 6 7.031 -21.162 -3.536 27 H GLY 7 H GLY 7 4.606 -18.654 -6.268 28 HA2 GLY 7 1HA GLY 7 2.328 -19.071 -6.124 29 HA3 GLY 7 2HA GLY 7 2.438 -18.896 -4.379 30 H ALA 8 H ALA 8 2.885 -16.825 -7.251 31 HA ALA 8 HA ALA 8 1.439 -14.698 -5.822 32 HB1 ALA 8 3HB ALA 8 2.941 -13.256 -6.599 33 HB2 ALA 8 1HB ALA 8 3.869 -14.640 -7.177 34 HB3 ALA 8 2HB ALA 8 2.729 -13.830 -8.253 35 H GLY 9 H GLY 9 -0.619 -15.660 -6.359 36 HA2 GLY 9 1HA GLY 9 -1.399 -15.099 -9.153 37 HA3 GLY 9 2HA GLY 9 -1.986 -16.516 -8.294 38 H LYS 10 H LYS 10 -2.341 -15.127 -5.769 39 HA LYS 10 HA LYS 10 -4.945 -14.003 -6.314 40 HB2 LYS 10 1HB LYS 10 -5.156 -13.910 -3.853 41 HB3 LYS 10 2HB LYS 10 -4.702 -15.508 -4.429 42 HG2 LYS 10 1HG LYS 10 -2.611 -15.397 -3.518 43 HG3 LYS 10 2HG LYS 10 -2.542 -13.636 -3.614 44 HD2 LYS 10 1HD LYS 10 -4.410 -15.079 -1.749 45 HD3 LYS 10 2HD LYS 10 -2.759 -14.654 -1.292 46 HE2 LYS 10 1HE LYS 10 -4.810 -12.677 -2.279 47 HE3 LYS 10 2HE LYS 10 -4.490 -13.002 -0.576 48 HZ1 LYS 10 3HZ LYS 10 -2.361 -12.146 -2.446 49 HZ2 LYS 10 1HZ LYS 10 -2.332 -12.138 -0.755 50 HZ3 LYS 10 2HZ LYS 10 -3.308 -11.037 -1.589 51 H LYS 11 H LYS 11 -1.806 -12.880 -5.195 52 HA LYS 11 HA LYS 11 -2.320 -10.401 -4.202 53 HB2 LYS 11 1HB LYS 11 -0.063 -11.510 -4.560 54 HB3 LYS 11 2HB LYS 11 -0.119 -10.894 -6.206 55 HG2 LYS 11 1HG LYS 11 1.195 -9.402 -4.895 56 HG3 LYS 11 2HG LYS 11 -0.331 -8.598 -5.273 57 HD2 LYS 11 1HD LYS 11 0.223 -8.198 -2.961 58 HD3 LYS 11 2HD LYS 11 -1.183 -9.263 -3.043 59 HE2 LYS 11 1HE LYS 11 0.226 -11.193 -2.621 60 HE3 LYS 11 2HE LYS 11 1.664 -10.173 -2.628 61 HZ1 LYS 11 3HZ LYS 11 1.199 -10.418 -0.393 62 HZ2 LYS 11 1HZ LYS 11 -0.477 -10.336 -0.609 63 HZ3 LYS 11 2HZ LYS 11 0.462 -8.935 -0.741 64 H LEU 12 H LEU 12 -2.401 -8.274 -5.087 65 HA LEU 12 HA LEU 12 -3.288 -8.147 -7.891 66 HB2 LEU 12 1HB LEU 12 -4.676 -6.119 -6.767 67 HB3 LEU 12 2HB LEU 12 -5.324 -7.731 -7.059 68 HG LEU 12 HG LEU 12 -5.875 -6.848 -4.821 69 HD11 LEU 12 1HD1 LEU 12 -6.014 -9.012 -4.361 70 HD12 LEU 12 2HD1 LEU 12 -4.351 -8.949 -3.776 71 HD13 LEU 12 3HD1 LEU 12 -4.680 -9.381 -5.454 72 HD21 LEU 12 3HD2 LEU 12 -4.360 -6.049 -3.373 73 HD22 LEU 12 1HD2 LEU 12 -3.333 -5.876 -4.796 74 HD23 LEU 12 2HD2 LEU 12 -3.178 -7.299 -3.766 75 H PHE 13 H PHE 13 -1.652 -6.641 -5.207 76 HA PHE 13 HA PHE 13 -0.427 -4.746 -7.083 77 HB2 PHE 13 1HB PHE 13 -1.189 -3.941 -4.279 78 HB3 PHE 13 2HB PHE 13 -0.655 -2.906 -5.599 79 HD1 PHE 13 HD2 PHE 13 -2.228 -3.170 -7.782 80 HD2 PHE 13 HD1 PHE 13 -3.406 -3.834 -3.746 81 HE1 PHE 13 HE2 PHE 13 -4.572 -2.752 -8.401 82 HE2 PHE 13 HE1 PHE 13 -5.753 -3.418 -4.359 83 HZ PHE 13 HZ PHE 13 -6.338 -2.875 -6.689 84 H LYS 14 H LYS 14 1.725 -4.359 -6.770 85 HA LYS 14 HA LYS 14 3.011 -5.521 -4.404 86 HB2 LYS 14 1HB LYS 14 3.026 -6.982 -6.604 87 HB3 LYS 14 2HB LYS 14 4.323 -5.887 -7.064 88 HG2 LYS 14 1HG LYS 14 4.423 -7.217 -4.401 89 HG3 LYS 14 2HG LYS 14 4.842 -8.137 -5.848 90 HD2 LYS 14 1HD LYS 14 6.356 -6.092 -6.387 91 HD3 LYS 14 2HD LYS 14 6.193 -5.743 -4.664 92 HE2 LYS 14 1HE LYS 14 8.186 -7.040 -5.010 93 HE3 LYS 14 2HE LYS 14 6.996 -8.038 -4.176 94 HZ1 LYS 14 3HZ LYS 14 7.183 -8.140 -7.111 95 HZ2 LYS 14 1HZ LYS 14 6.643 -9.325 -6.031 96 HZ3 LYS 14 2HZ LYS 14 8.296 -9.001 -6.173 97 H CYS 15 H CYS 15 4.500 -4.224 -3.533 98 HA CYS 15 HA CYS 15 5.116 -1.721 -4.868 99 HB2 CYS 15 1HB CYS 15 4.534 -2.138 -2.332 100 HB3 CYS 15 2HB CYS 15 6.257 -2.477 -2.207 101 H ASN 16 H ASN 16 6.749 -1.676 -6.261 102 HA ASN 16 HA ASN 16 8.915 -3.563 -6.137 103 HB2 ASN 16 1HB ASN 16 8.641 -1.135 -7.919 104 HB3 ASN 16 2HB ASN 16 9.704 -2.517 -8.172 105 HD21 ASN 16 1HD2 ASN 16 6.652 -1.189 -8.731 106 HD22 ASN 16 2HD2 ASN 16 5.914 -2.568 -9.466 107 H GLU 17 H GLU 17 8.708 -1.897 -3.827 108 HA GLU 17 HA GLU 17 11.346 -0.613 -3.950 109 HB2 GLU 17 1HB GLU 17 8.988 0.568 -2.478 110 HB3 GLU 17 2HB GLU 17 10.591 1.271 -2.651 111 HG2 GLU 17 1HG GLU 17 9.139 0.663 -5.148 112 HG3 GLU 17 2HG GLU 17 8.506 1.978 -4.159 113 H CYS 18 H CYS 18 8.743 -1.755 -1.815 114 HA CYS 18 HA CYS 18 10.814 -2.788 0.004 115 HB2 CYS 18 1HB CYS 18 9.346 -2.252 1.912 116 HB3 CYS 18 2HB CYS 18 9.821 -0.807 1.025 117 H LYS 19 H LYS 19 9.015 -3.906 -2.189 118 HA LYS 19 HA LYS 19 7.651 -5.707 -2.574 119 HB2 LYS 19 1HB LYS 19 9.538 -6.658 -0.428 120 HB3 LYS 19 2HB LYS 19 8.374 -7.740 -1.182 121 HG2 LYS 19 1HG LYS 19 10.365 -8.072 -2.359 122 HG3 LYS 19 2HG LYS 19 9.389 -7.035 -3.403 123 HD2 LYS 19 1HD LYS 19 10.614 -5.073 -2.579 124 HD3 LYS 19 2HD LYS 19 11.599 -6.124 -1.559 125 HE2 LYS 19 1HE LYS 19 11.432 -6.622 -4.502 126 HE3 LYS 19 2HE LYS 19 12.489 -5.353 -3.884 127 HZ1 LYS 19 3HZ LYS 19 13.882 -6.846 -2.934 128 HZ2 LYS 19 1HZ LYS 19 13.303 -7.830 -4.181 129 HZ3 LYS 19 2HZ LYS 19 12.667 -7.980 -2.621 130 H LYS 20 H LYS 20 6.420 -3.816 -0.896 131 HA LYS 20 HA LYS 20 5.028 -5.437 1.115 132 HB2 LYS 20 1HB LYS 20 6.022 -3.198 1.732 133 HB3 LYS 20 2HB LYS 20 4.819 -2.455 0.685 134 HG2 LYS 20 1HG LYS 20 3.764 -2.288 2.696 135 HG3 LYS 20 2HG LYS 20 3.150 -3.853 2.157 136 HD2 LYS 20 1HD LYS 20 4.349 -5.009 3.707 137 HD3 LYS 20 2HD LYS 20 5.687 -3.857 3.689 138 HE2 LYS 20 1HE LYS 20 4.570 -2.375 5.126 139 HE3 LYS 20 2HE LYS 20 3.011 -3.152 4.855 140 HZ1 LYS 20 3HZ LYS 20 3.381 -4.466 6.580 141 HZ2 LYS 20 1HZ LYS 20 4.838 -3.662 6.888 142 HZ3 LYS 20 2HZ LYS 20 4.822 -5.036 5.901 143 H THR 21 H THR 21 2.718 -5.395 1.235 144 HA THR 21 HA THR 21 1.358 -4.606 -1.249 145 HB THR 21 HB THR 21 0.023 -6.672 -1.203 146 HG1 THR 21 HG1 THR 21 0.228 -7.199 1.003 147 HG21 THR 21 3HG2 THR 21 1.872 -8.261 -1.831 148 HG22 THR 21 1HG2 THR 21 3.017 -7.020 -1.322 149 HG23 THR 21 2HG2 THR 21 1.913 -6.705 -2.660 150 H PHE 22 H PHE 22 -1.066 -4.646 -0.977 151 HA PHE 22 HA PHE 22 -2.035 -4.325 1.735 152 HB2 PHE 22 1HB PHE 22 -2.184 -2.020 -0.219 153 HB3 PHE 22 2HB PHE 22 -2.866 -2.055 1.404 154 HD1 PHE 22 HD1 PHE 22 0.243 -1.912 -0.546 155 HD2 PHE 22 HD2 PHE 22 -1.506 -1.692 3.328 156 HE1 PHE 22 HE1 PHE 22 2.352 -1.016 0.352 157 HE2 PHE 22 HE2 PHE 22 0.599 -0.796 4.232 158 HZ PHE 22 HZ PHE 22 2.532 -0.456 2.743 159 H THR 23 H THR 23 -4.007 -5.160 1.861 160 HA THR 23 HA THR 23 -5.376 -6.451 -0.072 161 HB THR 23 HB THR 23 -6.060 -6.562 2.261 162 HG1 THR 23 HG1 THR 23 -7.971 -5.832 0.315 163 HG21 THR 23 3HG2 THR 23 -7.718 -4.174 2.292 164 HG22 THR 23 1HG2 THR 23 -6.000 -3.796 2.174 165 HG23 THR 23 2HG2 THR 23 -6.597 -4.783 3.508 166 H GLN 24 H GLN 24 -5.345 -2.999 0.460 167 HA GLN 24 HA GLN 24 -7.102 -2.670 -1.883 168 HB2 GLN 24 1HB GLN 24 -6.819 -0.856 0.518 169 HB3 GLN 24 2HB GLN 24 -7.766 -0.481 -0.915 170 HG2 GLN 24 1HG GLN 24 -9.162 -2.465 -0.472 171 HG3 GLN 24 2HG GLN 24 -8.251 -2.740 1.012 172 HE21 GLN 24 1HE2 GLN 24 -11.117 -2.033 0.394 173 HE22 GLN 24 2HE2 GLN 24 -11.450 -0.679 1.413 174 H SER 25 H SER 25 -6.537 -1.139 -3.419 175 HA SER 25 HA SER 25 -3.782 -0.706 -3.813 176 HB2 SER 25 1HB SER 25 -4.532 0.783 -5.689 177 HB3 SER 25 2HB SER 25 -5.256 -0.824 -5.717 178 HG SER 25 HG SER 25 -6.429 1.639 -5.323 179 H SER 26 H SER 26 -6.383 1.493 -2.810 180 HA SER 26 HA SER 26 -5.119 3.894 -2.716 181 HB2 SER 26 1HB SER 26 -6.595 4.510 -0.863 182 HB3 SER 26 2HB SER 26 -7.472 3.539 -2.045 183 HG SER 26 HG SER 26 -7.545 1.888 -0.667 184 H SER 27 H SER 27 -4.832 1.290 -0.340 185 HA SER 27 HA SER 27 -3.267 2.657 1.542 186 HB2 SER 27 1HB SER 27 -3.748 -0.221 0.894 187 HB3 SER 27 2HB SER 27 -2.423 0.185 1.985 188 HG SER 27 HG SER 27 -3.891 0.361 3.463 189 H LEU 28 H LEU 28 -2.339 0.691 -1.258 190 HA LEU 28 HA LEU 28 0.456 0.891 -0.828 191 HB2 LEU 28 1HB LEU 28 -0.307 -0.882 -2.182 192 HB3 LEU 28 2HB LEU 28 -1.222 0.206 -3.223 193 HG LEU 28 HG LEU 28 0.884 1.091 -4.128 194 HD11 LEU 28 1HD1 LEU 28 1.989 -0.274 -1.871 195 HD12 LEU 28 2HD1 LEU 28 2.771 0.835 -2.996 196 HD13 LEU 28 3HD1 LEU 28 2.721 -0.891 -3.353 197 HD21 LEU 28 3HD2 LEU 28 -0.078 -0.626 -5.413 198 HD22 LEU 28 1HD2 LEU 28 0.397 -1.871 -4.259 199 HD23 LEU 28 2HD2 LEU 28 1.620 -1.072 -5.247 200 H THR 29 H THR 29 -1.676 2.535 -3.167 201 HA THR 29 HA THR 29 0.116 4.210 -4.375 202 HB THR 29 HB THR 29 -2.705 4.928 -3.553 203 HG1 THR 29 HG1 THR 29 -2.178 2.997 -4.987 204 HG21 THR 29 3HG2 THR 29 -0.672 6.474 -4.834 205 HG22 THR 29 1HG2 THR 29 -2.338 6.924 -4.472 206 HG23 THR 29 2HG2 THR 29 -1.951 6.132 -5.999 207 H VAL 30 H VAL 30 -1.891 5.185 -1.586 208 HA VAL 30 HA VAL 30 -0.604 7.591 -1.061 209 HB VAL 30 HB VAL 30 -2.761 6.860 -0.043 210 HG11 VAL 30 1HG1 VAL 30 -1.839 4.582 0.600 211 HG12 VAL 30 2HG1 VAL 30 -1.093 5.390 1.980 212 HG13 VAL 30 3HG1 VAL 30 -2.848 5.393 1.798 213 HG21 VAL 30 3HG2 VAL 30 -1.971 7.686 2.370 214 HG22 VAL 30 1HG2 VAL 30 -0.531 8.116 1.446 215 HG23 VAL 30 2HG2 VAL 30 -2.102 8.774 0.988 216 H HIS 31 H HIS 31 0.409 4.357 -0.418 217 HA HIS 31 HA HIS 31 2.367 5.108 1.576 218 HB2 HIS 31 1HB HIS 31 1.735 2.966 2.047 219 HB3 HIS 31 2HB HIS 31 1.407 2.578 0.361 220 HD1 HIS 31 HD1 HIS 31 4.438 3.152 2.588 221 HD2 HIS 31 HD2 HIS 31 3.274 0.964 -0.746 222 HE1 HIS 31 HE1 HIS 31 6.400 1.680 2.032 223 H GLN 32 H GLN 32 2.224 4.609 -1.859 224 HA GLN 32 HA GLN 32 4.976 4.228 -2.351 225 HB2 GLN 32 1HB GLN 32 2.837 4.005 -3.902 226 HB3 GLN 32 2HB GLN 32 3.273 5.651 -4.343 227 HG2 GLN 32 1HG GLN 32 4.277 4.218 -5.930 228 HG3 GLN 32 2HG GLN 32 5.565 4.805 -4.880 229 HE21 GLN 32 1HE2 GLN 32 3.192 2.166 -4.741 230 HE22 GLN 32 2HE2 GLN 32 4.340 0.925 -4.386 231 H ARG 33 H ARG 33 2.975 7.116 -2.074 232 HA ARG 33 HA ARG 33 4.633 9.067 -3.046 233 HB2 ARG 33 1HB ARG 33 3.437 10.620 -1.746 234 HB3 ARG 33 2HB ARG 33 2.305 9.301 -2.014 235 HG2 ARG 33 1HG ARG 33 3.000 8.409 0.242 236 HG3 ARG 33 2HG ARG 33 3.837 9.943 0.487 237 HD2 ARG 33 1HD ARG 33 0.998 10.021 -0.387 238 HD3 ARG 33 2HD ARG 33 1.338 9.564 1.281 239 HE ARG 33 HE ARG 33 2.775 11.798 1.046 240 HH11 ARG 33 1HH1 ARG 33 -0.500 11.076 0.112 241 HH12 ARG 33 2HH1 ARG 33 -1.060 12.700 0.336 242 HH21 ARG 33 1HH2 ARG 33 2.050 13.940 1.344 243 HH22 ARG 33 2HH2 ARG 33 0.391 14.329 1.036 244 H ILE 34 H ILE 34 5.065 7.133 -0.214 245 HA ILE 34 HA ILE 34 6.878 8.805 1.176 246 HB ILE 34 HB ILE 34 6.332 5.852 1.271 247 HG12 ILE 34 1HG1 ILE 34 5.876 6.756 3.746 248 HG13 ILE 34 2HG1 ILE 34 5.637 8.264 2.871 249 HG21 ILE 34 1HG2 ILE 34 7.878 5.641 3.128 250 HG22 ILE 34 2HG2 ILE 34 8.731 6.188 1.686 251 HG23 ILE 34 3HG2 ILE 34 8.337 7.336 2.965 252 HD11 ILE 34 3HD1 ILE 34 4.104 6.740 1.366 253 HD12 ILE 34 1HD1 ILE 34 4.031 5.774 2.839 254 HD13 ILE 34 2HD1 ILE 34 3.514 7.460 2.863 255 H HIS 35 H HIS 35 7.367 6.104 -1.080 256 HA HIS 35 HA HIS 35 10.205 6.235 -1.010 257 HB2 HIS 35 1HB HIS 35 8.480 5.088 -3.211 258 HB3 HIS 35 2HB HIS 35 10.156 4.682 -2.854 259 HD1 HIS 35 HD1 HIS 35 10.323 3.802 -0.129 260 HD2 HIS 35 HD2 HIS 35 6.844 3.155 -2.306 261 HE1 HIS 35 HE1 HIS 35 9.135 1.923 1.046 262 H THR 36 H THR 36 7.736 7.695 -3.043 263 HA THR 36 HA THR 36 9.490 8.713 -5.024 264 HB THR 36 HB THR 36 7.647 10.078 -5.768 265 HG1 THR 36 HG1 THR 36 5.725 10.183 -4.465 266 HG21 THR 36 3HG2 THR 36 6.993 7.297 -4.874 267 HG22 THR 36 1HG2 THR 36 7.274 7.909 -6.503 268 HG23 THR 36 2HG2 THR 36 5.765 8.281 -5.669 269 H GLY 37 H GLY 37 8.229 10.018 -1.994 270 HA2 GLY 37 1HA GLY 37 9.341 12.632 -2.395 271 HA3 GLY 37 2HA GLY 37 8.661 12.006 -0.900 272 H GLU 38 H GLU 38 10.285 9.804 -0.466 273 HA GLU 38 HA GLU 38 12.343 10.701 1.018 274 HB2 GLU 38 1HB GLU 38 12.051 8.172 -0.566 275 HB3 GLU 38 2HB GLU 38 13.527 8.475 0.340 276 HG2 GLU 38 1HG GLU 38 10.818 8.617 1.616 277 HG3 GLU 38 2HG GLU 38 11.718 7.107 1.478 278 H LYS 39 H LYS 39 14.552 11.100 0.781 279 HA LYS 39 HA LYS 39 15.396 12.661 -1.292 280 HB2 LYS 39 1HB LYS 39 17.665 12.305 -0.529 281 HB3 LYS 39 2HB LYS 39 16.590 12.392 0.861 282 HG2 LYS 39 1HG LYS 39 16.587 9.914 0.949 283 HG3 LYS 39 2HG LYS 39 17.780 9.907 -0.352 284 HD2 LYS 39 1HD LYS 39 18.354 11.572 2.040 285 HD3 LYS 39 2HD LYS 39 18.477 9.819 2.212 286 HE2 LYS 39 1HE LYS 39 20.632 10.531 1.603 287 HE3 LYS 39 2HE LYS 39 19.929 9.873 0.126 288 HZ1 LYS 39 3HZ LYS 39 19.663 11.968 -0.780 289 HZ2 LYS 39 1HZ LYS 39 21.145 12.114 0.023 290 HZ3 LYS 39 2HZ LYS 39 19.741 12.755 0.716 291 HA PRO 40 HA PRO 40 15.922 9.981 -4.757 292 HB2 PRO 40 1HB PRO 40 17.500 11.599 -6.260 293 HB3 PRO 40 2HB PRO 40 15.768 11.877 -6.045 294 HG2 PRO 40 1HG PRO 40 18.081 13.169 -4.652 295 HG3 PRO 40 2HG PRO 40 16.602 13.912 -5.289 296 HD2 PRO 40 1HD PRO 40 16.936 13.353 -2.661 297 HD3 PRO 40 2HD PRO 40 15.350 13.290 -3.456 298 H SER 41 H SER 41 17.441 8.599 -5.667 299 HA SER 41 HA SER 41 19.836 8.202 -4.096 300 HB2 SER 41 1HB SER 41 18.474 6.267 -4.750 301 HB3 SER 41 2HB SER 41 18.745 6.642 -6.452 302 HG SER 41 HG SER 41 21.057 6.447 -5.003 303 H GLY 42 H GLY 42 20.053 10.597 -5.377 304 HA2 GLY 42 1HA GLY 42 22.445 10.195 -6.921 305 HA3 GLY 42 2HA GLY 42 21.104 10.792 -7.888 306 HA PRO 43 HA PRO 43 22.150 14.895 -6.754 307 HB2 PRO 43 1HB PRO 43 19.720 16.097 -6.900 308 HB3 PRO 43 2HB PRO 43 20.626 15.585 -8.329 309 HG2 PRO 43 1HG PRO 43 18.362 14.214 -6.929 310 HG3 PRO 43 2HG PRO 43 18.642 14.421 -8.668 311 HD2 PRO 43 1HD PRO 43 19.203 12.114 -7.367 312 HD3 PRO 43 2HD PRO 43 20.146 12.677 -8.762 313 H SER 44 H SER 44 22.739 14.409 -4.553 314 HA SER 44 HA SER 44 21.259 14.008 -2.349 315 HB2 SER 44 1HB SER 44 23.568 15.936 -2.654 316 HB3 SER 44 2HB SER 44 22.902 15.455 -1.094 317 HG SER 44 HG SER 44 24.604 14.119 -2.725 318 H SER 45 H SER 45 20.112 15.226 -0.830 319 HA SER 45 HA SER 45 18.379 17.171 -1.854 320 HB2 SER 45 1HB SER 45 17.782 15.797 0.073 321 HB3 SER 45 2HB SER 45 19.061 16.546 1.029 322 HG SER 45 HG SER 45 17.271 18.297 -0.138 323 H GLY 46 H GLY 46 18.537 19.308 -2.104 324 HA2 GLY 46 1HA GLY 46 19.533 21.256 -0.578 325 HA3 GLY 46 2HA GLY 46 21.006 20.619 -1.295 Start of MODEL 18 1 H1 GLY 1 H GLY 1 15.944 -15.789 -7.060 2 HA2 GLY 1 1HA GLY 1 14.459 -17.136 -5.936 3 HA3 GLY 1 2HA GLY 1 14.172 -15.710 -4.950 4 H SER 2 H SER 2 12.463 -17.957 -6.203 5 HA SER 2 HA SER 2 10.265 -16.180 -6.940 6 HB2 SER 2 1HB SER 2 9.679 -17.468 -8.911 7 HB3 SER 2 2HB SER 2 11.346 -16.914 -9.065 8 HG SER 2 HG SER 2 10.669 -19.467 -8.046 9 H SER 3 H SER 3 8.188 -17.083 -6.630 10 HA SER 3 HA SER 3 7.743 -18.527 -4.380 11 HB2 SER 3 1HB SER 3 6.118 -18.222 -6.885 12 HB3 SER 3 2HB SER 3 5.539 -19.262 -5.584 13 HG SER 3 HG SER 3 4.989 -16.862 -5.642 14 H GLY 4 H GLY 4 8.611 -20.420 -3.826 15 HA2 GLY 4 1HA GLY 4 9.337 -22.430 -5.713 16 HA3 GLY 4 2HA GLY 4 9.364 -22.591 -3.963 17 H SER 5 H SER 5 8.233 -24.110 -6.484 18 HA SER 5 HA SER 5 6.390 -25.358 -7.023 19 HB2 SER 5 1HB SER 5 5.753 -26.892 -5.323 20 HB3 SER 5 2HB SER 5 7.435 -26.483 -4.985 21 HG SER 5 HG SER 5 5.547 -26.357 -3.284 22 H SER 6 H SER 6 5.736 -22.670 -6.928 23 HA SER 6 HA SER 6 4.016 -21.187 -6.673 24 HB2 SER 6 1HB SER 6 3.029 -22.806 -8.256 25 HB3 SER 6 2HB SER 6 2.386 -23.731 -6.899 26 HG SER 6 HG SER 6 1.321 -21.612 -8.114 27 H GLY 7 H GLY 7 5.136 -21.891 -4.229 28 HA2 GLY 7 1HA GLY 7 3.597 -22.856 -2.202 29 HA3 GLY 7 2HA GLY 7 4.673 -21.480 -2.006 30 H ALA 8 H ALA 8 3.823 -19.359 -2.214 31 HA ALA 8 HA ALA 8 0.891 -19.169 -2.186 32 HB1 ALA 8 3HB ALA 8 1.482 -17.273 -0.382 33 HB2 ALA 8 1HB ALA 8 1.085 -18.936 0.053 34 HB3 ALA 8 2HB ALA 8 2.771 -18.425 -0.035 35 H GLY 9 H GLY 9 0.030 -17.228 -2.951 36 HA2 GLY 9 1HA GLY 9 1.744 -15.035 -3.699 37 HA3 GLY 9 2HA GLY 9 1.190 -15.982 -5.072 38 H LYS 10 H LYS 10 -1.113 -16.150 -5.435 39 HA LYS 10 HA LYS 10 -2.967 -14.861 -5.984 40 HB2 LYS 10 1HB LYS 10 -4.578 -15.036 -4.262 41 HB3 LYS 10 2HB LYS 10 -3.485 -16.394 -4.024 42 HG2 LYS 10 1HG LYS 10 -2.273 -14.770 -2.386 43 HG3 LYS 10 2HG LYS 10 -3.822 -13.923 -2.390 44 HD2 LYS 10 1HD LYS 10 -3.887 -15.442 -0.570 45 HD3 LYS 10 2HD LYS 10 -4.899 -16.137 -1.838 46 HE2 LYS 10 1HE LYS 10 -3.127 -17.643 -2.482 47 HE3 LYS 10 2HE LYS 10 -2.019 -16.883 -1.341 48 HZ1 LYS 10 3HZ LYS 10 -2.837 -18.072 0.339 49 HZ2 LYS 10 1HZ LYS 10 -3.549 -19.059 -0.836 50 HZ3 LYS 10 2HZ LYS 10 -4.445 -17.816 -0.120 51 H LYS 11 H LYS 11 -0.749 -13.148 -5.757 52 HA LYS 11 HA LYS 11 -1.692 -10.856 -4.209 53 HB2 LYS 11 1HB LYS 11 0.761 -11.709 -4.309 54 HB3 LYS 11 2HB LYS 11 0.812 -10.893 -5.866 55 HG2 LYS 11 1HG LYS 11 1.685 -9.386 -4.271 56 HG3 LYS 11 2HG LYS 11 0.070 -8.806 -4.685 57 HD2 LYS 11 1HD LYS 11 0.365 -8.660 -2.300 58 HD3 LYS 11 2HD LYS 11 -0.799 -9.940 -2.653 59 HE2 LYS 11 1HE LYS 11 0.882 -11.628 -2.314 60 HE3 LYS 11 2HE LYS 11 2.135 -10.401 -2.135 61 HZ1 LYS 11 3HZ LYS 11 0.947 -9.600 -0.148 62 HZ2 LYS 11 1HZ LYS 11 1.489 -11.194 0.015 63 HZ3 LYS 11 2HZ LYS 11 -0.144 -10.884 -0.296 64 H LEU 12 H LEU 12 -2.010 -8.796 -5.153 65 HA LEU 12 HA LEU 12 -2.424 -8.816 -8.068 66 HB2 LEU 12 1HB LEU 12 -4.256 -7.000 -7.011 67 HB3 LEU 12 2HB LEU 12 -4.600 -8.565 -7.744 68 HG LEU 12 HG LEU 12 -5.721 -8.272 -5.578 69 HD11 LEU 12 1HD1 LEU 12 -3.799 -10.337 -4.840 70 HD12 LEU 12 2HD1 LEU 12 -4.384 -10.477 -6.497 71 HD13 LEU 12 3HD1 LEU 12 -5.530 -10.455 -5.156 72 HD21 LEU 12 3HD2 LEU 12 -4.664 -7.264 -3.909 73 HD22 LEU 12 1HD2 LEU 12 -3.145 -7.299 -4.804 74 HD23 LEU 12 2HD2 LEU 12 -3.593 -8.661 -3.777 75 H PHE 13 H PHE 13 -1.351 -7.155 -5.239 76 HA PHE 13 HA PHE 13 -0.325 -4.991 -6.938 77 HB2 PHE 13 1HB PHE 13 -1.725 -4.677 -4.279 78 HB3 PHE 13 2HB PHE 13 -0.761 -3.406 -5.023 79 HD1 PHE 13 HD1 PHE 13 -3.661 -5.636 -5.689 80 HD2 PHE 13 HD2 PHE 13 -1.752 -1.917 -6.489 81 HE1 PHE 13 HE1 PHE 13 -5.628 -4.907 -6.976 82 HE2 PHE 13 HE2 PHE 13 -3.715 -1.182 -7.776 83 HZ PHE 13 HZ PHE 13 -5.657 -2.677 -8.020 84 H LYS 14 H LYS 14 1.770 -4.544 -6.631 85 HA LYS 14 HA LYS 14 3.060 -5.393 -4.137 86 HB2 LYS 14 1HB LYS 14 4.955 -6.327 -5.402 87 HB3 LYS 14 2HB LYS 14 3.458 -7.190 -5.730 88 HG2 LYS 14 1HG LYS 14 3.317 -6.409 -7.884 89 HG3 LYS 14 2HG LYS 14 4.282 -4.972 -7.540 90 HD2 LYS 14 1HD LYS 14 5.530 -7.681 -7.341 91 HD3 LYS 14 2HD LYS 14 5.306 -6.934 -8.924 92 HE2 LYS 14 1HE LYS 14 6.517 -4.931 -8.077 93 HE3 LYS 14 2HE LYS 14 6.843 -5.812 -6.585 94 HZ1 LYS 14 3HZ LYS 14 7.579 -7.232 -8.985 95 HZ2 LYS 14 1HZ LYS 14 8.450 -7.002 -7.552 96 HZ3 LYS 14 2HZ LYS 14 8.448 -5.801 -8.743 97 H CYS 15 H CYS 15 4.552 -3.998 -3.375 98 HA CYS 15 HA CYS 15 4.791 -1.435 -4.640 99 HB2 CYS 15 1HB CYS 15 4.787 -2.118 -2.078 100 HB3 CYS 15 2HB CYS 15 6.526 -2.217 -2.339 101 H ASN 16 H ASN 16 6.371 -0.693 -5.911 102 HA ASN 16 HA ASN 16 8.412 -2.491 -6.822 103 HB2 ASN 16 1HB ASN 16 7.106 -0.565 -8.090 104 HB3 ASN 16 2HB ASN 16 8.454 0.413 -7.517 105 HD21 ASN 16 1HD2 ASN 16 9.507 0.762 -9.382 106 HD22 ASN 16 2HD2 ASN 16 10.182 -0.482 -10.373 107 H GLU 17 H GLU 17 8.284 -1.072 -4.015 108 HA GLU 17 HA GLU 17 11.139 -0.346 -3.987 109 HB2 GLU 17 1HB GLU 17 9.015 0.772 -2.154 110 HB3 GLU 17 2HB GLU 17 10.700 1.262 -2.242 111 HG2 GLU 17 1HG GLU 17 9.021 1.483 -4.685 112 HG3 GLU 17 2HG GLU 17 8.809 2.664 -3.393 113 H CYS 18 H CYS 18 8.449 -1.704 -2.126 114 HA CYS 18 HA CYS 18 10.397 -3.359 -0.673 115 HB2 CYS 18 1HB CYS 18 9.151 -3.091 1.394 116 HB3 CYS 18 2HB CYS 18 9.631 -1.509 0.787 117 H LYS 19 H LYS 19 8.532 -3.759 -2.993 118 HA LYS 19 HA LYS 19 6.791 -5.143 -3.654 119 HB2 LYS 19 1HB LYS 19 8.856 -6.818 -2.257 120 HB3 LYS 19 2HB LYS 19 7.451 -7.568 -3.002 121 HG2 LYS 19 1HG LYS 19 8.981 -7.705 -4.698 122 HG3 LYS 19 2HG LYS 19 8.180 -6.181 -5.091 123 HD2 LYS 19 1HD LYS 19 10.062 -5.149 -3.597 124 HD3 LYS 19 2HD LYS 19 10.900 -6.662 -3.950 125 HE2 LYS 19 1HE LYS 19 9.743 -4.852 -6.063 126 HE3 LYS 19 2HE LYS 19 11.415 -4.768 -5.513 127 HZ1 LYS 19 3HZ LYS 19 10.193 -6.608 -7.326 128 HZ2 LYS 19 1HZ LYS 19 11.032 -7.405 -6.091 129 HZ3 LYS 19 2HZ LYS 19 11.832 -6.280 -7.068 130 H LYS 20 H LYS 20 5.631 -3.841 -1.704 131 HA LYS 20 HA LYS 20 4.468 -5.887 0.070 132 HB2 LYS 20 1HB LYS 20 5.627 -4.128 1.308 133 HB3 LYS 20 2HB LYS 20 4.678 -2.899 0.483 134 HG2 LYS 20 1HG LYS 20 2.749 -3.416 1.652 135 HG3 LYS 20 2HG LYS 20 3.321 -5.030 2.078 136 HD2 LYS 20 1HD LYS 20 4.869 -2.703 3.084 137 HD3 LYS 20 2HD LYS 20 3.302 -3.030 3.827 138 HE2 LYS 20 1HE LYS 20 4.798 -4.237 5.142 139 HE3 LYS 20 2HE LYS 20 4.140 -5.449 4.044 140 HZ1 LYS 20 3HZ LYS 20 6.578 -5.567 4.309 141 HZ2 LYS 20 1HZ LYS 20 6.711 -4.030 3.613 142 HZ3 LYS 20 2HZ LYS 20 6.099 -5.320 2.706 143 H THR 21 H THR 21 2.181 -5.657 0.563 144 HA THR 21 HA THR 21 0.673 -4.300 -1.574 145 HB THR 21 HB THR 21 0.676 -6.710 -2.002 146 HG1 THR 21 HG1 THR 21 -1.851 -5.864 -0.989 147 HG21 THR 21 3HG2 THR 21 1.022 -7.479 0.304 148 HG22 THR 21 1HG2 THR 21 -0.369 -8.267 -0.438 149 HG23 THR 21 2HG2 THR 21 -0.611 -6.958 0.720 150 H PHE 22 H PHE 22 -1.658 -3.975 -0.995 151 HA PHE 22 HA PHE 22 -2.128 -3.713 1.881 152 HB2 PHE 22 1HB PHE 22 -2.467 -1.445 -0.093 153 HB3 PHE 22 2HB PHE 22 -2.953 -1.405 1.599 154 HD1 PHE 22 HD1 PHE 22 0.061 -2.068 -0.493 155 HD2 PHE 22 HD2 PHE 22 -1.513 -0.476 3.127 156 HE1 PHE 22 HE1 PHE 22 2.304 -1.266 0.125 157 HE2 PHE 22 HE2 PHE 22 0.727 0.329 3.751 158 HZ PHE 22 HZ PHE 22 2.639 -0.064 2.249 159 H THR 23 H THR 23 -4.173 -4.161 2.471 160 HA THR 23 HA THR 23 -5.938 -5.608 1.107 161 HB THR 23 HB THR 23 -6.817 -3.342 2.906 162 HG1 THR 23 HG1 THR 23 -6.095 -6.026 3.552 163 HG21 THR 23 3HG2 THR 23 -8.262 -5.382 1.506 164 HG22 THR 23 1HG2 THR 23 -8.880 -4.112 2.562 165 HG23 THR 23 2HG2 THR 23 -8.386 -5.662 3.242 166 H GLN 24 H GLN 24 -5.654 -2.103 0.838 167 HA GLN 24 HA GLN 24 -7.479 -2.208 -1.473 168 HB2 GLN 24 1HB GLN 24 -7.147 -0.085 0.637 169 HB3 GLN 24 2HB GLN 24 -7.881 0.265 -0.923 170 HG2 GLN 24 1HG GLN 24 -9.729 -1.062 -0.499 171 HG3 GLN 24 2HG GLN 24 -8.903 -1.985 0.756 172 HE21 GLN 24 1HE2 GLN 24 -10.716 -1.586 2.107 173 HE22 GLN 24 2HE2 GLN 24 -10.897 -0.069 2.913 174 H SER 25 H SER 25 -6.908 -1.076 -3.313 175 HA SER 25 HA SER 25 -4.188 -0.854 -3.905 176 HB2 SER 25 1HB SER 25 -6.379 0.634 -5.357 177 HB3 SER 25 2HB SER 25 -4.852 0.045 -6.014 178 HG SER 25 HG SER 25 -5.717 -2.113 -5.375 179 H SER 26 H SER 26 -6.568 1.686 -3.184 180 HA SER 26 HA SER 26 -4.990 3.920 -3.505 181 HB2 SER 26 1HB SER 26 -6.460 4.969 -1.732 182 HB3 SER 26 2HB SER 26 -7.325 4.195 -3.060 183 HG SER 26 HG SER 26 -6.901 2.374 -1.173 184 H SER 27 H SER 27 -5.056 1.639 -0.847 185 HA SER 27 HA SER 27 -3.573 3.141 1.016 186 HB2 SER 27 1HB SER 27 -3.820 0.144 0.674 187 HB3 SER 27 2HB SER 27 -3.091 0.931 2.074 188 HG SER 27 HG SER 27 -5.338 2.109 1.909 189 H LEU 28 H LEU 28 -2.576 0.827 -1.474 190 HA LEU 28 HA LEU 28 0.175 0.842 -0.842 191 HB2 LEU 28 1HB LEU 28 -0.536 -0.944 -2.155 192 HB3 LEU 28 2HB LEU 28 -1.411 0.103 -3.270 193 HG LEU 28 HG LEU 28 0.681 0.857 -4.245 194 HD11 LEU 28 1HD1 LEU 28 2.280 0.876 -2.584 195 HD12 LEU 28 2HD1 LEU 28 2.752 -0.539 -3.524 196 HD13 LEU 28 3HD1 LEU 28 1.862 -0.741 -2.015 197 HD21 LEU 28 3HD2 LEU 28 -0.468 -1.285 -4.974 198 HD22 LEU 28 1HD2 LEU 28 0.783 -2.143 -4.074 199 HD23 LEU 28 2HD2 LEU 28 1.227 -1.105 -5.430 200 H THR 29 H THR 29 -1.731 2.697 -3.190 201 HA THR 29 HA THR 29 0.290 4.073 -4.473 202 HB THR 29 HB THR 29 -2.447 5.116 -3.717 203 HG1 THR 29 HG1 THR 29 -2.485 3.235 -5.029 204 HG21 THR 29 3HG2 THR 29 -0.913 6.081 -6.086 205 HG22 THR 29 1HG2 THR 29 -0.520 6.737 -4.497 206 HG23 THR 29 2HG2 THR 29 -2.155 6.900 -5.138 207 H VAL 30 H VAL 30 -1.614 5.350 -1.734 208 HA VAL 30 HA VAL 30 -0.077 7.608 -1.253 209 HB VAL 30 HB VAL 30 -2.276 7.205 -0.215 210 HG11 VAL 30 1HG1 VAL 30 -2.420 5.802 1.804 211 HG12 VAL 30 2HG1 VAL 30 -2.029 4.864 0.361 212 HG13 VAL 30 3HG1 VAL 30 -0.765 5.260 1.526 213 HG21 VAL 30 3HG2 VAL 30 -0.559 7.576 2.153 214 HG22 VAL 30 1HG2 VAL 30 -0.224 8.635 0.783 215 HG23 VAL 30 2HG2 VAL 30 -1.834 8.605 1.503 216 H HIS 31 H HIS 31 0.384 4.298 -0.163 217 HA HIS 31 HA HIS 31 2.416 4.830 1.733 218 HB2 HIS 31 1HB HIS 31 1.482 2.728 2.004 219 HB3 HIS 31 2HB HIS 31 1.466 2.396 0.275 220 HD1 HIS 31 HD1 HIS 31 3.694 2.276 3.281 221 HD2 HIS 31 HD2 HIS 31 3.796 1.248 -0.743 222 HE1 HIS 31 HE1 HIS 31 5.758 0.867 2.999 223 H GLN 32 H GLN 32 2.419 4.451 -1.728 224 HA GLN 32 HA GLN 32 5.164 3.919 -2.092 225 HB2 GLN 32 1HB GLN 32 3.111 3.867 -3.759 226 HB3 GLN 32 2HB GLN 32 3.642 5.506 -4.111 227 HG2 GLN 32 1HG GLN 32 4.695 4.164 -5.706 228 HG3 GLN 32 2HG GLN 32 5.941 4.520 -4.512 229 HE21 GLN 32 1HE2 GLN 32 3.309 2.146 -4.670 230 HE22 GLN 32 2HE2 GLN 32 4.311 0.763 -4.410 231 H ARG 33 H ARG 33 3.347 6.894 -1.692 232 HA ARG 33 HA ARG 33 5.186 8.771 -2.545 233 HB2 ARG 33 1HB ARG 33 3.340 8.975 -0.158 234 HB3 ARG 33 2HB ARG 33 4.107 10.329 -0.977 235 HG2 ARG 33 1HG ARG 33 2.774 10.105 -2.867 236 HG3 ARG 33 2HG ARG 33 2.329 8.443 -2.471 237 HD2 ARG 33 1HD ARG 33 0.408 9.577 -1.903 238 HD3 ARG 33 2HD ARG 33 1.257 9.533 -0.359 239 HE ARG 33 HE ARG 33 0.751 11.859 -2.010 240 HH11 ARG 33 1HH1 ARG 33 2.534 10.489 0.647 241 HH12 ARG 33 2HH1 ARG 33 2.905 12.025 1.360 242 HH21 ARG 33 1HH2 ARG 33 1.232 13.886 -1.082 243 HH22 ARG 33 2HH2 ARG 33 2.163 13.956 0.376 244 H ILE 34 H ILE 34 5.269 6.742 0.256 245 HA ILE 34 HA ILE 34 7.065 8.235 1.842 246 HB ILE 34 HB ILE 34 6.328 5.329 1.749 247 HG12 ILE 34 1HG1 ILE 34 5.815 6.094 4.241 248 HG13 ILE 34 2HG1 ILE 34 5.796 7.689 3.497 249 HG21 ILE 34 1HG2 ILE 34 8.635 5.224 2.300 250 HG22 ILE 34 2HG2 ILE 34 8.501 6.593 3.402 251 HG23 ILE 34 3HG2 ILE 34 7.740 5.056 3.811 252 HD11 ILE 34 3HD1 ILE 34 3.595 7.114 3.349 253 HD12 ILE 34 1HD1 ILE 34 4.183 6.528 1.793 254 HD13 ILE 34 2HD1 ILE 34 3.941 5.399 3.127 255 H HIS 35 H HIS 35 7.571 5.724 -0.605 256 HA HIS 35 HA HIS 35 10.416 5.696 -0.292 257 HB2 HIS 35 1HB HIS 35 8.800 4.685 -2.638 258 HB3 HIS 35 2HB HIS 35 10.437 4.212 -2.195 259 HD1 HIS 35 HD1 HIS 35 10.491 3.114 0.395 260 HD2 HIS 35 HD2 HIS 35 6.969 2.896 -1.798 261 HE1 HIS 35 HE1 HIS 35 9.154 1.266 1.453 262 H THR 36 H THR 36 8.135 7.337 -2.397 263 HA THR 36 HA THR 36 9.992 8.328 -4.276 264 HB THR 36 HB THR 36 8.274 9.903 -4.943 265 HG1 THR 36 HG1 THR 36 7.641 9.980 -2.445 266 HG21 THR 36 3HG2 THR 36 6.270 8.227 -4.995 267 HG22 THR 36 1HG2 THR 36 7.437 7.106 -4.294 268 HG23 THR 36 2HG2 THR 36 7.757 7.845 -5.863 269 H GLY 37 H GLY 37 8.989 9.440 -1.113 270 HA2 GLY 37 1HA GLY 37 10.436 11.959 -1.440 271 HA3 GLY 37 2HA GLY 37 9.435 11.507 -0.068 272 H GLU 38 H GLU 38 12.023 9.579 -1.497 273 HA GLU 38 HA GLU 38 13.677 10.091 0.874 274 HB2 GLU 38 1HB GLU 38 12.658 7.463 -0.122 275 HB3 GLU 38 2HB GLU 38 14.251 7.531 0.619 276 HG2 GLU 38 1HG GLU 38 11.670 8.402 1.898 277 HG3 GLU 38 2HG GLU 38 12.547 6.910 2.234 278 H LYS 39 H LYS 39 15.939 9.451 0.593 279 HA LYS 39 HA LYS 39 16.763 9.502 -2.237 280 HB2 LYS 39 1HB LYS 39 18.637 10.899 -1.655 281 HB3 LYS 39 2HB LYS 39 17.167 11.657 -1.057 282 HG2 LYS 39 1HG LYS 39 17.655 10.765 1.188 283 HG3 LYS 39 2HG LYS 39 19.166 10.096 0.567 284 HD2 LYS 39 1HD LYS 39 19.772 12.444 -0.139 285 HD3 LYS 39 2HD LYS 39 18.376 12.994 0.792 286 HE2 LYS 39 1HE LYS 39 19.310 12.273 2.820 287 HE3 LYS 39 2HE LYS 39 20.502 11.258 2.010 288 HZ1 LYS 39 3HZ LYS 39 20.757 13.986 1.237 289 HZ2 LYS 39 1HZ LYS 39 21.915 12.947 1.904 290 HZ3 LYS 39 2HZ LYS 39 20.877 13.819 2.916 291 HA PRO 40 HA PRO 40 19.013 5.814 -1.393 292 HB2 PRO 40 1HB PRO 40 20.847 5.960 -3.390 293 HB3 PRO 40 2HB PRO 40 19.150 5.554 -3.672 294 HG2 PRO 40 1HG PRO 40 20.554 8.175 -4.018 295 HG3 PRO 40 2HG PRO 40 19.367 7.394 -5.078 296 HD2 PRO 40 1HD PRO 40 18.706 9.390 -3.372 297 HD3 PRO 40 2HD PRO 40 17.581 8.084 -3.795 298 H SER 41 H SER 41 20.983 5.067 -0.551 299 HA SER 41 HA SER 41 22.333 6.511 1.262 300 HB2 SER 41 1HB SER 41 24.203 4.943 1.068 301 HB3 SER 41 2HB SER 41 22.669 4.089 0.905 302 HG SER 41 HG SER 41 24.192 4.992 -1.307 303 H GLY 42 H GLY 42 23.806 8.102 1.354 304 HA2 GLY 42 1HA GLY 42 25.669 8.637 -0.749 305 HA3 GLY 42 2HA GLY 42 24.344 9.791 -0.748 306 HA PRO 43 HA PRO 43 27.658 10.519 2.707 307 HB2 PRO 43 1HB PRO 43 29.688 11.721 1.363 308 HB3 PRO 43 2HB PRO 43 29.632 9.980 1.662 309 HG2 PRO 43 1HG PRO 43 28.894 11.502 -0.807 310 HG3 PRO 43 2HG PRO 43 29.803 9.988 -0.657 311 HD2 PRO 43 1HD PRO 43 27.183 10.052 -1.338 312 HD3 PRO 43 2HD PRO 43 27.895 8.720 -0.404 313 H SER 44 H SER 44 28.832 12.818 3.009 314 HA SER 44 HA SER 44 28.272 14.972 3.579 315 HB2 SER 44 1HB SER 44 28.176 14.834 0.582 316 HB3 SER 44 2HB SER 44 27.829 16.353 1.407 317 HG SER 44 HG SER 44 30.027 16.231 0.934 318 H SER 45 H SER 45 26.113 13.336 4.076 319 HA SER 45 HA SER 45 23.718 14.287 2.853 320 HB2 SER 45 1HB SER 45 24.254 12.656 5.336 321 HB3 SER 45 2HB SER 45 22.624 13.098 4.828 322 HG SER 45 HG SER 45 23.386 11.016 4.060 323 H GLY 46 H GLY 46 21.945 15.330 4.096 324 HA2 GLY 46 1HA GLY 46 23.047 17.580 5.624 325 HA3 GLY 46 2HA GLY 46 21.478 17.542 4.832 Start of MODEL 19 1 H1 GLY 1 H GLY 1 8.187 -29.916 2.161 2 HA2 GLY 1 1HA GLY 1 10.444 -30.625 0.593 3 HA3 GLY 1 2HA GLY 1 9.072 -30.273 -0.448 4 H SER 2 H SER 2 9.770 -28.394 -1.350 5 HA SER 2 HA SER 2 10.213 -26.146 0.504 6 HB2 SER 2 1HB SER 2 11.575 -26.773 -2.115 7 HB3 SER 2 2HB SER 2 11.609 -25.162 -1.399 8 HG SER 2 HG SER 2 12.648 -26.019 0.397 9 H SER 3 H SER 3 9.895 -23.982 -0.739 10 HA SER 3 HA SER 3 8.191 -22.584 -1.406 11 HB2 SER 3 1HB SER 3 7.900 -22.601 -3.771 12 HB3 SER 3 2HB SER 3 9.529 -23.212 -3.478 13 HG SER 3 HG SER 3 8.840 -25.260 -3.912 14 H GLY 4 H GLY 4 7.142 -24.577 0.222 15 HA2 GLY 4 1HA GLY 4 4.805 -25.694 -1.089 16 HA3 GLY 4 2HA GLY 4 5.257 -25.901 0.597 17 H SER 5 H SER 5 2.719 -25.530 0.367 18 HA SER 5 HA SER 5 1.625 -23.024 -0.003 19 HB2 SER 5 1HB SER 5 0.162 -24.886 0.314 20 HB3 SER 5 2HB SER 5 0.841 -25.233 1.904 21 HG SER 5 HG SER 5 -0.743 -23.008 1.145 22 H SER 6 H SER 6 2.303 -21.173 0.847 23 HA SER 6 HA SER 6 2.424 -20.882 3.727 24 HB2 SER 6 1HB SER 6 4.840 -20.614 1.958 25 HB3 SER 6 2HB SER 6 4.704 -19.664 3.438 26 HG SER 6 HG SER 6 5.785 -21.727 3.677 27 H GLY 7 H GLY 7 1.866 -18.865 4.391 28 HA2 GLY 7 1HA GLY 7 1.267 -16.643 4.278 29 HA3 GLY 7 2HA GLY 7 2.135 -16.542 2.753 30 H ALA 8 H ALA 8 0.671 -15.451 1.539 31 HA ALA 8 HA ALA 8 -1.756 -16.913 0.829 32 HB1 ALA 8 3HB ALA 8 -2.864 -14.507 0.838 33 HB2 ALA 8 1HB ALA 8 -2.864 -15.539 2.268 34 HB3 ALA 8 2HB ALA 8 -1.680 -14.240 2.117 35 H GLY 9 H GLY 9 -2.899 -15.621 -1.039 36 HA2 GLY 9 1HA GLY 9 -0.801 -14.597 -2.850 37 HA3 GLY 9 2HA GLY 9 -2.007 -15.755 -3.391 38 H LYS 10 H LYS 10 -3.855 -15.007 -4.227 39 HA LYS 10 HA LYS 10 -5.107 -13.375 -5.296 40 HB2 LYS 10 1HB LYS 10 -6.764 -12.651 -3.855 41 HB3 LYS 10 2HB LYS 10 -6.074 -13.988 -2.945 42 HG2 LYS 10 1HG LYS 10 -4.555 -12.026 -1.984 43 HG3 LYS 10 2HG LYS 10 -5.980 -11.080 -2.417 44 HD2 LYS 10 1HD LYS 10 -7.293 -12.088 -0.849 45 HD3 LYS 10 2HD LYS 10 -6.420 -13.619 -0.946 46 HE2 LYS 10 1HE LYS 10 -4.475 -12.202 0.109 47 HE3 LYS 10 2HE LYS 10 -5.802 -11.169 0.638 48 HZ1 LYS 10 3HZ LYS 10 -5.098 -12.969 2.224 49 HZ2 LYS 10 1HZ LYS 10 -5.760 -14.087 1.140 50 HZ3 LYS 10 2HZ LYS 10 -6.750 -12.922 1.861 51 H LYS 11 H LYS 11 -2.358 -12.564 -5.078 52 HA LYS 11 HA LYS 11 -2.347 -9.792 -4.268 53 HB2 LYS 11 1HB LYS 11 -0.396 -11.633 -4.359 54 HB3 LYS 11 2HB LYS 11 -0.146 -10.889 -5.933 55 HG2 LYS 11 1HG LYS 11 -0.366 -9.203 -3.474 56 HG3 LYS 11 2HG LYS 11 1.155 -9.992 -3.898 57 HD2 LYS 11 1HD LYS 11 -0.404 -8.128 -5.689 58 HD3 LYS 11 2HD LYS 11 1.025 -7.684 -4.751 59 HE2 LYS 11 1HE LYS 11 2.035 -8.153 -6.735 60 HE3 LYS 11 2HE LYS 11 2.043 -9.771 -6.036 61 HZ1 LYS 11 3HZ LYS 11 0.861 -8.942 -8.419 62 HZ2 LYS 11 1HZ LYS 11 -0.395 -9.366 -7.368 63 HZ3 LYS 11 2HZ LYS 11 0.824 -10.483 -7.722 64 H LEU 12 H LEU 12 -2.327 -8.007 -5.579 65 HA LEU 12 HA LEU 12 -2.804 -8.480 -8.448 66 HB2 LEU 12 1HB LEU 12 -3.971 -6.043 -7.872 67 HB3 LEU 12 2HB LEU 12 -4.805 -7.570 -8.152 68 HG LEU 12 HG LEU 12 -5.688 -6.552 -6.169 69 HD11 LEU 12 1HD1 LEU 12 -5.826 -8.508 -5.123 70 HD12 LEU 12 2HD1 LEU 12 -4.109 -8.499 -4.722 71 HD13 LEU 12 3HD1 LEU 12 -4.645 -9.115 -6.285 72 HD21 LEU 12 3HD2 LEU 12 -4.490 -5.522 -4.563 73 HD22 LEU 12 1HD2 LEU 12 -3.260 -5.427 -5.823 74 HD23 LEU 12 2HD2 LEU 12 -3.190 -6.713 -4.618 75 H PHE 13 H PHE 13 -1.589 -6.202 -6.022 76 HA PHE 13 HA PHE 13 0.328 -5.222 -8.017 77 HB2 PHE 13 1HB PHE 13 0.002 -2.936 -6.756 78 HB3 PHE 13 2HB PHE 13 -1.087 -3.397 -8.061 79 HD1 PHE 13 HD1 PHE 13 -0.775 -3.799 -4.364 80 HD2 PHE 13 HD2 PHE 13 -3.337 -3.155 -7.702 81 HE1 PHE 13 HE1 PHE 13 -2.693 -3.557 -2.841 82 HE2 PHE 13 HE2 PHE 13 -5.258 -2.911 -6.184 83 HZ PHE 13 HZ PHE 13 -4.937 -3.111 -3.750 84 H LYS 14 H LYS 14 2.348 -4.699 -7.235 85 HA LYS 14 HA LYS 14 2.807 -4.971 -4.351 86 HB2 LYS 14 1HB LYS 14 4.630 -6.486 -4.644 87 HB3 LYS 14 2HB LYS 14 3.255 -7.154 -5.513 88 HG2 LYS 14 1HG LYS 14 4.161 -6.521 -7.610 89 HG3 LYS 14 2HG LYS 14 5.411 -5.538 -6.845 90 HD2 LYS 14 1HD LYS 14 5.186 -8.507 -6.412 91 HD3 LYS 14 2HD LYS 14 6.136 -7.805 -7.724 92 HE2 LYS 14 1HE LYS 14 7.734 -8.044 -6.086 93 HE3 LYS 14 2HE LYS 14 7.199 -6.387 -5.807 94 HZ1 LYS 14 3HZ LYS 14 7.196 -8.500 -4.003 95 HZ2 LYS 14 1HZ LYS 14 5.574 -8.157 -4.339 96 HZ3 LYS 14 2HZ LYS 14 6.594 -6.937 -3.765 97 H CYS 15 H CYS 15 4.486 -3.754 -3.539 98 HA CYS 15 HA CYS 15 5.336 -1.543 -5.168 99 HB2 CYS 15 1HB CYS 15 4.740 -1.289 -2.770 100 HB3 CYS 15 2HB CYS 15 6.143 -2.262 -2.342 101 H ASN 16 H ASN 16 7.098 -1.471 -6.382 102 HA ASN 16 HA ASN 16 9.065 -3.587 -6.218 103 HB2 ASN 16 1HB ASN 16 8.438 -1.394 -8.142 104 HB3 ASN 16 2HB ASN 16 10.071 -2.055 -8.144 105 HD21 ASN 16 1HD2 ASN 16 10.314 -3.503 -9.670 106 HD22 ASN 16 2HD2 ASN 16 9.146 -4.675 -10.166 107 H GLU 17 H GLU 17 8.832 -1.580 -4.046 108 HA GLU 17 HA GLU 17 11.597 -0.565 -4.141 109 HB2 GLU 17 1HB GLU 17 9.370 0.732 -2.578 110 HB3 GLU 17 2HB GLU 17 10.963 1.383 -2.935 111 HG2 GLU 17 1HG GLU 17 10.140 1.134 -5.421 112 HG3 GLU 17 2HG GLU 17 8.552 1.210 -4.659 113 H CYS 18 H CYS 18 8.961 -1.566 -1.975 114 HA CYS 18 HA CYS 18 11.006 -2.585 -0.112 115 HB2 CYS 18 1HB CYS 18 9.506 -2.101 1.736 116 HB3 CYS 18 2HB CYS 18 9.776 -0.636 0.798 117 H LYS 19 H LYS 19 8.636 -3.432 -2.251 118 HA LYS 19 HA LYS 19 7.540 -5.368 -2.722 119 HB2 LYS 19 1HB LYS 19 9.718 -6.271 -0.893 120 HB3 LYS 19 2HB LYS 19 8.439 -7.411 -1.288 121 HG2 LYS 19 1HG LYS 19 10.235 -7.762 -2.808 122 HG3 LYS 19 2HG LYS 19 8.913 -7.004 -3.699 123 HD2 LYS 19 1HD LYS 19 10.622 -5.698 -4.442 124 HD3 LYS 19 2HD LYS 19 10.221 -4.799 -2.976 125 HE2 LYS 19 1HE LYS 19 12.171 -7.019 -2.728 126 HE3 LYS 19 2HE LYS 19 12.707 -5.562 -3.563 127 HZ1 LYS 19 3HZ LYS 19 11.429 -5.481 -0.894 128 HZ2 LYS 19 1HZ LYS 19 12.310 -4.261 -1.666 129 HZ3 LYS 19 2HZ LYS 19 13.101 -5.641 -1.093 130 H LYS 20 H LYS 20 6.026 -3.816 -1.257 131 HA LYS 20 HA LYS 20 4.880 -5.573 0.814 132 HB2 LYS 20 1HB LYS 20 5.879 -3.458 1.700 133 HB3 LYS 20 2HB LYS 20 4.722 -2.556 0.731 134 HG2 LYS 20 1HG LYS 20 3.602 -2.577 2.700 135 HG3 LYS 20 2HG LYS 20 2.999 -4.094 2.027 136 HD2 LYS 20 1HD LYS 20 3.616 -4.687 4.189 137 HD3 LYS 20 2HD LYS 20 5.021 -5.163 3.231 138 HE2 LYS 20 1HE LYS 20 5.949 -4.054 5.058 139 HE3 LYS 20 2HE LYS 20 5.937 -2.829 3.790 140 HZ1 LYS 20 3HZ LYS 20 3.513 -2.800 5.278 141 HZ2 LYS 20 1HZ LYS 20 4.615 -1.546 5.001 142 HZ3 LYS 20 2HZ LYS 20 4.847 -2.605 6.300 143 H THR 21 H THR 21 2.585 -5.588 1.006 144 HA THR 21 HA THR 21 1.108 -4.455 -1.263 145 HB THR 21 HB THR 21 -0.182 -6.565 -1.492 146 HG1 THR 21 HG1 THR 21 0.705 -7.252 0.735 147 HG21 THR 21 3HG2 THR 21 1.718 -6.056 -2.988 148 HG22 THR 21 1HG2 THR 21 1.504 -7.788 -2.739 149 HG23 THR 21 2HG2 THR 21 2.790 -6.928 -1.892 150 H PHE 22 H PHE 22 -1.307 -4.665 -0.914 151 HA PHE 22 HA PHE 22 -2.121 -4.795 1.876 152 HB2 PHE 22 1HB PHE 22 -2.776 -2.329 0.268 153 HB3 PHE 22 2HB PHE 22 -3.020 -2.598 1.990 154 HD1 PHE 22 HD1 PHE 22 -0.389 -2.216 -0.596 155 HD2 PHE 22 HD2 PHE 22 -1.394 -1.964 3.533 156 HE1 PHE 22 HE1 PHE 22 1.792 -1.175 -0.132 157 HE2 PHE 22 HE2 PHE 22 0.784 -0.922 4.003 158 HZ PHE 22 HZ PHE 22 2.380 -0.525 2.170 159 H THR 23 H THR 23 -4.404 -4.944 2.162 160 HA THR 23 HA THR 23 -5.737 -6.582 0.399 161 HB THR 23 HB THR 23 -7.015 -4.620 2.314 162 HG1 THR 23 HG1 THR 23 -5.810 -5.907 3.581 163 HG21 THR 23 3HG2 THR 23 -8.945 -6.034 2.266 164 HG22 THR 23 1HG2 THR 23 -8.119 -7.222 1.260 165 HG23 THR 23 2HG2 THR 23 -8.534 -5.641 0.597 166 H GLN 24 H GLN 24 -5.675 -3.066 0.502 167 HA GLN 24 HA GLN 24 -7.242 -3.029 -1.993 168 HB2 GLN 24 1HB GLN 24 -7.124 -0.973 0.216 169 HB3 GLN 24 2HB GLN 24 -7.897 -0.700 -1.340 170 HG2 GLN 24 1HG GLN 24 -8.684 -2.986 0.431 171 HG3 GLN 24 2HG GLN 24 -9.372 -1.374 0.625 172 HE21 GLN 24 1HE2 GLN 24 -11.270 -2.930 0.173 173 HE22 GLN 24 2HE2 GLN 24 -11.777 -3.013 -1.477 174 H SER 25 H SER 25 -6.790 -0.976 -3.298 175 HA SER 25 HA SER 25 -3.953 -0.890 -3.798 176 HB2 SER 25 1HB SER 25 -4.493 0.293 -5.791 177 HB3 SER 25 2HB SER 25 -5.769 -0.907 -5.585 178 HG SER 25 HG SER 25 -5.875 1.870 -5.051 179 H SER 26 H SER 26 -6.448 1.450 -2.836 180 HA SER 26 HA SER 26 -5.130 3.795 -2.750 181 HB2 SER 26 1HB SER 26 -7.486 3.232 -1.879 182 HB3 SER 26 2HB SER 26 -6.699 2.909 -0.333 183 HG SER 26 HG SER 26 -7.418 5.065 -0.461 184 H SER 27 H SER 27 -4.768 1.175 -0.403 185 HA SER 27 HA SER 27 -3.078 2.516 1.395 186 HB2 SER 27 1HB SER 27 -4.293 0.163 1.516 187 HB3 SER 27 2HB SER 27 -2.733 -0.417 0.933 188 HG SER 27 HG SER 27 -3.180 -0.146 3.342 189 H LEU 28 H LEU 28 -2.394 0.641 -1.516 190 HA LEU 28 HA LEU 28 0.427 0.647 -1.229 191 HB2 LEU 28 1HB LEU 28 -0.416 -0.992 -2.652 192 HB3 LEU 28 2HB LEU 28 -1.453 0.150 -3.504 193 HG LEU 28 HG LEU 28 0.507 1.111 -4.607 194 HD11 LEU 28 1HD1 LEU 28 2.038 -1.012 -3.112 195 HD12 LEU 28 2HD1 LEU 28 2.170 0.732 -2.891 196 HD13 LEU 28 3HD1 LEU 28 2.688 -0.006 -4.407 197 HD21 LEU 28 3HD2 LEU 28 0.017 -0.383 -6.173 198 HD22 LEU 28 1HD2 LEU 28 -0.504 -1.551 -4.959 199 HD23 LEU 28 2HD2 LEU 28 1.191 -1.478 -5.442 200 H THR 29 H THR 29 -1.784 2.642 -3.174 201 HA THR 29 HA THR 29 0.106 4.273 -4.396 202 HB THR 29 HB THR 29 -2.694 5.009 -3.520 203 HG1 THR 29 HG1 THR 29 -1.852 4.298 -6.130 204 HG21 THR 29 3HG2 THR 29 -0.765 6.754 -4.347 205 HG22 THR 29 1HG2 THR 29 -2.498 6.994 -4.562 206 HG23 THR 29 2HG2 THR 29 -1.532 6.319 -5.874 207 H VAL 30 H VAL 30 -1.905 5.245 -1.611 208 HA VAL 30 HA VAL 30 -0.563 7.539 -0.919 209 HB VAL 30 HB VAL 30 -2.676 6.814 0.126 210 HG11 VAL 30 1HG1 VAL 30 -1.484 5.231 2.241 211 HG12 VAL 30 2HG1 VAL 30 -2.906 4.903 1.248 212 HG13 VAL 30 3HG1 VAL 30 -1.300 4.470 0.661 213 HG21 VAL 30 3HG2 VAL 30 -1.895 8.552 1.360 214 HG22 VAL 30 1HG2 VAL 30 -1.773 7.298 2.595 215 HG23 VAL 30 2HG2 VAL 30 -0.344 7.774 1.678 216 H HIS 31 H HIS 31 0.361 4.228 -0.327 217 HA HIS 31 HA HIS 31 2.396 4.845 1.596 218 HB2 HIS 31 1HB HIS 31 1.751 2.667 1.883 219 HB3 HIS 31 2HB HIS 31 1.458 2.414 0.165 220 HD1 HIS 31 HD1 HIS 31 4.392 2.737 2.555 221 HD2 HIS 31 HD2 HIS 31 3.417 1.022 -1.102 222 HE1 HIS 31 HE1 HIS 31 6.395 1.364 1.900 223 H GLN 32 H GLN 32 2.228 4.528 -1.877 224 HA GLN 32 HA GLN 32 4.974 4.252 -2.418 225 HB2 GLN 32 1HB GLN 32 2.814 4.112 -3.958 226 HB3 GLN 32 2HB GLN 32 3.239 5.785 -4.296 227 HG2 GLN 32 1HG GLN 32 4.423 4.808 -5.947 228 HG3 GLN 32 2HG GLN 32 5.630 4.687 -4.668 229 HE21 GLN 32 1HE2 GLN 32 4.420 2.616 -3.195 230 HE22 GLN 32 2HE2 GLN 32 4.537 1.162 -4.119 231 H ARG 33 H ARG 33 2.986 7.035 -1.703 232 HA ARG 33 HA ARG 33 4.604 9.094 -2.624 233 HB2 ARG 33 1HB ARG 33 2.887 9.026 -0.136 234 HB3 ARG 33 2HB ARG 33 3.536 10.484 -0.874 235 HG2 ARG 33 1HG ARG 33 2.112 10.364 -2.684 236 HG3 ARG 33 2HG ARG 33 1.845 8.630 -2.489 237 HD2 ARG 33 1HD ARG 33 0.590 9.091 -0.414 238 HD3 ARG 33 2HD ARG 33 0.807 10.819 -0.692 239 HE ARG 33 HE ARG 33 -1.014 9.044 -2.069 240 HH11 ARG 33 1HH1 ARG 33 0.626 12.115 -2.082 241 HH12 ARG 33 2HH1 ARG 33 -0.505 12.862 -3.161 242 HH21 ARG 33 1HH2 ARG 33 -2.510 10.016 -3.491 243 HH22 ARG 33 2HH2 ARG 33 -2.289 11.667 -3.961 244 H ILE 34 H ILE 34 5.005 6.997 0.112 245 HA ILE 34 HA ILE 34 6.802 8.558 1.620 246 HB ILE 34 HB ILE 34 6.270 5.610 1.466 247 HG12 ILE 34 1HG1 ILE 34 5.871 6.246 4.010 248 HG13 ILE 34 2HG1 ILE 34 5.700 7.864 3.341 249 HG21 ILE 34 1HG2 ILE 34 8.397 6.947 3.133 250 HG22 ILE 34 2HG2 ILE 34 7.851 5.282 3.328 251 HG23 ILE 34 3HG2 ILE 34 8.654 5.778 1.838 252 HD11 ILE 34 3HD1 ILE 34 3.895 5.575 3.217 253 HD12 ILE 34 1HD1 ILE 34 3.557 7.302 3.094 254 HD13 ILE 34 2HD1 ILE 34 4.114 6.408 1.678 255 H HIS 35 H HIS 35 7.379 6.027 -0.813 256 HA HIS 35 HA HIS 35 10.208 6.244 -0.727 257 HB2 HIS 35 1HB HIS 35 8.519 5.199 -3.005 258 HB3 HIS 35 2HB HIS 35 10.210 4.827 -2.683 259 HD1 HIS 35 HD1 HIS 35 10.449 3.732 -0.060 260 HD2 HIS 35 HD2 HIS 35 6.929 3.184 -2.198 261 HE1 HIS 35 HE1 HIS 35 9.326 1.743 0.992 262 H THR 36 H THR 36 7.704 7.763 -2.674 263 HA THR 36 HA THR 36 9.420 8.961 -4.578 264 HB THR 36 HB THR 36 7.539 10.374 -5.176 265 HG1 THR 36 HG1 THR 36 6.946 10.423 -2.716 266 HG21 THR 36 3HG2 THR 36 6.945 7.498 -4.565 267 HG22 THR 36 1HG2 THR 36 7.276 8.257 -6.121 268 HG23 THR 36 2HG2 THR 36 5.731 8.532 -5.316 269 H GLY 37 H GLY 37 8.294 9.941 -1.399 270 HA2 GLY 37 1HA GLY 37 9.880 12.420 -1.664 271 HA3 GLY 37 2HA GLY 37 8.476 12.257 -0.619 272 H GLU 38 H GLU 38 11.284 10.125 -1.076 273 HA GLU 38 HA GLU 38 11.639 10.067 1.819 274 HB2 GLU 38 1HB GLU 38 12.982 8.126 1.487 275 HB3 GLU 38 2HB GLU 38 11.573 7.959 0.449 276 HG2 GLU 38 1HG GLU 38 12.974 8.827 -1.436 277 HG3 GLU 38 2HG GLU 38 14.367 8.712 -0.362 278 H LYS 39 H LYS 39 13.747 10.313 2.778 279 HA LYS 39 HA LYS 39 15.187 12.535 1.632 280 HB2 LYS 39 1HB LYS 39 16.394 12.602 3.719 281 HB3 LYS 39 2HB LYS 39 14.683 12.382 4.062 282 HG2 LYS 39 1HG LYS 39 14.967 10.236 4.814 283 HG3 LYS 39 2HG LYS 39 16.431 9.980 3.861 284 HD2 LYS 39 1HD LYS 39 16.405 11.985 6.085 285 HD3 LYS 39 2HD LYS 39 16.616 10.268 6.436 286 HE2 LYS 39 1HE LYS 39 18.626 10.153 5.257 287 HE3 LYS 39 2HE LYS 39 18.295 11.638 4.365 288 HZ1 LYS 39 3HZ LYS 39 19.290 11.300 7.104 289 HZ2 LYS 39 1HZ LYS 39 18.375 12.675 6.738 290 HZ3 LYS 39 2HZ LYS 39 19.808 12.364 5.895 291 HA PRO 40 HA PRO 40 18.374 10.227 -0.345 292 HB2 PRO 40 1HB PRO 40 20.315 12.125 -0.381 293 HB3 PRO 40 2HB PRO 40 18.900 12.178 -1.439 294 HG2 PRO 40 1HG PRO 40 19.402 13.635 1.127 295 HG3 PRO 40 2HG PRO 40 18.693 14.239 -0.382 296 HD2 PRO 40 1HD PRO 40 17.188 13.540 1.757 297 HD3 PRO 40 2HD PRO 40 16.621 13.344 0.086 298 H SER 41 H SER 41 19.109 8.601 0.938 299 HA SER 41 HA SER 41 21.202 9.298 2.890 300 HB2 SER 41 1HB SER 41 18.915 8.482 3.825 301 HB3 SER 41 2HB SER 41 19.434 6.894 3.259 302 HG SER 41 HG SER 41 21.358 7.226 4.537 303 H GLY 42 H GLY 42 21.723 8.712 0.213 304 HA2 GLY 42 1HA GLY 42 22.953 7.322 -1.144 305 HA3 GLY 42 2HA GLY 42 23.752 6.854 0.350 306 HA PRO 43 HA PRO 43 20.170 3.691 -0.578 307 HB2 PRO 43 1HB PRO 43 19.433 3.574 -3.188 308 HB3 PRO 43 2HB PRO 43 18.627 4.614 -2.008 309 HG2 PRO 43 1HG PRO 43 20.723 5.311 -4.029 310 HG3 PRO 43 2HG PRO 43 19.255 6.202 -3.587 311 HD2 PRO 43 1HD PRO 43 21.705 6.876 -2.652 312 HD3 PRO 43 2HD PRO 43 20.223 7.112 -1.704 313 H SER 44 H SER 44 20.911 1.665 -0.720 314 HA SER 44 HA SER 44 23.366 1.145 -2.148 315 HB2 SER 44 1HB SER 44 21.697 -0.325 -0.157 316 HB3 SER 44 2HB SER 44 22.796 -1.260 -1.172 317 HG SER 44 HG SER 44 23.428 -0.022 1.002 318 H SER 45 H SER 45 20.026 -0.059 -2.245 319 HA SER 45 HA SER 45 20.388 -1.878 -4.356 320 HB2 SER 45 1HB SER 45 17.856 -0.375 -3.651 321 HB3 SER 45 2HB SER 45 17.966 -1.891 -4.546 322 HG SER 45 HG SER 45 17.608 -1.725 -2.036 323 H GLY 46 H GLY 46 20.432 -1.665 -6.521 324 HA2 GLY 46 1HA GLY 46 19.424 0.698 -7.836 325 HA3 GLY 46 2HA GLY 46 21.178 0.587 -7.833 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.643 -25.827 -3.191 2 HA2 GLY 1 1HA GLY 1 14.071 -23.949 -3.991 3 HA3 GLY 1 2HA GLY 1 13.620 -24.770 -2.504 4 H SER 2 H SER 2 14.274 -21.806 -3.921 5 HA SER 2 HA SER 2 14.867 -20.521 -1.349 6 HB2 SER 2 1HB SER 2 15.368 -18.506 -2.747 7 HB3 SER 2 2HB SER 2 16.396 -19.891 -3.113 8 HG SER 2 HG SER 2 15.180 -18.577 -4.872 9 H SER 3 H SER 3 12.778 -20.040 -4.198 10 HA SER 3 HA SER 3 10.656 -19.111 -2.403 11 HB2 SER 3 1HB SER 3 10.141 -17.213 -3.831 12 HB3 SER 3 2HB SER 3 11.825 -17.113 -3.317 13 HG SER 3 HG SER 3 11.309 -18.452 -5.699 14 H GLY 4 H GLY 4 8.518 -19.005 -3.535 15 HA2 GLY 4 1HA GLY 4 7.458 -19.744 -5.733 16 HA3 GLY 4 2HA GLY 4 8.340 -21.238 -5.454 17 H SER 5 H SER 5 5.756 -19.172 -4.261 18 HA SER 5 HA SER 5 4.586 -21.535 -2.952 19 HB2 SER 5 1HB SER 5 4.504 -18.692 -1.911 20 HB3 SER 5 2HB SER 5 3.708 -20.082 -1.173 21 HG SER 5 HG SER 5 5.563 -20.742 -0.393 22 H SER 6 H SER 6 3.215 -21.966 -4.667 23 HA SER 6 HA SER 6 1.284 -19.866 -5.379 24 HB2 SER 6 1HB SER 6 2.239 -22.331 -6.824 25 HB3 SER 6 2HB SER 6 0.747 -21.514 -7.290 26 HG SER 6 HG SER 6 3.055 -20.907 -8.165 27 H GLY 7 H GLY 7 -0.430 -19.969 -4.062 28 HA2 GLY 7 1HA GLY 7 -2.351 -21.941 -4.210 29 HA3 GLY 7 2HA GLY 7 -1.338 -22.386 -2.845 30 H ALA 8 H ALA 8 -0.953 -20.573 -1.238 31 HA ALA 8 HA ALA 8 -3.494 -19.140 -0.829 32 HB1 ALA 8 3HB ALA 8 -3.471 -19.736 1.327 33 HB2 ALA 8 1HB ALA 8 -2.284 -20.944 0.833 34 HB3 ALA 8 2HB ALA 8 -1.748 -19.401 1.498 35 H GLY 9 H GLY 9 -2.655 -17.417 -2.212 36 HA2 GLY 9 1HA GLY 9 -1.408 -15.363 -0.637 37 HA3 GLY 9 2HA GLY 9 -0.365 -15.958 -1.920 38 H LYS 10 H LYS 10 -3.457 -14.416 -1.234 39 HA LYS 10 HA LYS 10 -4.025 -13.836 -3.983 40 HB2 LYS 10 1HB LYS 10 -5.929 -12.645 -3.175 41 HB3 LYS 10 2HB LYS 10 -5.757 -14.082 -2.175 42 HG2 LYS 10 1HG LYS 10 -4.575 -12.645 -0.490 43 HG3 LYS 10 2HG LYS 10 -5.048 -11.249 -1.461 44 HD2 LYS 10 1HD LYS 10 -7.066 -13.253 -0.498 45 HD3 LYS 10 2HD LYS 10 -6.548 -11.904 0.515 46 HE2 LYS 10 1HE LYS 10 -7.624 -11.567 -2.278 47 HE3 LYS 10 2HE LYS 10 -8.637 -11.513 -0.836 48 HZ1 LYS 10 3HZ LYS 10 -6.294 -9.742 -1.239 49 HZ2 LYS 10 1HZ LYS 10 -7.497 -9.609 -0.057 50 HZ3 LYS 10 2HZ LYS 10 -7.869 -9.309 -1.679 51 H LYS 11 H LYS 11 -2.934 -12.396 -5.133 52 HA LYS 11 HA LYS 11 -2.155 -9.867 -3.848 53 HB2 LYS 11 1HB LYS 11 -0.297 -11.697 -4.412 54 HB3 LYS 11 2HB LYS 11 -0.420 -10.963 -6.006 55 HG2 LYS 11 1HG LYS 11 -0.076 -9.211 -3.620 56 HG3 LYS 11 2HG LYS 11 1.315 -10.085 -4.267 57 HD2 LYS 11 1HD LYS 11 -0.476 -8.367 -5.972 58 HD3 LYS 11 2HD LYS 11 0.956 -7.740 -5.153 59 HE2 LYS 11 1HE LYS 11 0.972 -10.059 -7.079 60 HE3 LYS 11 2HE LYS 11 1.340 -8.394 -7.527 61 HZ1 LYS 11 3HZ LYS 11 2.815 -9.784 -5.373 62 HZ2 LYS 11 1HZ LYS 11 3.268 -8.401 -6.237 63 HZ3 LYS 11 2HZ LYS 11 3.282 -9.913 -6.994 64 H LEU 12 H LEU 12 -2.340 -8.030 -5.095 65 HA LEU 12 HA LEU 12 -3.336 -8.361 -7.839 66 HB2 LEU 12 1HB LEU 12 -4.727 -6.191 -7.042 67 HB3 LEU 12 2HB LEU 12 -5.364 -7.834 -7.048 68 HG LEU 12 HG LEU 12 -5.906 -6.629 -4.982 69 HD11 LEU 12 1HD1 LEU 12 -4.817 -9.196 -5.230 70 HD12 LEU 12 2HD1 LEU 12 -5.863 -8.589 -3.947 71 HD13 LEU 12 3HD1 LEU 12 -4.111 -8.510 -3.766 72 HD21 LEU 12 3HD2 LEU 12 -3.138 -6.756 -3.980 73 HD22 LEU 12 1HD2 LEU 12 -4.406 -5.568 -3.677 74 HD23 LEU 12 2HD2 LEU 12 -3.469 -5.496 -5.169 75 H PHE 13 H PHE 13 -1.786 -6.344 -5.425 76 HA PHE 13 HA PHE 13 -0.521 -4.827 -7.598 77 HB2 PHE 13 1HB PHE 13 -1.231 -3.447 -5.033 78 HB3 PHE 13 2HB PHE 13 -0.916 -2.751 -6.619 79 HD1 PHE 13 HD2 PHE 13 -2.682 -4.038 -8.419 80 HD2 PHE 13 HD1 PHE 13 -3.364 -2.968 -4.356 81 HE1 PHE 13 HE2 PHE 13 -5.101 -3.937 -8.855 82 HE2 PHE 13 HE1 PHE 13 -5.784 -2.867 -4.786 83 HZ PHE 13 HZ PHE 13 -6.656 -3.351 -7.038 84 H LYS 14 H LYS 14 1.609 -4.282 -7.280 85 HA LYS 14 HA LYS 14 2.844 -5.159 -4.756 86 HB2 LYS 14 1HB LYS 14 3.117 -6.644 -6.935 87 HB3 LYS 14 2HB LYS 14 4.352 -5.451 -7.315 88 HG2 LYS 14 1HG LYS 14 5.304 -5.937 -5.005 89 HG3 LYS 14 2HG LYS 14 4.242 -7.347 -4.995 90 HD2 LYS 14 1HD LYS 14 6.281 -8.163 -5.806 91 HD3 LYS 14 2HD LYS 14 5.300 -7.927 -7.255 92 HE2 LYS 14 1HE LYS 14 6.496 -6.054 -7.913 93 HE3 LYS 14 2HE LYS 14 7.094 -5.740 -6.285 94 HZ1 LYS 14 3HZ LYS 14 8.358 -7.143 -8.338 95 HZ2 LYS 14 1HZ LYS 14 8.014 -8.257 -7.112 96 HZ3 LYS 14 2HZ LYS 14 8.918 -6.870 -6.765 97 H CYS 15 H CYS 15 4.362 -3.830 -3.908 98 HA CYS 15 HA CYS 15 4.702 -1.239 -5.182 99 HB2 CYS 15 1HB CYS 15 4.152 -1.139 -2.862 100 HB3 CYS 15 2HB CYS 15 5.408 -2.301 -2.446 101 H ASN 16 H ASN 16 6.344 -0.894 -6.512 102 HA ASN 16 HA ASN 16 8.645 -2.631 -6.536 103 HB2 ASN 16 1HB ASN 16 7.678 -1.829 -8.643 104 HB3 ASN 16 2HB ASN 16 8.022 -0.166 -8.178 105 HD21 ASN 16 1HD2 ASN 16 9.777 -3.251 -8.309 106 HD22 ASN 16 2HD2 ASN 16 11.177 -2.614 -9.096 107 H GLU 17 H GLU 17 8.454 -1.285 -4.106 108 HA GLU 17 HA GLU 17 10.893 0.345 -4.209 109 HB2 GLU 17 1HB GLU 17 8.603 1.027 -2.375 110 HB3 GLU 17 2HB GLU 17 10.023 1.994 -2.747 111 HG2 GLU 17 1HG GLU 17 9.018 1.840 -5.195 112 HG3 GLU 17 2HG GLU 17 7.523 1.618 -4.287 113 H CYS 18 H CYS 18 8.624 -1.423 -2.128 114 HA CYS 18 HA CYS 18 10.932 -2.371 -0.568 115 HB2 CYS 18 1HB CYS 18 9.658 -2.209 1.485 116 HB3 CYS 18 2HB CYS 18 9.681 -0.635 0.695 117 H LYS 19 H LYS 19 8.912 -3.354 -2.742 118 HA LYS 19 HA LYS 19 7.833 -5.284 -3.298 119 HB2 LYS 19 1HB LYS 19 9.628 -6.592 -1.257 120 HB3 LYS 19 2HB LYS 19 8.956 -7.306 -2.717 121 HG2 LYS 19 1HG LYS 19 11.065 -5.164 -2.568 122 HG3 LYS 19 2HG LYS 19 11.294 -6.850 -3.038 123 HD2 LYS 19 1HD LYS 19 9.728 -6.460 -4.939 124 HD3 LYS 19 2HD LYS 19 9.704 -4.749 -4.506 125 HE2 LYS 19 1HE LYS 19 12.340 -6.067 -4.903 126 HE3 LYS 19 2HE LYS 19 11.368 -5.705 -6.328 127 HZ1 LYS 19 3HZ LYS 19 11.507 -3.508 -4.495 128 HZ2 LYS 19 1HZ LYS 19 11.822 -3.548 -6.157 129 HZ3 LYS 19 2HZ LYS 19 13.033 -3.974 -5.057 130 H LYS 20 H LYS 20 6.363 -3.851 -1.517 131 HA LYS 20 HA LYS 20 5.309 -5.886 0.336 132 HB2 LYS 20 1HB LYS 20 6.199 -3.809 1.399 133 HB3 LYS 20 2HB LYS 20 4.987 -2.886 0.521 134 HG2 LYS 20 1HG LYS 20 3.212 -4.062 1.681 135 HG3 LYS 20 2HG LYS 20 4.400 -5.061 2.521 136 HD2 LYS 20 1HD LYS 20 4.539 -2.079 2.721 137 HD3 LYS 20 2HD LYS 20 3.387 -2.978 3.712 138 HE2 LYS 20 1HE LYS 20 5.278 -4.366 4.538 139 HE3 LYS 20 2HE LYS 20 6.383 -3.324 3.644 140 HZ1 LYS 20 3HZ LYS 20 6.394 -2.449 5.775 141 HZ2 LYS 20 1HZ LYS 20 4.731 -2.668 5.999 142 HZ3 LYS 20 2HZ LYS 20 5.292 -1.447 4.972 143 H THR 21 H THR 21 2.930 -5.690 0.746 144 HA THR 21 HA THR 21 1.465 -4.772 -1.633 145 HB THR 21 HB THR 21 -0.014 -6.817 -1.359 146 HG1 THR 21 HG1 THR 21 1.439 -8.598 -0.399 147 HG21 THR 21 3HG2 THR 21 2.344 -8.176 -2.147 148 HG22 THR 21 1HG2 THR 21 2.497 -6.502 -2.676 149 HG23 THR 21 2HG2 THR 21 1.103 -7.460 -3.175 150 H PHE 22 H PHE 22 -0.878 -4.546 -1.258 151 HA PHE 22 HA PHE 22 -1.601 -4.156 1.556 152 HB2 PHE 22 1HB PHE 22 -1.832 -2.101 -0.643 153 HB3 PHE 22 2HB PHE 22 -2.739 -1.995 0.862 154 HD1 PHE 22 HD1 PHE 22 0.775 -2.509 -0.284 155 HD2 PHE 22 HD2 PHE 22 -1.853 -0.716 2.544 156 HE1 PHE 22 HE1 PHE 22 2.691 -1.397 0.786 157 HE2 PHE 22 HE2 PHE 22 0.059 0.400 3.618 158 HZ PHE 22 HZ PHE 22 2.334 0.061 2.738 159 H THR 23 H THR 23 -3.870 -4.154 1.970 160 HA THR 23 HA THR 23 -5.333 -6.104 0.702 161 HB THR 23 HB THR 23 -5.993 -5.293 2.880 162 HG1 THR 23 HG1 THR 23 -8.068 -5.639 2.490 163 HG21 THR 23 3HG2 THR 23 -6.887 -3.135 3.298 164 HG22 THR 23 1HG2 THR 23 -6.987 -2.764 1.578 165 HG23 THR 23 2HG2 THR 23 -5.413 -2.881 2.365 166 H GLN 24 H GLN 24 -5.151 -2.676 -0.054 167 HA GLN 24 HA GLN 24 -6.544 -3.218 -2.574 168 HB2 GLN 24 1HB GLN 24 -7.148 -0.855 -0.788 169 HB3 GLN 24 2HB GLN 24 -7.841 -1.150 -2.377 170 HG2 GLN 24 1HG GLN 24 -8.188 -2.968 -0.005 171 HG3 GLN 24 2HG GLN 24 -9.341 -1.729 -0.496 172 HE21 GLN 24 1HE2 GLN 24 -9.608 -4.652 -0.313 173 HE22 GLN 24 2HE2 GLN 24 -10.117 -5.172 -1.880 174 H SER 25 H SER 25 -6.411 -1.073 -3.962 175 HA SER 25 HA SER 25 -3.600 -0.562 -4.283 176 HB2 SER 25 1HB SER 25 -4.268 0.693 -6.278 177 HB3 SER 25 2HB SER 25 -5.083 -0.871 -6.233 178 HG SER 25 HG SER 25 -6.125 1.674 -6.061 179 H SER 26 H SER 26 -6.445 1.520 -3.749 180 HA SER 26 HA SER 26 -5.377 3.974 -3.537 181 HB2 SER 26 1HB SER 26 -7.076 4.517 -1.842 182 HB3 SER 26 2HB SER 26 -7.752 3.504 -3.117 183 HG SER 26 HG SER 26 -8.367 2.312 -1.495 184 H SER 27 H SER 27 -5.128 1.446 -1.085 185 HA SER 27 HA SER 27 -3.767 3.075 0.821 186 HB2 SER 27 1HB SER 27 -3.217 0.817 1.872 187 HB3 SER 27 2HB SER 27 -4.930 1.190 1.686 188 HG SER 27 HG SER 27 -4.494 -0.914 0.973 189 H LEU 28 H LEU 28 -2.719 0.630 -1.528 190 HA LEU 28 HA LEU 28 0.009 0.660 -0.887 191 HB2 LEU 28 1HB LEU 28 -0.707 -1.118 -2.211 192 HB3 LEU 28 2HB LEU 28 -1.535 -0.058 -3.349 193 HG LEU 28 HG LEU 28 0.701 0.722 -4.139 194 HD11 LEU 28 1HD1 LEU 28 2.538 0.207 -3.017 195 HD12 LEU 28 2HD1 LEU 28 2.237 -1.509 -3.283 196 HD13 LEU 28 3HD1 LEU 28 1.576 -0.709 -1.857 197 HD21 LEU 28 3HD2 LEU 28 0.663 -0.859 -5.727 198 HD22 LEU 28 1HD2 LEU 28 -0.739 -1.480 -4.853 199 HD23 LEU 28 2HD2 LEU 28 0.858 -2.172 -4.564 200 H THR 29 H THR 29 -1.732 2.398 -3.465 201 HA THR 29 HA THR 29 0.351 3.797 -4.583 202 HB THR 29 HB THR 29 -2.448 4.838 -4.104 203 HG1 THR 29 HG1 THR 29 -2.296 2.840 -5.298 204 HG21 THR 29 3HG2 THR 29 -1.574 5.906 -6.464 205 HG22 THR 29 1HG2 THR 29 -0.111 5.949 -5.480 206 HG23 THR 29 2HG2 THR 29 -1.579 6.747 -4.914 207 H VAL 30 H VAL 30 -1.681 4.853 -1.852 208 HA VAL 30 HA VAL 30 -0.215 7.238 -1.377 209 HB VAL 30 HB VAL 30 -2.566 6.847 -0.622 210 HG11 VAL 30 1HG1 VAL 30 -1.167 4.904 1.161 211 HG12 VAL 30 2HG1 VAL 30 -2.618 5.726 1.738 212 HG13 VAL 30 3HG1 VAL 30 -2.686 4.732 0.282 213 HG21 VAL 30 3HG2 VAL 30 -2.062 8.661 0.565 214 HG22 VAL 30 1HG2 VAL 30 -1.686 7.594 1.918 215 HG23 VAL 30 2HG2 VAL 30 -0.407 8.106 0.818 216 H HIS 31 H HIS 31 0.528 4.012 -0.803 217 HA HIS 31 HA HIS 31 2.146 4.508 1.563 218 HB2 HIS 31 1HB HIS 31 1.333 2.396 1.823 219 HB3 HIS 31 2HB HIS 31 1.201 2.119 0.089 220 HD1 HIS 31 HD1 HIS 31 4.028 2.458 2.624 221 HD2 HIS 31 HD2 HIS 31 2.999 0.306 -0.778 222 HE1 HIS 31 HE1 HIS 31 5.916 0.837 2.257 223 H GLN 32 H GLN 32 2.535 3.941 -1.879 224 HA GLN 32 HA GLN 32 5.293 3.474 -1.943 225 HB2 GLN 32 1HB GLN 32 4.082 5.045 -4.154 226 HB3 GLN 32 2HB GLN 32 5.117 3.624 -4.219 227 HG2 GLN 32 1HG GLN 32 2.888 2.570 -3.114 228 HG3 GLN 32 2HG GLN 32 2.192 3.833 -4.128 229 HE21 GLN 32 1HE2 GLN 32 4.901 1.560 -4.452 230 HE22 GLN 32 2HE2 GLN 32 4.418 0.938 -5.990 231 H ARG 33 H ARG 33 3.447 6.475 -1.891 232 HA ARG 33 HA ARG 33 5.431 8.302 -2.511 233 HB2 ARG 33 1HB ARG 33 4.083 9.955 -1.490 234 HB3 ARG 33 2HB ARG 33 2.963 8.742 -2.095 235 HG2 ARG 33 1HG ARG 33 2.996 7.758 0.244 236 HG3 ARG 33 2HG ARG 33 3.806 9.246 0.739 237 HD2 ARG 33 1HD ARG 33 1.247 9.115 0.960 238 HD3 ARG 33 2HD ARG 33 1.953 10.564 0.247 239 HE ARG 33 HE ARG 33 1.160 8.505 -1.629 240 HH11 ARG 33 1HH1 ARG 33 0.287 11.429 0.048 241 HH12 ARG 33 2HH1 ARG 33 -0.946 11.867 -1.088 242 HH21 ARG 33 1HH2 ARG 33 -0.460 9.072 -3.132 243 HH22 ARG 33 2HH2 ARG 33 -1.370 10.525 -2.896 244 H ILE 34 H ILE 34 4.808 6.620 0.509 245 HA ILE 34 HA ILE 34 6.360 8.082 2.269 246 HB ILE 34 HB ILE 34 5.707 5.160 2.121 247 HG12 ILE 34 1HG1 ILE 34 4.433 5.671 4.148 248 HG13 ILE 34 2HG1 ILE 34 5.054 7.317 4.141 249 HG21 ILE 34 1HG2 ILE 34 7.459 6.482 4.188 250 HG22 ILE 34 2HG2 ILE 34 6.771 4.866 4.329 251 HG23 ILE 34 3HG2 ILE 34 7.935 5.219 3.053 252 HD11 ILE 34 3HD1 ILE 34 2.800 7.272 3.297 253 HD12 ILE 34 1HD1 ILE 34 3.914 7.711 2.002 254 HD13 ILE 34 2HD1 ILE 34 3.249 6.079 2.079 255 H HIS 35 H HIS 35 7.359 5.553 0.003 256 HA HIS 35 HA HIS 35 10.067 5.462 0.833 257 HB2 HIS 35 1HB HIS 35 9.003 4.762 -1.906 258 HB3 HIS 35 2HB HIS 35 10.464 4.149 -1.138 259 HD1 HIS 35 HD1 HIS 35 9.623 3.050 1.445 260 HD2 HIS 35 HD2 HIS 35 7.179 2.783 -1.904 261 HE1 HIS 35 HE1 HIS 35 8.056 1.139 1.907 262 H THR 36 H THR 36 8.320 7.392 -1.521 263 HA THR 36 HA THR 36 10.625 8.513 -2.765 264 HB THR 36 HB THR 36 9.131 10.051 -3.849 265 HG1 THR 36 HG1 THR 36 7.183 10.560 -3.058 266 HG21 THR 36 3HG2 THR 36 7.357 8.472 -4.689 267 HG22 THR 36 1HG2 THR 36 7.932 7.307 -3.497 268 HG23 THR 36 2HG2 THR 36 9.008 7.859 -4.781 269 H GLY 37 H GLY 37 8.434 9.611 -0.199 270 HA2 GLY 37 1HA GLY 37 9.629 12.158 0.143 271 HA3 GLY 37 2HA GLY 37 8.604 11.335 1.310 272 H GLU 38 H GLU 38 10.156 9.046 1.756 273 HA GLU 38 HA GLU 38 11.957 10.004 3.703 274 HB2 GLU 38 1HB GLU 38 11.585 7.259 2.503 275 HB3 GLU 38 2HB GLU 38 12.676 7.589 3.841 276 HG2 GLU 38 1HG GLU 38 9.827 8.421 4.062 277 HG3 GLU 38 2HG GLU 38 10.248 6.722 4.266 278 H LYS 39 H LYS 39 14.281 8.987 3.757 279 HA LYS 39 HA LYS 39 15.638 10.006 1.384 280 HB2 LYS 39 1HB LYS 39 16.624 9.264 4.139 281 HB3 LYS 39 2HB LYS 39 17.695 9.750 2.831 282 HG2 LYS 39 1HG LYS 39 17.031 11.932 2.909 283 HG3 LYS 39 2HG LYS 39 15.426 11.537 3.528 284 HD2 LYS 39 1HD LYS 39 16.358 11.042 5.711 285 HD3 LYS 39 2HD LYS 39 17.991 11.323 5.105 286 HE2 LYS 39 1HE LYS 39 15.960 13.484 4.825 287 HE3 LYS 39 2HE LYS 39 16.676 13.194 6.410 288 HZ1 LYS 39 3HZ LYS 39 18.785 13.210 4.647 289 HZ2 LYS 39 1HZ LYS 39 18.367 14.435 5.736 290 HZ3 LYS 39 2HZ LYS 39 17.799 14.490 4.145 291 HA PRO 40 HA PRO 40 16.484 5.972 -0.190 292 HB2 PRO 40 1HB PRO 40 18.517 6.632 -1.864 293 HB3 PRO 40 2HB PRO 40 16.825 7.006 -2.213 294 HG2 PRO 40 1HG PRO 40 18.964 8.777 -1.096 295 HG3 PRO 40 2HG PRO 40 17.743 9.139 -2.330 296 HD2 PRO 40 1HD PRO 40 17.484 9.922 0.249 297 HD3 PRO 40 2HD PRO 40 16.089 9.505 -0.767 298 H SER 41 H SER 41 18.204 4.383 -0.295 299 HA SER 41 HA SER 41 19.935 4.537 2.001 300 HB2 SER 41 1HB SER 41 19.295 2.409 -0.023 301 HB3 SER 41 2HB SER 41 20.654 2.211 1.083 302 HG SER 41 HG SER 41 18.790 2.924 2.655 303 H GLY 42 H GLY 42 22.247 3.541 1.631 304 HA2 GLY 42 1HA GLY 42 23.660 5.451 0.027 305 HA3 GLY 42 2HA GLY 42 24.374 4.161 0.983 306 HA PRO 43 HA PRO 43 25.155 3.031 -3.388 307 HB2 PRO 43 1HB PRO 43 27.570 1.898 -2.882 308 HB3 PRO 43 2HB PRO 43 27.359 3.634 -3.142 309 HG2 PRO 43 1HG PRO 43 27.621 2.122 -0.571 310 HG3 PRO 43 2HG PRO 43 28.368 3.658 -1.047 311 HD2 PRO 43 1HD PRO 43 26.183 3.533 0.547 312 HD3 PRO 43 2HD PRO 43 26.465 4.872 -0.584 313 H SER 44 H SER 44 24.690 1.111 -4.320 314 HA SER 44 HA SER 44 23.982 -1.100 -2.586 315 HB2 SER 44 1HB SER 44 22.876 -2.038 -4.475 316 HB3 SER 44 2HB SER 44 22.573 -0.302 -4.549 317 HG SER 44 HG SER 44 24.549 -0.323 -5.962 318 H SER 45 H SER 45 26.379 -0.330 -5.035 319 HA SER 45 HA SER 45 28.056 -1.626 -5.967 320 HB2 SER 45 1HB SER 45 29.730 -2.210 -4.268 321 HB3 SER 45 2HB SER 45 29.029 -0.626 -3.937 322 HG SER 45 HG SER 45 27.617 -1.722 -2.437 323 H GLY 46 H GLY 46 25.731 -3.122 -6.045 324 HA2 GLY 46 1HA GLY 46 26.841 -5.799 -5.946 325 HA3 GLY 46 2HA GLY 46 25.473 -5.529 -4.876
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