NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
505630 | 2ytg | 10186 | 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 23.923 -18.887 -5.955 2 HA2 GLY 1 1HA GLY 1 21.648 -20.339 -5.017 3 HA3 GLY 1 2HA GLY 1 22.400 -18.961 -4.228 4 H SER 2 H SER 2 19.643 -19.330 -4.271 5 HA SER 2 HA SER 2 18.838 -16.896 -5.647 6 HB2 SER 2 1HB SER 2 16.855 -17.952 -6.659 7 HB3 SER 2 2HB SER 2 18.345 -18.656 -7.287 8 HG SER 2 HG SER 2 18.006 -20.461 -6.084 9 H SER 3 H SER 3 17.785 -15.690 -4.229 10 HA SER 3 HA SER 3 15.900 -16.935 -2.377 11 HB2 SER 3 1HB SER 3 18.259 -15.241 -1.554 12 HB3 SER 3 2HB SER 3 16.849 -15.466 -0.520 13 HG SER 3 HG SER 3 17.386 -17.851 -1.115 14 H GLY 4 H GLY 4 14.446 -15.376 -1.360 15 HA2 GLY 4 1HA GLY 4 14.398 -12.651 -2.208 16 HA3 GLY 4 2HA GLY 4 13.267 -13.625 -3.136 17 H SER 5 H SER 5 12.995 -11.440 -1.035 18 HA SER 5 HA SER 5 11.609 -12.794 1.119 19 HB2 SER 5 1HB SER 5 12.196 -9.905 0.499 20 HB3 SER 5 2HB SER 5 11.096 -10.362 1.799 21 HG SER 5 HG SER 5 12.799 -10.692 2.964 22 H SER 6 H SER 6 9.386 -12.177 1.707 23 HA SER 6 HA SER 6 7.667 -11.091 -0.326 24 HB2 SER 6 1HB SER 6 6.408 -13.031 -0.852 25 HB3 SER 6 2HB SER 6 8.095 -13.518 -1.007 26 HG SER 6 HG SER 6 7.445 -15.068 0.280 27 H GLY 7 H GLY 7 5.755 -10.368 0.505 28 HA2 GLY 7 1HA GLY 7 5.512 -9.908 3.231 29 HA3 GLY 7 2HA GLY 7 4.186 -9.803 2.082 30 H THR 8 H THR 8 4.046 -10.694 4.811 31 HA THR 8 HA THR 8 3.494 -13.563 4.505 32 HB THR 8 HB THR 8 3.572 -11.977 7.077 33 HG1 THR 8 HG1 THR 8 5.590 -13.177 5.555 34 HG21 THR 8 3HG2 THR 8 2.296 -14.088 7.143 35 HG22 THR 8 1HG2 THR 8 3.749 -14.157 8.140 36 HG23 THR 8 2HG2 THR 8 3.721 -14.951 6.565 37 H GLY 9 H GLY 9 1.466 -14.019 3.952 38 HA2 GLY 9 1HA GLY 9 -0.816 -14.147 4.896 39 HA3 GLY 9 2HA GLY 9 -0.694 -12.417 5.182 40 H GLU 10 H GLU 10 -2.068 -11.417 3.870 41 HA GLU 10 HA GLU 10 -1.726 -11.430 1.069 42 HB2 GLU 10 1HB GLU 10 -4.139 -12.306 0.636 43 HB3 GLU 10 2HB GLU 10 -2.824 -13.456 0.832 44 HG2 GLU 10 1HG GLU 10 -4.542 -12.627 3.141 45 HG3 GLU 10 2HG GLU 10 -5.018 -13.924 2.046 46 H LYS 11 H LYS 11 -2.558 -9.605 0.219 47 HA LYS 11 HA LYS 11 -4.650 -8.187 1.717 48 HB2 LYS 11 1HB LYS 11 -2.089 -6.966 0.672 49 HB3 LYS 11 2HB LYS 11 -3.441 -6.053 1.329 50 HG2 LYS 11 1HG LYS 11 -2.069 -6.164 3.152 51 HG3 LYS 11 2HG LYS 11 -3.075 -7.590 3.415 52 HD2 LYS 11 1HD LYS 11 -1.344 -8.991 2.385 53 HD3 LYS 11 2HD LYS 11 -0.338 -7.561 2.141 54 HE2 LYS 11 1HE LYS 11 -1.338 -8.298 4.868 55 HE3 LYS 11 2HE LYS 11 0.102 -9.062 4.196 56 HZ1 LYS 11 3HZ LYS 11 1.010 -6.792 3.856 57 HZ2 LYS 11 1HZ LYS 11 0.780 -7.198 5.483 58 HZ3 LYS 11 2HZ LYS 11 -0.315 -6.169 4.705 59 HA PRO 12 HA PRO 12 -6.517 -7.711 -2.240 60 HB2 PRO 12 1HB PRO 12 -8.120 -5.584 -1.710 61 HB3 PRO 12 2HB PRO 12 -8.450 -7.211 -1.103 62 HG2 PRO 12 1HG PRO 12 -7.181 -4.888 0.296 63 HG3 PRO 12 2HG PRO 12 -8.391 -6.034 0.902 64 HD2 PRO 12 1HD PRO 12 -5.760 -6.237 1.508 65 HD3 PRO 12 2HD PRO 12 -6.816 -7.656 1.348 66 H PHE 13 H PHE 13 -4.633 -5.231 -0.758 67 HA PHE 13 HA PHE 13 -4.419 -3.838 -3.346 68 HB2 PHE 13 1HB PHE 13 -3.786 -2.571 -0.688 69 HB3 PHE 13 2HB PHE 13 -4.085 -1.781 -2.233 70 HD1 PHE 13 HD1 PHE 13 -6.491 -2.324 -3.247 71 HD2 PHE 13 HD2 PHE 13 -5.453 -2.502 0.877 72 HE1 PHE 13 HE1 PHE 13 -8.859 -2.038 -2.642 73 HE2 PHE 13 HE2 PHE 13 -7.819 -2.218 1.489 74 HZ PHE 13 HZ PHE 13 -9.526 -1.986 -0.272 75 H LYS 14 H LYS 14 -2.394 -3.330 -4.121 76 HA LYS 14 HA LYS 14 -0.036 -3.908 -2.540 77 HB2 LYS 14 1HB LYS 14 -0.682 -6.108 -3.500 78 HB3 LYS 14 2HB LYS 14 -0.554 -5.414 -5.111 79 HG2 LYS 14 1HG LYS 14 1.846 -4.894 -4.585 80 HG3 LYS 14 2HG LYS 14 1.652 -5.856 -3.118 81 HD2 LYS 14 1HD LYS 14 0.988 -7.786 -4.506 82 HD3 LYS 14 2HD LYS 14 1.266 -6.816 -5.954 83 HE2 LYS 14 1HE LYS 14 3.603 -6.605 -5.425 84 HE3 LYS 14 2HE LYS 14 3.365 -7.404 -3.871 85 HZ1 LYS 14 3HZ LYS 14 3.987 -8.587 -6.300 86 HZ2 LYS 14 1HZ LYS 14 2.397 -9.047 -5.951 87 HZ3 LYS 14 2HZ LYS 14 3.631 -9.362 -4.839 88 H CYS 15 H CYS 15 1.863 -3.001 -3.385 89 HA CYS 15 HA CYS 15 1.377 -0.896 -5.348 90 HB2 CYS 15 1HB CYS 15 2.434 -0.015 -3.452 91 HB3 CYS 15 2HB CYS 15 3.515 -1.396 -3.298 92 H GLY 16 H GLY 16 1.761 -1.345 -7.412 93 HA2 GLY 16 1HA GLY 16 3.643 -3.450 -8.127 94 HA3 GLY 16 2HA GLY 16 2.543 -2.620 -9.217 95 H GLU 17 H GLU 17 4.800 -1.077 -6.994 96 HA GLU 17 HA GLU 17 6.353 -0.151 -9.320 97 HB2 GLU 17 1HB GLU 17 5.614 1.457 -6.868 98 HB3 GLU 17 2HB GLU 17 6.646 2.012 -8.179 99 HG2 GLU 17 1HG GLU 17 4.420 2.923 -8.403 100 HG3 GLU 17 2HG GLU 17 4.774 1.825 -9.736 101 H CYS 18 H CYS 18 6.333 -1.078 -5.943 102 HA CYS 18 HA CYS 18 9.241 -1.472 -6.095 103 HB2 CYS 18 1HB CYS 18 9.599 -0.583 -3.926 104 HB3 CYS 18 2HB CYS 18 8.588 0.592 -4.761 105 H GLY 19 H GLY 19 6.201 -2.308 -4.489 106 HA2 GLY 19 1HA GLY 19 5.710 -4.731 -4.405 107 HA3 GLY 19 2HA GLY 19 7.372 -4.953 -3.879 108 H LYS 20 H LYS 20 4.901 -2.617 -2.846 109 HA LYS 20 HA LYS 20 5.144 -3.719 -0.123 110 HB2 LYS 20 1HB LYS 20 5.070 -0.884 -1.091 111 HB3 LYS 20 2HB LYS 20 4.463 -1.272 0.513 112 HG2 LYS 20 1HG LYS 20 6.778 -2.488 0.745 113 HG3 LYS 20 2HG LYS 20 7.241 -1.372 -0.542 114 HD2 LYS 20 1HD LYS 20 7.750 -0.094 1.286 115 HD3 LYS 20 2HD LYS 20 6.069 0.387 1.043 116 HE2 LYS 20 1HE LYS 20 6.254 -0.055 3.343 117 HE3 LYS 20 2HE LYS 20 5.467 -1.479 2.664 118 HZ1 LYS 20 3HZ LYS 20 7.045 -2.579 3.781 119 HZ2 LYS 20 1HZ LYS 20 8.053 -1.228 3.924 120 HZ3 LYS 20 2HZ LYS 20 8.064 -2.144 2.503 121 H SER 21 H SER 21 3.331 -4.694 0.467 122 HA SER 21 HA SER 21 0.787 -3.835 -0.702 123 HB2 SER 21 1HB SER 21 -0.097 -5.965 -0.011 124 HB3 SER 21 2HB SER 21 1.464 -6.256 -0.777 125 HG SER 21 HG SER 21 2.078 -7.135 1.017 126 H TYR 22 H TYR 22 -1.107 -3.651 0.668 127 HA TYR 22 HA TYR 22 -0.627 -3.193 3.505 128 HB2 TYR 22 1HB TYR 22 -1.797 -1.051 1.717 129 HB3 TYR 22 2HB TYR 22 -1.616 -0.957 3.465 130 HD1 TYR 22 HD1 TYR 22 0.586 -0.635 4.473 131 HD2 TYR 22 HD2 TYR 22 0.101 -0.760 0.248 132 HE1 TYR 22 HE1 TYR 22 2.830 0.331 4.193 133 HE2 TYR 22 HE2 TYR 22 2.344 0.204 -0.044 134 HH TYR 22 HH TYR 22 4.137 1.516 2.586 135 H ASN 23 H ASN 23 -2.282 -3.894 4.695 136 HA ASN 23 HA ASN 23 -4.389 -5.348 3.747 137 HB2 ASN 23 1HB ASN 23 -5.520 -4.801 5.966 138 HB3 ASN 23 2HB ASN 23 -3.901 -5.488 6.062 139 HD21 ASN 23 1HD2 ASN 23 -2.481 -4.478 7.287 140 HD22 ASN 23 2HD2 ASN 23 -2.610 -2.852 7.857 141 H GLN 24 H GLN 24 -4.363 -1.879 4.474 142 HA GLN 24 HA GLN 24 -7.043 -1.639 3.303 143 HB2 GLN 24 1HB GLN 24 -5.451 0.015 5.211 144 HB3 GLN 24 2HB GLN 24 -6.659 0.813 4.213 145 HG2 GLN 24 1HG GLN 24 -7.354 -1.610 5.822 146 HG3 GLN 24 2HG GLN 24 -7.323 -0.007 6.555 147 HE21 GLN 24 1HE2 GLN 24 -9.385 -2.157 5.501 148 HE22 GLN 24 2HE2 GLN 24 -10.609 -1.157 4.803 149 H ARG 25 H ARG 25 -7.419 0.345 1.959 150 HA ARG 25 HA ARG 25 -5.375 0.467 -0.095 151 HB2 ARG 25 1HB ARG 25 -7.052 1.664 -1.409 152 HB3 ARG 25 2HB ARG 25 -7.724 0.183 -0.740 153 HG2 ARG 25 1HG ARG 25 -8.901 1.409 0.950 154 HG3 ARG 25 2HG ARG 25 -8.112 2.912 0.466 155 HD2 ARG 25 1HD ARG 25 -9.296 3.014 -1.553 156 HD3 ARG 25 2HD ARG 25 -9.768 1.318 -1.461 157 HE ARG 25 HE ARG 25 -11.145 3.535 -0.329 158 HH11 ARG 25 1HH1 ARG 25 -10.399 0.171 0.168 159 HH12 ARG 25 2HH1 ARG 25 -11.817 -0.139 1.113 160 HH21 ARG 25 1HH2 ARG 25 -13.016 3.140 0.915 161 HH22 ARG 25 2HH2 ARG 25 -13.306 1.551 1.537 162 H VAL 26 H VAL 26 -6.505 2.371 2.537 163 HA VAL 26 HA VAL 26 -5.586 4.904 1.577 164 HB VAL 26 HB VAL 26 -7.293 4.951 3.234 165 HG11 VAL 26 1HG1 VAL 26 -5.907 2.753 4.327 166 HG12 VAL 26 2HG1 VAL 26 -5.958 4.002 5.573 167 HG13 VAL 26 3HG1 VAL 26 -7.455 3.426 4.838 168 HG21 VAL 26 3HG2 VAL 26 -5.444 6.668 3.351 169 HG22 VAL 26 1HG2 VAL 26 -6.397 6.465 4.821 170 HG23 VAL 26 2HG2 VAL 26 -4.790 5.747 4.705 171 H HIS 27 H HIS 27 -4.081 2.178 2.997 172 HA HIS 27 HA HIS 27 -1.781 3.689 3.951 173 HB2 HIS 27 1HB HIS 27 -2.673 0.839 4.157 174 HB3 HIS 27 2HB HIS 27 -0.972 1.226 4.396 175 HD1 HIS 27 HD1 HIS 27 -2.747 0.112 6.682 176 HD2 HIS 27 HD2 HIS 27 -1.979 4.143 6.033 177 HE1 HIS 27 HE1 HIS 27 -3.113 1.232 8.903 178 H LEU 28 H LEU 28 -2.834 2.294 1.085 179 HA LEU 28 HA LEU 28 -0.146 1.678 0.121 180 HB2 LEU 28 1HB LEU 28 -1.674 0.037 -0.531 181 HB3 LEU 28 2HB LEU 28 -2.910 1.224 -0.943 182 HG LEU 28 HG LEU 28 -1.499 1.902 -2.892 183 HD11 LEU 28 1HD1 LEU 28 0.656 1.136 -2.106 184 HD12 LEU 28 2HD1 LEU 28 0.249 0.333 -3.622 185 HD13 LEU 28 3HD1 LEU 28 0.088 -0.534 -2.095 186 HD21 LEU 28 3HD2 LEU 28 -2.160 -1.027 -2.986 187 HD22 LEU 28 1HD2 LEU 28 -2.269 0.169 -4.277 188 HD23 LEU 28 2HD2 LEU 28 -3.408 0.219 -2.931 189 H THR 29 H THR 29 -2.923 3.702 -0.817 190 HA THR 29 HA THR 29 -1.712 5.062 -2.924 191 HB THR 29 HB THR 29 -4.169 5.123 -2.221 192 HG1 THR 29 HG1 THR 29 -4.376 6.881 -3.460 193 HG21 THR 29 3HG2 THR 29 -4.896 6.785 -0.698 194 HG22 THR 29 1HG2 THR 29 -3.287 7.499 -0.593 195 HG23 THR 29 2HG2 THR 29 -3.599 5.917 0.121 196 H GLN 30 H GLN 30 -1.688 5.748 0.542 197 HA GLN 30 HA GLN 30 -0.350 8.246 0.327 198 HB2 GLN 30 1HB GLN 30 -0.876 6.329 2.574 199 HB3 GLN 30 2HB GLN 30 0.199 7.700 2.814 200 HG2 GLN 30 1HG GLN 30 -1.801 9.058 1.821 201 HG3 GLN 30 2HG GLN 30 -2.737 7.654 2.330 202 HE21 GLN 30 1HE2 GLN 30 -2.359 10.563 3.258 203 HE22 GLN 30 2HE2 GLN 30 -2.195 10.411 4.971 204 H HIS 31 H HIS 31 0.694 5.013 0.068 205 HA HIS 31 HA HIS 31 3.449 5.603 0.794 206 HB2 HIS 31 1HB HIS 31 2.987 3.457 1.490 207 HB3 HIS 31 2HB HIS 31 1.902 3.138 0.140 208 HD1 HIS 31 HD1 HIS 31 5.632 3.570 0.744 209 HD2 HIS 31 HD2 HIS 31 3.003 1.591 -1.792 210 HE1 HIS 31 HE1 HIS 31 7.073 2.116 -0.717 211 H GLN 32 H GLN 32 1.534 4.850 -2.076 212 HA GLN 32 HA GLN 32 3.590 4.602 -3.935 213 HB2 GLN 32 1HB GLN 32 0.791 5.685 -4.276 214 HB3 GLN 32 2HB GLN 32 1.872 5.323 -5.615 215 HG2 GLN 32 1HG GLN 32 1.834 3.018 -5.163 216 HG3 GLN 32 2HG GLN 32 1.115 3.263 -3.572 217 HE21 GLN 32 1HE2 GLN 32 0.115 1.527 -5.553 218 HE22 GLN 32 2HE2 GLN 32 -1.443 2.101 -6.030 219 H ARG 33 H ARG 33 2.676 7.312 -2.143 220 HA ARG 33 HA ARG 33 3.090 9.444 -3.874 221 HB2 ARG 33 1HB ARG 33 3.325 9.047 -0.935 222 HB3 ARG 33 2HB ARG 33 4.054 10.496 -1.615 223 HG2 ARG 33 1HG ARG 33 1.796 10.903 -2.729 224 HG3 ARG 33 2HG ARG 33 1.173 9.671 -1.630 225 HD2 ARG 33 1HD ARG 33 0.784 11.636 -0.466 226 HD3 ARG 33 2HD ARG 33 2.312 11.080 0.214 227 HE ARG 33 HE ARG 33 3.289 12.971 -0.597 228 HH11 ARG 33 1HH1 ARG 33 0.357 12.388 -2.381 229 HH12 ARG 33 2HH1 ARG 33 0.461 13.861 -3.287 230 HH21 ARG 33 1HH2 ARG 33 3.436 14.914 -1.782 231 HH22 ARG 33 2HH2 ARG 33 2.213 15.297 -2.946 232 H VAL 34 H VAL 34 5.410 7.410 -2.198 233 HA VAL 34 HA VAL 34 7.707 8.981 -2.689 234 HB VAL 34 HB VAL 34 9.005 7.067 -2.081 235 HG11 VAL 34 1HG1 VAL 34 8.143 7.883 -0.119 236 HG12 VAL 34 2HG1 VAL 34 6.476 7.519 -0.571 237 HG13 VAL 34 3HG1 VAL 34 7.557 6.221 -0.061 238 HG21 VAL 34 3HG2 VAL 34 7.774 5.478 -3.573 239 HG22 VAL 34 1HG2 VAL 34 8.174 4.831 -1.982 240 HG23 VAL 34 2HG2 VAL 34 6.530 5.366 -2.328 241 H HIS 35 H HIS 35 5.771 7.104 -4.754 242 HA HIS 35 HA HIS 35 7.925 6.813 -6.726 243 HB2 HIS 35 1HB HIS 35 5.137 5.656 -6.858 244 HB3 HIS 35 2HB HIS 35 6.518 5.227 -7.862 245 HD1 HIS 35 HD1 HIS 35 8.668 4.672 -5.835 246 HD2 HIS 35 HD2 HIS 35 4.722 3.480 -5.310 247 HE1 HIS 35 HE1 HIS 35 8.754 2.760 -4.203 248 H THR 36 H THR 36 5.854 9.112 -5.883 249 HA THR 36 HA THR 36 5.736 10.200 -8.578 250 HB THR 36 HB THR 36 3.351 10.826 -8.373 251 HG1 THR 36 HG1 THR 36 2.218 9.392 -6.727 252 HG21 THR 36 3HG2 THR 36 2.419 8.522 -8.722 253 HG22 THR 36 1HG2 THR 36 3.997 7.881 -8.265 254 HG23 THR 36 2HG2 THR 36 3.838 8.895 -9.700 255 H GLY 37 H GLY 37 6.572 12.170 -8.422 256 HA2 GLY 37 1HA GLY 37 5.601 14.308 -7.051 257 HA3 GLY 37 2HA GLY 37 6.688 13.552 -5.896 258 H GLU 38 H GLU 38 8.693 12.676 -7.639 259 HA GLU 38 HA GLU 38 10.208 15.054 -7.916 260 HB2 GLU 38 1HB GLU 38 11.908 13.582 -8.964 261 HB3 GLU 38 2HB GLU 38 11.313 12.961 -7.431 262 HG2 GLU 38 1HG GLU 38 9.652 11.639 -8.963 263 HG3 GLU 38 2HG GLU 38 10.885 11.933 -10.188 264 H LYS 39 H LYS 39 11.492 15.318 -10.107 265 HA LYS 39 HA LYS 39 9.613 15.190 -12.361 266 HB2 LYS 39 1HB LYS 39 10.726 17.532 -12.933 267 HB3 LYS 39 2HB LYS 39 9.291 17.412 -11.924 268 HG2 LYS 39 1HG LYS 39 11.947 17.319 -10.599 269 HG3 LYS 39 2HG LYS 39 11.369 18.868 -11.217 270 HD2 LYS 39 1HD LYS 39 9.497 17.219 -9.598 271 HD3 LYS 39 2HD LYS 39 10.812 18.046 -8.760 272 HE2 LYS 39 1HE LYS 39 10.061 20.164 -9.459 273 HE3 LYS 39 2HE LYS 39 8.999 19.473 -10.684 274 HZ1 LYS 39 3HZ LYS 39 8.175 20.284 -8.279 275 HZ2 LYS 39 1HZ LYS 39 8.452 18.646 -7.963 276 HZ3 LYS 39 2HZ LYS 39 7.383 19.100 -9.192 277 HA PRO 40 HA PRO 40 13.093 13.648 -14.573 278 HB2 PRO 40 1HB PRO 40 12.279 14.202 -17.103 279 HB3 PRO 40 2HB PRO 40 11.581 12.899 -16.133 280 HG2 PRO 40 1HG PRO 40 10.533 15.659 -16.633 281 HG3 PRO 40 2HG PRO 40 9.660 14.115 -16.621 282 HD2 PRO 40 1HD PRO 40 9.622 15.827 -14.523 283 HD3 PRO 40 2HD PRO 40 9.524 14.066 -14.320 284 H SER 41 H SER 41 12.108 16.945 -14.706 285 HA SER 41 HA SER 41 14.504 17.733 -16.194 286 HB2 SER 41 1HB SER 41 12.241 19.492 -15.225 287 HB3 SER 41 2HB SER 41 13.494 19.918 -16.391 288 HG SER 41 HG SER 41 12.421 18.918 -17.903 289 H GLY 42 H GLY 42 12.786 18.867 -13.273 290 HA2 GLY 42 1HA GLY 42 13.651 19.331 -11.169 291 HA3 GLY 42 2HA GLY 42 15.237 18.839 -11.745 292 HA PRO 43 HA PRO 43 15.325 23.422 -11.154 293 HB2 PRO 43 1HB PRO 43 17.767 23.449 -9.969 294 HB3 PRO 43 2HB PRO 43 16.267 23.188 -9.072 295 HG2 PRO 43 1HG PRO 43 18.260 21.182 -10.055 296 HG3 PRO 43 2HG PRO 43 17.428 21.258 -8.491 297 HD2 PRO 43 1HD PRO 43 16.640 19.599 -10.481 298 HD3 PRO 43 2HD PRO 43 15.496 20.321 -9.330 299 H SER 44 H SER 44 15.485 23.375 -13.520 300 HA SER 44 HA SER 44 17.870 22.809 -14.897 301 HB2 SER 44 1HB SER 44 15.515 23.126 -15.860 302 HB3 SER 44 2HB SER 44 15.846 24.857 -15.796 303 HG SER 44 HG SER 44 16.789 22.951 -17.526 304 H SER 45 H SER 45 19.697 23.922 -15.189 305 HA SER 45 HA SER 45 20.006 26.456 -13.806 306 HB2 SER 45 1HB SER 45 21.845 24.395 -14.921 307 HB3 SER 45 2HB SER 45 22.449 26.048 -14.810 308 HG SER 45 HG SER 45 21.142 24.999 -12.582 309 H GLY 46 H GLY 46 18.310 26.666 -15.997 310 HA2 GLY 46 1HA GLY 46 17.960 27.873 -17.922 311 HA3 GLY 46 2HA GLY 46 19.247 28.904 -17.315 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.129 -20.771 -0.167 2 HA2 GLY 1 1HA GLY 1 16.413 -19.281 -1.932 3 HA3 GLY 1 2HA GLY 1 15.503 -20.617 -2.622 4 H SER 2 H SER 2 14.910 -17.792 -1.468 5 HA SER 2 HA SER 2 13.291 -17.982 0.772 6 HB2 SER 2 1HB SER 2 13.179 -16.151 -1.621 7 HB3 SER 2 2HB SER 2 12.069 -15.979 -0.262 8 HG SER 2 HG SER 2 13.886 -15.711 1.092 9 H SER 3 H SER 3 11.301 -18.731 1.185 10 HA SER 3 HA SER 3 9.625 -19.558 -1.091 11 HB2 SER 3 1HB SER 3 10.469 -21.133 1.312 12 HB3 SER 3 2HB SER 3 8.884 -21.436 0.602 13 HG SER 3 HG SER 3 10.069 -22.726 -0.605 14 H GLY 4 H GLY 4 8.820 -17.305 -0.497 15 HA2 GLY 4 1HA GLY 4 7.386 -15.899 0.682 16 HA3 GLY 4 2HA GLY 4 6.297 -17.242 0.370 17 H SER 5 H SER 5 5.109 -17.111 2.230 18 HA SER 5 HA SER 5 6.174 -18.352 4.546 19 HB2 SER 5 1HB SER 5 7.128 -16.038 4.786 20 HB3 SER 5 2HB SER 5 5.477 -15.428 4.890 21 HG SER 5 HG SER 5 6.909 -17.019 6.706 22 H SER 6 H SER 6 4.545 -18.401 6.344 23 HA SER 6 HA SER 6 1.809 -18.128 5.285 24 HB2 SER 6 1HB SER 6 3.002 -20.389 6.894 25 HB3 SER 6 2HB SER 6 1.264 -20.164 6.699 26 HG SER 6 HG SER 6 1.505 -21.206 4.899 27 H GLY 7 H GLY 7 0.130 -17.891 6.926 28 HA2 GLY 7 1HA GLY 7 -0.295 -17.563 9.353 29 HA3 GLY 7 2HA GLY 7 1.175 -16.601 9.372 30 H THR 8 H THR 8 1.144 -14.709 7.788 31 HA THR 8 HA THR 8 -1.252 -13.184 8.332 32 HB THR 8 HB THR 8 1.250 -12.337 6.857 33 HG1 THR 8 HG1 THR 8 1.334 -13.006 9.214 34 HG21 THR 8 3HG2 THR 8 -1.245 -11.075 7.092 35 HG22 THR 8 1HG2 THR 8 0.265 -10.365 6.524 36 HG23 THR 8 2HG2 THR 8 -0.179 -10.248 8.227 37 H GLY 9 H GLY 9 -2.931 -13.711 7.035 38 HA2 GLY 9 1HA GLY 9 -2.969 -14.695 4.494 39 HA3 GLY 9 2HA GLY 9 -4.209 -13.617 5.117 40 H GLU 10 H GLU 10 -3.425 -13.734 2.412 41 HA GLU 10 HA GLU 10 -1.548 -11.771 1.690 42 HB2 GLU 10 1HB GLU 10 -2.678 -11.794 -0.515 43 HB3 GLU 10 2HB GLU 10 -2.308 -13.406 0.081 44 HG2 GLU 10 1HG GLU 10 -4.440 -13.673 -0.724 45 HG3 GLU 10 2HG GLU 10 -4.735 -13.357 0.985 46 H LYS 11 H LYS 11 -2.315 -9.811 0.293 47 HA LYS 11 HA LYS 11 -4.306 -8.329 1.882 48 HB2 LYS 11 1HB LYS 11 -1.764 -7.413 0.547 49 HB3 LYS 11 2HB LYS 11 -3.016 -6.283 1.045 50 HG2 LYS 11 1HG LYS 11 -1.689 -6.215 2.886 51 HG3 LYS 11 2HG LYS 11 -2.749 -7.549 3.347 52 HD2 LYS 11 1HD LYS 11 -1.085 -9.150 2.535 53 HD3 LYS 11 2HD LYS 11 -0.027 -7.816 2.069 54 HE2 LYS 11 1HE LYS 11 -1.003 -8.255 4.883 55 HE3 LYS 11 2HE LYS 11 0.510 -8.919 4.269 56 HZ1 LYS 11 3HZ LYS 11 0.187 -6.099 3.782 57 HZ2 LYS 11 1HZ LYS 11 1.513 -6.945 4.406 58 HZ3 LYS 11 2HZ LYS 11 0.238 -6.499 5.425 59 HA PRO 12 HA PRO 12 -6.713 -7.840 -1.769 60 HB2 PRO 12 1HB PRO 12 -8.066 -5.580 -1.108 61 HB3 PRO 12 2HB PRO 12 -8.411 -7.154 -0.380 62 HG2 PRO 12 1HG PRO 12 -6.787 -4.883 0.700 63 HG3 PRO 12 2HG PRO 12 -7.967 -5.911 1.534 64 HD2 PRO 12 1HD PRO 12 -5.295 -6.290 1.750 65 HD3 PRO 12 2HD PRO 12 -6.457 -7.630 1.818 66 H PHE 13 H PHE 13 -4.530 -5.380 -0.668 67 HA PHE 13 HA PHE 13 -4.526 -4.200 -3.368 68 HB2 PHE 13 1HB PHE 13 -3.736 -2.753 -0.838 69 HB3 PHE 13 2HB PHE 13 -3.983 -2.063 -2.439 70 HD1 PHE 13 HD1 PHE 13 -6.444 -2.699 -3.410 71 HD2 PHE 13 HD2 PHE 13 -5.371 -2.298 0.689 72 HE1 PHE 13 HE1 PHE 13 -8.792 -2.225 -2.846 73 HE2 PHE 13 HE2 PHE 13 -7.716 -1.824 1.260 74 HZ PHE 13 HZ PHE 13 -9.431 -1.788 -0.508 75 H LYS 14 H LYS 14 -2.422 -3.234 -3.997 76 HA LYS 14 HA LYS 14 -0.047 -4.102 -2.638 77 HB2 LYS 14 1HB LYS 14 -0.799 -6.172 -3.831 78 HB3 LYS 14 2HB LYS 14 -0.626 -5.303 -5.350 79 HG2 LYS 14 1HG LYS 14 1.804 -4.886 -4.527 80 HG3 LYS 14 2HG LYS 14 1.479 -6.258 -3.465 81 HD2 LYS 14 1HD LYS 14 1.013 -7.678 -5.338 82 HD3 LYS 14 2HD LYS 14 1.081 -6.312 -6.454 83 HE2 LYS 14 1HE LYS 14 3.454 -6.958 -4.759 84 HE3 LYS 14 2HE LYS 14 3.128 -7.918 -6.202 85 HZ1 LYS 14 3HZ LYS 14 2.935 -5.592 -7.309 86 HZ2 LYS 14 1HZ LYS 14 4.461 -6.268 -7.031 87 HZ3 LYS 14 2HZ LYS 14 3.860 -5.081 -5.987 88 H CYS 15 H CYS 15 1.825 -3.106 -3.417 89 HA CYS 15 HA CYS 15 1.314 -0.804 -5.130 90 HB2 CYS 15 1HB CYS 15 2.460 -0.171 -3.182 91 HB3 CYS 15 2HB CYS 15 3.532 -1.566 -3.249 92 H GLY 16 H GLY 16 1.488 -1.190 -7.248 93 HA2 GLY 16 1HA GLY 16 3.339 -3.172 -8.265 94 HA3 GLY 16 2HA GLY 16 2.208 -2.216 -9.210 95 H GLU 17 H GLU 17 4.624 -0.986 -6.949 96 HA GLU 17 HA GLU 17 6.064 0.185 -9.237 97 HB2 GLU 17 1HB GLU 17 5.514 1.494 -6.568 98 HB3 GLU 17 2HB GLU 17 6.488 2.183 -7.859 99 HG2 GLU 17 1HG GLU 17 4.282 3.166 -7.841 100 HG3 GLU 17 2HG GLU 17 4.530 2.233 -9.316 101 H CYS 18 H CYS 18 6.286 -0.768 -5.826 102 HA CYS 18 HA CYS 18 9.137 -1.366 -6.272 103 HB2 CYS 18 1HB CYS 18 9.651 -0.696 -4.037 104 HB3 CYS 18 2HB CYS 18 8.703 0.602 -4.756 105 H GLY 19 H GLY 19 6.206 -2.222 -4.474 106 HA2 GLY 19 1HA GLY 19 5.695 -4.677 -4.617 107 HA3 GLY 19 2HA GLY 19 7.350 -4.917 -4.076 108 H LYS 20 H LYS 20 5.201 -2.418 -2.861 109 HA LYS 20 HA LYS 20 5.318 -3.712 -0.223 110 HB2 LYS 20 1HB LYS 20 5.199 -0.857 -1.109 111 HB3 LYS 20 2HB LYS 20 4.556 -1.290 0.470 112 HG2 LYS 20 1HG LYS 20 6.895 -2.489 0.705 113 HG3 LYS 20 2HG LYS 20 7.359 -1.292 -0.507 114 HD2 LYS 20 1HD LYS 20 6.713 0.509 0.917 115 HD3 LYS 20 2HD LYS 20 5.955 -0.596 2.067 116 HE2 LYS 20 1HE LYS 20 8.146 -1.565 2.571 117 HE3 LYS 20 2HE LYS 20 8.900 -0.461 1.421 118 HZ1 LYS 20 3HZ LYS 20 9.073 1.004 3.053 119 HZ2 LYS 20 1HZ LYS 20 8.247 -0.012 4.124 120 HZ3 LYS 20 2HZ LYS 20 7.387 1.083 3.165 121 H SER 21 H SER 21 3.540 -4.873 0.145 122 HA SER 21 HA SER 21 0.970 -3.995 -0.915 123 HB2 SER 21 1HB SER 21 1.259 -6.457 0.756 124 HB3 SER 21 2HB SER 21 0.230 -6.168 -0.646 125 HG SER 21 HG SER 21 1.965 -7.558 -1.154 126 H TYR 22 H TYR 22 -0.892 -3.743 0.399 127 HA TYR 22 HA TYR 22 -0.432 -3.435 3.274 128 HB2 TYR 22 1HB TYR 22 -1.648 -1.302 1.508 129 HB3 TYR 22 2HB TYR 22 -1.588 -1.249 3.266 130 HD1 TYR 22 HD2 TYR 22 0.550 -1.332 0.231 131 HD2 TYR 22 HD1 TYR 22 0.301 -0.402 4.375 132 HE1 TYR 22 HE2 TYR 22 2.759 -0.256 0.116 133 HE2 TYR 22 HE1 TYR 22 2.509 0.678 4.271 134 HH TYR 22 HH TYR 22 4.323 0.859 1.220 135 H ASN 23 H ASN 23 -2.403 -3.349 4.532 136 HA ASN 23 HA ASN 23 -4.387 -5.150 3.511 137 HB2 ASN 23 1HB ASN 23 -5.464 -4.738 5.773 138 HB3 ASN 23 2HB ASN 23 -3.832 -5.398 5.811 139 HD21 ASN 23 1HD2 ASN 23 -5.846 -3.093 7.057 140 HD22 ASN 23 2HD2 ASN 23 -4.666 -2.014 7.709 141 H GLN 24 H GLN 24 -4.249 -1.708 4.284 142 HA GLN 24 HA GLN 24 -6.961 -1.394 3.188 143 HB2 GLN 24 1HB GLN 24 -5.386 0.131 5.219 144 HB3 GLN 24 2HB GLN 24 -6.604 0.981 4.278 145 HG2 GLN 24 1HG GLN 24 -8.134 -1.002 5.019 146 HG3 GLN 24 2HG GLN 24 -6.935 -1.179 6.299 147 HE21 GLN 24 1HE2 GLN 24 -9.820 -0.245 6.162 148 HE22 GLN 24 2HE2 GLN 24 -9.816 1.242 7.041 149 H ARG 25 H ARG 25 -7.379 0.386 1.763 150 HA ARG 25 HA ARG 25 -5.275 0.757 -0.156 151 HB2 ARG 25 1HB ARG 25 -6.962 2.016 -1.430 152 HB3 ARG 25 2HB ARG 25 -7.573 0.453 -0.904 153 HG2 ARG 25 1HG ARG 25 -8.699 1.606 0.993 154 HG3 ARG 25 2HG ARG 25 -8.199 3.144 0.286 155 HD2 ARG 25 1HD ARG 25 -9.360 2.336 -1.842 156 HD3 ARG 25 2HD ARG 25 -10.095 1.098 -0.825 157 HE ARG 25 HE ARG 25 -10.712 3.919 -0.859 158 HH11 ARG 25 1HH1 ARG 25 -10.917 0.924 0.904 159 HH12 ARG 25 2HH1 ARG 25 -12.269 1.429 1.862 160 HH21 ARG 25 1HH2 ARG 25 -12.491 4.596 0.397 161 HH22 ARG 25 2HH2 ARG 25 -13.164 3.518 1.573 162 H VAL 26 H VAL 26 -6.926 2.755 2.235 163 HA VAL 26 HA VAL 26 -5.901 5.250 1.499 164 HB VAL 26 HB VAL 26 -7.702 5.078 3.105 165 HG11 VAL 26 1HG1 VAL 26 -7.121 4.373 5.475 166 HG12 VAL 26 2HG1 VAL 26 -7.245 3.084 4.276 167 HG13 VAL 26 3HG1 VAL 26 -5.660 3.659 4.794 168 HG21 VAL 26 3HG2 VAL 26 -5.594 6.814 3.274 169 HG22 VAL 26 1HG2 VAL 26 -7.116 6.970 4.151 170 HG23 VAL 26 2HG2 VAL 26 -5.722 6.220 4.929 171 H HIS 27 H HIS 27 -4.337 2.544 2.869 172 HA HIS 27 HA HIS 27 -2.128 4.136 3.929 173 HB2 HIS 27 1HB HIS 27 -2.899 1.240 4.125 174 HB3 HIS 27 2HB HIS 27 -1.260 1.754 4.512 175 HD1 HIS 27 HD1 HIS 27 -3.304 0.555 6.592 176 HD2 HIS 27 HD2 HIS 27 -2.476 4.590 6.047 177 HE1 HIS 27 HE1 HIS 27 -3.917 1.667 8.763 178 H LEU 28 H LEU 28 -2.973 2.134 1.226 179 HA LEU 28 HA LEU 28 -0.283 1.703 0.327 180 HB2 LEU 28 1HB LEU 28 -1.920 0.091 -0.288 181 HB3 LEU 28 2HB LEU 28 -2.973 1.330 -0.968 182 HG LEU 28 HG LEU 28 -1.154 1.711 -2.703 183 HD11 LEU 28 1HD1 LEU 28 -0.197 -0.928 -1.602 184 HD12 LEU 28 2HD1 LEU 28 0.670 0.607 -1.540 185 HD13 LEU 28 3HD1 LEU 28 0.364 -0.171 -3.093 186 HD21 LEU 28 3HD2 LEU 28 -2.548 0.553 -3.982 187 HD22 LEU 28 1HD2 LEU 28 -3.248 -0.175 -2.536 188 HD23 LEU 28 2HD2 LEU 28 -1.901 -0.965 -3.357 189 H THR 29 H THR 29 -2.968 3.786 -0.721 190 HA THR 29 HA THR 29 -1.720 5.048 -2.853 191 HB THR 29 HB THR 29 -4.142 5.278 -2.193 192 HG1 THR 29 HG1 THR 29 -2.711 6.811 -3.593 193 HG21 THR 29 3HG2 THR 29 -4.751 7.054 -0.645 194 HG22 THR 29 1HG2 THR 29 -3.049 7.382 -0.321 195 HG23 THR 29 2HG2 THR 29 -3.762 5.847 0.175 196 H GLN 30 H GLN 30 -1.654 5.876 0.591 197 HA GLN 30 HA GLN 30 -0.226 8.281 0.362 198 HB2 GLN 30 1HB GLN 30 -0.558 6.286 2.584 199 HB3 GLN 30 2HB GLN 30 0.487 7.688 2.776 200 HG2 GLN 30 1HG GLN 30 -2.463 7.715 2.184 201 HG3 GLN 30 2HG GLN 30 -1.687 8.138 3.709 202 HE21 GLN 30 1HE2 GLN 30 -0.588 10.087 3.887 203 HE22 GLN 30 2HE2 GLN 30 -0.791 11.367 2.745 204 H HIS 31 H HIS 31 0.832 4.935 0.530 205 HA HIS 31 HA HIS 31 3.599 5.516 0.878 206 HB2 HIS 31 1HB HIS 31 3.048 3.357 1.542 207 HB3 HIS 31 2HB HIS 31 2.021 3.078 0.139 208 HD1 HIS 31 HD1 HIS 31 5.730 3.578 0.844 209 HD2 HIS 31 HD2 HIS 31 3.199 1.520 -1.728 210 HE1 HIS 31 HE1 HIS 31 7.234 2.157 -0.584 211 H GLN 32 H GLN 32 1.702 4.467 -1.952 212 HA GLN 32 HA GLN 32 3.638 4.399 -3.872 213 HB2 GLN 32 1HB GLN 32 0.837 5.497 -4.156 214 HB3 GLN 32 2HB GLN 32 1.877 5.044 -5.499 215 HG2 GLN 32 1HG GLN 32 1.865 2.746 -4.805 216 HG3 GLN 32 2HG GLN 32 0.971 3.155 -3.341 217 HE21 GLN 32 1HE2 GLN 32 0.122 1.240 -5.178 218 HE22 GLN 32 2HE2 GLN 32 -1.337 1.794 -5.919 219 H ARG 33 H ARG 33 2.493 7.161 -2.176 220 HA ARG 33 HA ARG 33 2.920 9.263 -3.881 221 HB2 ARG 33 1HB ARG 33 3.671 9.114 -0.955 222 HB3 ARG 33 2HB ARG 33 3.501 10.599 -1.882 223 HG2 ARG 33 1HG ARG 33 1.213 8.695 -1.755 224 HG3 ARG 33 2HG ARG 33 1.554 9.739 -0.374 225 HD2 ARG 33 1HD ARG 33 1.209 10.739 -3.195 226 HD3 ARG 33 2HD ARG 33 -0.097 10.665 -2.013 227 HE ARG 33 HE ARG 33 2.157 12.092 -1.013 228 HH11 ARG 33 1HH1 ARG 33 -0.627 12.360 -3.088 229 HH12 ARG 33 2HH1 ARG 33 -0.764 14.077 -2.899 230 HH21 ARG 33 1HH2 ARG 33 1.986 14.352 -0.758 231 HH22 ARG 33 2HH2 ARG 33 0.723 15.209 -1.575 232 H VAL 34 H VAL 34 5.363 7.610 -1.895 233 HA VAL 34 HA VAL 34 7.572 9.152 -2.577 234 HB VAL 34 HB VAL 34 8.956 7.329 -1.876 235 HG11 VAL 34 1HG1 VAL 34 6.561 8.058 -0.393 236 HG12 VAL 34 2HG1 VAL 34 7.227 6.500 0.101 237 HG13 VAL 34 3HG1 VAL 34 8.236 7.946 0.146 238 HG21 VAL 34 3HG2 VAL 34 7.792 5.610 -3.274 239 HG22 VAL 34 1HG2 VAL 34 8.219 5.069 -1.651 240 HG23 VAL 34 2HG2 VAL 34 6.554 5.515 -2.022 241 H HIS 35 H HIS 35 5.846 6.798 -4.436 242 HA HIS 35 HA HIS 35 7.976 6.537 -6.402 243 HB2 HIS 35 1HB HIS 35 5.176 5.394 -6.452 244 HB3 HIS 35 2HB HIS 35 6.510 4.943 -7.510 245 HD1 HIS 35 HD1 HIS 35 8.729 4.579 -5.410 246 HD2 HIS 35 HD2 HIS 35 4.863 3.113 -5.000 247 HE1 HIS 35 HE1 HIS 35 8.903 2.671 -3.781 248 H THR 36 H THR 36 4.862 8.103 -6.010 249 HA THR 36 HA THR 36 4.648 8.953 -8.736 250 HB THR 36 HB THR 36 2.753 10.263 -8.034 251 HG1 THR 36 HG1 THR 36 3.751 11.047 -6.056 252 HG21 THR 36 3HG2 THR 36 2.185 7.979 -8.223 253 HG22 THR 36 1HG2 THR 36 1.475 8.510 -6.699 254 HG23 THR 36 2HG2 THR 36 2.971 7.575 -6.697 255 H GLY 37 H GLY 37 5.755 10.540 -9.664 256 HA2 GLY 37 1HA GLY 37 6.067 13.115 -8.634 257 HA3 GLY 37 2HA GLY 37 7.531 12.223 -8.249 258 H GLU 38 H GLU 38 8.455 13.970 -9.632 259 HA GLU 38 HA GLU 38 8.231 13.274 -12.487 260 HB2 GLU 38 1HB GLU 38 8.837 15.533 -13.035 261 HB3 GLU 38 2HB GLU 38 7.510 15.585 -11.882 262 HG2 GLU 38 1HG GLU 38 9.112 16.029 -10.079 263 HG3 GLU 38 2HG GLU 38 10.422 16.023 -11.259 264 H LYS 39 H LYS 39 9.980 12.510 -13.486 265 HA LYS 39 HA LYS 39 12.613 12.926 -12.243 266 HB2 LYS 39 1HB LYS 39 11.369 10.347 -13.157 267 HB3 LYS 39 2HB LYS 39 13.116 10.538 -13.098 268 HG2 LYS 39 1HG LYS 39 12.764 9.644 -11.041 269 HG3 LYS 39 2HG LYS 39 12.589 11.355 -10.643 270 HD2 LYS 39 1HD LYS 39 10.725 10.431 -9.633 271 HD3 LYS 39 2HD LYS 39 10.077 10.949 -11.191 272 HE2 LYS 39 1HE LYS 39 9.241 8.808 -11.027 273 HE3 LYS 39 2HE LYS 39 10.721 8.542 -11.948 274 HZ1 LYS 39 3HZ LYS 39 10.644 6.910 -10.259 275 HZ2 LYS 39 1HZ LYS 39 10.279 8.045 -9.059 276 HZ3 LYS 39 2HZ LYS 39 11.812 8.032 -9.773 277 HA PRO 40 HA PRO 40 13.869 14.168 -16.275 278 HB2 PRO 40 1HB PRO 40 16.543 13.759 -16.042 279 HB3 PRO 40 2HB PRO 40 15.704 15.100 -15.254 280 HG2 PRO 40 1HG PRO 40 16.567 12.471 -14.110 281 HG3 PRO 40 2HG PRO 40 16.688 14.093 -13.403 282 HD2 PRO 40 1HD PRO 40 14.741 12.343 -12.710 283 HD3 PRO 40 2HD PRO 40 14.484 14.099 -12.727 284 H SER 41 H SER 41 15.304 11.146 -15.054 285 HA SER 41 HA SER 41 14.511 9.692 -17.380 286 HB2 SER 41 1HB SER 41 17.330 10.662 -17.136 287 HB3 SER 41 2HB SER 41 17.043 9.058 -17.809 288 HG SER 41 HG SER 41 15.463 10.231 -19.211 289 H GLY 42 H GLY 42 15.742 7.444 -17.336 290 HA2 GLY 42 1HA GLY 42 15.733 6.587 -14.510 291 HA3 GLY 42 2HA GLY 42 15.195 5.584 -15.849 292 HA PRO 43 HA PRO 43 19.498 4.278 -14.855 293 HB2 PRO 43 1HB PRO 43 19.008 1.632 -15.212 294 HB3 PRO 43 2HB PRO 43 18.705 2.467 -13.684 295 HG2 PRO 43 1HG PRO 43 16.782 1.738 -15.859 296 HG3 PRO 43 2HG PRO 43 16.587 1.603 -14.102 297 HD2 PRO 43 1HD PRO 43 15.509 3.632 -15.536 298 HD3 PRO 43 2HD PRO 43 16.065 3.835 -13.862 299 H SER 44 H SER 44 20.176 5.280 -16.820 300 HA SER 44 HA SER 44 20.925 3.442 -18.850 301 HB2 SER 44 1HB SER 44 18.654 3.694 -19.632 302 HB3 SER 44 2HB SER 44 18.766 5.450 -19.529 303 HG SER 44 HG SER 44 19.721 5.482 -21.401 304 H SER 45 H SER 45 22.408 4.332 -20.346 305 HA SER 45 HA SER 45 23.980 6.442 -19.318 306 HB2 SER 45 1HB SER 45 24.925 4.613 -20.671 307 HB3 SER 45 2HB SER 45 24.036 5.197 -22.078 308 HG SER 45 HG SER 45 25.670 7.019 -20.750 309 H GLY 46 H GLY 46 24.148 8.567 -19.855 310 HA2 GLY 46 1HA GLY 46 22.441 9.585 -22.023 311 HA3 GLY 46 2HA GLY 46 22.272 10.262 -20.410 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -3.127 -24.612 -10.975 2 HA2 GLY 1 1HA GLY 1 -1.408 -24.082 -13.104 3 HA3 GLY 1 2HA GLY 1 -2.085 -22.863 -12.035 4 H SER 2 H SER 2 -0.907 -22.253 -10.151 5 HA SER 2 HA SER 2 1.935 -23.019 -10.204 6 HB2 SER 2 1HB SER 2 1.676 -20.796 -11.219 7 HB3 SER 2 2HB SER 2 0.833 -20.230 -9.778 8 HG SER 2 HG SER 2 3.538 -21.037 -10.012 9 H SER 3 H SER 3 2.886 -23.386 -8.266 10 HA SER 3 HA SER 3 1.225 -23.828 -6.006 11 HB2 SER 3 1HB SER 3 4.205 -23.931 -6.441 12 HB3 SER 3 2HB SER 3 3.495 -24.204 -4.850 13 HG SER 3 HG SER 3 3.700 -26.177 -5.863 14 H GLY 4 H GLY 4 0.613 -22.463 -4.466 15 HA2 GLY 4 1HA GLY 4 2.312 -20.139 -3.868 16 HA3 GLY 4 2HA GLY 4 0.615 -19.883 -4.249 17 H SER 5 H SER 5 2.415 -22.178 -2.195 18 HA SER 5 HA SER 5 0.366 -22.037 -0.170 19 HB2 SER 5 1HB SER 5 1.860 -24.077 -0.855 20 HB3 SER 5 2HB SER 5 3.023 -23.362 0.261 21 HG SER 5 HG SER 5 1.133 -23.341 1.772 22 H SER 6 H SER 6 3.836 -21.239 -0.311 23 HA SER 6 HA SER 6 4.387 -20.290 2.129 24 HB2 SER 6 1HB SER 6 5.839 -20.158 0.032 25 HB3 SER 6 2HB SER 6 5.052 -18.613 -0.292 26 HG SER 6 HG SER 6 6.796 -18.063 0.875 27 H GLY 7 H GLY 7 2.990 -19.280 3.443 28 HA2 GLY 7 1HA GLY 7 1.088 -17.354 2.555 29 HA3 GLY 7 2HA GLY 7 1.477 -17.732 4.226 30 H THR 8 H THR 8 2.598 -15.912 1.404 31 HA THR 8 HA THR 8 4.477 -14.350 2.882 32 HB THR 8 HB THR 8 4.560 -12.922 0.844 33 HG1 THR 8 HG1 THR 8 2.803 -12.987 -0.336 34 HG21 THR 8 3HG2 THR 8 4.678 -15.684 -0.222 35 HG22 THR 8 1HG2 THR 8 5.650 -15.340 1.207 36 HG23 THR 8 2HG2 THR 8 5.886 -14.401 -0.267 37 H GLY 9 H GLY 9 1.241 -13.691 1.548 38 HA2 GLY 9 1HA GLY 9 0.143 -12.286 3.577 39 HA3 GLY 9 2HA GLY 9 1.154 -11.081 2.792 40 H GLU 10 H GLU 10 -1.853 -12.603 2.810 41 HA GLU 10 HA GLU 10 -2.472 -11.988 0.035 42 HB2 GLU 10 1HB GLU 10 -4.085 -13.226 2.266 43 HB3 GLU 10 2HB GLU 10 -4.752 -12.875 0.678 44 HG2 GLU 10 1HG GLU 10 -3.570 -14.540 -0.345 45 HG3 GLU 10 2HG GLU 10 -2.269 -14.498 0.843 46 H LYS 11 H LYS 11 -2.170 -9.693 0.194 47 HA LYS 11 HA LYS 11 -4.158 -8.248 1.787 48 HB2 LYS 11 1HB LYS 11 -1.585 -7.486 0.456 49 HB3 LYS 11 2HB LYS 11 -2.779 -6.242 0.801 50 HG2 LYS 11 1HG LYS 11 -1.525 -6.132 2.697 51 HG3 LYS 11 2HG LYS 11 -2.728 -7.322 3.199 52 HD2 LYS 11 1HD LYS 11 -1.241 -9.094 2.998 53 HD3 LYS 11 2HD LYS 11 -0.176 -8.206 1.906 54 HE2 LYS 11 1HE LYS 11 0.961 -8.312 3.970 55 HE3 LYS 11 2HE LYS 11 0.320 -6.674 3.860 56 HZ1 LYS 11 3HZ LYS 11 0.032 -8.150 6.013 57 HZ2 LYS 11 1HZ LYS 11 -1.345 -8.675 5.181 58 HZ3 LYS 11 2HZ LYS 11 -1.144 -7.033 5.533 59 HA PRO 12 HA PRO 12 -6.750 -7.499 -1.691 60 HB2 PRO 12 1HB PRO 12 -7.991 -5.243 -0.829 61 HB3 PRO 12 2HB PRO 12 -8.346 -6.846 -0.172 62 HG2 PRO 12 1HG PRO 12 -6.592 -4.689 0.940 63 HG3 PRO 12 2HG PRO 12 -7.757 -5.729 1.781 64 HD2 PRO 12 1HD PRO 12 -5.090 -6.196 1.823 65 HD3 PRO 12 2HD PRO 12 -6.290 -7.504 1.881 66 H PHE 13 H PHE 13 -4.334 -5.285 -0.648 67 HA PHE 13 HA PHE 13 -4.406 -3.984 -3.284 68 HB2 PHE 13 1HB PHE 13 -3.650 -2.528 -0.751 69 HB3 PHE 13 2HB PHE 13 -3.936 -1.843 -2.347 70 HD1 PHE 13 HD1 PHE 13 -6.338 -2.204 -3.309 71 HD2 PHE 13 HD2 PHE 13 -5.330 -2.461 0.819 72 HE1 PHE 13 HE1 PHE 13 -8.690 -1.795 -2.713 73 HE2 PHE 13 HE2 PHE 13 -7.681 -2.053 1.421 74 HZ PHE 13 HZ PHE 13 -9.364 -1.720 -0.345 75 H LYS 14 H LYS 14 -2.366 -3.236 -4.066 76 HA LYS 14 HA LYS 14 0.039 -3.936 -2.624 77 HB2 LYS 14 1HB LYS 14 -0.670 -6.078 -3.685 78 HB3 LYS 14 2HB LYS 14 -0.564 -5.296 -5.257 79 HG2 LYS 14 1HG LYS 14 1.853 -4.831 -4.741 80 HG3 LYS 14 2HG LYS 14 1.672 -5.885 -3.337 81 HD2 LYS 14 1HD LYS 14 0.943 -7.705 -4.848 82 HD3 LYS 14 2HD LYS 14 1.245 -6.644 -6.227 83 HE2 LYS 14 1HE LYS 14 3.612 -6.439 -5.433 84 HE3 LYS 14 2HE LYS 14 3.255 -7.682 -4.234 85 HZ1 LYS 14 3HZ LYS 14 2.957 -8.046 -7.166 86 HZ2 LYS 14 1HZ LYS 14 2.777 -9.235 -5.975 87 HZ3 LYS 14 2HZ LYS 14 4.298 -8.557 -6.270 88 H CYS 15 H CYS 15 1.920 -3.013 -3.511 89 HA CYS 15 HA CYS 15 1.373 -0.787 -5.318 90 HB2 CYS 15 1HB CYS 15 2.536 -0.090 -3.383 91 HB3 CYS 15 2HB CYS 15 3.653 -1.449 -3.465 92 H GLY 16 H GLY 16 1.610 -1.157 -7.421 93 HA2 GLY 16 1HA GLY 16 3.363 -3.253 -8.382 94 HA3 GLY 16 2HA GLY 16 2.301 -2.249 -9.358 95 H GLU 17 H GLU 17 4.843 -1.263 -7.091 96 HA GLU 17 HA GLU 17 6.373 -0.198 -9.363 97 HB2 GLU 17 1HB GLU 17 5.988 1.303 -6.774 98 HB3 GLU 17 2HB GLU 17 6.761 1.882 -8.243 99 HG2 GLU 17 1HG GLU 17 3.884 1.068 -8.244 100 HG3 GLU 17 2HG GLU 17 4.377 2.669 -7.696 101 H CYS 18 H CYS 18 6.525 -0.621 -5.823 102 HA CYS 18 HA CYS 18 9.341 -1.416 -6.118 103 HB2 CYS 18 1HB CYS 18 9.677 -0.773 -3.841 104 HB3 CYS 18 2HB CYS 18 8.777 0.527 -4.615 105 H GLY 19 H GLY 19 6.329 -2.295 -4.450 106 HA2 GLY 19 1HA GLY 19 5.776 -4.726 -4.639 107 HA3 GLY 19 2HA GLY 19 7.431 -5.019 -4.124 108 H LYS 20 H LYS 20 4.979 -2.745 -2.917 109 HA LYS 20 HA LYS 20 5.201 -4.063 -0.289 110 HB2 LYS 20 1HB LYS 20 5.091 -1.150 -1.014 111 HB3 LYS 20 2HB LYS 20 4.563 -1.699 0.572 112 HG2 LYS 20 1HG LYS 20 6.870 -2.858 0.679 113 HG3 LYS 20 2HG LYS 20 7.299 -1.754 -0.630 114 HD2 LYS 20 1HD LYS 20 6.887 0.150 0.718 115 HD3 LYS 20 2HD LYS 20 6.083 -0.815 1.958 116 HE2 LYS 20 1HE LYS 20 8.158 -0.473 2.903 117 HE3 LYS 20 2HE LYS 20 8.379 -2.033 2.111 118 HZ1 LYS 20 3HZ LYS 20 9.144 -0.487 0.148 119 HZ2 LYS 20 1HZ LYS 20 10.217 -0.947 1.373 120 HZ3 LYS 20 2HZ LYS 20 9.492 0.580 1.413 121 H SER 21 H SER 21 3.373 -4.939 0.403 122 HA SER 21 HA SER 21 0.837 -4.010 -0.758 123 HB2 SER 21 1HB SER 21 -0.071 -6.183 -0.250 124 HB3 SER 21 2HB SER 21 1.477 -6.421 -1.059 125 HG SER 21 HG SER 21 1.023 -6.520 1.743 126 H TYR 22 H TYR 22 -0.972 -3.652 0.566 127 HA TYR 22 HA TYR 22 -0.447 -3.468 3.452 128 HB2 TYR 22 1HB TYR 22 -1.756 -1.322 1.768 129 HB3 TYR 22 2HB TYR 22 -1.602 -1.291 3.520 130 HD1 TYR 22 HD2 TYR 22 0.401 -1.377 0.388 131 HD2 TYR 22 HD1 TYR 22 0.306 -0.382 4.523 132 HE1 TYR 22 HE2 TYR 22 2.592 -0.280 0.168 133 HE2 TYR 22 HE1 TYR 22 2.496 0.718 4.315 134 HH TYR 22 HH TYR 22 3.914 1.696 2.646 135 H ASN 23 H ASN 23 -2.517 -3.108 4.698 136 HA ASN 23 HA ASN 23 -4.445 -5.065 3.825 137 HB2 ASN 23 1HB ASN 23 -4.286 -3.353 6.314 138 HB3 ASN 23 2HB ASN 23 -5.527 -4.571 6.033 139 HD21 ASN 23 1HD2 ASN 23 -3.703 -4.545 8.188 140 HD22 ASN 23 2HD2 ASN 23 -2.710 -5.953 8.057 141 H GLN 24 H GLN 24 -4.403 -1.575 4.414 142 HA GLN 24 HA GLN 24 -7.082 -1.388 3.216 143 HB2 GLN 24 1HB GLN 24 -5.573 0.453 5.064 144 HB3 GLN 24 2HB GLN 24 -7.019 0.963 4.203 145 HG2 GLN 24 1HG GLN 24 -7.687 0.319 6.377 146 HG3 GLN 24 2HG GLN 24 -8.226 -0.944 5.273 147 HE21 GLN 24 1HE2 GLN 24 -5.433 -0.107 7.293 148 HE22 GLN 24 2HE2 GLN 24 -5.140 -1.714 7.854 149 H ARG 25 H ARG 25 -7.497 0.370 1.729 150 HA ARG 25 HA ARG 25 -5.413 0.625 -0.215 151 HB2 ARG 25 1HB ARG 25 -7.069 1.962 -1.473 152 HB3 ARG 25 2HB ARG 25 -7.717 0.417 -0.938 153 HG2 ARG 25 1HG ARG 25 -8.994 1.443 0.772 154 HG3 ARG 25 2HG ARG 25 -8.163 2.985 0.558 155 HD2 ARG 25 1HD ARG 25 -9.090 2.771 -1.892 156 HD3 ARG 25 2HD ARG 25 -10.263 1.701 -1.125 157 HE ARG 25 HE ARG 25 -11.222 3.524 -0.100 158 HH11 ARG 25 1HH1 ARG 25 -8.179 4.438 -1.522 159 HH12 ARG 25 2HH1 ARG 25 -8.430 6.136 -1.287 160 HH21 ARG 25 1HH2 ARG 25 -11.565 5.756 0.216 161 HH22 ARG 25 2HH2 ARG 25 -10.356 6.885 -0.297 162 H VAL 26 H VAL 26 -6.697 2.618 2.336 163 HA VAL 26 HA VAL 26 -5.684 5.110 1.479 164 HB VAL 26 HB VAL 26 -7.375 5.003 3.210 165 HG11 VAL 26 1HG1 VAL 26 -5.261 3.555 4.790 166 HG12 VAL 26 2HG1 VAL 26 -6.702 4.265 5.521 167 HG13 VAL 26 3HG1 VAL 26 -6.861 2.974 4.330 168 HG21 VAL 26 3HG2 VAL 26 -5.320 6.093 4.936 169 HG22 VAL 26 1HG2 VAL 26 -5.115 6.611 3.262 170 HG23 VAL 26 2HG2 VAL 26 -6.639 6.911 4.098 171 H HIS 27 H HIS 27 -4.213 2.378 3.031 172 HA HIS 27 HA HIS 27 -1.875 3.833 3.902 173 HB2 HIS 27 1HB HIS 27 -2.824 1.015 4.051 174 HB3 HIS 27 2HB HIS 27 -1.088 1.293 4.147 175 HD1 HIS 27 HD1 HIS 27 -1.252 0.408 6.632 176 HD2 HIS 27 HD2 HIS 27 -3.238 3.979 5.882 177 HE1 HIS 27 HE1 HIS 27 -1.724 1.403 8.893 178 H LEU 28 H LEU 28 -2.894 2.047 1.111 179 HA LEU 28 HA LEU 28 -0.254 1.633 0.057 180 HB2 LEU 28 1HB LEU 28 -1.877 0.066 -0.613 181 HB3 LEU 28 2HB LEU 28 -3.024 1.328 -1.060 182 HG LEU 28 HG LEU 28 -1.626 1.909 -2.988 183 HD11 LEU 28 1HD1 LEU 28 0.011 -0.513 -2.833 184 HD12 LEU 28 2HD1 LEU 28 0.411 0.718 -1.635 185 HD13 LEU 28 3HD1 LEU 28 0.436 1.118 -3.352 186 HD21 LEU 28 3HD2 LEU 28 -3.433 0.183 -3.115 187 HD22 LEU 28 1HD2 LEU 28 -2.185 -1.050 -2.933 188 HD23 LEU 28 2HD2 LEU 28 -2.171 0.019 -4.336 189 H THR 29 H THR 29 -2.994 3.699 -0.915 190 HA THR 29 HA THR 29 -1.718 5.119 -2.928 191 HB THR 29 HB THR 29 -4.205 5.174 -2.149 192 HG1 THR 29 HG1 THR 29 -4.203 6.514 -3.777 193 HG21 THR 29 3HG2 THR 29 -4.823 7.086 -0.816 194 HG22 THR 29 1HG2 THR 29 -3.141 7.598 -0.696 195 HG23 THR 29 2HG2 THR 29 -3.668 6.112 0.093 196 H GLN 30 H GLN 30 -1.635 5.586 0.552 197 HA GLN 30 HA GLN 30 -0.333 8.122 0.470 198 HB2 GLN 30 1HB GLN 30 -0.782 6.073 2.624 199 HB3 GLN 30 2HB GLN 30 0.214 7.493 2.913 200 HG2 GLN 30 1HG GLN 30 -2.569 7.755 1.847 201 HG3 GLN 30 2HG GLN 30 -2.265 7.563 3.573 202 HE21 GLN 30 1HE2 GLN 30 -1.649 9.283 4.735 203 HE22 GLN 30 2HE2 GLN 30 -1.325 10.849 4.083 204 H HIS 31 H HIS 31 0.719 4.859 0.180 205 HA HIS 31 HA HIS 31 3.481 5.464 0.839 206 HB2 HIS 31 1HB HIS 31 3.027 3.307 1.514 207 HB3 HIS 31 2HB HIS 31 1.943 2.997 0.161 208 HD1 HIS 31 HD1 HIS 31 5.605 3.096 1.028 209 HD2 HIS 31 HD2 HIS 31 3.119 1.845 -2.056 210 HE1 HIS 31 HE1 HIS 31 7.073 1.766 -0.521 211 H GLN 32 H GLN 32 1.517 4.772 -2.010 212 HA GLN 32 HA GLN 32 3.574 4.575 -3.895 213 HB2 GLN 32 1HB GLN 32 0.770 5.638 -4.282 214 HB3 GLN 32 2HB GLN 32 1.852 5.118 -5.567 215 HG2 GLN 32 1HG GLN 32 1.812 2.852 -4.736 216 HG3 GLN 32 2HG GLN 32 0.824 3.346 -3.362 217 HE21 GLN 32 1HE2 GLN 32 0.566 1.621 -5.959 218 HE22 GLN 32 2HE2 GLN 32 -1.021 2.023 -6.510 219 H ARG 33 H ARG 33 2.451 7.266 -2.137 220 HA ARG 33 HA ARG 33 2.877 9.381 -3.899 221 HB2 ARG 33 1HB ARG 33 3.214 9.207 -0.904 222 HB3 ARG 33 2HB ARG 33 3.351 10.714 -1.799 223 HG2 ARG 33 1HG ARG 33 1.045 10.416 -2.607 224 HG3 ARG 33 2HG ARG 33 0.918 8.948 -1.636 225 HD2 ARG 33 1HD ARG 33 -0.038 10.528 -0.249 226 HD3 ARG 33 2HD ARG 33 1.629 10.496 0.324 227 HE ARG 33 HE ARG 33 1.413 12.461 -1.655 228 HH11 ARG 33 1HH1 ARG 33 0.291 11.817 1.577 229 HH12 ARG 33 2HH1 ARG 33 0.173 13.491 2.010 230 HH21 ARG 33 1HH2 ARG 33 1.263 14.667 -1.098 231 HH22 ARG 33 2HH2 ARG 33 0.725 15.111 0.487 232 H VAL 34 H VAL 34 5.132 7.310 -2.302 233 HA VAL 34 HA VAL 34 7.403 9.024 -2.451 234 HB VAL 34 HB VAL 34 8.725 7.111 -1.884 235 HG11 VAL 34 1HG1 VAL 34 7.689 7.794 0.054 236 HG12 VAL 34 2HG1 VAL 34 6.080 7.358 -0.524 237 HG13 VAL 34 3HG1 VAL 34 7.206 6.100 -0.014 238 HG21 VAL 34 3HG2 VAL 34 8.026 5.427 -3.357 239 HG22 VAL 34 1HG2 VAL 34 7.563 4.835 -1.762 240 HG23 VAL 34 2HG2 VAL 34 6.347 5.538 -2.828 241 H HIS 35 H HIS 35 5.918 6.711 -4.620 242 HA HIS 35 HA HIS 35 8.136 6.841 -6.494 243 HB2 HIS 35 1HB HIS 35 5.472 5.499 -6.941 244 HB3 HIS 35 2HB HIS 35 7.004 5.160 -7.740 245 HD1 HIS 35 HD1 HIS 35 8.934 4.435 -5.746 246 HD2 HIS 35 HD2 HIS 35 4.914 3.574 -5.148 247 HE1 HIS 35 HE1 HIS 35 8.889 2.591 -4.037 248 H THR 36 H THR 36 5.697 8.859 -5.743 249 HA THR 36 HA THR 36 5.476 9.843 -8.513 250 HB THR 36 HB THR 36 3.246 10.886 -7.514 251 HG1 THR 36 HG1 THR 36 3.215 8.387 -6.201 252 HG21 THR 36 3HG2 THR 36 3.444 8.015 -8.433 253 HG22 THR 36 1HG2 THR 36 3.413 9.426 -9.489 254 HG23 THR 36 2HG2 THR 36 2.006 9.034 -8.500 255 H GLY 37 H GLY 37 6.632 11.650 -8.677 256 HA2 GLY 37 1HA GLY 37 7.352 13.259 -6.440 257 HA3 GLY 37 2HA GLY 37 7.642 13.644 -8.130 258 H GLU 38 H GLU 38 6.945 15.683 -8.347 259 HA GLU 38 HA GLU 38 4.272 16.346 -7.307 260 HB2 GLU 38 1HB GLU 38 4.934 18.576 -7.079 261 HB3 GLU 38 2HB GLU 38 6.353 17.672 -6.571 262 HG2 GLU 38 1HG GLU 38 5.973 18.799 -9.333 263 HG3 GLU 38 2HG GLU 38 6.836 19.620 -8.034 264 H LYS 39 H LYS 39 2.840 17.567 -8.622 265 HA LYS 39 HA LYS 39 2.346 16.698 -11.129 266 HB2 LYS 39 1HB LYS 39 1.191 18.915 -11.533 267 HB3 LYS 39 2HB LYS 39 0.718 18.060 -10.071 268 HG2 LYS 39 1HG LYS 39 2.365 19.514 -8.833 269 HG3 LYS 39 2HG LYS 39 2.495 20.471 -10.311 270 HD2 LYS 39 1HD LYS 39 0.354 21.284 -10.133 271 HD3 LYS 39 2HD LYS 39 -0.215 19.885 -9.219 272 HE2 LYS 39 1HE LYS 39 -0.143 21.823 -7.779 273 HE3 LYS 39 2HE LYS 39 1.087 20.665 -7.275 274 HZ1 LYS 39 3HZ LYS 39 2.305 22.335 -9.107 275 HZ2 LYS 39 1HZ LYS 39 2.551 22.301 -7.433 276 HZ3 LYS 39 2HZ LYS 39 1.407 23.353 -8.099 277 HA PRO 40 HA PRO 40 5.393 18.215 -13.906 278 HB2 PRO 40 1HB PRO 40 3.932 18.430 -16.184 279 HB3 PRO 40 2HB PRO 40 4.422 16.876 -15.500 280 HG2 PRO 40 1HG PRO 40 1.796 18.297 -15.283 281 HG3 PRO 40 2HG PRO 40 2.117 16.577 -15.574 282 HD2 PRO 40 1HD PRO 40 1.425 17.538 -13.139 283 HD3 PRO 40 2HD PRO 40 2.502 16.142 -13.343 284 H SER 41 H SER 41 2.345 19.963 -13.668 285 HA SER 41 HA SER 41 3.045 22.257 -15.111 286 HB2 SER 41 1HB SER 41 0.739 21.655 -14.305 287 HB3 SER 41 2HB SER 41 1.231 22.172 -12.692 288 HG SER 41 HG SER 41 0.691 23.681 -14.962 289 H GLY 42 H GLY 42 4.220 24.032 -14.656 290 HA2 GLY 42 1HA GLY 42 5.936 23.974 -12.346 291 HA3 GLY 42 2HA GLY 42 5.929 25.192 -13.613 292 HA PRO 43 HA PRO 43 4.020 26.799 -9.599 293 HB2 PRO 43 1HB PRO 43 5.937 28.636 -9.030 294 HB3 PRO 43 2HB PRO 43 5.999 26.969 -8.444 295 HG2 PRO 43 1HG PRO 43 7.405 28.210 -10.777 296 HG3 PRO 43 2HG PRO 43 8.034 27.082 -9.562 297 HD2 PRO 43 1HD PRO 43 7.275 26.285 -12.036 298 HD3 PRO 43 2HD PRO 43 7.110 25.246 -10.606 299 H SER 44 H SER 44 3.166 28.943 -9.274 300 HA SER 44 HA SER 44 2.211 30.167 -11.581 301 HB2 SER 44 1HB SER 44 1.367 30.341 -9.140 302 HB3 SER 44 2HB SER 44 2.513 31.674 -8.993 303 HG SER 44 HG SER 44 1.435 32.710 -10.700 304 H SER 45 H SER 45 2.791 31.950 -12.759 305 HA SER 45 HA SER 45 5.529 32.926 -12.313 306 HB2 SER 45 1HB SER 45 5.421 33.612 -14.725 307 HB3 SER 45 2HB SER 45 5.275 31.873 -14.469 308 HG SER 45 HG SER 45 3.116 33.673 -14.877 309 H GLY 46 H GLY 46 5.930 35.211 -13.011 310 HA2 GLY 46 1HA GLY 46 5.003 37.418 -13.402 311 HA3 GLY 46 2HA GLY 46 3.593 36.931 -12.473 Start of MODEL 4 1 H1 GLY 1 H GLY 1 20.740 -17.085 -2.362 2 HA2 GLY 1 1HA GLY 1 17.971 -18.094 -2.513 3 HA3 GLY 1 2HA GLY 1 18.751 -17.525 -1.044 4 H SER 2 H SER 2 16.543 -16.363 -1.143 5 HA SER 2 HA SER 2 17.087 -13.637 -1.921 6 HB2 SER 2 1HB SER 2 14.873 -15.229 -3.218 7 HB3 SER 2 2HB SER 2 14.869 -13.467 -3.161 8 HG SER 2 HG SER 2 15.897 -14.734 -5.039 9 H SER 3 H SER 3 16.406 -12.386 -0.323 10 HA SER 3 HA SER 3 13.843 -12.660 0.892 11 HB2 SER 3 1HB SER 3 15.414 -14.456 1.986 12 HB3 SER 3 2HB SER 3 16.071 -13.070 2.856 13 HG SER 3 HG SER 3 13.897 -14.425 3.426 14 H GLY 4 H GLY 4 13.207 -10.675 1.416 15 HA2 GLY 4 1HA GLY 4 14.849 -8.816 2.813 16 HA3 GLY 4 2HA GLY 4 14.748 -8.398 1.109 17 H SER 5 H SER 5 12.660 -7.928 0.205 18 HA SER 5 HA SER 5 10.741 -7.005 2.242 19 HB2 SER 5 1HB SER 5 11.551 -5.804 -0.401 20 HB3 SER 5 2HB SER 5 10.044 -5.355 0.397 21 HG SER 5 HG SER 5 11.335 -3.959 1.334 22 H SER 6 H SER 6 9.194 -8.523 2.318 23 HA SER 6 HA SER 6 7.940 -9.313 -0.229 24 HB2 SER 6 1HB SER 6 7.377 -11.484 0.851 25 HB3 SER 6 2HB SER 6 9.114 -11.230 0.693 26 HG SER 6 HG SER 6 8.662 -11.969 2.763 27 H GLY 7 H GLY 7 7.296 -9.279 3.285 28 HA2 GLY 7 1HA GLY 7 5.510 -8.378 4.444 29 HA3 GLY 7 2HA GLY 7 4.945 -7.670 2.938 30 H THR 8 H THR 8 5.479 -11.037 3.966 31 HA THR 8 HA THR 8 3.457 -12.234 2.586 32 HB THR 8 HB THR 8 4.317 -12.942 5.398 33 HG1 THR 8 HG1 THR 8 6.116 -13.329 4.331 34 HG21 THR 8 3HG2 THR 8 3.053 -14.700 3.295 35 HG22 THR 8 1HG2 THR 8 2.183 -13.998 4.658 36 HG23 THR 8 2HG2 THR 8 3.483 -15.155 4.944 37 H GLY 9 H GLY 9 1.365 -11.762 2.458 38 HA2 GLY 9 1HA GLY 9 -0.337 -11.783 4.727 39 HA3 GLY 9 2HA GLY 9 -0.066 -10.131 4.194 40 H GLU 10 H GLU 10 0.169 -10.929 1.372 41 HA GLU 10 HA GLU 10 -1.162 -11.075 -0.467 42 HB2 GLU 10 1HB GLU 10 -2.534 -13.016 1.379 43 HB3 GLU 10 2HB GLU 10 -3.141 -12.706 -0.241 44 HG2 GLU 10 1HG GLU 10 -0.445 -13.813 0.501 45 HG3 GLU 10 2HG GLU 10 -1.776 -14.673 -0.271 46 H LYS 11 H LYS 11 -1.565 -8.847 1.127 47 HA LYS 11 HA LYS 11 -4.244 -8.351 1.823 48 HB2 LYS 11 1HB LYS 11 -1.912 -6.576 1.163 49 HB3 LYS 11 2HB LYS 11 -3.503 -5.892 1.471 50 HG2 LYS 11 1HG LYS 11 -2.342 -5.792 3.513 51 HG3 LYS 11 2HG LYS 11 -3.477 -7.136 3.667 52 HD2 LYS 11 1HD LYS 11 -1.759 -8.739 3.358 53 HD3 LYS 11 2HD LYS 11 -0.611 -7.510 2.824 54 HE2 LYS 11 1HE LYS 11 0.067 -7.856 4.997 55 HE3 LYS 11 2HE LYS 11 -1.034 -6.493 5.188 56 HZ1 LYS 11 3HZ LYS 11 -1.294 -8.401 6.801 57 HZ2 LYS 11 1HZ LYS 11 -1.932 -9.293 5.513 58 HZ3 LYS 11 2HZ LYS 11 -2.705 -7.880 6.027 59 HA PRO 12 HA PRO 12 -6.316 -7.616 -1.975 60 HB2 PRO 12 1HB PRO 12 -7.986 -5.580 -1.311 61 HB3 PRO 12 2HB PRO 12 -8.217 -7.237 -0.741 62 HG2 PRO 12 1HG PRO 12 -6.991 -4.901 0.674 63 HG3 PRO 12 2HG PRO 12 -8.122 -6.118 1.295 64 HD2 PRO 12 1HD PRO 12 -5.461 -6.220 1.783 65 HD3 PRO 12 2HD PRO 12 -6.459 -7.679 1.623 66 H PHE 13 H PHE 13 -4.204 -5.350 -0.663 67 HA PHE 13 HA PHE 13 -4.246 -3.800 -3.163 68 HB2 PHE 13 1HB PHE 13 -3.640 -2.599 -0.460 69 HB3 PHE 13 2HB PHE 13 -3.848 -1.751 -1.989 70 HD1 PHE 13 HD1 PHE 13 -6.171 -1.981 -3.116 71 HD2 PHE 13 HD2 PHE 13 -5.420 -2.792 0.995 72 HE1 PHE 13 HE1 PHE 13 -8.562 -1.676 -2.622 73 HE2 PHE 13 HE2 PHE 13 -7.810 -2.489 1.494 74 HZ PHE 13 HZ PHE 13 -9.385 -1.931 -0.315 75 H LYS 14 H LYS 14 -2.269 -3.225 -4.003 76 HA LYS 14 HA LYS 14 0.160 -3.750 -2.509 77 HB2 LYS 14 1HB LYS 14 -0.663 -5.915 -3.683 78 HB3 LYS 14 2HB LYS 14 -0.136 -5.126 -5.164 79 HG2 LYS 14 1HG LYS 14 2.122 -4.876 -4.155 80 HG3 LYS 14 2HG LYS 14 1.561 -5.827 -2.778 81 HD2 LYS 14 1HD LYS 14 2.574 -7.430 -4.109 82 HD3 LYS 14 2HD LYS 14 0.879 -7.565 -4.584 83 HE2 LYS 14 1HE LYS 14 1.328 -6.100 -6.511 84 HE3 LYS 14 2HE LYS 14 3.026 -6.030 -6.046 85 HZ1 LYS 14 3HZ LYS 14 3.005 -7.688 -7.621 86 HZ2 LYS 14 1HZ LYS 14 1.500 -8.294 -7.143 87 HZ3 LYS 14 2HZ LYS 14 2.869 -8.588 -6.195 88 H CYS 15 H CYS 15 2.084 -2.981 -3.615 89 HA CYS 15 HA CYS 15 1.440 -0.830 -5.515 90 HB2 CYS 15 1HB CYS 15 2.392 0.035 -3.483 91 HB3 CYS 15 2HB CYS 15 3.711 -1.130 -3.545 92 H GLY 16 H GLY 16 1.972 -1.203 -7.558 93 HA2 GLY 16 1HA GLY 16 3.692 -3.360 -8.315 94 HA3 GLY 16 2HA GLY 16 2.949 -2.192 -9.397 95 H GLU 17 H GLU 17 4.189 -0.011 -7.662 96 HA GLU 17 HA GLU 17 6.412 0.516 -9.274 97 HB2 GLU 17 1HB GLU 17 6.090 1.626 -6.495 98 HB3 GLU 17 2HB GLU 17 6.809 2.396 -7.903 99 HG2 GLU 17 1HG GLU 17 3.901 1.870 -7.374 100 HG3 GLU 17 2HG GLU 17 4.713 3.427 -7.530 101 H CYS 18 H CYS 18 6.424 -0.333 -5.806 102 HA CYS 18 HA CYS 18 9.170 -1.320 -6.133 103 HB2 CYS 18 1HB CYS 18 9.383 -1.103 -3.719 104 HB3 CYS 18 2HB CYS 18 8.800 0.410 -4.405 105 H GLY 19 H GLY 19 6.044 -2.201 -4.692 106 HA2 GLY 19 1HA GLY 19 5.320 -4.528 -5.217 107 HA3 GLY 19 2HA GLY 19 6.939 -5.017 -4.742 108 H LYS 20 H LYS 20 5.111 -2.555 -3.054 109 HA LYS 20 HA LYS 20 5.230 -4.175 -0.635 110 HB2 LYS 20 1HB LYS 20 4.867 -1.286 -1.245 111 HB3 LYS 20 2HB LYS 20 4.149 -1.895 0.240 112 HG2 LYS 20 1HG LYS 20 6.488 -2.900 0.682 113 HG3 LYS 20 2HG LYS 20 7.030 -1.749 -0.542 114 HD2 LYS 20 1HD LYS 20 5.916 0.057 0.791 115 HD3 LYS 20 2HD LYS 20 5.629 -1.139 2.058 116 HE2 LYS 20 1HE LYS 20 8.088 -1.552 2.120 117 HE3 LYS 20 2HE LYS 20 8.293 -0.214 0.991 118 HZ1 LYS 20 3HZ LYS 20 6.817 0.938 2.888 119 HZ2 LYS 20 1HZ LYS 20 8.508 0.966 2.872 120 HZ3 LYS 20 2HZ LYS 20 7.690 -0.167 3.825 121 H SER 21 H SER 21 3.213 -3.701 0.878 122 HA SER 21 HA SER 21 0.690 -3.725 -0.540 123 HB2 SER 21 1HB SER 21 -0.004 -5.917 0.409 124 HB3 SER 21 2HB SER 21 1.323 -6.065 -0.742 125 HG SER 21 HG SER 21 2.492 -6.877 0.792 126 H TYR 22 H TYR 22 -1.078 -3.298 0.780 127 HA TYR 22 HA TYR 22 -0.573 -2.965 3.647 128 HB2 TYR 22 1HB TYR 22 -1.693 -0.829 1.823 129 HB3 TYR 22 2HB TYR 22 -1.713 -0.746 3.581 130 HD1 TYR 22 HD2 TYR 22 0.438 -0.678 0.595 131 HD2 TYR 22 HD1 TYR 22 0.269 -0.203 4.820 132 HE1 TYR 22 HE2 TYR 22 2.681 0.331 0.566 133 HE2 TYR 22 HE1 TYR 22 2.511 0.809 4.802 134 HH TYR 22 HH TYR 22 3.921 2.123 2.916 135 H ASN 23 H ASN 23 -2.191 -3.706 4.863 136 HA ASN 23 HA ASN 23 -4.284 -5.196 3.982 137 HB2 ASN 23 1HB ASN 23 -3.958 -3.557 6.482 138 HB3 ASN 23 2HB ASN 23 -5.425 -4.491 6.203 139 HD21 ASN 23 1HD2 ASN 23 -2.187 -4.557 7.209 140 HD22 ASN 23 2HD2 ASN 23 -2.049 -6.261 7.458 141 H GLN 24 H GLN 24 -4.284 -1.702 4.525 142 HA GLN 24 HA GLN 24 -6.975 -1.560 3.348 143 HB2 GLN 24 1HB GLN 24 -5.472 0.485 4.992 144 HB3 GLN 24 2HB GLN 24 -7.086 0.705 4.330 145 HG2 GLN 24 1HG GLN 24 -8.031 -0.836 5.787 146 HG3 GLN 24 2HG GLN 24 -6.478 -1.586 6.153 147 HE21 GLN 24 1HE2 GLN 24 -7.391 -1.268 8.364 148 HE22 GLN 24 2HE2 GLN 24 -7.037 0.223 9.162 149 H ARG 25 H ARG 25 -7.415 0.208 1.855 150 HA ARG 25 HA ARG 25 -5.376 0.404 -0.143 151 HB2 ARG 25 1HB ARG 25 -7.046 1.759 -1.372 152 HB3 ARG 25 2HB ARG 25 -7.691 0.220 -0.818 153 HG2 ARG 25 1HG ARG 25 -8.884 1.280 0.959 154 HG3 ARG 25 2HG ARG 25 -8.099 2.825 0.629 155 HD2 ARG 25 1HD ARG 25 -9.357 3.221 -1.248 156 HD3 ARG 25 2HD ARG 25 -9.625 1.506 -1.559 157 HE ARG 25 HE ARG 25 -11.332 3.226 -0.126 158 HH11 ARG 25 1HH1 ARG 25 -10.024 0.002 -0.006 159 HH12 ARG 25 2HH1 ARG 25 -11.376 -0.654 0.856 160 HH21 ARG 25 1HH2 ARG 25 -13.118 2.373 1.009 161 HH22 ARG 25 2HH2 ARG 25 -13.135 0.695 1.432 162 H VAL 26 H VAL 26 -6.871 2.655 2.143 163 HA VAL 26 HA VAL 26 -5.756 5.038 1.306 164 HB VAL 26 HB VAL 26 -7.403 4.963 3.087 165 HG11 VAL 26 1HG1 VAL 26 -5.372 4.078 5.080 166 HG12 VAL 26 2HG1 VAL 26 -7.131 3.950 5.129 167 HG13 VAL 26 3HG1 VAL 26 -6.195 2.864 4.102 168 HG21 VAL 26 3HG2 VAL 26 -6.155 6.968 3.054 169 HG22 VAL 26 1HG2 VAL 26 -6.227 6.476 4.746 170 HG23 VAL 26 2HG2 VAL 26 -4.758 6.202 3.810 171 H HIS 27 H HIS 27 -4.287 2.429 3.133 172 HA HIS 27 HA HIS 27 -1.933 3.873 3.856 173 HB2 HIS 27 1HB HIS 27 -2.737 0.983 3.904 174 HB3 HIS 27 2HB HIS 27 -1.060 1.435 4.194 175 HD1 HIS 27 HD1 HIS 27 -2.895 0.122 6.361 176 HD2 HIS 27 HD2 HIS 27 -2.149 4.193 5.994 177 HE1 HIS 27 HE1 HIS 27 -3.328 1.093 8.640 178 H LEU 28 H LEU 28 -2.876 1.848 1.153 179 HA LEU 28 HA LEU 28 -0.254 1.599 0.052 180 HB2 LEU 28 1HB LEU 28 -1.890 -0.047 -0.501 181 HB3 LEU 28 2HB LEU 28 -3.002 1.180 -1.103 182 HG LEU 28 HG LEU 28 -1.225 1.642 -2.893 183 HD11 LEU 28 1HD1 LEU 28 0.655 0.507 -1.994 184 HD12 LEU 28 2HD1 LEU 28 0.140 -0.401 -3.416 185 HD13 LEU 28 3HD1 LEU 28 -0.257 -0.991 -1.802 186 HD21 LEU 28 3HD2 LEU 28 -2.322 -1.099 -3.227 187 HD22 LEU 28 1HD2 LEU 28 -2.350 0.275 -4.331 188 HD23 LEU 28 2HD2 LEU 28 -3.456 0.226 -2.958 189 H THR 29 H THR 29 -3.111 3.430 -1.056 190 HA THR 29 HA THR 29 -1.960 4.863 -3.094 191 HB THR 29 HB THR 29 -4.404 4.876 -2.337 192 HG1 THR 29 HG1 THR 29 -4.639 7.067 -3.194 193 HG21 THR 29 3HG2 THR 29 -3.428 7.207 -0.684 194 HG22 THR 29 1HG2 THR 29 -3.941 5.653 -0.028 195 HG23 THR 29 2HG2 THR 29 -5.099 6.677 -0.878 196 H GLN 30 H GLN 30 -1.879 5.567 0.367 197 HA GLN 30 HA GLN 30 -0.585 8.088 0.100 198 HB2 GLN 30 1HB GLN 30 -1.125 6.211 2.366 199 HB3 GLN 30 2HB GLN 30 0.009 7.535 2.598 200 HG2 GLN 30 1HG GLN 30 -1.835 9.061 1.755 201 HG3 GLN 30 2HG GLN 30 -2.915 7.682 1.951 202 HE21 GLN 30 1HE2 GLN 30 -2.868 6.653 4.130 203 HE22 GLN 30 2HE2 GLN 30 -2.748 7.697 5.501 204 H HIS 31 H HIS 31 0.502 4.804 0.158 205 HA HIS 31 HA HIS 31 3.245 5.452 0.773 206 HB2 HIS 31 1HB HIS 31 2.792 3.309 1.487 207 HB3 HIS 31 2HB HIS 31 1.724 2.967 0.129 208 HD1 HIS 31 HD1 HIS 31 5.396 3.168 0.984 209 HD2 HIS 31 HD2 HIS 31 2.907 1.683 -1.992 210 HE1 HIS 31 HE1 HIS 31 6.877 1.781 -0.501 211 H GLN 32 H GLN 32 1.309 4.860 -2.090 212 HA GLN 32 HA GLN 32 3.305 4.465 -3.979 213 HB2 GLN 32 1HB GLN 32 0.604 5.786 -4.198 214 HB3 GLN 32 2HB GLN 32 1.639 5.512 -5.593 215 HG2 GLN 32 1HG GLN 32 1.568 3.129 -5.230 216 HG3 GLN 32 2HG GLN 32 0.636 3.355 -3.751 217 HE21 GLN 32 1HE2 GLN 32 -0.115 1.791 -6.009 218 HE22 GLN 32 2HE2 GLN 32 -1.565 2.475 -6.652 219 H ARG 33 H ARG 33 2.487 7.296 -2.220 220 HA ARG 33 HA ARG 33 3.324 9.312 -3.960 221 HB2 ARG 33 1HB ARG 33 3.224 9.078 -0.970 222 HB3 ARG 33 2HB ARG 33 3.919 10.505 -1.726 223 HG2 ARG 33 1HG ARG 33 1.840 10.990 -2.837 224 HG3 ARG 33 2HG ARG 33 1.132 9.489 -2.236 225 HD2 ARG 33 1HD ARG 33 0.333 11.254 -0.852 226 HD3 ARG 33 2HD ARG 33 1.517 10.345 0.087 227 HE ARG 33 HE ARG 33 2.929 12.387 -1.084 228 HH11 ARG 33 1HH1 ARG 33 0.190 12.132 1.049 229 HH12 ARG 33 2HH1 ARG 33 0.507 13.635 1.849 230 HH21 ARG 33 1HH2 ARG 33 3.358 14.369 -0.038 231 HH22 ARG 33 2HH2 ARG 33 2.308 14.908 1.229 232 H VAL 34 H VAL 34 5.151 7.122 -1.933 233 HA VAL 34 HA VAL 34 7.620 8.431 -1.912 234 HB VAL 34 HB VAL 34 8.625 6.307 -1.391 235 HG11 VAL 34 1HG1 VAL 34 7.458 7.198 0.452 236 HG12 VAL 34 2HG1 VAL 34 5.892 6.720 -0.207 237 HG13 VAL 34 3HG1 VAL 34 7.011 5.494 0.392 238 HG21 VAL 34 3HG2 VAL 34 7.966 4.398 -2.319 239 HG22 VAL 34 1HG2 VAL 34 6.374 4.546 -1.575 240 HG23 VAL 34 2HG2 VAL 34 6.683 5.277 -3.150 241 H HIS 35 H HIS 35 5.930 7.013 -4.497 242 HA HIS 35 HA HIS 35 8.380 6.840 -6.118 243 HB2 HIS 35 1HB HIS 35 5.673 5.701 -6.822 244 HB3 HIS 35 2HB HIS 35 7.220 5.349 -7.588 245 HD1 HIS 35 HD1 HIS 35 9.021 4.385 -5.552 246 HD2 HIS 35 HD2 HIS 35 4.945 3.634 -5.264 247 HE1 HIS 35 HE1 HIS 35 8.810 2.400 -4.022 248 H THR 36 H THR 36 5.326 8.436 -5.750 249 HA THR 36 HA THR 36 5.738 9.877 -8.283 250 HB THR 36 HB THR 36 3.342 10.663 -7.887 251 HG1 THR 36 HG1 THR 36 3.171 8.389 -6.204 252 HG21 THR 36 3HG2 THR 36 2.503 8.896 -9.109 253 HG22 THR 36 1HG2 THR 36 3.395 7.691 -8.181 254 HG23 THR 36 2HG2 THR 36 4.235 8.689 -9.368 255 H GLY 37 H GLY 37 7.380 10.583 -6.160 256 HA2 GLY 37 1HA GLY 37 6.763 12.429 -4.326 257 HA3 GLY 37 2HA GLY 37 8.162 12.626 -5.372 258 H GLU 38 H GLU 38 5.224 13.942 -4.399 259 HA GLU 38 HA GLU 38 4.811 15.503 -6.816 260 HB2 GLU 38 1HB GLU 38 2.923 14.567 -5.408 261 HB3 GLU 38 2HB GLU 38 3.347 15.763 -4.191 262 HG2 GLU 38 1HG GLU 38 1.489 16.523 -5.545 263 HG3 GLU 38 2HG GLU 38 2.899 17.554 -5.778 264 H LYS 39 H LYS 39 4.590 17.873 -6.665 265 HA LYS 39 HA LYS 39 5.983 19.206 -4.510 266 HB2 LYS 39 1HB LYS 39 7.097 19.212 -7.322 267 HB3 LYS 39 2HB LYS 39 7.630 20.283 -6.032 268 HG2 LYS 39 1HG LYS 39 8.285 18.279 -4.719 269 HG3 LYS 39 2HG LYS 39 7.883 17.285 -6.121 270 HD2 LYS 39 1HD LYS 39 9.734 19.579 -6.513 271 HD3 LYS 39 2HD LYS 39 10.349 18.149 -5.682 272 HE2 LYS 39 1HE LYS 39 10.157 16.821 -7.537 273 HE3 LYS 39 2HE LYS 39 8.830 17.767 -8.211 274 HZ1 LYS 39 3HZ LYS 39 11.595 17.962 -8.752 275 HZ2 LYS 39 1HZ LYS 39 11.038 19.438 -8.140 276 HZ3 LYS 39 2HZ LYS 39 10.307 18.759 -9.505 277 HA PRO 40 HA PRO 40 3.113 22.360 -5.603 278 HB2 PRO 40 1HB PRO 40 4.304 24.471 -4.380 279 HB3 PRO 40 2HB PRO 40 3.459 23.198 -3.492 280 HG2 PRO 40 1HG PRO 40 6.394 23.547 -3.969 281 HG3 PRO 40 2HG PRO 40 5.550 23.078 -2.481 282 HD2 PRO 40 1HD PRO 40 6.767 21.277 -4.096 283 HD3 PRO 40 2HD PRO 40 5.311 20.888 -3.158 284 H SER 41 H SER 41 6.564 23.043 -6.077 285 HA SER 41 HA SER 41 6.402 25.274 -7.695 286 HB2 SER 41 1HB SER 41 8.521 24.333 -6.831 287 HB3 SER 41 2HB SER 41 8.376 22.993 -7.968 288 HG SER 41 HG SER 41 9.289 24.241 -9.373 289 H GLY 42 H GLY 42 5.215 25.562 -9.460 290 HA2 GLY 42 1HA GLY 42 5.586 24.132 -11.834 291 HA3 GLY 42 2HA GLY 42 4.163 23.475 -11.041 292 HA PRO 43 HA PRO 43 3.403 27.618 -13.370 293 HB2 PRO 43 1HB PRO 43 2.756 26.708 -15.844 294 HB3 PRO 43 2HB PRO 43 4.400 27.176 -15.392 295 HG2 PRO 43 1HG PRO 43 3.181 24.446 -15.544 296 HG3 PRO 43 2HG PRO 43 4.778 24.990 -16.090 297 HD2 PRO 43 1HD PRO 43 4.411 23.664 -13.758 298 HD3 PRO 43 2HD PRO 43 5.677 24.890 -13.970 299 H SER 44 H SER 44 1.919 24.526 -13.049 300 HA SER 44 HA SER 44 -0.663 25.114 -14.009 301 HB2 SER 44 1HB SER 44 -1.382 23.177 -12.626 302 HB3 SER 44 2HB SER 44 0.036 22.818 -13.610 303 HG SER 44 HG SER 44 -0.062 23.385 -10.836 304 H SER 45 H SER 45 0.632 25.155 -10.691 305 HA SER 45 HA SER 45 -1.729 26.664 -9.829 306 HB2 SER 45 1HB SER 45 -0.673 24.550 -8.627 307 HB3 SER 45 2HB SER 45 0.378 25.770 -7.907 308 HG SER 45 HG SER 45 -1.816 25.163 -6.913 309 H GLY 46 H GLY 46 0.478 27.811 -11.428 310 HA2 GLY 46 1HA GLY 46 1.549 29.844 -11.525 311 HA3 GLY 46 2HA GLY 46 0.749 30.260 -10.017 Start of MODEL 5 1 H1 GLY 1 H GLY 1 14.089 -16.112 -8.735 2 HA2 GLY 1 1HA GLY 1 16.331 -16.190 -7.174 3 HA3 GLY 1 2HA GLY 1 15.315 -14.987 -6.394 4 H SER 2 H SER 2 15.353 -16.470 -4.569 5 HA SER 2 HA SER 2 13.715 -18.876 -4.914 6 HB2 SER 2 1HB SER 2 15.396 -17.970 -2.564 7 HB3 SER 2 2HB SER 2 14.504 -19.488 -2.652 8 HG SER 2 HG SER 2 16.896 -18.780 -3.805 9 H SER 3 H SER 3 12.345 -19.341 -2.833 10 HA SER 3 HA SER 3 10.991 -16.898 -1.936 11 HB2 SER 3 1HB SER 3 8.784 -18.077 -2.284 12 HB3 SER 3 2HB SER 3 9.621 -17.618 -3.767 13 HG SER 3 HG SER 3 9.351 -19.649 -4.249 14 H GLY 4 H GLY 4 9.811 -17.119 0.027 15 HA2 GLY 4 1HA GLY 4 9.862 -19.619 1.466 16 HA3 GLY 4 2HA GLY 4 11.005 -18.434 2.081 17 H SER 5 H SER 5 7.789 -17.832 0.741 18 HA SER 5 HA SER 5 7.093 -16.394 3.176 19 HB2 SER 5 1HB SER 5 5.186 -15.547 1.899 20 HB3 SER 5 2HB SER 5 6.676 -15.336 0.980 21 HG SER 5 HG SER 5 4.545 -16.459 0.106 22 H SER 6 H SER 6 6.495 -17.790 4.744 23 HA SER 6 HA SER 6 4.751 -20.032 4.139 24 HB2 SER 6 1HB SER 6 6.697 -20.142 5.775 25 HB3 SER 6 2HB SER 6 5.714 -19.168 6.868 26 HG SER 6 HG SER 6 5.614 -21.573 7.042 27 H GLY 7 H GLY 7 2.923 -18.748 3.454 28 HA2 GLY 7 1HA GLY 7 1.009 -17.477 3.783 29 HA3 GLY 7 2HA GLY 7 0.807 -18.616 5.106 30 H THR 8 H THR 8 2.306 -15.511 4.273 31 HA THR 8 HA THR 8 2.545 -14.755 7.051 32 HB THR 8 HB THR 8 2.949 -13.027 4.604 33 HG1 THR 8 HG1 THR 8 4.554 -14.415 4.337 34 HG21 THR 8 3HG2 THR 8 2.724 -11.689 6.580 35 HG22 THR 8 1HG2 THR 8 4.437 -11.757 6.168 36 HG23 THR 8 2HG2 THR 8 3.806 -12.749 7.484 37 H GLY 9 H GLY 9 0.883 -13.252 4.265 38 HA2 GLY 9 1HA GLY 9 -1.641 -13.050 5.382 39 HA3 GLY 9 2HA GLY 9 -0.767 -11.622 5.917 40 H GLU 10 H GLU 10 -2.150 -13.295 3.189 41 HA GLU 10 HA GLU 10 -1.286 -11.578 1.140 42 HB2 GLU 10 1HB GLU 10 -2.385 -13.832 0.862 43 HB3 GLU 10 2HB GLU 10 -3.919 -13.053 1.224 44 HG2 GLU 10 1HG GLU 10 -3.783 -13.202 -1.120 45 HG3 GLU 10 2HG GLU 10 -3.474 -11.516 -0.712 46 H LYS 11 H LYS 11 -1.805 -9.554 0.654 47 HA LYS 11 HA LYS 11 -4.077 -8.320 2.045 48 HB2 LYS 11 1HB LYS 11 -1.539 -7.229 0.863 49 HB3 LYS 11 2HB LYS 11 -2.909 -6.172 1.175 50 HG2 LYS 11 1HG LYS 11 -2.685 -6.313 3.436 51 HG3 LYS 11 2HG LYS 11 -1.987 -7.934 3.378 52 HD2 LYS 11 1HD LYS 11 0.063 -6.868 2.342 53 HD3 LYS 11 2HD LYS 11 -0.641 -5.308 2.777 54 HE2 LYS 11 1HE LYS 11 -0.282 -7.485 4.810 55 HE3 LYS 11 2HE LYS 11 1.036 -6.388 4.400 56 HZ1 LYS 11 3HZ LYS 11 -0.712 -5.884 6.317 57 HZ2 LYS 11 1HZ LYS 11 -1.529 -5.163 5.023 58 HZ3 LYS 11 2HZ LYS 11 0.036 -4.660 5.420 59 HA PRO 12 HA PRO 12 -6.405 -7.993 -1.673 60 HB2 PRO 12 1HB PRO 12 -7.945 -5.846 -1.050 61 HB3 PRO 12 2HB PRO 12 -8.190 -7.444 -0.335 62 HG2 PRO 12 1HG PRO 12 -6.777 -5.060 0.796 63 HG3 PRO 12 2HG PRO 12 -7.899 -6.178 1.594 64 HD2 PRO 12 1HD PRO 12 -5.213 -6.352 1.888 65 HD3 PRO 12 2HD PRO 12 -6.272 -7.777 1.919 66 H PHE 13 H PHE 13 -4.352 -5.467 -0.549 67 HA PHE 13 HA PHE 13 -4.408 -4.237 -3.226 68 HB2 PHE 13 1HB PHE 13 -3.602 -2.688 -0.785 69 HB3 PHE 13 2HB PHE 13 -4.189 -2.091 -2.334 70 HD1 PHE 13 HD1 PHE 13 -6.657 -3.255 -2.857 71 HD2 PHE 13 HD2 PHE 13 -5.028 -2.240 0.941 72 HE1 PHE 13 HE1 PHE 13 -8.931 -3.086 -1.931 73 HE2 PHE 13 HE2 PHE 13 -7.298 -2.069 1.874 74 HZ PHE 13 HZ PHE 13 -9.253 -2.493 0.438 75 H LYS 14 H LYS 14 -2.432 -3.571 -4.101 76 HA LYS 14 HA LYS 14 0.022 -4.040 -2.641 77 HB2 LYS 14 1HB LYS 14 -0.513 -6.283 -3.481 78 HB3 LYS 14 2HB LYS 14 -0.636 -5.648 -5.116 79 HG2 LYS 14 1HG LYS 14 1.710 -5.108 -5.135 80 HG3 LYS 14 2HG LYS 14 1.867 -5.588 -3.443 81 HD2 LYS 14 1HD LYS 14 0.882 -7.860 -4.360 82 HD3 LYS 14 2HD LYS 14 1.556 -7.270 -5.881 83 HE2 LYS 14 1HE LYS 14 3.270 -8.553 -4.926 84 HE3 LYS 14 2HE LYS 14 3.713 -6.883 -4.578 85 HZ1 LYS 14 3HZ LYS 14 2.681 -7.184 -2.361 86 HZ2 LYS 14 1HZ LYS 14 4.029 -8.174 -2.618 87 HZ3 LYS 14 2HZ LYS 14 2.471 -8.825 -2.711 88 H CYS 15 H CYS 15 1.728 -2.878 -3.434 89 HA CYS 15 HA CYS 15 1.100 -0.852 -5.387 90 HB2 CYS 15 1HB CYS 15 2.377 -0.254 -3.396 91 HB3 CYS 15 2HB CYS 15 3.638 -1.401 -3.836 92 H GLY 16 H GLY 16 1.180 -1.346 -7.482 93 HA2 GLY 16 1HA GLY 16 2.916 -3.423 -8.484 94 HA3 GLY 16 2HA GLY 16 1.801 -2.446 -9.428 95 H GLU 17 H GLU 17 4.454 -1.399 -7.322 96 HA GLU 17 HA GLU 17 5.872 -0.402 -9.695 97 HB2 GLU 17 1HB GLU 17 5.310 1.154 -7.166 98 HB3 GLU 17 2HB GLU 17 6.422 1.673 -8.425 99 HG2 GLU 17 1HG GLU 17 3.633 1.023 -9.202 100 HG3 GLU 17 2HG GLU 17 3.931 2.524 -8.327 101 H CYS 18 H CYS 18 6.125 -0.842 -6.169 102 HA CYS 18 HA CYS 18 8.947 -1.591 -6.550 103 HB2 CYS 18 1HB CYS 18 9.341 -0.922 -4.257 104 HB3 CYS 18 2HB CYS 18 8.546 0.396 -5.111 105 H GLY 19 H GLY 19 5.959 -2.434 -4.847 106 HA2 GLY 19 1HA GLY 19 5.453 -4.879 -4.921 107 HA3 GLY 19 2HA GLY 19 7.105 -5.117 -4.368 108 H LYS 20 H LYS 20 5.257 -2.470 -3.113 109 HA LYS 20 HA LYS 20 5.268 -3.759 -0.486 110 HB2 LYS 20 1HB LYS 20 5.169 -0.930 -1.442 111 HB3 LYS 20 2HB LYS 20 4.498 -1.309 0.139 112 HG2 LYS 20 1HG LYS 20 6.797 -2.502 0.499 113 HG3 LYS 20 2HG LYS 20 7.320 -1.431 -0.803 114 HD2 LYS 20 1HD LYS 20 6.739 0.507 0.446 115 HD3 LYS 20 2HD LYS 20 5.889 -0.452 1.660 116 HE2 LYS 20 1HE LYS 20 8.768 -1.020 1.183 117 HE3 LYS 20 2HE LYS 20 8.348 0.453 2.056 118 HZ1 LYS 20 3HZ LYS 20 6.814 -1.359 3.290 119 HZ2 LYS 20 1HZ LYS 20 8.355 -0.905 3.820 120 HZ3 LYS 20 2HZ LYS 20 8.158 -2.308 2.896 121 H SER 21 H SER 21 3.479 -4.590 0.354 122 HA SER 21 HA SER 21 0.897 -3.861 -0.848 123 HB2 SER 21 1HB SER 21 0.177 -6.033 0.405 124 HB3 SER 21 2HB SER 21 1.110 -6.172 -1.085 125 HG SER 21 HG SER 21 1.760 -7.368 0.989 126 H TYR 22 H TYR 22 -0.966 -3.693 0.563 127 HA TYR 22 HA TYR 22 -0.393 -3.154 3.377 128 HB2 TYR 22 1HB TYR 22 -1.712 -1.159 1.523 129 HB3 TYR 22 2HB TYR 22 -1.620 -1.000 3.274 130 HD1 TYR 22 HD2 TYR 22 0.482 -1.250 0.219 131 HD2 TYR 22 HD1 TYR 22 0.247 -0.007 4.281 132 HE1 TYR 22 HE2 TYR 22 2.661 -0.131 -0.004 133 HE2 TYR 22 HE1 TYR 22 2.425 1.117 4.070 134 HH TYR 22 HH TYR 22 4.424 1.010 2.678 135 H ASN 23 H ASN 23 -2.256 -3.164 4.730 136 HA ASN 23 HA ASN 23 -4.286 -4.979 3.823 137 HB2 ASN 23 1HB ASN 23 -4.852 -5.232 6.040 138 HB3 ASN 23 2HB ASN 23 -3.190 -4.676 6.212 139 HD21 ASN 23 1HD2 ASN 23 -2.894 -2.337 6.523 140 HD22 ASN 23 2HD2 ASN 23 -4.070 -1.483 7.458 141 H GLN 24 H GLN 24 -4.010 -1.543 4.305 142 HA GLN 24 HA GLN 24 -6.861 -1.231 3.640 143 HB2 GLN 24 1HB GLN 24 -4.982 0.426 5.283 144 HB3 GLN 24 2HB GLN 24 -6.373 1.182 4.517 145 HG2 GLN 24 1HG GLN 24 -7.710 -0.728 5.653 146 HG3 GLN 24 2HG GLN 24 -6.288 -0.862 6.687 147 HE21 GLN 24 1HE2 GLN 24 -6.760 0.048 8.555 148 HE22 GLN 24 2HE2 GLN 24 -7.509 1.590 8.773 149 H ARG 25 H ARG 25 -7.463 0.015 1.921 150 HA ARG 25 HA ARG 25 -5.635 0.350 -0.194 151 HB2 ARG 25 1HB ARG 25 -7.486 1.590 -1.302 152 HB3 ARG 25 2HB ARG 25 -7.978 0.030 -0.656 153 HG2 ARG 25 1HG ARG 25 -8.896 1.198 1.328 154 HG3 ARG 25 2HG ARG 25 -8.509 2.735 0.551 155 HD2 ARG 25 1HD ARG 25 -9.998 2.239 -1.276 156 HD3 ARG 25 2HD ARG 25 -10.295 0.620 -0.643 157 HE ARG 25 HE ARG 25 -11.747 1.515 0.910 158 HH11 ARG 25 1HH1 ARG 25 -10.014 4.061 -0.714 159 HH12 ARG 25 2HH1 ARG 25 -11.019 5.324 -0.085 160 HH21 ARG 25 1HH2 ARG 25 -13.078 3.169 1.743 161 HH22 ARG 25 2HH2 ARG 25 -12.762 4.816 1.313 162 H VAL 26 H VAL 26 -6.948 2.604 2.184 163 HA VAL 26 HA VAL 26 -5.899 4.967 1.054 164 HB VAL 26 HB VAL 26 -7.653 5.055 2.735 165 HG11 VAL 26 1HG1 VAL 26 -6.858 3.112 4.061 166 HG12 VAL 26 2HG1 VAL 26 -5.586 4.137 4.729 167 HG13 VAL 26 3HG1 VAL 26 -7.281 4.512 5.047 168 HG21 VAL 26 3HG2 VAL 26 -5.066 6.386 3.512 169 HG22 VAL 26 1HG2 VAL 26 -6.380 7.050 2.541 170 HG23 VAL 26 2HG2 VAL 26 -6.615 6.765 4.265 171 H HIS 27 H HIS 27 -4.518 2.506 3.106 172 HA HIS 27 HA HIS 27 -2.233 4.020 3.911 173 HB2 HIS 27 1HB HIS 27 -3.116 1.187 4.130 174 HB3 HIS 27 2HB HIS 27 -1.392 1.510 4.290 175 HD1 HIS 27 HD1 HIS 27 -0.650 2.032 6.587 176 HD2 HIS 27 HD2 HIS 27 -4.678 2.891 6.033 177 HE1 HIS 27 HE1 HIS 27 -1.496 2.770 8.838 178 H LEU 28 H LEU 28 -3.106 2.328 1.069 179 HA LEU 28 HA LEU 28 -0.376 1.907 0.185 180 HB2 LEU 28 1HB LEU 28 -1.906 0.225 -0.463 181 HB3 LEU 28 2HB LEU 28 -3.066 1.410 -1.059 182 HG LEU 28 HG LEU 28 -1.534 1.942 -2.914 183 HD11 LEU 28 1HD1 LEU 28 0.547 1.123 -3.123 184 HD12 LEU 28 2HD1 LEU 28 0.103 -0.459 -2.484 185 HD13 LEU 28 3HD1 LEU 28 0.424 0.879 -1.381 186 HD21 LEU 28 3HD2 LEU 28 -1.594 -0.771 -3.582 187 HD22 LEU 28 1HD2 LEU 28 -2.809 0.452 -3.955 188 HD23 LEU 28 2HD2 LEU 28 -2.959 -0.522 -2.492 189 H THR 29 H THR 29 -3.185 3.760 -0.997 190 HA THR 29 HA THR 29 -2.017 5.145 -3.050 191 HB THR 29 HB THR 29 -4.456 5.239 -2.134 192 HG1 THR 29 HG1 THR 29 -4.429 6.423 -3.886 193 HG21 THR 29 3HG2 THR 29 -5.024 6.842 -0.608 194 HG22 THR 29 1HG2 THR 29 -3.667 7.885 -1.033 195 HG23 THR 29 2HG2 THR 29 -3.405 6.465 -0.020 196 H GLN 30 H GLN 30 -1.661 5.690 0.387 197 HA GLN 30 HA GLN 30 -0.392 8.243 0.134 198 HB2 GLN 30 1HB GLN 30 -0.797 6.287 2.365 199 HB3 GLN 30 2HB GLN 30 0.343 7.610 2.566 200 HG2 GLN 30 1HG GLN 30 -1.508 9.181 1.967 201 HG3 GLN 30 2HG GLN 30 -2.607 7.804 2.028 202 HE21 GLN 30 1HE2 GLN 30 -3.702 7.741 3.841 203 HE22 GLN 30 2HE2 GLN 30 -3.119 8.179 5.407 204 H HIS 31 H HIS 31 0.699 4.908 0.383 205 HA HIS 31 HA HIS 31 3.450 5.491 0.751 206 HB2 HIS 31 1HB HIS 31 2.981 3.318 1.350 207 HB3 HIS 31 2HB HIS 31 1.861 3.077 0.012 208 HD1 HIS 31 HD1 HIS 31 5.616 3.574 0.437 209 HD2 HIS 31 HD2 HIS 31 2.893 1.490 -1.910 210 HE1 HIS 31 HE1 HIS 31 7.005 2.150 -1.101 211 H GLN 32 H GLN 32 1.516 4.710 -2.122 212 HA GLN 32 HA GLN 32 3.432 4.543 -4.055 213 HB2 GLN 32 1HB GLN 32 0.734 5.889 -4.208 214 HB3 GLN 32 2HB GLN 32 1.732 5.547 -5.614 215 HG2 GLN 32 1HG GLN 32 1.634 3.159 -5.100 216 HG3 GLN 32 2HG GLN 32 0.620 3.507 -3.701 217 HE21 GLN 32 1HE2 GLN 32 -0.457 1.800 -5.325 218 HE22 GLN 32 2HE2 GLN 32 -1.678 2.501 -6.326 219 H ARG 33 H ARG 33 2.549 7.329 -2.227 220 HA ARG 33 HA ARG 33 3.359 9.392 -3.919 221 HB2 ARG 33 1HB ARG 33 3.390 9.138 -0.915 222 HB3 ARG 33 2HB ARG 33 3.853 10.620 -1.739 223 HG2 ARG 33 1HG ARG 33 1.638 10.750 -2.759 224 HG3 ARG 33 2HG ARG 33 1.174 9.261 -1.934 225 HD2 ARG 33 1HD ARG 33 0.330 11.181 -0.722 226 HD3 ARG 33 2HD ARG 33 1.564 10.358 0.230 227 HE ARG 33 HE ARG 33 2.836 12.252 0.132 228 HH11 ARG 33 1HH1 ARG 33 0.415 12.394 -2.365 229 HH12 ARG 33 2HH1 ARG 33 0.796 14.020 -2.824 230 HH21 ARG 33 1HH2 ARG 33 3.347 14.394 -0.463 231 HH22 ARG 33 2HH2 ARG 33 2.465 15.157 -1.742 232 H VAL 34 H VAL 34 5.243 7.434 -1.646 233 HA VAL 34 HA VAL 34 7.667 8.719 -1.706 234 HB VAL 34 HB VAL 34 8.728 6.626 -1.180 235 HG11 VAL 34 1HG1 VAL 34 6.715 5.714 0.390 236 HG12 VAL 34 2HG1 VAL 34 7.725 7.109 0.775 237 HG13 VAL 34 3HG1 VAL 34 6.146 7.342 0.024 238 HG21 VAL 34 3HG2 VAL 34 6.736 5.548 -2.915 239 HG22 VAL 34 1HG2 VAL 34 8.160 4.759 -2.238 240 HG23 VAL 34 2HG2 VAL 34 6.635 4.736 -1.353 241 H HIS 35 H HIS 35 6.131 6.923 -4.242 242 HA HIS 35 HA HIS 35 8.540 6.694 -5.832 243 HB2 HIS 35 1HB HIS 35 5.670 6.126 -6.602 244 HB3 HIS 35 2HB HIS 35 7.106 5.645 -7.501 245 HD1 HIS 35 HD1 HIS 35 8.759 4.543 -5.101 246 HD2 HIS 35 HD2 HIS 35 4.774 3.649 -5.861 247 HE1 HIS 35 HE1 HIS 35 8.332 2.347 -3.953 248 H THR 36 H THR 36 7.433 9.350 -5.012 249 HA THR 36 HA THR 36 6.545 10.544 -7.498 250 HB THR 36 HB THR 36 6.753 12.703 -6.108 251 HG1 THR 36 HG1 THR 36 6.692 12.217 -3.803 252 HG21 THR 36 3HG2 THR 36 4.730 11.753 -4.608 253 HG22 THR 36 1HG2 THR 36 4.820 10.484 -5.829 254 HG23 THR 36 2HG2 THR 36 4.561 12.160 -6.315 255 H GLY 37 H GLY 37 7.963 11.027 -9.038 256 HA2 GLY 37 1HA GLY 37 10.693 11.807 -8.238 257 HA3 GLY 37 2HA GLY 37 10.268 11.086 -9.784 258 H GLU 38 H GLU 38 11.135 13.899 -8.328 259 HA GLU 38 HA GLU 38 9.532 15.642 -10.033 260 HB2 GLU 38 1HB GLU 38 10.585 17.482 -8.804 261 HB3 GLU 38 2HB GLU 38 9.861 16.314 -7.706 262 HG2 GLU 38 1HG GLU 38 11.840 16.636 -6.653 263 HG3 GLU 38 2HG GLU 38 12.299 15.311 -7.721 264 H LYS 39 H LYS 39 11.280 13.911 -11.391 265 HA LYS 39 HA LYS 39 13.020 15.881 -12.682 266 HB2 LYS 39 1HB LYS 39 14.830 14.205 -12.876 267 HB3 LYS 39 2HB LYS 39 14.502 14.656 -11.208 268 HG2 LYS 39 1HG LYS 39 14.645 12.408 -10.958 269 HG3 LYS 39 2HG LYS 39 12.924 12.536 -11.328 270 HD2 LYS 39 1HD LYS 39 13.645 12.234 -13.781 271 HD3 LYS 39 2HD LYS 39 15.176 11.666 -13.111 272 HE2 LYS 39 1HE LYS 39 13.820 9.750 -13.498 273 HE3 LYS 39 2HE LYS 39 13.864 10.015 -11.756 274 HZ1 LYS 39 3HZ LYS 39 11.692 10.827 -11.755 275 HZ2 LYS 39 1HZ LYS 39 11.626 9.502 -12.806 276 HZ3 LYS 39 2HZ LYS 39 11.668 11.074 -13.428 277 HA PRO 40 HA PRO 40 11.340 14.248 -16.399 278 HB2 PRO 40 1HB PRO 40 13.352 14.816 -18.131 279 HB3 PRO 40 2HB PRO 40 12.284 16.055 -17.461 280 HG2 PRO 40 1HG PRO 40 15.047 15.276 -16.613 281 HG3 PRO 40 2HG PRO 40 14.347 16.895 -16.794 282 HD2 PRO 40 1HD PRO 40 14.610 15.682 -14.387 283 HD3 PRO 40 2HD PRO 40 13.279 16.798 -14.753 284 H SER 41 H SER 41 11.191 12.257 -17.224 285 HA SER 41 HA SER 41 13.200 10.291 -16.616 286 HB2 SER 41 1HB SER 41 10.771 9.779 -16.523 287 HB3 SER 41 2HB SER 41 10.679 10.003 -18.270 288 HG SER 41 HG SER 41 12.564 8.331 -18.082 289 H GLY 42 H GLY 42 15.040 10.547 -17.778 290 HA2 GLY 42 1HA GLY 42 15.833 9.521 -19.968 291 HA3 GLY 42 2HA GLY 42 14.778 10.713 -20.713 292 HA PRO 43 HA PRO 43 19.171 12.356 -19.928 293 HB2 PRO 43 1HB PRO 43 20.058 12.316 -22.494 294 HB3 PRO 43 2HB PRO 43 20.277 10.961 -21.381 295 HG2 PRO 43 1HG PRO 43 18.218 11.340 -23.520 296 HG3 PRO 43 2HG PRO 43 19.149 9.888 -23.108 297 HD2 PRO 43 1HD PRO 43 16.586 10.251 -22.313 298 HD3 PRO 43 2HD PRO 43 17.769 9.354 -21.340 299 H SER 44 H SER 44 19.009 14.490 -19.706 300 HA SER 44 HA SER 44 17.206 16.228 -20.644 301 HB2 SER 44 1HB SER 44 18.797 17.063 -19.105 302 HB3 SER 44 2HB SER 44 20.150 16.675 -20.168 303 HG SER 44 HG SER 44 18.202 18.466 -21.077 304 H SER 45 H SER 45 16.766 17.426 -22.444 305 HA SER 45 HA SER 45 17.357 16.424 -24.952 306 HB2 SER 45 1HB SER 45 16.306 19.050 -23.973 307 HB3 SER 45 2HB SER 45 16.726 18.883 -25.678 308 HG SER 45 HG SER 45 14.535 18.041 -24.427 309 H GLY 46 H GLY 46 18.835 16.881 -26.542 310 HA2 GLY 46 1HA GLY 46 20.720 17.776 -27.536 311 HA3 GLY 46 2HA GLY 46 20.734 19.021 -26.296 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.899 -30.026 -6.081 2 HA2 GLY 1 1HA GLY 1 12.744 -28.854 -8.653 3 HA3 GLY 1 2HA GLY 1 11.445 -28.235 -7.644 4 H SER 2 H SER 2 12.158 -26.158 -7.436 5 HA SER 2 HA SER 2 14.774 -25.795 -6.127 6 HB2 SER 2 1HB SER 2 14.995 -23.678 -7.188 7 HB3 SER 2 2HB SER 2 14.454 -24.788 -8.447 8 HG SER 2 HG SER 2 13.274 -22.830 -8.470 9 H SER 3 H SER 3 14.911 -23.948 -4.635 10 HA SER 3 HA SER 3 12.382 -23.609 -3.164 11 HB2 SER 3 1HB SER 3 14.196 -24.832 -1.960 12 HB3 SER 3 2HB SER 3 15.199 -23.386 -2.078 13 HG SER 3 HG SER 3 13.051 -23.924 -0.431 14 H GLY 4 H GLY 4 12.057 -21.557 -2.061 15 HA2 GLY 4 1HA GLY 4 13.627 -19.274 -2.454 16 HA3 GLY 4 2HA GLY 4 12.462 -19.349 -3.768 17 H SER 5 H SER 5 10.766 -18.101 -3.412 18 HA SER 5 HA SER 5 9.663 -17.980 -0.684 19 HB2 SER 5 1HB SER 5 9.276 -15.641 -0.863 20 HB3 SER 5 2HB SER 5 10.933 -15.890 -1.413 21 HG SER 5 HG SER 5 9.525 -14.511 -2.756 22 H SER 6 H SER 6 7.604 -18.566 -0.564 23 HA SER 6 HA SER 6 6.106 -19.061 -2.987 24 HB2 SER 6 1HB SER 6 5.686 -19.666 -0.077 25 HB3 SER 6 2HB SER 6 4.340 -19.800 -1.208 26 HG SER 6 HG SER 6 6.535 -21.415 -0.885 27 H GLY 7 H GLY 7 5.729 -17.052 -0.076 28 HA2 GLY 7 1HA GLY 7 4.708 -14.818 -1.356 29 HA3 GLY 7 2HA GLY 7 3.320 -15.814 -0.943 30 H THR 8 H THR 8 3.826 -13.210 0.065 31 HA THR 8 HA THR 8 4.161 -13.840 2.923 32 HB THR 8 HB THR 8 5.032 -11.268 1.592 33 HG1 THR 8 HG1 THR 8 6.800 -13.079 2.823 34 HG21 THR 8 3HG2 THR 8 6.141 -11.774 4.194 35 HG22 THR 8 1HG2 THR 8 4.380 -11.831 4.268 36 HG23 THR 8 2HG2 THR 8 5.191 -10.397 3.637 37 H GLY 9 H GLY 9 1.962 -13.969 3.327 38 HA2 GLY 9 1HA GLY 9 -0.026 -13.058 4.068 39 HA3 GLY 9 2HA GLY 9 0.627 -11.464 3.719 40 H GLU 10 H GLU 10 -1.995 -11.932 3.210 41 HA GLU 10 HA GLU 10 -2.053 -11.911 0.272 42 HB2 GLU 10 1HB GLU 10 -2.923 -14.081 1.238 43 HB3 GLU 10 2HB GLU 10 -4.222 -13.147 1.967 44 HG2 GLU 10 1HG GLU 10 -5.180 -13.952 0.027 45 HG3 GLU 10 2HG GLU 10 -4.685 -12.321 -0.423 46 H LYS 11 H LYS 11 -2.041 -9.625 0.413 47 HA LYS 11 HA LYS 11 -4.382 -8.378 1.657 48 HB2 LYS 11 1HB LYS 11 -1.865 -7.163 0.503 49 HB3 LYS 11 2HB LYS 11 -3.185 -6.243 1.215 50 HG2 LYS 11 1HG LYS 11 -1.727 -6.364 2.974 51 HG3 LYS 11 2HG LYS 11 -2.748 -7.770 3.287 52 HD2 LYS 11 1HD LYS 11 -1.091 -9.212 2.207 53 HD3 LYS 11 2HD LYS 11 -0.073 -7.806 1.888 54 HE2 LYS 11 1HE LYS 11 -0.943 -8.367 4.685 55 HE3 LYS 11 2HE LYS 11 0.351 -9.335 3.981 56 HZ1 LYS 11 3HZ LYS 11 1.579 -7.310 3.526 57 HZ2 LYS 11 1HZ LYS 11 1.214 -7.417 5.174 58 HZ3 LYS 11 2HZ LYS 11 0.332 -6.372 4.179 59 HA PRO 12 HA PRO 12 -6.441 -7.864 -2.199 60 HB2 PRO 12 1HB PRO 12 -8.009 -5.738 -1.574 61 HB3 PRO 12 2HB PRO 12 -8.314 -7.368 -0.963 62 HG2 PRO 12 1HG PRO 12 -6.970 -5.060 0.389 63 HG3 PRO 12 2HG PRO 12 -8.153 -6.208 1.045 64 HD2 PRO 12 1HD PRO 12 -5.495 -6.423 1.519 65 HD3 PRO 12 2HD PRO 12 -6.562 -7.837 1.400 66 H PHE 13 H PHE 13 -4.342 -5.532 -0.864 67 HA PHE 13 HA PHE 13 -4.262 -4.108 -3.440 68 HB2 PHE 13 1HB PHE 13 -3.542 -2.744 -0.864 69 HB3 PHE 13 2HB PHE 13 -4.016 -2.028 -2.402 70 HD1 PHE 13 HD1 PHE 13 -6.486 -3.212 -3.109 71 HD2 PHE 13 HD2 PHE 13 -5.052 -2.209 0.771 72 HE1 PHE 13 HE1 PHE 13 -8.804 -3.019 -2.306 73 HE2 PHE 13 HE2 PHE 13 -7.367 -2.015 1.580 74 HZ PHE 13 HZ PHE 13 -9.247 -2.421 0.042 75 H LYS 14 H LYS 14 -2.252 -3.591 -4.250 76 HA LYS 14 HA LYS 14 0.131 -4.132 -2.689 77 HB2 LYS 14 1HB LYS 14 -0.482 -6.344 -3.611 78 HB3 LYS 14 2HB LYS 14 -0.433 -5.667 -5.233 79 HG2 LYS 14 1HG LYS 14 2.007 -5.010 -4.564 80 HG3 LYS 14 2HG LYS 14 1.804 -6.295 -3.372 81 HD2 LYS 14 1HD LYS 14 1.690 -7.938 -4.962 82 HD3 LYS 14 2HD LYS 14 1.025 -6.856 -6.187 83 HE2 LYS 14 1HE LYS 14 3.214 -5.787 -6.426 84 HE3 LYS 14 2HE LYS 14 3.876 -6.866 -5.198 85 HZ1 LYS 14 3HZ LYS 14 4.467 -7.880 -7.171 86 HZ2 LYS 14 1HZ LYS 14 3.010 -7.502 -7.943 87 HZ3 LYS 14 2HZ LYS 14 3.052 -8.711 -6.761 88 H CYS 15 H CYS 15 1.823 -2.899 -3.314 89 HA CYS 15 HA CYS 15 1.353 -0.909 -5.344 90 HB2 CYS 15 1HB CYS 15 2.441 -0.019 -3.484 91 HB3 CYS 15 2HB CYS 15 3.510 -1.409 -3.320 92 H GLY 16 H GLY 16 1.720 -1.292 -7.423 93 HA2 GLY 16 1HA GLY 16 3.594 -3.375 -8.219 94 HA3 GLY 16 2HA GLY 16 2.480 -2.515 -9.272 95 H GLU 17 H GLU 17 4.972 -1.299 -7.048 96 HA GLU 17 HA GLU 17 6.417 -0.214 -9.364 97 HB2 GLU 17 1HB GLU 17 5.805 1.325 -6.835 98 HB3 GLU 17 2HB GLU 17 6.754 1.908 -8.195 99 HG2 GLU 17 1HG GLU 17 4.856 1.968 -9.610 100 HG3 GLU 17 2HG GLU 17 3.876 1.085 -8.441 101 H CYS 18 H CYS 18 6.484 -0.980 -5.911 102 HA CYS 18 HA CYS 18 9.375 -1.495 -6.166 103 HB2 CYS 18 1HB CYS 18 9.728 -0.737 -3.924 104 HB3 CYS 18 2HB CYS 18 8.799 0.508 -4.753 105 H GLY 19 H GLY 19 6.372 -2.385 -4.508 106 HA2 GLY 19 1HA GLY 19 5.916 -4.841 -4.565 107 HA3 GLY 19 2HA GLY 19 7.564 -5.040 -3.988 108 H LYS 20 H LYS 20 5.090 -2.719 -2.957 109 HA LYS 20 HA LYS 20 5.221 -3.923 -0.269 110 HB2 LYS 20 1HB LYS 20 5.201 -1.062 -1.153 111 HB3 LYS 20 2HB LYS 20 4.512 -1.488 0.408 112 HG2 LYS 20 1HG LYS 20 6.820 -2.743 0.683 113 HG3 LYS 20 2HG LYS 20 7.334 -1.540 -0.502 114 HD2 LYS 20 1HD LYS 20 6.113 0.124 1.111 115 HD3 LYS 20 2HD LYS 20 6.359 -1.161 2.296 116 HE2 LYS 20 1HE LYS 20 8.804 -1.134 1.520 117 HE3 LYS 20 2HE LYS 20 8.412 0.414 0.773 118 HZ1 LYS 20 3HZ LYS 20 7.426 0.660 3.288 119 HZ2 LYS 20 1HZ LYS 20 8.907 1.277 2.749 120 HZ3 LYS 20 2HZ LYS 20 8.850 -0.219 3.536 121 H SER 21 H SER 21 3.372 -4.736 0.448 122 HA SER 21 HA SER 21 0.870 -3.883 -0.840 123 HB2 SER 21 1HB SER 21 -0.056 -6.041 -0.095 124 HB3 SER 21 2HB SER 21 1.390 -6.272 -1.078 125 HG SER 21 HG SER 21 2.549 -6.745 0.739 126 H TYR 22 H TYR 22 -1.055 -3.744 0.499 127 HA TYR 22 HA TYR 22 -0.618 -3.381 3.358 128 HB2 TYR 22 1HB TYR 22 -1.640 -1.196 1.536 129 HB3 TYR 22 2HB TYR 22 -1.766 -1.155 3.292 130 HD1 TYR 22 HD2 TYR 22 0.585 -1.079 0.451 131 HD2 TYR 22 HD1 TYR 22 0.117 -0.600 4.653 132 HE1 TYR 22 HE2 TYR 22 2.829 -0.082 0.582 133 HE2 TYR 22 HE1 TYR 22 2.360 0.400 4.795 134 HH TYR 22 HH TYR 22 4.064 1.476 2.117 135 H ASN 23 H ASN 23 -2.531 -3.431 4.603 136 HA ASN 23 HA ASN 23 -4.641 -4.978 3.397 137 HB2 ASN 23 1HB ASN 23 -3.981 -4.082 6.179 138 HB3 ASN 23 2HB ASN 23 -5.600 -4.677 5.824 139 HD21 ASN 23 1HD2 ASN 23 -2.834 -5.599 7.112 140 HD22 ASN 23 2HD2 ASN 23 -2.801 -7.270 6.674 141 H GLN 24 H GLN 24 -4.148 -1.679 4.419 142 HA GLN 24 HA GLN 24 -6.959 -1.055 3.842 143 HB2 GLN 24 1HB GLN 24 -4.828 0.463 5.344 144 HB3 GLN 24 2HB GLN 24 -6.378 1.170 4.908 145 HG2 GLN 24 1HG GLN 24 -6.695 0.469 7.090 146 HG3 GLN 24 2HG GLN 24 -7.411 -0.829 6.135 147 HE21 GLN 24 1HE2 GLN 24 -7.159 -2.263 7.870 148 HE22 GLN 24 2HE2 GLN 24 -5.619 -2.935 8.271 149 H ARG 25 H ARG 25 -7.478 0.745 2.500 150 HA ARG 25 HA ARG 25 -5.791 0.939 0.195 151 HB2 ARG 25 1HB ARG 25 -8.402 2.235 0.964 152 HB3 ARG 25 2HB ARG 25 -7.572 2.616 -0.539 153 HG2 ARG 25 1HG ARG 25 -7.883 0.462 -1.393 154 HG3 ARG 25 2HG ARG 25 -8.271 -0.204 0.194 155 HD2 ARG 25 1HD ARG 25 -10.323 1.216 0.205 156 HD3 ARG 25 2HD ARG 25 -9.952 1.675 -1.456 157 HE ARG 25 HE ARG 25 -10.994 -0.861 -0.536 158 HH11 ARG 25 1HH1 ARG 25 -9.445 0.888 -3.118 159 HH12 ARG 25 2HH1 ARG 25 -9.938 -0.230 -4.346 160 HH21 ARG 25 1HH2 ARG 25 -11.649 -2.340 -2.145 161 HH22 ARG 25 2HH2 ARG 25 -11.193 -2.065 -3.792 162 H VAL 26 H VAL 26 -6.796 3.180 2.756 163 HA VAL 26 HA VAL 26 -5.488 5.462 1.789 164 HB VAL 26 HB VAL 26 -7.155 5.559 3.583 165 HG11 VAL 26 1HG1 VAL 26 -6.594 3.562 4.811 166 HG12 VAL 26 2HG1 VAL 26 -5.020 4.230 5.248 167 HG13 VAL 26 3HG1 VAL 26 -6.495 4.952 5.891 168 HG21 VAL 26 3HG2 VAL 26 -4.821 7.045 3.380 169 HG22 VAL 26 1HG2 VAL 26 -6.281 7.493 4.262 170 HG23 VAL 26 2HG2 VAL 26 -4.958 6.683 5.100 171 H HIS 27 H HIS 27 -4.176 2.580 2.885 172 HA HIS 27 HA HIS 27 -1.718 3.791 3.893 173 HB2 HIS 27 1HB HIS 27 -2.922 1.070 3.971 174 HB3 HIS 27 2HB HIS 27 -1.165 1.183 4.018 175 HD1 HIS 27 HD1 HIS 27 -0.145 1.642 6.242 176 HD2 HIS 27 HD2 HIS 27 -4.197 2.554 6.155 177 HE1 HIS 27 HE1 HIS 27 -0.754 2.223 8.611 178 H LEU 28 H LEU 28 -2.991 2.215 1.079 179 HA LEU 28 HA LEU 28 -0.405 1.668 -0.081 180 HB2 LEU 28 1HB LEU 28 -2.274 0.209 -0.576 181 HB3 LEU 28 2HB LEU 28 -3.186 1.563 -1.240 182 HG LEU 28 HG LEU 28 -1.533 1.743 -3.064 183 HD11 LEU 28 1HD1 LEU 28 0.124 0.030 -3.402 184 HD12 LEU 28 2HD1 LEU 28 -0.397 -0.814 -1.944 185 HD13 LEU 28 3HD1 LEU 28 0.369 0.769 -1.819 186 HD21 LEU 28 3HD2 LEU 28 -2.757 0.327 -4.278 187 HD22 LEU 28 1HD2 LEU 28 -3.579 -0.076 -2.770 188 HD23 LEU 28 2HD2 LEU 28 -2.234 -1.069 -3.333 189 H THR 29 H THR 29 -3.090 3.897 -0.784 190 HA THR 29 HA THR 29 -1.906 5.265 -2.903 191 HB THR 29 HB THR 29 -4.323 5.429 -1.944 192 HG1 THR 29 HG1 THR 29 -4.531 7.029 -3.349 193 HG21 THR 29 3HG2 THR 29 -4.792 7.162 -0.439 194 HG22 THR 29 1HG2 THR 29 -3.197 7.887 -0.633 195 HG23 THR 29 2HG2 THR 29 -3.376 6.373 0.254 196 H GLN 30 H GLN 30 -1.611 5.747 0.575 197 HA GLN 30 HA GLN 30 -0.133 8.181 0.375 198 HB2 GLN 30 1HB GLN 30 -0.642 6.228 2.605 199 HB3 GLN 30 2HB GLN 30 0.452 7.588 2.813 200 HG2 GLN 30 1HG GLN 30 -1.336 9.143 2.335 201 HG3 GLN 30 2HG GLN 30 -2.442 7.808 2.016 202 HE21 GLN 30 1HE2 GLN 30 -2.675 9.942 3.961 203 HE22 GLN 30 2HE2 GLN 30 -2.783 9.184 5.509 204 H HIS 31 H HIS 31 0.654 4.901 -0.049 205 HA HIS 31 HA HIS 31 3.480 5.283 0.562 206 HB2 HIS 31 1HB HIS 31 2.772 3.183 1.305 207 HB3 HIS 31 2HB HIS 31 1.783 2.903 -0.125 208 HD1 HIS 31 HD1 HIS 31 5.465 3.169 0.784 209 HD2 HIS 31 HD2 HIS 31 2.972 1.324 -1.980 210 HE1 HIS 31 HE1 HIS 31 6.957 1.658 -0.564 211 H GLN 32 H GLN 32 1.363 4.658 -2.196 212 HA GLN 32 HA GLN 32 3.345 4.323 -4.147 213 HB2 GLN 32 1HB GLN 32 0.560 5.460 -4.445 214 HB3 GLN 32 2HB GLN 32 1.578 4.913 -5.770 215 HG2 GLN 32 1HG GLN 32 1.482 2.658 -5.014 216 HG3 GLN 32 2HG GLN 32 0.693 3.137 -3.512 217 HE21 GLN 32 1HE2 GLN 32 0.295 2.439 -6.857 218 HE22 GLN 32 2HE2 GLN 32 -1.430 2.538 -6.897 219 H ARG 33 H ARG 33 2.181 7.148 -2.542 220 HA ARG 33 HA ARG 33 2.871 9.102 -4.447 221 HB2 ARG 33 1HB ARG 33 2.398 10.652 -2.817 222 HB3 ARG 33 2HB ARG 33 1.545 9.254 -2.176 223 HG2 ARG 33 1HG ARG 33 3.313 8.804 -0.627 224 HG3 ARG 33 2HG ARG 33 4.329 10.049 -1.357 225 HD2 ARG 33 1HD ARG 33 2.798 11.774 -0.641 226 HD3 ARG 33 2HD ARG 33 1.675 10.564 -0.022 227 HE ARG 33 HE ARG 33 3.947 10.051 1.350 228 HH11 ARG 33 1HH1 ARG 33 2.090 12.944 0.798 229 HH12 ARG 33 2HH1 ARG 33 2.520 13.665 2.313 230 HH21 ARG 33 1HH2 ARG 33 4.520 10.991 3.348 231 HH22 ARG 33 2HH2 ARG 33 3.903 12.554 3.762 232 H VAL 34 H VAL 34 4.760 7.303 -2.138 233 HA VAL 34 HA VAL 34 7.036 8.941 -2.015 234 HB VAL 34 HB VAL 34 8.200 7.098 -1.106 235 HG11 VAL 34 1HG1 VAL 34 6.923 6.903 0.714 236 HG12 VAL 34 2HG1 VAL 34 5.708 7.825 -0.173 237 HG13 VAL 34 3HG1 VAL 34 5.650 6.062 -0.170 238 HG21 VAL 34 3HG2 VAL 34 6.591 4.837 -1.440 239 HG22 VAL 34 1HG2 VAL 34 6.676 5.594 -3.031 240 HG23 VAL 34 2HG2 VAL 34 8.159 5.153 -2.184 241 H HIS 35 H HIS 35 5.779 7.082 -4.573 242 HA HIS 35 HA HIS 35 8.367 6.920 -5.935 243 HB2 HIS 35 1HB HIS 35 5.701 5.822 -6.844 244 HB3 HIS 35 2HB HIS 35 7.285 5.449 -7.516 245 HD1 HIS 35 HD1 HIS 35 8.919 4.648 -5.175 246 HD2 HIS 35 HD2 HIS 35 4.907 3.620 -5.507 247 HE1 HIS 35 HE1 HIS 35 8.613 2.642 -3.689 248 H THR 36 H THR 36 5.449 8.730 -5.876 249 HA THR 36 HA THR 36 6.139 10.011 -8.437 250 HB THR 36 HB THR 36 3.739 10.973 -8.178 251 HG1 THR 36 HG1 THR 36 3.265 8.590 -6.750 252 HG21 THR 36 3HG2 THR 36 4.028 8.022 -8.738 253 HG22 THR 36 1HG2 THR 36 4.513 9.289 -9.863 254 HG23 THR 36 2HG2 THR 36 2.820 9.124 -9.398 255 H GLY 37 H GLY 37 7.771 11.293 -7.357 256 HA2 GLY 37 1HA GLY 37 8.543 13.092 -6.124 257 HA3 GLY 37 2HA GLY 37 7.180 13.889 -6.894 258 H GLU 38 H GLU 38 7.030 15.243 -5.024 259 HA GLU 38 HA GLU 38 5.646 13.912 -2.793 260 HB2 GLU 38 1HB GLU 38 7.884 14.545 -2.057 261 HB3 GLU 38 2HB GLU 38 7.620 16.194 -2.607 262 HG2 GLU 38 1HG GLU 38 5.602 16.123 -0.963 263 HG3 GLU 38 2HG GLU 38 6.490 14.785 -0.237 264 H LYS 39 H LYS 39 3.696 14.705 -2.346 265 HA LYS 39 HA LYS 39 2.218 16.358 -3.855 266 HB2 LYS 39 1HB LYS 39 0.730 16.678 -2.015 267 HB3 LYS 39 2HB LYS 39 1.441 15.080 -1.836 268 HG2 LYS 39 1HG LYS 39 3.108 16.155 -0.258 269 HG3 LYS 39 2HG LYS 39 2.057 17.572 -0.281 270 HD2 LYS 39 1HD LYS 39 0.181 16.145 0.472 271 HD3 LYS 39 2HD LYS 39 1.297 14.781 0.580 272 HE2 LYS 39 1HE LYS 39 2.665 16.168 2.172 273 HE3 LYS 39 2HE LYS 39 1.341 17.332 2.181 274 HZ1 LYS 39 3HZ LYS 39 1.299 15.704 4.038 275 HZ2 LYS 39 1HZ LYS 39 1.020 14.475 2.909 276 HZ3 LYS 39 2HZ LYS 39 -0.113 15.715 3.105 277 HA PRO 40 HA PRO 40 3.843 20.442 -3.618 278 HB2 PRO 40 1HB PRO 40 1.616 21.835 -4.305 279 HB3 PRO 40 2HB PRO 40 2.561 20.899 -5.469 280 HG2 PRO 40 1HG PRO 40 0.026 20.162 -4.058 281 HG3 PRO 40 2HG PRO 40 0.474 19.914 -5.756 282 HD2 PRO 40 1HD PRO 40 0.611 17.938 -3.910 283 HD3 PRO 40 2HD PRO 40 1.734 18.043 -5.282 284 H SER 41 H SER 41 4.258 21.619 -1.866 285 HA SER 41 HA SER 41 2.925 21.470 0.546 286 HB2 SER 41 1HB SER 41 5.143 22.357 0.509 287 HB3 SER 41 2HB SER 41 4.675 23.658 -0.586 288 HG SER 41 HG SER 41 4.321 24.769 1.152 289 H GLY 42 H GLY 42 1.280 22.551 1.527 290 HA2 GLY 42 1HA GLY 42 -0.201 24.469 -0.164 291 HA3 GLY 42 2HA GLY 42 -0.971 23.343 0.943 292 HA PRO 43 HA PRO 43 -0.725 27.395 3.119 293 HB2 PRO 43 1HB PRO 43 -3.185 27.185 4.248 294 HB3 PRO 43 2HB PRO 43 -2.926 27.827 2.622 295 HG2 PRO 43 1HG PRO 43 -3.789 25.086 3.461 296 HG3 PRO 43 2HG PRO 43 -4.408 26.100 2.144 297 HD2 PRO 43 1HD PRO 43 -2.669 24.068 1.723 298 HD3 PRO 43 2HD PRO 43 -2.678 25.539 0.729 299 H SER 44 H SER 44 -1.029 24.121 3.997 300 HA SER 44 HA SER 44 -0.990 24.628 6.861 301 HB2 SER 44 1HB SER 44 -0.935 22.132 7.030 302 HB3 SER 44 2HB SER 44 -2.318 22.746 6.124 303 HG SER 44 HG SER 44 -0.924 20.913 5.245 304 H SER 45 H SER 45 1.187 25.755 5.592 305 HA SER 45 HA SER 45 3.494 24.265 5.336 306 HB2 SER 45 1HB SER 45 3.023 27.097 6.242 307 HB3 SER 45 2HB SER 45 4.654 26.431 6.149 308 HG SER 45 HG SER 45 4.046 27.482 4.210 309 H GLY 46 H GLY 46 2.277 25.852 8.287 310 HA2 GLY 46 1HA GLY 46 4.338 24.781 9.948 311 HA3 GLY 46 2HA GLY 46 2.867 25.570 10.496 Start of MODEL 7 1 H1 GLY 1 H GLY 1 16.206 -25.803 -1.175 2 HA2 GLY 1 1HA GLY 1 15.256 -25.084 -3.760 3 HA3 GLY 1 2HA GLY 1 15.661 -26.793 -3.701 4 H SER 2 H SER 2 14.276 -24.763 -1.150 5 HA SER 2 HA SER 2 12.202 -26.721 -0.704 6 HB2 SER 2 1HB SER 2 12.844 -24.095 0.652 7 HB3 SER 2 2HB SER 2 11.523 -25.154 1.145 8 HG SER 2 HG SER 2 14.284 -25.818 1.082 9 H SER 3 H SER 3 10.063 -26.539 -1.155 10 HA SER 3 HA SER 3 9.114 -25.215 -3.314 11 HB2 SER 3 1HB SER 3 7.522 -25.769 -0.798 12 HB3 SER 3 2HB SER 3 6.850 -25.496 -2.406 13 HG SER 3 HG SER 3 8.415 -27.374 -2.907 14 H GLY 4 H GLY 4 8.747 -24.028 0.033 15 HA2 GLY 4 1HA GLY 4 9.491 -21.485 -0.100 16 HA3 GLY 4 2HA GLY 4 7.975 -21.405 -0.985 17 H SER 5 H SER 5 6.652 -23.421 0.631 18 HA SER 5 HA SER 5 5.133 -23.323 2.345 19 HB2 SER 5 1HB SER 5 7.850 -23.101 3.561 20 HB3 SER 5 2HB SER 5 6.450 -22.905 4.615 21 HG SER 5 HG SER 5 6.288 -24.988 4.589 22 H SER 6 H SER 6 4.912 -21.015 1.012 23 HA SER 6 HA SER 6 4.840 -18.934 3.097 24 HB2 SER 6 1HB SER 6 6.247 -18.122 1.384 25 HB3 SER 6 2HB SER 6 5.200 -18.749 0.111 26 HG SER 6 HG SER 6 4.516 -16.660 1.908 27 H GLY 7 H GLY 7 2.830 -19.326 3.953 28 HA2 GLY 7 1HA GLY 7 0.583 -18.600 2.221 29 HA3 GLY 7 2HA GLY 7 0.501 -20.147 3.052 30 H THR 8 H THR 8 0.835 -16.663 3.587 31 HA THR 8 HA THR 8 -0.232 -17.026 6.303 32 HB THR 8 HB THR 8 0.515 -14.655 6.667 33 HG1 THR 8 HG1 THR 8 0.745 -13.803 4.662 34 HG21 THR 8 3HG2 THR 8 2.652 -15.286 7.255 35 HG22 THR 8 1HG2 THR 8 2.897 -16.223 5.782 36 HG23 THR 8 2HG2 THR 8 1.880 -16.861 7.073 37 H GLY 9 H GLY 9 -0.553 -14.876 3.474 38 HA2 GLY 9 1HA GLY 9 -3.299 -14.932 3.271 39 HA3 GLY 9 2HA GLY 9 -2.953 -13.662 4.435 40 H GLU 10 H GLU 10 -4.173 -13.417 1.813 41 HA GLU 10 HA GLU 10 -2.119 -11.880 0.374 42 HB2 GLU 10 1HB GLU 10 -3.592 -13.781 -0.699 43 HB3 GLU 10 2HB GLU 10 -4.795 -12.504 -0.805 44 HG2 GLU 10 1HG GLU 10 -3.501 -11.237 -2.269 45 HG3 GLU 10 2HG GLU 10 -2.024 -12.110 -1.864 46 H LYS 11 H LYS 11 -2.223 -9.733 0.341 47 HA LYS 11 HA LYS 11 -4.349 -8.379 1.732 48 HB2 LYS 11 1HB LYS 11 -1.936 -7.299 0.265 49 HB3 LYS 11 2HB LYS 11 -3.032 -6.335 1.245 50 HG2 LYS 11 1HG LYS 11 -1.220 -6.745 2.644 51 HG3 LYS 11 2HG LYS 11 -2.431 -7.924 3.155 52 HD2 LYS 11 1HD LYS 11 -1.317 -9.692 2.057 53 HD3 LYS 11 2HD LYS 11 -0.294 -8.581 1.143 54 HE2 LYS 11 1HE LYS 11 1.086 -9.458 2.837 55 HE3 LYS 11 2HE LYS 11 0.646 -7.840 3.381 56 HZ1 LYS 11 3HZ LYS 11 -1.156 -9.921 4.250 57 HZ2 LYS 11 1HZ LYS 11 -0.466 -8.649 5.127 58 HZ3 LYS 11 2HZ LYS 11 0.414 -10.069 4.863 59 HA PRO 12 HA PRO 12 -6.893 -7.437 -1.735 60 HB2 PRO 12 1HB PRO 12 -8.145 -5.231 -0.766 61 HB3 PRO 12 2HB PRO 12 -8.509 -6.867 -0.205 62 HG2 PRO 12 1HG PRO 12 -6.771 -4.778 1.050 63 HG3 PRO 12 2HG PRO 12 -7.948 -5.861 1.815 64 HD2 PRO 12 1HD PRO 12 -5.282 -6.334 1.869 65 HD3 PRO 12 2HD PRO 12 -6.483 -7.641 1.837 66 H PHE 13 H PHE 13 -4.360 -5.457 -0.666 67 HA PHE 13 HA PHE 13 -4.448 -3.950 -3.180 68 HB2 PHE 13 1HB PHE 13 -3.593 -2.595 -0.636 69 HB3 PHE 13 2HB PHE 13 -4.065 -1.867 -2.169 70 HD1 PHE 13 HD1 PHE 13 -6.564 -2.488 -2.893 71 HD2 PHE 13 HD2 PHE 13 -5.079 -2.446 1.096 72 HE1 PHE 13 HE1 PHE 13 -8.855 -2.190 -2.047 73 HE2 PHE 13 HE2 PHE 13 -7.368 -2.150 1.948 74 HZ PHE 13 HZ PHE 13 -9.260 -2.022 0.376 75 H LYS 14 H LYS 14 -2.415 -3.291 -3.975 76 HA LYS 14 HA LYS 14 -0.013 -4.034 -2.545 77 HB2 LYS 14 1HB LYS 14 -0.747 -6.152 -3.625 78 HB3 LYS 14 2HB LYS 14 -0.659 -5.352 -5.189 79 HG2 LYS 14 1HG LYS 14 1.810 -4.850 -4.393 80 HG3 LYS 14 2HG LYS 14 1.520 -6.284 -3.405 81 HD2 LYS 14 1HD LYS 14 1.248 -7.658 -5.255 82 HD3 LYS 14 2HD LYS 14 0.867 -6.308 -6.326 83 HE2 LYS 14 1HE LYS 14 3.028 -6.937 -6.949 84 HE3 LYS 14 2HE LYS 14 3.273 -5.540 -5.902 85 HZ1 LYS 14 3HZ LYS 14 3.943 -6.917 -4.134 86 HZ2 LYS 14 1HZ LYS 14 4.761 -7.506 -5.492 87 HZ3 LYS 14 2HZ LYS 14 3.405 -8.325 -4.901 88 H CYS 15 H CYS 15 1.865 -3.097 -3.395 89 HA CYS 15 HA CYS 15 1.349 -0.844 -5.172 90 HB2 CYS 15 1HB CYS 15 2.537 -0.254 -3.192 91 HB3 CYS 15 2HB CYS 15 3.676 -1.581 -3.397 92 H GLY 16 H GLY 16 1.777 -0.935 -7.271 93 HA2 GLY 16 1HA GLY 16 3.440 -3.117 -8.288 94 HA3 GLY 16 2HA GLY 16 2.360 -2.108 -9.237 95 H GLU 17 H GLU 17 4.800 -0.973 -6.957 96 HA GLU 17 HA GLU 17 6.335 0.096 -9.232 97 HB2 GLU 17 1HB GLU 17 5.840 1.513 -6.608 98 HB3 GLU 17 2HB GLU 17 6.758 2.135 -7.972 99 HG2 GLU 17 1HG GLU 17 3.934 1.344 -8.427 100 HG3 GLU 17 2HG GLU 17 4.257 2.835 -7.544 101 H CYS 18 H CYS 18 6.414 -0.798 -5.802 102 HA CYS 18 HA CYS 18 9.272 -1.442 -6.124 103 HB2 CYS 18 1HB CYS 18 9.662 -0.840 -3.837 104 HB3 CYS 18 2HB CYS 18 8.797 0.494 -4.595 105 H GLY 19 H GLY 19 6.213 -2.340 -4.603 106 HA2 GLY 19 1HA GLY 19 5.674 -4.756 -4.763 107 HA3 GLY 19 2HA GLY 19 7.316 -5.055 -4.211 108 H LYS 20 H LYS 20 5.285 -2.518 -2.907 109 HA LYS 20 HA LYS 20 5.318 -3.919 -0.324 110 HB2 LYS 20 1HB LYS 20 5.230 -1.028 -1.107 111 HB3 LYS 20 2HB LYS 20 4.614 -1.522 0.465 112 HG2 LYS 20 1HG LYS 20 6.861 -2.651 0.820 113 HG3 LYS 20 2HG LYS 20 7.411 -1.753 -0.596 114 HD2 LYS 20 1HD LYS 20 6.339 0.273 0.738 115 HD3 LYS 20 2HD LYS 20 6.680 -0.777 2.115 116 HE2 LYS 20 1HE LYS 20 8.721 -0.025 0.029 117 HE3 LYS 20 2HE LYS 20 8.500 0.850 1.543 118 HZ1 LYS 20 3HZ LYS 20 9.143 -1.040 2.780 119 HZ2 LYS 20 1HZ LYS 20 10.291 -0.874 1.549 120 HZ3 LYS 20 2HZ LYS 20 9.085 -2.053 1.427 121 H SER 21 H SER 21 3.498 -4.762 0.434 122 HA SER 21 HA SER 21 0.954 -3.924 -0.777 123 HB2 SER 21 1HB SER 21 0.071 -6.084 -0.143 124 HB3 SER 21 2HB SER 21 1.607 -6.332 -0.974 125 HG SER 21 HG SER 21 0.896 -7.013 1.539 126 H TYR 22 H TYR 22 -0.909 -3.681 0.569 127 HA TYR 22 HA TYR 22 -0.399 -3.335 3.431 128 HB2 TYR 22 1HB TYR 22 -1.578 -1.216 1.624 129 HB3 TYR 22 2HB TYR 22 -1.605 -1.148 3.382 130 HD1 TYR 22 HD2 TYR 22 0.508 -0.907 0.394 131 HD2 TYR 22 HD1 TYR 22 0.402 -0.648 4.639 132 HE1 TYR 22 HE2 TYR 22 2.721 0.165 0.378 133 HE2 TYR 22 HE1 TYR 22 2.614 0.426 4.635 134 HH TYR 22 HH TYR 22 4.076 1.624 3.194 135 H ASN 23 H ASN 23 -2.269 -3.413 4.744 136 HA ASN 23 HA ASN 23 -4.377 -5.035 3.623 137 HB2 ASN 23 1HB ASN 23 -3.237 -5.173 5.995 138 HB3 ASN 23 2HB ASN 23 -4.461 -3.980 6.422 139 HD21 ASN 23 1HD2 ASN 23 -5.860 -5.088 7.616 140 HD22 ASN 23 2HD2 ASN 23 -6.664 -6.536 7.126 141 H GLN 24 H GLN 24 -3.832 -1.767 3.836 142 HA GLN 24 HA GLN 24 -6.708 -1.208 3.594 143 HB2 GLN 24 1HB GLN 24 -4.668 0.385 5.148 144 HB3 GLN 24 2HB GLN 24 -6.261 0.997 4.723 145 HG2 GLN 24 1HG GLN 24 -7.328 -0.699 6.036 146 HG3 GLN 24 2HG GLN 24 -5.783 -1.488 6.348 147 HE21 GLN 24 1HE2 GLN 24 -6.481 -1.245 8.593 148 HE22 GLN 24 2HE2 GLN 24 -6.138 0.237 9.412 149 H ARG 25 H ARG 25 -7.252 -0.076 1.837 150 HA ARG 25 HA ARG 25 -5.469 0.434 -0.232 151 HB2 ARG 25 1HB ARG 25 -7.288 1.784 -1.233 152 HB3 ARG 25 2HB ARG 25 -7.847 0.228 -0.635 153 HG2 ARG 25 1HG ARG 25 -8.602 1.411 1.446 154 HG3 ARG 25 2HG ARG 25 -8.243 2.929 0.621 155 HD2 ARG 25 1HD ARG 25 -10.575 2.475 0.354 156 HD3 ARG 25 2HD ARG 25 -9.787 2.220 -1.203 157 HE ARG 25 HE ARG 25 -9.868 -0.233 0.113 158 HH11 ARG 25 1HH1 ARG 25 -12.084 2.094 -1.228 159 HH12 ARG 25 2HH1 ARG 25 -13.295 0.916 -1.609 160 HH21 ARG 25 1HH2 ARG 25 -11.456 -1.794 -0.384 161 HH22 ARG 25 2HH2 ARG 25 -12.937 -1.295 -1.128 162 H VAL 26 H VAL 26 -6.705 2.607 2.272 163 HA VAL 26 HA VAL 26 -5.680 5.014 1.334 164 HB VAL 26 HB VAL 26 -7.150 5.152 3.164 165 HG11 VAL 26 1HG1 VAL 26 -5.317 3.178 4.484 166 HG12 VAL 26 2HG1 VAL 26 -6.454 4.151 5.420 167 HG13 VAL 26 3HG1 VAL 26 -7.049 3.049 4.177 168 HG21 VAL 26 3HG2 VAL 26 -5.191 6.732 3.183 169 HG22 VAL 26 1HG2 VAL 26 -5.992 6.506 4.738 170 HG23 VAL 26 2HG2 VAL 26 -4.461 5.695 4.408 171 H HIS 27 H HIS 27 -4.100 2.403 3.066 172 HA HIS 27 HA HIS 27 -1.706 3.830 3.653 173 HB2 HIS 27 1HB HIS 27 -2.468 0.922 3.651 174 HB3 HIS 27 2HB HIS 27 -0.796 1.413 3.907 175 HD1 HIS 27 HD1 HIS 27 -2.091 -0.028 6.174 176 HD2 HIS 27 HD2 HIS 27 -2.349 4.095 5.731 177 HE1 HIS 27 HE1 HIS 27 -2.594 0.864 8.470 178 H LEU 28 H LEU 28 -2.833 1.923 0.945 179 HA LEU 28 HA LEU 28 -0.293 1.652 -0.321 180 HB2 LEU 28 1HB LEU 28 -2.246 0.174 -0.733 181 HB3 LEU 28 2HB LEU 28 -3.036 1.514 -1.561 182 HG LEU 28 HG LEU 28 -1.244 1.496 -3.252 183 HD11 LEU 28 1HD1 LEU 28 -0.229 -0.772 -1.570 184 HD12 LEU 28 2HD1 LEU 28 0.635 0.656 -2.138 185 HD13 LEU 28 3HD1 LEU 28 0.188 -0.614 -3.276 186 HD21 LEU 28 3HD2 LEU 28 -2.132 -1.319 -3.227 187 HD22 LEU 28 1HD2 LEU 28 -2.283 -0.088 -4.482 188 HD23 LEU 28 2HD2 LEU 28 -3.401 -0.098 -3.117 189 H THR 29 H THR 29 -3.138 3.637 -1.159 190 HA THR 29 HA THR 29 -1.999 5.136 -3.182 191 HB THR 29 HB THR 29 -4.436 5.127 -2.396 192 HG1 THR 29 HG1 THR 29 -3.306 7.681 -2.956 193 HG21 THR 29 3HG2 THR 29 -3.868 5.825 -0.054 194 HG22 THR 29 1HG2 THR 29 -5.121 6.797 -0.824 195 HG23 THR 29 2HG2 THR 29 -3.477 7.422 -0.690 196 H GLN 30 H GLN 30 -1.961 5.743 0.309 197 HA GLN 30 HA GLN 30 -0.626 8.238 0.152 198 HB2 GLN 30 1HB GLN 30 -1.034 6.243 2.365 199 HB3 GLN 30 2HB GLN 30 -0.067 7.692 2.605 200 HG2 GLN 30 1HG GLN 30 -2.847 7.891 1.530 201 HG3 GLN 30 2HG GLN 30 -2.564 7.702 3.260 202 HE21 GLN 30 1HE2 GLN 30 -3.581 9.786 3.449 203 HE22 GLN 30 2HE2 GLN 30 -2.654 11.219 3.184 204 H HIS 31 H HIS 31 0.475 4.911 0.413 205 HA HIS 31 HA HIS 31 3.203 5.535 0.929 206 HB2 HIS 31 1HB HIS 31 2.734 3.368 1.549 207 HB3 HIS 31 2HB HIS 31 1.677 3.087 0.168 208 HD1 HIS 31 HD1 HIS 31 5.370 3.363 0.976 209 HD2 HIS 31 HD2 HIS 31 2.845 1.754 -1.905 210 HE1 HIS 31 HE1 HIS 31 6.851 1.997 -0.529 211 H GLN 32 H GLN 32 1.294 5.086 -1.975 212 HA GLN 32 HA GLN 32 3.328 4.768 -3.851 213 HB2 GLN 32 1HB GLN 32 0.594 6.017 -4.042 214 HB3 GLN 32 2HB GLN 32 1.654 5.880 -5.438 215 HG2 GLN 32 1HG GLN 32 1.764 3.369 -4.759 216 HG3 GLN 32 2HG GLN 32 0.275 3.741 -3.891 217 HE21 GLN 32 1HE2 GLN 32 -1.023 2.488 -5.182 218 HE22 GLN 32 2HE2 GLN 32 -1.384 2.886 -6.824 219 H ARG 33 H ARG 33 2.614 7.442 -1.901 220 HA ARG 33 HA ARG 33 3.296 9.607 -3.525 221 HB2 ARG 33 1HB ARG 33 3.386 9.099 -0.578 222 HB3 ARG 33 2HB ARG 33 4.128 10.560 -1.217 223 HG2 ARG 33 1HG ARG 33 1.930 11.061 -2.331 224 HG3 ARG 33 2HG ARG 33 1.247 9.728 -1.398 225 HD2 ARG 33 1HD ARG 33 0.832 11.812 -0.252 226 HD3 ARG 33 2HD ARG 33 1.979 10.846 0.676 227 HE ARG 33 HE ARG 33 3.455 12.533 -0.968 228 HH11 ARG 33 1HH1 ARG 33 1.215 12.787 1.685 229 HH12 ARG 33 2HH1 ARG 33 1.894 14.263 2.288 230 HH21 ARG 33 1HH2 ARG 33 4.358 14.475 -0.184 231 HH22 ARG 33 2HH2 ARG 33 3.682 15.222 1.223 232 H VAL 34 H VAL 34 5.264 7.149 -2.099 233 HA VAL 34 HA VAL 34 7.743 8.578 -2.255 234 HB VAL 34 HB VAL 34 8.795 6.372 -1.860 235 HG11 VAL 34 1HG1 VAL 34 8.394 7.357 0.157 236 HG12 VAL 34 2HG1 VAL 34 6.656 7.476 -0.121 237 HG13 VAL 34 3HG1 VAL 34 7.374 5.929 0.331 238 HG21 VAL 34 3HG2 VAL 34 7.743 4.495 -2.410 239 HG22 VAL 34 1HG2 VAL 34 6.502 4.836 -1.204 240 HG23 VAL 34 2HG2 VAL 34 6.310 5.420 -2.857 241 H HIS 35 H HIS 35 5.753 7.078 -4.535 242 HA HIS 35 HA HIS 35 7.995 6.733 -6.412 243 HB2 HIS 35 1HB HIS 35 5.201 5.621 -6.705 244 HB3 HIS 35 2HB HIS 35 6.624 5.204 -7.656 245 HD1 HIS 35 HD1 HIS 35 8.658 4.574 -5.514 246 HD2 HIS 35 HD2 HIS 35 4.687 3.372 -5.290 247 HE1 HIS 35 HE1 HIS 35 8.640 2.600 -3.956 248 H THR 36 H THR 36 5.158 8.538 -5.719 249 HA THR 36 HA THR 36 5.448 9.953 -8.287 250 HB THR 36 HB THR 36 3.385 8.658 -8.375 251 HG1 THR 36 HG1 THR 36 2.916 10.460 -9.425 252 HG21 THR 36 3HG2 THR 36 1.898 8.470 -6.693 253 HG22 THR 36 1HG2 THR 36 2.010 10.177 -6.271 254 HG23 THR 36 2HG2 THR 36 3.224 9.042 -5.682 255 H GLY 37 H GLY 37 6.580 11.701 -7.570 256 HA2 GLY 37 1HA GLY 37 5.206 13.802 -6.312 257 HA3 GLY 37 2HA GLY 37 6.208 13.005 -5.108 258 H GLU 38 H GLU 38 8.215 13.734 -4.882 259 HA GLU 38 HA GLU 38 9.965 15.201 -5.191 260 HB2 GLU 38 1HB GLU 38 10.415 12.973 -6.467 261 HB3 GLU 38 2HB GLU 38 10.209 13.957 -7.909 262 HG2 GLU 38 1HG GLU 38 11.983 15.482 -6.997 263 HG3 GLU 38 2HG GLU 38 12.275 14.270 -5.751 264 H LYS 39 H LYS 39 7.680 16.585 -5.718 265 HA LYS 39 HA LYS 39 8.616 18.491 -7.695 266 HB2 LYS 39 1HB LYS 39 6.365 18.599 -8.790 267 HB3 LYS 39 2HB LYS 39 7.258 17.118 -9.111 268 HG2 LYS 39 1HG LYS 39 5.896 16.206 -7.076 269 HG3 LYS 39 2HG LYS 39 4.808 17.539 -7.472 270 HD2 LYS 39 1HD LYS 39 5.746 15.520 -9.500 271 HD3 LYS 39 2HD LYS 39 4.271 15.320 -8.552 272 HE2 LYS 39 1HE LYS 39 3.443 16.311 -10.453 273 HE3 LYS 39 2HE LYS 39 3.733 17.722 -9.437 274 HZ1 LYS 39 3HZ LYS 39 4.894 18.480 -11.165 275 HZ2 LYS 39 1HZ LYS 39 4.977 16.964 -11.912 276 HZ3 LYS 39 2HZ LYS 39 6.097 17.380 -10.714 277 HA PRO 40 HA PRO 40 7.070 21.302 -4.681 278 HB2 PRO 40 1HB PRO 40 6.892 23.531 -6.220 279 HB3 PRO 40 2HB PRO 40 8.433 22.870 -5.662 280 HG2 PRO 40 1HG PRO 40 7.092 22.563 -8.321 281 HG3 PRO 40 2HG PRO 40 8.800 22.871 -7.958 282 HD2 PRO 40 1HD PRO 40 7.868 20.412 -8.601 283 HD3 PRO 40 2HD PRO 40 9.231 20.656 -7.489 284 H SER 41 H SER 41 5.143 22.085 -3.948 285 HA SER 41 HA SER 41 2.842 21.832 -5.771 286 HB2 SER 41 1HB SER 41 2.725 20.211 -3.968 287 HB3 SER 41 2HB SER 41 2.979 21.478 -2.767 288 HG SER 41 HG SER 41 0.727 21.051 -4.424 289 H GLY 42 H GLY 42 0.888 23.140 -4.593 290 HA2 GLY 42 1HA GLY 42 1.921 25.837 -3.990 291 HA3 GLY 42 2HA GLY 42 0.662 25.605 -5.194 292 HA PRO 43 HA PRO 43 -2.304 26.223 -2.013 293 HB2 PRO 43 1HB PRO 43 -4.446 25.024 -3.172 294 HB3 PRO 43 2HB PRO 43 -3.819 26.590 -3.700 295 HG2 PRO 43 1HG PRO 43 -3.367 23.874 -4.876 296 HG3 PRO 43 2HG PRO 43 -3.698 25.409 -5.700 297 HD2 PRO 43 1HD PRO 43 -1.205 24.370 -5.500 298 HD3 PRO 43 2HD PRO 43 -1.512 26.119 -5.525 299 H SER 44 H SER 44 -1.081 24.713 -0.596 300 HA SER 44 HA SER 44 -2.794 22.556 0.240 301 HB2 SER 44 1HB SER 44 -0.114 22.020 -1.010 302 HB3 SER 44 2HB SER 44 -0.759 20.938 0.225 303 HG SER 44 HG SER 44 -2.642 20.735 -1.122 304 H SER 45 H SER 45 -2.140 21.640 2.300 305 HA SER 45 HA SER 45 -0.524 23.549 3.847 306 HB2 SER 45 1HB SER 45 -1.749 22.626 5.828 307 HB3 SER 45 2HB SER 45 -2.800 23.407 4.646 308 HG SER 45 HG SER 45 -2.958 20.940 5.572 309 H GLY 46 H GLY 46 0.529 22.516 5.838 310 HA2 GLY 46 1HA GLY 46 1.574 20.572 6.797 311 HA3 GLY 46 2HA GLY 46 1.575 19.837 5.201 Start of MODEL 8 1 H1 GLY 1 H GLY 1 24.680 -12.839 -7.107 2 HA2 GLY 1 1HA GLY 1 21.768 -12.640 -7.063 3 HA3 GLY 1 2HA GLY 1 22.729 -13.980 -6.456 4 H SER 2 H SER 2 21.039 -11.146 -5.661 5 HA SER 2 HA SER 2 22.283 -10.920 -3.028 6 HB2 SER 2 1HB SER 2 21.693 -8.892 -4.452 7 HB3 SER 2 2HB SER 2 20.003 -9.255 -4.102 8 HG SER 2 HG SER 2 21.808 -7.993 -2.570 9 H SER 3 H SER 3 20.519 -10.372 -1.252 10 HA SER 3 HA SER 3 19.113 -12.794 -0.795 11 HB2 SER 3 1HB SER 3 20.071 -11.335 1.002 12 HB3 SER 3 2HB SER 3 18.787 -10.169 0.678 13 HG SER 3 HG SER 3 17.350 -11.471 1.576 14 H GLY 4 H GLY 4 17.580 -13.148 -2.372 15 HA2 GLY 4 1HA GLY 4 15.252 -11.340 -2.262 16 HA3 GLY 4 2HA GLY 4 15.871 -11.908 -3.806 17 H SER 5 H SER 5 13.231 -12.281 -2.552 18 HA SER 5 HA SER 5 12.874 -15.024 -3.211 19 HB2 SER 5 1HB SER 5 13.835 -15.079 -0.830 20 HB3 SER 5 2HB SER 5 12.293 -14.391 -0.320 21 HG SER 5 HG SER 5 11.490 -16.307 -1.718 22 H SER 6 H SER 6 10.826 -15.365 -3.853 23 HA SER 6 HA SER 6 9.044 -13.298 -4.260 24 HB2 SER 6 1HB SER 6 8.815 -16.271 -4.276 25 HB3 SER 6 2HB SER 6 7.322 -15.332 -4.308 26 HG SER 6 HG SER 6 7.757 -14.692 -6.277 27 H GLY 7 H GLY 7 6.779 -13.139 -3.390 28 HA2 GLY 7 1HA GLY 7 6.383 -13.994 -0.653 29 HA3 GLY 7 2HA GLY 7 6.646 -12.267 -0.842 30 H THR 8 H THR 8 4.598 -14.939 -1.951 31 HA THR 8 HA THR 8 2.624 -13.473 -3.236 32 HB THR 8 HB THR 8 2.174 -15.973 -1.596 33 HG1 THR 8 HG1 THR 8 3.851 -15.816 -3.464 34 HG21 THR 8 3HG2 THR 8 0.614 -15.934 -3.939 35 HG22 THR 8 1HG2 THR 8 0.441 -14.342 -3.201 36 HG23 THR 8 2HG2 THR 8 0.058 -15.790 -2.271 37 H GLY 9 H GLY 9 1.715 -11.700 -2.375 38 HA2 GLY 9 1HA GLY 9 1.043 -11.605 0.452 39 HA3 GLY 9 2HA GLY 9 0.887 -10.290 -0.703 40 H GLU 10 H GLU 10 -0.967 -11.592 1.333 41 HA GLU 10 HA GLU 10 -3.166 -12.330 -0.468 42 HB2 GLU 10 1HB GLU 10 -2.563 -12.905 2.405 43 HB3 GLU 10 2HB GLU 10 -4.235 -12.921 1.861 44 HG2 GLU 10 1HG GLU 10 -2.027 -14.568 0.652 45 HG3 GLU 10 2HG GLU 10 -3.171 -15.147 1.860 46 H LYS 11 H LYS 11 -2.089 -9.574 0.297 47 HA LYS 11 HA LYS 11 -4.277 -8.364 1.740 48 HB2 LYS 11 1HB LYS 11 -1.704 -7.424 0.566 49 HB3 LYS 11 2HB LYS 11 -2.970 -6.233 0.832 50 HG2 LYS 11 1HG LYS 11 -1.832 -6.096 2.806 51 HG3 LYS 11 2HG LYS 11 -3.053 -7.301 3.220 52 HD2 LYS 11 1HD LYS 11 -0.478 -8.253 2.078 53 HD3 LYS 11 2HD LYS 11 -0.482 -7.674 3.746 54 HE2 LYS 11 1HE LYS 11 -2.574 -9.232 3.960 55 HE3 LYS 11 2HE LYS 11 -1.885 -10.018 2.541 56 HZ1 LYS 11 3HZ LYS 11 0.188 -9.647 4.350 57 HZ2 LYS 11 1HZ LYS 11 -0.533 -11.107 3.891 58 HZ3 LYS 11 2HZ LYS 11 -1.112 -10.265 5.238 59 HA PRO 12 HA PRO 12 -6.878 -7.466 -1.691 60 HB2 PRO 12 1HB PRO 12 -8.158 -5.273 -0.731 61 HB3 PRO 12 2HB PRO 12 -8.484 -6.908 -0.145 62 HG2 PRO 12 1HG PRO 12 -6.768 -4.770 1.059 63 HG3 PRO 12 2HG PRO 12 -7.913 -5.866 1.854 64 HD2 PRO 12 1HD PRO 12 -5.238 -6.288 1.875 65 HD3 PRO 12 2HD PRO 12 -6.414 -7.617 1.877 66 H PHE 13 H PHE 13 -4.332 -5.480 -0.728 67 HA PHE 13 HA PHE 13 -4.456 -4.027 -3.260 68 HB2 PHE 13 1HB PHE 13 -3.753 -2.548 -0.735 69 HB3 PHE 13 2HB PHE 13 -4.156 -1.888 -2.316 70 HD1 PHE 13 HD1 PHE 13 -6.576 -2.445 -3.165 71 HD2 PHE 13 HD2 PHE 13 -5.356 -2.542 0.912 72 HE1 PHE 13 HE1 PHE 13 -8.920 -2.185 -2.461 73 HE2 PHE 13 HE2 PHE 13 -7.697 -2.283 1.622 74 HZ PHE 13 HZ PHE 13 -9.482 -2.105 -0.064 75 H LYS 14 H LYS 14 -2.457 -3.449 -4.102 76 HA LYS 14 HA LYS 14 -0.050 -3.959 -2.563 77 HB2 LYS 14 1HB LYS 14 -0.702 -6.169 -3.530 78 HB3 LYS 14 2HB LYS 14 -0.563 -5.462 -5.135 79 HG2 LYS 14 1HG LYS 14 1.807 -5.014 -4.729 80 HG3 LYS 14 2HG LYS 14 1.664 -5.739 -3.126 81 HD2 LYS 14 1HD LYS 14 0.772 -7.806 -4.405 82 HD3 LYS 14 2HD LYS 14 1.516 -7.050 -5.817 83 HE2 LYS 14 1HE LYS 14 3.201 -8.432 -5.026 84 HE3 LYS 14 2HE LYS 14 3.615 -6.871 -4.319 85 HZ1 LYS 14 3HZ LYS 14 1.872 -8.537 -2.712 86 HZ2 LYS 14 1HZ LYS 14 3.206 -7.604 -2.253 87 HZ3 LYS 14 2HZ LYS 14 3.439 -9.138 -2.925 88 H CYS 15 H CYS 15 1.757 -2.910 -3.359 89 HA CYS 15 HA CYS 15 1.205 -0.828 -5.306 90 HB2 CYS 15 1HB CYS 15 2.354 0.046 -3.478 91 HB3 CYS 15 2HB CYS 15 3.404 -1.360 -3.338 92 H GLY 16 H GLY 16 1.760 -0.922 -7.380 93 HA2 GLY 16 1HA GLY 16 3.471 -3.133 -8.265 94 HA3 GLY 16 2HA GLY 16 2.388 -2.195 -9.282 95 H GLU 17 H GLU 17 4.891 -1.097 -7.017 96 HA GLU 17 HA GLU 17 6.373 0.011 -9.303 97 HB2 GLU 17 1HB GLU 17 6.045 1.481 -6.692 98 HB3 GLU 17 2HB GLU 17 6.702 2.093 -8.203 99 HG2 GLU 17 1HG GLU 17 3.891 1.138 -8.174 100 HG3 GLU 17 2HG GLU 17 4.265 2.684 -7.415 101 H CYS 18 H CYS 18 6.500 -0.738 -5.830 102 HA CYS 18 HA CYS 18 9.349 -1.414 -6.173 103 HB2 CYS 18 1HB CYS 18 9.743 -0.775 -3.889 104 HB3 CYS 18 2HB CYS 18 8.894 0.547 -4.683 105 H GLY 19 H GLY 19 6.345 -2.262 -4.490 106 HA2 GLY 19 1HA GLY 19 5.796 -4.694 -4.629 107 HA3 GLY 19 2HA GLY 19 7.448 -4.977 -4.103 108 H LYS 20 H LYS 20 4.937 -2.728 -2.962 109 HA LYS 20 HA LYS 20 5.207 -3.950 -0.293 110 HB2 LYS 20 1HB LYS 20 4.987 -1.078 -1.128 111 HB3 LYS 20 2HB LYS 20 4.426 -1.578 0.462 112 HG2 LYS 20 1HG LYS 20 6.791 -2.665 0.639 113 HG3 LYS 20 2HG LYS 20 7.194 -1.518 -0.640 114 HD2 LYS 20 1HD LYS 20 7.711 -0.371 1.328 115 HD3 LYS 20 2HD LYS 20 6.120 0.250 0.882 116 HE2 LYS 20 1HE LYS 20 5.058 -0.867 2.593 117 HE3 LYS 20 2HE LYS 20 6.304 -2.110 2.697 118 HZ1 LYS 20 3HZ LYS 20 7.438 0.386 3.319 119 HZ2 LYS 20 1HZ LYS 20 7.275 -0.974 4.311 120 HZ3 LYS 20 2HZ LYS 20 6.043 0.183 4.254 121 H SER 21 H SER 21 3.404 -4.703 0.623 122 HA SER 21 HA SER 21 0.844 -4.094 -0.692 123 HB2 SER 21 1HB SER 21 0.051 -6.219 0.372 124 HB3 SER 21 2HB SER 21 1.373 -6.451 -0.772 125 HG SER 21 HG SER 21 2.635 -7.074 0.805 126 H TYR 22 H TYR 22 -0.970 -3.564 0.528 127 HA TYR 22 HA TYR 22 -0.555 -3.067 3.390 128 HB2 TYR 22 1HB TYR 22 -1.735 -1.065 1.452 129 HB3 TYR 22 2HB TYR 22 -1.620 -0.861 3.196 130 HD1 TYR 22 HD2 TYR 22 0.409 -1.238 0.113 131 HD2 TYR 22 HD1 TYR 22 0.336 -0.001 4.183 132 HE1 TYR 22 HE2 TYR 22 2.639 -0.237 -0.157 133 HE2 TYR 22 HE1 TYR 22 2.565 1.004 3.924 134 HH TYR 22 HH TYR 22 4.286 1.343 2.566 135 H ASN 23 H ASN 23 -2.246 -3.604 4.640 136 HA ASN 23 HA ASN 23 -4.377 -5.108 3.617 137 HB2 ASN 23 1HB ASN 23 -5.320 -4.968 5.900 138 HB3 ASN 23 2HB ASN 23 -3.605 -5.371 5.914 139 HD21 ASN 23 1HD2 ASN 23 -4.929 -4.364 8.126 140 HD22 ASN 23 2HD2 ASN 23 -4.316 -2.787 8.477 141 H GLN 24 H GLN 24 -4.095 -1.699 4.397 142 HA GLN 24 HA GLN 24 -6.892 -1.296 3.581 143 HB2 GLN 24 1HB GLN 24 -5.045 0.223 5.381 144 HB3 GLN 24 2HB GLN 24 -6.361 1.072 4.581 145 HG2 GLN 24 1HG GLN 24 -6.758 -1.383 6.268 146 HG3 GLN 24 2HG GLN 24 -6.847 0.262 6.897 147 HE21 GLN 24 1HE2 GLN 24 -8.975 -1.465 7.086 148 HE22 GLN 24 2HE2 GLN 24 -10.255 -0.916 6.065 149 H ARG 25 H ARG 25 -7.384 -0.108 1.822 150 HA ARG 25 HA ARG 25 -5.508 0.313 -0.193 151 HB2 ARG 25 1HB ARG 25 -7.272 1.679 -1.288 152 HB3 ARG 25 2HB ARG 25 -7.856 0.125 -0.710 153 HG2 ARG 25 1HG ARG 25 -8.813 1.223 1.259 154 HG3 ARG 25 2HG ARG 25 -8.242 2.781 0.656 155 HD2 ARG 25 1HD ARG 25 -10.123 0.968 -0.848 156 HD3 ARG 25 2HD ARG 25 -10.648 2.299 0.182 157 HE ARG 25 HE ARG 25 -9.957 3.798 -1.431 158 HH11 ARG 25 1HH1 ARG 25 -8.888 0.585 -2.238 159 HH12 ARG 25 2HH1 ARG 25 -8.412 1.007 -3.850 160 HH21 ARG 25 1HH2 ARG 25 -9.335 4.366 -3.550 161 HH22 ARG 25 2HH2 ARG 25 -8.666 3.159 -4.595 162 H VAL 26 H VAL 26 -6.865 2.591 2.159 163 HA VAL 26 HA VAL 26 -5.654 4.920 1.182 164 HB VAL 26 HB VAL 26 -7.453 4.930 2.868 165 HG11 VAL 26 1HG1 VAL 26 -7.236 3.473 4.551 166 HG12 VAL 26 2HG1 VAL 26 -5.484 3.382 4.364 167 HG13 VAL 26 3HG1 VAL 26 -6.206 4.692 5.299 168 HG21 VAL 26 3HG2 VAL 26 -4.936 6.314 3.793 169 HG22 VAL 26 1HG2 VAL 26 -6.039 6.907 2.550 170 HG23 VAL 26 2HG2 VAL 26 -6.588 6.763 4.220 171 H HIS 27 H HIS 27 -4.342 2.242 2.898 172 HA HIS 27 HA HIS 27 -2.018 3.664 3.865 173 HB2 HIS 27 1HB HIS 27 -2.906 0.793 3.923 174 HB3 HIS 27 2HB HIS 27 -1.259 1.235 4.363 175 HD1 HIS 27 HD1 HIS 27 -2.062 0.213 6.741 176 HD2 HIS 27 HD2 HIS 27 -3.738 3.841 5.607 177 HE1 HIS 27 HE1 HIS 27 -3.019 1.199 8.847 178 H LEU 28 H LEU 28 -2.982 2.219 0.957 179 HA LEU 28 HA LEU 28 -0.258 1.645 0.084 180 HB2 LEU 28 1HB LEU 28 -1.796 -0.006 -0.580 181 HB3 LEU 28 2HB LEU 28 -2.970 1.193 -1.119 182 HG LEU 28 HG LEU 28 -1.351 1.784 -2.960 183 HD11 LEU 28 1HD1 LEU 28 0.020 -0.658 -1.869 184 HD12 LEU 28 2HD1 LEU 28 0.701 0.943 -2.154 185 HD13 LEU 28 3HD1 LEU 28 0.257 -0.081 -3.519 186 HD21 LEU 28 3HD2 LEU 28 -3.326 0.420 -3.361 187 HD22 LEU 28 1HD2 LEU 28 -2.441 -1.028 -2.881 188 HD23 LEU 28 2HD2 LEU 28 -1.969 -0.147 -4.335 189 H THR 29 H THR 29 -3.012 3.665 -0.916 190 HA THR 29 HA THR 29 -1.766 5.014 -3.009 191 HB THR 29 HB THR 29 -4.242 5.077 -2.273 192 HG1 THR 29 HG1 THR 29 -4.244 7.425 -3.096 193 HG21 THR 29 3HG2 THR 29 -3.200 7.453 -0.726 194 HG22 THR 29 1HG2 THR 29 -3.799 5.959 -0.007 195 HG23 THR 29 2HG2 THR 29 -4.890 6.993 -0.929 196 H GLN 30 H GLN 30 -1.670 5.598 0.454 197 HA GLN 30 HA GLN 30 -0.400 8.140 0.295 198 HB2 GLN 30 1HB GLN 30 -0.810 6.134 2.491 199 HB3 GLN 30 2HB GLN 30 0.213 7.542 2.744 200 HG2 GLN 30 1HG GLN 30 -1.651 9.012 2.225 201 HG3 GLN 30 2HG GLN 30 -2.681 7.614 1.922 202 HE21 GLN 30 1HE2 GLN 30 -3.722 9.202 3.655 203 HE22 GLN 30 2HE2 GLN 30 -3.517 8.667 5.285 204 H HIS 31 H HIS 31 0.717 4.846 0.277 205 HA HIS 31 HA HIS 31 3.455 5.471 0.859 206 HB2 HIS 31 1HB HIS 31 3.017 3.282 1.420 207 HB3 HIS 31 2HB HIS 31 1.939 3.033 0.049 208 HD1 HIS 31 HD1 HIS 31 5.655 3.401 0.743 209 HD2 HIS 31 HD2 HIS 31 3.070 1.689 -2.023 210 HE1 HIS 31 HE1 HIS 31 7.118 2.073 -0.812 211 H GLN 32 H GLN 32 1.562 4.868 -2.061 212 HA GLN 32 HA GLN 32 3.593 4.729 -3.937 213 HB2 GLN 32 1HB GLN 32 0.871 6.006 -4.251 214 HB3 GLN 32 2HB GLN 32 1.926 5.522 -5.573 215 HG2 GLN 32 1HG GLN 32 1.812 3.179 -4.487 216 HG3 GLN 32 2HG GLN 32 0.389 3.817 -3.664 217 HE21 GLN 32 1HE2 GLN 32 -0.902 2.295 -4.753 218 HE22 GLN 32 2HE2 GLN 32 -1.344 2.513 -6.409 219 H ARG 33 H ARG 33 2.596 7.395 -2.043 220 HA ARG 33 HA ARG 33 3.076 9.624 -3.531 221 HB2 ARG 33 1HB ARG 33 3.783 9.016 -0.668 222 HB3 ARG 33 2HB ARG 33 4.063 10.603 -1.373 223 HG2 ARG 33 1HG ARG 33 1.682 10.807 -1.871 224 HG3 ARG 33 2HG ARG 33 1.400 9.211 -1.173 225 HD2 ARG 33 1HD ARG 33 2.214 10.015 0.989 226 HD3 ARG 33 2HD ARG 33 2.504 11.607 0.290 227 HE ARG 33 HE ARG 33 -0.186 10.859 -0.108 228 HH11 ARG 33 1HH1 ARG 33 2.011 11.879 2.393 229 HH12 ARG 33 2HH1 ARG 33 0.774 12.607 3.364 230 HH21 ARG 33 1HH2 ARG 33 -1.824 11.813 1.162 231 HH22 ARG 33 2HH2 ARG 33 -1.407 12.568 2.664 232 H VAL 34 H VAL 34 5.533 7.627 -1.918 233 HA VAL 34 HA VAL 34 7.781 9.130 -2.599 234 HB VAL 34 HB VAL 34 9.104 7.222 -2.102 235 HG11 VAL 34 1HG1 VAL 34 7.653 8.231 -0.268 236 HG12 VAL 34 2HG1 VAL 34 6.643 6.792 -0.432 237 HG13 VAL 34 3HG1 VAL 34 8.336 6.635 0.039 238 HG21 VAL 34 3HG2 VAL 34 8.019 4.947 -1.879 239 HG22 VAL 34 1HG2 VAL 34 6.631 5.627 -2.728 240 HG23 VAL 34 2HG2 VAL 34 8.203 5.557 -3.523 241 H HIS 35 H HIS 35 6.043 6.657 -4.415 242 HA HIS 35 HA HIS 35 7.948 6.585 -6.561 243 HB2 HIS 35 1HB HIS 35 5.090 5.600 -6.573 244 HB3 HIS 35 2HB HIS 35 6.382 5.116 -7.667 245 HD1 HIS 35 HD1 HIS 35 8.610 4.449 -5.717 246 HD2 HIS 35 HD2 HIS 35 4.646 3.360 -5.114 247 HE1 HIS 35 HE1 HIS 35 8.684 2.485 -4.149 248 H THR 36 H THR 36 5.580 8.767 -5.638 249 HA THR 36 HA THR 36 5.452 9.872 -8.368 250 HB THR 36 HB THR 36 3.227 10.583 -8.080 251 HG1 THR 36 HG1 THR 36 2.239 10.750 -6.126 252 HG21 THR 36 3HG2 THR 36 3.526 8.117 -8.425 253 HG22 THR 36 1HG2 THR 36 1.994 8.570 -7.679 254 HG23 THR 36 2HG2 THR 36 3.295 7.906 -6.690 255 H GLY 37 H GLY 37 7.522 10.602 -6.770 256 HA2 GLY 37 1HA GLY 37 7.083 13.430 -6.513 257 HA3 GLY 37 2HA GLY 37 7.296 12.636 -4.960 258 H GLU 38 H GLU 38 9.079 14.515 -5.515 259 HA GLU 38 HA GLU 38 11.338 14.848 -5.448 260 HB2 GLU 38 1HB GLU 38 11.314 12.487 -4.445 261 HB3 GLU 38 2HB GLU 38 11.751 11.928 -6.053 262 HG2 GLU 38 1HG GLU 38 13.840 12.895 -5.972 263 HG3 GLU 38 2HG GLU 38 13.364 14.066 -4.743 264 H LYS 39 H LYS 39 9.813 15.174 -7.813 265 HA LYS 39 HA LYS 39 11.956 14.918 -9.788 266 HB2 LYS 39 1HB LYS 39 10.344 14.205 -11.521 267 HB3 LYS 39 2HB LYS 39 10.520 13.016 -10.237 268 HG2 LYS 39 1HG LYS 39 8.441 13.950 -9.205 269 HG3 LYS 39 2HG LYS 39 8.239 14.930 -10.659 270 HD2 LYS 39 1HD LYS 39 8.440 12.689 -11.924 271 HD3 LYS 39 2HD LYS 39 8.106 11.950 -10.356 272 HE2 LYS 39 1HE LYS 39 6.336 14.132 -11.366 273 HE3 LYS 39 2HE LYS 39 6.153 12.501 -12.008 274 HZ1 LYS 39 3HZ LYS 39 4.749 13.132 -10.008 275 HZ2 LYS 39 1HZ LYS 39 6.172 13.027 -9.100 276 HZ3 LYS 39 2HZ LYS 39 5.590 11.667 -9.919 277 HA PRO 40 HA PRO 40 10.897 19.106 -10.638 278 HB2 PRO 40 1HB PRO 40 11.972 19.329 -13.120 279 HB3 PRO 40 2HB PRO 40 12.953 19.263 -11.651 280 HG2 PRO 40 1HG PRO 40 12.307 17.082 -13.597 281 HG3 PRO 40 2HG PRO 40 13.854 17.467 -12.821 282 HD2 PRO 40 1HD PRO 40 12.248 15.467 -11.954 283 HD3 PRO 40 2HD PRO 40 13.276 16.410 -10.856 284 H SER 41 H SER 41 10.184 16.670 -13.112 285 HA SER 41 HA SER 41 8.501 16.469 -14.633 286 HB2 SER 41 1HB SER 41 7.262 16.586 -12.363 287 HB3 SER 41 2HB SER 41 6.813 18.219 -12.857 288 HG SER 41 HG SER 41 6.416 16.144 -14.682 289 H GLY 42 H GLY 42 10.337 18.629 -15.026 290 HA2 GLY 42 1HA GLY 42 10.461 20.167 -16.790 291 HA3 GLY 42 2HA GLY 42 8.706 20.236 -16.825 292 HA PRO 43 HA PRO 43 10.195 24.195 -14.977 293 HB2 PRO 43 1HB PRO 43 8.419 25.747 -16.320 294 HB3 PRO 43 2HB PRO 43 9.978 25.266 -16.998 295 HG2 PRO 43 1HG PRO 43 7.264 24.097 -17.475 296 HG3 PRO 43 2HG PRO 43 8.552 24.448 -18.642 297 HD2 PRO 43 1HD PRO 43 8.090 21.956 -17.689 298 HD3 PRO 43 2HD PRO 43 9.713 22.523 -18.131 299 H SER 44 H SER 44 7.422 22.305 -14.889 300 HA SER 44 HA SER 44 5.441 23.819 -13.756 301 HB2 SER 44 1HB SER 44 6.281 20.973 -13.435 302 HB3 SER 44 2HB SER 44 5.066 21.610 -12.327 303 HG SER 44 HG SER 44 4.949 21.359 -15.134 304 H SER 45 H SER 45 8.343 22.555 -12.214 305 HA SER 45 HA SER 45 7.558 23.771 -9.669 306 HB2 SER 45 1HB SER 45 9.774 21.855 -10.412 307 HB3 SER 45 2HB SER 45 9.635 22.592 -8.815 308 HG SER 45 HG SER 45 7.471 21.665 -8.767 309 H GLY 46 H GLY 46 8.101 25.831 -9.401 310 HA2 GLY 46 1HA GLY 46 10.579 26.810 -10.661 311 HA3 GLY 46 2HA GLY 46 9.211 27.815 -10.206 Start of MODEL 9 1 H1 GLY 1 H GLY 1 14.385 -29.343 6.969 2 HA2 GLY 1 1HA GLY 1 13.790 -29.614 4.175 3 HA3 GLY 1 2HA GLY 1 12.360 -29.780 5.182 4 H SER 2 H SER 2 12.043 -27.814 3.591 5 HA SER 2 HA SER 2 13.250 -25.347 4.385 6 HB2 SER 2 1HB SER 2 12.280 -25.879 2.093 7 HB3 SER 2 2HB SER 2 10.687 -25.658 2.816 8 HG SER 2 HG SER 2 11.552 -23.746 1.816 9 H SER 3 H SER 3 11.800 -23.446 4.995 10 HA SER 3 HA SER 3 9.513 -24.091 6.641 11 HB2 SER 3 1HB SER 3 10.470 -23.097 8.696 12 HB3 SER 3 2HB SER 3 11.334 -24.553 8.203 13 HG SER 3 HG SER 3 12.888 -23.139 7.210 14 H GLY 4 H GLY 4 8.083 -22.473 6.569 15 HA2 GLY 4 1HA GLY 4 9.022 -19.726 6.201 16 HA3 GLY 4 2HA GLY 4 7.966 -20.392 4.964 17 H SER 5 H SER 5 5.963 -19.681 5.183 18 HA SER 5 HA SER 5 4.125 -18.699 6.160 19 HB2 SER 5 1HB SER 5 3.035 -20.232 7.809 20 HB3 SER 5 2HB SER 5 3.572 -21.047 6.340 21 HG SER 5 HG SER 5 4.476 -22.332 7.760 22 H SER 6 H SER 6 6.177 -17.243 7.010 23 HA SER 6 HA SER 6 6.264 -17.156 9.905 24 HB2 SER 6 1HB SER 6 7.923 -15.439 9.644 25 HB3 SER 6 2HB SER 6 8.268 -16.689 8.449 26 HG SER 6 HG SER 6 8.364 -14.593 7.542 27 H GLY 7 H GLY 7 3.692 -16.826 9.233 28 HA2 GLY 7 1HA GLY 7 1.875 -15.438 9.457 29 HA3 GLY 7 2HA GLY 7 2.922 -14.479 10.493 30 H THR 8 H THR 8 2.902 -15.143 6.992 31 HA THR 8 HA THR 8 3.482 -12.369 6.435 32 HB THR 8 HB THR 8 2.893 -14.591 4.472 33 HG1 THR 8 HG1 THR 8 5.313 -14.484 4.344 34 HG21 THR 8 3HG2 THR 8 4.612 -12.222 3.897 35 HG22 THR 8 1HG2 THR 8 2.860 -12.034 3.851 36 HG23 THR 8 2HG2 THR 8 3.649 -13.207 2.796 37 H GLY 9 H GLY 9 0.896 -14.615 5.411 38 HA2 GLY 9 1HA GLY 9 -1.375 -14.218 5.189 39 HA3 GLY 9 2HA GLY 9 -1.117 -12.596 5.812 40 H GLU 10 H GLU 10 -2.725 -12.082 4.114 41 HA GLU 10 HA GLU 10 -1.326 -11.354 1.656 42 HB2 GLU 10 1HB GLU 10 -3.944 -12.861 1.725 43 HB3 GLU 10 2HB GLU 10 -3.292 -12.077 0.292 44 HG2 GLU 10 1HG GLU 10 -1.311 -13.528 0.428 45 HG3 GLU 10 2HG GLU 10 -2.027 -14.342 1.818 46 H LYS 11 H LYS 11 -2.314 -9.617 0.499 47 HA LYS 11 HA LYS 11 -4.368 -8.147 2.008 48 HB2 LYS 11 1HB LYS 11 -1.735 -7.145 0.959 49 HB3 LYS 11 2HB LYS 11 -3.090 -6.048 1.193 50 HG2 LYS 11 1HG LYS 11 -2.066 -5.806 3.202 51 HG3 LYS 11 2HG LYS 11 -3.118 -7.170 3.587 52 HD2 LYS 11 1HD LYS 11 -1.139 -8.636 2.846 53 HD3 LYS 11 2HD LYS 11 -0.174 -7.167 2.999 54 HE2 LYS 11 1HE LYS 11 -0.383 -7.103 5.273 55 HE3 LYS 11 2HE LYS 11 -1.952 -7.906 5.261 56 HZ1 LYS 11 3HZ LYS 11 -0.597 -9.933 4.483 57 HZ2 LYS 11 1HZ LYS 11 -0.555 -9.507 6.120 58 HZ3 LYS 11 2HZ LYS 11 0.736 -9.099 5.106 59 HA PRO 12 HA PRO 12 -6.443 -7.852 -1.864 60 HB2 PRO 12 1HB PRO 12 -8.015 -5.699 -1.349 61 HB3 PRO 12 2HB PRO 12 -8.312 -7.295 -0.650 62 HG2 PRO 12 1HG PRO 12 -6.971 -4.913 0.570 63 HG3 PRO 12 2HG PRO 12 -8.147 -6.026 1.292 64 HD2 PRO 12 1HD PRO 12 -5.488 -6.208 1.768 65 HD3 PRO 12 2HD PRO 12 -6.551 -7.629 1.730 66 H PHE 13 H PHE 13 -4.440 -5.351 -0.618 67 HA PHE 13 HA PHE 13 -4.381 -4.063 -3.268 68 HB2 PHE 13 1HB PHE 13 -3.585 -2.682 -0.713 69 HB3 PHE 13 2HB PHE 13 -3.978 -1.961 -2.270 70 HD1 PHE 13 HD1 PHE 13 -6.377 -2.112 -3.083 71 HD2 PHE 13 HD2 PHE 13 -5.219 -2.955 0.925 72 HE1 PHE 13 HE1 PHE 13 -8.701 -1.785 -2.347 73 HE2 PHE 13 HE2 PHE 13 -7.542 -2.630 1.668 74 HZ PHE 13 HZ PHE 13 -9.287 -2.045 0.031 75 H LYS 14 H LYS 14 -2.350 -3.369 -4.056 76 HA LYS 14 HA LYS 14 0.055 -4.077 -2.612 77 HB2 LYS 14 1HB LYS 14 -0.715 -6.199 -3.730 78 HB3 LYS 14 2HB LYS 14 -0.490 -5.392 -5.276 79 HG2 LYS 14 1HG LYS 14 1.852 -5.208 -4.935 80 HG3 LYS 14 2HG LYS 14 1.709 -5.720 -3.252 81 HD2 LYS 14 1HD LYS 14 1.431 -7.924 -3.804 82 HD3 LYS 14 2HD LYS 14 0.702 -7.553 -5.368 83 HE2 LYS 14 1HE LYS 14 2.953 -6.779 -6.136 84 HE3 LYS 14 2HE LYS 14 3.617 -7.381 -4.618 85 HZ1 LYS 14 3HZ LYS 14 3.713 -9.401 -5.482 86 HZ2 LYS 14 1HZ LYS 14 3.142 -8.808 -6.960 87 HZ3 LYS 14 2HZ LYS 14 2.053 -9.393 -5.806 88 H CYS 15 H CYS 15 1.904 -3.080 -3.419 89 HA CYS 15 HA CYS 15 1.369 -0.938 -5.343 90 HB2 CYS 15 1HB CYS 15 2.289 -0.156 -3.270 91 HB3 CYS 15 2HB CYS 15 3.579 -1.352 -3.326 92 H GLY 16 H GLY 16 1.942 -1.232 -7.387 93 HA2 GLY 16 1HA GLY 16 3.707 -3.367 -8.160 94 HA3 GLY 16 2HA GLY 16 2.914 -2.226 -9.236 95 H GLU 17 H GLU 17 4.063 0.009 -7.526 96 HA GLU 17 HA GLU 17 6.246 0.645 -9.135 97 HB2 GLU 17 1HB GLU 17 5.759 1.650 -6.328 98 HB3 GLU 17 2HB GLU 17 6.690 2.449 -7.587 99 HG2 GLU 17 1HG GLU 17 3.805 1.824 -8.028 100 HG3 GLU 17 2HG GLU 17 4.277 3.231 -7.076 101 H CYS 18 H CYS 18 6.295 -0.421 -5.730 102 HA CYS 18 HA CYS 18 9.074 -1.305 -6.144 103 HB2 CYS 18 1HB CYS 18 9.420 -1.028 -3.763 104 HB3 CYS 18 2HB CYS 18 8.754 0.461 -4.426 105 H GLY 19 H GLY 19 6.001 -2.170 -4.593 106 HA2 GLY 19 1HA GLY 19 5.290 -4.519 -5.054 107 HA3 GLY 19 2HA GLY 19 6.919 -4.980 -4.583 108 H LYS 20 H LYS 20 5.066 -2.494 -2.951 109 HA LYS 20 HA LYS 20 5.121 -4.138 -0.524 110 HB2 LYS 20 1HB LYS 20 4.988 -1.187 -1.037 111 HB3 LYS 20 2HB LYS 20 4.436 -1.834 0.503 112 HG2 LYS 20 1HG LYS 20 6.696 -2.949 0.696 113 HG3 LYS 20 2HG LYS 20 7.194 -1.961 -0.679 114 HD2 LYS 20 1HD LYS 20 6.759 0.060 0.542 115 HD3 LYS 20 2HD LYS 20 6.043 -0.847 1.877 116 HE2 LYS 20 1HE LYS 20 8.882 -1.288 1.004 117 HE3 LYS 20 2HE LYS 20 8.452 -0.017 2.147 118 HZ1 LYS 20 3HZ LYS 20 8.812 -1.667 3.619 119 HZ2 LYS 20 1HZ LYS 20 8.491 -2.903 2.508 120 HZ3 LYS 20 2HZ LYS 20 7.214 -2.081 3.251 121 H SER 21 H SER 21 3.312 -4.819 0.473 122 HA SER 21 HA SER 21 0.741 -4.037 -0.733 123 HB2 SER 21 1HB SER 21 -0.117 -6.213 0.052 124 HB3 SER 21 2HB SER 21 1.271 -6.415 -1.017 125 HG SER 21 HG SER 21 1.132 -7.599 1.142 126 H TYR 22 H TYR 22 -0.969 -3.452 0.562 127 HA TYR 22 HA TYR 22 -0.429 -3.221 3.446 128 HB2 TYR 22 1HB TYR 22 -1.663 -1.123 1.652 129 HB3 TYR 22 2HB TYR 22 -1.616 -1.029 3.409 130 HD1 TYR 22 HD2 TYR 22 0.598 -1.304 0.427 131 HD2 TYR 22 HD1 TYR 22 0.216 -0.058 4.478 132 HE1 TYR 22 HE2 TYR 22 2.814 -0.244 0.304 133 HE2 TYR 22 HE1 TYR 22 2.431 1.006 4.366 134 HH TYR 22 HH TYR 22 4.423 0.797 1.437 135 H ASN 23 H ASN 23 -2.164 -3.516 4.814 136 HA ASN 23 HA ASN 23 -4.215 -5.218 3.980 137 HB2 ASN 23 1HB ASN 23 -5.187 -4.868 6.199 138 HB3 ASN 23 2HB ASN 23 -3.441 -5.067 6.312 139 HD21 ASN 23 1HD2 ASN 23 -2.168 -3.337 6.913 140 HD22 ASN 23 2HD2 ASN 23 -2.826 -1.890 7.590 141 H GLN 24 H GLN 24 -4.173 -1.719 4.450 142 HA GLN 24 HA GLN 24 -6.909 -1.584 3.376 143 HB2 GLN 24 1HB GLN 24 -5.347 0.222 5.193 144 HB3 GLN 24 2HB GLN 24 -6.707 0.849 4.272 145 HG2 GLN 24 1HG GLN 24 -6.998 -1.580 5.994 146 HG3 GLN 24 2HG GLN 24 -7.108 0.043 6.673 147 HE21 GLN 24 1HE2 GLN 24 -8.804 1.405 6.003 148 HE22 GLN 24 2HE2 GLN 24 -10.247 0.762 5.305 149 H ARG 25 H ARG 25 -7.374 0.293 1.962 150 HA ARG 25 HA ARG 25 -5.382 0.456 -0.112 151 HB2 ARG 25 1HB ARG 25 -7.673 0.224 -0.793 152 HB3 ARG 25 2HB ARG 25 -8.152 1.625 0.156 153 HG2 ARG 25 1HG ARG 25 -8.087 2.539 -1.932 154 HG3 ARG 25 2HG ARG 25 -6.438 2.864 -1.396 155 HD2 ARG 25 1HD ARG 25 -6.018 0.477 -2.466 156 HD3 ARG 25 2HD ARG 25 -7.441 0.922 -3.408 157 HE ARG 25 HE ARG 25 -5.532 3.021 -3.393 158 HH11 ARG 25 1HH1 ARG 25 -6.206 -0.092 -4.797 159 HH12 ARG 25 2HH1 ARG 25 -5.302 0.217 -6.242 160 HH21 ARG 25 1HH2 ARG 25 -4.338 3.441 -5.291 161 HH22 ARG 25 2HH2 ARG 25 -4.239 2.227 -6.521 162 H VAL 26 H VAL 26 -6.945 2.725 2.124 163 HA VAL 26 HA VAL 26 -5.796 5.091 1.248 164 HB VAL 26 HB VAL 26 -7.457 5.364 2.855 165 HG11 VAL 26 1HG1 VAL 26 -7.769 3.397 3.967 166 HG12 VAL 26 2HG1 VAL 26 -6.047 3.169 4.278 167 HG13 VAL 26 3HG1 VAL 26 -6.974 4.321 5.240 168 HG21 VAL 26 3HG2 VAL 26 -5.495 6.859 3.191 169 HG22 VAL 26 1HG2 VAL 26 -6.458 6.611 4.647 170 HG23 VAL 26 2HG2 VAL 26 -4.926 5.760 4.447 171 H HIS 27 H HIS 27 -4.327 2.420 2.820 172 HA HIS 27 HA HIS 27 -2.046 3.930 3.783 173 HB2 HIS 27 1HB HIS 27 -2.978 1.111 3.975 174 HB3 HIS 27 2HB HIS 27 -1.246 1.399 4.106 175 HD1 HIS 27 HD1 HIS 27 -1.448 0.583 6.606 176 HD2 HIS 27 HD2 HIS 27 -3.465 4.107 5.724 177 HE1 HIS 27 HE1 HIS 27 -1.981 1.628 8.831 178 H LEU 28 H LEU 28 -2.986 2.188 0.965 179 HA LEU 28 HA LEU 28 -0.289 1.768 0.014 180 HB2 LEU 28 1HB LEU 28 -2.037 0.170 -0.539 181 HB3 LEU 28 2HB LEU 28 -2.957 1.435 -1.350 182 HG LEU 28 HG LEU 28 -1.281 1.594 -3.086 183 HD11 LEU 28 1HD1 LEU 28 0.385 -0.579 -2.767 184 HD12 LEU 28 2HD1 LEU 28 0.319 0.131 -1.155 185 HD13 LEU 28 3HD1 LEU 28 0.821 1.114 -2.531 186 HD21 LEU 28 3HD2 LEU 28 -1.980 -1.295 -2.576 187 HD22 LEU 28 1HD2 LEU 28 -1.597 -0.556 -4.131 188 HD23 LEU 28 2HD2 LEU 28 -3.072 -0.100 -3.278 189 H THR 29 H THR 29 -3.080 3.699 -1.083 190 HA THR 29 HA THR 29 -1.876 5.085 -3.136 191 HB THR 29 HB THR 29 -4.321 5.173 -2.415 192 HG1 THR 29 HG1 THR 29 -2.757 7.263 -3.410 193 HG21 THR 29 3HG2 THR 29 -3.199 7.316 -0.610 194 HG22 THR 29 1HG2 THR 29 -4.046 5.852 -0.115 195 HG23 THR 29 2HG2 THR 29 -4.910 7.119 -0.984 196 H GLN 30 H GLN 30 -1.789 5.774 0.326 197 HA GLN 30 HA GLN 30 -0.461 8.269 0.109 198 HB2 GLN 30 1HB GLN 30 -0.938 6.315 2.326 199 HB3 GLN 30 2HB GLN 30 0.200 7.634 2.567 200 HG2 GLN 30 1HG GLN 30 -1.790 9.091 1.675 201 HG3 GLN 30 2HG GLN 30 -2.750 7.712 2.208 202 HE21 GLN 30 1HE2 GLN 30 -2.462 10.525 3.191 203 HE22 GLN 30 2HE2 GLN 30 -2.131 10.366 4.879 204 H HIS 31 H HIS 31 0.660 4.946 0.475 205 HA HIS 31 HA HIS 31 3.382 5.541 0.925 206 HB2 HIS 31 1HB HIS 31 2.905 3.358 1.475 207 HB3 HIS 31 2HB HIS 31 1.843 3.127 0.090 208 HD1 HIS 31 HD1 HIS 31 5.548 3.405 0.861 209 HD2 HIS 31 HD2 HIS 31 2.988 1.809 -1.996 210 HE1 HIS 31 HE1 HIS 31 7.014 2.069 -0.685 211 H GLN 32 H GLN 32 1.590 4.762 -2.041 212 HA GLN 32 HA GLN 32 3.593 4.644 -3.886 213 HB2 GLN 32 1HB GLN 32 0.944 6.058 -4.234 214 HB3 GLN 32 2HB GLN 32 1.984 5.502 -5.539 215 HG2 GLN 32 1HG GLN 32 1.568 3.248 -5.061 216 HG3 GLN 32 2HG GLN 32 0.901 3.621 -3.472 217 HE21 GLN 32 1HE2 GLN 32 -0.470 2.007 -5.176 218 HE22 GLN 32 2HE2 GLN 32 -1.881 2.819 -5.756 219 H ARG 33 H ARG 33 2.516 7.430 -2.130 220 HA ARG 33 HA ARG 33 3.258 9.563 -3.651 221 HB2 ARG 33 1HB ARG 33 3.581 9.074 -0.699 222 HB3 ARG 33 2HB ARG 33 4.024 10.610 -1.431 223 HG2 ARG 33 1HG ARG 33 1.763 10.963 -2.177 224 HG3 ARG 33 2HG ARG 33 1.290 9.362 -1.605 225 HD2 ARG 33 1HD ARG 33 1.718 10.007 0.681 226 HD3 ARG 33 2HD ARG 33 2.348 11.568 0.157 227 HE ARG 33 HE ARG 33 -0.410 10.821 0.447 228 HH11 ARG 33 1HH1 ARG 33 1.818 12.947 -1.178 229 HH12 ARG 33 2HH1 ARG 33 0.630 14.171 -1.483 230 HH21 ARG 33 1HH2 ARG 33 -1.982 12.425 0.052 231 HH22 ARG 33 2HH2 ARG 33 -1.531 13.874 -0.782 232 H VAL 34 H VAL 34 5.384 7.363 -1.903 233 HA VAL 34 HA VAL 34 7.788 8.750 -2.133 234 HB VAL 34 HB VAL 34 8.915 6.707 -1.719 235 HG11 VAL 34 1HG1 VAL 34 6.430 5.905 -0.368 236 HG12 VAL 34 2HG1 VAL 34 8.020 6.280 0.302 237 HG13 VAL 34 3HG1 VAL 34 6.910 7.584 -0.124 238 HG21 VAL 34 3HG2 VAL 34 8.100 5.309 -3.458 239 HG22 VAL 34 1HG2 VAL 34 7.710 4.506 -1.937 240 HG23 VAL 34 2HG2 VAL 34 6.454 5.369 -2.826 241 H HIS 35 H HIS 35 6.120 6.682 -4.443 242 HA HIS 35 HA HIS 35 8.289 6.952 -6.371 243 HB2 HIS 35 1HB HIS 35 5.668 5.585 -6.912 244 HB3 HIS 35 2HB HIS 35 7.247 5.262 -7.621 245 HD1 HIS 35 HD1 HIS 35 9.055 4.341 -5.689 246 HD2 HIS 35 HD2 HIS 35 4.992 3.766 -5.040 247 HE1 HIS 35 HE1 HIS 35 8.901 2.494 -3.989 248 H THR 36 H THR 36 5.128 8.219 -5.697 249 HA THR 36 HA THR 36 5.059 9.599 -8.286 250 HB THR 36 HB THR 36 2.733 10.191 -7.714 251 HG1 THR 36 HG1 THR 36 2.935 8.444 -5.493 252 HG21 THR 36 3HG2 THR 36 2.869 8.234 -8.988 253 HG22 THR 36 1HG2 THR 36 1.864 7.768 -7.617 254 HG23 THR 36 2HG2 THR 36 3.565 7.306 -7.660 255 H GLY 37 H GLY 37 6.159 11.463 -8.240 256 HA2 GLY 37 1HA GLY 37 5.784 13.830 -7.563 257 HA3 GLY 37 2HA GLY 37 5.746 13.234 -5.910 258 H GLU 38 H GLU 38 7.801 11.882 -5.358 259 HA GLU 38 HA GLU 38 10.054 13.634 -5.891 260 HB2 GLU 38 1HB GLU 38 9.734 13.025 -3.597 261 HB3 GLU 38 2HB GLU 38 9.662 11.315 -4.000 262 HG2 GLU 38 1HG GLU 38 11.782 11.801 -3.002 263 HG3 GLU 38 2HG GLU 38 12.023 11.415 -4.705 264 H LYS 39 H LYS 39 10.689 13.184 -7.980 265 HA LYS 39 HA LYS 39 12.166 10.698 -8.309 266 HB2 LYS 39 1HB LYS 39 11.180 10.317 -10.565 267 HB3 LYS 39 2HB LYS 39 10.037 10.085 -9.248 268 HG2 LYS 39 1HG LYS 39 9.085 12.287 -9.673 269 HG3 LYS 39 2HG LYS 39 10.243 12.541 -10.980 270 HD2 LYS 39 1HD LYS 39 9.282 10.798 -12.281 271 HD3 LYS 39 2HD LYS 39 8.302 10.238 -10.923 272 HE2 LYS 39 1HE LYS 39 7.965 13.042 -11.868 273 HE3 LYS 39 2HE LYS 39 7.278 11.739 -12.836 274 HZ1 LYS 39 3HZ LYS 39 6.748 12.075 -9.937 275 HZ2 LYS 39 1HZ LYS 39 5.960 11.033 -11.012 276 HZ3 LYS 39 2HZ LYS 39 5.749 12.706 -11.147 277 HA PRO 40 HA PRO 40 15.059 13.391 -10.238 278 HB2 PRO 40 1HB PRO 40 16.438 11.590 -11.731 279 HB3 PRO 40 2HB PRO 40 16.593 11.701 -9.973 280 HG2 PRO 40 1HG PRO 40 14.971 9.794 -11.616 281 HG3 PRO 40 2HG PRO 40 15.969 9.471 -10.186 282 HD2 PRO 40 1HD PRO 40 13.275 9.705 -10.059 283 HD3 PRO 40 2HD PRO 40 14.340 10.201 -8.728 284 H SER 41 H SER 41 12.990 11.330 -12.153 285 HA SER 41 HA SER 41 13.439 13.065 -14.492 286 HB2 SER 41 1HB SER 41 13.829 10.478 -14.579 287 HB3 SER 41 2HB SER 41 12.070 10.400 -14.676 288 HG SER 41 HG SER 41 12.956 10.495 -16.750 289 H GLY 42 H GLY 42 11.982 14.658 -13.670 290 HA2 GLY 42 1HA GLY 42 9.173 13.934 -14.162 291 HA3 GLY 42 2HA GLY 42 9.597 14.780 -12.681 292 HA PRO 43 HA PRO 43 8.723 17.739 -16.285 293 HB2 PRO 43 1HB PRO 43 6.359 18.721 -15.381 294 HB3 PRO 43 2HB PRO 43 6.471 17.316 -16.448 295 HG2 PRO 43 1HG PRO 43 6.104 17.415 -13.479 296 HG3 PRO 43 2HG PRO 43 5.294 16.385 -14.672 297 HD2 PRO 43 1HD PRO 43 7.344 15.503 -13.139 298 HD3 PRO 43 2HD PRO 43 7.064 14.913 -14.790 299 H SER 44 H SER 44 8.616 17.840 -12.809 300 HA SER 44 HA SER 44 8.367 20.388 -12.052 301 HB2 SER 44 1HB SER 44 9.191 18.398 -10.664 302 HB3 SER 44 2HB SER 44 10.814 18.856 -11.180 303 HG SER 44 HG SER 44 10.610 20.025 -9.400 304 H SER 45 H SER 45 11.434 19.108 -13.345 305 HA SER 45 HA SER 45 12.849 21.500 -13.383 306 HB2 SER 45 1HB SER 45 14.235 20.413 -15.170 307 HB3 SER 45 2HB SER 45 13.989 19.405 -13.744 308 HG SER 45 HG SER 45 12.780 19.194 -16.287 309 H GLY 46 H GLY 46 12.159 23.338 -14.272 310 HA2 GLY 46 1HA GLY 46 12.006 23.759 -17.011 311 HA3 GLY 46 2HA GLY 46 10.361 23.465 -16.467 Start of MODEL 10 1 H1 GLY 1 H GLY 1 16.063 -25.065 3.055 2 HA2 GLY 1 1HA GLY 1 17.847 -24.295 5.277 3 HA3 GLY 1 2HA GLY 1 17.580 -23.332 3.831 4 H SER 2 H SER 2 16.047 -24.523 6.781 5 HA SER 2 HA SER 2 14.156 -23.818 7.886 6 HB2 SER 2 1HB SER 2 14.337 -21.492 8.628 7 HB3 SER 2 2HB SER 2 15.922 -22.265 8.644 8 HG SER 2 HG SER 2 15.045 -20.805 6.398 9 H SER 3 H SER 3 13.528 -24.280 5.227 10 HA SER 3 HA SER 3 11.895 -21.995 4.393 11 HB2 SER 3 1HB SER 3 11.655 -23.151 2.262 12 HB3 SER 3 2HB SER 3 13.361 -23.078 2.705 13 HG SER 3 HG SER 3 13.180 -25.233 3.445 14 H GLY 4 H GLY 4 9.774 -21.939 4.742 15 HA2 GLY 4 1HA GLY 4 8.059 -24.178 4.582 16 HA3 GLY 4 2HA GLY 4 8.417 -23.844 6.269 17 H SER 5 H SER 5 6.330 -23.240 6.798 18 HA SER 5 HA SER 5 4.993 -21.154 5.310 19 HB2 SER 5 1HB SER 5 3.612 -22.902 6.235 20 HB3 SER 5 2HB SER 5 4.261 -22.624 7.851 21 HG SER 5 HG SER 5 2.943 -20.573 6.431 22 H SER 6 H SER 6 4.971 -19.040 5.760 23 HA SER 6 HA SER 6 6.454 -18.139 8.130 24 HB2 SER 6 1HB SER 6 5.779 -16.668 5.570 25 HB3 SER 6 2HB SER 6 6.686 -15.987 6.921 26 HG SER 6 HG SER 6 7.989 -18.102 6.469 27 H GLY 7 H GLY 7 3.693 -17.021 6.156 28 HA2 GLY 7 1HA GLY 7 1.993 -16.788 8.451 29 HA3 GLY 7 2HA GLY 7 2.586 -15.225 7.909 30 H THR 8 H THR 8 -0.076 -16.879 7.848 31 HA THR 8 HA THR 8 -0.677 -16.556 4.995 32 HB THR 8 HB THR 8 -2.393 -17.851 7.121 33 HG1 THR 8 HG1 THR 8 -0.179 -18.788 6.336 34 HG21 THR 8 3HG2 THR 8 -3.934 -18.187 5.532 35 HG22 THR 8 1HG2 THR 8 -2.724 -18.693 4.354 36 HG23 THR 8 2HG2 THR 8 -3.067 -16.978 4.586 37 H GLY 9 H GLY 9 -0.820 -14.268 5.003 38 HA2 GLY 9 1HA GLY 9 -3.445 -13.310 5.752 39 HA3 GLY 9 2HA GLY 9 -2.126 -12.562 6.640 40 H GLU 10 H GLU 10 -2.683 -13.482 3.238 41 HA GLU 10 HA GLU 10 -1.152 -11.533 2.050 42 HB2 GLU 10 1HB GLU 10 -3.608 -13.004 1.180 43 HB3 GLU 10 2HB GLU 10 -2.978 -11.712 0.168 44 HG2 GLU 10 1HG GLU 10 -0.790 -12.877 0.135 45 HG3 GLU 10 2HG GLU 10 -1.532 -14.209 1.020 46 H LYS 11 H LYS 11 -2.204 -9.755 0.568 47 HA LYS 11 HA LYS 11 -4.034 -8.154 2.233 48 HB2 LYS 11 1HB LYS 11 -1.489 -7.385 0.856 49 HB3 LYS 11 2HB LYS 11 -2.757 -6.182 1.057 50 HG2 LYS 11 1HG LYS 11 -1.563 -5.799 2.951 51 HG3 LYS 11 2HG LYS 11 -2.678 -7.027 3.556 52 HD2 LYS 11 1HD LYS 11 -1.057 -8.684 3.550 53 HD3 LYS 11 2HD LYS 11 -0.054 -7.839 2.370 54 HE2 LYS 11 1HE LYS 11 0.364 -6.093 4.122 55 HE3 LYS 11 2HE LYS 11 -0.455 -7.145 5.275 56 HZ1 LYS 11 3HZ LYS 11 2.072 -7.665 3.820 57 HZ2 LYS 11 1HZ LYS 11 1.216 -8.885 4.620 58 HZ3 LYS 11 2HZ LYS 11 1.833 -7.574 5.492 59 HA PRO 12 HA PRO 12 -6.620 -7.874 -1.315 60 HB2 PRO 12 1HB PRO 12 -7.938 -5.574 -0.729 61 HB3 PRO 12 2HB PRO 12 -8.246 -7.098 0.111 62 HG2 PRO 12 1HG PRO 12 -6.570 -4.769 0.965 63 HG3 PRO 12 2HG PRO 12 -7.707 -5.740 1.920 64 HD2 PRO 12 1HD PRO 12 -5.027 -6.113 2.025 65 HD3 PRO 12 2HD PRO 12 -6.185 -7.442 2.234 66 H PHE 13 H PHE 13 -4.314 -5.436 -0.516 67 HA PHE 13 HA PHE 13 -4.477 -4.393 -3.266 68 HB2 PHE 13 1HB PHE 13 -3.446 -2.772 -0.949 69 HB3 PHE 13 2HB PHE 13 -3.969 -2.210 -2.534 70 HD1 PHE 13 HD1 PHE 13 -6.499 -2.754 -3.090 71 HD2 PHE 13 HD2 PHE 13 -4.861 -2.471 0.828 72 HE1 PHE 13 HE1 PHE 13 -8.743 -2.299 -2.189 73 HE2 PHE 13 HE2 PHE 13 -7.102 -2.016 1.736 74 HZ PHE 13 HZ PHE 13 -9.047 -1.930 0.227 75 H LYS 14 H LYS 14 -2.400 -3.487 -4.065 76 HA LYS 14 HA LYS 14 0.033 -4.345 -2.793 77 HB2 LYS 14 1HB LYS 14 -0.843 -6.423 -3.912 78 HB3 LYS 14 2HB LYS 14 -0.676 -5.591 -5.452 79 HG2 LYS 14 1HG LYS 14 1.769 -5.265 -4.829 80 HG3 LYS 14 2HG LYS 14 1.481 -6.451 -3.554 81 HD2 LYS 14 1HD LYS 14 0.542 -7.939 -5.422 82 HD3 LYS 14 2HD LYS 14 1.332 -6.816 -6.531 83 HE2 LYS 14 1HE LYS 14 2.797 -8.683 -6.108 84 HE3 LYS 14 2HE LYS 14 3.472 -7.233 -5.367 85 HZ1 LYS 14 3HZ LYS 14 3.333 -8.128 -3.348 86 HZ2 LYS 14 1HZ LYS 14 3.091 -9.613 -4.123 87 HZ3 LYS 14 2HZ LYS 14 1.763 -8.707 -3.597 88 H CYS 15 H CYS 15 1.515 -2.854 -3.218 89 HA CYS 15 HA CYS 15 1.061 -0.774 -5.093 90 HB2 CYS 15 1HB CYS 15 2.309 -0.149 -3.206 91 HB3 CYS 15 2HB CYS 15 3.380 -1.540 -3.340 92 H GLY 16 H GLY 16 1.275 -0.935 -7.221 93 HA2 GLY 16 1HA GLY 16 3.002 -2.984 -8.364 94 HA3 GLY 16 2HA GLY 16 1.850 -1.985 -9.237 95 H GLU 17 H GLU 17 4.354 -0.829 -7.041 96 HA GLU 17 HA GLU 17 5.727 0.374 -9.354 97 HB2 GLU 17 1HB GLU 17 5.300 1.616 -6.631 98 HB3 GLU 17 2HB GLU 17 6.236 2.327 -7.938 99 HG2 GLU 17 1HG GLU 17 4.012 3.314 -7.761 100 HG3 GLU 17 2HG GLU 17 4.252 2.505 -9.308 101 H CYS 18 H CYS 18 6.033 -0.824 -6.044 102 HA CYS 18 HA CYS 18 8.866 -1.401 -6.601 103 HB2 CYS 18 1HB CYS 18 9.455 -0.859 -4.324 104 HB3 CYS 18 2HB CYS 18 8.610 0.516 -5.027 105 H GLY 19 H GLY 19 5.978 -2.262 -4.745 106 HA2 GLY 19 1HA GLY 19 5.418 -4.698 -4.931 107 HA3 GLY 19 2HA GLY 19 7.086 -4.987 -4.461 108 H LYS 20 H LYS 20 5.138 -2.442 -3.062 109 HA LYS 20 HA LYS 20 5.246 -3.868 -0.492 110 HB2 LYS 20 1HB LYS 20 5.249 -0.957 -1.222 111 HB3 LYS 20 2HB LYS 20 4.730 -1.467 0.380 112 HG2 LYS 20 1HG LYS 20 7.021 -2.792 0.294 113 HG3 LYS 20 2HG LYS 20 7.427 -1.510 -0.849 114 HD2 LYS 20 1HD LYS 20 8.090 -0.547 1.128 115 HD3 LYS 20 2HD LYS 20 6.428 0.039 1.021 116 HE2 LYS 20 1HE LYS 20 6.549 -0.718 3.204 117 HE3 LYS 20 2HE LYS 20 5.852 -2.102 2.363 118 HZ1 LYS 20 3HZ LYS 20 8.757 -1.828 2.883 119 HZ2 LYS 20 1HZ LYS 20 7.922 -3.208 2.373 120 HZ3 LYS 20 2HZ LYS 20 7.703 -2.619 3.943 121 H SER 21 H SER 21 3.402 -4.906 -0.096 122 HA SER 21 HA SER 21 0.870 -3.827 -1.045 123 HB2 SER 21 1HB SER 21 -0.068 -5.980 -0.203 124 HB3 SER 21 2HB SER 21 1.231 -6.203 -1.375 125 HG SER 21 HG SER 21 1.391 -6.443 1.446 126 H TYR 22 H TYR 22 -0.966 -3.589 0.367 127 HA TYR 22 HA TYR 22 -0.312 -3.191 3.200 128 HB2 TYR 22 1HB TYR 22 -1.654 -1.182 1.386 129 HB3 TYR 22 2HB TYR 22 -1.671 -1.072 3.142 130 HD1 TYR 22 HD2 TYR 22 0.683 -1.299 0.260 131 HD2 TYR 22 HD1 TYR 22 0.039 0.059 4.240 132 HE1 TYR 22 HE2 TYR 22 2.840 -0.119 0.200 133 HE2 TYR 22 HE1 TYR 22 2.194 1.244 4.191 134 HH TYR 22 HH TYR 22 4.569 0.658 2.197 135 H ASN 23 H ASN 23 -2.184 -3.132 4.604 136 HA ASN 23 HA ASN 23 -4.166 -5.048 3.799 137 HB2 ASN 23 1HB ASN 23 -3.563 -3.566 6.340 138 HB3 ASN 23 2HB ASN 23 -5.079 -4.446 6.167 139 HD21 ASN 23 1HD2 ASN 23 -4.705 -6.729 5.201 140 HD22 ASN 23 2HD2 ASN 23 -3.451 -7.642 5.962 141 H GLN 24 H GLN 24 -4.049 -1.580 4.339 142 HA GLN 24 HA GLN 24 -6.898 -1.382 3.644 143 HB2 GLN 24 1HB GLN 24 -5.023 0.518 5.044 144 HB3 GLN 24 2HB GLN 24 -6.601 1.018 4.450 145 HG2 GLN 24 1HG GLN 24 -6.235 -1.277 6.350 146 HG3 GLN 24 2HG GLN 24 -6.458 0.387 6.887 147 HE21 GLN 24 1HE2 GLN 24 -8.456 0.865 7.407 148 HE22 GLN 24 2HE2 GLN 24 -9.886 0.177 6.724 149 H ARG 25 H ARG 25 -7.542 0.383 2.205 150 HA ARG 25 HA ARG 25 -5.840 0.459 -0.118 151 HB2 ARG 25 1HB ARG 25 -8.359 0.217 -0.167 152 HB3 ARG 25 2HB ARG 25 -8.452 1.914 0.287 153 HG2 ARG 25 1HG ARG 25 -7.198 2.498 -1.755 154 HG3 ARG 25 2HG ARG 25 -7.213 0.795 -2.218 155 HD2 ARG 25 1HD ARG 25 -9.730 2.336 -1.645 156 HD3 ARG 25 2HD ARG 25 -8.997 2.288 -3.248 157 HE ARG 25 HE ARG 25 -10.457 0.182 -1.943 158 HH11 ARG 25 1HH1 ARG 25 -8.091 0.952 -4.378 159 HH12 ARG 25 2HH1 ARG 25 -8.371 -0.493 -5.292 160 HH21 ARG 25 1HH2 ARG 25 -10.835 -1.724 -3.138 161 HH22 ARG 25 2HH2 ARG 25 -9.932 -2.014 -4.587 162 H VAL 26 H VAL 26 -7.062 2.787 2.252 163 HA VAL 26 HA VAL 26 -5.892 5.072 1.040 164 HB VAL 26 HB VAL 26 -7.713 5.396 2.565 165 HG11 VAL 26 1HG1 VAL 26 -7.967 4.286 4.478 166 HG12 VAL 26 2HG1 VAL 26 -6.517 3.375 4.051 167 HG13 VAL 26 3HG1 VAL 26 -6.391 4.810 5.070 168 HG21 VAL 26 3HG2 VAL 26 -5.599 6.490 4.297 169 HG22 VAL 26 1HG2 VAL 26 -5.456 6.885 2.584 170 HG23 VAL 26 2HG2 VAL 26 -6.924 7.306 3.466 171 H HIS 27 H HIS 27 -4.576 2.496 2.809 172 HA HIS 27 HA HIS 27 -2.333 4.001 3.870 173 HB2 HIS 27 1HB HIS 27 -3.169 1.116 3.977 174 HB3 HIS 27 2HB HIS 27 -1.549 1.603 4.467 175 HD1 HIS 27 HD1 HIS 27 -2.136 0.827 6.900 176 HD2 HIS 27 HD2 HIS 27 -4.413 3.999 5.480 177 HE1 HIS 27 HE1 HIS 27 -3.266 1.803 8.924 178 H LEU 28 H LEU 28 -3.151 2.329 1.006 179 HA LEU 28 HA LEU 28 -0.412 1.769 0.242 180 HB2 LEU 28 1HB LEU 28 -1.891 0.152 -0.538 181 HB3 LEU 28 2HB LEU 28 -3.092 1.349 -1.021 182 HG LEU 28 HG LEU 28 -1.609 2.018 -2.890 183 HD11 LEU 28 1HD1 LEU 28 0.369 0.773 -1.497 184 HD12 LEU 28 2HD1 LEU 28 0.454 1.208 -3.204 185 HD13 LEU 28 3HD1 LEU 28 -0.008 -0.428 -2.733 186 HD21 LEU 28 3HD2 LEU 28 -1.759 -0.682 -3.685 187 HD22 LEU 28 1HD2 LEU 28 -2.901 0.618 -4.026 188 HD23 LEU 28 2HD2 LEU 28 -3.116 -0.392 -2.596 189 H THR 29 H THR 29 -3.047 3.623 -1.293 190 HA THR 29 HA THR 29 -1.725 4.979 -3.209 191 HB THR 29 HB THR 29 -4.165 5.240 -2.586 192 HG1 THR 29 HG1 THR 29 -4.218 7.360 -3.468 193 HG21 THR 29 3HG2 THR 29 -4.765 7.071 -1.097 194 HG22 THR 29 1HG2 THR 29 -3.063 7.377 -0.757 195 HG23 THR 29 2HG2 THR 29 -3.810 5.869 -0.230 196 H GLN 30 H GLN 30 -1.753 5.843 0.230 197 HA GLN 30 HA GLN 30 -0.281 8.220 0.024 198 HB2 GLN 30 1HB GLN 30 -0.896 6.291 2.206 199 HB3 GLN 30 2HB GLN 30 0.412 7.436 2.477 200 HG2 GLN 30 1HG GLN 30 -1.383 9.168 1.641 201 HG3 GLN 30 2HG GLN 30 -2.503 7.917 2.176 202 HE21 GLN 30 1HE2 GLN 30 -3.239 8.311 4.125 203 HE22 GLN 30 2HE2 GLN 30 -2.345 8.984 5.441 204 H HIS 31 H HIS 31 0.764 4.870 0.489 205 HA HIS 31 HA HIS 31 3.500 5.394 0.854 206 HB2 HIS 31 1HB HIS 31 2.924 3.232 1.445 207 HB3 HIS 31 2HB HIS 31 1.905 3.004 0.027 208 HD1 HIS 31 HD1 HIS 31 5.612 3.365 0.809 209 HD2 HIS 31 HD2 HIS 31 3.068 1.490 -1.888 210 HE1 HIS 31 HE1 HIS 31 7.097 1.944 -0.640 211 H GLN 32 H GLN 32 1.679 4.548 -2.082 212 HA GLN 32 HA GLN 32 3.738 4.457 -3.906 213 HB2 GLN 32 1HB GLN 32 0.996 5.636 -4.386 214 HB3 GLN 32 2HB GLN 32 2.091 5.019 -5.616 215 HG2 GLN 32 1HG GLN 32 1.862 2.787 -4.796 216 HG3 GLN 32 2HG GLN 32 0.942 3.344 -3.399 217 HE21 GLN 32 1HE2 GLN 32 0.147 1.396 -5.343 218 HE22 GLN 32 2HE2 GLN 32 -1.283 1.994 -6.106 219 H ARG 33 H ARG 33 2.625 7.150 -2.138 220 HA ARG 33 HA ARG 33 3.170 9.277 -3.855 221 HB2 ARG 33 1HB ARG 33 3.506 9.140 -0.853 222 HB3 ARG 33 2HB ARG 33 3.466 10.621 -1.800 223 HG2 ARG 33 1HG ARG 33 1.181 8.736 -2.029 224 HG3 ARG 33 2HG ARG 33 1.328 9.720 -0.572 225 HD2 ARG 33 1HD ARG 33 0.077 11.119 -1.881 226 HD3 ARG 33 2HD ARG 33 1.701 11.653 -2.315 227 HE ARG 33 HE ARG 33 1.139 9.711 -4.134 228 HH11 ARG 33 1HH1 ARG 33 -0.456 12.634 -3.120 229 HH12 ARG 33 2HH1 ARG 33 -1.182 12.929 -4.665 230 HH21 ARG 33 1HH2 ARG 33 0.189 10.088 -6.173 231 HH22 ARG 33 2HH2 ARG 33 -0.815 11.480 -6.401 232 H VAL 34 H VAL 34 5.315 7.536 -1.633 233 HA VAL 34 HA VAL 34 7.599 9.046 -1.797 234 HB VAL 34 HB VAL 34 8.868 7.099 -1.247 235 HG11 VAL 34 1HG1 VAL 34 6.443 7.769 0.062 236 HG12 VAL 34 2HG1 VAL 34 6.654 6.020 0.166 237 HG13 VAL 34 3HG1 VAL 34 7.918 7.098 0.758 238 HG21 VAL 34 3HG2 VAL 34 7.661 4.823 -1.357 239 HG22 VAL 34 1HG2 VAL 34 6.597 5.616 -2.519 240 HG23 VAL 34 2HG2 VAL 34 8.326 5.495 -2.846 241 H HIS 35 H HIS 35 6.339 6.754 -4.156 242 HA HIS 35 HA HIS 35 8.629 6.778 -5.845 243 HB2 HIS 35 1HB HIS 35 5.782 6.124 -6.621 244 HB3 HIS 35 2HB HIS 35 7.251 5.613 -7.446 245 HD1 HIS 35 HD1 HIS 35 8.874 4.532 -5.098 246 HD2 HIS 35 HD2 HIS 35 4.824 3.783 -5.638 247 HE1 HIS 35 HE1 HIS 35 8.407 2.415 -3.825 248 H THR 36 H THR 36 5.872 8.845 -5.472 249 HA THR 36 HA THR 36 6.194 10.148 -8.028 250 HB THR 36 HB THR 36 4.344 11.482 -7.471 251 HG1 THR 36 HG1 THR 36 3.669 11.804 -5.325 252 HG21 THR 36 3HG2 THR 36 3.568 9.265 -7.783 253 HG22 THR 36 1HG2 THR 36 2.718 9.880 -6.367 254 HG23 THR 36 2HG2 THR 36 4.081 8.779 -6.168 255 H GLY 37 H GLY 37 6.672 11.074 -4.617 256 HA2 GLY 37 1HA GLY 37 7.518 13.619 -4.746 257 HA3 GLY 37 2HA GLY 37 8.321 12.439 -3.720 258 H GLU 38 H GLU 38 10.245 11.458 -4.432 259 HA GLU 38 HA GLU 38 11.897 13.146 -6.015 260 HB2 GLU 38 1HB GLU 38 12.504 11.510 -4.059 261 HB3 GLU 38 2HB GLU 38 12.650 10.325 -5.349 262 HG2 GLU 38 1HG GLU 38 14.492 11.325 -6.255 263 HG3 GLU 38 2HG GLU 38 14.063 12.922 -5.645 264 H LYS 39 H LYS 39 11.955 13.238 -8.150 265 HA LYS 39 HA LYS 39 10.591 11.901 -10.008 266 HB2 LYS 39 1HB LYS 39 12.563 12.247 -11.582 267 HB3 LYS 39 2HB LYS 39 11.962 13.674 -10.748 268 HG2 LYS 39 1HG LYS 39 13.781 13.532 -9.146 269 HG3 LYS 39 2HG LYS 39 14.370 12.062 -9.927 270 HD2 LYS 39 1HD LYS 39 15.726 13.714 -10.839 271 HD3 LYS 39 2HD LYS 39 14.469 13.519 -12.063 272 HE2 LYS 39 1HE LYS 39 13.277 15.417 -10.725 273 HE3 LYS 39 2HE LYS 39 14.898 15.744 -10.114 274 HZ1 LYS 39 3HZ LYS 39 15.623 15.859 -12.485 275 HZ2 LYS 39 1HZ LYS 39 14.567 17.094 -12.013 276 HZ3 LYS 39 2HZ LYS 39 13.994 15.799 -12.937 277 HA PRO 40 HA PRO 40 11.750 7.654 -10.010 278 HB2 PRO 40 1HB PRO 40 10.985 6.998 -12.531 279 HB3 PRO 40 2HB PRO 40 9.833 7.286 -11.221 280 HG2 PRO 40 1HG PRO 40 10.708 9.127 -13.414 281 HG3 PRO 40 2HG PRO 40 9.079 8.843 -12.775 282 HD2 PRO 40 1HD PRO 40 10.565 10.994 -12.070 283 HD3 PRO 40 2HD PRO 40 9.412 10.224 -10.961 284 H SER 41 H SER 41 13.078 9.951 -12.214 285 HA SER 41 HA SER 41 15.318 8.116 -12.754 286 HB2 SER 41 1HB SER 41 15.583 9.306 -14.957 287 HB3 SER 41 2HB SER 41 14.116 8.336 -14.826 288 HG SER 41 HG SER 41 14.320 11.147 -14.480 289 H GLY 42 H GLY 42 17.391 9.040 -12.843 290 HA2 GLY 42 1HA GLY 42 17.566 11.837 -11.920 291 HA3 GLY 42 2HA GLY 42 18.480 10.567 -11.121 292 HA PRO 43 HA PRO 43 20.317 11.287 -15.571 293 HB2 PRO 43 1HB PRO 43 19.811 13.749 -16.596 294 HB3 PRO 43 2HB PRO 43 18.784 12.347 -16.915 295 HG2 PRO 43 1HG PRO 43 18.398 14.568 -14.946 296 HG3 PRO 43 2HG PRO 43 17.210 13.805 -16.020 297 HD2 PRO 43 1HD PRO 43 17.409 13.182 -13.392 298 HD3 PRO 43 2HD PRO 43 16.917 11.998 -14.620 299 H SER 44 H SER 44 22.278 12.383 -16.103 300 HA SER 44 HA SER 44 23.555 13.574 -13.825 301 HB2 SER 44 1HB SER 44 24.679 11.985 -15.430 302 HB3 SER 44 2HB SER 44 24.674 13.287 -16.620 303 HG SER 44 HG SER 44 26.622 13.016 -15.247 304 H SER 45 H SER 45 23.177 14.682 -17.197 305 HA SER 45 HA SER 45 24.049 17.264 -16.914 306 HB2 SER 45 1HB SER 45 23.294 16.078 -19.042 307 HB3 SER 45 2HB SER 45 21.653 16.556 -18.609 308 HG SER 45 HG SER 45 22.080 18.526 -19.212 309 H GLY 46 H GLY 46 20.603 16.325 -16.816 310 HA2 GLY 46 1HA GLY 46 20.115 18.717 -15.157 311 HA3 GLY 46 2HA GLY 46 18.922 17.969 -16.208 Start of MODEL 11 1 H1 GLY 1 H GLY 1 20.984 -29.151 2.189 2 HA2 GLY 1 1HA GLY 1 21.739 -27.210 3.772 3 HA3 GLY 1 2HA GLY 1 22.829 -26.885 2.432 4 H SER 2 H SER 2 19.442 -27.939 2.376 5 HA SER 2 HA SER 2 18.829 -25.538 0.788 6 HB2 SER 2 1HB SER 2 17.122 -26.773 -0.318 7 HB3 SER 2 2HB SER 2 18.521 -27.844 -0.253 8 HG SER 2 HG SER 2 17.339 -28.444 1.896 9 H SER 3 H SER 3 17.732 -24.014 1.810 10 HA SER 3 HA SER 3 15.817 -24.817 3.902 11 HB2 SER 3 1HB SER 3 17.800 -22.557 3.853 12 HB3 SER 3 2HB SER 3 16.345 -22.454 4.844 13 HG SER 3 HG SER 3 17.195 -23.813 6.201 14 H GLY 4 H GLY 4 13.940 -23.495 4.142 15 HA2 GLY 4 1HA GLY 4 13.400 -21.599 1.971 16 HA3 GLY 4 2HA GLY 4 12.338 -22.990 2.135 17 H SER 5 H SER 5 11.175 -20.590 2.259 18 HA SER 5 HA SER 5 10.214 -20.514 4.994 19 HB2 SER 5 1HB SER 5 10.464 -18.025 5.128 20 HB3 SER 5 2HB SER 5 12.000 -18.892 5.141 21 HG SER 5 HG SER 5 12.063 -17.125 3.709 22 H SER 6 H SER 6 8.090 -20.021 5.110 23 HA SER 6 HA SER 6 6.728 -19.467 2.579 24 HB2 SER 6 1HB SER 6 6.152 -21.406 4.259 25 HB3 SER 6 2HB SER 6 5.277 -20.136 5.115 26 HG SER 6 HG SER 6 3.765 -20.335 3.686 27 H GLY 7 H GLY 7 4.704 -18.092 2.764 28 HA2 GLY 7 1HA GLY 7 5.140 -15.845 4.627 29 HA3 GLY 7 2HA GLY 7 4.859 -15.558 2.916 30 H THR 8 H THR 8 3.433 -16.391 5.960 31 HA THR 8 HA THR 8 0.799 -16.831 4.831 32 HB THR 8 HB THR 8 1.567 -16.566 7.743 33 HG1 THR 8 HG1 THR 8 2.516 -18.426 7.373 34 HG21 THR 8 3HG2 THR 8 -0.817 -16.280 7.333 35 HG22 THR 8 1HG2 THR 8 -0.514 -17.826 8.125 36 HG23 THR 8 2HG2 THR 8 -0.852 -17.773 6.395 37 H GLY 9 H GLY 9 0.071 -14.951 3.920 38 HA2 GLY 9 1HA GLY 9 -1.314 -13.095 5.338 39 HA3 GLY 9 2HA GLY 9 0.309 -12.422 5.286 40 H GLU 10 H GLU 10 -2.621 -12.874 3.600 41 HA GLU 10 HA GLU 10 -1.425 -11.815 1.127 42 HB2 GLU 10 1HB GLU 10 -3.923 -13.426 1.618 43 HB3 GLU 10 2HB GLU 10 -3.655 -12.560 0.112 44 HG2 GLU 10 1HG GLU 10 -1.793 -14.643 1.228 45 HG3 GLU 10 2HG GLU 10 -3.043 -14.958 0.026 46 H LYS 11 H LYS 11 -1.841 -9.783 0.582 47 HA LYS 11 HA LYS 11 -3.960 -8.353 2.028 48 HB2 LYS 11 1HB LYS 11 -1.381 -7.507 0.762 49 HB3 LYS 11 2HB LYS 11 -2.671 -6.329 0.971 50 HG2 LYS 11 1HG LYS 11 -1.497 -6.014 2.901 51 HG3 LYS 11 2HG LYS 11 -2.666 -7.225 3.435 52 HD2 LYS 11 1HD LYS 11 -1.021 -8.986 3.093 53 HD3 LYS 11 2HD LYS 11 0.144 -7.803 2.494 54 HE2 LYS 11 1HE LYS 11 0.350 -6.789 4.614 55 HE3 LYS 11 2HE LYS 11 -1.082 -7.610 5.232 56 HZ1 LYS 11 3HZ LYS 11 0.579 -8.864 6.142 57 HZ2 LYS 11 1HZ LYS 11 1.630 -8.655 4.833 58 HZ3 LYS 11 2HZ LYS 11 0.324 -9.722 4.707 59 HA PRO 12 HA PRO 12 -6.413 -8.028 -1.613 60 HB2 PRO 12 1HB PRO 12 -7.839 -5.806 -0.979 61 HB3 PRO 12 2HB PRO 12 -8.123 -7.379 -0.223 62 HG2 PRO 12 1HG PRO 12 -6.572 -5.035 0.807 63 HG3 PRO 12 2HG PRO 12 -7.709 -6.089 1.667 64 HD2 PRO 12 1HD PRO 12 -5.023 -6.371 1.868 65 HD3 PRO 12 2HD PRO 12 -6.138 -7.749 1.967 66 H PHE 13 H PHE 13 -4.304 -5.480 -0.573 67 HA PHE 13 HA PHE 13 -4.347 -4.360 -3.298 68 HB2 PHE 13 1HB PHE 13 -3.535 -2.747 -0.897 69 HB3 PHE 13 2HB PHE 13 -4.063 -2.182 -2.478 70 HD1 PHE 13 HD1 PHE 13 -6.538 -3.612 -2.919 71 HD2 PHE 13 HD2 PHE 13 -5.002 -1.895 0.659 72 HE1 PHE 13 HE1 PHE 13 -8.831 -3.356 -2.063 73 HE2 PHE 13 HE2 PHE 13 -7.292 -1.636 1.522 74 HZ PHE 13 HZ PHE 13 -9.210 -2.368 0.161 75 H LYS 14 H LYS 14 -2.344 -3.624 -4.144 76 HA LYS 14 HA LYS 14 0.096 -4.149 -2.690 77 HB2 LYS 14 1HB LYS 14 -0.581 -6.378 -3.616 78 HB3 LYS 14 2HB LYS 14 -0.453 -5.692 -5.230 79 HG2 LYS 14 1HG LYS 14 1.909 -5.282 -4.904 80 HG3 LYS 14 2HG LYS 14 1.804 -5.871 -3.243 81 HD2 LYS 14 1HD LYS 14 1.407 -8.081 -3.940 82 HD3 LYS 14 2HD LYS 14 1.015 -7.580 -5.586 83 HE2 LYS 14 1HE LYS 14 3.310 -6.984 -6.002 84 HE3 LYS 14 2HE LYS 14 3.736 -7.293 -4.319 85 HZ1 LYS 14 3HZ LYS 14 3.203 -9.624 -4.645 86 HZ2 LYS 14 1HZ LYS 14 4.380 -9.128 -5.754 87 HZ3 LYS 14 2HZ LYS 14 2.778 -9.331 -6.256 88 H CYS 15 H CYS 15 1.835 -3.034 -3.498 89 HA CYS 15 HA CYS 15 1.229 -0.992 -5.450 90 HB2 CYS 15 1HB CYS 15 2.495 -0.431 -3.420 91 HB3 CYS 15 2HB CYS 15 3.773 -1.541 -3.906 92 H GLY 16 H GLY 16 1.629 -1.134 -7.554 93 HA2 GLY 16 1HA GLY 16 3.245 -3.358 -8.541 94 HA3 GLY 16 2HA GLY 16 2.178 -2.343 -9.499 95 H GLU 17 H GLU 17 4.584 -1.089 -7.276 96 HA GLU 17 HA GLU 17 6.188 -0.208 -9.584 97 HB2 GLU 17 1HB GLU 17 5.645 1.408 -7.088 98 HB3 GLU 17 2HB GLU 17 6.584 1.921 -8.483 99 HG2 GLU 17 1HG GLU 17 3.747 1.109 -8.871 100 HG3 GLU 17 2HG GLU 17 4.105 2.687 -8.171 101 H CYS 18 H CYS 18 6.171 -0.847 -6.097 102 HA CYS 18 HA CYS 18 9.054 -1.439 -6.271 103 HB2 CYS 18 1HB CYS 18 9.274 -0.816 -3.956 104 HB3 CYS 18 2HB CYS 18 8.442 0.488 -4.798 105 H GLY 19 H GLY 19 5.999 -2.401 -4.738 106 HA2 GLY 19 1HA GLY 19 5.506 -4.833 -4.914 107 HA3 GLY 19 2HA GLY 19 7.157 -5.096 -4.374 108 H LYS 20 H LYS 20 5.101 -2.595 -3.049 109 HA LYS 20 HA LYS 20 5.216 -3.963 -0.458 110 HB2 LYS 20 1HB LYS 20 5.052 -1.120 -1.319 111 HB3 LYS 20 2HB LYS 20 4.279 -1.549 0.201 112 HG2 LYS 20 1HG LYS 20 6.615 -2.722 0.630 113 HG3 LYS 20 2HG LYS 20 7.152 -1.497 -0.522 114 HD2 LYS 20 1HD LYS 20 6.567 0.257 0.876 115 HD3 LYS 20 2HD LYS 20 5.417 -0.722 1.789 116 HE2 LYS 20 1HE LYS 20 7.188 -1.897 2.887 117 HE3 LYS 20 2HE LYS 20 8.398 -1.157 1.841 118 HZ1 LYS 20 3HZ LYS 20 8.595 0.199 3.623 119 HZ2 LYS 20 1HZ LYS 20 7.005 -0.044 4.148 120 HZ3 LYS 20 2HZ LYS 20 7.320 1.016 2.868 121 H SER 21 H SER 21 3.456 -4.821 0.437 122 HA SER 21 HA SER 21 0.850 -4.221 -0.791 123 HB2 SER 21 1HB SER 21 0.119 -6.415 -0.044 124 HB3 SER 21 2HB SER 21 1.625 -6.582 -0.946 125 HG SER 21 HG SER 21 1.477 -6.421 1.882 126 H TYR 22 H TYR 22 -0.835 -3.537 0.431 127 HA TYR 22 HA TYR 22 -0.359 -3.226 3.323 128 HB2 TYR 22 1HB TYR 22 -1.676 -1.287 1.415 129 HB3 TYR 22 2HB TYR 22 -1.721 -1.124 3.167 130 HD1 TYR 22 HD2 TYR 22 0.461 -1.030 0.199 131 HD2 TYR 22 HD1 TYR 22 0.176 -0.322 4.385 132 HE1 TYR 22 HE2 TYR 22 2.605 0.173 0.136 133 HE2 TYR 22 HE1 TYR 22 2.319 0.884 4.333 134 HH TYR 22 HH TYR 22 4.331 0.933 1.482 135 H ASN 23 H ASN 23 -2.415 -2.905 4.571 136 HA ASN 23 HA ASN 23 -4.339 -4.913 3.714 137 HB2 ASN 23 1HB ASN 23 -3.787 -3.515 6.320 138 HB3 ASN 23 2HB ASN 23 -5.275 -4.426 6.080 139 HD21 ASN 23 1HD2 ASN 23 -4.622 -5.842 7.740 140 HD22 ASN 23 2HD2 ASN 23 -3.438 -7.068 7.452 141 H GLN 24 H GLN 24 -4.131 -1.469 4.283 142 HA GLN 24 HA GLN 24 -6.969 -1.194 3.553 143 HB2 GLN 24 1HB GLN 24 -5.147 0.688 5.057 144 HB3 GLN 24 2HB GLN 24 -6.780 1.095 4.547 145 HG2 GLN 24 1HG GLN 24 -6.008 -1.100 6.456 146 HG3 GLN 24 2HG GLN 24 -6.737 0.448 6.879 147 HE21 GLN 24 1HE2 GLN 24 -7.360 -2.730 6.374 148 HE22 GLN 24 2HE2 GLN 24 -9.047 -2.645 6.012 149 H ARG 25 H ARG 25 -7.537 0.637 2.176 150 HA ARG 25 HA ARG 25 -5.820 0.781 -0.102 151 HB2 ARG 25 1HB ARG 25 -8.271 2.459 0.435 152 HB3 ARG 25 2HB ARG 25 -7.558 2.076 -1.126 153 HG2 ARG 25 1HG ARG 25 -8.283 -0.160 -1.027 154 HG3 ARG 25 2HG ARG 25 -8.669 -0.038 0.691 155 HD2 ARG 25 1HD ARG 25 -10.480 1.505 0.196 156 HD3 ARG 25 2HD ARG 25 -10.067 1.467 -1.518 157 HE ARG 25 HE ARG 25 -11.239 -0.480 -1.697 158 HH11 ARG 25 1HH1 ARG 25 -10.413 0.015 1.648 159 HH12 ARG 25 2HH1 ARG 25 -11.325 -1.347 2.210 160 HH21 ARG 25 1HH2 ARG 25 -12.444 -2.275 -0.970 161 HH22 ARG 25 2HH2 ARG 25 -12.480 -2.649 0.720 162 H VAL 26 H VAL 26 -6.938 3.168 2.288 163 HA VAL 26 HA VAL 26 -5.606 5.397 1.304 164 HB VAL 26 HB VAL 26 -7.289 5.285 3.221 165 HG11 VAL 26 1HG1 VAL 26 -4.872 5.048 4.978 166 HG12 VAL 26 2HG1 VAL 26 -6.577 4.887 5.404 167 HG13 VAL 26 3HG1 VAL 26 -5.776 3.620 4.474 168 HG21 VAL 26 3HG2 VAL 26 -5.953 7.207 4.447 169 HG22 VAL 26 1HG2 VAL 26 -4.889 7.031 3.051 170 HG23 VAL 26 2HG2 VAL 26 -6.592 7.425 2.818 171 H HIS 27 H HIS 27 -4.373 2.640 3.000 172 HA HIS 27 HA HIS 27 -1.915 3.850 3.835 173 HB2 HIS 27 1HB HIS 27 -2.920 1.019 3.696 174 HB3 HIS 27 2HB HIS 27 -1.240 1.365 4.095 175 HD1 HIS 27 HD1 HIS 27 -3.171 0.018 6.113 176 HD2 HIS 27 HD2 HIS 27 -2.364 4.091 5.969 177 HE1 HIS 27 HE1 HIS 27 -3.695 0.890 8.414 178 H LEU 28 H LEU 28 -3.022 2.107 1.010 179 HA LEU 28 HA LEU 28 -0.401 1.713 -0.088 180 HB2 LEU 28 1HB LEU 28 -2.181 0.190 -0.658 181 HB3 LEU 28 2HB LEU 28 -3.148 1.511 -1.311 182 HG LEU 28 HG LEU 28 -1.637 1.768 -3.167 183 HD11 LEU 28 1HD1 LEU 28 0.343 0.491 -3.465 184 HD12 LEU 28 2HD1 LEU 28 -0.007 -0.503 -2.051 185 HD13 LEU 28 3HD1 LEU 28 0.419 1.196 -1.850 186 HD21 LEU 28 3HD2 LEU 28 -3.407 -0.100 -3.077 187 HD22 LEU 28 1HD2 LEU 28 -2.031 -1.193 -2.926 188 HD23 LEU 28 2HD2 LEU 28 -2.185 -0.161 -4.348 189 H THR 29 H THR 29 -3.155 3.779 -1.020 190 HA THR 29 HA THR 29 -1.923 5.211 -3.041 191 HB THR 29 HB THR 29 -4.387 5.281 -2.187 192 HG1 THR 29 HG1 THR 29 -2.883 7.370 -3.353 193 HG21 THR 29 3HG2 THR 29 -3.299 7.724 -0.792 194 HG22 THR 29 1HG2 THR 29 -3.717 6.228 0.041 195 HG23 THR 29 2HG2 THR 29 -4.964 7.145 -0.804 196 H GLN 30 H GLN 30 -1.880 5.794 0.445 197 HA GLN 30 HA GLN 30 -0.474 8.260 0.295 198 HB2 GLN 30 1HB GLN 30 -0.868 6.293 2.550 199 HB3 GLN 30 2HB GLN 30 -0.037 7.830 2.743 200 HG2 GLN 30 1HG GLN 30 -2.809 7.727 1.630 201 HG3 GLN 30 2HG GLN 30 -2.528 7.658 3.369 202 HE21 GLN 30 1HE2 GLN 30 -3.198 9.670 0.882 203 HE22 GLN 30 2HE2 GLN 30 -2.608 11.157 1.535 204 H HIS 31 H HIS 31 0.478 4.992 0.009 205 HA HIS 31 HA HIS 31 3.238 5.472 0.765 206 HB2 HIS 31 1HB HIS 31 2.697 3.313 1.355 207 HB3 HIS 31 2HB HIS 31 1.626 3.090 -0.025 208 HD1 HIS 31 HD1 HIS 31 5.301 3.109 0.849 209 HD2 HIS 31 HD2 HIS 31 2.767 1.863 -2.199 210 HE1 HIS 31 HE1 HIS 31 6.735 1.744 -0.702 211 H GLN 32 H GLN 32 1.306 5.131 -2.138 212 HA GLN 32 HA GLN 32 3.341 4.784 -4.018 213 HB2 GLN 32 1HB GLN 32 0.658 6.146 -4.252 214 HB3 GLN 32 2HB GLN 32 1.709 5.835 -5.627 215 HG2 GLN 32 1HG GLN 32 1.629 3.404 -5.008 216 HG3 GLN 32 2HG GLN 32 0.372 3.822 -3.844 217 HE21 GLN 32 1HE2 GLN 32 -0.637 2.139 -5.357 218 HE22 GLN 32 2HE2 GLN 32 -1.543 2.774 -6.684 219 H ARG 33 H ARG 33 2.481 7.529 -2.148 220 HA ARG 33 HA ARG 33 3.377 9.605 -3.812 221 HB2 ARG 33 1HB ARG 33 3.298 9.384 -0.800 222 HB3 ARG 33 2HB ARG 33 3.681 10.869 -1.661 223 HG2 ARG 33 1HG ARG 33 1.478 10.831 -2.714 224 HG3 ARG 33 2HG ARG 33 1.094 9.341 -1.851 225 HD2 ARG 33 1HD ARG 33 1.813 11.948 -0.520 226 HD3 ARG 33 2HD ARG 33 0.162 11.394 -0.797 227 HE ARG 33 HE ARG 33 0.408 9.861 0.910 228 HH11 ARG 33 1HH1 ARG 33 3.472 11.338 0.168 229 HH12 ARG 33 2HH1 ARG 33 4.264 10.710 1.576 230 HH21 ARG 33 1HH2 ARG 33 1.439 9.029 2.767 231 HH22 ARG 33 2HH2 ARG 33 3.106 9.396 3.053 232 H VAL 34 H VAL 34 5.093 7.165 -2.147 233 HA VAL 34 HA VAL 34 7.568 8.574 -1.842 234 HB VAL 34 HB VAL 34 8.525 6.509 -1.167 235 HG11 VAL 34 1HG1 VAL 34 6.246 5.603 0.123 236 HG12 VAL 34 2HG1 VAL 34 7.374 6.825 0.715 237 HG13 VAL 34 3HG1 VAL 34 5.927 7.313 -0.168 238 HG21 VAL 34 3HG2 VAL 34 6.857 4.433 -1.409 239 HG22 VAL 34 1HG2 VAL 34 6.381 5.345 -2.842 240 HG23 VAL 34 2HG2 VAL 34 8.058 4.841 -2.634 241 H HIS 35 H HIS 35 5.966 7.149 -4.469 242 HA HIS 35 HA HIS 35 8.448 6.731 -5.969 243 HB2 HIS 35 1HB HIS 35 5.609 6.096 -6.794 244 HB3 HIS 35 2HB HIS 35 7.080 5.595 -7.622 245 HD1 HIS 35 HD1 HIS 35 8.717 4.462 -5.338 246 HD2 HIS 35 HD2 HIS 35 4.642 3.779 -5.776 247 HE1 HIS 35 HE1 HIS 35 8.250 2.341 -4.070 248 H THR 36 H THR 36 5.655 8.798 -5.772 249 HA THR 36 HA THR 36 6.386 10.176 -8.247 250 HB THR 36 HB THR 36 4.296 11.396 -8.023 251 HG1 THR 36 HG1 THR 36 4.516 11.088 -5.524 252 HG21 THR 36 3HG2 THR 36 3.206 8.775 -7.357 253 HG22 THR 36 1HG2 THR 36 4.522 8.694 -8.527 254 HG23 THR 36 2HG2 THR 36 3.106 9.692 -8.860 255 H GLY 37 H GLY 37 7.066 12.290 -8.328 256 HA2 GLY 37 1HA GLY 37 7.000 14.126 -6.207 257 HA3 GLY 37 2HA GLY 37 8.544 13.288 -6.155 258 H GLU 38 H GLU 38 9.783 13.266 -8.242 259 HA GLU 38 HA GLU 38 10.280 15.875 -9.099 260 HB2 GLU 38 1HB GLU 38 11.069 13.168 -10.101 261 HB3 GLU 38 2HB GLU 38 11.436 14.584 -11.077 262 HG2 GLU 38 1HG GLU 38 12.844 15.488 -9.437 263 HG3 GLU 38 2HG GLU 38 12.232 14.400 -8.193 264 H LYS 39 H LYS 39 10.183 16.648 -11.384 265 HA LYS 39 HA LYS 39 7.591 16.945 -12.268 266 HB2 LYS 39 1HB LYS 39 10.212 17.187 -13.736 267 HB3 LYS 39 2HB LYS 39 8.675 17.581 -14.496 268 HG2 LYS 39 1HG LYS 39 9.473 18.841 -11.901 269 HG3 LYS 39 2HG LYS 39 10.057 19.473 -13.442 270 HD2 LYS 39 1HD LYS 39 7.700 19.670 -14.195 271 HD3 LYS 39 2HD LYS 39 7.179 19.160 -12.587 272 HE2 LYS 39 1HE LYS 39 8.932 21.556 -13.098 273 HE3 LYS 39 2HE LYS 39 7.176 21.640 -12.977 274 HZ1 LYS 39 3HZ LYS 39 8.473 22.131 -10.889 275 HZ2 LYS 39 1HZ LYS 39 8.854 20.483 -10.831 276 HZ3 LYS 39 2HZ LYS 39 7.240 20.982 -10.741 277 HA PRO 40 HA PRO 40 6.449 13.302 -14.435 278 HB2 PRO 40 1HB PRO 40 4.893 14.325 -16.410 279 HB3 PRO 40 2HB PRO 40 4.381 14.261 -14.720 280 HG2 PRO 40 1HG PRO 40 5.514 16.558 -16.269 281 HG3 PRO 40 2HG PRO 40 4.161 16.540 -15.124 282 HD2 PRO 40 1HD PRO 40 6.637 17.396 -14.440 283 HD3 PRO 40 2HD PRO 40 5.551 16.595 -13.286 284 H SER 41 H SER 41 6.957 12.044 -16.216 285 HA SER 41 HA SER 41 7.948 13.052 -18.664 286 HB2 SER 41 1HB SER 41 9.926 13.681 -17.458 287 HB3 SER 41 2HB SER 41 10.002 12.113 -16.653 288 HG SER 41 HG SER 41 11.360 12.617 -18.662 289 H GLY 42 H GLY 42 8.344 11.414 -20.187 290 HA2 GLY 42 1HA GLY 42 8.769 8.740 -19.815 291 HA3 GLY 42 2HA GLY 42 7.036 8.927 -19.592 292 HA PRO 43 HA PRO 43 6.451 8.604 -23.923 293 HB2 PRO 43 1HB PRO 43 4.230 10.126 -24.264 294 HB3 PRO 43 2HB PRO 43 4.195 8.537 -23.492 295 HG2 PRO 43 1HG PRO 43 4.222 11.254 -22.235 296 HG3 PRO 43 2HG PRO 43 3.259 9.830 -21.801 297 HD2 PRO 43 1HD PRO 43 5.490 10.547 -20.445 298 HD3 PRO 43 2HD PRO 43 4.994 8.854 -20.639 299 H SER 44 H SER 44 6.893 11.704 -22.446 300 HA SER 44 HA SER 44 7.212 13.041 -25.023 301 HB2 SER 44 1HB SER 44 7.248 14.076 -22.181 302 HB3 SER 44 2HB SER 44 7.556 15.087 -23.593 303 HG SER 44 HG SER 44 5.432 14.263 -24.342 304 H SER 45 H SER 45 9.139 14.638 -25.072 305 HA SER 45 HA SER 45 11.513 13.096 -25.060 306 HB2 SER 45 1HB SER 45 10.811 15.230 -26.460 307 HB3 SER 45 2HB SER 45 11.629 16.083 -25.151 308 HG SER 45 HG SER 45 13.326 14.311 -25.676 309 H GLY 46 H GLY 46 10.529 15.905 -23.092 310 HA2 GLY 46 1HA GLY 46 10.899 15.727 -20.663 311 HA3 GLY 46 2HA GLY 46 12.445 14.982 -21.040 Start of MODEL 12 1 H1 GLY 1 H GLY 1 21.598 -16.646 -3.919 2 HA2 GLY 1 1HA GLY 1 22.285 -14.927 -1.729 3 HA3 GLY 1 2HA GLY 1 20.728 -15.012 -2.540 4 H SER 2 H SER 2 20.705 -14.647 0.119 5 HA SER 2 HA SER 2 19.944 -17.291 1.177 6 HB2 SER 2 1HB SER 2 21.437 -15.034 2.434 7 HB3 SER 2 2HB SER 2 20.358 -15.984 3.456 8 HG SER 2 HG SER 2 21.560 -17.837 2.353 9 H SER 3 H SER 3 17.792 -17.132 0.568 10 HA SER 3 HA SER 3 16.225 -15.185 2.114 11 HB2 SER 3 1HB SER 3 15.930 -15.866 -0.811 12 HB3 SER 3 2HB SER 3 14.621 -15.143 0.123 13 HG SER 3 HG SER 3 16.547 -13.611 0.696 14 H GLY 4 H GLY 4 14.857 -16.189 3.422 15 HA2 GLY 4 1HA GLY 4 13.656 -18.727 2.522 16 HA3 GLY 4 2HA GLY 4 14.371 -18.602 4.123 17 H SER 5 H SER 5 12.020 -16.860 2.084 18 HA SER 5 HA SER 5 10.048 -17.025 4.200 19 HB2 SER 5 1HB SER 5 11.411 -14.977 4.722 20 HB3 SER 5 2HB SER 5 10.889 -14.304 3.178 21 HG SER 5 HG SER 5 9.530 -14.523 5.543 22 H SER 6 H SER 6 8.263 -17.644 3.198 23 HA SER 6 HA SER 6 7.301 -16.216 0.877 24 HB2 SER 6 1HB SER 6 7.103 -18.164 -0.565 25 HB3 SER 6 2HB SER 6 8.791 -17.951 -0.101 26 HG SER 6 HG SER 6 7.222 -19.581 1.520 27 H GLY 7 H GLY 7 5.089 -16.785 0.322 28 HA2 GLY 7 1HA GLY 7 2.968 -17.637 0.769 29 HA3 GLY 7 2HA GLY 7 3.641 -18.536 2.120 30 H THR 8 H THR 8 3.183 -15.123 1.188 31 HA THR 8 HA THR 8 1.486 -14.557 3.386 32 HB THR 8 HB THR 8 3.584 -14.768 4.660 33 HG1 THR 8 HG1 THR 8 2.440 -12.177 4.403 34 HG21 THR 8 3HG2 THR 8 4.637 -12.301 3.346 35 HG22 THR 8 1HG2 THR 8 4.931 -13.870 2.598 36 HG23 THR 8 2HG2 THR 8 5.501 -13.554 4.237 37 H GLY 9 H GLY 9 0.441 -12.640 3.100 38 HA2 GLY 9 1HA GLY 9 0.613 -10.284 2.357 39 HA3 GLY 9 2HA GLY 9 1.469 -10.893 0.948 40 H GLU 10 H GLU 10 -1.511 -12.003 2.542 41 HA GLU 10 HA GLU 10 -2.819 -12.156 -0.041 42 HB2 GLU 10 1HB GLU 10 -3.463 -13.086 2.727 43 HB3 GLU 10 2HB GLU 10 -4.765 -12.931 1.556 44 HG2 GLU 10 1HG GLU 10 -3.919 -14.597 0.194 45 HG3 GLU 10 2HG GLU 10 -2.295 -14.459 0.865 46 H LYS 11 H LYS 11 -2.241 -9.554 0.478 47 HA LYS 11 HA LYS 11 -4.672 -8.316 1.532 48 HB2 LYS 11 1HB LYS 11 -1.977 -7.204 0.756 49 HB3 LYS 11 2HB LYS 11 -3.344 -6.178 1.170 50 HG2 LYS 11 1HG LYS 11 -2.201 -6.311 3.165 51 HG3 LYS 11 2HG LYS 11 -3.421 -7.575 3.348 52 HD2 LYS 11 1HD LYS 11 -1.754 -9.244 2.616 53 HD3 LYS 11 2HD LYS 11 -0.542 -7.964 2.528 54 HE2 LYS 11 1HE LYS 11 -2.079 -8.546 5.043 55 HE3 LYS 11 2HE LYS 11 -0.588 -9.395 4.640 56 HZ1 LYS 11 3HZ LYS 11 0.188 -6.883 4.299 57 HZ2 LYS 11 1HZ LYS 11 0.315 -7.692 5.779 58 HZ3 LYS 11 2HZ LYS 11 -0.983 -6.645 5.496 59 HA PRO 12 HA PRO 12 -6.365 -7.572 -2.462 60 HB2 PRO 12 1HB PRO 12 -7.943 -5.442 -1.874 61 HB3 PRO 12 2HB PRO 12 -8.332 -7.093 -1.375 62 HG2 PRO 12 1HG PRO 12 -7.073 -4.884 0.205 63 HG3 PRO 12 2HG PRO 12 -8.331 -6.033 0.695 64 HD2 PRO 12 1HD PRO 12 -5.731 -6.332 1.393 65 HD3 PRO 12 2HD PRO 12 -6.809 -7.714 1.109 66 H PHE 13 H PHE 13 -4.596 -5.136 -0.729 67 HA PHE 13 HA PHE 13 -4.264 -3.587 -3.210 68 HB2 PHE 13 1HB PHE 13 -3.537 -2.607 -0.457 69 HB3 PHE 13 2HB PHE 13 -3.834 -1.662 -1.913 70 HD1 PHE 13 HD1 PHE 13 -6.338 -2.450 -2.920 71 HD2 PHE 13 HD2 PHE 13 -5.110 -2.185 1.147 72 HE1 PHE 13 HE1 PHE 13 -8.681 -2.133 -2.237 73 HE2 PHE 13 HE2 PHE 13 -7.451 -1.868 1.837 74 HZ PHE 13 HZ PHE 13 -9.240 -1.843 0.144 75 H LYS 14 H LYS 14 -2.259 -3.219 -4.037 76 HA LYS 14 HA LYS 14 0.114 -3.948 -2.538 77 HB2 LYS 14 1HB LYS 14 -0.806 -6.046 -3.686 78 HB3 LYS 14 2HB LYS 14 -0.352 -5.278 -5.201 79 HG2 LYS 14 1HG LYS 14 1.982 -5.057 -4.160 80 HG3 LYS 14 2HG LYS 14 1.411 -6.241 -2.981 81 HD2 LYS 14 1HD LYS 14 2.300 -7.660 -4.532 82 HD3 LYS 14 2HD LYS 14 0.664 -7.519 -5.179 83 HE2 LYS 14 1HE LYS 14 2.809 -5.625 -6.054 84 HE3 LYS 14 2HE LYS 14 2.698 -7.234 -6.767 85 HZ1 LYS 14 3HZ LYS 14 1.142 -4.937 -7.316 86 HZ2 LYS 14 1HZ LYS 14 0.137 -6.194 -6.793 87 HZ3 LYS 14 2HZ LYS 14 1.161 -6.427 -8.119 88 H CYS 15 H CYS 15 1.942 -2.914 -3.243 89 HA CYS 15 HA CYS 15 1.523 -0.883 -5.306 90 HB2 CYS 15 1HB CYS 15 2.336 0.063 -3.291 91 HB3 CYS 15 2HB CYS 15 3.550 -1.198 -3.098 92 H GLY 16 H GLY 16 2.122 -1.389 -7.304 93 HA2 GLY 16 1HA GLY 16 3.976 -3.507 -7.857 94 HA3 GLY 16 2HA GLY 16 3.205 -2.461 -9.040 95 H GLU 17 H GLU 17 4.196 -0.044 -7.592 96 HA GLU 17 HA GLU 17 6.414 0.542 -9.111 97 HB2 GLU 17 1HB GLU 17 5.828 1.643 -6.357 98 HB3 GLU 17 2HB GLU 17 6.824 2.401 -7.592 99 HG2 GLU 17 1HG GLU 17 3.992 1.751 -8.229 100 HG3 GLU 17 2HG GLU 17 4.345 3.144 -7.208 101 H CYS 18 H CYS 18 6.368 -0.604 -5.742 102 HA CYS 18 HA CYS 18 9.184 -1.408 -6.078 103 HB2 CYS 18 1HB CYS 18 9.531 -1.008 -3.706 104 HB3 CYS 18 2HB CYS 18 8.908 0.452 -4.468 105 H GLY 19 H GLY 19 6.097 -2.170 -4.512 106 HA2 GLY 19 1HA GLY 19 5.360 -4.521 -4.796 107 HA3 GLY 19 2HA GLY 19 6.996 -4.982 -4.350 108 H LYS 20 H LYS 20 4.877 -2.543 -2.890 109 HA LYS 20 HA LYS 20 5.094 -4.021 -0.352 110 HB2 LYS 20 1HB LYS 20 4.984 -1.093 -0.987 111 HB3 LYS 20 2HB LYS 20 4.445 -1.668 0.585 112 HG2 LYS 20 1HG LYS 20 6.719 -2.835 0.728 113 HG3 LYS 20 2HG LYS 20 7.186 -1.792 -0.618 114 HD2 LYS 20 1HD LYS 20 6.272 0.123 0.869 115 HD3 LYS 20 2HD LYS 20 6.432 -1.044 2.184 116 HE2 LYS 20 1HE LYS 20 8.834 -1.371 1.236 117 HE3 LYS 20 2HE LYS 20 8.552 0.194 0.474 118 HZ1 LYS 20 3HZ LYS 20 9.101 1.139 2.384 119 HZ2 LYS 20 1HZ LYS 20 9.254 -0.364 3.146 120 HZ3 LYS 20 2HZ LYS 20 7.758 0.425 3.125 121 H SER 21 H SER 21 3.296 -4.793 0.546 122 HA SER 21 HA SER 21 0.718 -3.987 -0.613 123 HB2 SER 21 1HB SER 21 -0.149 -6.118 0.113 124 HB3 SER 21 2HB SER 21 1.373 -6.406 -0.731 125 HG SER 21 HG SER 21 1.008 -6.290 2.083 126 H TYR 22 H TYR 22 -1.099 -3.669 0.770 127 HA TYR 22 HA TYR 22 -0.574 -3.319 3.616 128 HB2 TYR 22 1HB TYR 22 -1.647 -1.069 1.902 129 HB3 TYR 22 2HB TYR 22 -1.421 -1.031 3.647 130 HD1 TYR 22 HD2 TYR 22 0.395 -1.285 0.422 131 HD2 TYR 22 HD1 TYR 22 0.654 -0.425 4.580 132 HE1 TYR 22 HE2 TYR 22 2.683 -0.444 0.099 133 HE2 TYR 22 HE1 TYR 22 2.943 0.420 4.269 134 HH TYR 22 HH TYR 22 4.345 1.323 2.487 135 H ASN 23 H ASN 23 -2.250 -3.981 4.794 136 HA ASN 23 HA ASN 23 -4.477 -5.229 3.760 137 HB2 ASN 23 1HB ASN 23 -4.357 -3.836 6.443 138 HB3 ASN 23 2HB ASN 23 -5.407 -5.178 5.997 139 HD21 ASN 23 1HD2 ASN 23 -4.777 -6.960 6.955 140 HD22 ASN 23 2HD2 ASN 23 -3.144 -7.483 7.169 141 H GLN 24 H GLN 24 -4.106 -1.856 4.736 142 HA GLN 24 HA GLN 24 -6.854 -1.287 3.917 143 HB2 GLN 24 1HB GLN 24 -4.798 0.504 5.223 144 HB3 GLN 24 2HB GLN 24 -6.472 0.936 4.898 145 HG2 GLN 24 1HG GLN 24 -5.432 -1.104 6.840 146 HG3 GLN 24 2HG GLN 24 -6.337 0.369 7.185 147 HE21 GLN 24 1HE2 GLN 24 -6.898 -2.414 7.898 148 HE22 GLN 24 2HE2 GLN 24 -8.466 -2.759 7.260 149 H ARG 25 H ARG 25 -7.326 0.432 2.439 150 HA ARG 25 HA ARG 25 -5.569 0.439 0.172 151 HB2 ARG 25 1HB ARG 25 -8.068 0.412 0.016 152 HB3 ARG 25 2HB ARG 25 -8.075 2.069 0.604 153 HG2 ARG 25 1HG ARG 25 -7.293 2.919 -1.358 154 HG3 ARG 25 2HG ARG 25 -6.411 1.448 -1.772 155 HD2 ARG 25 1HD ARG 25 -8.564 0.327 -2.225 156 HD3 ARG 25 2HD ARG 25 -9.398 1.844 -1.891 157 HE ARG 25 HE ARG 25 -7.582 2.467 -3.835 158 HH11 ARG 25 1HH1 ARG 25 -10.165 0.154 -3.514 159 HH12 ARG 25 2HH1 ARG 25 -10.530 0.130 -5.207 160 HH21 ARG 25 1HH2 ARG 25 -8.053 2.444 -6.067 161 HH22 ARG 25 2HH2 ARG 25 -9.327 1.433 -6.659 162 H VAL 26 H VAL 26 -6.717 2.897 2.467 163 HA VAL 26 HA VAL 26 -5.421 5.111 1.393 164 HB VAL 26 HB VAL 26 -7.100 5.171 3.242 165 HG11 VAL 26 1HG1 VAL 26 -4.965 4.839 5.262 166 HG12 VAL 26 2HG1 VAL 26 -6.684 4.453 5.352 167 HG13 VAL 26 3HG1 VAL 26 -5.580 3.370 4.504 168 HG21 VAL 26 3HG2 VAL 26 -5.088 6.747 4.529 169 HG22 VAL 26 1HG2 VAL 26 -4.879 6.839 2.780 170 HG23 VAL 26 2HG2 VAL 26 -6.426 7.272 3.508 171 H HIS 27 H HIS 27 -4.100 2.365 2.928 172 HA HIS 27 HA HIS 27 -1.669 3.657 3.807 173 HB2 HIS 27 1HB HIS 27 -2.788 0.903 3.907 174 HB3 HIS 27 2HB HIS 27 -1.036 1.064 3.967 175 HD1 HIS 27 HD1 HIS 27 -1.213 0.122 6.434 176 HD2 HIS 27 HD2 HIS 27 -2.952 3.845 5.819 177 HE1 HIS 27 HE1 HIS 27 -1.562 1.089 8.729 178 H LEU 28 H LEU 28 -2.848 2.107 0.962 179 HA LEU 28 HA LEU 28 -0.191 1.668 -0.133 180 HB2 LEU 28 1HB LEU 28 -1.704 -0.028 -0.699 181 HB3 LEU 28 2HB LEU 28 -2.977 1.123 -1.100 182 HG LEU 28 HG LEU 28 -1.624 1.803 -3.091 183 HD11 LEU 28 1HD1 LEU 28 0.506 1.177 -3.151 184 HD12 LEU 28 2HD1 LEU 28 -0.058 -0.457 -3.497 185 HD13 LEU 28 3HD1 LEU 28 0.275 0.026 -1.834 186 HD21 LEU 28 3HD2 LEU 28 -2.427 0.065 -4.430 187 HD22 LEU 28 1HD2 LEU 28 -3.497 0.056 -3.028 188 HD23 LEU 28 2HD2 LEU 28 -2.208 -1.140 -3.160 189 H THR 29 H THR 29 -3.103 3.459 -1.159 190 HA THR 29 HA THR 29 -2.017 4.886 -3.247 191 HB THR 29 HB THR 29 -4.450 4.851 -2.431 192 HG1 THR 29 HG1 THR 29 -4.737 6.454 -3.811 193 HG21 THR 29 3HG2 THR 29 -5.162 6.623 -0.979 194 HG22 THR 29 1HG2 THR 29 -3.528 7.277 -0.892 195 HG23 THR 29 2HG2 THR 29 -3.894 5.719 -0.151 196 H GLN 30 H GLN 30 -1.820 5.557 0.203 197 HA GLN 30 HA GLN 30 -0.626 8.131 -0.087 198 HB2 GLN 30 1HB GLN 30 -0.932 6.213 2.206 199 HB3 GLN 30 2HB GLN 30 0.030 7.675 2.372 200 HG2 GLN 30 1HG GLN 30 -1.937 9.013 1.744 201 HG3 GLN 30 2HG GLN 30 -2.891 7.532 1.664 202 HE21 GLN 30 1HE2 GLN 30 -2.022 10.082 3.576 203 HE22 GLN 30 2HE2 GLN 30 -2.434 9.428 5.121 204 H HIS 31 H HIS 31 0.619 4.866 0.446 205 HA HIS 31 HA HIS 31 3.319 5.579 0.824 206 HB2 HIS 31 1HB HIS 31 2.927 3.409 1.485 207 HB3 HIS 31 2HB HIS 31 1.863 3.072 0.122 208 HD1 HIS 31 HD1 HIS 31 5.505 3.228 1.044 209 HD2 HIS 31 HD2 HIS 31 3.097 1.990 -2.107 210 HE1 HIS 31 HE1 HIS 31 7.022 1.947 -0.498 211 H GLN 32 H GLN 32 1.505 4.657 -2.081 212 HA GLN 32 HA GLN 32 3.490 4.485 -3.947 213 HB2 GLN 32 1HB GLN 32 0.733 5.683 -4.181 214 HB3 GLN 32 2HB GLN 32 1.789 5.465 -5.570 215 HG2 GLN 32 1HG GLN 32 1.802 3.092 -5.269 216 HG3 GLN 32 2HG GLN 32 0.928 3.236 -3.744 217 HE21 GLN 32 1HE2 GLN 32 -0.309 1.593 -5.175 218 HE22 GLN 32 2HE2 GLN 32 -1.640 2.252 -6.058 219 H ARG 33 H ARG 33 2.315 7.349 -2.353 220 HA ARG 33 HA ARG 33 3.084 9.392 -3.993 221 HB2 ARG 33 1HB ARG 33 3.518 9.262 -1.002 222 HB3 ARG 33 2HB ARG 33 3.473 10.730 -1.969 223 HG2 ARG 33 1HG ARG 33 1.129 8.912 -2.084 224 HG3 ARG 33 2HG ARG 33 1.370 9.880 -0.628 225 HD2 ARG 33 1HD ARG 33 0.060 11.276 -1.918 226 HD3 ARG 33 2HD ARG 33 1.685 11.841 -2.303 227 HE ARG 33 HE ARG 33 1.233 10.011 -4.223 228 HH11 ARG 33 1HH1 ARG 33 -0.629 12.711 -3.055 229 HH12 ARG 33 2HH1 ARG 33 -1.384 13.019 -4.584 230 HH21 ARG 33 1HH2 ARG 33 0.245 10.407 -6.241 231 HH22 ARG 33 2HH2 ARG 33 -0.887 11.707 -6.395 232 H VAL 34 H VAL 34 5.150 7.347 -2.011 233 HA VAL 34 HA VAL 34 7.536 8.736 -2.110 234 HB VAL 34 HB VAL 34 8.681 6.597 -1.852 235 HG11 VAL 34 1HG1 VAL 34 7.621 7.527 0.108 236 HG12 VAL 34 2HG1 VAL 34 6.087 6.770 -0.324 237 HG13 VAL 34 3HG1 VAL 34 7.466 5.771 0.134 238 HG21 VAL 34 3HG2 VAL 34 6.988 4.566 -1.758 239 HG22 VAL 34 1HG2 VAL 34 6.125 5.546 -2.944 240 HG23 VAL 34 2HG2 VAL 34 7.784 5.037 -3.260 241 H HIS 35 H HIS 35 6.053 6.694 -4.567 242 HA HIS 35 HA HIS 35 8.328 7.076 -6.353 243 HB2 HIS 35 1HB HIS 35 5.813 5.623 -7.108 244 HB3 HIS 35 2HB HIS 35 7.460 5.353 -7.669 245 HD1 HIS 35 HD1 HIS 35 9.112 4.324 -5.742 246 HD2 HIS 35 HD2 HIS 35 5.019 3.914 -5.159 247 HE1 HIS 35 HE1 HIS 35 8.856 2.495 -4.034 248 H THR 36 H THR 36 6.452 9.256 -5.534 249 HA THR 36 HA THR 36 4.708 9.951 -7.604 250 HB THR 36 HB THR 36 4.677 11.102 -5.449 251 HG1 THR 36 HG1 THR 36 4.074 12.970 -6.345 252 HG21 THR 36 3HG2 THR 36 7.286 12.337 -6.337 253 HG22 THR 36 1HG2 THR 36 7.090 11.169 -5.031 254 HG23 THR 36 2HG2 THR 36 6.376 12.775 -4.892 255 H GLY 37 H GLY 37 8.176 10.282 -7.317 256 HA2 GLY 37 1HA GLY 37 9.762 11.170 -8.734 257 HA3 GLY 37 2HA GLY 37 8.760 10.440 -9.980 258 H GLU 38 H GLU 38 8.343 13.254 -7.831 259 HA GLU 38 HA GLU 38 6.872 14.848 -9.477 260 HB2 GLU 38 1HB GLU 38 9.030 15.592 -7.510 261 HB3 GLU 38 2HB GLU 38 8.055 16.802 -8.333 262 HG2 GLU 38 1HG GLU 38 6.855 14.580 -6.709 263 HG3 GLU 38 2HG GLU 38 7.309 16.138 -6.019 264 H LYS 39 H LYS 39 7.582 16.887 -10.616 265 HA LYS 39 HA LYS 39 9.429 16.165 -12.696 266 HB2 LYS 39 1HB LYS 39 7.977 18.776 -12.230 267 HB3 LYS 39 2HB LYS 39 8.799 18.302 -13.710 268 HG2 LYS 39 1HG LYS 39 7.160 16.812 -14.308 269 HG3 LYS 39 2HG LYS 39 6.625 16.567 -12.644 270 HD2 LYS 39 1HD LYS 39 6.315 19.277 -13.828 271 HD3 LYS 39 2HD LYS 39 5.218 18.004 -14.371 272 HE2 LYS 39 1HE LYS 39 4.067 18.912 -12.584 273 HE3 LYS 39 2HE LYS 39 4.903 17.553 -11.834 274 HZ1 LYS 39 3HZ LYS 39 6.079 20.263 -11.850 275 HZ2 LYS 39 1HZ LYS 39 6.449 18.958 -10.839 276 HZ3 LYS 39 2HZ LYS 39 4.986 19.786 -10.651 277 HA PRO 40 HA PRO 40 13.073 18.005 -11.048 278 HB2 PRO 40 1HB PRO 40 14.416 18.459 -13.363 279 HB3 PRO 40 2HB PRO 40 14.213 16.845 -12.671 280 HG2 PRO 40 1HG PRO 40 12.680 18.167 -14.877 281 HG3 PRO 40 2HG PRO 40 13.286 16.503 -14.776 282 HD2 PRO 40 1HD PRO 40 10.703 17.146 -14.280 283 HD3 PRO 40 2HD PRO 40 11.530 15.811 -13.452 284 H SER 41 H SER 41 12.787 19.981 -10.171 285 HA SER 41 HA SER 41 11.607 22.213 -11.127 286 HB2 SER 41 1HB SER 41 13.132 23.538 -9.665 287 HB3 SER 41 2HB SER 41 12.472 22.113 -8.862 288 HG SER 41 HG SER 41 15.014 22.196 -10.118 289 H GLY 42 H GLY 42 14.724 20.968 -12.072 290 HA2 GLY 42 1HA GLY 42 15.812 21.449 -14.092 291 HA3 GLY 42 2HA GLY 42 14.788 22.865 -14.281 292 HA PRO 43 HA PRO 43 18.235 24.203 -11.175 293 HB2 PRO 43 1HB PRO 43 20.222 22.417 -10.691 294 HB3 PRO 43 2HB PRO 43 18.743 22.493 -9.726 295 HG2 PRO 43 1HG PRO 43 19.453 20.634 -11.962 296 HG3 PRO 43 2HG PRO 43 18.664 20.274 -10.415 297 HD2 PRO 43 1HD PRO 43 17.282 20.532 -12.729 298 HD3 PRO 43 2HD PRO 43 16.603 20.993 -11.155 299 H SER 44 H SER 44 20.555 24.844 -11.440 300 HA SER 44 HA SER 44 22.067 25.835 -12.846 301 HB2 SER 44 1HB SER 44 22.171 22.985 -13.864 302 HB3 SER 44 2HB SER 44 23.408 24.210 -14.142 303 HG SER 44 HG SER 44 23.995 24.118 -12.064 304 H SER 45 H SER 45 19.518 26.339 -13.738 305 HA SER 45 HA SER 45 19.928 26.387 -16.645 306 HB2 SER 45 1HB SER 45 17.352 25.681 -15.224 307 HB3 SER 45 2HB SER 45 17.463 26.047 -16.945 308 HG SER 45 HG SER 45 17.781 23.722 -15.853 309 H GLY 46 H GLY 46 18.332 27.993 -17.680 310 HA2 GLY 46 1HA GLY 46 18.370 30.426 -16.020 311 HA3 GLY 46 2HA GLY 46 18.408 30.396 -17.777 Start of MODEL 13 1 H1 GLY 1 H GLY 1 9.160 -33.575 0.940 2 HA2 GLY 1 1HA GLY 1 7.638 -33.494 3.448 3 HA3 GLY 1 2HA GLY 1 9.386 -33.328 3.529 4 H SER 2 H SER 2 7.287 -31.432 4.297 5 HA SER 2 HA SER 2 8.264 -29.157 2.734 6 HB2 SER 2 1HB SER 2 5.960 -29.947 1.927 7 HB3 SER 2 2HB SER 2 5.348 -29.368 3.477 8 HG SER 2 HG SER 2 5.199 -27.561 2.380 9 H SER 3 H SER 3 7.576 -27.045 3.828 10 HA SER 3 HA SER 3 7.157 -27.225 6.689 11 HB2 SER 3 1HB SER 3 9.525 -27.517 6.705 12 HB3 SER 3 2HB SER 3 9.758 -26.251 5.500 13 HG SER 3 HG SER 3 8.956 -24.762 7.081 14 H GLY 4 H GLY 4 5.870 -25.610 7.279 15 HA2 GLY 4 1HA GLY 4 6.216 -22.915 6.560 16 HA3 GLY 4 2HA GLY 4 4.998 -23.618 5.505 17 H SER 5 H SER 5 3.045 -24.406 6.424 18 HA SER 5 HA SER 5 1.188 -24.012 7.704 19 HB2 SER 5 1HB SER 5 3.283 -24.875 9.690 20 HB3 SER 5 2HB SER 5 1.620 -24.563 10.186 21 HG SER 5 HG SER 5 2.654 -26.601 8.580 22 H SER 6 H SER 6 2.439 -21.631 7.012 23 HA SER 6 HA SER 6 2.305 -20.011 9.461 24 HB2 SER 6 1HB SER 6 3.498 -18.283 8.212 25 HB3 SER 6 2HB SER 6 4.379 -19.808 8.124 26 HG SER 6 HG SER 6 2.885 -19.945 6.076 27 H GLY 7 H GLY 7 -0.106 -20.935 8.436 28 HA2 GLY 7 1HA GLY 7 -2.211 -20.107 8.018 29 HA3 GLY 7 2HA GLY 7 -1.528 -18.492 8.125 30 H THR 8 H THR 8 -3.244 -18.283 6.371 31 HA THR 8 HA THR 8 -1.876 -18.286 3.822 32 HB THR 8 HB THR 8 -3.654 -19.452 2.600 33 HG1 THR 8 HG1 THR 8 -5.109 -20.752 4.036 34 HG21 THR 8 3HG2 THR 8 -1.742 -20.771 3.253 35 HG22 THR 8 1HG2 THR 8 -3.196 -21.752 3.427 36 HG23 THR 8 2HG2 THR 8 -2.431 -21.048 4.852 37 H GLY 9 H GLY 9 -2.133 -16.214 3.282 38 HA2 GLY 9 1HA GLY 9 -4.680 -15.157 2.639 39 HA3 GLY 9 2HA GLY 9 -4.136 -14.497 4.175 40 H GLU 10 H GLU 10 -4.610 -12.948 1.871 41 HA GLU 10 HA GLU 10 -1.989 -11.727 1.590 42 HB2 GLU 10 1HB GLU 10 -2.336 -13.403 -0.311 43 HB3 GLU 10 2HB GLU 10 -3.589 -12.317 -0.894 44 HG2 GLU 10 1HG GLU 10 -1.824 -11.572 -2.115 45 HG3 GLU 10 2HG GLU 10 -1.672 -10.530 -0.701 46 H LYS 11 H LYS 11 -2.063 -9.537 1.228 47 HA LYS 11 HA LYS 11 -4.410 -8.169 1.966 48 HB2 LYS 11 1HB LYS 11 -1.853 -7.196 0.686 49 HB3 LYS 11 2HB LYS 11 -3.132 -6.120 1.236 50 HG2 LYS 11 1HG LYS 11 -2.710 -6.526 3.454 51 HG3 LYS 11 2HG LYS 11 -1.994 -8.109 3.140 52 HD2 LYS 11 1HD LYS 11 -0.205 -6.625 1.860 53 HD3 LYS 11 2HD LYS 11 -0.775 -5.401 2.997 54 HE2 LYS 11 1HE LYS 11 0.064 -8.144 3.890 55 HE3 LYS 11 2HE LYS 11 1.223 -6.830 3.701 56 HZ1 LYS 11 3HZ LYS 11 0.283 -7.140 5.991 57 HZ2 LYS 11 1HZ LYS 11 -1.201 -6.597 5.387 58 HZ3 LYS 11 2HZ LYS 11 0.146 -5.576 5.360 59 HA PRO 12 HA PRO 12 -6.613 -7.827 -1.829 60 HB2 PRO 12 1HB PRO 12 -8.046 -5.582 -1.304 61 HB3 PRO 12 2HB PRO 12 -8.401 -7.145 -0.558 62 HG2 PRO 12 1HG PRO 12 -6.889 -4.814 0.556 63 HG3 PRO 12 2HG PRO 12 -8.094 -5.847 1.347 64 HD2 PRO 12 1HD PRO 12 -5.431 -6.163 1.726 65 HD3 PRO 12 2HD PRO 12 -6.569 -7.525 1.760 66 H PHE 13 H PHE 13 -4.520 -5.321 -0.677 67 HA PHE 13 HA PHE 13 -4.434 -4.158 -3.383 68 HB2 PHE 13 1HB PHE 13 -3.562 -2.673 -0.918 69 HB3 PHE 13 2HB PHE 13 -4.018 -2.026 -2.490 70 HD1 PHE 13 HD1 PHE 13 -6.488 -2.407 -3.203 71 HD2 PHE 13 HD2 PHE 13 -5.089 -2.651 0.809 72 HE1 PHE 13 HE1 PHE 13 -8.777 -2.030 -2.386 73 HE2 PHE 13 HE2 PHE 13 -7.376 -2.275 1.633 74 HZ PHE 13 HZ PHE 13 -9.224 -1.965 0.035 75 H LYS 14 H LYS 14 -2.341 -3.343 -4.077 76 HA LYS 14 HA LYS 14 0.018 -4.189 -2.650 77 HB2 LYS 14 1HB LYS 14 -0.849 -6.233 -3.908 78 HB3 LYS 14 2HB LYS 14 -0.441 -5.371 -5.385 79 HG2 LYS 14 1HG LYS 14 1.897 -5.133 -4.184 80 HG3 LYS 14 2HG LYS 14 1.334 -6.574 -3.334 81 HD2 LYS 14 1HD LYS 14 2.350 -7.567 -5.121 82 HD3 LYS 14 2HD LYS 14 0.735 -7.342 -5.799 83 HE2 LYS 14 1HE LYS 14 1.553 -5.155 -6.735 84 HE3 LYS 14 2HE LYS 14 3.176 -5.632 -6.238 85 HZ1 LYS 14 3HZ LYS 14 2.544 -7.773 -7.590 86 HZ2 LYS 14 1HZ LYS 14 3.160 -6.400 -8.364 87 HZ3 LYS 14 2HZ LYS 14 1.496 -6.706 -8.381 88 H CYS 15 H CYS 15 1.827 -3.077 -3.267 89 HA CYS 15 HA CYS 15 1.412 -0.778 -4.942 90 HB2 CYS 15 1HB CYS 15 2.739 -0.457 -2.979 91 HB3 CYS 15 2HB CYS 15 3.801 -1.796 -3.402 92 H GLY 16 H GLY 16 1.527 -0.886 -7.083 93 HA2 GLY 16 1HA GLY 16 3.061 -2.988 -8.376 94 HA3 GLY 16 2HA GLY 16 1.993 -1.837 -9.165 95 H GLU 17 H GLU 17 4.667 -1.101 -6.976 96 HA GLU 17 HA GLU 17 6.150 0.034 -9.248 97 HB2 GLU 17 1HB GLU 17 5.756 1.367 -6.562 98 HB3 GLU 17 2HB GLU 17 6.748 1.981 -7.878 99 HG2 GLU 17 1HG GLU 17 3.841 1.443 -8.303 100 HG3 GLU 17 2HG GLU 17 4.374 2.931 -7.522 101 H CYS 18 H CYS 18 6.335 -0.848 -5.806 102 HA CYS 18 HA CYS 18 9.108 -1.729 -6.278 103 HB2 CYS 18 1HB CYS 18 9.619 -1.191 -3.969 104 HB3 CYS 18 2HB CYS 18 8.940 0.227 -4.761 105 H GLY 19 H GLY 19 6.101 -2.368 -4.524 106 HA2 GLY 19 1HA GLY 19 5.429 -4.791 -4.712 107 HA3 GLY 19 2HA GLY 19 7.038 -5.137 -4.096 108 H LYS 20 H LYS 20 5.586 -2.353 -2.777 109 HA LYS 20 HA LYS 20 5.368 -3.651 -0.197 110 HB2 LYS 20 1HB LYS 20 5.293 -0.825 -1.175 111 HB3 LYS 20 2HB LYS 20 4.617 -1.197 0.406 112 HG2 LYS 20 1HG LYS 20 6.943 -2.421 0.707 113 HG3 LYS 20 2HG LYS 20 7.434 -1.249 -0.518 114 HD2 LYS 20 1HD LYS 20 6.376 0.522 0.960 115 HD3 LYS 20 2HD LYS 20 6.283 -0.718 2.212 116 HE2 LYS 20 1HE LYS 20 8.650 -0.961 2.258 117 HE3 LYS 20 2HE LYS 20 8.841 0.021 0.806 118 HZ1 LYS 20 3HZ LYS 20 8.149 0.889 3.540 119 HZ2 LYS 20 1HZ LYS 20 7.760 1.852 2.205 120 HZ3 LYS 20 2HZ LYS 20 9.374 1.460 2.523 121 H SER 21 H SER 21 3.579 -4.810 0.145 122 HA SER 21 HA SER 21 1.025 -3.924 -0.943 123 HB2 SER 21 1HB SER 21 1.437 -6.383 0.746 124 HB3 SER 21 2HB SER 21 0.210 -6.085 -0.485 125 HG SER 21 HG SER 21 2.816 -6.959 -0.753 126 H TYR 22 H TYR 22 -0.880 -3.779 0.397 127 HA TYR 22 HA TYR 22 -0.426 -3.370 3.253 128 HB2 TYR 22 1HB TYR 22 -1.489 -1.260 1.373 129 HB3 TYR 22 2HB TYR 22 -1.715 -1.194 3.117 130 HD1 TYR 22 HD2 TYR 22 0.800 -1.099 0.417 131 HD2 TYR 22 HD1 TYR 22 0.051 -0.514 4.564 132 HE1 TYR 22 HE2 TYR 22 2.992 -0.010 0.653 133 HE2 TYR 22 HE1 TYR 22 2.241 0.578 4.812 134 HH TYR 22 HH TYR 22 3.936 1.842 2.502 135 H ASN 23 H ASN 23 -2.253 -3.631 4.528 136 HA ASN 23 HA ASN 23 -4.298 -5.279 3.442 137 HB2 ASN 23 1HB ASN 23 -4.551 -3.925 6.108 138 HB3 ASN 23 2HB ASN 23 -5.052 -5.545 5.633 139 HD21 ASN 23 1HD2 ASN 23 -2.267 -3.520 6.326 140 HD22 ASN 23 2HD2 ASN 23 -1.215 -4.808 6.794 141 H GLN 24 H GLN 24 -4.045 -1.873 4.186 142 HA GLN 24 HA GLN 24 -6.856 -1.497 3.405 143 HB2 GLN 24 1HB GLN 24 -4.979 0.153 5.078 144 HB3 GLN 24 2HB GLN 24 -6.436 0.851 4.383 145 HG2 GLN 24 1HG GLN 24 -7.544 -1.265 5.526 146 HG3 GLN 24 2HG GLN 24 -6.129 -1.124 6.568 147 HE21 GLN 24 1HE2 GLN 24 -9.107 -0.601 6.877 148 HE22 GLN 24 2HE2 GLN 24 -9.179 0.967 7.599 149 H ARG 25 H ARG 25 -7.377 0.290 2.001 150 HA ARG 25 HA ARG 25 -5.450 0.552 -0.140 151 HB2 ARG 25 1HB ARG 25 -7.297 1.763 -1.297 152 HB3 ARG 25 2HB ARG 25 -7.736 0.145 -0.766 153 HG2 ARG 25 1HG ARG 25 -9.014 0.995 1.045 154 HG3 ARG 25 2HG ARG 25 -8.390 2.627 0.799 155 HD2 ARG 25 1HD ARG 25 -10.686 2.337 -0.060 156 HD3 ARG 25 2HD ARG 25 -9.536 2.791 -1.317 157 HE ARG 25 HE ARG 25 -9.552 0.128 -1.537 158 HH11 ARG 25 1HH1 ARG 25 -12.149 2.433 -1.287 159 HH12 ARG 25 2HH1 ARG 25 -13.258 1.481 -2.217 160 HH21 ARG 25 1HH2 ARG 25 -11.003 -1.135 -2.763 161 HH22 ARG 25 2HH2 ARG 25 -12.605 -0.549 -3.056 162 H VAL 26 H VAL 26 -6.989 2.619 2.267 163 HA VAL 26 HA VAL 26 -5.991 5.080 1.297 164 HB VAL 26 HB VAL 26 -7.845 5.076 2.834 165 HG11 VAL 26 1HG1 VAL 26 -7.951 3.759 4.620 166 HG12 VAL 26 2HG1 VAL 26 -6.352 3.137 4.204 167 HG13 VAL 26 3HG1 VAL 26 -6.508 4.504 5.308 168 HG21 VAL 26 3HG2 VAL 26 -6.019 6.916 2.857 169 HG22 VAL 26 1HG2 VAL 26 -7.236 6.898 4.133 170 HG23 VAL 26 2HG2 VAL 26 -5.620 6.265 4.447 171 H HIS 27 H HIS 27 -4.431 2.478 2.766 172 HA HIS 27 HA HIS 27 -2.311 4.110 3.934 173 HB2 HIS 27 1HB HIS 27 -2.800 1.128 3.930 174 HB3 HIS 27 2HB HIS 27 -1.385 1.885 4.656 175 HD1 HIS 27 HD1 HIS 27 -3.303 0.253 6.392 176 HD2 HIS 27 HD2 HIS 27 -3.611 4.359 5.838 177 HE1 HIS 27 HE1 HIS 27 -4.580 1.106 8.383 178 H LEU 28 H LEU 28 -3.004 2.222 1.124 179 HA LEU 28 HA LEU 28 -0.262 1.881 0.324 180 HB2 LEU 28 1HB LEU 28 -1.971 0.278 -0.342 181 HB3 LEU 28 2HB LEU 28 -2.833 1.542 -1.216 182 HG LEU 28 HG LEU 28 -0.820 1.741 -2.709 183 HD11 LEU 28 1HD1 LEU 28 0.789 -0.047 -2.741 184 HD12 LEU 28 2HD1 LEU 28 -0.029 -0.859 -1.407 185 HD13 LEU 28 3HD1 LEU 28 0.774 0.688 -1.138 186 HD21 LEU 28 3HD2 LEU 28 -2.406 0.624 -3.859 187 HD22 LEU 28 1HD2 LEU 28 -2.704 -0.520 -2.550 188 HD23 LEU 28 2HD2 LEU 28 -1.320 -0.746 -3.620 189 H THR 29 H THR 29 -2.989 3.817 -0.912 190 HA THR 29 HA THR 29 -1.712 5.207 -2.907 191 HB THR 29 HB THR 29 -4.174 5.332 -2.209 192 HG1 THR 29 HG1 THR 29 -2.561 7.384 -3.218 193 HG21 THR 29 3HG2 THR 29 -3.948 6.050 0.068 194 HG22 THR 29 1HG2 THR 29 -4.715 7.354 -0.837 195 HG23 THR 29 2HG2 THR 29 -3.006 7.459 -0.416 196 H GLN 30 H GLN 30 -1.635 5.819 0.561 197 HA GLN 30 HA GLN 30 -0.295 8.314 0.413 198 HB2 GLN 30 1HB GLN 30 -0.693 6.289 2.598 199 HB3 GLN 30 2HB GLN 30 0.325 7.701 2.848 200 HG2 GLN 30 1HG GLN 30 -2.597 7.705 2.130 201 HG3 GLN 30 2HG GLN 30 -1.895 8.107 3.696 202 HE21 GLN 30 1HE2 GLN 30 -0.841 10.067 3.964 203 HE22 GLN 30 2HE2 GLN 30 -1.001 11.364 2.834 204 H HIS 31 H HIS 31 0.778 4.985 0.470 205 HA HIS 31 HA HIS 31 3.530 5.584 0.974 206 HB2 HIS 31 1HB HIS 31 3.046 3.411 1.580 207 HB3 HIS 31 2HB HIS 31 1.977 3.152 0.205 208 HD1 HIS 31 HD1 HIS 31 5.693 3.508 0.911 209 HD2 HIS 31 HD2 HIS 31 3.107 1.748 -1.824 210 HE1 HIS 31 HE1 HIS 31 7.153 2.136 -0.609 211 H GLN 32 H GLN 32 1.643 4.788 -1.925 212 HA GLN 32 HA GLN 32 3.635 4.652 -3.810 213 HB2 GLN 32 1HB GLN 32 0.883 5.870 -4.080 214 HB3 GLN 32 2HB GLN 32 1.933 5.488 -5.438 215 HG2 GLN 32 1HG GLN 32 1.780 3.176 -5.043 216 HG3 GLN 32 2HG GLN 32 1.084 3.418 -3.441 217 HE21 GLN 32 1HE2 GLN 32 -0.199 1.728 -5.020 218 HE22 GLN 32 2HE2 GLN 32 -1.657 2.416 -5.642 219 H ARG 33 H ARG 33 2.463 7.441 -2.117 220 HA ARG 33 HA ARG 33 3.097 9.553 -3.721 221 HB2 ARG 33 1HB ARG 33 3.326 9.137 -0.764 222 HB3 ARG 33 2HB ARG 33 3.914 10.635 -1.474 223 HG2 ARG 33 1HG ARG 33 1.548 10.677 -2.593 224 HG3 ARG 33 2HG ARG 33 1.132 9.602 -1.257 225 HD2 ARG 33 1HD ARG 33 1.603 11.219 0.351 226 HD3 ARG 33 2HD ARG 33 2.585 12.173 -0.760 227 HE ARG 33 HE ARG 33 -0.170 11.998 -1.541 228 HH11 ARG 33 1HH1 ARG 33 2.125 13.697 0.450 229 HH12 ARG 33 2HH1 ARG 33 1.187 15.152 0.517 230 HH21 ARG 33 1HH2 ARG 33 -1.415 13.908 -1.460 231 HH22 ARG 33 2HH2 ARG 33 -0.827 15.271 -0.569 232 H VAL 34 H VAL 34 5.271 7.267 -2.320 233 HA VAL 34 HA VAL 34 7.645 8.834 -2.498 234 HB VAL 34 HB VAL 34 8.854 6.852 -2.015 235 HG11 VAL 34 1HG1 VAL 34 6.562 5.928 -0.503 236 HG12 VAL 34 2HG1 VAL 34 8.059 6.677 0.059 237 HG13 VAL 34 3HG1 VAL 34 6.710 7.685 -0.467 238 HG21 VAL 34 3HG2 VAL 34 7.678 4.606 -2.071 239 HG22 VAL 34 1HG2 VAL 34 6.420 5.399 -3.019 240 HG23 VAL 34 2HG2 VAL 34 8.071 5.321 -3.634 241 H HIS 35 H HIS 35 6.059 6.501 -4.627 242 HA HIS 35 HA HIS 35 8.152 6.715 -6.619 243 HB2 HIS 35 1HB HIS 35 5.480 5.379 -7.007 244 HB3 HIS 35 2HB HIS 35 7.007 5.025 -7.810 245 HD1 HIS 35 HD1 HIS 35 8.927 4.102 -6.013 246 HD2 HIS 35 HD2 HIS 35 4.919 3.645 -5.017 247 HE1 HIS 35 HE1 HIS 35 8.872 2.307 -4.252 248 H THR 36 H THR 36 4.927 7.955 -6.051 249 HA THR 36 HA THR 36 4.138 8.867 -8.498 250 HB THR 36 HB THR 36 3.002 10.738 -7.349 251 HG1 THR 36 HG1 THR 36 4.838 10.052 -5.356 252 HG21 THR 36 3HG2 THR 36 1.762 9.320 -5.660 253 HG22 THR 36 1HG2 THR 36 2.903 8.029 -6.034 254 HG23 THR 36 2HG2 THR 36 1.846 8.665 -7.295 255 H GLY 37 H GLY 37 4.282 10.949 -9.553 256 HA2 GLY 37 1HA GLY 37 5.338 12.986 -10.058 257 HA3 GLY 37 2HA GLY 37 6.554 12.633 -8.839 258 H GLU 38 H GLU 38 5.397 11.420 -11.983 259 HA GLU 38 HA GLU 38 7.632 9.961 -12.706 260 HB2 GLU 38 1HB GLU 38 5.323 10.320 -13.898 261 HB3 GLU 38 2HB GLU 38 6.186 11.583 -14.765 262 HG2 GLU 38 1HG GLU 38 6.459 9.799 -16.171 263 HG3 GLU 38 2HG GLU 38 7.933 9.709 -15.209 264 H LYS 39 H LYS 39 9.560 10.399 -13.699 265 HA LYS 39 HA LYS 39 10.750 12.913 -13.221 266 HB2 LYS 39 1HB LYS 39 11.563 10.391 -14.576 267 HB3 LYS 39 2HB LYS 39 12.493 11.840 -14.935 268 HG2 LYS 39 1HG LYS 39 11.969 10.861 -12.140 269 HG3 LYS 39 2HG LYS 39 13.392 10.413 -13.085 270 HD2 LYS 39 1HD LYS 39 13.864 12.871 -13.342 271 HD3 LYS 39 2HD LYS 39 12.580 13.167 -12.168 272 HE2 LYS 39 1HE LYS 39 13.759 12.082 -10.447 273 HE3 LYS 39 2HE LYS 39 14.876 11.322 -11.579 274 HZ1 LYS 39 3HZ LYS 39 16.231 13.045 -11.386 275 HZ2 LYS 39 1HZ LYS 39 15.207 13.721 -10.222 276 HZ3 LYS 39 2HZ LYS 39 15.014 14.123 -11.853 277 HA PRO 40 HA PRO 40 9.592 15.223 -16.784 278 HB2 PRO 40 1HB PRO 40 11.651 16.992 -16.843 279 HB3 PRO 40 2HB PRO 40 10.350 17.071 -15.649 280 HG2 PRO 40 1HG PRO 40 13.107 15.936 -15.376 281 HG3 PRO 40 2HG PRO 40 12.192 16.939 -14.235 282 HD2 PRO 40 1HD PRO 40 12.406 14.253 -13.966 283 HD3 PRO 40 2HD PRO 40 10.963 15.152 -13.454 284 H SER 41 H SER 41 12.945 14.088 -16.562 285 HA SER 41 HA SER 41 12.893 12.999 -19.188 286 HB2 SER 41 1HB SER 41 14.333 14.453 -20.362 287 HB3 SER 41 2HB SER 41 13.189 15.529 -19.560 288 HG SER 41 HG SER 41 15.141 16.381 -19.104 289 H GLY 42 H GLY 42 14.951 11.975 -19.774 290 HA2 GLY 42 1HA GLY 42 17.273 11.527 -19.002 291 HA3 GLY 42 2HA GLY 42 16.602 11.444 -17.380 292 HA PRO 43 HA PRO 43 14.987 7.513 -19.693 293 HB2 PRO 43 1HB PRO 43 16.052 7.022 -22.142 294 HB3 PRO 43 2HB PRO 43 14.580 7.972 -21.907 295 HG2 PRO 43 1HG PRO 43 17.386 8.908 -22.365 296 HG3 PRO 43 2HG PRO 43 15.876 9.512 -23.071 297 HD2 PRO 43 1HD PRO 43 17.121 10.754 -21.012 298 HD3 PRO 43 2HD PRO 43 15.356 10.761 -21.205 299 H SER 44 H SER 44 18.325 8.465 -20.412 300 HA SER 44 HA SER 44 19.217 5.901 -19.267 301 HB2 SER 44 1HB SER 44 19.690 5.699 -21.584 302 HB3 SER 44 2HB SER 44 20.267 7.362 -21.690 303 HG SER 44 HG SER 44 21.935 5.705 -21.616 304 H SER 45 H SER 45 19.419 6.961 -17.239 305 HA SER 45 HA SER 45 20.999 9.286 -16.863 306 HB2 SER 45 1HB SER 45 19.229 8.200 -15.289 307 HB3 SER 45 2HB SER 45 20.584 7.231 -14.710 308 HG SER 45 HG SER 45 21.576 9.038 -13.976 309 H GLY 46 H GLY 46 23.083 9.319 -17.434 310 HA2 GLY 46 1HA GLY 46 24.822 7.203 -17.722 311 HA3 GLY 46 2HA GLY 46 25.332 8.847 -17.362 Start of MODEL 14 1 H1 GLY 1 H GLY 1 9.975 -23.027 -5.586 2 HA2 GLY 1 1HA GLY 1 9.074 -22.312 -3.475 3 HA3 GLY 1 2HA GLY 1 8.300 -23.882 -3.319 4 H SER 2 H SER 2 9.886 -22.658 -1.321 5 HA SER 2 HA SER 2 12.422 -24.105 -1.370 6 HB2 SER 2 1HB SER 2 12.038 -21.634 -0.566 7 HB3 SER 2 2HB SER 2 11.534 -22.408 0.936 8 HG SER 2 HG SER 2 14.024 -22.773 -0.380 9 H SER 3 H SER 3 10.200 -25.760 -1.266 10 HA SER 3 HA SER 3 9.248 -27.475 -0.107 11 HB2 SER 3 1HB SER 3 11.899 -27.214 1.317 12 HB3 SER 3 2HB SER 3 10.759 -28.517 1.654 13 HG SER 3 HG SER 3 12.053 -29.329 0.106 14 H GLY 4 H GLY 4 8.308 -24.975 0.656 15 HA2 GLY 4 1HA GLY 4 7.209 -25.595 3.227 16 HA3 GLY 4 2HA GLY 4 8.351 -24.261 3.307 17 H SER 5 H SER 5 5.168 -24.986 3.038 18 HA SER 5 HA SER 5 4.505 -22.719 1.311 19 HB2 SER 5 1HB SER 5 2.170 -23.566 1.499 20 HB3 SER 5 2HB SER 5 3.285 -24.770 0.853 21 HG SER 5 HG SER 5 2.475 -24.598 3.569 22 H SER 6 H SER 6 4.257 -20.796 2.212 23 HA SER 6 HA SER 6 2.910 -20.601 4.808 24 HB2 SER 6 1HB SER 6 5.483 -19.168 4.102 25 HB3 SER 6 2HB SER 6 4.535 -18.901 5.566 26 HG SER 6 HG SER 6 6.381 -20.772 5.093 27 H GLY 7 H GLY 7 1.274 -19.214 4.712 28 HA2 GLY 7 1HA GLY 7 1.427 -16.660 3.501 29 HA3 GLY 7 2HA GLY 7 0.577 -17.769 2.435 30 H THR 8 H THR 8 0.578 -16.460 5.726 31 HA THR 8 HA THR 8 -1.759 -17.402 6.742 32 HB THR 8 HB THR 8 -0.792 -14.543 6.939 33 HG1 THR 8 HG1 THR 8 0.073 -15.409 8.967 34 HG21 THR 8 3HG2 THR 8 -2.859 -16.100 8.465 35 HG22 THR 8 1HG2 THR 8 -2.994 -14.499 7.740 36 HG23 THR 8 2HG2 THR 8 -2.018 -14.730 9.191 37 H GLY 9 H GLY 9 -1.470 -14.513 4.667 38 HA2 GLY 9 1HA GLY 9 -3.840 -15.050 3.235 39 HA3 GLY 9 2HA GLY 9 -4.197 -13.911 4.525 40 H GLU 10 H GLU 10 -4.013 -13.773 1.469 41 HA GLU 10 HA GLU 10 -1.895 -11.887 0.987 42 HB2 GLU 10 1HB GLU 10 -3.120 -13.564 -0.655 43 HB3 GLU 10 2HB GLU 10 -4.198 -12.195 -0.886 44 HG2 GLU 10 1HG GLU 10 -2.311 -10.809 -1.559 45 HG3 GLU 10 2HG GLU 10 -1.219 -12.171 -1.313 46 H LYS 11 H LYS 11 -2.353 -9.722 0.051 47 HA LYS 11 HA LYS 11 -4.475 -8.411 1.601 48 HB2 LYS 11 1HB LYS 11 -1.970 -7.285 0.337 49 HB3 LYS 11 2HB LYS 11 -3.174 -6.327 1.189 50 HG2 LYS 11 1HG LYS 11 -1.575 -6.652 2.810 51 HG3 LYS 11 2HG LYS 11 -2.714 -7.956 3.153 52 HD2 LYS 11 1HD LYS 11 -1.317 -9.570 2.129 53 HD3 LYS 11 2HD LYS 11 -0.298 -8.329 1.397 54 HE2 LYS 11 1HE LYS 11 0.871 -9.270 3.268 55 HE3 LYS 11 2HE LYS 11 0.385 -7.627 3.681 56 HZ1 LYS 11 3HZ LYS 11 -1.467 -9.751 4.411 57 HZ2 LYS 11 1HZ LYS 11 -1.043 -8.347 5.253 58 HZ3 LYS 11 2HZ LYS 11 -0.017 -9.691 5.281 59 HA PRO 12 HA PRO 12 -6.773 -7.514 -2.044 60 HB2 PRO 12 1HB PRO 12 -8.136 -5.333 -1.176 61 HB3 PRO 12 2HB PRO 12 -8.509 -6.975 -0.639 62 HG2 PRO 12 1HG PRO 12 -6.909 -4.850 0.735 63 HG3 PRO 12 2HG PRO 12 -8.117 -5.956 1.415 64 HD2 PRO 12 1HD PRO 12 -5.454 -6.376 1.665 65 HD3 PRO 12 2HD PRO 12 -6.623 -7.707 1.549 66 H PHE 13 H PHE 13 -4.357 -5.494 -0.805 67 HA PHE 13 HA PHE 13 -4.315 -3.968 -3.310 68 HB2 PHE 13 1HB PHE 13 -3.610 -2.652 -0.698 69 HB3 PHE 13 2HB PHE 13 -3.974 -1.898 -2.247 70 HD1 PHE 13 HD1 PHE 13 -6.428 -2.552 -3.146 71 HD2 PHE 13 HD2 PHE 13 -5.203 -2.466 0.929 72 HE1 PHE 13 HE1 PHE 13 -8.770 -2.257 -2.452 73 HE2 PHE 13 HE2 PHE 13 -7.542 -2.171 1.630 74 HZ PHE 13 HZ PHE 13 -9.330 -2.067 -0.061 75 H LYS 14 H LYS 14 -2.312 -3.607 -4.159 76 HA LYS 14 HA LYS 14 0.068 -4.130 -2.583 77 HB2 LYS 14 1HB LYS 14 -0.614 -6.362 -3.414 78 HB3 LYS 14 2HB LYS 14 -0.539 -5.753 -5.062 79 HG2 LYS 14 1HG LYS 14 1.837 -5.380 -4.859 80 HG3 LYS 14 2HG LYS 14 1.795 -5.864 -3.162 81 HD2 LYS 14 1HD LYS 14 0.895 -8.094 -3.962 82 HD3 LYS 14 2HD LYS 14 1.317 -7.572 -5.595 83 HE2 LYS 14 1HE LYS 14 3.122 -8.893 -4.758 84 HE3 LYS 14 2HE LYS 14 3.654 -7.212 -4.793 85 HZ1 LYS 14 3HZ LYS 14 3.517 -8.977 -2.595 86 HZ2 LYS 14 1HZ LYS 14 2.524 -7.639 -2.298 87 HZ3 LYS 14 2HZ LYS 14 4.161 -7.414 -2.661 88 H CYS 15 H CYS 15 1.645 -2.778 -3.156 89 HA CYS 15 HA CYS 15 1.257 -0.912 -5.272 90 HB2 CYS 15 1HB CYS 15 2.410 -0.166 -3.311 91 HB3 CYS 15 2HB CYS 15 3.596 -1.460 -3.443 92 H GLY 16 H GLY 16 1.366 -1.617 -7.321 93 HA2 GLY 16 1HA GLY 16 3.218 -3.678 -8.126 94 HA3 GLY 16 2HA GLY 16 2.096 -2.815 -9.167 95 H GLU 17 H GLU 17 4.642 -1.523 -7.064 96 HA GLU 17 HA GLU 17 6.060 -0.591 -9.467 97 HB2 GLU 17 1HB GLU 17 5.567 1.043 -6.971 98 HB3 GLU 17 2HB GLU 17 6.501 1.554 -8.371 99 HG2 GLU 17 1HG GLU 17 4.403 1.261 -9.732 100 HG3 GLU 17 2HG GLU 17 3.543 1.064 -8.207 101 H CYS 18 H CYS 18 6.262 -1.101 -5.958 102 HA CYS 18 HA CYS 18 9.113 -1.765 -6.309 103 HB2 CYS 18 1HB CYS 18 9.510 -0.985 -4.036 104 HB3 CYS 18 2HB CYS 18 8.771 0.296 -4.990 105 H GLY 19 H GLY 19 6.130 -2.511 -4.559 106 HA2 GLY 19 1HA GLY 19 5.608 -4.940 -4.459 107 HA3 GLY 19 2HA GLY 19 7.273 -5.168 -3.946 108 H LYS 20 H LYS 20 5.117 -2.600 -2.866 109 HA LYS 20 HA LYS 20 5.228 -3.762 -0.160 110 HB2 LYS 20 1HB LYS 20 5.267 -0.901 -1.095 111 HB3 LYS 20 2HB LYS 20 4.825 -1.323 0.554 112 HG2 LYS 20 1HG LYS 20 7.086 -2.635 0.509 113 HG3 LYS 20 2HG LYS 20 7.461 -1.528 -0.814 114 HD2 LYS 20 1HD LYS 20 8.249 -0.332 0.983 115 HD3 LYS 20 2HD LYS 20 6.598 0.285 0.877 116 HE2 LYS 20 1HE LYS 20 6.962 -0.187 3.158 117 HE3 LYS 20 2HE LYS 20 5.968 -1.509 2.549 118 HZ1 LYS 20 3HZ LYS 20 7.666 -2.458 3.867 119 HZ2 LYS 20 1HZ LYS 20 8.878 -1.552 3.110 120 HZ3 LYS 20 2HZ LYS 20 8.084 -2.779 2.259 121 H SER 21 H SER 21 3.342 -4.693 0.293 122 HA SER 21 HA SER 21 0.869 -3.592 -0.795 123 HB2 SER 21 1HB SER 21 0.715 -5.868 -1.054 124 HB3 SER 21 2HB SER 21 1.694 -6.205 0.373 125 HG SER 21 HG SER 21 -1.040 -5.512 0.228 126 H TYR 22 H TYR 22 -1.064 -3.650 0.742 127 HA TYR 22 HA TYR 22 -0.460 -3.060 3.511 128 HB2 TYR 22 1HB TYR 22 -1.621 -0.950 1.681 129 HB3 TYR 22 2HB TYR 22 -1.559 -0.832 3.436 130 HD1 TYR 22 HD2 TYR 22 0.520 -0.997 0.379 131 HD2 TYR 22 HD1 TYR 22 0.416 -0.134 4.544 132 HE1 TYR 22 HE2 TYR 22 2.769 -0.013 0.225 133 HE2 TYR 22 HE1 TYR 22 2.664 0.853 4.401 134 HH TYR 22 HH TYR 22 4.761 0.391 2.517 135 H ASN 23 H ASN 23 -2.013 -3.916 4.715 136 HA ASN 23 HA ASN 23 -4.179 -5.310 3.849 137 HB2 ASN 23 1HB ASN 23 -3.828 -3.781 6.430 138 HB3 ASN 23 2HB ASN 23 -5.178 -4.874 6.140 139 HD21 ASN 23 1HD2 ASN 23 -4.807 -7.083 6.013 140 HD22 ASN 23 2HD2 ASN 23 -3.339 -7.801 6.573 141 H GLN 24 H GLN 24 -4.031 -1.852 4.515 142 HA GLN 24 HA GLN 24 -6.816 -1.573 3.627 143 HB2 GLN 24 1HB GLN 24 -5.017 0.069 5.353 144 HB3 GLN 24 2HB GLN 24 -6.294 0.884 4.459 145 HG2 GLN 24 1HG GLN 24 -7.849 -0.886 5.493 146 HG3 GLN 24 2HG GLN 24 -6.525 -1.167 6.622 147 HE21 GLN 24 1HE2 GLN 24 -9.327 0.422 6.259 148 HE22 GLN 24 2HE2 GLN 24 -9.062 1.764 7.313 149 H ARG 25 H ARG 25 -7.294 0.365 2.272 150 HA ARG 25 HA ARG 25 -5.493 0.401 0.016 151 HB2 ARG 25 1HB ARG 25 -7.868 0.272 -0.419 152 HB3 ARG 25 2HB ARG 25 -8.156 1.744 0.500 153 HG2 ARG 25 1HG ARG 25 -6.917 3.034 -1.152 154 HG3 ARG 25 2HG ARG 25 -6.591 1.560 -2.066 155 HD2 ARG 25 1HD ARG 25 -8.911 1.264 -2.551 156 HD3 ARG 25 2HD ARG 25 -9.363 2.558 -1.443 157 HE ARG 25 HE ARG 25 -7.634 3.535 -3.460 158 HH11 ARG 25 1HH1 ARG 25 -10.913 2.500 -2.918 159 HH12 ARG 25 2HH1 ARG 25 -11.572 3.487 -4.180 160 HH21 ARG 25 1HH2 ARG 25 -8.489 4.839 -5.125 161 HH22 ARG 25 2HH2 ARG 25 -10.192 4.816 -5.436 162 H VAL 26 H VAL 26 -6.757 2.757 2.350 163 HA VAL 26 HA VAL 26 -5.611 5.071 1.377 164 HB VAL 26 HB VAL 26 -7.164 5.019 3.287 165 HG11 VAL 26 1HG1 VAL 26 -6.390 4.456 5.514 166 HG12 VAL 26 2HG1 VAL 26 -6.181 3.074 4.436 167 HG13 VAL 26 3HG1 VAL 26 -4.791 4.063 4.885 168 HG21 VAL 26 3HG2 VAL 26 -4.645 6.531 3.244 169 HG22 VAL 26 1HG2 VAL 26 -6.312 7.100 3.336 170 HG23 VAL 26 2HG2 VAL 26 -5.491 6.536 4.792 171 H HIS 27 H HIS 27 -4.115 2.435 3.120 172 HA HIS 27 HA HIS 27 -1.679 3.816 3.700 173 HB2 HIS 27 1HB HIS 27 -2.543 0.940 3.806 174 HB3 HIS 27 2HB HIS 27 -0.854 1.380 4.044 175 HD1 HIS 27 HD1 HIS 27 -2.685 0.105 6.262 176 HD2 HIS 27 HD2 HIS 27 -1.816 4.149 5.868 177 HE1 HIS 27 HE1 HIS 27 -3.029 1.093 8.549 178 H LEU 28 H LEU 28 -2.939 2.097 0.981 179 HA LEU 28 HA LEU 28 -0.384 1.605 -0.250 180 HB2 LEU 28 1HB LEU 28 -2.192 0.104 -0.726 181 HB3 LEU 28 2HB LEU 28 -3.209 1.433 -1.280 182 HG LEU 28 HG LEU 28 -1.691 1.750 -3.203 183 HD11 LEU 28 1HD1 LEU 28 0.054 0.226 -3.697 184 HD12 LEU 28 2HD1 LEU 28 -0.392 -0.828 -2.355 185 HD13 LEU 28 3HD1 LEU 28 0.305 0.760 -2.035 186 HD21 LEU 28 3HD2 LEU 28 -2.395 -1.123 -3.330 187 HD22 LEU 28 1HD2 LEU 28 -2.763 0.189 -4.450 188 HD23 LEU 28 2HD2 LEU 28 -3.699 0.008 -2.967 189 H THR 29 H THR 29 -3.153 3.689 -1.100 190 HA THR 29 HA THR 29 -1.936 5.098 -3.160 191 HB THR 29 HB THR 29 -4.385 5.165 -2.489 192 HG1 THR 29 HG1 THR 29 -3.111 6.708 -3.951 193 HG21 THR 29 3HG2 THR 29 -5.046 6.980 -0.965 194 HG22 THR 29 1HG2 THR 29 -3.348 7.276 -0.593 195 HG23 THR 29 2HG2 THR 29 -4.097 5.745 -0.139 196 H GLN 30 H GLN 30 -1.933 5.738 0.319 197 HA GLN 30 HA GLN 30 -0.581 8.224 0.167 198 HB2 GLN 30 1HB GLN 30 -1.144 6.251 2.343 199 HB3 GLN 30 2HB GLN 30 0.015 7.540 2.636 200 HG2 GLN 30 1HG GLN 30 -1.784 9.151 1.901 201 HG3 GLN 30 2HG GLN 30 -2.902 7.789 1.972 202 HE21 GLN 30 1HE2 GLN 30 -0.520 9.546 3.909 203 HE22 GLN 30 2HE2 GLN 30 -1.335 9.340 5.418 204 H HIS 31 H HIS 31 0.484 4.906 0.218 205 HA HIS 31 HA HIS 31 3.215 5.470 0.844 206 HB2 HIS 31 1HB HIS 31 2.694 3.279 1.351 207 HB3 HIS 31 2HB HIS 31 1.684 3.077 -0.078 208 HD1 HIS 31 HD1 HIS 31 5.258 2.952 1.048 209 HD2 HIS 31 HD2 HIS 31 3.005 2.175 -2.355 210 HE1 HIS 31 HE1 HIS 31 6.805 1.737 -0.519 211 H GLN 32 H GLN 32 1.333 5.211 -2.096 212 HA GLN 32 HA GLN 32 3.404 4.972 -3.957 213 HB2 GLN 32 1HB GLN 32 0.731 6.355 -4.233 214 HB3 GLN 32 2HB GLN 32 1.796 5.958 -5.575 215 HG2 GLN 32 1HG GLN 32 1.375 3.708 -5.426 216 HG3 GLN 32 2HG GLN 32 0.924 3.795 -3.725 217 HE21 GLN 32 1HE2 GLN 32 -0.758 2.364 -4.957 218 HE22 GLN 32 2HE2 GLN 32 -2.206 3.191 -5.406 219 H ARG 33 H ARG 33 2.615 7.554 -1.907 220 HA ARG 33 HA ARG 33 3.312 9.791 -3.422 221 HB2 ARG 33 1HB ARG 33 3.821 9.379 -0.471 222 HB3 ARG 33 2HB ARG 33 3.693 10.921 -1.306 223 HG2 ARG 33 1HG ARG 33 1.408 9.008 -1.399 224 HG3 ARG 33 2HG ARG 33 1.678 9.985 0.046 225 HD2 ARG 33 1HD ARG 33 1.373 11.057 -2.757 226 HD3 ARG 33 2HD ARG 33 0.108 11.043 -1.529 227 HE ARG 33 HE ARG 33 2.522 12.381 -0.712 228 HH11 ARG 33 1HH1 ARG 33 -0.552 12.715 -2.313 229 HH12 ARG 33 2HH1 ARG 33 -0.659 14.421 -2.034 230 HH21 ARG 33 1HH2 ARG 33 2.392 14.627 -0.339 231 HH22 ARG 33 2HH2 ARG 33 1.016 15.508 -0.911 232 H VAL 34 H VAL 34 5.237 7.201 -2.412 233 HA VAL 34 HA VAL 34 7.726 8.667 -2.286 234 HB VAL 34 HB VAL 34 8.796 6.517 -1.969 235 HG11 VAL 34 1HG1 VAL 34 6.231 6.571 -0.387 236 HG12 VAL 34 2HG1 VAL 34 7.774 5.866 0.099 237 HG13 VAL 34 3HG1 VAL 34 7.615 7.615 -0.069 238 HG21 VAL 34 3HG2 VAL 34 7.149 4.497 -1.819 239 HG22 VAL 34 1HG2 VAL 34 6.164 5.470 -2.913 240 HG23 VAL 34 2HG2 VAL 34 7.796 4.993 -3.383 241 H HIS 35 H HIS 35 6.005 6.632 -4.583 242 HA HIS 35 HA HIS 35 8.197 6.744 -6.490 243 HB2 HIS 35 1HB HIS 35 5.441 5.563 -6.875 244 HB3 HIS 35 2HB HIS 35 6.874 5.259 -7.853 245 HD1 HIS 35 HD1 HIS 35 8.918 4.626 -5.672 246 HD2 HIS 35 HD2 HIS 35 5.033 3.153 -5.692 247 HE1 HIS 35 HE1 HIS 35 8.982 2.542 -4.265 248 H THR 36 H THR 36 5.113 8.251 -5.894 249 HA THR 36 HA THR 36 4.547 9.318 -8.401 250 HB THR 36 HB THR 36 3.176 9.411 -6.184 251 HG1 THR 36 HG1 THR 36 3.267 11.250 -8.307 252 HG21 THR 36 3HG2 THR 36 4.544 12.100 -6.080 253 HG22 THR 36 1HG2 THR 36 4.880 10.766 -4.978 254 HG23 THR 36 2HG2 THR 36 3.281 11.509 -5.000 255 H GLY 37 H GLY 37 6.705 10.489 -5.863 256 HA2 GLY 37 1HA GLY 37 8.237 12.203 -5.832 257 HA3 GLY 37 2HA GLY 37 8.487 11.785 -7.521 258 H GLU 38 H GLU 38 8.974 14.216 -7.383 259 HA GLU 38 HA GLU 38 6.761 15.585 -8.590 260 HB2 GLU 38 1HB GLU 38 6.121 16.029 -6.330 261 HB3 GLU 38 2HB GLU 38 7.769 16.447 -5.881 262 HG2 GLU 38 1HG GLU 38 6.719 18.500 -6.039 263 HG3 GLU 38 2HG GLU 38 7.539 18.345 -7.591 264 H LYS 39 H LYS 39 7.420 17.236 -9.896 265 HA LYS 39 HA LYS 39 10.130 18.278 -9.641 266 HB2 LYS 39 1HB LYS 39 10.476 16.363 -11.069 267 HB3 LYS 39 2HB LYS 39 9.122 16.826 -12.092 268 HG2 LYS 39 1HG LYS 39 10.471 18.987 -12.508 269 HG3 LYS 39 2HG LYS 39 11.838 18.059 -11.887 270 HD2 LYS 39 1HD LYS 39 11.777 16.549 -13.649 271 HD3 LYS 39 2HD LYS 39 10.095 16.920 -14.038 272 HE2 LYS 39 1HE LYS 39 12.162 19.055 -14.304 273 HE3 LYS 39 2HE LYS 39 12.051 17.807 -15.544 274 HZ1 LYS 39 3HZ LYS 39 10.715 19.754 -16.090 275 HZ2 LYS 39 1HZ LYS 39 9.817 19.558 -14.669 276 HZ3 LYS 39 2HZ LYS 39 9.740 18.387 -15.887 277 HA PRO 40 HA PRO 40 8.095 21.990 -10.857 278 HB2 PRO 40 1HB PRO 40 10.270 23.433 -11.604 279 HB3 PRO 40 2HB PRO 40 9.876 23.094 -9.914 280 HG2 PRO 40 1HG PRO 40 11.843 21.729 -11.712 281 HG3 PRO 40 2HG PRO 40 12.025 22.210 -10.015 282 HD2 PRO 40 1HD PRO 40 11.469 19.666 -10.756 283 HD3 PRO 40 2HD PRO 40 10.875 20.370 -9.238 284 H SER 41 H SER 41 7.656 23.313 -12.706 285 HA SER 41 HA SER 41 7.548 21.872 -15.138 286 HB2 SER 41 1HB SER 41 5.856 23.544 -14.540 287 HB3 SER 41 2HB SER 41 7.072 24.819 -14.622 288 HG SER 41 HG SER 41 5.627 24.316 -16.549 289 H GLY 42 H GLY 42 9.661 21.324 -15.726 290 HA2 GLY 42 1HA GLY 42 11.054 22.290 -17.629 291 HA3 GLY 42 2HA GLY 42 11.399 23.583 -16.489 292 HA PRO 43 HA PRO 43 14.425 19.926 -16.138 293 HB2 PRO 43 1HB PRO 43 16.566 21.072 -17.352 294 HB3 PRO 43 2HB PRO 43 15.371 20.105 -18.224 295 HG2 PRO 43 1HG PRO 43 15.605 23.082 -18.007 296 HG3 PRO 43 2HG PRO 43 15.247 22.089 -19.431 297 HD2 PRO 43 1HD PRO 43 13.321 23.385 -18.038 298 HD3 PRO 43 2HD PRO 43 13.030 21.835 -18.854 299 H SER 44 H SER 44 16.756 20.177 -15.213 300 HA SER 44 HA SER 44 16.585 22.166 -13.074 301 HB2 SER 44 1HB SER 44 16.983 19.610 -12.732 302 HB3 SER 44 2HB SER 44 18.646 19.984 -13.184 303 HG SER 44 HG SER 44 18.739 21.436 -11.457 304 H SER 45 H SER 45 17.664 23.998 -13.298 305 HA SER 45 HA SER 45 20.275 23.942 -14.657 306 HB2 SER 45 1HB SER 45 17.942 25.755 -15.123 307 HB3 SER 45 2HB SER 45 19.571 26.405 -15.306 308 HG SER 45 HG SER 45 18.195 24.607 -16.879 309 H GLY 46 H GLY 46 18.166 25.884 -12.539 310 HA2 GLY 46 1HA GLY 46 19.893 27.688 -11.486 311 HA3 GLY 46 2HA GLY 46 18.657 26.895 -10.520 Start of MODEL 15 1 H1 GLY 1 H GLY 1 13.223 -31.822 5.102 2 HA2 GLY 1 1HA GLY 1 13.013 -29.570 5.496 3 HA3 GLY 1 2HA GLY 1 14.512 -29.373 4.599 4 H SER 2 H SER 2 11.020 -29.440 4.381 5 HA SER 2 HA SER 2 11.226 -28.006 1.819 6 HB2 SER 2 1HB SER 2 9.266 -29.159 0.978 7 HB3 SER 2 2HB SER 2 10.464 -30.357 1.469 8 HG SER 2 HG SER 2 9.145 -30.109 3.595 9 H SER 3 H SER 3 10.187 -26.119 1.768 10 HA SER 3 HA SER 3 7.988 -25.644 3.652 11 HB2 SER 3 1HB SER 3 10.346 -24.717 4.365 12 HB3 SER 3 2HB SER 3 9.986 -23.461 3.180 13 HG SER 3 HG SER 3 8.543 -24.136 5.518 14 H GLY 4 H GLY 4 6.814 -23.565 3.111 15 HA2 GLY 4 1HA GLY 4 7.045 -22.324 0.604 16 HA3 GLY 4 2HA GLY 4 5.916 -23.661 0.450 17 H SER 5 H SER 5 4.456 -21.836 -0.117 18 HA SER 5 HA SER 5 2.734 -21.259 2.055 19 HB2 SER 5 1HB SER 5 4.459 -19.580 2.572 20 HB3 SER 5 2HB SER 5 4.290 -18.907 0.951 21 HG SER 5 HG SER 5 2.841 -17.696 1.881 22 H SER 6 H SER 6 0.742 -21.100 1.259 23 HA SER 6 HA SER 6 0.346 -20.992 -1.586 24 HB2 SER 6 1HB SER 6 -1.687 -21.059 0.657 25 HB3 SER 6 2HB SER 6 -2.030 -21.324 -1.052 26 HG SER 6 HG SER 6 -0.050 -22.900 0.107 27 H GLY 7 H GLY 7 -1.031 -19.483 -2.687 28 HA2 GLY 7 1HA GLY 7 -0.631 -16.769 -1.720 29 HA3 GLY 7 2HA GLY 7 -1.200 -17.236 -3.316 30 H THR 8 H THR 8 -2.402 -17.946 -0.041 31 HA THR 8 HA THR 8 -5.028 -16.927 -0.902 32 HB THR 8 HB THR 8 -5.176 -19.265 -0.365 33 HG1 THR 8 HG1 THR 8 -6.186 -17.611 1.726 34 HG21 THR 8 3HG2 THR 8 -3.271 -19.695 0.957 35 HG22 THR 8 1HG2 THR 8 -4.644 -19.987 2.024 36 HG23 THR 8 2HG2 THR 8 -3.729 -18.485 2.156 37 H GLY 9 H GLY 9 -2.427 -16.456 1.262 38 HA2 GLY 9 1HA GLY 9 -4.089 -14.703 2.958 39 HA3 GLY 9 2HA GLY 9 -2.579 -15.442 3.469 40 H GLU 10 H GLU 10 -3.809 -13.266 0.926 41 HA GLU 10 HA GLU 10 -1.411 -11.608 1.346 42 HB2 GLU 10 1HB GLU 10 -1.388 -11.076 -1.028 43 HB3 GLU 10 2HB GLU 10 -1.272 -12.814 -0.794 44 HG2 GLU 10 1HG GLU 10 -3.545 -13.130 -1.423 45 HG3 GLU 10 2HG GLU 10 -3.846 -11.393 -1.417 46 H LYS 11 H LYS 11 -1.669 -9.356 1.099 47 HA LYS 11 HA LYS 11 -4.064 -8.303 2.108 48 HB2 LYS 11 1HB LYS 11 -1.585 -7.136 0.918 49 HB3 LYS 11 2HB LYS 11 -2.980 -6.089 1.150 50 HG2 LYS 11 1HG LYS 11 -1.858 -5.766 3.116 51 HG3 LYS 11 2HG LYS 11 -2.948 -7.079 3.570 52 HD2 LYS 11 1HD LYS 11 -0.285 -7.793 2.457 53 HD3 LYS 11 2HD LYS 11 -0.353 -7.164 4.105 54 HE2 LYS 11 1HE LYS 11 -2.312 -8.937 4.301 55 HE3 LYS 11 2HE LYS 11 -1.422 -9.702 2.985 56 HZ1 LYS 11 3HZ LYS 11 0.596 -9.406 4.500 57 HZ2 LYS 11 1HZ LYS 11 -0.513 -10.622 4.894 58 HZ3 LYS 11 2HZ LYS 11 -0.524 -9.160 5.744 59 HA PRO 12 HA PRO 12 -6.654 -7.754 -1.395 60 HB2 PRO 12 1HB PRO 12 -7.977 -5.485 -0.707 61 HB3 PRO 12 2HB PRO 12 -8.276 -7.045 0.070 62 HG2 PRO 12 1HG PRO 12 -6.604 -4.748 1.014 63 HG3 PRO 12 2HG PRO 12 -7.733 -5.762 1.932 64 HD2 PRO 12 1HD PRO 12 -5.051 -6.129 2.009 65 HD3 PRO 12 2HD PRO 12 -6.204 -7.470 2.167 66 H PHE 13 H PHE 13 -4.384 -5.309 -0.486 67 HA PHE 13 HA PHE 13 -4.516 -4.200 -3.212 68 HB2 PHE 13 1HB PHE 13 -3.727 -2.642 -0.746 69 HB3 PHE 13 2HB PHE 13 -3.972 -2.014 -2.372 70 HD1 PHE 13 HD1 PHE 13 -6.320 -2.175 -3.359 71 HD2 PHE 13 HD2 PHE 13 -5.476 -2.689 0.781 72 HE1 PHE 13 HE1 PHE 13 -8.676 -1.706 -2.824 73 HE2 PHE 13 HE2 PHE 13 -7.830 -2.222 1.323 74 HZ PHE 13 HZ PHE 13 -9.434 -1.731 -0.481 75 H LYS 14 H LYS 14 -2.486 -3.351 -4.033 76 HA LYS 14 HA LYS 14 -0.042 -4.063 -2.669 77 HB2 LYS 14 1HB LYS 14 -0.829 -6.185 -3.782 78 HB3 LYS 14 2HB LYS 14 -0.637 -5.367 -5.327 79 HG2 LYS 14 1HG LYS 14 1.786 -4.934 -4.510 80 HG3 LYS 14 2HG LYS 14 1.450 -6.251 -3.384 81 HD2 LYS 14 1HD LYS 14 0.664 -7.545 -5.469 82 HD3 LYS 14 2HD LYS 14 1.529 -6.307 -6.383 83 HE2 LYS 14 1HE LYS 14 3.204 -7.836 -6.145 84 HE3 LYS 14 2HE LYS 14 3.454 -6.905 -4.668 85 HZ1 LYS 14 3HZ LYS 14 2.175 -8.552 -3.453 86 HZ2 LYS 14 1HZ LYS 14 3.483 -9.283 -4.239 87 HZ3 LYS 14 2HZ LYS 14 1.921 -9.442 -4.869 88 H CYS 15 H CYS 15 1.680 -2.875 -3.359 89 HA CYS 15 HA CYS 15 1.108 -0.720 -5.203 90 HB2 CYS 15 1HB CYS 15 2.291 0.020 -3.324 91 HB3 CYS 15 2HB CYS 15 3.377 -1.366 -3.344 92 H GLY 16 H GLY 16 1.246 -1.151 -7.313 93 HA2 GLY 16 1HA GLY 16 3.109 -3.125 -8.324 94 HA3 GLY 16 2HA GLY 16 1.940 -2.211 -9.266 95 H GLU 17 H GLU 17 4.543 -1.091 -7.123 96 HA GLU 17 HA GLU 17 5.868 0.100 -9.460 97 HB2 GLU 17 1HB GLU 17 5.369 1.510 -6.832 98 HB3 GLU 17 2HB GLU 17 6.282 2.158 -8.187 99 HG2 GLU 17 1HG GLU 17 4.225 2.017 -9.568 100 HG3 GLU 17 2HG GLU 17 3.342 1.528 -8.123 101 H CYS 18 H CYS 18 6.130 -0.785 -6.039 102 HA CYS 18 HA CYS 18 8.996 -1.309 -6.484 103 HB2 CYS 18 1HB CYS 18 9.492 -0.619 -4.257 104 HB3 CYS 18 2HB CYS 18 8.483 0.642 -4.958 105 H GLY 19 H GLY 19 6.089 -2.254 -4.689 106 HA2 GLY 19 1HA GLY 19 5.612 -4.700 -4.808 107 HA3 GLY 19 2HA GLY 19 7.293 -4.933 -4.351 108 H LYS 20 H LYS 20 4.747 -2.778 -3.105 109 HA LYS 20 HA LYS 20 5.077 -4.065 -0.476 110 HB2 LYS 20 1HB LYS 20 4.976 -1.133 -1.154 111 HB3 LYS 20 2HB LYS 20 4.570 -1.720 0.454 112 HG2 LYS 20 1HG LYS 20 6.852 -2.862 0.422 113 HG3 LYS 20 2HG LYS 20 7.205 -1.834 -0.969 114 HD2 LYS 20 1HD LYS 20 8.023 -0.607 0.835 115 HD3 LYS 20 2HD LYS 20 6.435 0.105 0.544 116 HE2 LYS 20 1HE LYS 20 5.558 -1.502 2.303 117 HE3 LYS 20 2HE LYS 20 7.244 -1.828 2.702 118 HZ1 LYS 20 3HZ LYS 20 5.933 0.836 2.794 119 HZ2 LYS 20 1HZ LYS 20 7.548 0.517 3.186 120 HZ3 LYS 20 2HZ LYS 20 6.306 -0.126 4.135 121 H SER 21 H SER 21 3.246 -4.853 0.313 122 HA SER 21 HA SER 21 0.707 -3.903 -0.819 123 HB2 SER 21 1HB SER 21 -0.243 -6.031 -0.108 124 HB3 SER 21 2HB SER 21 1.214 -6.321 -1.059 125 HG SER 21 HG SER 21 1.367 -6.132 1.744 126 H TYR 22 H TYR 22 -1.095 -3.535 0.555 127 HA TYR 22 HA TYR 22 -0.475 -3.180 3.403 128 HB2 TYR 22 1HB TYR 22 -1.612 -1.114 1.526 129 HB3 TYR 22 2HB TYR 22 -1.830 -1.014 3.270 130 HD1 TYR 22 HD2 TYR 22 0.663 -0.943 0.551 131 HD2 TYR 22 HD1 TYR 22 -0.052 -0.312 4.698 132 HE1 TYR 22 HE2 TYR 22 2.851 0.162 0.754 133 HE2 TYR 22 HE1 TYR 22 2.133 0.797 4.912 134 HH TYR 22 HH TYR 22 3.717 2.106 3.107 135 H ASN 23 H ASN 23 -2.223 -3.379 4.808 136 HA ASN 23 HA ASN 23 -4.228 -5.177 4.098 137 HB2 ASN 23 1HB ASN 23 -3.534 -4.870 6.412 138 HB3 ASN 23 2HB ASN 23 -4.151 -3.220 6.405 139 HD21 ASN 23 1HD2 ASN 23 -6.357 -2.863 6.497 140 HD22 ASN 23 2HD2 ASN 23 -7.476 -4.102 6.941 141 H GLN 24 H GLN 24 -4.279 -1.651 4.264 142 HA GLN 24 HA GLN 24 -6.971 -1.695 3.071 143 HB2 GLN 24 1HB GLN 24 -5.670 0.127 5.036 144 HB3 GLN 24 2HB GLN 24 -6.824 0.825 3.907 145 HG2 GLN 24 1HG GLN 24 -8.346 -1.141 4.693 146 HG3 GLN 24 2HG GLN 24 -7.266 -1.156 6.086 147 HE21 GLN 24 1HE2 GLN 24 -9.706 0.599 4.365 148 HE22 GLN 24 2HE2 GLN 24 -10.007 1.786 5.584 149 H ARG 25 H ARG 25 -7.382 0.405 1.766 150 HA ARG 25 HA ARG 25 -5.331 0.503 -0.280 151 HB2 ARG 25 1HB ARG 25 -7.014 1.883 -1.511 152 HB3 ARG 25 2HB ARG 25 -7.593 0.288 -1.050 153 HG2 ARG 25 1HG ARG 25 -8.889 1.194 0.735 154 HG3 ARG 25 2HG ARG 25 -8.171 2.791 0.514 155 HD2 ARG 25 1HD ARG 25 -9.133 2.699 -1.851 156 HD3 ARG 25 2HD ARG 25 -10.091 1.334 -1.279 157 HE ARG 25 HE ARG 25 -10.473 3.401 0.529 158 HH11 ARG 25 1HH1 ARG 25 -11.073 2.772 -2.842 159 HH12 ARG 25 2HH1 ARG 25 -12.463 3.803 -2.921 160 HH21 ARG 25 1HH2 ARG 25 -12.302 4.760 0.438 161 HH22 ARG 25 2HH2 ARG 25 -13.161 4.933 -1.055 162 H VAL 26 H VAL 26 -6.905 2.720 1.985 163 HA VAL 26 HA VAL 26 -5.754 5.110 1.153 164 HB VAL 26 HB VAL 26 -7.495 5.219 2.762 165 HG11 VAL 26 1HG1 VAL 26 -6.129 4.199 5.105 166 HG12 VAL 26 2HG1 VAL 26 -7.734 3.817 4.477 167 HG13 VAL 26 3HG1 VAL 26 -6.318 2.965 3.860 168 HG21 VAL 26 3HG2 VAL 26 -6.672 6.852 4.158 169 HG22 VAL 26 1HG2 VAL 26 -5.182 5.968 4.488 170 HG23 VAL 26 2HG2 VAL 26 -5.399 6.783 2.939 171 H HIS 27 H HIS 27 -4.358 2.439 2.854 172 HA HIS 27 HA HIS 27 -2.077 3.925 3.818 173 HB2 HIS 27 1HB HIS 27 -3.025 1.109 3.979 174 HB3 HIS 27 2HB HIS 27 -1.295 1.390 4.149 175 HD1 HIS 27 HD1 HIS 27 -0.559 1.807 6.466 176 HD2 HIS 27 HD2 HIS 27 -4.540 2.854 5.902 177 HE1 HIS 27 HE1 HIS 27 -1.391 2.530 8.727 178 H LEU 28 H LEU 28 -2.902 1.949 1.063 179 HA LEU 28 HA LEU 28 -0.212 1.597 0.149 180 HB2 LEU 28 1HB LEU 28 -1.624 -0.051 -0.630 181 HB3 LEU 28 2HB LEU 28 -2.931 1.083 -0.964 182 HG LEU 28 HG LEU 28 -1.604 1.922 -2.908 183 HD11 LEU 28 1HD1 LEU 28 0.081 -0.535 -2.494 184 HD12 LEU 28 2HD1 LEU 28 0.587 1.080 -2.000 185 HD13 LEU 28 3HD1 LEU 28 0.284 0.734 -3.702 186 HD21 LEU 28 3HD2 LEU 28 -3.423 0.284 -3.150 187 HD22 LEU 28 1HD2 LEU 28 -2.255 -1.023 -2.956 188 HD23 LEU 28 2HD2 LEU 28 -2.151 0.052 -4.350 189 H THR 29 H THR 29 -2.943 3.574 -1.010 190 HA THR 29 HA THR 29 -1.689 4.929 -3.051 191 HB THR 29 HB THR 29 -4.128 5.091 -2.396 192 HG1 THR 29 HG1 THR 29 -4.084 7.491 -2.963 193 HG21 THR 29 3HG2 THR 29 -4.807 6.789 -0.836 194 HG22 THR 29 1HG2 THR 29 -3.136 7.286 -0.577 195 HG23 THR 29 2HG2 THR 29 -3.683 5.706 -0.017 196 H GLN 30 H GLN 30 -1.763 5.792 0.394 197 HA GLN 30 HA GLN 30 -0.361 8.200 0.217 198 HB2 GLN 30 1HB GLN 30 -0.691 6.177 2.413 199 HB3 GLN 30 2HB GLN 30 0.328 7.592 2.638 200 HG2 GLN 30 1HG GLN 30 -1.786 8.885 1.820 201 HG3 GLN 30 2HG GLN 30 -2.626 7.416 2.315 202 HE21 GLN 30 1HE2 GLN 30 -3.562 7.802 4.190 203 HE22 GLN 30 2HE2 GLN 30 -2.823 8.555 5.558 204 H HIS 31 H HIS 31 0.803 4.881 0.545 205 HA HIS 31 HA HIS 31 3.533 5.526 0.894 206 HB2 HIS 31 1HB HIS 31 3.110 3.351 1.516 207 HB3 HIS 31 2HB HIS 31 2.001 3.070 0.177 208 HD1 HIS 31 HD1 HIS 31 5.728 3.433 0.795 209 HD2 HIS 31 HD2 HIS 31 3.088 1.701 -1.906 210 HE1 HIS 31 HE1 HIS 31 7.158 2.075 -0.767 211 H GLN 32 H GLN 32 1.615 4.722 -1.977 212 HA GLN 32 HA GLN 32 3.576 4.574 -3.891 213 HB2 GLN 32 1HB GLN 32 0.827 5.807 -4.113 214 HB3 GLN 32 2HB GLN 32 1.855 5.438 -5.491 215 HG2 GLN 32 1HG GLN 32 1.790 3.085 -4.960 216 HG3 GLN 32 2HG GLN 32 0.863 3.415 -3.497 217 HE21 GLN 32 1HE2 GLN 32 0.294 1.823 -5.958 218 HE22 GLN 32 2HE2 GLN 32 -1.232 2.407 -6.519 219 H ARG 33 H ARG 33 2.344 7.406 -2.268 220 HA ARG 33 HA ARG 33 3.081 9.466 -3.908 221 HB2 ARG 33 1HB ARG 33 3.286 9.235 -0.907 222 HB3 ARG 33 2HB ARG 33 3.587 10.738 -1.767 223 HG2 ARG 33 1HG ARG 33 1.210 10.196 -2.798 224 HG3 ARG 33 2HG ARG 33 1.041 9.302 -1.286 225 HD2 ARG 33 1HD ARG 33 1.884 11.456 -0.163 226 HD3 ARG 33 2HD ARG 33 1.507 12.236 -1.699 227 HE ARG 33 HE ARG 33 -0.741 11.998 -1.247 228 HH11 ARG 33 1HH1 ARG 33 1.141 10.206 1.069 229 HH12 ARG 33 2HH1 ARG 33 -0.200 9.908 2.124 230 HH21 ARG 33 1HH2 ARG 33 -2.516 11.612 0.134 231 HH22 ARG 33 2HH2 ARG 33 -2.280 10.707 1.591 232 H VAL 34 H VAL 34 5.166 7.484 -1.878 233 HA VAL 34 HA VAL 34 7.521 8.953 -2.013 234 HB VAL 34 HB VAL 34 8.710 6.934 -1.501 235 HG11 VAL 34 1HG1 VAL 34 7.815 7.203 0.519 236 HG12 VAL 34 2HG1 VAL 34 6.249 7.651 -0.160 237 HG13 VAL 34 3HG1 VAL 34 6.652 5.951 0.084 238 HG21 VAL 34 3HG2 VAL 34 8.013 5.339 -3.041 239 HG22 VAL 34 1HG2 VAL 34 7.339 4.742 -1.524 240 HG23 VAL 34 2HG2 VAL 34 6.305 5.587 -2.676 241 H HIS 35 H HIS 35 6.184 6.612 -4.301 242 HA HIS 35 HA HIS 35 8.444 6.691 -6.053 243 HB2 HIS 35 1HB HIS 35 5.645 5.790 -6.739 244 HB3 HIS 35 2HB HIS 35 7.147 5.316 -7.527 245 HD1 HIS 35 HD1 HIS 35 8.875 4.339 -5.331 246 HD2 HIS 35 HD2 HIS 35 4.781 3.633 -5.373 247 HE1 HIS 35 HE1 HIS 35 8.524 2.331 -3.858 248 H THR 36 H THR 36 5.572 8.574 -5.651 249 HA THR 36 HA THR 36 6.048 9.939 -8.212 250 HB THR 36 HB THR 36 3.799 10.927 -7.910 251 HG1 THR 36 HG1 THR 36 2.550 9.650 -6.194 252 HG21 THR 36 3HG2 THR 36 3.681 7.928 -7.631 253 HG22 THR 36 1HG2 THR 36 4.191 8.743 -9.109 254 HG23 THR 36 2HG2 THR 36 2.556 8.979 -8.491 255 H GLY 37 H GLY 37 7.791 11.229 -7.536 256 HA2 GLY 37 1HA GLY 37 8.096 13.604 -7.069 257 HA3 GLY 37 2HA GLY 37 7.004 13.409 -5.706 258 H GLU 38 H GLU 38 9.603 11.196 -6.568 259 HA GLU 38 HA GLU 38 10.667 11.324 -3.911 260 HB2 GLU 38 1HB GLU 38 10.680 9.222 -5.142 261 HB3 GLU 38 2HB GLU 38 11.689 9.934 -6.393 262 HG2 GLU 38 1HG GLU 38 13.144 8.661 -5.084 263 HG3 GLU 38 2HG GLU 38 13.412 10.328 -4.577 264 H LYS 39 H LYS 39 12.774 11.973 -3.303 265 HA LYS 39 HA LYS 39 13.613 14.430 -4.396 266 HB2 LYS 39 1HB LYS 39 13.998 13.301 -2.028 267 HB3 LYS 39 2HB LYS 39 15.501 12.780 -2.777 268 HG2 LYS 39 1HG LYS 39 16.228 14.996 -3.099 269 HG3 LYS 39 2HG LYS 39 14.625 15.652 -2.756 270 HD2 LYS 39 1HD LYS 39 15.729 16.057 -0.770 271 HD3 LYS 39 2HD LYS 39 14.961 14.502 -0.437 272 HE2 LYS 39 1HE LYS 39 17.137 14.184 0.309 273 HE3 LYS 39 2HE LYS 39 17.166 13.484 -1.309 274 HZ1 LYS 39 3HZ LYS 39 17.807 16.121 -1.673 275 HZ2 LYS 39 1HZ LYS 39 18.881 14.814 -1.700 276 HZ3 LYS 39 2HZ LYS 39 18.646 15.686 -0.270 277 HA PRO 40 HA PRO 40 16.166 13.150 -7.753 278 HB2 PRO 40 1HB PRO 40 17.675 15.394 -7.994 279 HB3 PRO 40 2HB PRO 40 15.986 15.312 -8.509 280 HG2 PRO 40 1HG PRO 40 17.144 16.431 -5.985 281 HG3 PRO 40 2HG PRO 40 15.870 17.098 -7.024 282 HD2 PRO 40 1HD PRO 40 15.331 15.779 -4.721 283 HD3 PRO 40 2HD PRO 40 14.248 15.729 -6.126 284 H SER 41 H SER 41 17.719 11.676 -7.504 285 HA SER 41 HA SER 41 20.029 12.347 -5.799 286 HB2 SER 41 1HB SER 41 18.913 9.588 -6.356 287 HB3 SER 41 2HB SER 41 20.265 9.973 -5.292 288 HG SER 41 HG SER 41 17.600 10.890 -4.947 289 H GLY 42 H GLY 42 20.997 13.307 -7.701 290 HA2 GLY 42 1HA GLY 42 23.045 12.449 -8.907 291 HA3 GLY 42 2HA GLY 42 21.941 11.304 -9.655 292 HA PRO 43 HA PRO 43 22.256 15.467 -11.982 293 HB2 PRO 43 1HB PRO 43 23.992 14.739 -13.939 294 HB3 PRO 43 2HB PRO 43 24.513 15.465 -12.414 295 HG2 PRO 43 1HG PRO 43 24.487 12.585 -13.229 296 HG3 PRO 43 2HG PRO 43 25.742 13.492 -12.364 297 HD2 PRO 43 1HD PRO 43 23.990 11.860 -11.099 298 HD3 PRO 43 2HD PRO 43 24.644 13.327 -10.344 299 H SER 44 H SER 44 20.174 15.138 -12.710 300 HA SER 44 HA SER 44 19.605 13.036 -14.622 301 HB2 SER 44 1HB SER 44 17.945 15.125 -13.235 302 HB3 SER 44 2HB SER 44 17.293 14.213 -14.595 303 HG SER 44 HG SER 44 18.075 12.310 -13.292 304 H SER 45 H SER 45 18.238 13.706 -16.585 305 HA SER 45 HA SER 45 19.462 16.071 -17.848 306 HB2 SER 45 1HB SER 45 18.961 13.320 -18.968 307 HB3 SER 45 2HB SER 45 19.148 14.721 -20.022 308 HG SER 45 HG SER 45 21.041 14.028 -18.034 309 H GLY 46 H GLY 46 18.048 17.574 -18.431 310 HA2 GLY 46 1HA GLY 46 16.109 18.153 -19.785 311 HA3 GLY 46 2HA GLY 46 15.313 16.723 -19.144 Start of MODEL 16 1 H1 GLY 1 H GLY 1 15.215 -25.350 -5.201 2 HA2 GLY 1 1HA GLY 1 13.524 -26.302 -7.401 3 HA3 GLY 1 2HA GLY 1 13.342 -26.724 -5.705 4 H SER 2 H SER 2 12.613 -24.973 -4.245 5 HA SER 2 HA SER 2 10.661 -23.268 -5.638 6 HB2 SER 2 1HB SER 2 10.639 -24.639 -2.970 7 HB3 SER 2 2HB SER 2 9.646 -23.204 -3.224 8 HG SER 2 HG SER 2 9.534 -25.220 -5.149 9 H SER 3 H SER 3 11.687 -21.366 -5.964 10 HA SER 3 HA SER 3 13.141 -20.142 -3.734 11 HB2 SER 3 1HB SER 3 13.995 -18.558 -5.423 12 HB3 SER 3 2HB SER 3 14.323 -20.229 -5.878 13 HG SER 3 HG SER 3 13.512 -19.204 -7.669 14 H GLY 4 H GLY 4 11.491 -19.377 -2.437 15 HA2 GLY 4 1HA GLY 4 10.554 -16.847 -2.708 16 HA3 GLY 4 2HA GLY 4 9.337 -17.805 -3.539 17 H SER 5 H SER 5 9.174 -20.043 -1.979 18 HA SER 5 HA SER 5 7.759 -20.672 -0.262 19 HB2 SER 5 1HB SER 5 8.923 -20.696 1.844 20 HB3 SER 5 2HB SER 5 10.122 -20.903 0.568 21 HG SER 5 HG SER 5 10.411 -18.549 0.749 22 H SER 6 H SER 6 6.801 -18.300 -1.313 23 HA SER 6 HA SER 6 6.460 -16.088 0.208 24 HB2 SER 6 1HB SER 6 5.392 -16.419 -1.991 25 HB3 SER 6 2HB SER 6 4.236 -17.532 -1.258 26 HG SER 6 HG SER 6 4.491 -14.984 -0.144 27 H GLY 7 H GLY 7 5.349 -15.451 2.000 28 HA2 GLY 7 1HA GLY 7 4.390 -17.597 3.733 29 HA3 GLY 7 2HA GLY 7 4.739 -15.945 4.220 30 H THR 8 H THR 8 2.463 -17.146 5.113 31 HA THR 8 HA THR 8 0.197 -16.688 3.464 32 HB THR 8 HB THR 8 0.164 -18.249 5.383 33 HG1 THR 8 HG1 THR 8 -1.716 -16.112 5.580 34 HG21 THR 8 3HG2 THR 8 1.491 -16.858 6.937 35 HG22 THR 8 1HG2 THR 8 -0.022 -17.412 7.652 36 HG23 THR 8 2HG2 THR 8 0.126 -15.751 7.079 37 H GLY 9 H GLY 9 -1.343 -15.033 3.541 38 HA2 GLY 9 1HA GLY 9 -2.097 -12.977 4.716 39 HA3 GLY 9 2HA GLY 9 -0.398 -12.541 4.820 40 H GLU 10 H GLU 10 -3.015 -13.173 2.515 41 HA GLU 10 HA GLU 10 -1.597 -11.564 0.514 42 HB2 GLU 10 1HB GLU 10 -3.796 -13.596 0.365 43 HB3 GLU 10 2HB GLU 10 -3.593 -12.428 -0.934 44 HG2 GLU 10 1HG GLU 10 -2.476 -14.550 -1.406 45 HG3 GLU 10 2HG GLU 10 -1.343 -13.201 -1.333 46 H LYS 11 H LYS 11 -2.029 -9.463 0.657 47 HA LYS 11 HA LYS 11 -4.601 -8.528 1.621 48 HB2 LYS 11 1HB LYS 11 -2.087 -7.075 0.790 49 HB3 LYS 11 2HB LYS 11 -3.547 -6.260 1.334 50 HG2 LYS 11 1HG LYS 11 -3.295 -6.965 3.510 51 HG3 LYS 11 2HG LYS 11 -2.306 -8.355 3.057 52 HD2 LYS 11 1HD LYS 11 -0.408 -6.999 2.669 53 HD3 LYS 11 2HD LYS 11 -1.368 -5.518 2.704 54 HE2 LYS 11 1HE LYS 11 -0.263 -5.585 4.777 55 HE3 LYS 11 2HE LYS 11 -1.911 -6.112 5.116 56 HZ1 LYS 11 3HZ LYS 11 0.536 -7.516 5.478 57 HZ2 LYS 11 1HZ LYS 11 -0.530 -8.406 4.512 58 HZ3 LYS 11 2HZ LYS 11 -1.010 -7.894 6.051 59 HA PRO 12 HA PRO 12 -6.452 -7.810 -2.298 60 HB2 PRO 12 1HB PRO 12 -8.033 -5.683 -1.710 61 HB3 PRO 12 2HB PRO 12 -8.381 -7.322 -1.150 62 HG2 PRO 12 1HG PRO 12 -7.090 -5.054 0.317 63 HG3 PRO 12 2HG PRO 12 -8.314 -6.203 0.888 64 HD2 PRO 12 1HD PRO 12 -5.686 -6.452 1.492 65 HD3 PRO 12 2HD PRO 12 -6.756 -7.854 1.290 66 H PHE 13 H PHE 13 -4.642 -5.309 -0.707 67 HA PHE 13 HA PHE 13 -4.396 -3.856 -3.257 68 HB2 PHE 13 1HB PHE 13 -3.692 -2.720 -0.558 69 HB3 PHE 13 2HB PHE 13 -4.007 -1.856 -2.059 70 HD1 PHE 13 HD1 PHE 13 -6.464 -2.494 -3.052 71 HD2 PHE 13 HD2 PHE 13 -5.306 -2.515 1.044 72 HE1 PHE 13 HE1 PHE 13 -8.815 -2.198 -2.390 73 HE2 PHE 13 HE2 PHE 13 -7.655 -2.220 1.713 74 HZ PHE 13 HZ PHE 13 -9.413 -2.062 -0.004 75 H LYS 14 H LYS 14 -2.382 -3.359 -4.055 76 HA LYS 14 HA LYS 14 0.004 -3.996 -2.551 77 HB2 LYS 14 1HB LYS 14 -0.731 -6.181 -3.525 78 HB3 LYS 14 2HB LYS 14 -0.560 -5.475 -5.126 79 HG2 LYS 14 1HG LYS 14 1.873 -4.943 -4.227 80 HG3 LYS 14 2HG LYS 14 1.518 -6.327 -3.191 81 HD2 LYS 14 1HD LYS 14 1.248 -7.768 -5.024 82 HD3 LYS 14 2HD LYS 14 1.086 -6.429 -6.162 83 HE2 LYS 14 1HE LYS 14 3.244 -7.218 -6.546 84 HE3 LYS 14 2HE LYS 14 3.492 -5.833 -5.483 85 HZ1 LYS 14 3HZ LYS 14 4.221 -8.522 -5.068 86 HZ2 LYS 14 1HZ LYS 14 3.134 -8.057 -3.858 87 HZ3 LYS 14 2HZ LYS 14 4.556 -7.174 -4.102 88 H CYS 15 H CYS 15 1.632 -2.685 -3.116 89 HA CYS 15 HA CYS 15 1.203 -0.678 -5.100 90 HB2 CYS 15 1HB CYS 15 2.430 0.115 -3.294 91 HB3 CYS 15 2HB CYS 15 3.413 -1.342 -3.191 92 H GLY 16 H GLY 16 1.502 -0.928 -7.208 93 HA2 GLY 16 1HA GLY 16 3.234 -3.073 -8.175 94 HA3 GLY 16 2HA GLY 16 2.088 -2.149 -9.135 95 H GLU 17 H GLU 17 4.752 -1.100 -7.026 96 HA GLU 17 HA GLU 17 6.080 0.042 -9.385 97 HB2 GLU 17 1HB GLU 17 5.376 1.452 -6.818 98 HB3 GLU 17 2HB GLU 17 6.671 2.021 -7.862 99 HG2 GLU 17 1HG GLU 17 4.011 1.527 -9.080 100 HG3 GLU 17 2HG GLU 17 4.213 2.948 -8.056 101 H CYS 18 H CYS 18 6.323 -0.978 -6.017 102 HA CYS 18 HA CYS 18 9.154 -1.618 -6.494 103 HB2 CYS 18 1HB CYS 18 9.779 -0.856 -4.316 104 HB3 CYS 18 2HB CYS 18 8.869 0.445 -5.076 105 H GLY 19 H GLY 19 6.251 -2.251 -4.568 106 HA2 GLY 19 1HA GLY 19 5.622 -4.673 -4.537 107 HA3 GLY 19 2HA GLY 19 7.290 -4.973 -4.072 108 H LYS 20 H LYS 20 4.729 -2.739 -2.989 109 HA LYS 20 HA LYS 20 5.130 -3.766 -0.259 110 HB2 LYS 20 1HB LYS 20 4.986 -0.921 -1.213 111 HB3 LYS 20 2HB LYS 20 4.521 -1.339 0.431 112 HG2 LYS 20 1HG LYS 20 6.843 -2.502 0.511 113 HG3 LYS 20 2HG LYS 20 7.207 -1.457 -0.864 114 HD2 LYS 20 1HD LYS 20 6.167 0.383 0.736 115 HD3 LYS 20 2HD LYS 20 6.688 -0.757 1.979 116 HE2 LYS 20 1HE LYS 20 8.957 -0.731 0.977 117 HE3 LYS 20 2HE LYS 20 8.408 0.504 -0.154 118 HZ1 LYS 20 3HZ LYS 20 7.959 1.973 1.693 119 HZ2 LYS 20 1HZ LYS 20 9.568 1.453 1.756 120 HZ3 LYS 20 2HZ LYS 20 8.421 0.782 2.803 121 H SER 21 H SER 21 3.331 -4.672 0.465 122 HA SER 21 HA SER 21 0.757 -3.855 -0.669 123 HB2 SER 21 1HB SER 21 -0.114 -5.947 0.251 124 HB3 SER 21 2HB SER 21 1.327 -6.261 -0.715 125 HG SER 21 HG SER 21 1.847 -7.319 1.055 126 H TYR 22 H TYR 22 -1.122 -3.798 0.835 127 HA TYR 22 HA TYR 22 -0.582 -3.208 3.608 128 HB2 TYR 22 1HB TYR 22 -1.639 -1.033 1.790 129 HB3 TYR 22 2HB TYR 22 -1.493 -0.928 3.541 130 HD1 TYR 22 HD2 TYR 22 0.453 -1.232 0.402 131 HD2 TYR 22 HD1 TYR 22 0.548 -0.306 4.554 132 HE1 TYR 22 HE2 TYR 22 2.744 -0.373 0.152 133 HE2 TYR 22 HE1 TYR 22 2.839 0.557 4.315 134 HH TYR 22 HH TYR 22 4.304 1.049 1.225 135 H ASN 23 H ASN 23 -2.188 -4.100 4.704 136 HA ASN 23 HA ASN 23 -4.409 -5.320 3.741 137 HB2 ASN 23 1HB ASN 23 -3.558 -5.368 6.116 138 HB3 ASN 23 2HB ASN 23 -4.395 -3.840 6.376 139 HD21 ASN 23 1HD2 ASN 23 -4.633 -7.053 6.804 140 HD22 ASN 23 2HD2 ASN 23 -6.352 -7.230 6.838 141 H GLN 24 H GLN 24 -4.097 -1.907 4.570 142 HA GLN 24 HA GLN 24 -6.845 -1.438 3.654 143 HB2 GLN 24 1HB GLN 24 -4.962 0.435 5.097 144 HB3 GLN 24 2HB GLN 24 -6.646 0.759 4.708 145 HG2 GLN 24 1HG GLN 24 -5.759 -1.507 6.471 146 HG3 GLN 24 2HG GLN 24 -6.196 0.091 7.075 147 HE21 GLN 24 1HE2 GLN 24 -7.406 -2.591 7.465 148 HE22 GLN 24 2HE2 GLN 24 -9.066 -2.405 7.025 149 H ARG 25 H ARG 25 -7.281 0.302 2.183 150 HA ARG 25 HA ARG 25 -5.313 0.453 0.076 151 HB2 ARG 25 1HB ARG 25 -7.069 1.661 -1.163 152 HB3 ARG 25 2HB ARG 25 -7.650 0.135 -0.511 153 HG2 ARG 25 1HG ARG 25 -8.457 1.617 1.477 154 HG3 ARG 25 2HG ARG 25 -8.331 2.921 0.295 155 HD2 ARG 25 1HD ARG 25 -9.938 1.953 -1.109 156 HD3 ARG 25 2HD ARG 25 -9.808 0.383 -0.319 157 HE ARG 25 HE ARG 25 -11.391 1.071 1.166 158 HH11 ARG 25 1HH1 ARG 25 -9.927 3.884 -0.271 159 HH12 ARG 25 2HH1 ARG 25 -10.996 5.000 0.511 160 HH21 ARG 25 1HH2 ARG 25 -12.805 2.531 2.201 161 HH22 ARG 25 2HH2 ARG 25 -12.632 4.230 1.918 162 H VAL 26 H VAL 26 -6.806 2.651 2.401 163 HA VAL 26 HA VAL 26 -5.780 5.063 1.430 164 HB VAL 26 HB VAL 26 -7.501 5.040 3.134 165 HG11 VAL 26 1HG1 VAL 26 -6.073 4.556 5.515 166 HG12 VAL 26 2HG1 VAL 26 -7.396 3.610 4.829 167 HG13 VAL 26 3HG1 VAL 26 -5.725 3.213 4.428 168 HG21 VAL 26 3HG2 VAL 26 -5.459 6.796 3.013 169 HG22 VAL 26 1HG2 VAL 26 -6.838 6.970 4.099 170 HG23 VAL 26 2HG2 VAL 26 -5.328 6.279 4.695 171 H HIS 27 H HIS 27 -4.158 2.426 2.797 172 HA HIS 27 HA HIS 27 -1.906 4.024 3.744 173 HB2 HIS 27 1HB HIS 27 -2.608 1.104 3.924 174 HB3 HIS 27 2HB HIS 27 -0.986 1.678 4.300 175 HD1 HIS 27 HD1 HIS 27 -3.173 0.410 6.309 176 HD2 HIS 27 HD2 HIS 27 -2.077 4.403 5.966 177 HE1 HIS 27 HE1 HIS 27 -3.750 1.458 8.521 178 H LEU 28 H LEU 28 -2.845 1.966 1.097 179 HA LEU 28 HA LEU 28 -0.189 1.632 0.058 180 HB2 LEU 28 1HB LEU 28 -1.750 -0.070 -0.454 181 HB3 LEU 28 2HB LEU 28 -2.934 1.094 -1.043 182 HG LEU 28 HG LEU 28 -1.378 1.575 -2.950 183 HD11 LEU 28 1HD1 LEU 28 0.648 0.687 -1.778 184 HD12 LEU 28 2HD1 LEU 28 0.427 0.102 -3.427 185 HD13 LEU 28 3HD1 LEU 28 0.022 -0.937 -2.061 186 HD21 LEU 28 3HD2 LEU 28 -2.178 -1.321 -2.817 187 HD22 LEU 28 1HD2 LEU 28 -2.109 -0.269 -4.230 188 HD23 LEU 28 2HD2 LEU 28 -3.347 -0.013 -3.000 189 H THR 29 H THR 29 -3.033 3.531 -0.935 190 HA THR 29 HA THR 29 -1.909 4.824 -3.122 191 HB THR 29 HB THR 29 -4.343 4.879 -2.352 192 HG1 THR 29 HG1 THR 29 -3.078 6.366 -3.957 193 HG21 THR 29 3HG2 THR 29 -3.318 7.222 -0.745 194 HG22 THR 29 1HG2 THR 29 -3.905 5.702 -0.072 195 HG23 THR 29 2HG2 THR 29 -5.007 6.761 -0.954 196 H GLN 30 H GLN 30 -1.851 5.725 0.302 197 HA GLN 30 HA GLN 30 -0.568 8.216 -0.043 198 HB2 GLN 30 1HB GLN 30 -0.866 6.341 2.285 199 HB3 GLN 30 2HB GLN 30 0.110 7.797 2.418 200 HG2 GLN 30 1HG GLN 30 -2.715 7.934 1.451 201 HG3 GLN 30 2HG GLN 30 -2.347 7.863 3.173 202 HE21 GLN 30 1HE2 GLN 30 -3.483 9.977 3.044 203 HE22 GLN 30 2HE2 GLN 30 -2.528 11.381 2.724 204 H HIS 31 H HIS 31 0.639 4.940 0.368 205 HA HIS 31 HA HIS 31 3.353 5.616 0.789 206 HB2 HIS 31 1HB HIS 31 2.935 3.435 1.399 207 HB3 HIS 31 2HB HIS 31 1.869 3.143 0.028 208 HD1 HIS 31 HD1 HIS 31 5.551 3.413 0.848 209 HD2 HIS 31 HD2 HIS 31 3.053 1.928 -2.121 210 HE1 HIS 31 HE1 HIS 31 7.045 2.111 -0.699 211 H GLN 32 H GLN 32 1.441 5.029 -2.107 212 HA GLN 32 HA GLN 32 3.428 4.792 -4.010 213 HB2 GLN 32 1HB GLN 32 0.749 6.171 -4.232 214 HB3 GLN 32 2HB GLN 32 1.771 5.769 -5.605 215 HG2 GLN 32 1HG GLN 32 1.502 3.452 -5.252 216 HG3 GLN 32 2HG GLN 32 0.787 3.705 -3.660 217 HE21 GLN 32 1HE2 GLN 32 -0.681 2.144 -5.023 218 HE22 GLN 32 2HE2 GLN 32 -2.035 2.916 -5.766 219 H ARG 33 H ARG 33 2.675 7.485 -2.066 220 HA ARG 33 HA ARG 33 3.370 9.640 -3.683 221 HB2 ARG 33 1HB ARG 33 3.661 9.194 -0.716 222 HB3 ARG 33 2HB ARG 33 4.072 10.723 -1.482 223 HG2 ARG 33 1HG ARG 33 1.761 10.886 -2.326 224 HG3 ARG 33 2HG ARG 33 1.369 9.397 -1.462 225 HD2 ARG 33 1HD ARG 33 1.918 10.454 0.653 226 HD3 ARG 33 2HD ARG 33 2.403 11.927 -0.186 227 HE ARG 33 HE ARG 33 -0.293 11.172 -0.765 228 HH11 ARG 33 1HH1 ARG 33 1.754 12.771 1.553 229 HH12 ARG 33 2HH1 ARG 33 0.485 13.770 2.180 230 HH21 ARG 33 1HH2 ARG 33 -1.972 12.483 0.051 231 HH22 ARG 33 2HH2 ARG 33 -1.634 13.605 1.325 232 H VAL 34 H VAL 34 5.367 7.266 -2.093 233 HA VAL 34 HA VAL 34 7.828 8.685 -2.320 234 HB VAL 34 HB VAL 34 8.898 6.503 -1.867 235 HG11 VAL 34 1HG1 VAL 34 7.585 6.077 0.332 236 HG12 VAL 34 2HG1 VAL 34 8.388 7.630 0.090 237 HG13 VAL 34 3HG1 VAL 34 6.648 7.486 -0.160 238 HG21 VAL 34 3HG2 VAL 34 6.842 4.813 -1.179 239 HG22 VAL 34 1HG2 VAL 34 6.274 5.533 -2.685 240 HG23 VAL 34 2HG2 VAL 34 7.826 4.697 -2.637 241 H HIS 35 H HIS 35 5.881 6.986 -4.544 242 HA HIS 35 HA HIS 35 8.123 6.603 -6.399 243 HB2 HIS 35 1HB HIS 35 5.278 5.598 -6.611 244 HB3 HIS 35 2HB HIS 35 6.606 5.191 -7.693 245 HD1 HIS 35 HD1 HIS 35 8.734 4.670 -5.424 246 HD2 HIS 35 HD2 HIS 35 4.899 3.078 -5.571 247 HE1 HIS 35 HE1 HIS 35 8.819 2.580 -4.027 248 H THR 36 H THR 36 6.793 9.192 -5.704 249 HA THR 36 HA THR 36 6.602 10.200 -8.386 250 HB THR 36 HB THR 36 4.351 9.614 -8.413 251 HG1 THR 36 HG1 THR 36 4.034 12.116 -7.148 252 HG21 THR 36 3HG2 THR 36 2.989 10.407 -6.217 253 HG22 THR 36 1HG2 THR 36 4.539 9.980 -5.491 254 HG23 THR 36 2HG2 THR 36 3.645 8.784 -6.430 255 H GLY 37 H GLY 37 6.773 12.459 -8.498 256 HA2 GLY 37 1HA GLY 37 7.033 14.626 -7.679 257 HA3 GLY 37 2HA GLY 37 6.757 14.018 -6.053 258 H GLU 38 H GLU 38 9.124 12.620 -8.216 259 HA GLU 38 HA GLU 38 11.339 14.115 -7.193 260 HB2 GLU 38 1HB GLU 38 10.581 12.357 -5.381 261 HB3 GLU 38 2HB GLU 38 11.444 11.230 -6.418 262 HG2 GLU 38 1HG GLU 38 13.483 12.141 -5.955 263 HG3 GLU 38 2HG GLU 38 12.817 13.739 -5.621 264 H LYS 39 H LYS 39 13.465 12.772 -7.763 265 HA LYS 39 HA LYS 39 13.633 12.618 -10.515 266 HB2 LYS 39 1HB LYS 39 15.463 12.603 -8.596 267 HB3 LYS 39 2HB LYS 39 15.421 10.869 -8.887 268 HG2 LYS 39 1HG LYS 39 16.186 11.097 -11.079 269 HG3 LYS 39 2HG LYS 39 15.787 12.815 -11.135 270 HD2 LYS 39 1HD LYS 39 18.125 12.742 -10.915 271 HD3 LYS 39 2HD LYS 39 17.528 13.110 -9.295 272 HE2 LYS 39 1HE LYS 39 17.578 10.482 -9.059 273 HE3 LYS 39 2HE LYS 39 18.771 10.617 -10.350 274 HZ1 LYS 39 3HZ LYS 39 18.919 12.082 -7.772 275 HZ2 LYS 39 1HZ LYS 39 20.097 12.048 -8.985 276 HZ3 LYS 39 2HZ LYS 39 19.750 10.647 -8.106 277 HA PRO 40 HA PRO 40 11.724 8.798 -11.604 278 HB2 PRO 40 1HB PRO 40 12.887 8.440 -14.031 279 HB3 PRO 40 2HB PRO 40 11.620 9.638 -13.740 280 HG2 PRO 40 1HG PRO 40 14.587 10.014 -13.878 281 HG3 PRO 40 2HG PRO 40 13.299 11.017 -14.570 282 HD2 PRO 40 1HD PRO 40 14.575 11.667 -12.272 283 HD3 PRO 40 2HD PRO 40 12.872 12.074 -12.567 284 H SER 41 H SER 41 12.950 7.708 -9.847 285 HA SER 41 HA SER 41 14.573 6.279 -9.028 286 HB2 SER 41 1HB SER 41 14.463 4.109 -10.154 287 HB3 SER 41 2HB SER 41 12.858 4.834 -10.065 288 HG SER 41 HG SER 41 14.384 5.367 -12.334 289 H GLY 42 H GLY 42 15.831 8.368 -10.403 290 HA2 GLY 42 1HA GLY 42 17.552 7.941 -12.430 291 HA3 GLY 42 2HA GLY 42 18.031 8.814 -10.983 292 HA PRO 43 HA PRO 43 20.168 4.527 -11.529 293 HB2 PRO 43 1HB PRO 43 22.293 5.178 -13.088 294 HB3 PRO 43 2HB PRO 43 20.764 4.587 -13.748 295 HG2 PRO 43 1HG PRO 43 21.775 7.396 -13.536 296 HG3 PRO 43 2HG PRO 43 20.944 6.606 -14.887 297 HD2 PRO 43 1HD PRO 43 19.671 8.255 -13.158 298 HD3 PRO 43 2HD PRO 43 18.864 6.874 -13.930 299 H SER 44 H SER 44 22.006 3.951 -10.350 300 HA SER 44 HA SER 44 23.495 6.173 -9.116 301 HB2 SER 44 1HB SER 44 22.556 3.664 -7.702 302 HB3 SER 44 2HB SER 44 23.473 4.987 -6.980 303 HG SER 44 HG SER 44 20.825 5.057 -7.989 304 H SER 45 H SER 45 25.571 6.040 -9.609 305 HA SER 45 HA SER 45 26.820 3.949 -10.914 306 HB2 SER 45 1HB SER 45 28.946 5.028 -10.303 307 HB3 SER 45 2HB SER 45 27.751 6.221 -10.810 308 HG SER 45 HG SER 45 28.357 5.545 -8.119 309 H GLY 46 H GLY 46 26.741 1.916 -10.135 310 HA2 GLY 46 1HA GLY 46 28.266 0.513 -8.693 311 HA3 GLY 46 2HA GLY 46 27.662 1.488 -7.361 Start of MODEL 17 1 H1 GLY 1 H GLY 1 18.629 -17.540 18.622 2 HA2 GLY 1 1HA GLY 1 16.448 -18.098 16.865 3 HA3 GLY 1 2HA GLY 1 16.366 -17.971 18.616 4 H SER 2 H SER 2 14.779 -16.866 16.210 5 HA SER 2 HA SER 2 14.538 -14.152 17.310 6 HB2 SER 2 1HB SER 2 15.805 -14.172 15.117 7 HB3 SER 2 2HB SER 2 14.325 -14.756 14.355 8 HG SER 2 HG SER 2 13.485 -12.742 15.646 9 H SER 3 H SER 3 12.650 -14.409 18.373 10 HA SER 3 HA SER 3 10.399 -15.665 16.977 11 HB2 SER 3 1HB SER 3 10.909 -15.002 19.874 12 HB3 SER 3 2HB SER 3 9.307 -15.450 19.290 13 HG SER 3 HG SER 3 9.946 -17.436 19.403 14 H GLY 4 H GLY 4 8.201 -14.600 17.622 15 HA2 GLY 4 1HA GLY 4 6.907 -12.647 17.875 16 HA3 GLY 4 2HA GLY 4 8.366 -11.684 17.695 17 H SER 5 H SER 5 6.240 -13.859 15.851 18 HA SER 5 HA SER 5 7.108 -13.043 13.304 19 HB2 SER 5 1HB SER 5 5.824 -15.108 13.677 20 HB3 SER 5 2HB SER 5 4.410 -14.153 14.122 21 HG SER 5 HG SER 5 5.661 -13.729 11.642 22 H SER 6 H SER 6 6.088 -11.689 11.757 23 HA SER 6 HA SER 6 4.821 -9.354 12.975 24 HB2 SER 6 1HB SER 6 6.859 -9.188 11.444 25 HB3 SER 6 2HB SER 6 5.768 -9.596 10.119 26 HG SER 6 HG SER 6 4.955 -7.554 11.816 27 H GLY 7 H GLY 7 4.393 -11.358 10.050 28 HA2 GLY 7 1HA GLY 7 2.132 -12.333 9.747 29 HA3 GLY 7 2HA GLY 7 1.502 -10.762 10.219 30 H THR 8 H THR 8 1.943 -12.699 7.650 31 HA THR 8 HA THR 8 2.191 -10.417 5.800 32 HB THR 8 HB THR 8 3.213 -11.899 4.148 33 HG1 THR 8 HG1 THR 8 2.537 -13.922 4.596 34 HG21 THR 8 3HG2 THR 8 5.018 -10.987 5.142 35 HG22 THR 8 1HG2 THR 8 5.245 -12.598 5.822 36 HG23 THR 8 2HG2 THR 8 4.431 -11.349 6.765 37 H GLY 9 H GLY 9 -0.256 -11.317 6.899 38 HA2 GLY 9 1HA GLY 9 -1.710 -13.176 5.487 39 HA3 GLY 9 2HA GLY 9 -2.398 -11.704 6.158 40 H GLU 10 H GLU 10 -2.648 -13.335 3.535 41 HA GLU 10 HA GLU 10 -1.774 -11.899 1.354 42 HB2 GLU 10 1HB GLU 10 -3.044 -14.102 1.383 43 HB3 GLU 10 2HB GLU 10 -4.515 -13.147 1.514 44 HG2 GLU 10 1HG GLU 10 -2.560 -12.678 -0.702 45 HG3 GLU 10 2HG GLU 10 -3.773 -13.953 -0.803 46 H LYS 11 H LYS 11 -1.937 -9.787 1.015 47 HA LYS 11 HA LYS 11 -4.312 -8.346 1.930 48 HB2 LYS 11 1HB LYS 11 -1.608 -7.419 0.960 49 HB3 LYS 11 2HB LYS 11 -2.938 -6.315 1.287 50 HG2 LYS 11 1HG LYS 11 -2.911 -6.784 3.582 51 HG3 LYS 11 2HG LYS 11 -1.931 -8.235 3.360 52 HD2 LYS 11 1HD LYS 11 0.004 -6.965 2.866 53 HD3 LYS 11 2HD LYS 11 -0.930 -5.480 2.676 54 HE2 LYS 11 1HE LYS 11 -1.526 -5.625 5.088 55 HE3 LYS 11 2HE LYS 11 -0.441 -7.007 5.230 56 HZ1 LYS 11 3HZ LYS 11 1.322 -5.676 5.318 57 HZ2 LYS 11 1HZ LYS 11 0.246 -4.391 5.548 58 HZ3 LYS 11 2HZ LYS 11 0.813 -4.751 3.996 59 HA PRO 12 HA PRO 12 -6.047 -8.129 -2.113 60 HB2 PRO 12 1HB PRO 12 -7.636 -5.955 -1.766 61 HB3 PRO 12 2HB PRO 12 -8.008 -7.538 -1.073 62 HG2 PRO 12 1HG PRO 12 -6.753 -5.150 0.225 63 HG3 PRO 12 2HG PRO 12 -7.998 -6.242 0.858 64 HD2 PRO 12 1HD PRO 12 -5.391 -6.440 1.563 65 HD3 PRO 12 2HD PRO 12 -6.461 -7.853 1.454 66 H PHE 13 H PHE 13 -4.455 -5.357 -0.670 67 HA PHE 13 HA PHE 13 -4.168 -4.085 -3.291 68 HB2 PHE 13 1HB PHE 13 -3.151 -2.943 -0.702 69 HB3 PHE 13 2HB PHE 13 -3.624 -2.095 -2.170 70 HD1 PHE 13 HD1 PHE 13 -6.203 -2.690 -2.841 71 HD2 PHE 13 HD2 PHE 13 -4.546 -2.647 1.080 72 HE1 PHE 13 HE1 PHE 13 -8.445 -2.312 -1.901 73 HE2 PHE 13 HE2 PHE 13 -6.785 -2.270 2.026 74 HZ PHE 13 HZ PHE 13 -8.739 -2.103 0.536 75 H LYS 14 H LYS 14 -2.124 -3.475 -4.111 76 HA LYS 14 HA LYS 14 0.281 -4.428 -2.825 77 HB2 LYS 14 1HB LYS 14 -0.773 -6.401 -4.090 78 HB3 LYS 14 2HB LYS 14 -0.340 -5.533 -5.557 79 HG2 LYS 14 1HG LYS 14 2.029 -5.503 -4.699 80 HG3 LYS 14 2HG LYS 14 1.498 -6.630 -3.449 81 HD2 LYS 14 1HD LYS 14 0.542 -7.955 -5.510 82 HD3 LYS 14 2HD LYS 14 1.764 -7.037 -6.391 83 HE2 LYS 14 1HE LYS 14 2.926 -8.945 -5.808 84 HE3 LYS 14 2HE LYS 14 3.353 -7.844 -4.499 85 HZ1 LYS 14 3HZ LYS 14 2.796 -9.845 -3.462 86 HZ2 LYS 14 1HZ LYS 14 1.441 -10.099 -4.442 87 HZ3 LYS 14 2HZ LYS 14 1.418 -8.884 -3.265 88 H CYS 15 H CYS 15 1.879 -3.053 -3.249 89 HA CYS 15 HA CYS 15 1.489 -0.956 -5.185 90 HB2 CYS 15 1HB CYS 15 2.506 -0.537 -2.958 91 HB3 CYS 15 2HB CYS 15 3.886 -1.525 -3.429 92 H GLY 16 H GLY 16 1.771 -1.479 -7.269 93 HA2 GLY 16 1HA GLY 16 3.581 -3.483 -8.170 94 HA3 GLY 16 2HA GLY 16 2.715 -2.338 -9.183 95 H GLU 17 H GLU 17 3.947 -0.131 -7.465 96 HA GLU 17 HA GLU 17 6.061 0.513 -9.198 97 HB2 GLU 17 1HB GLU 17 5.287 1.589 -6.489 98 HB3 GLU 17 2HB GLU 17 6.605 2.260 -7.438 99 HG2 GLU 17 1HG GLU 17 3.703 2.145 -8.221 100 HG3 GLU 17 2HG GLU 17 4.619 3.576 -7.754 101 H CYS 18 H CYS 18 6.125 -0.596 -5.814 102 HA CYS 18 HA CYS 18 8.944 -1.358 -6.213 103 HB2 CYS 18 1HB CYS 18 9.259 -1.092 -3.812 104 HB3 CYS 18 2HB CYS 18 8.611 0.392 -4.502 105 H GLY 19 H GLY 19 5.890 -2.313 -4.681 106 HA2 GLY 19 1HA GLY 19 5.274 -4.693 -5.154 107 HA3 GLY 19 2HA GLY 19 6.903 -5.089 -4.626 108 H LYS 20 H LYS 20 5.402 -2.553 -2.905 109 HA LYS 20 HA LYS 20 5.148 -4.294 -0.573 110 HB2 LYS 20 1HB LYS 20 5.447 -1.349 -0.985 111 HB3 LYS 20 2HB LYS 20 4.710 -1.926 0.504 112 HG2 LYS 20 1HG LYS 20 6.722 -3.308 0.912 113 HG3 LYS 20 2HG LYS 20 7.460 -2.592 -0.522 114 HD2 LYS 20 1HD LYS 20 6.371 -0.760 1.551 115 HD3 LYS 20 2HD LYS 20 7.876 -1.611 1.905 116 HE2 LYS 20 1HE LYS 20 7.379 0.048 -0.564 117 HE3 LYS 20 2HE LYS 20 8.210 0.626 0.879 118 HZ1 LYS 20 3HZ LYS 20 9.213 -1.842 -0.294 119 HZ2 LYS 20 1HZ LYS 20 10.058 -0.549 0.398 120 HZ3 LYS 20 2HZ LYS 20 9.478 -0.429 -1.186 121 H SER 21 H SER 21 3.245 -4.998 0.124 122 HA SER 21 HA SER 21 0.812 -3.811 -1.000 123 HB2 SER 21 1HB SER 21 -0.226 -5.941 0.052 124 HB3 SER 21 2HB SER 21 0.777 -6.124 -1.386 125 HG SER 21 HG SER 21 2.057 -6.254 1.082 126 H TYR 22 H TYR 22 -1.129 -3.867 0.515 127 HA TYR 22 HA TYR 22 -0.473 -3.378 3.309 128 HB2 TYR 22 1HB TYR 22 -1.727 -1.287 1.522 129 HB3 TYR 22 2HB TYR 22 -1.710 -1.199 3.280 130 HD1 TYR 22 HD2 TYR 22 0.510 -1.349 0.304 131 HD2 TYR 22 HD1 TYR 22 0.140 -0.305 4.412 132 HE1 TYR 22 HE2 TYR 22 2.717 -0.265 0.222 133 HE2 TYR 22 HE1 TYR 22 2.344 0.783 4.341 134 HH TYR 22 HH TYR 22 4.367 0.763 3.053 135 H ASN 23 H ASN 23 -2.414 -3.150 4.660 136 HA ASN 23 HA ASN 23 -4.499 -4.936 3.714 137 HB2 ASN 23 1HB ASN 23 -3.837 -5.501 5.883 138 HB3 ASN 23 2HB ASN 23 -3.730 -3.818 6.392 139 HD21 ASN 23 1HD2 ASN 23 -5.397 -2.953 7.431 140 HD22 ASN 23 2HD2 ASN 23 -6.953 -3.683 7.607 141 H GLN 24 H GLN 24 -3.975 -1.587 4.041 142 HA GLN 24 HA GLN 24 -6.850 -1.086 3.641 143 HB2 GLN 24 1HB GLN 24 -4.860 0.335 5.361 144 HB3 GLN 24 2HB GLN 24 -6.171 1.257 4.637 145 HG2 GLN 24 1HG GLN 24 -7.701 -0.553 5.648 146 HG3 GLN 24 2HG GLN 24 -6.306 -0.947 6.650 147 HE21 GLN 24 1HE2 GLN 24 -7.101 -0.277 8.577 148 HE22 GLN 24 2HE2 GLN 24 -7.488 1.367 8.943 149 H ARG 25 H ARG 25 -7.400 0.665 2.254 150 HA ARG 25 HA ARG 25 -5.669 0.900 -0.002 151 HB2 ARG 25 1HB ARG 25 -8.213 2.408 0.627 152 HB3 ARG 25 2HB ARG 25 -7.425 2.323 -0.943 153 HG2 ARG 25 1HG ARG 25 -7.869 -0.046 -1.082 154 HG3 ARG 25 2HG ARG 25 -8.559 -0.037 0.543 155 HD2 ARG 25 1HD ARG 25 -10.465 0.087 -0.722 156 HD3 ARG 25 2HD ARG 25 -10.128 1.801 -0.478 157 HE ARG 25 HE ARG 25 -9.942 0.319 -2.957 158 HH11 ARG 25 1HH1 ARG 25 -9.102 3.217 -1.219 159 HH12 ARG 25 2HH1 ARG 25 -8.830 4.153 -2.651 160 HH21 ARG 25 1HH2 ARG 25 -9.586 1.542 -4.850 161 HH22 ARG 25 2HH2 ARG 25 -9.106 3.200 -4.716 162 H VAL 26 H VAL 26 -6.896 3.256 2.373 163 HA VAL 26 HA VAL 26 -5.597 5.518 1.476 164 HB VAL 26 HB VAL 26 -7.178 5.759 3.231 165 HG11 VAL 26 1HG1 VAL 26 -5.572 4.526 5.365 166 HG12 VAL 26 2HG1 VAL 26 -7.315 4.498 5.092 167 HG13 VAL 26 3HG1 VAL 26 -6.263 3.403 4.195 168 HG21 VAL 26 3HG2 VAL 26 -4.472 6.331 4.435 169 HG22 VAL 26 1HG2 VAL 26 -5.273 7.343 3.233 170 HG23 VAL 26 2HG2 VAL 26 -5.996 7.127 4.827 171 H HIS 27 H HIS 27 -4.259 2.720 2.974 172 HA HIS 27 HA HIS 27 -1.798 4.017 3.770 173 HB2 HIS 27 1HB HIS 27 -2.938 1.275 3.977 174 HB3 HIS 27 2HB HIS 27 -1.183 1.428 4.002 175 HD1 HIS 27 HD1 HIS 27 -1.080 0.693 6.477 176 HD2 HIS 27 HD2 HIS 27 -3.298 4.145 5.822 177 HE1 HIS 27 HE1 HIS 27 -1.446 1.699 8.752 178 H LEU 28 H LEU 28 -3.038 2.268 1.040 179 HA LEU 28 HA LEU 28 -0.456 1.717 -0.108 180 HB2 LEU 28 1HB LEU 28 -2.315 0.236 -0.559 181 HB3 LEU 28 2HB LEU 28 -3.238 1.565 -1.258 182 HG LEU 28 HG LEU 28 -1.606 1.701 -3.098 183 HD11 LEU 28 1HD1 LEU 28 -0.391 -0.722 -1.779 184 HD12 LEU 28 2HD1 LEU 28 0.359 0.863 -1.965 185 HD13 LEU 28 3HD1 LEU 28 0.019 -0.122 -3.387 186 HD21 LEU 28 3HD2 LEU 28 -3.617 -0.142 -2.731 187 HD22 LEU 28 1HD2 LEU 28 -2.258 -1.130 -3.266 188 HD23 LEU 28 2HD2 LEU 28 -2.809 0.221 -4.257 189 H THR 29 H THR 29 -3.182 3.810 -1.066 190 HA THR 29 HA THR 29 -1.934 5.141 -3.152 191 HB THR 29 HB THR 29 -4.378 5.290 -2.486 192 HG1 THR 29 HG1 THR 29 -4.462 7.548 -3.219 193 HG21 THR 29 3HG2 THR 29 -3.959 5.930 -0.124 194 HG22 THR 29 1HG2 THR 29 -5.042 7.043 -0.960 195 HG23 THR 29 2HG2 THR 29 -3.359 7.490 -0.686 196 H GLN 30 H GLN 30 -2.050 6.034 0.288 197 HA GLN 30 HA GLN 30 -0.550 8.410 0.030 198 HB2 GLN 30 1HB GLN 30 -1.114 6.587 2.360 199 HB3 GLN 30 2HB GLN 30 -0.127 8.033 2.528 200 HG2 GLN 30 1HG GLN 30 -2.896 8.134 1.387 201 HG3 GLN 30 2HG GLN 30 -2.596 8.202 3.122 202 HE21 GLN 30 1HE2 GLN 30 -2.506 10.164 3.920 203 HE22 GLN 30 2HE2 GLN 30 -2.000 11.588 3.083 204 H HIS 31 H HIS 31 0.357 5.056 0.391 205 HA HIS 31 HA HIS 31 3.087 5.541 1.064 206 HB2 HIS 31 1HB HIS 31 2.400 3.417 1.695 207 HB3 HIS 31 2HB HIS 31 1.500 3.152 0.205 208 HD1 HIS 31 HD1 HIS 31 5.094 3.329 1.408 209 HD2 HIS 31 HD2 HIS 31 2.831 1.695 -1.670 210 HE1 HIS 31 HE1 HIS 31 6.677 1.865 0.113 211 H GLN 32 H GLN 32 1.325 5.024 -1.939 212 HA GLN 32 HA GLN 32 3.488 4.648 -3.663 213 HB2 GLN 32 1HB GLN 32 0.764 5.859 -4.113 214 HB3 GLN 32 2HB GLN 32 1.915 5.605 -5.417 215 HG2 GLN 32 1HG GLN 32 1.944 3.196 -4.870 216 HG3 GLN 32 2HG GLN 32 0.702 3.491 -3.654 217 HE21 GLN 32 1HE2 GLN 32 -0.520 1.926 -4.901 218 HE22 GLN 32 2HE2 GLN 32 -1.406 2.457 -6.285 219 H ARG 33 H ARG 33 2.443 7.451 -1.994 220 HA ARG 33 HA ARG 33 3.248 9.520 -3.650 221 HB2 ARG 33 1HB ARG 33 3.262 9.233 -0.653 222 HB3 ARG 33 2HB ARG 33 3.768 10.722 -1.440 223 HG2 ARG 33 1HG ARG 33 1.513 10.698 -2.603 224 HG3 ARG 33 2HG ARG 33 1.058 9.436 -1.458 225 HD2 ARG 33 1HD ARG 33 1.961 12.236 -0.799 226 HD3 ARG 33 2HD ARG 33 0.329 11.589 -0.636 227 HE ARG 33 HE ARG 33 1.790 9.939 0.921 228 HH11 ARG 33 1HH1 ARG 33 1.516 13.404 0.730 229 HH12 ARG 33 2HH1 ARG 33 1.851 13.654 2.411 230 HH21 ARG 33 1HH2 ARG 33 2.232 10.255 3.137 231 HH22 ARG 33 2HH2 ARG 33 2.259 11.863 3.779 232 H VAL 34 H VAL 34 5.147 7.100 -2.208 233 HA VAL 34 HA VAL 34 7.600 8.603 -2.078 234 HB VAL 34 HB VAL 34 8.657 6.613 -1.385 235 HG11 VAL 34 1HG1 VAL 34 7.482 7.098 0.484 236 HG12 VAL 34 2HG1 VAL 34 5.930 7.088 -0.356 237 HG13 VAL 34 3HG1 VAL 34 6.690 5.567 0.113 238 HG21 VAL 34 3HG2 VAL 34 7.706 4.387 -1.654 239 HG22 VAL 34 1HG2 VAL 34 6.289 5.075 -2.447 240 HG23 VAL 34 2HG2 VAL 34 7.871 5.184 -3.219 241 H HIS 35 H HIS 35 5.939 6.652 -4.425 242 HA HIS 35 HA HIS 35 8.290 6.657 -6.180 243 HB2 HIS 35 1HB HIS 35 5.686 5.255 -6.746 244 HB3 HIS 35 2HB HIS 35 7.281 4.911 -7.409 245 HD1 HIS 35 HD1 HIS 35 9.061 4.107 -5.403 246 HD2 HIS 35 HD2 HIS 35 4.992 3.531 -4.792 247 HE1 HIS 35 HE1 HIS 35 8.892 2.350 -3.611 248 H THR 36 H THR 36 5.176 8.073 -5.744 249 HA THR 36 HA THR 36 4.586 8.864 -8.367 250 HB THR 36 HB THR 36 3.120 10.543 -7.401 251 HG1 THR 36 HG1 THR 36 3.287 11.174 -5.308 252 HG21 THR 36 3HG2 THR 36 1.680 8.945 -6.812 253 HG22 THR 36 1HG2 THR 36 2.585 8.602 -5.337 254 HG23 THR 36 2HG2 THR 36 3.021 7.800 -6.846 255 H GLY 37 H GLY 37 5.456 10.333 -9.683 256 HA2 GLY 37 1HA GLY 37 6.920 11.930 -10.458 257 HA3 GLY 37 2HA GLY 37 6.370 12.854 -9.068 258 H GLU 38 H GLU 38 8.417 9.962 -9.479 259 HA GLU 38 HA GLU 38 10.526 11.374 -7.986 260 HB2 GLU 38 1HB GLU 38 9.226 9.524 -6.731 261 HB3 GLU 38 2HB GLU 38 10.102 8.407 -7.767 262 HG2 GLU 38 1HG GLU 38 11.205 8.651 -5.624 263 HG3 GLU 38 2HG GLU 38 12.219 9.268 -6.927 264 H LYS 39 H LYS 39 11.449 11.916 -10.032 265 HA LYS 39 HA LYS 39 12.073 10.351 -12.154 266 HB2 LYS 39 1HB LYS 39 13.652 12.520 -10.800 267 HB3 LYS 39 2HB LYS 39 14.280 11.711 -12.230 268 HG2 LYS 39 1HG LYS 39 12.061 12.330 -13.335 269 HG3 LYS 39 2HG LYS 39 11.839 13.429 -11.972 270 HD2 LYS 39 1HD LYS 39 14.282 14.182 -12.622 271 HD3 LYS 39 2HD LYS 39 13.822 13.525 -14.194 272 HE2 LYS 39 1HE LYS 39 13.322 15.880 -14.142 273 HE3 LYS 39 2HE LYS 39 11.813 14.970 -14.162 274 HZ1 LYS 39 3HZ LYS 39 12.036 16.914 -12.538 275 HZ2 LYS 39 1HZ LYS 39 13.000 15.873 -11.616 276 HZ3 LYS 39 2HZ LYS 39 11.394 15.463 -11.951 277 HA PRO 40 HA PRO 40 14.695 7.083 -10.817 278 HB2 PRO 40 1HB PRO 40 16.012 6.577 -13.136 279 HB3 PRO 40 2HB PRO 40 14.321 6.134 -12.876 280 HG2 PRO 40 1HG PRO 40 15.459 8.497 -14.318 281 HG3 PRO 40 2HG PRO 40 14.107 7.448 -14.782 282 HD2 PRO 40 1HD PRO 40 13.742 9.883 -13.655 283 HD3 PRO 40 2HD PRO 40 12.625 8.529 -13.386 284 H SER 41 H SER 41 16.963 6.469 -10.593 285 HA SER 41 HA SER 41 18.604 8.756 -9.999 286 HB2 SER 41 1HB SER 41 18.927 5.785 -9.646 287 HB3 SER 41 2HB SER 41 20.278 6.883 -9.367 288 HG SER 41 HG SER 41 17.854 7.529 -8.165 289 H GLY 42 H GLY 42 18.892 5.948 -12.174 290 HA2 GLY 42 1HA GLY 42 20.308 7.571 -14.108 291 HA3 GLY 42 2HA GLY 42 21.288 6.320 -13.357 292 HA PRO 43 HA PRO 43 19.831 3.319 -16.192 293 HB2 PRO 43 1HB PRO 43 19.494 1.114 -14.645 294 HB3 PRO 43 2HB PRO 43 21.085 1.757 -15.067 295 HG2 PRO 43 1HG PRO 43 19.506 2.111 -12.548 296 HG3 PRO 43 2HG PRO 43 21.238 1.787 -12.746 297 HD2 PRO 43 1HD PRO 43 20.268 4.262 -12.227 298 HD3 PRO 43 2HD PRO 43 21.726 3.993 -13.205 299 H SER 44 H SER 44 17.825 4.097 -16.854 300 HA SER 44 HA SER 44 15.522 2.785 -15.588 301 HB2 SER 44 1HB SER 44 14.171 4.825 -15.935 302 HB3 SER 44 2HB SER 44 15.516 5.112 -14.832 303 HG SER 44 HG SER 44 16.617 5.782 -16.931 304 H SER 45 H SER 45 15.510 1.244 -17.237 305 HA SER 45 HA SER 45 15.253 2.136 -19.994 306 HB2 SER 45 1HB SER 45 15.174 -0.330 -20.481 307 HB3 SER 45 2HB SER 45 16.639 0.197 -19.653 308 HG SER 45 HG SER 45 15.873 -1.637 -18.635 309 H GLY 46 H GLY 46 13.398 2.254 -21.112 310 HA2 GLY 46 1HA GLY 46 11.013 0.890 -20.112 311 HA3 GLY 46 2HA GLY 46 10.950 2.644 -20.204 Start of MODEL 18 1 H1 GLY 1 H GLY 1 21.392 -6.659 -2.446 2 HA2 GLY 1 1HA GLY 1 20.637 -9.168 -3.794 3 HA3 GLY 1 2HA GLY 1 21.055 -9.178 -2.087 4 H SER 2 H SER 2 19.195 -9.606 -1.069 5 HA SER 2 HA SER 2 17.015 -7.686 -1.376 6 HB2 SER 2 1HB SER 2 15.316 -9.360 -1.623 7 HB3 SER 2 2HB SER 2 16.544 -9.685 -2.847 8 HG SER 2 HG SER 2 16.490 -10.959 -0.316 9 H SER 3 H SER 3 15.579 -7.607 0.429 10 HA SER 3 HA SER 3 16.895 -8.388 2.909 11 HB2 SER 3 1HB SER 3 14.580 -6.546 2.299 12 HB3 SER 3 2HB SER 3 15.066 -6.954 3.944 13 HG SER 3 HG SER 3 17.066 -6.022 3.551 14 H GLY 4 H GLY 4 16.191 -9.935 4.257 15 HA2 GLY 4 1HA GLY 4 14.293 -11.837 3.390 16 HA3 GLY 4 2HA GLY 4 15.007 -11.759 4.994 17 H SER 5 H SER 5 12.164 -11.634 3.336 18 HA SER 5 HA SER 5 10.722 -10.725 5.659 19 HB2 SER 5 1HB SER 5 9.577 -8.879 4.662 20 HB3 SER 5 2HB SER 5 11.297 -8.616 4.373 21 HG SER 5 HG SER 5 9.867 -8.308 2.518 22 H SER 6 H SER 6 8.837 -11.777 5.834 23 HA SER 6 HA SER 6 7.363 -12.669 3.524 24 HB2 SER 6 1HB SER 6 8.930 -14.485 3.587 25 HB3 SER 6 2HB SER 6 8.749 -14.657 5.332 26 HG SER 6 HG SER 6 7.205 -15.999 4.900 27 H GLY 7 H GLY 7 5.251 -12.661 3.974 28 HA2 GLY 7 1HA GLY 7 4.244 -13.395 6.575 29 HA3 GLY 7 2HA GLY 7 4.113 -11.676 6.234 30 H THR 8 H THR 8 2.748 -14.758 5.765 31 HA THR 8 HA THR 8 1.304 -14.524 3.425 32 HB THR 8 HB THR 8 -0.453 -15.954 4.614 33 HG1 THR 8 HG1 THR 8 1.450 -16.301 6.649 34 HG21 THR 8 3HG2 THR 8 0.999 -17.231 3.376 35 HG22 THR 8 1HG2 THR 8 1.370 -17.826 4.994 36 HG23 THR 8 2HG2 THR 8 2.423 -16.636 4.229 37 H GLY 9 H GLY 9 -0.902 -13.941 3.002 38 HA2 GLY 9 1HA GLY 9 -2.768 -12.779 4.572 39 HA3 GLY 9 2HA GLY 9 -1.631 -11.465 4.307 40 H GLU 10 H GLU 10 -0.895 -11.927 1.677 41 HA GLU 10 HA GLU 10 -1.531 -11.345 -0.430 42 HB2 GLU 10 1HB GLU 10 -3.819 -13.144 0.365 43 HB3 GLU 10 2HB GLU 10 -3.649 -12.479 -1.254 44 HG2 GLU 10 1HG GLU 10 -1.579 -14.185 0.107 45 HG3 GLU 10 2HG GLU 10 -2.797 -14.791 -1.014 46 H LYS 11 H LYS 11 -2.019 -9.371 1.399 47 HA LYS 11 HA LYS 11 -4.420 -8.264 1.830 48 HB2 LYS 11 1HB LYS 11 -2.004 -6.823 0.721 49 HB3 LYS 11 2HB LYS 11 -3.389 -6.026 1.456 50 HG2 LYS 11 1HG LYS 11 -2.837 -6.711 3.573 51 HG3 LYS 11 2HG LYS 11 -1.949 -8.125 3.001 52 HD2 LYS 11 1HD LYS 11 -0.076 -6.842 2.401 53 HD3 LYS 11 2HD LYS 11 -0.987 -5.330 2.460 54 HE2 LYS 11 1HE LYS 11 0.144 -5.190 4.441 55 HE3 LYS 11 2HE LYS 11 -1.313 -6.021 4.981 56 HZ1 LYS 11 3HZ LYS 11 0.813 -7.001 5.788 57 HZ2 LYS 11 1HZ LYS 11 1.173 -7.432 4.192 58 HZ3 LYS 11 2HZ LYS 11 -0.182 -8.090 4.960 59 HA PRO 12 HA PRO 12 -6.580 -7.581 -1.932 60 HB2 PRO 12 1HB PRO 12 -7.980 -5.336 -1.324 61 HB3 PRO 12 2HB PRO 12 -8.365 -6.922 -0.645 62 HG2 PRO 12 1HG PRO 12 -6.822 -4.663 0.572 63 HG3 PRO 12 2HG PRO 12 -8.049 -5.708 1.313 64 HD2 PRO 12 1HD PRO 12 -5.394 -6.082 1.694 65 HD3 PRO 12 2HD PRO 12 -6.554 -7.426 1.666 66 H PHE 13 H PHE 13 -4.309 -5.317 -0.744 67 HA PHE 13 HA PHE 13 -4.214 -4.017 -3.385 68 HB2 PHE 13 1HB PHE 13 -3.460 -2.619 -0.822 69 HB3 PHE 13 2HB PHE 13 -3.729 -1.909 -2.410 70 HD1 PHE 13 HD1 PHE 13 -6.190 -2.497 -3.368 71 HD2 PHE 13 HD2 PHE 13 -5.087 -2.243 0.736 72 HE1 PHE 13 HE1 PHE 13 -8.533 -2.043 -2.769 73 HE2 PHE 13 HE2 PHE 13 -7.429 -1.790 1.341 74 HZ PHE 13 HZ PHE 13 -9.155 -1.690 -0.413 75 H LYS 14 H LYS 14 -2.178 -3.557 -4.217 76 HA LYS 14 HA LYS 14 0.199 -4.168 -2.689 77 HB2 LYS 14 1HB LYS 14 -0.607 -6.386 -3.536 78 HB3 LYS 14 2HB LYS 14 -0.402 -5.779 -5.174 79 HG2 LYS 14 1HG LYS 14 2.031 -5.303 -4.433 80 HG3 LYS 14 2HG LYS 14 1.674 -6.440 -3.131 81 HD2 LYS 14 1HD LYS 14 1.164 -8.176 -4.704 82 HD3 LYS 14 2HD LYS 14 1.274 -7.048 -6.057 83 HE2 LYS 14 1HE LYS 14 3.698 -6.669 -5.192 84 HE3 LYS 14 2HE LYS 14 3.455 -8.211 -4.372 85 HZ1 LYS 14 3HZ LYS 14 3.701 -7.642 -7.224 86 HZ2 LYS 14 1HZ LYS 14 2.644 -8.885 -6.776 87 HZ3 LYS 14 2HZ LYS 14 4.274 -8.959 -6.331 88 H CYS 15 H CYS 15 1.685 -2.721 -3.232 89 HA CYS 15 HA CYS 15 1.334 -0.995 -5.479 90 HB2 CYS 15 1HB CYS 15 2.324 0.083 -3.671 91 HB3 CYS 15 2HB CYS 15 3.389 -1.273 -3.316 92 H GLY 16 H GLY 16 2.447 -0.894 -7.390 93 HA2 GLY 16 1HA GLY 16 3.935 -3.321 -8.101 94 HA3 GLY 16 2HA GLY 16 3.203 -2.194 -9.233 95 H GLU 17 H GLU 17 4.368 0.092 -7.658 96 HA GLU 17 HA GLU 17 6.590 0.611 -9.216 97 HB2 GLU 17 1HB GLU 17 5.874 1.661 -6.477 98 HB3 GLU 17 2HB GLU 17 7.180 2.312 -7.456 99 HG2 GLU 17 1HG GLU 17 4.283 2.229 -8.266 100 HG3 GLU 17 2HG GLU 17 5.122 3.636 -7.613 101 H CYS 18 H CYS 18 6.633 -0.351 -5.779 102 HA CYS 18 HA CYS 18 9.352 -1.400 -6.206 103 HB2 CYS 18 1HB CYS 18 9.768 -1.028 -3.846 104 HB3 CYS 18 2HB CYS 18 9.183 0.463 -4.577 105 H GLY 19 H GLY 19 6.265 -2.014 -4.570 106 HA2 GLY 19 1HA GLY 19 5.419 -4.337 -4.885 107 HA3 GLY 19 2HA GLY 19 7.030 -4.866 -4.424 108 H LYS 20 H LYS 20 4.941 -2.366 -3.009 109 HA LYS 20 HA LYS 20 5.127 -3.809 -0.448 110 HB2 LYS 20 1HB LYS 20 5.119 -0.908 -1.152 111 HB3 LYS 20 2HB LYS 20 4.424 -1.395 0.389 112 HG2 LYS 20 1HG LYS 20 6.679 -2.695 0.651 113 HG3 LYS 20 2HG LYS 20 7.247 -1.529 -0.547 114 HD2 LYS 20 1HD LYS 20 6.239 0.256 0.989 115 HD3 LYS 20 2HD LYS 20 6.170 -1.016 2.211 116 HE2 LYS 20 1HE LYS 20 8.686 -1.357 1.511 117 HE3 LYS 20 2HE LYS 20 8.532 0.315 0.975 118 HZ1 LYS 20 3HZ LYS 20 9.072 0.760 3.090 119 HZ2 LYS 20 1HZ LYS 20 8.607 -0.764 3.659 120 HZ3 LYS 20 2HZ LYS 20 7.443 0.438 3.413 121 H SER 21 H SER 21 3.321 -4.620 0.381 122 HA SER 21 HA SER 21 0.755 -3.786 -0.781 123 HB2 SER 21 1HB SER 21 -0.097 -5.939 0.202 124 HB3 SER 21 2HB SER 21 1.151 -6.148 -1.026 125 HG SER 21 HG SER 21 2.171 -7.235 0.444 126 H TYR 22 H TYR 22 -1.074 -3.475 0.589 127 HA TYR 22 HA TYR 22 -0.506 -3.056 3.431 128 HB2 TYR 22 1HB TYR 22 -1.718 -0.979 1.596 129 HB3 TYR 22 2HB TYR 22 -1.677 -0.859 3.352 130 HD1 TYR 22 HD2 TYR 22 0.567 -1.231 0.399 131 HD2 TYR 22 HD1 TYR 22 0.135 0.158 4.398 132 HE1 TYR 22 HE2 TYR 22 2.789 -0.185 0.269 133 HE2 TYR 22 HE1 TYR 22 2.355 1.210 4.278 134 HH TYR 22 HH TYR 22 4.627 0.491 2.299 135 H ASN 23 H ASN 23 -2.071 -3.834 4.686 136 HA ASN 23 HA ASN 23 -4.249 -5.256 3.718 137 HB2 ASN 23 1HB ASN 23 -3.159 -5.287 6.061 138 HB3 ASN 23 2HB ASN 23 -4.269 -3.974 6.440 139 HD21 ASN 23 1HD2 ASN 23 -5.956 -4.674 7.512 140 HD22 ASN 23 2HD2 ASN 23 -6.789 -6.165 7.250 141 H GLN 24 H GLN 24 -3.879 -1.875 4.188 142 HA GLN 24 HA GLN 24 -6.769 -1.478 3.774 143 HB2 GLN 24 1HB GLN 24 -4.719 0.193 5.208 144 HB3 GLN 24 2HB GLN 24 -6.236 0.885 4.647 145 HG2 GLN 24 1HG GLN 24 -6.110 -1.520 6.439 146 HG3 GLN 24 2HG GLN 24 -6.163 0.133 7.050 147 HE21 GLN 24 1HE2 GLN 24 -7.931 -2.446 5.622 148 HE22 GLN 24 2HE2 GLN 24 -9.489 -1.702 5.680 149 H ARG 25 H ARG 25 -7.397 0.309 2.399 150 HA ARG 25 HA ARG 25 -5.732 0.454 0.047 151 HB2 ARG 25 1HB ARG 25 -8.367 0.316 0.277 152 HB3 ARG 25 2HB ARG 25 -8.225 2.068 0.331 153 HG2 ARG 25 1HG ARG 25 -6.820 0.609 -1.842 154 HG3 ARG 25 2HG ARG 25 -8.574 0.781 -1.935 155 HD2 ARG 25 1HD ARG 25 -6.673 3.080 -1.513 156 HD3 ARG 25 2HD ARG 25 -7.284 2.584 -3.091 157 HE ARG 25 HE ARG 25 -9.550 2.950 -1.711 158 HH11 ARG 25 1HH1 ARG 25 -6.704 4.925 -2.064 159 HH12 ARG 25 2HH1 ARG 25 -7.560 6.420 -1.875 160 HH21 ARG 25 1HH2 ARG 25 -10.687 4.912 -1.462 161 HH22 ARG 25 2HH2 ARG 25 -9.825 6.411 -1.532 162 H VAL 26 H VAL 26 -7.095 2.787 2.362 163 HA VAL 26 HA VAL 26 -5.960 5.097 1.275 164 HB VAL 26 HB VAL 26 -7.674 5.326 2.922 165 HG11 VAL 26 1HG1 VAL 26 -7.630 3.546 4.355 166 HG12 VAL 26 2HG1 VAL 26 -5.878 3.610 4.558 167 HG13 VAL 26 3HG1 VAL 26 -6.907 4.779 5.387 168 HG21 VAL 26 3HG2 VAL 26 -5.345 6.306 4.492 169 HG22 VAL 26 1HG2 VAL 26 -5.567 6.913 2.851 170 HG23 VAL 26 2HG2 VAL 26 -6.840 7.132 4.052 171 H HIS 27 H HIS 27 -4.487 2.493 2.905 172 HA HIS 27 HA HIS 27 -2.209 4.007 3.857 173 HB2 HIS 27 1HB HIS 27 -3.087 1.159 3.989 174 HB3 HIS 27 2HB HIS 27 -1.372 1.507 4.179 175 HD1 HIS 27 HD1 HIS 27 -2.402 0.354 6.603 176 HD2 HIS 27 HD2 HIS 27 -2.955 4.397 5.823 177 HE1 HIS 27 HE1 HIS 27 -2.845 1.415 8.840 178 H LEU 28 H LEU 28 -3.104 2.119 1.078 179 HA LEU 28 HA LEU 28 -0.444 1.733 0.097 180 HB2 LEU 28 1HB LEU 28 -2.085 0.183 -0.609 181 HB3 LEU 28 2HB LEU 28 -3.170 1.465 -1.140 182 HG LEU 28 HG LEU 28 -1.231 1.973 -2.838 183 HD11 LEU 28 1HD1 LEU 28 0.107 0.157 -3.462 184 HD12 LEU 28 2HD1 LEU 28 -0.837 -0.983 -2.504 185 HD13 LEU 28 3HD1 LEU 28 0.203 0.193 -1.701 186 HD21 LEU 28 3HD2 LEU 28 -2.341 -0.181 -4.117 187 HD22 LEU 28 1HD2 LEU 28 -3.045 1.433 -4.026 188 HD23 LEU 28 2HD2 LEU 28 -3.541 0.190 -2.878 189 H THR 29 H THR 29 -3.144 3.747 -1.087 190 HA THR 29 HA THR 29 -1.851 5.168 -3.033 191 HB THR 29 HB THR 29 -4.319 5.315 -2.201 192 HG1 THR 29 HG1 THR 29 -4.458 6.844 -3.680 193 HG21 THR 29 3HG2 THR 29 -3.741 6.239 0.019 194 HG22 THR 29 1HG2 THR 29 -4.824 7.293 -0.889 195 HG23 THR 29 2HG2 THR 29 -3.108 7.683 -0.770 196 H GLN 30 H GLN 30 -1.670 5.633 0.441 197 HA GLN 30 HA GLN 30 -0.307 8.130 0.345 198 HB2 GLN 30 1HB GLN 30 -0.820 6.074 2.459 199 HB3 GLN 30 2HB GLN 30 0.359 7.345 2.760 200 HG2 GLN 30 1HG GLN 30 -2.362 8.072 1.787 201 HG3 GLN 30 2HG GLN 30 -2.126 7.642 3.480 202 HE21 GLN 30 1HE2 GLN 30 -2.494 9.635 4.329 203 HE22 GLN 30 2HE2 GLN 30 -1.464 10.996 4.062 204 H HIS 31 H HIS 31 0.698 4.778 0.318 205 HA HIS 31 HA HIS 31 3.472 5.330 0.780 206 HB2 HIS 31 1HB HIS 31 2.929 3.166 1.404 207 HB3 HIS 31 2HB HIS 31 1.878 2.917 0.013 208 HD1 HIS 31 HD1 HIS 31 5.544 3.032 0.919 209 HD2 HIS 31 HD2 HIS 31 3.066 1.705 -2.141 210 HE1 HIS 31 HE1 HIS 31 7.025 1.697 -0.614 211 H GLN 32 H GLN 32 1.435 4.829 -2.048 212 HA GLN 32 HA GLN 32 3.391 4.560 -4.003 213 HB2 GLN 32 1HB GLN 32 0.645 5.802 -4.114 214 HB3 GLN 32 2HB GLN 32 1.649 5.582 -5.541 215 HG2 GLN 32 1HG GLN 32 1.589 3.225 -5.330 216 HG3 GLN 32 2HG GLN 32 0.872 3.322 -3.722 217 HE21 GLN 32 1HE2 GLN 32 -0.112 1.898 -6.021 218 HE22 GLN 32 2HE2 GLN 32 -1.673 2.544 -6.380 219 H ARG 33 H ARG 33 2.612 7.267 -2.082 220 HA ARG 33 HA ARG 33 3.324 9.373 -3.807 221 HB2 ARG 33 1HB ARG 33 3.406 9.129 -0.799 222 HB3 ARG 33 2HB ARG 33 3.772 10.623 -1.651 223 HG2 ARG 33 1HG ARG 33 1.540 10.688 -2.574 224 HG3 ARG 33 2HG ARG 33 1.163 9.131 -1.834 225 HD2 ARG 33 1HD ARG 33 0.229 10.633 -0.341 226 HD3 ARG 33 2HD ARG 33 1.803 10.306 0.382 227 HE ARG 33 HE ARG 33 1.790 12.583 -1.369 228 HH11 ARG 33 1HH1 ARG 33 1.191 11.464 1.872 229 HH12 ARG 33 2HH1 ARG 33 1.447 13.018 2.595 230 HH21 ARG 33 1HH2 ARG 33 2.129 14.634 -0.429 231 HH22 ARG 33 2HH2 ARG 33 1.979 14.820 1.285 232 H VAL 34 H VAL 34 5.206 6.946 -2.360 233 HA VAL 34 HA VAL 34 7.664 8.441 -2.215 234 HB VAL 34 HB VAL 34 8.726 6.273 -1.749 235 HG11 VAL 34 1HG1 VAL 34 7.970 7.299 0.192 236 HG12 VAL 34 2HG1 VAL 34 6.272 7.075 -0.231 237 HG13 VAL 34 3HG1 VAL 34 7.242 5.696 0.287 238 HG21 VAL 34 3HG2 VAL 34 6.665 4.494 -1.362 239 HG22 VAL 34 1HG2 VAL 34 6.232 5.278 -2.882 240 HG23 VAL 34 2HG2 VAL 34 7.797 4.482 -2.715 241 H HIS 35 H HIS 35 5.902 6.939 -4.682 242 HA HIS 35 HA HIS 35 8.299 6.701 -6.375 243 HB2 HIS 35 1HB HIS 35 5.598 5.536 -7.024 244 HB3 HIS 35 2HB HIS 35 7.167 5.098 -7.694 245 HD1 HIS 35 HD1 HIS 35 8.865 4.137 -5.643 246 HD2 HIS 35 HD2 HIS 35 4.752 3.721 -5.225 247 HE1 HIS 35 HE1 HIS 35 8.543 2.306 -3.950 248 H THR 36 H THR 36 6.727 9.147 -5.693 249 HA THR 36 HA THR 36 6.744 10.345 -8.251 250 HB THR 36 HB THR 36 4.679 9.220 -8.691 251 HG1 THR 36 HG1 THR 36 4.717 11.438 -9.284 252 HG21 THR 36 3HG2 THR 36 3.275 8.611 -7.074 253 HG22 THR 36 1HG2 THR 36 2.941 10.300 -6.694 254 HG23 THR 36 2HG2 THR 36 4.278 9.465 -5.902 255 H GLY 37 H GLY 37 7.430 12.326 -7.792 256 HA2 GLY 37 1HA GLY 37 6.081 13.864 -5.706 257 HA3 GLY 37 2HA GLY 37 7.809 13.608 -5.512 258 H GLU 38 H GLU 38 5.803 14.347 -8.361 259 HA GLU 38 HA GLU 38 6.170 15.842 -10.059 260 HB2 GLU 38 1HB GLU 38 6.144 18.171 -9.326 261 HB3 GLU 38 2HB GLU 38 5.010 17.210 -8.386 262 HG2 GLU 38 1HG GLU 38 6.413 17.222 -6.493 263 HG3 GLU 38 2HG GLU 38 7.783 17.830 -7.420 264 H LYS 39 H LYS 39 8.452 14.369 -9.634 265 HA LYS 39 HA LYS 39 10.606 16.363 -9.896 266 HB2 LYS 39 1HB LYS 39 11.377 15.121 -8.139 267 HB3 LYS 39 2HB LYS 39 10.494 13.681 -8.629 268 HG2 LYS 39 1HG LYS 39 12.755 14.571 -10.333 269 HG3 LYS 39 2HG LYS 39 13.124 13.827 -8.775 270 HD2 LYS 39 1HD LYS 39 11.472 11.986 -9.523 271 HD3 LYS 39 2HD LYS 39 11.701 12.654 -11.141 272 HE2 LYS 39 1HE LYS 39 14.003 12.154 -11.130 273 HE3 LYS 39 2HE LYS 39 14.015 11.869 -9.390 274 HZ1 LYS 39 3HZ LYS 39 12.186 10.143 -10.734 275 HZ2 LYS 39 1HZ LYS 39 13.463 9.755 -9.694 276 HZ3 LYS 39 2HZ LYS 39 13.754 9.973 -11.346 277 HA PRO 40 HA PRO 40 11.000 15.139 -14.114 278 HB2 PRO 40 1HB PRO 40 13.510 16.070 -14.564 279 HB3 PRO 40 2HB PRO 40 12.103 17.130 -14.425 280 HG2 PRO 40 1HG PRO 40 14.175 16.454 -12.373 281 HG3 PRO 40 2HG PRO 40 13.452 18.027 -12.757 282 HD2 PRO 40 1HD PRO 40 12.660 16.539 -10.638 283 HD3 PRO 40 2HD PRO 40 11.547 17.592 -11.535 284 H SER 41 H SER 41 11.250 13.069 -14.665 285 HA SER 41 HA SER 41 12.703 11.115 -13.458 286 HB2 SER 41 1HB SER 41 11.903 11.469 -16.336 287 HB3 SER 41 2HB SER 41 12.800 10.042 -15.818 288 HG SER 41 HG SER 41 10.177 10.639 -15.489 289 H GLY 42 H GLY 42 13.824 12.720 -16.447 290 HA2 GLY 42 1HA GLY 42 16.575 12.506 -15.409 291 HA3 GLY 42 2HA GLY 42 16.195 11.957 -17.034 292 HA PRO 43 HA PRO 43 17.423 16.516 -16.961 293 HB2 PRO 43 1HB PRO 43 19.719 16.259 -18.386 294 HB3 PRO 43 2HB PRO 43 19.665 16.146 -16.623 295 HG2 PRO 43 1HG PRO 43 19.744 13.954 -18.661 296 HG3 PRO 43 2HG PRO 43 20.632 14.093 -17.132 297 HD2 PRO 43 1HD PRO 43 18.413 12.563 -17.394 298 HD3 PRO 43 2HD PRO 43 18.833 13.384 -15.877 299 H SER 44 H SER 44 16.487 14.122 -19.058 300 HA SER 44 HA SER 44 16.809 15.623 -21.517 301 HB2 SER 44 1HB SER 44 16.957 13.104 -21.394 302 HB3 SER 44 2HB SER 44 15.219 13.085 -21.095 303 HG SER 44 HG SER 44 15.908 12.840 -23.347 304 H SER 45 H SER 45 14.066 14.399 -19.597 305 HA SER 45 HA SER 45 11.943 15.388 -20.960 306 HB2 SER 45 1HB SER 45 11.698 14.115 -18.887 307 HB3 SER 45 2HB SER 45 12.318 15.478 -17.956 308 HG SER 45 HG SER 45 10.344 16.161 -17.895 309 H GLY 46 H GLY 46 11.773 17.309 -21.923 310 HA2 GLY 46 1HA GLY 46 12.053 19.582 -22.296 311 HA3 GLY 46 2HA GLY 46 11.166 19.665 -20.781 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.560 -34.849 -1.585 2 HA2 GLY 1 1HA GLY 1 6.576 -36.428 0.088 3 HA3 GLY 1 2HA GLY 1 7.957 -35.591 0.782 4 H SER 2 H SER 2 7.081 -33.206 1.531 5 HA SER 2 HA SER 2 4.632 -33.604 3.091 6 HB2 SER 2 1HB SER 2 7.381 -33.102 4.162 7 HB3 SER 2 2HB SER 2 5.998 -32.397 4.999 8 HG SER 2 HG SER 2 5.384 -34.325 5.634 9 H SER 3 H SER 3 3.730 -31.612 3.942 10 HA SER 3 HA SER 3 4.686 -29.191 2.573 11 HB2 SER 3 1HB SER 3 1.869 -30.274 2.650 12 HB3 SER 3 2HB SER 3 2.222 -28.586 2.281 13 HG SER 3 HG SER 3 2.051 -30.178 0.467 14 H GLY 4 H GLY 4 3.458 -27.203 3.486 15 HA2 GLY 4 1HA GLY 4 2.978 -27.529 6.371 16 HA3 GLY 4 2HA GLY 4 4.157 -26.350 5.817 17 H SER 5 H SER 5 0.852 -27.005 6.386 18 HA SER 5 HA SER 5 -0.278 -24.940 4.793 19 HB2 SER 5 1HB SER 5 -2.302 -25.286 6.169 20 HB3 SER 5 2HB SER 5 -1.631 -26.814 5.597 21 HG SER 5 HG SER 5 -1.414 -25.678 8.184 22 H SER 6 H SER 6 0.029 -22.841 5.065 23 HA SER 6 HA SER 6 -0.344 -21.585 7.610 24 HB2 SER 6 1HB SER 6 2.095 -22.437 7.581 25 HB3 SER 6 2HB SER 6 2.380 -21.161 6.398 26 HG SER 6 HG SER 6 2.532 -19.869 8.034 27 H GLY 7 H GLY 7 -0.963 -19.490 7.385 28 HA2 GLY 7 1HA GLY 7 -0.976 -17.367 6.304 29 HA3 GLY 7 2HA GLY 7 -0.467 -18.154 4.817 30 H THR 8 H THR 8 -2.940 -16.545 6.100 31 HA THR 8 HA THR 8 -5.139 -18.210 5.257 32 HB THR 8 HB THR 8 -5.422 -16.661 7.142 33 HG1 THR 8 HG1 THR 8 -7.002 -16.519 4.839 34 HG21 THR 8 3HG2 THR 8 -5.443 -14.357 5.231 35 HG22 THR 8 1HG2 THR 8 -3.929 -14.885 5.962 36 HG23 THR 8 2HG2 THR 8 -5.263 -14.351 6.985 37 H GLY 9 H GLY 9 -3.517 -15.287 4.066 38 HA2 GLY 9 1HA GLY 9 -3.907 -15.882 1.360 39 HA3 GLY 9 2HA GLY 9 -5.222 -14.831 1.866 40 H GLU 10 H GLU 10 -4.267 -13.396 0.218 41 HA GLU 10 HA GLU 10 -1.980 -11.889 1.308 42 HB2 GLU 10 1HB GLU 10 -1.427 -11.229 -0.966 43 HB3 GLU 10 2HB GLU 10 -1.480 -12.981 -0.840 44 HG2 GLU 10 1HG GLU 10 -3.521 -13.111 -1.994 45 HG3 GLU 10 2HG GLU 10 -3.819 -11.382 -1.822 46 H LYS 11 H LYS 11 -2.008 -9.590 1.039 47 HA LYS 11 HA LYS 11 -4.432 -8.382 1.732 48 HB2 LYS 11 1HB LYS 11 -1.790 -7.322 0.783 49 HB3 LYS 11 2HB LYS 11 -3.147 -6.229 1.023 50 HG2 LYS 11 1HG LYS 11 -2.185 -6.075 3.071 51 HG3 LYS 11 2HG LYS 11 -3.248 -7.454 3.366 52 HD2 LYS 11 1HD LYS 11 -1.276 -8.910 2.663 53 HD3 LYS 11 2HD LYS 11 -0.291 -7.453 2.818 54 HE2 LYS 11 1HE LYS 11 -1.225 -7.242 5.164 55 HE3 LYS 11 2HE LYS 11 -1.863 -8.872 4.956 56 HZ1 LYS 11 3HZ LYS 11 0.832 -8.013 5.468 57 HZ2 LYS 11 1HZ LYS 11 0.720 -9.133 4.205 58 HZ3 LYS 11 2HZ LYS 11 0.108 -9.519 5.734 59 HA PRO 12 HA PRO 12 -6.512 -7.831 -2.107 60 HB2 PRO 12 1HB PRO 12 -8.085 -5.718 -1.451 61 HB3 PRO 12 2HB PRO 12 -8.380 -7.356 -0.857 62 HG2 PRO 12 1HG PRO 12 -7.039 -5.058 0.514 63 HG3 PRO 12 2HG PRO 12 -8.214 -6.217 1.163 64 HD2 PRO 12 1HD PRO 12 -5.553 -6.427 1.622 65 HD3 PRO 12 2HD PRO 12 -6.615 -7.844 1.493 66 H PHE 13 H PHE 13 -4.441 -5.480 -0.741 67 HA PHE 13 HA PHE 13 -4.355 -4.050 -3.313 68 HB2 PHE 13 1HB PHE 13 -3.728 -2.707 -0.694 69 HB3 PHE 13 2HB PHE 13 -4.095 -1.965 -2.248 70 HD1 PHE 13 HD1 PHE 13 -6.506 -2.658 -3.186 71 HD2 PHE 13 HD2 PHE 13 -5.354 -2.624 0.911 72 HE1 PHE 13 HE1 PHE 13 -8.867 -2.445 -2.527 73 HE2 PHE 13 HE2 PHE 13 -7.713 -2.412 1.577 74 HZ PHE 13 HZ PHE 13 -9.474 -2.323 -0.143 75 H LYS 14 H LYS 14 -2.365 -3.634 -4.157 76 HA LYS 14 HA LYS 14 0.024 -4.048 -2.560 77 HB2 LYS 14 1HB LYS 14 -0.546 -6.311 -3.365 78 HB3 LYS 14 2HB LYS 14 -0.524 -5.719 -5.021 79 HG2 LYS 14 1HG LYS 14 1.838 -5.223 -4.847 80 HG3 LYS 14 2HG LYS 14 1.838 -5.716 -3.152 81 HD2 LYS 14 1HD LYS 14 0.917 -7.964 -4.080 82 HD3 LYS 14 2HD LYS 14 1.577 -7.395 -5.616 83 HE2 LYS 14 1HE LYS 14 3.313 -7.265 -3.206 84 HE3 LYS 14 2HE LYS 14 3.009 -8.846 -3.924 85 HZ1 LYS 14 3HZ LYS 14 3.795 -6.665 -5.707 86 HZ2 LYS 14 1HZ LYS 14 4.145 -8.318 -5.802 87 HZ3 LYS 14 2HZ LYS 14 4.989 -7.336 -4.714 88 H CYS 15 H CYS 15 1.879 -3.115 -3.447 89 HA CYS 15 HA CYS 15 1.333 -1.184 -5.574 90 HB2 CYS 15 1HB CYS 15 2.283 -0.059 -3.771 91 HB3 CYS 15 2HB CYS 15 3.380 -1.383 -3.394 92 H GLY 16 H GLY 16 2.420 -1.123 -7.492 93 HA2 GLY 16 1HA GLY 16 3.954 -3.526 -8.158 94 HA3 GLY 16 2HA GLY 16 3.245 -2.399 -9.305 95 H GLU 17 H GLU 17 4.416 -0.153 -7.607 96 HA GLU 17 HA GLU 17 6.677 0.354 -9.158 97 HB2 GLU 17 1HB GLU 17 6.025 1.463 -6.421 98 HB3 GLU 17 2HB GLU 17 7.165 2.156 -7.566 99 HG2 GLU 17 1HG GLU 17 4.218 1.824 -8.076 100 HG3 GLU 17 2HG GLU 17 4.982 3.309 -7.512 101 H CYS 18 H CYS 18 6.663 -0.385 -5.665 102 HA CYS 18 HA CYS 18 9.380 -1.466 -5.970 103 HB2 CYS 18 1HB CYS 18 9.661 -1.083 -3.589 104 HB3 CYS 18 2HB CYS 18 9.096 0.396 -4.359 105 H GLY 19 H GLY 19 6.236 -2.135 -4.466 106 HA2 GLY 19 1HA GLY 19 5.450 -4.478 -4.822 107 HA3 GLY 19 2HA GLY 19 7.047 -4.972 -4.279 108 H LYS 20 H LYS 20 5.258 -2.332 -2.833 109 HA LYS 20 HA LYS 20 5.217 -3.817 -0.311 110 HB2 LYS 20 1HB LYS 20 5.154 -0.923 -1.049 111 HB3 LYS 20 2HB LYS 20 4.447 -1.416 0.484 112 HG2 LYS 20 1HG LYS 20 6.650 -2.564 0.973 113 HG3 LYS 20 2HG LYS 20 7.295 -1.696 -0.423 114 HD2 LYS 20 1HD LYS 20 6.647 0.432 0.620 115 HD3 LYS 20 2HD LYS 20 6.035 -0.449 2.022 116 HE2 LYS 20 1HE LYS 20 8.888 -0.505 1.043 117 HE3 LYS 20 2HE LYS 20 8.296 0.483 2.376 118 HZ1 LYS 20 3HZ LYS 20 7.607 -2.285 2.652 119 HZ2 LYS 20 1HZ LYS 20 8.355 -1.244 3.756 120 HZ3 LYS 20 2HZ LYS 20 9.280 -2.040 2.585 121 H SER 21 H SER 21 3.399 -4.600 0.536 122 HA SER 21 HA SER 21 0.853 -3.858 -0.732 123 HB2 SER 21 1HB SER 21 -0.002 -6.001 0.161 124 HB3 SER 21 2HB SER 21 1.399 -6.236 -0.884 125 HG SER 21 HG SER 21 1.760 -7.451 0.918 126 H TYR 22 H TYR 22 -1.039 -3.645 0.613 127 HA TYR 22 HA TYR 22 -0.592 -3.198 3.457 128 HB2 TYR 22 1HB TYR 22 -1.650 -1.046 1.613 129 HB3 TYR 22 2HB TYR 22 -1.639 -0.955 3.371 130 HD1 TYR 22 HD2 TYR 22 0.525 -1.092 0.374 131 HD2 TYR 22 HD1 TYR 22 0.314 -0.310 4.550 132 HE1 TYR 22 HE2 TYR 22 2.789 -0.135 0.303 133 HE2 TYR 22 HE1 TYR 22 2.577 0.650 4.491 134 HH TYR 22 HH TYR 22 4.030 1.791 2.163 135 H ASN 23 H ASN 23 -2.262 -3.906 4.618 136 HA ASN 23 HA ASN 23 -4.433 -5.237 3.503 137 HB2 ASN 23 1HB ASN 23 -3.572 -5.512 5.842 138 HB3 ASN 23 2HB ASN 23 -4.356 -3.991 6.257 139 HD21 ASN 23 1HD2 ASN 23 -5.258 -5.718 7.806 140 HD22 ASN 23 2HD2 ASN 23 -6.755 -6.433 7.325 141 H GLN 24 H GLN 24 -4.077 -1.884 4.454 142 HA GLN 24 HA GLN 24 -6.884 -1.363 3.791 143 HB2 GLN 24 1HB GLN 24 -4.803 0.126 5.346 144 HB3 GLN 24 2HB GLN 24 -6.164 1.002 4.657 145 HG2 GLN 24 1HG GLN 24 -6.494 0.333 7.013 146 HG3 GLN 24 2HG GLN 24 -7.724 -0.294 5.917 147 HE21 GLN 24 1HE2 GLN 24 -8.240 -2.333 6.201 148 HE22 GLN 24 2HE2 GLN 24 -7.232 -3.557 6.887 149 H ARG 25 H ARG 25 -7.312 0.690 2.569 150 HA ARG 25 HA ARG 25 -5.701 0.675 0.160 151 HB2 ARG 25 1HB ARG 25 -8.231 2.179 0.854 152 HB3 ARG 25 2HB ARG 25 -7.461 2.181 -0.727 153 HG2 ARG 25 1HG ARG 25 -7.858 -0.193 -0.962 154 HG3 ARG 25 2HG ARG 25 -8.545 -0.260 0.663 155 HD2 ARG 25 1HD ARG 25 -10.469 -0.090 -0.548 156 HD3 ARG 25 2HD ARG 25 -10.120 1.623 -0.320 157 HE ARG 25 HE ARG 25 -8.895 0.713 -2.687 158 HH11 ARG 25 1HH1 ARG 25 -12.036 1.426 -1.366 159 HH12 ARG 25 2HH1 ARG 25 -12.734 1.829 -2.900 160 HH21 ARG 25 1HH2 ARG 25 -9.802 1.242 -4.713 161 HH22 ARG 25 2HH2 ARG 25 -11.462 1.724 -4.803 162 H VAL 26 H VAL 26 -6.843 3.143 2.467 163 HA VAL 26 HA VAL 26 -5.530 5.348 1.485 164 HB VAL 26 HB VAL 26 -7.061 5.596 3.312 165 HG11 VAL 26 1HG1 VAL 26 -7.114 4.184 5.023 166 HG12 VAL 26 2HG1 VAL 26 -5.662 3.396 4.404 167 HG13 VAL 26 3HG1 VAL 26 -5.522 4.730 5.549 168 HG21 VAL 26 3HG2 VAL 26 -4.497 6.336 4.638 169 HG22 VAL 26 1HG2 VAL 26 -4.888 7.056 3.076 170 HG23 VAL 26 2HG2 VAL 26 -5.979 7.273 4.445 171 H HIS 27 H HIS 27 -4.161 2.547 2.904 172 HA HIS 27 HA HIS 27 -1.677 3.797 3.680 173 HB2 HIS 27 1HB HIS 27 -2.810 1.046 3.761 174 HB3 HIS 27 2HB HIS 27 -1.056 1.198 3.745 175 HD1 HIS 27 HD1 HIS 27 -0.766 0.402 6.156 176 HD2 HIS 27 HD2 HIS 27 -3.230 3.727 5.789 177 HE1 HIS 27 HE1 HIS 27 -1.096 1.256 8.498 178 H LEU 28 H LEU 28 -2.911 1.933 0.968 179 HA LEU 28 HA LEU 28 -0.385 1.548 -0.293 180 HB2 LEU 28 1HB LEU 28 -2.261 0.087 -0.761 181 HB3 LEU 28 2HB LEU 28 -3.188 1.445 -1.397 182 HG LEU 28 HG LEU 28 -1.577 1.642 -3.253 183 HD11 LEU 28 1HD1 LEU 28 0.369 0.570 -3.304 184 HD12 LEU 28 2HD1 LEU 28 -0.391 -0.977 -2.929 185 HD13 LEU 28 3HD1 LEU 28 0.068 0.119 -1.626 186 HD21 LEU 28 3HD2 LEU 28 -3.670 0.093 -3.180 187 HD22 LEU 28 1HD2 LEU 28 -2.476 -1.206 -3.203 188 HD23 LEU 28 2HD2 LEU 28 -2.529 -0.033 -4.520 189 H THR 29 H THR 29 -3.138 3.663 -1.122 190 HA THR 29 HA THR 29 -1.931 5.088 -3.167 191 HB THR 29 HB THR 29 -4.361 5.200 -2.469 192 HG1 THR 29 HG1 THR 29 -4.070 6.695 -3.957 193 HG21 THR 29 3HG2 THR 29 -5.048 6.767 -0.812 194 HG22 THR 29 1HG2 THR 29 -3.403 7.369 -0.607 195 HG23 THR 29 2HG2 THR 29 -3.822 5.743 -0.065 196 H GLN 30 H GLN 30 -1.869 5.704 0.319 197 HA GLN 30 HA GLN 30 -0.463 8.154 0.173 198 HB2 GLN 30 1HB GLN 30 -1.008 6.160 2.337 199 HB3 GLN 30 2HB GLN 30 0.163 7.441 2.620 200 HG2 GLN 30 1HG GLN 30 -1.723 9.015 1.818 201 HG3 GLN 30 2HG GLN 30 -2.779 7.644 2.153 202 HE21 GLN 30 1HE2 GLN 30 -1.367 10.361 3.425 203 HE22 GLN 30 2HE2 GLN 30 -1.571 10.016 5.106 204 H HIS 31 H HIS 31 0.551 4.802 0.294 205 HA HIS 31 HA HIS 31 3.291 5.295 0.845 206 HB2 HIS 31 1HB HIS 31 2.750 3.102 1.286 207 HB3 HIS 31 2HB HIS 31 1.693 2.968 -0.116 208 HD1 HIS 31 HD1 HIS 31 5.409 3.168 0.650 209 HD2 HIS 31 HD2 HIS 31 2.807 1.656 -2.214 210 HE1 HIS 31 HE1 HIS 31 6.848 1.851 -0.937 211 H GLN 32 H GLN 32 1.390 5.150 -2.094 212 HA GLN 32 HA GLN 32 3.486 4.960 -3.951 213 HB2 GLN 32 1HB GLN 32 0.766 6.250 -4.213 214 HB3 GLN 32 2HB GLN 32 1.854 5.945 -5.560 215 HG2 GLN 32 1HG GLN 32 1.678 3.592 -5.275 216 HG3 GLN 32 2HG GLN 32 0.821 3.783 -3.747 217 HE21 GLN 32 1HE2 GLN 32 0.126 2.463 -6.340 218 HE22 GLN 32 2HE2 GLN 32 -1.416 3.117 -6.765 219 H ARG 33 H ARG 33 2.678 7.459 -1.837 220 HA ARG 33 HA ARG 33 3.269 9.760 -3.303 221 HB2 ARG 33 1HB ARG 33 3.541 9.089 -0.381 222 HB3 ARG 33 2HB ARG 33 3.978 10.673 -1.007 223 HG2 ARG 33 1HG ARG 33 1.673 10.894 -1.903 224 HG3 ARG 33 2HG ARG 33 1.267 9.372 -1.107 225 HD2 ARG 33 1HD ARG 33 0.590 11.289 0.245 226 HD3 ARG 33 2HD ARG 33 1.834 10.339 1.057 227 HE ARG 33 HE ARG 33 2.078 13.043 0.052 228 HH11 ARG 33 1HH1 ARG 33 3.719 10.190 1.187 229 HH12 ARG 33 2HH1 ARG 33 5.169 11.036 1.615 230 HH21 ARG 33 1HH2 ARG 33 3.982 14.168 0.611 231 HH22 ARG 33 2HH2 ARG 33 5.317 13.299 1.288 232 H VAL 34 H VAL 34 5.287 7.191 -2.454 233 HA VAL 34 HA VAL 34 7.730 8.785 -2.480 234 HB VAL 34 HB VAL 34 8.905 6.821 -1.853 235 HG11 VAL 34 1HG1 VAL 34 8.091 7.278 0.175 236 HG12 VAL 34 2HG1 VAL 34 6.463 7.552 -0.449 237 HG13 VAL 34 3HG1 VAL 34 7.004 5.913 -0.082 238 HG21 VAL 34 3HG2 VAL 34 7.848 4.596 -1.790 239 HG22 VAL 34 1HG2 VAL 34 6.400 5.281 -2.527 240 HG23 VAL 34 2HG2 VAL 34 7.918 5.257 -3.423 241 H HIS 35 H HIS 35 5.872 6.675 -4.526 242 HA HIS 35 HA HIS 35 8.018 6.528 -6.504 243 HB2 HIS 35 1HB HIS 35 5.257 5.319 -6.695 244 HB3 HIS 35 2HB HIS 35 6.683 4.894 -7.637 245 HD1 HIS 35 HD1 HIS 35 8.777 4.184 -5.761 246 HD2 HIS 35 HD2 HIS 35 4.796 3.384 -4.885 247 HE1 HIS 35 HE1 HIS 35 8.823 2.356 -4.034 248 H THR 36 H THR 36 6.387 8.983 -5.778 249 HA THR 36 HA THR 36 5.911 9.822 -8.523 250 HB THR 36 HB THR 36 3.713 8.956 -7.605 251 HG1 THR 36 HG1 THR 36 3.369 11.687 -8.083 252 HG21 THR 36 3HG2 THR 36 2.513 10.303 -6.012 253 HG22 THR 36 1HG2 THR 36 3.830 11.472 -5.941 254 HG23 THR 36 2HG2 THR 36 4.060 9.845 -5.301 255 H GLY 37 H GLY 37 6.173 12.016 -8.854 256 HA2 GLY 37 1HA GLY 37 6.020 14.151 -7.242 257 HA3 GLY 37 2HA GLY 37 7.526 13.423 -6.703 258 H GLU 38 H GLU 38 9.179 13.029 -8.403 259 HA GLU 38 HA GLU 38 9.133 15.237 -10.349 260 HB2 GLU 38 1HB GLU 38 10.916 15.068 -8.461 261 HB3 GLU 38 2HB GLU 38 11.633 13.825 -9.477 262 HG2 GLU 38 1HG GLU 38 11.377 15.709 -11.319 263 HG3 GLU 38 2HG GLU 38 11.447 16.750 -9.899 264 H LYS 39 H LYS 39 7.793 13.491 -11.530 265 HA LYS 39 HA LYS 39 8.986 11.209 -12.619 266 HB2 LYS 39 1HB LYS 39 7.196 11.238 -14.255 267 HB3 LYS 39 2HB LYS 39 6.559 11.675 -12.675 268 HG2 LYS 39 1HG LYS 39 6.176 13.857 -13.278 269 HG3 LYS 39 2HG LYS 39 7.399 13.832 -14.550 270 HD2 LYS 39 1HD LYS 39 5.492 13.771 -15.819 271 HD3 LYS 39 2HD LYS 39 5.780 12.042 -15.608 272 HE2 LYS 39 1HE LYS 39 4.175 11.947 -13.815 273 HE3 LYS 39 2HE LYS 39 3.970 13.698 -13.854 274 HZ1 LYS 39 3HZ LYS 39 2.904 11.663 -15.650 275 HZ2 LYS 39 1HZ LYS 39 3.357 13.136 -16.351 276 HZ3 LYS 39 2HZ LYS 39 2.205 13.107 -15.113 277 HA PRO 40 HA PRO 40 11.853 12.785 -15.564 278 HB2 PRO 40 1HB PRO 40 11.971 10.651 -17.238 279 HB3 PRO 40 2HB PRO 40 12.719 10.658 -15.637 280 HG2 PRO 40 1HG PRO 40 10.105 9.482 -16.501 281 HG3 PRO 40 2HG PRO 40 11.343 8.795 -15.433 282 HD2 PRO 40 1HD PRO 40 9.086 9.958 -14.490 283 HD3 PRO 40 2HD PRO 40 10.629 10.016 -13.613 284 H SER 41 H SER 41 10.647 14.471 -16.502 285 HA SER 41 HA SER 41 8.599 14.065 -18.416 286 HB2 SER 41 1HB SER 41 10.360 16.494 -18.002 287 HB3 SER 41 2HB SER 41 8.839 16.460 -18.893 288 HG SER 41 HG SER 41 8.130 15.497 -16.670 289 H GLY 42 H GLY 42 12.004 15.062 -18.798 290 HA2 GLY 42 1HA GLY 42 12.030 15.097 -21.598 291 HA3 GLY 42 2HA GLY 42 13.442 14.874 -20.576 292 HA PRO 43 HA PRO 43 11.796 10.819 -22.661 293 HB2 PRO 43 1HB PRO 43 12.640 11.041 -25.232 294 HB3 PRO 43 2HB PRO 43 11.027 11.534 -24.704 295 HG2 PRO 43 1HG PRO 43 13.459 13.213 -25.180 296 HG3 PRO 43 2HG PRO 43 11.775 13.528 -25.637 297 HD2 PRO 43 1HD PRO 43 12.936 14.671 -23.474 298 HD3 PRO 43 2HD PRO 43 11.208 14.265 -23.528 299 H SER 44 H SER 44 13.145 9.073 -22.762 300 HA SER 44 HA SER 44 15.999 9.519 -23.244 301 HB2 SER 44 1HB SER 44 14.835 8.235 -20.766 302 HB3 SER 44 2HB SER 44 16.527 8.084 -21.238 303 HG SER 44 HG SER 44 16.206 10.587 -21.339 304 H SER 45 H SER 45 16.606 8.140 -24.761 305 HA SER 45 HA SER 45 15.243 5.536 -24.935 306 HB2 SER 45 1HB SER 45 15.270 7.312 -26.888 307 HB3 SER 45 2HB SER 45 16.870 6.636 -27.194 308 HG SER 45 HG SER 45 15.547 5.370 -28.358 309 H GLY 46 H GLY 46 16.377 3.716 -24.652 310 HA2 GLY 46 1HA GLY 46 19.216 3.955 -24.035 311 HA3 GLY 46 2HA GLY 46 18.199 2.552 -23.740 Start of MODEL 20 1 H1 GLY 1 H GLY 1 12.164 -27.305 0.795 2 HA2 GLY 1 1HA GLY 1 11.276 -26.287 -1.191 3 HA3 GLY 1 2HA GLY 1 10.760 -27.879 -1.728 4 H SER 2 H SER 2 10.176 -25.444 0.787 5 HA SER 2 HA SER 2 7.338 -25.690 0.459 6 HB2 SER 2 1HB SER 2 6.759 -26.537 2.614 7 HB3 SER 2 2HB SER 2 7.960 -27.646 1.954 8 HG SER 2 HG SER 2 8.105 -25.992 4.142 9 H SER 3 H SER 3 6.193 -24.001 1.427 10 HA SER 3 HA SER 3 7.418 -22.168 3.244 11 HB2 SER 3 1HB SER 3 7.582 -20.240 1.785 12 HB3 SER 3 2HB SER 3 8.550 -21.549 1.107 13 HG SER 3 HG SER 3 6.755 -22.003 -0.281 14 H GLY 4 H GLY 4 5.936 -20.803 4.185 15 HA2 GLY 4 1HA GLY 4 3.206 -20.838 3.070 16 HA3 GLY 4 2HA GLY 4 3.483 -21.220 4.763 17 H SER 5 H SER 5 3.555 -18.691 2.338 18 HA SER 5 HA SER 5 4.251 -16.619 4.205 19 HB2 SER 5 1HB SER 5 3.546 -16.751 1.311 20 HB3 SER 5 2HB SER 5 3.336 -15.206 2.136 21 HG SER 5 HG SER 5 5.401 -15.170 1.450 22 H SER 6 H SER 6 1.293 -17.457 2.405 23 HA SER 6 HA SER 6 -0.290 -15.580 3.908 24 HB2 SER 6 1HB SER 6 -0.891 -15.981 1.601 25 HB3 SER 6 2HB SER 6 -1.051 -17.711 1.899 26 HG SER 6 HG SER 6 -2.929 -15.905 2.080 27 H GLY 7 H GLY 7 -0.578 -16.043 6.010 28 HA2 GLY 7 1HA GLY 7 -0.927 -18.769 6.918 29 HA3 GLY 7 2HA GLY 7 -0.911 -17.326 7.921 30 H THR 8 H THR 8 -2.927 -15.831 6.826 31 HA THR 8 HA THR 8 -5.293 -17.560 7.151 32 HB THR 8 HB THR 8 -6.423 -15.583 8.206 33 HG1 THR 8 HG1 THR 8 -5.356 -13.765 8.365 34 HG21 THR 8 3HG2 THR 8 -4.911 -17.522 9.356 35 HG22 THR 8 1HG2 THR 8 -5.861 -16.342 10.257 36 HG23 THR 8 2HG2 THR 8 -4.138 -16.072 9.996 37 H GLY 9 H GLY 9 -4.171 -14.418 5.898 38 HA2 GLY 9 1HA GLY 9 -5.611 -14.850 3.433 39 HA3 GLY 9 2HA GLY 9 -6.289 -13.573 4.432 40 H GLU 10 H GLU 10 -5.040 -13.428 1.778 41 HA GLU 10 HA GLU 10 -2.537 -12.029 2.246 42 HB2 GLU 10 1HB GLU 10 -3.130 -13.592 0.243 43 HB3 GLU 10 2HB GLU 10 -3.924 -12.165 -0.409 44 HG2 GLU 10 1HG GLU 10 -1.555 -12.583 -1.164 45 HG3 GLU 10 2HG GLU 10 -1.911 -10.970 -0.547 46 H LYS 11 H LYS 11 -2.229 -9.892 1.096 47 HA LYS 11 HA LYS 11 -4.168 -8.040 2.093 48 HB2 LYS 11 1HB LYS 11 -1.789 -7.504 0.307 49 HB3 LYS 11 2HB LYS 11 -2.673 -6.316 1.256 50 HG2 LYS 11 1HG LYS 11 -1.463 -8.622 2.683 51 HG3 LYS 11 2HG LYS 11 -0.394 -7.350 2.087 52 HD2 LYS 11 1HD LYS 11 -1.758 -5.680 3.285 53 HD3 LYS 11 2HD LYS 11 -2.763 -6.984 3.922 54 HE2 LYS 11 1HE LYS 11 -1.153 -6.360 5.591 55 HE3 LYS 11 2HE LYS 11 -0.740 -7.959 4.974 56 HZ1 LYS 11 3HZ LYS 11 0.678 -6.360 3.354 57 HZ2 LYS 11 1HZ LYS 11 1.290 -7.074 4.761 58 HZ3 LYS 11 2HZ LYS 11 0.730 -5.478 4.796 59 HA PRO 12 HA PRO 12 -6.737 -7.846 -1.500 60 HB2 PRO 12 1HB PRO 12 -8.074 -5.572 -0.858 61 HB3 PRO 12 2HB PRO 12 -8.392 -7.126 -0.079 62 HG2 PRO 12 1HG PRO 12 -6.741 -4.825 0.890 63 HG3 PRO 12 2HG PRO 12 -7.892 -5.832 1.788 64 HD2 PRO 12 1HD PRO 12 -5.213 -6.201 1.931 65 HD3 PRO 12 2HD PRO 12 -6.370 -7.541 2.070 66 H PHE 13 H PHE 13 -4.562 -5.317 -0.517 67 HA PHE 13 HA PHE 13 -4.622 -4.234 -3.257 68 HB2 PHE 13 1HB PHE 13 -3.869 -2.721 -0.749 69 HB3 PHE 13 2HB PHE 13 -4.015 -2.062 -2.376 70 HD1 PHE 13 HD1 PHE 13 -6.377 -2.408 -3.490 71 HD2 PHE 13 HD2 PHE 13 -5.630 -2.470 0.700 72 HE1 PHE 13 HE1 PHE 13 -8.742 -1.879 -3.064 73 HE2 PHE 13 HE2 PHE 13 -7.994 -1.942 1.133 74 HZ PHE 13 HZ PHE 13 -9.553 -1.646 -0.750 75 H LYS 14 H LYS 14 -2.559 -3.325 -4.007 76 HA LYS 14 HA LYS 14 -0.141 -4.111 -2.652 77 HB2 LYS 14 1HB LYS 14 -0.926 -6.203 -3.811 78 HB3 LYS 14 2HB LYS 14 -0.735 -5.355 -5.340 79 HG2 LYS 14 1HG LYS 14 1.685 -4.960 -4.602 80 HG3 LYS 14 2HG LYS 14 1.375 -6.208 -3.393 81 HD2 LYS 14 1HD LYS 14 0.610 -7.684 -5.296 82 HD3 LYS 14 2HD LYS 14 1.258 -6.462 -6.392 83 HE2 LYS 14 1HE LYS 14 3.446 -6.708 -5.124 84 HE3 LYS 14 2HE LYS 14 2.740 -8.145 -4.387 85 HZ1 LYS 14 3HZ LYS 14 2.478 -9.118 -6.563 86 HZ2 LYS 14 1HZ LYS 14 4.093 -8.663 -6.342 87 HZ3 LYS 14 2HZ LYS 14 3.073 -7.720 -7.308 88 H CYS 15 H CYS 15 1.690 -3.082 -3.451 89 HA CYS 15 HA CYS 15 1.130 -0.826 -5.204 90 HB2 CYS 15 1HB CYS 15 2.316 -0.098 -3.339 91 HB3 CYS 15 2HB CYS 15 3.338 -1.531 -3.304 92 H GLY 16 H GLY 16 1.590 -0.843 -7.299 93 HA2 GLY 16 1HA GLY 16 3.291 -2.982 -8.353 94 HA3 GLY 16 2HA GLY 16 2.192 -1.977 -9.287 95 H GLU 17 H GLU 17 4.786 -1.093 -7.023 96 HA GLU 17 HA GLU 17 6.232 0.146 -9.258 97 HB2 GLU 17 1HB GLU 17 5.440 1.452 -6.660 98 HB3 GLU 17 2HB GLU 17 6.760 2.059 -7.650 99 HG2 GLU 17 1HG GLU 17 4.061 1.633 -8.852 100 HG3 GLU 17 2HG GLU 17 4.391 3.074 -7.892 101 H CYS 18 H CYS 18 6.345 -0.824 -5.847 102 HA CYS 18 HA CYS 18 9.182 -1.520 -6.232 103 HB2 CYS 18 1HB CYS 18 9.634 -0.915 -3.935 104 HB3 CYS 18 2HB CYS 18 8.877 0.453 -4.745 105 H GLY 19 H GLY 19 6.186 -2.261 -4.493 106 HA2 GLY 19 1HA GLY 19 5.586 -4.695 -4.636 107 HA3 GLY 19 2HA GLY 19 7.221 -4.996 -4.066 108 H LYS 20 H LYS 20 5.131 -2.421 -2.899 109 HA LYS 20 HA LYS 20 5.202 -3.674 -0.243 110 HB2 LYS 20 1HB LYS 20 5.028 -0.837 -1.188 111 HB3 LYS 20 2HB LYS 20 4.410 -1.259 0.404 112 HG2 LYS 20 1HG LYS 20 6.744 -2.368 0.714 113 HG3 LYS 20 2HG LYS 20 7.213 -1.302 -0.612 114 HD2 LYS 20 1HD LYS 20 6.866 0.611 0.627 115 HD3 LYS 20 2HD LYS 20 5.710 -0.172 1.707 116 HE2 LYS 20 1HE LYS 20 7.502 -0.044 3.110 117 HE3 LYS 20 2HE LYS 20 7.841 -1.601 2.356 118 HZ1 LYS 20 3HZ LYS 20 9.505 -0.702 1.054 119 HZ2 LYS 20 1HZ LYS 20 9.706 0.138 2.509 120 HZ3 LYS 20 2HZ LYS 20 8.932 0.882 1.203 121 H SER 21 H SER 21 3.434 -4.798 0.226 122 HA SER 21 HA SER 21 0.860 -3.986 -0.900 123 HB2 SER 21 1HB SER 21 1.187 -6.439 0.781 124 HB3 SER 21 2HB SER 21 0.138 -6.166 -0.610 125 HG SER 21 HG SER 21 2.943 -6.583 -0.615 126 H TYR 22 H TYR 22 -0.938 -3.522 0.347 127 HA TYR 22 HA TYR 22 -0.516 -3.270 3.245 128 HB2 TYR 22 1HB TYR 22 -1.578 -1.158 1.369 129 HB3 TYR 22 2HB TYR 22 -1.821 -1.097 3.111 130 HD1 TYR 22 HD2 TYR 22 0.693 -0.933 0.423 131 HD2 TYR 22 HD1 TYR 22 -0.043 -0.472 4.588 132 HE1 TYR 22 HE2 TYR 22 2.880 0.161 0.683 133 HE2 TYR 22 HE1 TYR 22 2.141 0.625 4.859 134 HH TYR 22 HH TYR 22 4.040 1.627 2.171 135 H ASN 23 H ASN 23 -2.393 -3.402 4.525 136 HA ASN 23 HA ASN 23 -4.405 -5.128 3.487 137 HB2 ASN 23 1HB ASN 23 -5.197 -5.291 5.675 138 HB3 ASN 23 2HB ASN 23 -3.489 -4.931 5.913 139 HD21 ASN 23 1HD2 ASN 23 -6.532 -4.167 6.872 140 HD22 ASN 23 2HD2 ASN 23 -6.244 -2.593 7.524 141 H GLN 24 H GLN 24 -4.204 -1.688 4.123 142 HA GLN 24 HA GLN 24 -6.946 -1.382 3.090 143 HB2 GLN 24 1HB GLN 24 -5.415 0.160 5.156 144 HB3 GLN 24 2HB GLN 24 -6.711 0.938 4.258 145 HG2 GLN 24 1HG GLN 24 -6.938 -1.499 6.007 146 HG3 GLN 24 2HG GLN 24 -7.557 0.117 6.348 147 HE21 GLN 24 1HE2 GLN 24 -9.040 -2.331 6.271 148 HE22 GLN 24 2HE2 GLN 24 -10.230 -2.166 5.031 149 H ARG 25 H ARG 25 -7.263 -0.164 1.318 150 HA ARG 25 HA ARG 25 -5.105 0.518 -0.346 151 HB2 ARG 25 1HB ARG 25 -6.843 1.717 -1.704 152 HB3 ARG 25 2HB ARG 25 -7.228 0.041 -1.337 153 HG2 ARG 25 1HG ARG 25 -9.235 0.986 -0.874 154 HG3 ARG 25 2HG ARG 25 -8.477 1.159 0.710 155 HD2 ARG 25 1HD ARG 25 -8.201 3.417 0.485 156 HD3 ARG 25 2HD ARG 25 -8.083 3.336 -1.272 157 HE ARG 25 HE ARG 25 -10.378 3.510 -1.417 158 HH11 ARG 25 1HH1 ARG 25 -9.421 3.015 1.894 159 HH12 ARG 25 2HH1 ARG 25 -10.987 3.381 2.538 160 HH21 ARG 25 1HH2 ARG 25 -12.444 3.994 -0.581 161 HH22 ARG 25 2HH2 ARG 25 -12.706 3.937 1.129 162 H VAL 26 H VAL 26 -6.417 2.134 2.319 163 HA VAL 26 HA VAL 26 -5.871 4.823 1.491 164 HB VAL 26 HB VAL 26 -7.540 4.243 3.251 165 HG11 VAL 26 1HG1 VAL 26 -7.019 3.188 5.159 166 HG12 VAL 26 2HG1 VAL 26 -5.551 2.700 4.311 167 HG13 VAL 26 3HG1 VAL 26 -5.530 4.108 5.374 168 HG21 VAL 26 3HG2 VAL 26 -5.668 6.379 3.196 169 HG22 VAL 26 1HG2 VAL 26 -7.329 6.386 3.788 170 HG23 VAL 26 2HG2 VAL 26 -6.004 5.987 4.882 171 H HIS 27 H HIS 27 -4.099 2.290 3.122 172 HA HIS 27 HA HIS 27 -1.941 4.059 3.898 173 HB2 HIS 27 1HB HIS 27 -2.610 1.191 4.312 174 HB3 HIS 27 2HB HIS 27 -0.907 1.638 4.370 175 HD1 HIS 27 HD1 HIS 27 -0.093 2.396 6.580 176 HD2 HIS 27 HD2 HIS 27 -4.208 2.837 6.211 177 HE1 HIS 27 HE1 HIS 27 -0.889 3.189 8.830 178 H LEU 28 H LEU 28 -2.762 1.986 1.258 179 HA LEU 28 HA LEU 28 -0.092 1.673 0.259 180 HB2 LEU 28 1HB LEU 28 -1.551 -0.025 -0.382 181 HB3 LEU 28 2HB LEU 28 -2.832 1.108 -0.808 182 HG LEU 28 HG LEU 28 -1.529 1.789 -2.791 183 HD11 LEU 28 1HD1 LEU 28 0.360 0.291 -3.468 184 HD12 LEU 28 2HD1 LEU 28 0.355 -0.352 -1.826 185 HD13 LEU 28 3HD1 LEU 28 0.706 1.354 -2.104 186 HD21 LEU 28 3HD2 LEU 28 -3.243 -0.025 -2.849 187 HD22 LEU 28 1HD2 LEU 28 -1.933 -1.195 -2.679 188 HD23 LEU 28 2HD2 LEU 28 -2.006 -0.152 -4.100 189 H THR 29 H THR 29 -2.908 3.601 -0.759 190 HA THR 29 HA THR 29 -1.742 4.933 -2.895 191 HB THR 29 HB THR 29 -4.185 4.995 -2.161 192 HG1 THR 29 HG1 THR 29 -3.733 6.276 -3.867 193 HG21 THR 29 3HG2 THR 29 -3.211 7.334 -0.519 194 HG22 THR 29 1HG2 THR 29 -3.706 5.781 0.153 195 HG23 THR 29 2HG2 THR 29 -4.877 6.786 -0.702 196 H GLN 30 H GLN 30 -1.705 5.748 0.549 197 HA GLN 30 HA GLN 30 -0.409 8.242 0.279 198 HB2 GLN 30 1HB GLN 30 -0.807 6.314 2.537 199 HB3 GLN 30 2HB GLN 30 0.280 7.681 2.741 200 HG2 GLN 30 1HG GLN 30 -2.506 8.100 1.746 201 HG3 GLN 30 2HG GLN 30 -2.187 7.896 3.468 202 HE21 GLN 30 1HE2 GLN 30 -0.282 9.297 4.240 203 HE22 GLN 30 2HE2 GLN 30 -0.314 10.944 3.719 204 H HIS 31 H HIS 31 0.743 4.971 0.281 205 HA HIS 31 HA HIS 31 3.489 5.650 0.805 206 HB2 HIS 31 1HB HIS 31 3.098 3.479 1.461 207 HB3 HIS 31 2HB HIS 31 1.988 3.164 0.130 208 HD1 HIS 31 HD1 HIS 31 5.720 3.666 0.660 209 HD2 HIS 31 HD2 HIS 31 3.077 1.693 -1.868 210 HE1 HIS 31 HE1 HIS 31 7.159 2.282 -0.869 211 H GLN 32 H GLN 32 1.522 4.945 -2.038 212 HA GLN 32 HA GLN 32 3.516 4.752 -3.959 213 HB2 GLN 32 1HB GLN 32 0.735 5.907 -4.201 214 HB3 GLN 32 2HB GLN 32 1.773 5.531 -5.569 215 HG2 GLN 32 1HG GLN 32 1.832 3.165 -4.764 216 HG3 GLN 32 2HG GLN 32 0.609 3.607 -3.575 217 HE21 GLN 32 1HE2 GLN 32 -0.515 1.843 -4.769 218 HE22 GLN 32 2HE2 GLN 32 -1.460 2.288 -6.145 219 H ARG 33 H ARG 33 2.656 7.425 -2.070 220 HA ARG 33 HA ARG 33 3.148 9.571 -3.800 221 HB2 ARG 33 1HB ARG 33 3.403 9.249 -0.819 222 HB3 ARG 33 2HB ARG 33 3.801 10.766 -1.615 223 HG2 ARG 33 1HG ARG 33 1.449 10.610 -2.635 224 HG3 ARG 33 2HG ARG 33 1.146 9.407 -1.380 225 HD2 ARG 33 1HD ARG 33 1.726 11.020 0.339 226 HD3 ARG 33 2HD ARG 33 2.120 12.219 -0.893 227 HE ARG 33 HE ARG 33 -0.469 11.583 0.102 228 HH11 ARG 33 1HH1 ARG 33 1.250 12.595 -2.751 229 HH12 ARG 33 2HH1 ARG 33 -0.117 13.400 -3.448 230 HH21 ARG 33 1HH2 ARG 33 -2.276 12.639 -0.805 231 HH22 ARG 33 2HH2 ARG 33 -2.122 13.425 -2.340 232 H VAL 34 H VAL 34 5.307 7.402 -2.143 233 HA VAL 34 HA VAL 34 7.663 8.961 -2.318 234 HB VAL 34 HB VAL 34 8.876 6.990 -1.771 235 HG11 VAL 34 1HG1 VAL 34 6.217 7.308 -0.470 236 HG12 VAL 34 2HG1 VAL 34 7.229 5.939 -0.005 237 HG13 VAL 34 3HG1 VAL 34 7.833 7.587 0.179 238 HG21 VAL 34 3HG2 VAL 34 6.434 5.388 -2.531 239 HG22 VAL 34 1HG2 VAL 34 7.900 5.537 -3.501 240 HG23 VAL 34 2HG2 VAL 34 7.962 4.747 -1.925 241 H HIS 35 H HIS 35 6.049 6.784 -4.537 242 HA HIS 35 HA HIS 35 8.253 6.719 -6.398 243 HB2 HIS 35 1HB HIS 35 5.391 5.845 -6.833 244 HB3 HIS 35 2HB HIS 35 6.790 5.397 -7.804 245 HD1 HIS 35 HD1 HIS 35 8.743 4.558 -5.601 246 HD2 HIS 35 HD2 HIS 35 4.732 3.476 -5.676 247 HE1 HIS 35 HE1 HIS 35 8.583 2.472 -4.206 248 H THR 36 H THR 36 5.662 8.817 -5.722 249 HA THR 36 HA THR 36 5.900 10.078 -8.375 250 HB THR 36 HB THR 36 3.598 9.275 -7.446 251 HG1 THR 36 HG1 THR 36 3.411 10.438 -9.248 252 HG21 THR 36 3HG2 THR 36 4.266 10.882 -5.344 253 HG22 THR 36 1HG2 THR 36 2.620 10.404 -5.761 254 HG23 THR 36 2HG2 THR 36 3.252 11.957 -6.307 255 H GLY 37 H GLY 37 5.460 12.526 -8.265 256 HA2 GLY 37 1HA GLY 37 5.631 14.408 -6.555 257 HA3 GLY 37 2HA GLY 37 7.128 13.614 -6.089 258 H GLU 38 H GLU 38 5.976 13.919 -9.395 259 HA GLU 38 HA GLU 38 8.376 14.775 -10.461 260 HB2 GLU 38 1HB GLU 38 5.533 15.065 -11.378 261 HB3 GLU 38 2HB GLU 38 6.842 15.782 -12.305 262 HG2 GLU 38 1HG GLU 38 6.563 13.741 -13.330 263 HG3 GLU 38 2HG GLU 38 7.890 13.426 -12.214 264 H LYS 39 H LYS 39 9.515 16.521 -9.974 265 HA LYS 39 HA LYS 39 8.175 19.119 -9.908 266 HB2 LYS 39 1HB LYS 39 8.290 18.524 -7.576 267 HB3 LYS 39 2HB LYS 39 9.978 18.056 -7.730 268 HG2 LYS 39 1HG LYS 39 10.363 20.508 -8.425 269 HG3 LYS 39 2HG LYS 39 8.776 20.794 -7.705 270 HD2 LYS 39 1HD LYS 39 10.846 19.284 -6.167 271 HD3 LYS 39 2HD LYS 39 10.943 21.044 -6.263 272 HE2 LYS 39 1HE LYS 39 8.593 21.149 -5.446 273 HE3 LYS 39 2HE LYS 39 8.641 19.402 -5.215 274 HZ1 LYS 39 3HZ LYS 39 9.113 20.733 -3.185 275 HZ2 LYS 39 1HZ LYS 39 10.537 21.279 -3.918 276 HZ3 LYS 39 2HZ LYS 39 10.334 19.633 -3.586 277 HA PRO 40 HA PRO 40 11.627 20.275 -12.388 278 HB2 PRO 40 1HB PRO 40 11.466 22.969 -12.095 279 HB3 PRO 40 2HB PRO 40 10.337 22.041 -13.089 280 HG2 PRO 40 1HG PRO 40 9.998 23.072 -10.299 281 HG3 PRO 40 2HG PRO 40 8.843 23.084 -11.644 282 HD2 PRO 40 1HD PRO 40 8.739 21.255 -9.650 283 HD3 PRO 40 2HD PRO 40 8.244 20.882 -11.314 284 H SER 41 H SER 41 13.771 20.631 -12.121 285 HA SER 41 HA SER 41 14.763 20.926 -9.425 286 HB2 SER 41 1HB SER 41 15.700 19.367 -11.257 287 HB3 SER 41 2HB SER 41 16.476 20.814 -11.900 288 HG SER 41 HG SER 41 17.933 20.580 -10.420 289 H GLY 42 H GLY 42 15.412 22.756 -8.503 290 HA2 GLY 42 1HA GLY 42 16.569 24.897 -10.073 291 HA3 GLY 42 2HA GLY 42 15.006 25.277 -9.365 292 HA PRO 43 HA PRO 43 18.337 26.400 -6.327 293 HB2 PRO 43 1HB PRO 43 17.363 28.880 -5.806 294 HB3 PRO 43 2HB PRO 43 18.479 28.546 -7.135 295 HG2 PRO 43 1HG PRO 43 15.503 28.861 -7.194 296 HG3 PRO 43 2HG PRO 43 16.718 29.502 -8.315 297 HD2 PRO 43 1HD PRO 43 15.248 27.296 -8.867 298 HD3 PRO 43 2HD PRO 43 16.914 27.503 -9.445 299 H SER 44 H SER 44 14.885 27.284 -6.168 300 HA SER 44 HA SER 44 14.654 27.327 -3.387 301 HB2 SER 44 1HB SER 44 12.597 26.697 -5.513 302 HB3 SER 44 2HB SER 44 12.204 26.934 -3.810 303 HG SER 44 HG SER 44 12.947 28.781 -5.740 304 H SER 45 H SER 45 15.609 25.630 -2.341 305 HA SER 45 HA SER 45 14.330 23.005 -2.720 306 HB2 SER 45 1HB SER 45 16.646 23.027 -3.641 307 HB3 SER 45 2HB SER 45 17.247 23.454 -2.039 308 HG SER 45 HG SER 45 15.657 21.159 -2.471 309 H GLY 46 H GLY 46 16.260 24.990 -0.478 310 HA2 GLY 46 1HA GLY 46 15.822 25.433 1.763 311 HA3 GLY 46 2HA GLY 46 14.453 24.333 1.685
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