NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504789 | 2en2 | 10231 | 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 -10.176 15.174 -15.198 2 HA2 GLY 1 1HA GLY 1 -8.821 13.976 -17.536 3 HA3 GLY 1 2HA GLY 1 -8.117 15.266 -16.573 4 H SER 2 H SER 2 -7.770 14.740 -14.231 5 HA SER 2 HA SER 2 -5.963 12.824 -13.784 6 HB2 SER 2 1HB SER 2 -8.138 13.600 -11.825 7 HB3 SER 2 2HB SER 2 -6.623 12.804 -11.398 8 HG SER 2 HG SER 2 -7.111 15.440 -12.118 9 H SER 3 H SER 3 -5.986 10.764 -14.398 10 HA SER 3 HA SER 3 -8.328 9.127 -13.675 11 HB2 SER 3 1HB SER 3 -6.819 9.311 -16.236 12 HB3 SER 3 2HB SER 3 -7.380 7.715 -15.738 13 HG SER 3 HG SER 3 -9.493 8.660 -15.542 14 H GLY 4 H GLY 4 -4.931 8.742 -14.717 15 HA2 GLY 4 1HA GLY 4 -4.088 7.507 -12.325 16 HA3 GLY 4 2HA GLY 4 -4.510 6.263 -13.493 17 H SER 5 H SER 5 -2.830 5.510 -14.575 18 HA SER 5 HA SER 5 -0.752 5.335 -15.493 19 HB2 SER 5 1HB SER 5 -1.576 8.107 -16.354 20 HB3 SER 5 2HB SER 5 -0.070 7.365 -16.894 21 HG SER 5 HG SER 5 -2.629 6.897 -17.705 22 H SER 6 H SER 6 -0.636 5.834 -12.804 23 HA SER 6 HA SER 6 1.761 7.533 -12.606 24 HB2 SER 6 1HB SER 6 -0.697 7.529 -10.912 25 HB3 SER 6 2HB SER 6 0.854 7.819 -10.125 26 HG SER 6 HG SER 6 0.955 9.338 -12.186 27 H GLY 7 H GLY 7 3.419 6.206 -12.270 28 HA2 GLY 7 1HA GLY 7 3.380 4.416 -10.000 29 HA3 GLY 7 2HA GLY 7 3.479 3.599 -11.553 30 H GLY 8 H GLY 8 5.086 5.938 -9.450 31 HA2 GLY 8 1HA GLY 8 7.624 5.222 -10.783 32 HA3 GLY 8 2HA GLY 8 7.272 6.867 -10.275 33 H GLU 9 H GLU 9 7.812 7.483 -8.265 34 HA GLU 9 HA GLU 9 9.230 5.581 -6.610 35 HB2 GLU 9 1HB GLU 9 9.514 7.682 -5.138 36 HB3 GLU 9 2HB GLU 9 10.324 7.640 -6.698 37 HG2 GLU 9 1HG GLU 9 8.828 9.146 -7.655 38 HG3 GLU 9 2HG GLU 9 7.624 8.894 -6.393 39 H LYS 10 H LYS 10 8.119 4.300 -5.296 40 HA LYS 10 HA LYS 10 6.273 5.450 -3.392 41 HB2 LYS 10 1HB LYS 10 5.324 3.240 -5.221 42 HB3 LYS 10 2HB LYS 10 4.408 3.996 -3.925 43 HG2 LYS 10 1HG LYS 10 4.602 6.158 -5.187 44 HG3 LYS 10 2HG LYS 10 5.266 5.225 -6.531 45 HD2 LYS 10 1HD LYS 10 3.267 4.210 -6.993 46 HD3 LYS 10 2HD LYS 10 2.703 4.318 -5.323 47 HE2 LYS 10 1HE LYS 10 1.937 6.464 -5.578 48 HE3 LYS 10 2HE LYS 10 3.093 6.840 -6.855 49 HZ1 LYS 10 3HZ LYS 10 1.780 5.886 -8.452 50 HZ2 LYS 10 1HZ LYS 10 0.594 6.501 -7.413 51 HZ3 LYS 10 2HZ LYS 10 0.988 4.857 -7.368 52 HA PRO 11 HA PRO 11 8.707 2.254 -1.338 53 HB2 PRO 11 1HB PRO 11 8.224 3.190 1.164 54 HB3 PRO 11 2HB PRO 11 9.445 3.891 0.095 55 HG2 PRO 11 1HG PRO 11 6.661 4.832 0.665 56 HG3 PRO 11 2HG PRO 11 8.155 5.777 0.529 57 HD2 PRO 11 1HD PRO 11 6.352 5.606 -1.484 58 HD3 PRO 11 2HD PRO 11 8.095 5.776 -1.775 59 H TYR 12 H TYR 12 5.450 3.333 -0.451 60 HA TYR 12 HA TYR 12 4.870 0.823 0.881 61 HB2 TYR 12 1HB TYR 12 2.979 3.102 0.277 62 HB3 TYR 12 2HB TYR 12 2.742 1.807 1.446 63 HD1 TYR 12 HD1 TYR 12 4.033 1.780 3.545 64 HD2 TYR 12 HD2 TYR 12 4.332 5.013 0.796 65 HE1 TYR 12 HE1 TYR 12 5.064 3.165 5.296 66 HE2 TYR 12 HE2 TYR 12 5.366 6.407 2.539 67 HH TYR 12 HH TYR 12 6.743 5.330 5.180 68 H LYS 13 H LYS 13 3.851 -0.870 0.013 69 HA LYS 13 HA LYS 13 2.415 -0.522 -2.524 70 HB2 LYS 13 1HB LYS 13 4.530 -1.356 -3.229 71 HB3 LYS 13 2HB LYS 13 4.576 -2.539 -1.928 72 HG2 LYS 13 1HG LYS 13 2.415 -3.449 -3.093 73 HG3 LYS 13 2HG LYS 13 3.068 -2.595 -4.493 74 HD2 LYS 13 1HD LYS 13 4.870 -3.991 -4.677 75 HD3 LYS 13 2HD LYS 13 4.906 -4.348 -2.948 76 HE2 LYS 13 1HE LYS 13 2.869 -5.715 -3.222 77 HE3 LYS 13 2HE LYS 13 2.915 -5.401 -4.956 78 HZ1 LYS 13 3HZ LYS 13 3.898 -7.539 -4.422 79 HZ2 LYS 13 1HZ LYS 13 5.020 -6.799 -3.395 80 HZ3 LYS 13 2HZ LYS 13 5.068 -6.496 -5.058 81 H CYS 14 H CYS 14 0.581 -1.711 -2.730 82 HA CYS 14 HA CYS 14 -0.354 -3.090 -0.358 83 HB2 CYS 14 1HB CYS 14 -1.856 -1.528 -1.494 84 HB3 CYS 14 2HB CYS 14 -1.745 -2.476 -2.974 85 H GLU 15 H GLU 15 0.087 -5.169 -0.080 86 HA GLU 15 HA GLU 15 0.856 -6.879 -2.244 87 HB2 GLU 15 1HB GLU 15 0.215 -7.600 0.622 88 HB3 GLU 15 2HB GLU 15 1.063 -8.613 -0.539 89 HG2 GLU 15 1HG GLU 15 2.781 -6.738 -0.669 90 HG3 GLU 15 2HG GLU 15 2.009 -6.094 0.779 91 H THR 16 H THR 16 -2.085 -6.223 -0.513 92 HA THR 16 HA THR 16 -3.556 -8.525 -0.996 93 HB THR 16 HB THR 16 -4.476 -5.651 -0.878 94 HG1 THR 16 HG1 THR 16 -5.199 -6.452 1.236 95 HG21 THR 16 3HG2 THR 16 -6.726 -6.710 -0.370 96 HG22 THR 16 1HG2 THR 16 -6.064 -8.205 -1.027 97 HG23 THR 16 2HG2 THR 16 -6.199 -6.776 -2.051 98 H CYS 17 H CYS 17 -3.018 -5.723 -3.089 99 HA CYS 17 HA CYS 17 -4.126 -7.288 -5.326 100 HB2 CYS 17 1HB CYS 17 -5.081 -5.314 -6.286 101 HB3 CYS 17 2HB CYS 17 -5.604 -5.382 -4.605 102 H GLY 18 H GLY 18 -1.831 -4.808 -4.293 103 HA2 GLY 18 1HA GLY 18 0.474 -5.155 -5.148 104 HA3 GLY 18 2HA GLY 18 -0.258 -5.387 -6.729 105 H ALA 19 H ALA 19 -1.711 -2.976 -4.797 106 HA ALA 19 HA ALA 19 -1.047 -0.924 -6.653 107 HB1 ALA 19 3HB ALA 19 -3.169 -1.087 -5.299 108 HB2 ALA 19 1HB ALA 19 -2.232 -0.518 -3.918 109 HB3 ALA 19 2HB ALA 19 -2.409 0.504 -5.345 110 H ARG 20 H ARG 20 -0.380 1.313 -5.549 111 HA ARG 20 HA ARG 20 1.783 0.993 -3.640 112 HB2 ARG 20 1HB ARG 20 2.210 1.756 -6.515 113 HB3 ARG 20 2HB ARG 20 3.299 2.329 -5.259 114 HG2 ARG 20 1HG ARG 20 3.978 0.130 -4.715 115 HG3 ARG 20 2HG ARG 20 2.682 -0.581 -5.679 116 HD2 ARG 20 1HD ARG 20 5.084 0.939 -6.681 117 HD3 ARG 20 2HD ARG 20 4.746 -0.779 -6.891 118 HE ARG 20 HE ARG 20 3.645 1.410 -8.409 119 HH11 ARG 20 1HH1 ARG 20 3.257 -1.910 -7.434 120 HH12 ARG 20 2HH1 ARG 20 2.255 -2.326 -8.785 121 HH21 ARG 20 1HH2 ARG 20 2.327 0.874 -10.192 122 HH22 ARG 20 2HH2 ARG 20 1.727 -0.742 -10.353 123 H PHE 21 H PHE 21 2.628 3.050 -2.879 124 HA PHE 21 HA PHE 21 1.262 5.474 -3.635 125 HB2 PHE 21 1HB PHE 21 0.933 4.545 -0.784 126 HB3 PHE 21 2HB PHE 21 0.157 5.913 -1.575 127 HD1 PHE 21 HD2 PHE 21 0.382 2.203 -1.740 128 HD2 PHE 21 HD1 PHE 21 -1.973 5.680 -2.434 129 HE1 PHE 21 HE2 PHE 21 -1.547 0.781 -2.294 130 HE2 PHE 21 HE1 PHE 21 -3.907 4.263 -2.989 131 HZ PHE 21 HZ PHE 21 -3.695 1.810 -2.920 132 H VAL 22 H VAL 22 2.097 7.366 -2.485 133 HA VAL 22 HA VAL 22 4.932 7.113 -2.043 134 HB VAL 22 HB VAL 22 4.375 9.056 -3.217 135 HG11 VAL 22 1HG1 VAL 22 2.047 9.093 -1.426 136 HG12 VAL 22 2HG1 VAL 22 2.698 10.681 -1.838 137 HG13 VAL 22 3HG1 VAL 22 2.189 9.576 -3.116 138 HG21 VAL 22 3HG2 VAL 22 4.619 10.052 -0.384 139 HG22 VAL 22 1HG2 VAL 22 5.966 9.393 -1.311 140 HG23 VAL 22 2HG2 VAL 22 5.151 10.859 -1.859 141 H GLN 23 H GLN 23 2.072 7.747 -0.092 142 HA GLN 23 HA GLN 23 3.763 7.578 2.315 143 HB2 GLN 23 1HB GLN 23 1.509 9.413 1.644 144 HB3 GLN 23 2HB GLN 23 1.696 8.899 3.316 145 HG2 GLN 23 1HG GLN 23 4.078 9.949 1.885 146 HG3 GLN 23 2HG GLN 23 2.836 11.085 2.410 147 HE21 GLN 23 1HE2 GLN 23 5.196 8.735 3.446 148 HE22 GLN 23 2HE2 GLN 23 5.268 9.242 5.096 149 H VAL 24 H VAL 24 3.036 6.327 4.011 150 HA VAL 24 HA VAL 24 1.508 4.072 3.427 151 HB VAL 24 HB VAL 24 3.141 4.632 5.436 152 HG11 VAL 24 1HG1 VAL 24 0.443 4.937 6.744 153 HG12 VAL 24 2HG1 VAL 24 2.027 5.012 7.518 154 HG13 VAL 24 3HG1 VAL 24 1.531 6.281 6.398 155 HG21 VAL 24 3HG2 VAL 24 1.820 2.461 4.685 156 HG22 VAL 24 1HG2 VAL 24 2.689 2.536 6.218 157 HG23 VAL 24 2HG2 VAL 24 0.943 2.777 6.182 158 H ALA 25 H ALA 25 0.585 7.111 4.977 159 HA ALA 25 HA ALA 25 -1.922 6.523 5.920 160 HB1 ALA 25 3HB ALA 25 -1.510 8.666 6.442 161 HB2 ALA 25 1HB ALA 25 -0.567 8.947 4.978 162 HB3 ALA 25 2HB ALA 25 -2.329 9.017 4.920 163 H HIS 26 H HIS 26 -0.892 6.858 2.610 164 HA HIS 26 HA HIS 26 -3.582 6.979 1.561 165 HB2 HIS 26 1HB HIS 26 -1.055 6.442 0.002 166 HB3 HIS 26 2HB HIS 26 -2.575 7.098 -0.597 167 HD1 HIS 26 HD1 HIS 26 -0.549 8.884 -1.420 168 HD2 HIS 26 HD2 HIS 26 -1.868 9.008 2.518 169 HE1 HIS 26 HE1 HIS 26 0.115 11.152 -0.559 170 H LEU 27 H LEU 27 -0.911 4.623 1.464 171 HA LEU 27 HA LEU 27 -2.310 2.587 0.148 172 HB2 LEU 27 1HB LEU 27 0.009 2.352 0.237 173 HB3 LEU 27 2HB LEU 27 0.061 2.618 1.978 174 HG LEU 27 HG LEU 27 -0.895 0.404 2.354 175 HD11 LEU 27 1HD1 LEU 27 -1.324 -1.135 0.587 176 HD12 LEU 27 2HD1 LEU 27 -0.695 -0.015 -0.621 177 HD13 LEU 27 3HD1 LEU 27 -2.200 0.352 0.222 178 HD21 LEU 27 3HD2 LEU 27 1.016 -0.937 1.461 179 HD22 LEU 27 1HD2 LEU 27 1.490 0.527 2.324 180 HD23 LEU 27 2HD2 LEU 27 1.525 0.493 0.561 181 H ARG 28 H ARG 28 -1.676 2.972 3.637 182 HA ARG 28 HA ARG 28 -3.163 0.790 4.517 183 HB2 ARG 28 1HB ARG 28 -3.024 1.714 6.681 184 HB3 ARG 28 2HB ARG 28 -1.578 2.277 5.853 185 HG2 ARG 28 1HG ARG 28 -2.654 4.435 5.445 186 HG3 ARG 28 2HG ARG 28 -4.097 3.869 6.288 187 HD2 ARG 28 1HD ARG 28 -2.573 3.440 8.278 188 HD3 ARG 28 2HD ARG 28 -1.356 4.377 7.413 189 HE ARG 28 HE ARG 28 -3.919 5.679 7.742 190 HH11 ARG 28 1HH1 ARG 28 -0.715 5.183 9.011 191 HH12 ARG 28 2HH1 ARG 28 -0.718 6.641 9.946 192 HH21 ARG 28 1HH2 ARG 28 -3.935 7.602 8.969 193 HH22 ARG 28 2HH2 ARG 28 -2.551 8.016 9.922 194 H ALA 29 H ALA 29 -4.213 3.781 3.223 195 HA ALA 29 HA ALA 29 -6.887 3.559 4.360 196 HB1 ALA 29 3HB ALA 29 -6.132 5.781 4.307 197 HB2 ALA 29 1HB ALA 29 -5.535 5.628 2.654 198 HB3 ALA 29 2HB ALA 29 -7.271 5.657 2.966 199 H HIS 30 H HIS 30 -5.191 2.472 1.650 200 HA HIS 30 HA HIS 30 -7.600 2.285 -0.006 201 HB2 HIS 30 1HB HIS 30 -5.931 3.005 -1.417 202 HB3 HIS 30 2HB HIS 30 -4.671 2.139 -0.544 203 HD1 HIS 30 HD1 HIS 30 -6.981 1.851 -3.402 204 HD2 HIS 30 HD2 HIS 30 -4.474 -0.640 -1.217 205 HE1 HIS 30 HE1 HIS 30 -6.724 -0.230 -4.790 206 H VAL 31 H VAL 31 -5.271 0.333 1.734 207 HA VAL 31 HA VAL 31 -5.996 -2.187 0.704 208 HB VAL 31 HB VAL 31 -5.169 -2.903 3.126 209 HG11 VAL 31 1HG1 VAL 31 -3.994 -3.427 1.088 210 HG12 VAL 31 2HG1 VAL 31 -3.414 -1.765 0.953 211 HG13 VAL 31 3HG1 VAL 31 -2.849 -2.794 2.270 212 HG21 VAL 31 3HG2 VAL 31 -5.225 -0.239 3.538 213 HG22 VAL 31 1HG2 VAL 31 -4.140 -1.340 4.387 214 HG23 VAL 31 2HG2 VAL 31 -3.561 -0.436 2.988 215 H LEU 32 H LEU 32 -7.606 -0.059 2.841 216 HA LEU 32 HA LEU 32 -9.095 -1.949 4.341 217 HB2 LEU 32 1HB LEU 32 -9.890 0.871 3.645 218 HB3 LEU 32 2HB LEU 32 -10.479 -0.097 4.994 219 HG LEU 32 HG LEU 32 -7.653 0.915 4.687 220 HD11 LEU 32 1HD1 LEU 32 -8.466 2.859 5.396 221 HD12 LEU 32 2HD1 LEU 32 -8.816 2.058 6.927 222 HD13 LEU 32 3HD1 LEU 32 -10.063 2.169 5.685 223 HD21 LEU 32 3HD2 LEU 32 -8.649 0.049 7.304 224 HD22 LEU 32 1HD2 LEU 32 -7.096 -0.247 6.523 225 HD23 LEU 32 2HD2 LEU 32 -8.494 -1.244 6.114 226 H ILE 33 H ILE 33 -9.317 -0.840 1.115 227 HA ILE 33 HA ILE 33 -12.070 -1.110 0.632 228 HB ILE 33 HB ILE 33 -11.545 -1.216 -1.698 229 HG12 ILE 33 1HG1 ILE 33 -8.796 -2.028 -0.759 230 HG13 ILE 33 2HG1 ILE 33 -9.887 -2.914 -1.819 231 HG21 ILE 33 1HG2 ILE 33 -9.778 0.636 -1.848 232 HG22 ILE 33 2HG2 ILE 33 -11.244 0.965 -0.926 233 HG23 ILE 33 3HG2 ILE 33 -9.747 0.561 -0.086 234 HD11 ILE 33 3HD1 ILE 33 -8.323 -2.097 -3.289 235 HD12 ILE 33 1HD1 ILE 33 -9.592 -0.877 -3.393 236 HD13 ILE 33 2HD1 ILE 33 -8.150 -0.570 -2.424 237 H HIS 34 H HIS 34 -9.422 -3.457 0.405 238 HA HIS 34 HA HIS 34 -11.152 -5.589 -0.440 239 HB2 HIS 34 1HB HIS 34 -8.423 -6.029 0.726 240 HB3 HIS 34 2HB HIS 34 -9.237 -6.916 -0.560 241 HD1 HIS 34 HD1 HIS 34 -9.196 -5.849 -2.941 242 HD2 HIS 34 HD2 HIS 34 -6.965 -3.811 -0.090 243 HE1 HIS 34 HE1 HIS 34 -7.735 -4.265 -4.237 244 H THR 35 H THR 35 -9.088 -5.306 2.455 245 HA THR 35 HA THR 35 -10.284 -7.331 3.924 246 HB THR 35 HB THR 35 -8.150 -6.265 4.558 247 HG1 THR 35 HG1 THR 35 -9.860 -7.279 6.117 248 HG21 THR 35 3HG2 THR 35 -9.862 -3.999 5.585 249 HG22 THR 35 1HG2 THR 35 -8.857 -3.923 4.138 250 HG23 THR 35 2HG2 THR 35 -8.110 -4.144 5.720 251 H GLY 36 H GLY 36 -11.196 -3.943 3.606 252 HA2 GLY 36 1HA GLY 36 -13.492 -4.436 5.390 253 HA3 GLY 36 2HA GLY 36 -12.813 -2.853 5.043 254 H SER 37 H SER 37 -15.141 -2.397 4.634 255 HA SER 37 HA SER 37 -15.632 -2.463 1.802 256 HB2 SER 37 1HB SER 37 -16.558 -4.641 2.420 257 HB3 SER 37 2HB SER 37 -17.546 -3.885 3.670 258 HG SER 37 HG SER 37 -18.409 -2.597 1.813 259 H GLY 38 H GLY 38 -16.270 -0.468 1.354 260 HA2 GLY 38 1HA GLY 38 -17.724 1.045 3.417 261 HA3 GLY 38 2HA GLY 38 -16.799 1.750 2.100 262 HA PRO 39 HA PRO 39 -20.583 2.361 -0.047 263 HB2 PRO 39 1HB PRO 39 -19.623 2.569 -2.578 264 HB3 PRO 39 2HB PRO 39 -19.424 3.842 -1.367 265 HG2 PRO 39 1HG PRO 39 -17.480 1.741 -2.244 266 HG3 PRO 39 2HG PRO 39 -17.199 3.463 -1.927 267 HD2 PRO 39 1HD PRO 39 -16.571 1.530 -0.138 268 HD3 PRO 39 2HD PRO 39 -17.093 3.153 0.355 269 H SER 40 H SER 40 -21.841 1.478 -1.919 270 HA SER 40 HA SER 40 -21.642 -1.419 -1.906 271 HB2 SER 40 1HB SER 40 -23.837 -1.268 -3.150 272 HB3 SER 40 2HB SER 40 -23.844 -0.546 -1.541 273 HG SER 40 HG SER 40 -24.689 0.644 -3.578 274 H SER 41 H SER 41 -19.545 -0.182 -3.280 275 HA SER 41 HA SER 41 -19.730 -1.509 -5.803 276 HB2 SER 41 1HB SER 41 -19.236 0.561 -7.164 277 HB3 SER 41 2HB SER 41 -20.878 0.467 -6.529 278 HG SER 41 HG SER 41 -18.816 2.206 -5.885 279 H GLY 42 H GLY 42 -17.788 -2.354 -6.143 280 HA2 GLY 42 1HA GLY 42 -15.408 -1.748 -6.606 281 HA3 GLY 42 2HA GLY 42 -15.442 -0.920 -5.057 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.048 -10.569 -23.993 2 HA2 GLY 1 1HA GLY 1 -0.063 -11.181 -25.697 3 HA3 GLY 1 2HA GLY 1 -0.417 -9.520 -26.150 4 H SER 2 H SER 2 0.993 -8.160 -25.295 5 HA SER 2 HA SER 2 1.808 -8.565 -22.496 6 HB2 SER 2 1HB SER 2 3.602 -7.693 -24.775 7 HB3 SER 2 2HB SER 2 4.073 -7.771 -23.077 8 HG SER 2 HG SER 2 3.188 -10.105 -23.449 9 H SER 3 H SER 3 0.470 -7.007 -21.663 10 HA SER 3 HA SER 3 1.154 -4.244 -22.376 11 HB2 SER 3 1HB SER 3 -1.617 -5.420 -22.177 12 HB3 SER 3 2HB SER 3 -1.319 -3.690 -22.007 13 HG SER 3 HG SER 3 -1.020 -3.548 -24.085 14 H GLY 4 H GLY 4 0.966 -2.735 -20.689 15 HA2 GLY 4 1HA GLY 4 0.051 -2.375 -18.378 16 HA3 GLY 4 2HA GLY 4 0.704 -3.966 -18.016 17 H SER 5 H SER 5 1.410 -0.608 -18.455 18 HA SER 5 HA SER 5 4.250 -1.095 -17.872 19 HB2 SER 5 1HB SER 5 4.555 1.295 -18.580 20 HB3 SER 5 2HB SER 5 3.945 0.241 -19.856 21 HG SER 5 HG SER 5 2.051 1.230 -19.795 22 H SER 6 H SER 6 4.708 -1.026 -15.778 23 HA SER 6 HA SER 6 3.358 0.998 -14.113 24 HB2 SER 6 1HB SER 6 4.260 -1.801 -13.447 25 HB3 SER 6 2HB SER 6 3.936 -0.603 -12.194 26 HG SER 6 HG SER 6 2.137 -2.029 -12.846 27 H GLY 7 H GLY 7 4.587 2.171 -12.643 28 HA2 GLY 7 1HA GLY 7 7.159 1.801 -11.803 29 HA3 GLY 7 2HA GLY 7 7.338 2.542 -13.386 30 H GLY 8 H GLY 8 6.499 3.030 -10.074 31 HA2 GLY 8 1HA GLY 8 6.629 5.913 -10.493 32 HA3 GLY 8 2HA GLY 8 5.133 5.293 -9.810 33 H GLU 9 H GLU 9 7.887 6.761 -8.984 34 HA GLU 9 HA GLU 9 9.086 5.441 -6.917 35 HB2 GLU 9 1HB GLU 9 9.377 7.736 -5.861 36 HB3 GLU 9 2HB GLU 9 9.952 7.555 -7.513 37 HG2 GLU 9 1HG GLU 9 8.107 8.738 -8.388 38 HG3 GLU 9 2HG GLU 9 7.243 8.668 -6.853 39 H LYS 10 H LYS 10 7.883 4.173 -5.594 40 HA LYS 10 HA LYS 10 6.315 5.513 -3.564 41 HB2 LYS 10 1HB LYS 10 5.072 3.346 -5.268 42 HB3 LYS 10 2HB LYS 10 4.337 4.096 -3.857 43 HG2 LYS 10 1HG LYS 10 4.289 6.242 -5.010 44 HG3 LYS 10 2HG LYS 10 5.048 5.505 -6.423 45 HD2 LYS 10 1HD LYS 10 3.147 4.385 -7.030 46 HD3 LYS 10 2HD LYS 10 2.553 4.274 -5.371 47 HE2 LYS 10 1HE LYS 10 1.769 6.486 -5.390 48 HE3 LYS 10 2HE LYS 10 2.716 6.900 -6.818 49 HZ1 LYS 10 3HZ LYS 10 0.149 5.532 -6.623 50 HZ2 LYS 10 1HZ LYS 10 1.205 4.994 -7.830 51 HZ3 LYS 10 2HZ LYS 10 0.715 6.612 -7.796 52 HA PRO 11 HA PRO 11 8.656 2.289 -1.506 53 HB2 PRO 11 1HB PRO 11 8.171 3.208 1.002 54 HB3 PRO 11 2HB PRO 11 9.384 3.924 -0.065 55 HG2 PRO 11 1HG PRO 11 6.593 4.840 0.514 56 HG3 PRO 11 2HG PRO 11 8.080 5.797 0.381 57 HD2 PRO 11 1HD PRO 11 6.275 5.623 -1.630 58 HD3 PRO 11 2HD PRO 11 8.016 5.809 -1.923 59 H TYR 12 H TYR 12 5.450 3.377 -0.404 60 HA TYR 12 HA TYR 12 4.877 0.851 0.854 61 HB2 TYR 12 1HB TYR 12 2.947 3.095 0.246 62 HB3 TYR 12 2HB TYR 12 2.753 1.815 1.439 63 HD1 TYR 12 HD1 TYR 12 3.945 1.896 3.557 64 HD2 TYR 12 HD2 TYR 12 4.403 4.991 0.673 65 HE1 TYR 12 HE1 TYR 12 4.977 3.329 5.268 66 HE2 TYR 12 HE2 TYR 12 5.438 6.432 2.377 67 HH TYR 12 HH TYR 12 5.376 6.609 4.921 68 H LYS 13 H LYS 13 3.877 -0.859 -0.001 69 HA LYS 13 HA LYS 13 2.425 -0.540 -2.534 70 HB2 LYS 13 1HB LYS 13 4.548 -1.366 -3.233 71 HB3 LYS 13 2HB LYS 13 4.597 -2.543 -1.927 72 HG2 LYS 13 1HG LYS 13 2.429 -3.451 -3.098 73 HG3 LYS 13 2HG LYS 13 3.109 -2.621 -4.499 74 HD2 LYS 13 1HD LYS 13 4.897 -4.038 -4.641 75 HD3 LYS 13 2HD LYS 13 4.912 -4.367 -2.907 76 HE2 LYS 13 1HE LYS 13 3.202 -5.939 -3.069 77 HE3 LYS 13 2HE LYS 13 2.658 -5.328 -4.630 78 HZ1 LYS 13 3HZ LYS 13 3.772 -7.153 -5.327 79 HZ2 LYS 13 1HZ LYS 13 4.836 -7.167 -4.011 80 HZ3 LYS 13 2HZ LYS 13 5.088 -6.089 -5.290 81 H CYS 14 H CYS 14 0.581 -1.707 -2.701 82 HA CYS 14 HA CYS 14 -0.331 -3.085 -0.322 83 HB2 CYS 14 1HB CYS 14 -1.838 -1.532 -1.475 84 HB3 CYS 14 2HB CYS 14 -1.742 -2.509 -2.936 85 H GLU 15 H GLU 15 0.104 -5.162 -0.030 86 HA GLU 15 HA GLU 15 0.875 -6.886 -2.184 87 HB2 GLU 15 1HB GLU 15 0.247 -7.587 0.689 88 HB3 GLU 15 2HB GLU 15 1.093 -8.606 -0.468 89 HG2 GLU 15 1HG GLU 15 2.791 -6.695 -0.617 90 HG3 GLU 15 2HG GLU 15 2.036 -6.094 0.858 91 H THR 16 H THR 16 -2.064 -6.208 -0.467 92 HA THR 16 HA THR 16 -3.529 -8.526 -0.927 93 HB THR 16 HB THR 16 -4.445 -5.652 -0.792 94 HG1 THR 16 HG1 THR 16 -3.698 -6.355 1.175 95 HG21 THR 16 3HG2 THR 16 -6.052 -8.194 -0.963 96 HG22 THR 16 1HG2 THR 16 -6.164 -6.766 -1.992 97 HG23 THR 16 2HG2 THR 16 -6.705 -6.690 -0.315 98 H CYS 17 H CYS 17 -2.972 -5.744 -3.034 99 HA CYS 17 HA CYS 17 -4.104 -7.306 -5.259 100 HB2 CYS 17 1HB CYS 17 -5.041 -5.318 -6.228 101 HB3 CYS 17 2HB CYS 17 -5.587 -5.411 -4.556 102 H GLY 18 H GLY 18 -1.813 -4.808 -4.255 103 HA2 GLY 18 1HA GLY 18 0.493 -5.163 -5.113 104 HA3 GLY 18 2HA GLY 18 -0.245 -5.406 -6.689 105 H ALA 19 H ALA 19 -1.690 -2.984 -4.762 106 HA ALA 19 HA ALA 19 -1.028 -0.942 -6.635 107 HB1 ALA 19 3HB ALA 19 -3.130 -1.189 -5.142 108 HB2 ALA 19 1HB ALA 19 -2.155 -0.365 -3.925 109 HB3 ALA 19 2HB ALA 19 -2.490 0.422 -5.467 110 H ARG 20 H ARG 20 -0.377 1.304 -5.528 111 HA ARG 20 HA ARG 20 1.788 0.993 -3.619 112 HB2 ARG 20 1HB ARG 20 2.206 1.743 -6.497 113 HB3 ARG 20 2HB ARG 20 3.284 2.355 -5.249 114 HG2 ARG 20 1HG ARG 20 3.951 0.142 -4.644 115 HG3 ARG 20 2HG ARG 20 2.729 -0.567 -5.701 116 HD2 ARG 20 1HD ARG 20 4.552 -0.744 -7.060 117 HD3 ARG 20 2HD ARG 20 3.996 0.863 -7.527 118 HE ARG 20 HE ARG 20 5.719 1.387 -5.521 119 HH11 ARG 20 1HH1 ARG 20 5.965 -0.536 -8.412 120 HH12 ARG 20 2HH1 ARG 20 7.668 -0.279 -8.595 121 HH21 ARG 20 1HH2 ARG 20 7.962 1.733 -5.751 122 HH22 ARG 20 2HH2 ARG 20 8.803 1.011 -7.080 123 H PHE 21 H PHE 21 2.630 3.059 -2.867 124 HA PHE 21 HA PHE 21 1.251 5.476 -3.615 125 HB2 PHE 21 1HB PHE 21 0.918 4.537 -0.768 126 HB3 PHE 21 2HB PHE 21 0.142 5.907 -1.554 127 HD1 PHE 21 HD2 PHE 21 0.366 2.198 -1.713 128 HD2 PHE 21 HD1 PHE 21 -1.979 5.674 -2.443 129 HE1 PHE 21 HE2 PHE 21 -1.560 0.775 -2.279 130 HE2 PHE 21 HE1 PHE 21 -3.909 4.257 -3.009 131 HZ PHE 21 HZ PHE 21 -3.701 1.804 -2.929 132 H VAL 22 H VAL 22 2.095 7.370 -2.507 133 HA VAL 22 HA VAL 22 4.922 7.138 -2.057 134 HB VAL 22 HB VAL 22 4.304 9.087 -3.209 135 HG11 VAL 22 1HG1 VAL 22 1.985 9.238 -2.821 136 HG12 VAL 22 2HG1 VAL 22 2.209 9.437 -1.082 137 HG13 VAL 22 3HG1 VAL 22 2.667 10.735 -2.185 138 HG21 VAL 22 3HG2 VAL 22 5.100 10.887 -1.829 139 HG22 VAL 22 1HG2 VAL 22 4.685 10.001 -0.361 140 HG23 VAL 22 2HG2 VAL 22 5.984 9.422 -1.405 141 H GLN 23 H GLN 23 2.076 7.770 -0.075 142 HA GLN 23 HA GLN 23 3.783 7.546 2.316 143 HB2 GLN 23 1HB GLN 23 1.565 9.429 1.675 144 HB3 GLN 23 2HB GLN 23 1.718 8.875 3.338 145 HG2 GLN 23 1HG GLN 23 4.133 9.917 1.952 146 HG3 GLN 23 2HG GLN 23 2.911 11.057 2.509 147 HE21 GLN 23 1HE2 GLN 23 5.151 8.555 3.502 148 HE22 GLN 23 2HE2 GLN 23 5.255 9.038 5.157 149 H VAL 24 H VAL 24 3.007 6.335 4.042 150 HA VAL 24 HA VAL 24 1.490 4.075 3.447 151 HB VAL 24 HB VAL 24 3.086 4.646 5.480 152 HG11 VAL 24 1HG1 VAL 24 1.585 6.311 6.461 153 HG12 VAL 24 2HG1 VAL 24 0.341 5.075 6.655 154 HG13 VAL 24 3HG1 VAL 24 1.851 4.956 7.558 155 HG21 VAL 24 3HG2 VAL 24 1.270 2.563 4.839 156 HG22 VAL 24 1HG2 VAL 24 2.755 2.473 5.787 157 HG23 VAL 24 2HG2 VAL 24 1.218 2.809 6.584 158 H ALA 25 H ALA 25 0.544 7.101 5.025 159 HA ALA 25 HA ALA 25 -1.979 6.530 5.901 160 HB1 ALA 25 3HB ALA 25 -2.221 9.050 4.705 161 HB2 ALA 25 1HB ALA 25 -1.805 8.689 6.381 162 HB3 ALA 25 2HB ALA 25 -0.529 8.902 5.181 163 H HIS 26 H HIS 26 -0.895 6.844 2.607 164 HA HIS 26 HA HIS 26 -3.568 6.959 1.513 165 HB2 HIS 26 1HB HIS 26 -1.024 6.408 -0.011 166 HB3 HIS 26 2HB HIS 26 -2.531 7.081 -0.625 167 HD1 HIS 26 HD1 HIS 26 -0.513 8.863 -1.435 168 HD2 HIS 26 HD2 HIS 26 -1.800 8.961 2.514 169 HE1 HIS 26 HE1 HIS 26 0.175 11.118 -0.559 170 H LEU 27 H LEU 27 -0.896 4.603 1.486 171 HA LEU 27 HA LEU 27 -2.283 2.559 0.158 172 HB2 LEU 27 1HB LEU 27 0.033 2.323 0.253 173 HB3 LEU 27 2HB LEU 27 0.084 2.610 1.991 174 HG LEU 27 HG LEU 27 -0.892 0.397 2.381 175 HD11 LEU 27 1HD1 LEU 27 -0.610 -0.051 -0.583 176 HD12 LEU 27 2HD1 LEU 27 -2.139 0.307 0.219 177 HD13 LEU 27 3HD1 LEU 27 -1.258 -1.167 0.619 178 HD21 LEU 27 3HD2 LEU 27 1.508 0.578 2.386 179 HD22 LEU 27 1HD2 LEU 27 1.562 0.433 0.629 180 HD23 LEU 27 2HD2 LEU 27 1.048 -0.939 1.611 181 H ARG 28 H ARG 28 -1.654 2.953 3.647 182 HA ARG 28 HA ARG 28 -3.153 0.774 4.524 183 HB2 ARG 28 1HB ARG 28 -3.013 1.699 6.693 184 HB3 ARG 28 2HB ARG 28 -1.553 2.227 5.866 185 HG2 ARG 28 1HG ARG 28 -2.649 4.400 5.414 186 HG3 ARG 28 2HG ARG 28 -4.030 3.860 6.370 187 HD2 ARG 28 1HD ARG 28 -1.226 3.922 7.455 188 HD3 ARG 28 2HD ARG 28 -2.315 5.305 7.559 189 HE ARG 28 HE ARG 28 -3.771 3.284 8.618 190 HH11 ARG 28 1HH1 ARG 28 -0.579 4.525 9.242 191 HH12 ARG 28 2HH1 ARG 28 -0.597 4.092 10.920 192 HH21 ARG 28 1HH2 ARG 28 -3.807 2.710 10.825 193 HH22 ARG 28 2HH2 ARG 28 -2.434 3.059 11.819 194 H ALA 29 H ALA 29 -4.185 3.753 3.209 195 HA ALA 29 HA ALA 29 -6.856 3.565 4.366 196 HB1 ALA 29 3HB ALA 29 -6.254 5.782 4.323 197 HB2 ALA 29 1HB ALA 29 -5.391 5.631 2.792 198 HB3 ALA 29 2HB ALA 29 -7.155 5.648 2.813 199 H HIS 30 H HIS 30 -5.176 2.464 1.650 200 HA HIS 30 HA HIS 30 -7.593 2.291 0.003 201 HB2 HIS 30 1HB HIS 30 -5.934 2.994 -1.422 202 HB3 HIS 30 2HB HIS 30 -4.669 2.139 -0.545 203 HD1 HIS 30 HD1 HIS 30 -6.969 1.828 -3.404 204 HD2 HIS 30 HD2 HIS 30 -4.481 -0.653 -1.187 205 HE1 HIS 30 HE1 HIS 30 -6.713 -0.266 -4.774 206 H VAL 31 H VAL 31 -5.262 0.323 1.726 207 HA VAL 31 HA VAL 31 -5.999 -2.192 0.703 208 HB VAL 31 HB VAL 31 -5.187 -2.910 3.129 209 HG11 VAL 31 1HG1 VAL 31 -3.476 -1.817 0.905 210 HG12 VAL 31 2HG1 VAL 31 -2.835 -2.730 2.273 211 HG13 VAL 31 3HG1 VAL 31 -3.977 -3.488 1.162 212 HG21 VAL 31 3HG2 VAL 31 -5.230 -0.242 3.534 213 HG22 VAL 31 1HG2 VAL 31 -4.160 -1.349 4.394 214 HG23 VAL 31 2HG2 VAL 31 -3.563 -0.454 2.997 215 H LEU 32 H LEU 32 -7.599 -0.060 2.852 216 HA LEU 32 HA LEU 32 -9.104 -1.942 4.340 217 HB2 LEU 32 1HB LEU 32 -9.922 0.869 3.640 218 HB3 LEU 32 2HB LEU 32 -10.463 -0.095 5.013 219 HG LEU 32 HG LEU 32 -7.645 0.914 4.634 220 HD11 LEU 32 1HD1 LEU 32 -9.349 1.987 6.783 221 HD12 LEU 32 2HD1 LEU 32 -9.756 2.505 5.147 222 HD13 LEU 32 3HD1 LEU 32 -8.136 2.787 5.783 223 HD21 LEU 32 3HD2 LEU 32 -8.846 -0.039 7.199 224 HD22 LEU 32 1HD2 LEU 32 -7.153 0.042 6.714 225 HD23 LEU 32 2HD2 LEU 32 -8.204 -1.202 6.038 226 H ILE 33 H ILE 33 -9.330 -0.801 1.118 227 HA ILE 33 HA ILE 33 -12.069 -1.059 0.615 228 HB ILE 33 HB ILE 33 -11.529 -1.210 -1.712 229 HG12 ILE 33 1HG1 ILE 33 -8.795 -2.027 -0.736 230 HG13 ILE 33 2HG1 ILE 33 -9.883 -2.922 -1.791 231 HG21 ILE 33 1HG2 ILE 33 -9.722 0.620 -1.857 232 HG22 ILE 33 2HG2 ILE 33 -11.218 0.981 -0.996 233 HG23 ILE 33 3HG2 ILE 33 -9.756 0.582 -0.094 234 HD11 ILE 33 3HD1 ILE 33 -8.176 -0.551 -2.423 235 HD12 ILE 33 1HD1 ILE 33 -8.243 -2.123 -3.220 236 HD13 ILE 33 2HD1 ILE 33 -9.564 -0.973 -3.426 237 H HIS 34 H HIS 34 -9.458 -3.452 0.412 238 HA HIS 34 HA HIS 34 -11.208 -5.564 -0.424 239 HB2 HIS 34 1HB HIS 34 -8.512 -6.041 0.802 240 HB3 HIS 34 2HB HIS 34 -9.313 -6.922 -0.496 241 HD1 HIS 34 HD1 HIS 34 -9.188 -5.883 -2.883 242 HD2 HIS 34 HD2 HIS 34 -7.008 -3.843 0.006 243 HE1 HIS 34 HE1 HIS 34 -7.673 -4.331 -4.155 244 H THR 35 H THR 35 -9.285 -5.110 2.549 245 HA THR 35 HA THR 35 -10.656 -7.133 3.986 246 HB THR 35 HB THR 35 -8.370 -6.379 4.567 247 HG1 THR 35 HG1 THR 35 -9.560 -7.447 6.168 248 HG21 THR 35 3HG2 THR 35 -9.749 -3.933 5.678 249 HG22 THR 35 1HG2 THR 35 -8.749 -3.958 4.226 250 HG23 THR 35 2HG2 THR 35 -8.031 -4.315 5.797 251 H GLY 36 H GLY 36 -12.411 -7.061 5.285 252 HA2 GLY 36 1HA GLY 36 -13.574 -4.431 5.910 253 HA3 GLY 36 2HA GLY 36 -14.568 -5.652 5.129 254 H SER 37 H SER 37 -12.164 -6.015 7.713 255 HA SER 37 HA SER 37 -12.352 -7.303 9.626 256 HB2 SER 37 1HB SER 37 -12.802 -4.990 10.337 257 HB3 SER 37 2HB SER 37 -14.522 -5.227 10.028 258 HG SER 37 HG SER 37 -13.500 -5.575 12.277 259 H GLY 38 H GLY 38 -13.724 -8.600 7.575 260 HA2 GLY 38 1HA GLY 38 -16.281 -9.426 8.751 261 HA3 GLY 38 2HA GLY 38 -15.729 -9.793 7.124 262 HA PRO 39 HA PRO 39 -14.672 -13.166 10.408 263 HB2 PRO 39 1HB PRO 39 -16.949 -14.643 10.431 264 HB3 PRO 39 2HB PRO 39 -16.647 -13.326 11.571 265 HG2 PRO 39 1HG PRO 39 -18.277 -13.321 9.060 266 HG3 PRO 39 2HG PRO 39 -18.650 -12.603 10.637 267 HD2 PRO 39 1HD PRO 39 -17.718 -11.144 8.556 268 HD3 PRO 39 2HD PRO 39 -17.338 -10.749 10.245 269 H SER 40 H SER 40 -16.655 -13.320 7.482 270 HA SER 40 HA SER 40 -15.005 -15.587 6.576 271 HB2 SER 40 1HB SER 40 -16.891 -16.610 5.536 272 HB3 SER 40 2HB SER 40 -17.406 -16.184 7.168 273 HG SER 40 HG SER 40 -18.429 -15.392 4.821 274 H SER 41 H SER 41 -14.230 -13.017 6.060 275 HA SER 41 HA SER 41 -15.236 -12.081 3.545 276 HB2 SER 41 1HB SER 41 -13.052 -11.276 5.413 277 HB3 SER 41 2HB SER 41 -12.958 -10.719 3.742 278 HG SER 41 HG SER 41 -14.821 -9.611 3.992 279 H GLY 42 H GLY 42 -12.172 -13.587 4.573 280 HA2 GLY 42 1HA GLY 42 -11.530 -15.476 2.990 281 HA3 GLY 42 2HA GLY 42 -11.659 -14.245 1.742 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -3.743 -2.966 -17.974 2 HA2 GLY 1 1HA GLY 1 -2.030 -4.043 -19.062 3 HA3 GLY 1 2HA GLY 1 -2.158 -2.814 -20.311 4 H SER 2 H SER 2 0.152 -4.158 -18.855 5 HA SER 2 HA SER 2 1.440 -1.999 -17.448 6 HB2 SER 2 1HB SER 2 1.968 -4.184 -16.665 7 HB3 SER 2 2HB SER 2 2.347 -4.753 -18.291 8 HG SER 2 HG SER 2 4.286 -3.943 -18.118 9 H SER 3 H SER 3 1.500 -0.350 -19.022 10 HA SER 3 HA SER 3 3.633 -0.720 -21.011 11 HB2 SER 3 1HB SER 3 2.409 0.377 -22.719 12 HB3 SER 3 2HB SER 3 1.278 -0.779 -22.014 13 HG SER 3 HG SER 3 0.043 0.857 -21.604 14 H GLY 4 H GLY 4 4.945 1.056 -21.381 15 HA2 GLY 4 1HA GLY 4 6.150 2.879 -20.633 16 HA3 GLY 4 2HA GLY 4 4.597 3.686 -20.791 17 H SER 5 H SER 5 5.844 1.268 -18.491 18 HA SER 5 HA SER 5 5.084 3.110 -16.319 19 HB2 SER 5 1HB SER 5 4.916 0.108 -16.514 20 HB3 SER 5 2HB SER 5 4.918 0.930 -14.953 21 HG SER 5 HG SER 5 2.911 0.661 -16.748 22 H SER 6 H SER 6 7.151 4.075 -16.286 23 HA SER 6 HA SER 6 9.239 2.357 -15.115 24 HB2 SER 6 1HB SER 6 10.916 3.852 -16.227 25 HB3 SER 6 2HB SER 6 9.945 2.909 -17.357 26 HG SER 6 HG SER 6 8.554 4.920 -17.325 27 H GLY 7 H GLY 7 8.191 5.745 -15.488 28 HA2 GLY 7 1HA GLY 7 9.614 6.579 -13.129 29 HA3 GLY 7 2HA GLY 7 8.518 7.561 -14.091 30 H GLY 8 H GLY 8 8.950 6.017 -11.160 31 HA2 GLY 8 1HA GLY 8 6.450 6.850 -10.145 32 HA3 GLY 8 2HA GLY 8 6.391 5.126 -10.479 33 H GLU 9 H GLU 9 7.277 7.505 -8.255 34 HA GLU 9 HA GLU 9 9.004 5.662 -6.759 35 HB2 GLU 9 1HB GLU 9 9.361 7.759 -5.311 36 HB3 GLU 9 2HB GLU 9 10.085 7.730 -6.913 37 HG2 GLU 9 1HG GLU 9 8.355 9.135 -7.789 38 HG3 GLU 9 2HG GLU 9 7.459 9.048 -6.273 39 H LYS 10 H LYS 10 7.970 4.399 -5.371 40 HA LYS 10 HA LYS 10 6.219 5.543 -3.390 41 HB2 LYS 10 1HB LYS 10 5.137 3.419 -5.251 42 HB3 LYS 10 2HB LYS 10 4.307 4.096 -3.856 43 HG2 LYS 10 1HG LYS 10 4.405 6.325 -4.981 44 HG3 LYS 10 2HG LYS 10 5.027 5.504 -6.415 45 HD2 LYS 10 1HD LYS 10 3.025 4.504 -6.879 46 HD3 LYS 10 2HD LYS 10 2.533 4.454 -5.184 47 HE2 LYS 10 1HE LYS 10 1.711 6.591 -5.220 48 HE3 LYS 10 2HE LYS 10 2.812 7.110 -6.495 49 HZ1 LYS 10 3HZ LYS 10 0.176 5.956 -6.699 50 HZ2 LYS 10 1HZ LYS 10 1.307 5.277 -7.758 51 HZ3 LYS 10 2HZ LYS 10 1.014 6.942 -7.789 52 HA PRO 11 HA PRO 11 8.650 2.261 -1.489 53 HB2 PRO 11 1HB PRO 11 8.240 3.127 1.051 54 HB3 PRO 11 2HB PRO 11 9.438 3.850 -0.029 55 HG2 PRO 11 1HG PRO 11 6.677 4.793 0.641 56 HG3 PRO 11 2HG PRO 11 8.175 5.731 0.494 57 HD2 PRO 11 1HD PRO 11 6.319 5.632 -1.476 58 HD3 PRO 11 2HD PRO 11 8.055 5.799 -1.807 59 H TYR 12 H TYR 12 5.443 3.348 -0.426 60 HA TYR 12 HA TYR 12 4.870 0.827 0.860 61 HB2 TYR 12 1HB TYR 12 2.953 3.084 0.257 62 HB3 TYR 12 2HB TYR 12 2.747 1.799 1.442 63 HD1 TYR 12 HD1 TYR 12 4.001 1.833 3.545 64 HD2 TYR 12 HD2 TYR 12 4.352 4.995 0.720 65 HE1 TYR 12 HE1 TYR 12 5.038 3.249 5.268 66 HE2 TYR 12 HE2 TYR 12 5.390 6.420 2.434 67 HH TYR 12 HH TYR 12 5.658 6.637 4.732 68 H LYS 13 H LYS 13 3.847 -0.874 0.007 69 HA LYS 13 HA LYS 13 2.403 -0.544 -2.527 70 HB2 LYS 13 1HB LYS 13 4.519 -1.379 -3.231 71 HB3 LYS 13 2HB LYS 13 4.567 -2.555 -1.924 72 HG2 LYS 13 1HG LYS 13 2.402 -3.468 -3.084 73 HG3 LYS 13 2HG LYS 13 3.060 -2.626 -4.489 74 HD2 LYS 13 1HD LYS 13 4.867 -4.023 -4.649 75 HD3 LYS 13 2HD LYS 13 4.879 -4.383 -2.921 76 HE2 LYS 13 1HE LYS 13 2.897 -5.779 -3.192 77 HE3 LYS 13 2HE LYS 13 2.851 -5.396 -4.912 78 HZ1 LYS 13 3HZ LYS 13 5.127 -6.755 -3.579 79 HZ2 LYS 13 1HZ LYS 13 4.907 -6.527 -5.241 80 HZ3 LYS 13 2HZ LYS 13 3.883 -7.568 -4.387 81 H CYS 14 H CYS 14 0.563 -1.720 -2.710 82 HA CYS 14 HA CYS 14 -0.355 -3.099 -0.330 83 HB2 CYS 14 1HB CYS 14 -1.839 -1.512 -1.497 84 HB3 CYS 14 2HB CYS 14 -1.789 -2.529 -2.933 85 H GLU 15 H GLU 15 0.089 -5.178 -0.058 86 HA GLU 15 HA GLU 15 0.837 -6.889 -2.225 87 HB2 GLU 15 1HB GLU 15 0.200 -7.613 0.640 88 HB3 GLU 15 2HB GLU 15 1.042 -8.626 -0.524 89 HG2 GLU 15 1HG GLU 15 2.772 -6.769 -0.653 90 HG3 GLU 15 2HG GLU 15 1.999 -6.104 0.785 91 H THR 16 H THR 16 -2.098 -6.213 -0.499 92 HA THR 16 HA THR 16 -3.582 -8.510 -0.973 93 HB THR 16 HB THR 16 -4.492 -5.631 -0.869 94 HG1 THR 16 HG1 THR 16 -4.271 -5.970 1.200 95 HG21 THR 16 3HG2 THR 16 -6.067 -8.185 -1.046 96 HG22 THR 16 1HG2 THR 16 -6.244 -6.714 -2.001 97 HG23 THR 16 2HG2 THR 16 -6.736 -6.731 -0.308 98 H CYS 17 H CYS 17 -3.071 -5.696 -3.064 99 HA CYS 17 HA CYS 17 -4.171 -7.268 -5.301 100 HB2 CYS 17 1HB CYS 17 -5.131 -5.298 -6.258 101 HB3 CYS 17 2HB CYS 17 -5.642 -5.356 -4.575 102 H GLY 18 H GLY 18 -1.866 -4.799 -4.270 103 HA2 GLY 18 1HA GLY 18 0.435 -5.151 -5.133 104 HA3 GLY 18 2HA GLY 18 -0.302 -5.375 -6.712 105 H ALA 19 H ALA 19 -1.747 -2.966 -4.774 106 HA ALA 19 HA ALA 19 -1.080 -0.910 -6.623 107 HB1 ALA 19 3HB ALA 19 -3.205 -0.928 -5.423 108 HB2 ALA 19 1HB ALA 19 -2.352 -0.699 -3.896 109 HB3 ALA 19 2HB ALA 19 -2.319 0.567 -5.123 110 H ARG 20 H ARG 20 -0.401 1.321 -5.512 111 HA ARG 20 HA ARG 20 1.764 0.992 -3.610 112 HB2 ARG 20 1HB ARG 20 2.194 1.717 -6.492 113 HB3 ARG 20 2HB ARG 20 3.278 2.325 -5.249 114 HG2 ARG 20 1HG ARG 20 3.947 0.126 -4.641 115 HG3 ARG 20 2HG ARG 20 2.686 -0.596 -5.642 116 HD2 ARG 20 1HD ARG 20 5.030 1.018 -6.641 117 HD3 ARG 20 2HD ARG 20 4.882 -0.737 -6.714 118 HE ARG 20 HE ARG 20 3.378 -0.522 -8.462 119 HH11 ARG 20 1HH1 ARG 20 4.158 2.596 -7.123 120 HH12 ARG 20 2HH1 ARG 20 3.450 3.480 -8.434 121 HH21 ARG 20 1HH2 ARG 20 2.443 0.631 -10.193 122 HH22 ARG 20 2HH2 ARG 20 2.474 2.362 -10.179 123 H PHE 21 H PHE 21 2.620 3.044 -2.853 124 HA PHE 21 HA PHE 21 1.283 5.478 -3.623 125 HB2 PHE 21 1HB PHE 21 0.920 4.564 -0.772 126 HB3 PHE 21 2HB PHE 21 0.161 5.933 -1.578 127 HD1 PHE 21 HD2 PHE 21 0.361 2.221 -1.722 128 HD2 PHE 21 HD1 PHE 21 -1.963 5.710 -2.454 129 HE1 PHE 21 HE2 PHE 21 -1.573 0.809 -2.286 130 HE2 PHE 21 HE1 PHE 21 -3.902 4.305 -3.018 131 HZ PHE 21 HZ PHE 21 -3.709 1.851 -2.936 132 H VAL 22 H VAL 22 2.133 7.364 -2.483 133 HA VAL 22 HA VAL 22 4.958 7.086 -2.014 134 HB VAL 22 HB VAL 22 4.415 9.033 -3.195 135 HG11 VAL 22 1HG1 VAL 22 2.245 9.420 -1.153 136 HG12 VAL 22 2HG1 VAL 22 2.764 10.715 -2.234 137 HG13 VAL 22 3HG1 VAL 22 2.090 9.226 -2.898 138 HG21 VAL 22 3HG2 VAL 22 6.057 9.422 -1.415 139 HG22 VAL 22 1HG2 VAL 22 5.112 10.871 -1.758 140 HG23 VAL 22 2HG2 VAL 22 4.757 9.905 -0.326 141 H GLN 23 H GLN 23 2.094 7.771 -0.082 142 HA GLN 23 HA GLN 23 3.767 7.580 2.336 143 HB2 GLN 23 1HB GLN 23 1.542 9.439 1.642 144 HB3 GLN 23 2HB GLN 23 1.691 8.916 3.315 145 HG2 GLN 23 1HG GLN 23 4.091 9.970 1.902 146 HG3 GLN 23 2HG GLN 23 2.862 11.094 2.482 147 HE21 GLN 23 1HE2 GLN 23 4.220 12.005 4.003 148 HE22 GLN 23 2HE2 GLN 23 4.703 11.172 5.437 149 H VAL 24 H VAL 24 3.041 6.310 4.008 150 HA VAL 24 HA VAL 24 1.495 4.075 3.424 151 HB VAL 24 HB VAL 24 3.116 4.623 5.443 152 HG11 VAL 24 1HG1 VAL 24 0.398 5.005 6.693 153 HG12 VAL 24 2HG1 VAL 24 1.952 4.974 7.528 154 HG13 VAL 24 3HG1 VAL 24 1.572 6.292 6.419 155 HG21 VAL 24 3HG2 VAL 24 1.351 2.779 6.608 156 HG22 VAL 24 1HG2 VAL 24 1.189 2.577 4.863 157 HG23 VAL 24 2HG2 VAL 24 2.773 2.434 5.625 158 H ALA 25 H ALA 25 0.579 7.100 5.018 159 HA ALA 25 HA ALA 25 -1.937 6.533 5.924 160 HB1 ALA 25 3HB ALA 25 -2.401 8.830 5.861 161 HB2 ALA 25 1HB ALA 25 -0.648 8.732 6.031 162 HB3 ALA 25 2HB ALA 25 -1.364 9.090 4.459 163 H HIS 26 H HIS 26 -0.887 6.850 2.620 164 HA HIS 26 HA HIS 26 -3.573 6.980 1.558 165 HB2 HIS 26 1HB HIS 26 -1.049 6.431 0.001 166 HB3 HIS 26 2HB HIS 26 -2.562 7.112 -0.591 167 HD1 HIS 26 HD1 HIS 26 -0.476 8.861 -1.391 168 HD2 HIS 26 HD2 HIS 26 -1.859 9.005 2.524 169 HE1 HIS 26 HE1 HIS 26 0.212 11.117 -0.518 170 H LEU 27 H LEU 27 -0.904 4.622 1.469 171 HA LEU 27 HA LEU 27 -2.303 2.587 0.149 172 HB2 LEU 27 1HB LEU 27 0.015 2.348 0.240 173 HB3 LEU 27 2HB LEU 27 0.066 2.617 1.981 174 HG LEU 27 HG LEU 27 -0.871 0.408 2.371 175 HD11 LEU 27 1HD1 LEU 27 -0.747 -0.006 -0.609 176 HD12 LEU 27 2HD1 LEU 27 -2.228 0.343 0.281 177 HD13 LEU 27 3HD1 LEU 27 -1.331 -1.139 0.611 178 HD21 LEU 27 3HD2 LEU 27 1.014 -0.944 1.411 179 HD22 LEU 27 1HD2 LEU 27 1.504 0.496 2.305 180 HD23 LEU 27 2HD2 LEU 27 1.519 0.506 0.541 181 H ARG 28 H ARG 28 -1.677 2.977 3.639 182 HA ARG 28 HA ARG 28 -3.167 0.793 4.516 183 HB2 ARG 28 1HB ARG 28 -3.031 1.717 6.682 184 HB3 ARG 28 2HB ARG 28 -1.579 2.266 5.857 185 HG2 ARG 28 1HG ARG 28 -2.619 4.436 5.453 186 HG3 ARG 28 2HG ARG 28 -4.084 3.885 6.269 187 HD2 ARG 28 1HD ARG 28 -2.348 3.345 8.200 188 HD3 ARG 28 2HD ARG 28 -1.434 4.618 7.394 189 HE ARG 28 HE ARG 28 -4.177 5.301 7.949 190 HH11 ARG 28 1HH1 ARG 28 -0.912 5.275 9.156 191 HH12 ARG 28 2HH1 ARG 28 -1.182 6.556 10.291 192 HH21 ARG 28 1HH2 ARG 28 -4.546 6.988 9.439 193 HH22 ARG 28 2HH2 ARG 28 -3.250 7.529 10.452 194 H ALA 29 H ALA 29 -4.211 3.772 3.203 195 HA ALA 29 HA ALA 29 -6.885 3.567 4.350 196 HB1 ALA 29 3HB ALA 29 -6.207 5.787 4.301 197 HB2 ALA 29 1HB ALA 29 -5.474 5.633 2.704 198 HB3 ALA 29 2HB ALA 29 -7.230 5.655 2.871 199 H HIS 30 H HIS 30 -5.191 2.475 1.638 200 HA HIS 30 HA HIS 30 -7.604 2.285 -0.014 201 HB2 HIS 30 1HB HIS 30 -5.952 2.995 -1.442 202 HB3 HIS 30 2HB HIS 30 -4.678 2.163 -0.556 203 HD1 HIS 30 HD1 HIS 30 -6.944 1.813 -3.432 204 HD2 HIS 30 HD2 HIS 30 -4.471 -0.641 -1.168 205 HE1 HIS 30 HE1 HIS 30 -6.659 -0.288 -4.785 206 H VAL 31 H VAL 31 -5.259 0.333 1.710 207 HA VAL 31 HA VAL 31 -5.986 -2.187 0.686 208 HB VAL 31 HB VAL 31 -5.155 -2.905 3.104 209 HG11 VAL 31 1HG1 VAL 31 -3.567 -1.868 0.783 210 HG12 VAL 31 2HG1 VAL 31 -2.770 -2.541 2.206 211 HG13 VAL 31 3HG1 VAL 31 -3.878 -3.537 1.261 212 HG21 VAL 31 3HG2 VAL 31 -3.550 -0.439 2.984 213 HG22 VAL 31 1HG2 VAL 31 -5.220 -0.237 3.516 214 HG23 VAL 31 2HG2 VAL 31 -4.147 -1.340 4.378 215 H LEU 32 H LEU 32 -7.585 -0.065 2.847 216 HA LEU 32 HA LEU 32 -9.073 -1.957 4.339 217 HB2 LEU 32 1HB LEU 32 -9.893 0.857 3.651 218 HB3 LEU 32 2HB LEU 32 -10.444 -0.114 5.015 219 HG LEU 32 HG LEU 32 -7.631 0.917 4.651 220 HD11 LEU 32 1HD1 LEU 32 -9.533 1.883 6.738 221 HD12 LEU 32 2HD1 LEU 32 -9.594 2.567 5.114 222 HD13 LEU 32 3HD1 LEU 32 -8.109 2.672 6.060 223 HD21 LEU 32 3HD2 LEU 32 -8.261 0.250 7.327 224 HD22 LEU 32 1HD2 LEU 32 -7.077 -0.504 6.259 225 HD23 LEU 32 2HD2 LEU 32 -8.730 -1.117 6.314 226 H ILE 33 H ILE 33 -9.308 -0.835 1.117 227 HA ILE 33 HA ILE 33 -12.055 -1.095 0.631 228 HB ILE 33 HB ILE 33 -11.527 -1.233 -1.699 229 HG12 ILE 33 1HG1 ILE 33 -8.783 -2.043 -0.743 230 HG13 ILE 33 2HG1 ILE 33 -9.876 -2.941 -1.792 231 HG21 ILE 33 1HG2 ILE 33 -9.756 0.560 -0.082 232 HG22 ILE 33 2HG2 ILE 33 -9.720 0.601 -1.844 233 HG23 ILE 33 3HG2 ILE 33 -11.218 0.957 -0.985 234 HD11 ILE 33 3HD1 ILE 33 -8.107 -0.633 -2.425 235 HD12 ILE 33 1HD1 ILE 33 -8.334 -2.153 -3.290 236 HD13 ILE 33 2HD1 ILE 33 -9.568 -0.895 -3.376 237 H HIS 34 H HIS 34 -9.432 -3.472 0.415 238 HA HIS 34 HA HIS 34 -11.181 -5.592 -0.414 239 HB2 HIS 34 1HB HIS 34 -8.466 -6.058 0.773 240 HB3 HIS 34 2HB HIS 34 -9.280 -6.938 -0.518 241 HD1 HIS 34 HD1 HIS 34 -9.197 -5.884 -2.902 242 HD2 HIS 34 HD2 HIS 34 -6.981 -3.853 -0.034 243 HE1 HIS 34 HE1 HIS 34 -7.708 -4.318 -4.188 244 H THR 35 H THR 35 -9.457 -4.798 2.594 245 HA THR 35 HA THR 35 -10.794 -6.927 4.028 246 HB THR 35 HB THR 35 -8.445 -6.330 4.545 247 HG1 THR 35 HG1 THR 35 -9.907 -5.707 6.865 248 HG21 THR 35 3HG2 THR 35 -8.173 -4.268 6.035 249 HG22 THR 35 1HG2 THR 35 -9.718 -3.734 5.374 250 HG23 THR 35 2HG2 THR 35 -8.342 -3.992 4.301 251 H GLY 36 H GLY 36 -12.592 -5.055 2.927 252 HA2 GLY 36 1HA GLY 36 -13.652 -3.816 5.392 253 HA3 GLY 36 2HA GLY 36 -13.769 -3.034 3.823 254 H SER 37 H SER 37 -15.838 -3.032 3.245 255 HA SER 37 HA SER 37 -17.811 -4.778 4.139 256 HB2 SER 37 1HB SER 37 -18.518 -2.722 3.189 257 HB3 SER 37 2HB SER 37 -17.644 -3.025 1.688 258 HG SER 37 HG SER 37 -19.131 -4.588 1.154 259 H GLY 38 H GLY 38 -18.409 -6.784 3.609 260 HA2 GLY 38 1HA GLY 38 -18.856 -8.413 1.837 261 HA3 GLY 38 2HA GLY 38 -17.332 -7.930 1.108 262 HA PRO 39 HA PRO 39 -16.957 -11.417 4.434 263 HB2 PRO 39 1HB PRO 39 -17.597 -13.641 3.014 264 HB3 PRO 39 2HB PRO 39 -18.778 -12.740 3.973 265 HG2 PRO 39 1HG PRO 39 -18.264 -12.647 1.025 266 HG3 PRO 39 2HG PRO 39 -19.812 -12.676 1.891 267 HD2 PRO 39 1HD PRO 39 -18.744 -10.398 0.889 268 HD3 PRO 39 2HD PRO 39 -19.732 -10.421 2.364 269 H SER 40 H SER 40 -14.871 -11.917 4.597 270 HA SER 40 HA SER 40 -13.221 -12.080 2.217 271 HB2 SER 40 1HB SER 40 -11.361 -11.848 3.647 272 HB3 SER 40 2HB SER 40 -12.607 -10.847 4.393 273 HG SER 40 HG SER 40 -12.973 -12.452 5.894 274 H SER 41 H SER 41 -12.529 -13.899 1.300 275 HA SER 41 HA SER 41 -13.497 -16.422 2.070 276 HB2 SER 41 1HB SER 41 -12.061 -17.319 0.315 277 HB3 SER 41 2HB SER 41 -12.831 -15.837 -0.247 278 HG SER 41 HG SER 41 -10.343 -15.607 0.986 279 H GLY 42 H GLY 42 -12.869 -17.701 3.670 280 HA2 GLY 42 1HA GLY 42 -10.315 -18.590 4.189 281 HA3 GLY 42 2HA GLY 42 -10.516 -17.166 5.199 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -3.800 18.176 -13.273 2 HA2 GLY 1 1HA GLY 1 -5.561 15.979 -13.889 3 HA3 GLY 1 2HA GLY 1 -4.916 16.773 -15.318 4 H SER 2 H SER 2 -4.348 14.165 -14.986 5 HA SER 2 HA SER 2 -1.570 14.139 -14.001 6 HB2 SER 2 1HB SER 2 -3.445 12.562 -13.020 7 HB3 SER 2 2HB SER 2 -3.103 11.610 -14.465 8 HG SER 2 HG SER 2 -1.289 12.362 -12.419 9 H SER 3 H SER 3 -2.106 15.165 -16.522 10 HA SER 3 HA SER 3 -1.749 13.127 -18.521 11 HB2 SER 3 1HB SER 3 -1.581 16.144 -18.692 12 HB3 SER 3 2HB SER 3 -1.502 15.057 -20.078 13 HG SER 3 HG SER 3 -3.639 16.037 -19.358 14 H GLY 4 H GLY 4 0.165 12.085 -17.796 15 HA2 GLY 4 1HA GLY 4 2.443 12.137 -18.914 16 HA3 GLY 4 2HA GLY 4 2.623 13.689 -18.109 17 H SER 5 H SER 5 2.485 10.224 -17.678 18 HA SER 5 HA SER 5 3.320 10.538 -14.878 19 HB2 SER 5 1HB SER 5 1.323 9.102 -15.362 20 HB3 SER 5 2HB SER 5 2.381 8.017 -16.264 21 HG SER 5 HG SER 5 2.413 7.153 -14.291 22 H SER 6 H SER 6 5.480 11.125 -15.518 23 HA SER 6 HA SER 6 7.076 9.088 -16.850 24 HB2 SER 6 1HB SER 6 7.249 11.676 -17.166 25 HB3 SER 6 2HB SER 6 8.210 11.614 -15.688 26 HG SER 6 HG SER 6 9.468 9.948 -16.833 27 H GLY 7 H GLY 7 8.243 7.608 -15.815 28 HA2 GLY 7 1HA GLY 7 9.447 6.552 -14.160 29 HA3 GLY 7 2HA GLY 7 9.567 8.102 -13.340 30 H GLY 8 H GLY 8 9.331 6.672 -11.422 31 HA2 GLY 8 1HA GLY 8 6.730 6.892 -10.349 32 HA3 GLY 8 2HA GLY 8 7.007 5.229 -10.846 33 H GLU 9 H GLU 9 6.978 7.074 -8.228 34 HA GLU 9 HA GLU 9 9.020 5.444 -6.891 35 HB2 GLU 9 1HB GLU 9 9.582 7.453 -5.477 36 HB3 GLU 9 2HB GLU 9 10.116 7.541 -7.150 37 HG2 GLU 9 1HG GLU 9 8.074 8.891 -7.645 38 HG3 GLU 9 2HG GLU 9 7.755 8.930 -5.912 39 H LYS 10 H LYS 10 8.051 4.277 -5.385 40 HA LYS 10 HA LYS 10 6.285 5.487 -3.464 41 HB2 LYS 10 1HB LYS 10 5.203 3.278 -5.221 42 HB3 LYS 10 2HB LYS 10 4.370 4.041 -3.873 43 HG2 LYS 10 1HG LYS 10 4.470 6.195 -5.118 44 HG3 LYS 10 2HG LYS 10 5.124 5.307 -6.496 45 HD2 LYS 10 1HD LYS 10 3.139 4.146 -6.848 46 HD3 LYS 10 2HD LYS 10 2.559 4.448 -5.208 47 HE2 LYS 10 1HE LYS 10 1.263 5.893 -6.468 48 HE3 LYS 10 2HE LYS 10 2.577 6.937 -5.930 49 HZ1 LYS 10 3HZ LYS 10 3.560 5.984 -8.228 50 HZ2 LYS 10 1HZ LYS 10 2.706 7.439 -8.096 51 HZ3 LYS 10 2HZ LYS 10 1.910 6.034 -8.596 52 HA PRO 11 HA PRO 11 8.703 2.302 -1.407 53 HB2 PRO 11 1HB PRO 11 8.215 3.230 1.097 54 HB3 PRO 11 2HB PRO 11 9.424 3.947 0.026 55 HG2 PRO 11 1HG PRO 11 6.629 4.852 0.602 56 HG3 PRO 11 2HG PRO 11 8.111 5.816 0.464 57 HD2 PRO 11 1HD PRO 11 6.306 5.623 -1.545 58 HD3 PRO 11 2HD PRO 11 8.046 5.816 -1.840 59 H TYR 12 H TYR 12 5.452 3.353 -0.446 60 HA TYR 12 HA TYR 12 4.902 0.831 0.863 61 HB2 TYR 12 1HB TYR 12 2.970 3.075 0.266 62 HB3 TYR 12 2HB TYR 12 2.776 1.789 1.451 63 HD1 TYR 12 HD1 TYR 12 4.071 1.818 3.540 64 HD2 TYR 12 HD2 TYR 12 4.317 5.010 0.738 65 HE1 TYR 12 HE1 TYR 12 5.099 3.242 5.262 66 HE2 TYR 12 HE2 TYR 12 5.346 6.443 2.452 67 HH TYR 12 HH TYR 12 5.670 5.370 5.792 68 H LYS 13 H LYS 13 3.848 -0.863 0.025 69 HA LYS 13 HA LYS 13 2.435 -0.536 -2.528 70 HB2 LYS 13 1HB LYS 13 4.548 -1.400 -3.205 71 HB3 LYS 13 2HB LYS 13 4.572 -2.565 -1.888 72 HG2 LYS 13 1HG LYS 13 2.414 -3.475 -3.054 73 HG3 LYS 13 2HG LYS 13 3.078 -2.641 -4.461 74 HD2 LYS 13 1HD LYS 13 4.869 -4.053 -4.623 75 HD3 LYS 13 2HD LYS 13 4.901 -4.385 -2.890 76 HE2 LYS 13 1HE LYS 13 2.962 -5.816 -3.093 77 HE3 LYS 13 2HE LYS 13 2.805 -5.411 -4.801 78 HZ1 LYS 13 3HZ LYS 13 5.146 -6.358 -5.006 79 HZ2 LYS 13 1HZ LYS 13 3.879 -7.457 -4.784 80 HZ3 LYS 13 2HZ LYS 13 4.881 -7.047 -3.484 81 H CYS 14 H CYS 14 0.611 -1.750 -2.759 82 HA CYS 14 HA CYS 14 -0.373 -3.063 -0.366 83 HB2 CYS 14 1HB CYS 14 -1.943 -1.615 -1.410 84 HB3 CYS 14 2HB CYS 14 -1.647 -2.319 -2.996 85 H GLU 15 H GLU 15 0.070 -5.134 -0.033 86 HA GLU 15 HA GLU 15 0.847 -6.897 -2.156 87 HB2 GLU 15 1HB GLU 15 0.223 -7.547 0.729 88 HB3 GLU 15 2HB GLU 15 1.072 -8.583 -0.409 89 HG2 GLU 15 1HG GLU 15 2.788 -6.720 -0.590 90 HG3 GLU 15 2HG GLU 15 2.008 -6.015 0.824 91 H THR 16 H THR 16 -2.093 -6.170 -0.473 92 HA THR 16 HA THR 16 -3.554 -8.506 -0.888 93 HB THR 16 HB THR 16 -4.472 -5.632 -0.772 94 HG1 THR 16 HG1 THR 16 -3.675 -6.381 1.186 95 HG21 THR 16 3HG2 THR 16 -6.730 -6.666 -0.281 96 HG22 THR 16 1HG2 THR 16 -6.081 -8.176 -0.917 97 HG23 THR 16 2HG2 THR 16 -6.194 -6.757 -1.958 98 H CYS 17 H CYS 17 -2.932 -5.785 -3.039 99 HA CYS 17 HA CYS 17 -4.090 -7.356 -5.240 100 HB2 CYS 17 1HB CYS 17 -5.070 -5.407 -6.217 101 HB3 CYS 17 2HB CYS 17 -5.574 -5.447 -4.531 102 H GLY 18 H GLY 18 -1.823 -4.825 -4.263 103 HA2 GLY 18 1HA GLY 18 0.487 -5.181 -5.123 104 HA3 GLY 18 2HA GLY 18 -0.256 -5.423 -6.697 105 H ALA 19 H ALA 19 -1.698 -3.009 -4.757 106 HA ALA 19 HA ALA 19 -1.066 -0.962 -6.628 107 HB1 ALA 19 3HB ALA 19 -2.501 0.404 -5.423 108 HB2 ALA 19 1HB ALA 19 -3.141 -1.210 -5.107 109 HB3 ALA 19 2HB ALA 19 -2.147 -0.402 -3.894 110 H ARG 20 H ARG 20 -0.410 1.286 -5.502 111 HA ARG 20 HA ARG 20 1.789 0.976 -3.639 112 HB2 ARG 20 1HB ARG 20 2.178 1.774 -6.515 113 HB3 ARG 20 2HB ARG 20 3.298 2.288 -5.260 114 HG2 ARG 20 1HG ARG 20 3.853 0.010 -4.743 115 HG3 ARG 20 2HG ARG 20 2.616 -0.582 -5.854 116 HD2 ARG 20 1HD ARG 20 5.111 0.954 -6.564 117 HD3 ARG 20 2HD ARG 20 4.781 -0.744 -6.903 118 HE ARG 20 HE ARG 20 2.752 0.725 -8.091 119 HH11 ARG 20 1HH1 ARG 20 6.207 0.398 -8.365 120 HH12 ARG 20 2HH1 ARG 20 6.242 0.797 -10.051 121 HH21 ARG 20 1HH2 ARG 20 2.784 1.252 -10.310 122 HH22 ARG 20 2HH2 ARG 20 4.295 1.284 -11.156 123 H PHE 21 H PHE 21 2.632 3.035 -2.888 124 HA PHE 21 HA PHE 21 1.269 5.459 -3.637 125 HB2 PHE 21 1HB PHE 21 0.921 4.527 -0.790 126 HB3 PHE 21 2HB PHE 21 0.152 5.898 -1.584 127 HD1 PHE 21 HD2 PHE 21 0.363 2.187 -1.730 128 HD2 PHE 21 HD1 PHE 21 -1.966 5.670 -2.479 129 HE1 PHE 21 HE2 PHE 21 -1.566 0.770 -2.298 130 HE2 PHE 21 HE1 PHE 21 -3.900 4.258 -3.047 131 HZ PHE 21 HZ PHE 21 -3.701 1.805 -2.958 132 H VAL 22 H VAL 22 2.111 7.347 -2.498 133 HA VAL 22 HA VAL 22 4.939 7.080 -2.026 134 HB VAL 22 HB VAL 22 4.397 9.018 -3.219 135 HG11 VAL 22 1HG1 VAL 22 2.733 10.699 -2.283 136 HG12 VAL 22 2HG1 VAL 22 2.068 9.201 -2.937 137 HG13 VAL 22 3HG1 VAL 22 2.214 9.415 -1.192 138 HG21 VAL 22 3HG2 VAL 22 4.681 9.965 -0.369 139 HG22 VAL 22 1HG2 VAL 22 6.009 9.390 -1.377 140 HG23 VAL 22 2HG2 VAL 22 5.128 10.849 -1.828 141 H GLN 23 H GLN 23 2.066 7.763 -0.107 142 HA GLN 23 HA GLN 23 3.733 7.605 2.317 143 HB2 GLN 23 1HB GLN 23 1.461 9.412 1.619 144 HB3 GLN 23 2HB GLN 23 1.663 8.924 3.297 145 HG2 GLN 23 1HG GLN 23 3.958 10.059 1.756 146 HG3 GLN 23 2HG GLN 23 2.746 11.114 2.481 147 HE21 GLN 23 1HE2 GLN 23 4.140 12.021 3.951 148 HE22 GLN 23 2HE2 GLN 23 4.790 11.149 5.294 149 H VAL 24 H VAL 24 3.025 6.330 3.991 150 HA VAL 24 HA VAL 24 1.494 4.079 3.410 151 HB VAL 24 HB VAL 24 3.136 4.628 5.411 152 HG11 VAL 24 1HG1 VAL 24 1.542 6.285 6.384 153 HG12 VAL 24 2HG1 VAL 24 0.449 4.946 6.737 154 HG13 VAL 24 3HG1 VAL 24 2.038 5.013 7.500 155 HG21 VAL 24 3HG2 VAL 24 1.351 2.775 6.571 156 HG22 VAL 24 1HG2 VAL 24 1.250 2.566 4.823 157 HG23 VAL 24 2HG2 VAL 24 2.810 2.442 5.637 158 H ALA 25 H ALA 25 0.574 7.120 4.952 159 HA ALA 25 HA ALA 25 -1.927 6.529 5.914 160 HB1 ALA 25 3HB ALA 25 -1.841 8.698 6.365 161 HB2 ALA 25 1HB ALA 25 -0.476 8.885 5.264 162 HB3 ALA 25 2HB ALA 25 -2.125 9.063 4.663 163 H HIS 26 H HIS 26 -0.915 6.850 2.598 164 HA HIS 26 HA HIS 26 -3.612 6.961 1.564 165 HB2 HIS 26 1HB HIS 26 -1.090 6.433 -0.008 166 HB3 HIS 26 2HB HIS 26 -2.618 7.079 -0.601 167 HD1 HIS 26 HD1 HIS 26 -0.578 8.863 -1.429 168 HD2 HIS 26 HD2 HIS 26 -1.932 9.013 2.496 169 HE1 HIS 26 HE1 HIS 26 0.070 11.140 -0.580 170 H LEU 27 H LEU 27 -0.931 4.617 1.459 171 HA LEU 27 HA LEU 27 -2.326 2.572 0.152 172 HB2 LEU 27 1HB LEU 27 -0.007 2.344 0.232 173 HB3 LEU 27 2HB LEU 27 0.052 2.619 1.972 174 HG LEU 27 HG LEU 27 -0.928 0.399 2.346 175 HD11 LEU 27 1HD1 LEU 27 -1.244 -1.158 0.551 176 HD12 LEU 27 2HD1 LEU 27 -0.647 0.008 -0.629 177 HD13 LEU 27 3HD1 LEU 27 -2.176 0.298 0.201 178 HD21 LEU 27 3HD2 LEU 27 1.470 0.585 2.369 179 HD22 LEU 27 1HD2 LEU 27 1.537 0.463 0.610 180 HD23 LEU 27 2HD2 LEU 27 1.022 -0.924 1.571 181 H ARG 28 H ARG 28 -1.684 2.971 3.638 182 HA ARG 28 HA ARG 28 -3.157 0.783 4.530 183 HB2 ARG 28 1HB ARG 28 -3.015 1.714 6.690 184 HB3 ARG 28 2HB ARG 28 -1.575 2.281 5.856 185 HG2 ARG 28 1HG ARG 28 -2.662 4.433 5.445 186 HG3 ARG 28 2HG ARG 28 -4.099 3.863 6.296 187 HD2 ARG 28 1HD ARG 28 -2.506 3.421 8.263 188 HD3 ARG 28 2HD ARG 28 -1.369 4.450 7.393 189 HE ARG 28 HE ARG 28 -3.690 5.897 7.501 190 HH11 ARG 28 1HH1 ARG 28 -1.577 4.409 9.834 191 HH12 ARG 28 2HH1 ARG 28 -1.919 5.567 11.076 192 HH21 ARG 28 1HH2 ARG 28 -4.148 7.428 9.128 193 HH22 ARG 28 2HH2 ARG 28 -3.382 7.284 10.674 194 H ALA 29 H ALA 29 -4.219 3.801 3.277 195 HA ALA 29 HA ALA 29 -6.893 3.546 4.403 196 HB1 ALA 29 3HB ALA 29 -6.055 5.770 4.354 197 HB2 ALA 29 1HB ALA 29 -5.616 5.635 2.651 198 HB3 ALA 29 2HB ALA 29 -7.315 5.665 3.124 199 H HIS 30 H HIS 30 -5.194 2.493 1.684 200 HA HIS 30 HA HIS 30 -7.602 2.317 0.024 201 HB2 HIS 30 1HB HIS 30 -5.936 3.056 -1.380 202 HB3 HIS 30 2HB HIS 30 -4.673 2.187 -0.514 203 HD1 HIS 30 HD1 HIS 30 -7.014 1.897 -3.356 204 HD2 HIS 30 HD2 HIS 30 -4.428 -0.566 -1.233 205 HE1 HIS 30 HE1 HIS 30 -6.738 -0.165 -4.769 206 H VAL 31 H VAL 31 -5.245 0.347 1.716 207 HA VAL 31 HA VAL 31 -5.969 -2.161 0.667 208 HB VAL 31 HB VAL 31 -5.137 -2.910 3.072 209 HG11 VAL 31 1HG1 VAL 31 -3.139 -1.640 1.227 210 HG12 VAL 31 2HG1 VAL 31 -2.980 -3.113 2.186 211 HG13 VAL 31 3HG1 VAL 31 -4.032 -3.090 0.770 212 HG21 VAL 31 3HG2 VAL 31 -4.157 -1.359 4.379 213 HG22 VAL 31 1HG2 VAL 31 -3.538 -0.443 3.004 214 HG23 VAL 31 2HG2 VAL 31 -5.214 -0.240 3.517 215 H LEU 32 H LEU 32 -7.578 -0.068 2.847 216 HA LEU 32 HA LEU 32 -9.065 -1.986 4.312 217 HB2 LEU 32 1HB LEU 32 -9.880 0.840 3.669 218 HB3 LEU 32 2HB LEU 32 -10.439 -0.153 5.014 219 HG LEU 32 HG LEU 32 -7.625 0.884 4.679 220 HD11 LEU 32 1HD1 LEU 32 -9.060 1.890 6.953 221 HD12 LEU 32 2HD1 LEU 32 -9.924 2.269 5.464 222 HD13 LEU 32 3HD1 LEU 32 -8.246 2.772 5.661 223 HD21 LEU 32 3HD2 LEU 32 -8.917 -1.000 6.532 224 HD22 LEU 32 1HD2 LEU 32 -7.914 0.239 7.287 225 HD23 LEU 32 2HD2 LEU 32 -7.222 -0.837 6.073 226 H ILE 33 H ILE 33 -9.295 -0.815 1.108 227 HA ILE 33 HA ILE 33 -12.035 -1.048 0.603 228 HB ILE 33 HB ILE 33 -11.492 -1.204 -1.727 229 HG12 ILE 33 1HG1 ILE 33 -8.760 -2.020 -0.743 230 HG13 ILE 33 2HG1 ILE 33 -9.847 -2.919 -1.796 231 HG21 ILE 33 1HG2 ILE 33 -9.758 0.592 -0.082 232 HG22 ILE 33 2HG2 ILE 33 -9.650 0.615 -1.841 233 HG23 ILE 33 3HG2 ILE 33 -11.180 0.987 -1.047 234 HD11 ILE 33 3HD1 ILE 33 -9.523 -0.886 -3.390 235 HD12 ILE 33 1HD1 ILE 33 -8.070 -0.617 -2.428 236 HD13 ILE 33 2HD1 ILE 33 -8.290 -2.143 -3.285 237 H HIS 34 H HIS 34 -9.448 -3.465 0.409 238 HA HIS 34 HA HIS 34 -11.222 -5.558 -0.438 239 HB2 HIS 34 1HB HIS 34 -8.513 -6.036 0.767 240 HB3 HIS 34 2HB HIS 34 -9.338 -6.946 -0.495 241 HD1 HIS 34 HD1 HIS 34 -9.297 -5.922 -2.906 242 HD2 HIS 34 HD2 HIS 34 -6.980 -3.902 -0.111 243 HE1 HIS 34 HE1 HIS 34 -7.794 -4.414 -4.243 244 H THR 35 H THR 35 -9.551 -4.748 2.590 245 HA THR 35 HA THR 35 -10.886 -6.881 4.017 246 HB THR 35 HB THR 35 -8.570 -6.267 4.596 247 HG1 THR 35 HG1 THR 35 -10.102 -5.559 6.849 248 HG21 THR 35 3HG2 THR 35 -8.409 -3.956 4.291 249 HG22 THR 35 1HG2 THR 35 -8.368 -4.142 6.043 250 HG23 THR 35 2HG2 THR 35 -9.856 -3.633 5.245 251 H GLY 36 H GLY 36 -12.741 -5.145 2.888 252 HA2 GLY 36 1HA GLY 36 -14.722 -4.744 4.526 253 HA3 GLY 36 2HA GLY 36 -13.670 -3.464 5.110 254 H SER 37 H SER 37 -15.361 -4.653 2.239 255 HA SER 37 HA SER 37 -15.192 -1.988 1.039 256 HB2 SER 37 1HB SER 37 -14.668 -4.099 -0.283 257 HB3 SER 37 2HB SER 37 -16.391 -4.463 -0.210 258 HG SER 37 HG SER 37 -15.285 -3.058 -2.021 259 H GLY 38 H GLY 38 -16.669 -0.837 2.279 260 HA2 GLY 38 1HA GLY 38 -19.328 -1.794 2.761 261 HA3 GLY 38 2HA GLY 38 -18.731 -0.171 3.076 262 HA PRO 39 HA PRO 39 -21.759 0.189 -0.371 263 HB2 PRO 39 1HB PRO 39 -22.815 2.527 0.516 264 HB3 PRO 39 2HB PRO 39 -23.361 0.947 1.091 265 HG2 PRO 39 1HG PRO 39 -21.466 2.878 2.373 266 HG3 PRO 39 2HG PRO 39 -22.771 1.932 3.113 267 HD2 PRO 39 1HD PRO 39 -20.170 1.197 3.270 268 HD3 PRO 39 2HD PRO 39 -21.494 0.016 3.217 269 H SER 40 H SER 40 -20.906 0.920 -2.206 270 HA SER 40 HA SER 40 -18.924 3.018 -2.207 271 HB2 SER 40 1HB SER 40 -20.162 1.543 -4.544 272 HB3 SER 40 2HB SER 40 -18.709 2.542 -4.592 273 HG SER 40 HG SER 40 -18.558 0.104 -4.328 274 H SER 41 H SER 41 -21.341 3.990 -1.274 275 HA SER 41 HA SER 41 -23.063 5.471 -1.684 276 HB2 SER 41 1HB SER 41 -20.777 6.728 -1.592 277 HB3 SER 41 2HB SER 41 -21.046 6.984 -3.316 278 HG SER 41 HG SER 41 -22.008 8.694 -2.389 279 H GLY 42 H GLY 42 -23.254 3.381 -3.506 280 HA2 GLY 42 1HA GLY 42 -24.440 4.802 -5.779 281 HA3 GLY 42 2HA GLY 42 -23.279 3.528 -6.119 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.362 14.562 -22.050 2 HA2 GLY 1 1HA GLY 1 -9.102 14.276 -20.152 3 HA3 GLY 1 2HA GLY 1 -10.056 12.821 -19.908 4 H SER 2 H SER 2 -7.110 14.121 -21.302 5 HA SER 2 HA SER 2 -5.998 11.392 -21.306 6 HB2 SER 2 1HB SER 2 -6.370 12.540 -23.595 7 HB3 SER 2 2HB SER 2 -5.003 13.558 -23.144 8 HG SER 2 HG SER 2 -4.749 10.781 -22.906 9 H SER 3 H SER 3 -5.919 13.002 -19.052 10 HA SER 3 HA SER 3 -3.072 13.760 -18.945 11 HB2 SER 3 1HB SER 3 -4.973 15.576 -18.666 12 HB3 SER 3 2HB SER 3 -5.042 14.935 -17.025 13 HG SER 3 HG SER 3 -3.560 16.704 -17.287 14 H GLY 4 H GLY 4 -2.263 13.746 -16.588 15 HA2 GLY 4 1HA GLY 4 -3.474 12.056 -14.677 16 HA3 GLY 4 2HA GLY 4 -2.332 11.122 -15.632 17 H SER 5 H SER 5 -0.607 10.804 -14.382 18 HA SER 5 HA SER 5 0.664 13.172 -13.187 19 HB2 SER 5 1HB SER 5 -0.088 10.599 -11.880 20 HB3 SER 5 2HB SER 5 1.432 11.352 -11.398 21 HG SER 5 HG SER 5 -0.692 11.944 -10.299 22 H SER 6 H SER 6 2.990 12.786 -12.660 23 HA SER 6 HA SER 6 4.249 10.760 -14.361 24 HB2 SER 6 1HB SER 6 4.543 13.727 -14.593 25 HB3 SER 6 2HB SER 6 5.951 12.712 -14.905 26 HG SER 6 HG SER 6 4.876 11.731 -16.563 27 H GLY 7 H GLY 7 5.540 9.611 -13.093 28 HA2 GLY 7 1HA GLY 7 7.586 10.826 -11.521 29 HA3 GLY 7 2HA GLY 7 6.293 10.207 -10.505 30 H GLY 8 H GLY 8 6.425 8.152 -9.873 31 HA2 GLY 8 1HA GLY 8 6.743 5.811 -10.661 32 HA3 GLY 8 2HA GLY 8 8.238 6.378 -11.392 33 H GLU 9 H GLU 9 6.899 7.090 -8.185 34 HA GLU 9 HA GLU 9 8.980 5.478 -6.932 35 HB2 GLU 9 1HB GLU 9 9.503 7.475 -5.411 36 HB3 GLU 9 2HB GLU 9 10.187 7.485 -7.030 37 HG2 GLU 9 1HG GLU 9 8.621 9.079 -7.788 38 HG3 GLU 9 2HG GLU 9 7.626 8.892 -6.345 39 H LYS 10 H LYS 10 8.055 4.325 -5.387 40 HA LYS 10 HA LYS 10 6.262 5.513 -3.479 41 HB2 LYS 10 1HB LYS 10 5.210 3.302 -5.252 42 HB3 LYS 10 2HB LYS 10 4.363 4.047 -3.903 43 HG2 LYS 10 1HG LYS 10 4.460 6.213 -5.139 44 HG3 LYS 10 2HG LYS 10 5.109 5.327 -6.521 45 HD2 LYS 10 1HD LYS 10 3.122 4.243 -6.929 46 HD3 LYS 10 2HD LYS 10 2.584 4.373 -5.253 47 HE2 LYS 10 1HE LYS 10 1.219 5.848 -6.491 48 HE3 LYS 10 2HE LYS 10 2.388 6.863 -5.648 49 HZ1 LYS 10 3HZ LYS 10 2.039 7.475 -8.004 50 HZ2 LYS 10 1HZ LYS 10 2.682 5.980 -8.466 51 HZ3 LYS 10 2HZ LYS 10 3.649 7.098 -7.645 52 HA PRO 11 HA PRO 11 8.702 2.338 -1.426 53 HB2 PRO 11 1HB PRO 11 8.219 3.270 1.078 54 HB3 PRO 11 2HB PRO 11 9.424 3.987 0.003 55 HG2 PRO 11 1HG PRO 11 6.629 4.889 0.585 56 HG3 PRO 11 2HG PRO 11 8.110 5.854 0.441 57 HD2 PRO 11 1HD PRO 11 6.299 5.656 -1.563 58 HD3 PRO 11 2HD PRO 11 8.038 5.851 -1.863 59 H TYR 12 H TYR 12 5.453 3.388 -0.452 60 HA TYR 12 HA TYR 12 4.910 0.873 0.868 61 HB2 TYR 12 1HB TYR 12 2.980 3.115 0.249 62 HB3 TYR 12 2HB TYR 12 2.766 1.826 1.428 63 HD1 TYR 12 HD1 TYR 12 4.019 1.850 3.538 64 HD2 TYR 12 HD2 TYR 12 4.346 5.037 0.738 65 HE1 TYR 12 HE1 TYR 12 5.031 3.265 5.276 66 HE2 TYR 12 HE2 TYR 12 5.360 6.461 2.468 67 HH TYR 12 HH TYR 12 5.300 6.541 5.052 68 H LYS 13 H LYS 13 3.897 -0.842 0.029 69 HA LYS 13 HA LYS 13 2.489 -0.542 -2.533 70 HB2 LYS 13 1HB LYS 13 4.608 -1.421 -3.173 71 HB3 LYS 13 2HB LYS 13 4.612 -2.570 -1.841 72 HG2 LYS 13 1HG LYS 13 2.446 -3.460 -3.039 73 HG3 LYS 13 2HG LYS 13 3.180 -2.682 -4.443 74 HD2 LYS 13 1HD LYS 13 4.966 -4.123 -4.478 75 HD3 LYS 13 2HD LYS 13 4.874 -4.450 -2.746 76 HE2 LYS 13 1HE LYS 13 2.611 -5.329 -4.463 77 HE3 LYS 13 2HE LYS 13 4.121 -6.235 -4.554 78 HZ1 LYS 13 3HZ LYS 13 2.543 -5.717 -2.092 79 HZ2 LYS 13 1HZ LYS 13 4.019 -6.543 -2.147 80 HZ3 LYS 13 2HZ LYS 13 2.657 -7.192 -2.911 81 H CYS 14 H CYS 14 0.631 -1.684 -2.721 82 HA CYS 14 HA CYS 14 -0.381 -2.966 -0.336 83 HB2 CYS 14 1HB CYS 14 -1.938 -1.557 -1.443 84 HB3 CYS 14 2HB CYS 14 -1.598 -2.286 -3.009 85 H GLU 15 H GLU 15 0.071 -5.023 0.066 86 HA GLU 15 HA GLU 15 0.876 -6.849 -1.991 87 HB2 GLU 15 1HB GLU 15 0.220 -7.408 0.906 88 HB3 GLU 15 2HB GLU 15 1.080 -8.480 -0.189 89 HG2 GLU 15 1HG GLU 15 2.783 -6.591 -0.415 90 HG3 GLU 15 2HG GLU 15 2.003 -5.892 1.003 91 H THR 16 H THR 16 -2.086 -6.070 -0.375 92 HA THR 16 HA THR 16 -3.540 -8.422 -0.728 93 HB THR 16 HB THR 16 -4.451 -5.545 -0.709 94 HG1 THR 16 HG1 THR 16 -3.837 -6.097 1.309 95 HG21 THR 16 3HG2 THR 16 -6.049 -8.083 -0.911 96 HG22 THR 16 1HG2 THR 16 -6.182 -6.618 -1.882 97 HG23 THR 16 2HG2 THR 16 -6.723 -6.615 -0.203 98 H CYS 17 H CYS 17 -2.891 -5.775 -2.962 99 HA CYS 17 HA CYS 17 -4.004 -7.427 -5.127 100 HB2 CYS 17 1HB CYS 17 -4.970 -5.501 -6.191 101 HB3 CYS 17 2HB CYS 17 -5.542 -5.543 -4.526 102 H GLY 18 H GLY 18 -1.789 -4.831 -4.200 103 HA2 GLY 18 1HA GLY 18 0.539 -5.206 -5.028 104 HA3 GLY 18 2HA GLY 18 -0.191 -5.462 -6.606 105 H ALA 19 H ALA 19 -1.693 -3.043 -4.741 106 HA ALA 19 HA ALA 19 -1.045 -1.009 -6.609 107 HB1 ALA 19 3HB ALA 19 -2.545 0.311 -5.487 108 HB2 ALA 19 1HB ALA 19 -3.099 -1.291 -5.000 109 HB3 ALA 19 2HB ALA 19 -2.100 -0.333 -3.907 110 H ARG 20 H ARG 20 -0.399 1.252 -5.505 111 HA ARG 20 HA ARG 20 1.801 0.965 -3.637 112 HB2 ARG 20 1HB ARG 20 2.179 1.725 -6.522 113 HB3 ARG 20 2HB ARG 20 3.286 2.296 -5.281 114 HG2 ARG 20 1HG ARG 20 3.948 0.078 -4.736 115 HG3 ARG 20 2HG ARG 20 2.668 -0.610 -5.736 116 HD2 ARG 20 1HD ARG 20 5.007 1.015 -6.730 117 HD3 ARG 20 2HD ARG 20 4.850 -0.738 -6.840 118 HE ARG 20 HE ARG 20 3.603 1.220 -8.527 119 HH11 ARG 20 1HH1 ARG 20 3.371 -2.013 -7.257 120 HH12 ARG 20 2HH1 ARG 20 2.401 -2.598 -8.567 121 HH21 ARG 20 1HH2 ARG 20 2.326 0.461 -10.258 122 HH22 ARG 20 2HH2 ARG 20 1.807 -1.190 -10.274 123 H PHE 21 H PHE 21 2.633 3.033 -2.898 124 HA PHE 21 HA PHE 21 1.253 5.445 -3.657 125 HB2 PHE 21 1HB PHE 21 0.915 4.523 -0.805 126 HB3 PHE 21 2HB PHE 21 0.139 5.887 -1.603 127 HD1 PHE 21 HD2 PHE 21 0.367 2.178 -1.734 128 HD2 PHE 21 HD1 PHE 21 -1.979 5.646 -2.496 129 HE1 PHE 21 HE2 PHE 21 -1.556 0.749 -2.293 130 HE2 PHE 21 HE1 PHE 21 -3.907 4.223 -3.055 131 HZ PHE 21 HZ PHE 21 -3.696 1.771 -2.955 132 H VAL 22 H VAL 22 2.084 7.344 -2.527 133 HA VAL 22 HA VAL 22 4.915 7.103 -2.066 134 HB VAL 22 HB VAL 22 4.342 9.037 -3.254 135 HG11 VAL 22 1HG1 VAL 22 2.676 10.703 -2.302 136 HG12 VAL 22 2HG1 VAL 22 2.012 9.196 -2.938 137 HG13 VAL 22 3HG1 VAL 22 2.184 9.420 -1.196 138 HG21 VAL 22 3HG2 VAL 22 5.127 10.847 -1.904 139 HG22 VAL 22 1HG2 VAL 22 4.620 10.034 -0.424 140 HG23 VAL 22 2HG2 VAL 22 5.957 9.384 -1.373 141 H GLN 23 H GLN 23 2.048 7.755 -0.128 142 HA GLN 23 HA GLN 23 3.730 7.594 2.285 143 HB2 GLN 23 1HB GLN 23 1.476 9.422 1.596 144 HB3 GLN 23 2HB GLN 23 1.652 8.914 3.271 145 HG2 GLN 23 1HG GLN 23 4.050 9.952 1.864 146 HG3 GLN 23 2HG GLN 23 2.800 11.097 2.348 147 HE21 GLN 23 1HE2 GLN 23 5.115 8.735 3.472 148 HE22 GLN 23 2HE2 GLN 23 5.166 9.277 5.112 149 H VAL 24 H VAL 24 2.995 6.353 3.988 150 HA VAL 24 HA VAL 24 1.478 4.089 3.410 151 HB VAL 24 HB VAL 24 3.098 4.667 5.424 152 HG11 VAL 24 1HG1 VAL 24 1.912 4.989 7.513 153 HG12 VAL 24 2HG1 VAL 24 1.559 6.319 6.409 154 HG13 VAL 24 3HG1 VAL 24 0.370 5.040 6.659 155 HG21 VAL 24 3HG2 VAL 24 1.242 2.583 4.826 156 HG22 VAL 24 1HG2 VAL 24 2.786 2.483 5.672 157 HG23 VAL 24 2HG2 VAL 24 1.306 2.809 6.574 158 H ALA 25 H ALA 25 0.539 7.108 5.005 159 HA ALA 25 HA ALA 25 -1.973 6.520 5.909 160 HB1 ALA 25 3HB ALA 25 -2.032 8.704 6.308 161 HB2 ALA 25 1HB ALA 25 -0.506 8.849 5.434 162 HB3 ALA 25 2HB ALA 25 -2.035 9.074 4.584 163 H HIS 26 H HIS 26 -0.920 6.819 2.610 164 HA HIS 26 HA HIS 26 -3.609 6.943 1.546 165 HB2 HIS 26 1HB HIS 26 -1.078 6.419 -0.010 166 HB3 HIS 26 2HB HIS 26 -2.597 7.086 -0.603 167 HD1 HIS 26 HD1 HIS 26 -0.560 8.870 -1.411 168 HD2 HIS 26 HD2 HIS 26 -1.884 8.969 2.526 169 HE1 HIS 26 HE1 HIS 26 0.111 11.129 -0.532 170 H LEU 27 H LEU 27 -0.924 4.604 1.490 171 HA LEU 27 HA LEU 27 -2.310 2.559 0.158 172 HB2 LEU 27 1HB LEU 27 0.008 2.336 0.228 173 HB3 LEU 27 2HB LEU 27 0.075 2.616 1.967 174 HG LEU 27 HG LEU 27 -0.891 0.394 2.354 175 HD11 LEU 27 1HD1 LEU 27 -2.149 0.289 0.210 176 HD12 LEU 27 2HD1 LEU 27 -1.227 -1.169 0.574 177 HD13 LEU 27 3HD1 LEU 27 -0.622 -0.019 -0.618 178 HD21 LEU 27 3HD2 LEU 27 1.506 0.588 2.358 179 HD22 LEU 27 1HD2 LEU 27 1.561 0.463 0.600 180 HD23 LEU 27 2HD2 LEU 27 1.059 -0.924 1.567 181 H ARG 28 H ARG 28 -1.659 2.950 3.643 182 HA ARG 28 HA ARG 28 -3.134 0.752 4.522 183 HB2 ARG 28 1HB ARG 28 -2.971 1.661 6.694 184 HB3 ARG 28 2HB ARG 28 -1.527 2.212 5.855 185 HG2 ARG 28 1HG ARG 28 -2.651 4.377 5.434 186 HG3 ARG 28 2HG ARG 28 -4.016 3.813 6.401 187 HD2 ARG 28 1HD ARG 28 -1.185 3.972 7.419 188 HD3 ARG 28 2HD ARG 28 -2.374 5.257 7.626 189 HE ARG 28 HE ARG 28 -3.627 3.082 8.636 190 HH11 ARG 28 1HH1 ARG 28 -0.517 4.539 9.208 191 HH12 ARG 28 2HH1 ARG 28 -0.436 4.029 10.862 192 HH21 ARG 28 1HH2 ARG 28 -3.532 2.405 10.813 193 HH22 ARG 28 2HH2 ARG 28 -2.152 2.815 11.773 194 H ALA 29 H ALA 29 -4.189 3.758 3.266 195 HA ALA 29 HA ALA 29 -6.852 3.527 4.432 196 HB1 ALA 29 3HB ALA 29 -7.287 5.665 3.258 197 HB2 ALA 29 1HB ALA 29 -5.916 5.743 4.365 198 HB3 ALA 29 2HB ALA 29 -5.642 5.616 2.627 199 H HIS 30 H HIS 30 -5.184 2.483 1.689 200 HA HIS 30 HA HIS 30 -7.607 2.335 0.050 201 HB2 HIS 30 1HB HIS 30 -5.955 3.071 -1.369 202 HB3 HIS 30 2HB HIS 30 -4.684 2.201 -0.514 203 HD1 HIS 30 HD1 HIS 30 -7.031 1.924 -3.349 204 HD2 HIS 30 HD2 HIS 30 -4.460 -0.559 -1.232 205 HE1 HIS 30 HE1 HIS 30 -6.769 -0.137 -4.766 206 H VAL 31 H VAL 31 -5.255 0.340 1.715 207 HA VAL 31 HA VAL 31 -5.991 -2.157 0.651 208 HB VAL 31 HB VAL 31 -5.165 -2.927 3.050 209 HG11 VAL 31 1HG1 VAL 31 -3.069 -1.665 1.346 210 HG12 VAL 31 2HG1 VAL 31 -3.092 -3.254 2.115 211 HG13 VAL 31 3HG1 VAL 31 -4.063 -2.956 0.672 212 HG21 VAL 31 3HG2 VAL 31 -5.228 -0.257 3.510 213 HG22 VAL 31 1HG2 VAL 31 -4.187 -1.390 4.372 214 HG23 VAL 31 2HG2 VAL 31 -3.551 -0.470 3.009 215 H LEU 32 H LEU 32 -7.585 -0.075 2.856 216 HA LEU 32 HA LEU 32 -9.083 -1.992 4.305 217 HB2 LEU 32 1HB LEU 32 -9.901 0.835 3.673 218 HB3 LEU 32 2HB LEU 32 -10.446 -0.161 5.021 219 HG LEU 32 HG LEU 32 -7.621 0.839 4.674 220 HD11 LEU 32 1HD1 LEU 32 -8.130 2.730 5.750 221 HD12 LEU 32 2HD1 LEU 32 -9.231 1.914 6.861 222 HD13 LEU 32 3HD1 LEU 32 -9.790 2.393 5.258 223 HD21 LEU 32 3HD2 LEU 32 -8.917 -0.229 7.163 224 HD22 LEU 32 1HD2 LEU 32 -7.203 0.009 6.825 225 HD23 LEU 32 2HD2 LEU 32 -8.090 -1.282 6.014 226 H ILE 33 H ILE 33 -9.328 -0.766 1.112 227 HA ILE 33 HA ILE 33 -12.058 -0.995 0.599 228 HB ILE 33 HB ILE 33 -11.510 -1.166 -1.732 229 HG12 ILE 33 1HG1 ILE 33 -8.787 -1.993 -0.734 230 HG13 ILE 33 2HG1 ILE 33 -9.872 -2.887 -1.793 231 HG21 ILE 33 1HG2 ILE 33 -9.669 0.648 -1.851 232 HG22 ILE 33 2HG2 ILE 33 -11.193 1.025 -1.048 233 HG23 ILE 33 3HG2 ILE 33 -9.768 0.627 -0.090 234 HD11 ILE 33 3HD1 ILE 33 -9.536 -0.936 -3.428 235 HD12 ILE 33 1HD1 ILE 33 -8.145 -0.531 -2.422 236 HD13 ILE 33 2HD1 ILE 33 -8.229 -2.101 -3.221 237 H HIS 34 H HIS 34 -9.494 -3.439 0.388 238 HA HIS 34 HA HIS 34 -11.265 -5.515 -0.475 239 HB2 HIS 34 1HB HIS 34 -8.598 -6.007 0.821 240 HB3 HIS 34 2HB HIS 34 -9.395 -6.930 -0.450 241 HD1 HIS 34 HD1 HIS 34 -9.264 -5.956 -2.874 242 HD2 HIS 34 HD2 HIS 34 -7.037 -3.885 -0.044 243 HE1 HIS 34 HE1 HIS 34 -7.714 -4.476 -4.190 244 H THR 35 H THR 35 -9.595 -4.832 2.595 245 HA THR 35 HA THR 35 -11.088 -6.889 3.970 246 HB THR 35 HB THR 35 -8.723 -6.373 4.556 247 HG1 THR 35 HG1 THR 35 -9.094 -6.763 6.683 248 HG21 THR 35 3HG2 THR 35 -8.826 -4.281 6.294 249 HG22 THR 35 1HG2 THR 35 -9.903 -3.720 5.015 250 HG23 THR 35 2HG2 THR 35 -8.241 -4.172 4.634 251 H GLY 36 H GLY 36 -12.738 -4.896 2.811 252 HA2 GLY 36 1HA GLY 36 -13.812 -3.601 5.242 253 HA3 GLY 36 2HA GLY 36 -13.884 -2.857 3.651 254 H SER 37 H SER 37 -16.163 -3.151 5.149 255 HA SER 37 HA SER 37 -17.584 -5.314 3.736 256 HB2 SER 37 1HB SER 37 -19.203 -5.273 5.648 257 HB3 SER 37 2HB SER 37 -17.580 -5.790 6.105 258 HG SER 37 HG SER 37 -18.687 -4.152 7.473 259 H GLY 38 H GLY 38 -19.635 -4.866 2.892 260 HA2 GLY 38 1HA GLY 38 -21.220 -2.665 3.187 261 HA3 GLY 38 2HA GLY 38 -19.993 -2.142 2.043 262 HA PRO 39 HA PRO 39 -23.535 -4.225 -0.204 263 HB2 PRO 39 1HB PRO 39 -24.102 -2.127 -1.832 264 HB3 PRO 39 2HB PRO 39 -24.835 -2.331 -0.236 265 HG2 PRO 39 1HG PRO 39 -22.531 -0.604 -1.056 266 HG3 PRO 39 2HG PRO 39 -23.889 -0.222 0.019 267 HD2 PRO 39 1HD PRO 39 -21.439 -0.898 0.952 268 HD3 PRO 39 2HD PRO 39 -22.935 -1.304 1.816 269 H SER 40 H SER 40 -20.561 -2.692 -0.952 270 HA SER 40 HA SER 40 -20.343 -2.876 -3.686 271 HB2 SER 40 1HB SER 40 -17.947 -3.012 -3.382 272 HB3 SER 40 2HB SER 40 -18.608 -1.951 -2.137 273 HG SER 40 HG SER 40 -18.165 -4.707 -1.688 274 H SER 41 H SER 41 -20.971 -4.541 -4.897 275 HA SER 41 HA SER 41 -19.594 -7.014 -4.825 276 HB2 SER 41 1HB SER 41 -21.242 -8.517 -4.056 277 HB3 SER 41 2HB SER 41 -21.266 -7.204 -2.879 278 HG SER 41 HG SER 41 -23.158 -7.921 -4.793 279 H GLY 42 H GLY 42 -20.639 -8.625 -6.392 280 HA2 GLY 42 1HA GLY 42 -22.595 -7.885 -8.239 281 HA3 GLY 42 2HA GLY 42 -21.055 -7.310 -8.861 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.467 1.783 -26.662 2 HA2 GLY 1 1HA GLY 1 3.015 0.739 -26.041 3 HA3 GLY 1 2HA GLY 1 2.677 2.392 -26.534 4 H SER 2 H SER 2 4.173 0.754 -24.238 5 HA SER 2 HA SER 2 4.802 1.139 -22.084 6 HB2 SER 2 1HB SER 2 5.440 3.321 -23.125 7 HB3 SER 2 2HB SER 2 3.874 3.967 -22.635 8 HG SER 2 HG SER 2 4.586 3.219 -20.438 9 H SER 3 H SER 3 2.269 0.049 -22.341 10 HA SER 3 HA SER 3 0.492 1.498 -20.554 11 HB2 SER 3 1HB SER 3 -1.065 -0.404 -20.980 12 HB3 SER 3 2HB SER 3 -0.526 0.392 -22.458 13 HG SER 3 HG SER 3 -0.462 -1.961 -22.479 14 H GLY 4 H GLY 4 2.880 0.808 -19.318 15 HA2 GLY 4 1HA GLY 4 1.884 -1.064 -17.283 16 HA3 GLY 4 2HA GLY 4 3.475 -1.335 -17.979 17 H SER 5 H SER 5 1.943 1.738 -17.108 18 HA SER 5 HA SER 5 2.913 3.516 -15.992 19 HB2 SER 5 1HB SER 5 3.015 1.386 -13.844 20 HB3 SER 5 2HB SER 5 2.912 3.128 -13.593 21 HG SER 5 HG SER 5 0.857 3.115 -14.440 22 H SER 6 H SER 6 4.876 2.351 -17.545 23 HA SER 6 HA SER 6 7.166 1.365 -16.555 24 HB2 SER 6 1HB SER 6 6.639 2.340 -18.915 25 HB3 SER 6 2HB SER 6 7.368 3.815 -18.282 26 HG SER 6 HG SER 6 8.629 1.276 -18.229 27 H GLY 7 H GLY 7 7.976 1.782 -14.587 28 HA2 GLY 7 1HA GLY 7 9.515 3.081 -13.308 29 HA3 GLY 7 2HA GLY 7 8.866 4.531 -14.059 30 H GLY 8 H GLY 8 8.580 5.521 -12.028 31 HA2 GLY 8 1HA GLY 8 6.659 6.185 -10.695 32 HA3 GLY 8 2HA GLY 8 6.236 4.484 -10.564 33 H GLU 9 H GLU 9 6.947 6.749 -8.608 34 HA GLU 9 HA GLU 9 8.951 5.221 -7.078 35 HB2 GLU 9 1HB GLU 9 9.561 7.358 -5.989 36 HB3 GLU 9 2HB GLU 9 9.863 7.367 -7.721 37 HG2 GLU 9 1HG GLU 9 7.561 8.485 -7.911 38 HG3 GLU 9 2HG GLU 9 7.722 8.781 -6.180 39 H LYS 10 H LYS 10 7.968 4.121 -5.520 40 HA LYS 10 HA LYS 10 6.367 5.478 -3.565 41 HB2 LYS 10 1HB LYS 10 5.064 3.280 -5.181 42 HB3 LYS 10 2HB LYS 10 4.356 4.122 -3.808 43 HG2 LYS 10 1HG LYS 10 4.420 6.221 -5.093 44 HG3 LYS 10 2HG LYS 10 5.058 5.329 -6.477 45 HD2 LYS 10 1HD LYS 10 3.063 4.194 -6.825 46 HD3 LYS 10 2HD LYS 10 2.504 4.468 -5.173 47 HE2 LYS 10 1HE LYS 10 1.194 5.934 -6.394 48 HE3 LYS 10 2HE LYS 10 2.512 6.969 -5.848 49 HZ1 LYS 10 3HZ LYS 10 1.853 7.142 -8.267 50 HZ2 LYS 10 1HZ LYS 10 2.562 5.621 -8.482 51 HZ3 LYS 10 2HZ LYS 10 3.501 6.925 -7.955 52 HA PRO 11 HA PRO 11 8.674 2.267 -1.460 53 HB2 PRO 11 1HB PRO 11 8.170 3.204 1.038 54 HB3 PRO 11 2HB PRO 11 9.390 3.914 -0.027 55 HG2 PRO 11 1HG PRO 11 6.594 4.830 0.527 56 HG3 PRO 11 2HG PRO 11 8.080 5.788 0.397 57 HD2 PRO 11 1HD PRO 11 6.288 5.596 -1.624 58 HD3 PRO 11 2HD PRO 11 8.031 5.782 -1.908 59 H TYR 12 H TYR 12 5.450 3.353 -0.418 60 HA TYR 12 HA TYR 12 4.877 0.826 0.853 61 HB2 TYR 12 1HB TYR 12 2.956 3.081 0.258 62 HB3 TYR 12 2HB TYR 12 2.756 1.796 1.443 63 HD1 TYR 12 HD1 TYR 12 3.995 1.839 3.549 64 HD2 TYR 12 HD2 TYR 12 4.372 4.987 0.712 65 HE1 TYR 12 HE1 TYR 12 5.033 3.257 5.270 66 HE2 TYR 12 HE2 TYR 12 5.412 6.414 2.425 67 HH TYR 12 HH TYR 12 6.578 5.235 5.339 68 H LYS 13 H LYS 13 3.850 -0.872 0.000 69 HA LYS 13 HA LYS 13 2.398 -0.536 -2.529 70 HB2 LYS 13 1HB LYS 13 4.516 -1.354 -3.248 71 HB3 LYS 13 2HB LYS 13 4.576 -2.540 -1.950 72 HG2 LYS 13 1HG LYS 13 2.403 -3.445 -3.113 73 HG3 LYS 13 2HG LYS 13 3.070 -2.602 -4.513 74 HD2 LYS 13 1HD LYS 13 4.861 -4.012 -4.680 75 HD3 LYS 13 2HD LYS 13 4.890 -4.356 -2.948 76 HE2 LYS 13 1HE LYS 13 2.654 -5.569 -3.386 77 HE3 LYS 13 2HE LYS 13 3.139 -5.530 -5.080 78 HZ1 LYS 13 3HZ LYS 13 3.816 -7.590 -4.039 79 HZ2 LYS 13 1HZ LYS 13 4.686 -6.749 -2.857 80 HZ3 LYS 13 2HZ LYS 13 5.180 -6.689 -4.473 81 H CYS 14 H CYS 14 0.552 -1.698 -2.690 82 HA CYS 14 HA CYS 14 -0.349 -3.093 -0.319 83 HB2 CYS 14 1HB CYS 14 -1.847 -1.527 -1.495 84 HB3 CYS 14 2HB CYS 14 -1.780 -2.547 -2.929 85 H GLU 15 H GLU 15 0.103 -5.168 -0.035 86 HA GLU 15 HA GLU 15 0.875 -6.883 -2.193 87 HB2 GLU 15 1HB GLU 15 0.242 -7.597 0.675 88 HB3 GLU 15 2HB GLU 15 1.094 -8.608 -0.482 89 HG2 GLU 15 1HG GLU 15 2.790 -6.700 -0.619 90 HG3 GLU 15 2HG GLU 15 2.025 -6.093 0.849 91 H THR 16 H THR 16 -2.071 -6.210 -0.492 92 HA THR 16 HA THR 16 -3.530 -8.531 -0.959 93 HB THR 16 HB THR 16 -4.460 -5.660 -0.834 94 HG1 THR 16 HG1 THR 16 -4.987 -6.232 1.284 95 HG21 THR 16 3HG2 THR 16 -6.709 -6.725 -0.332 96 HG22 THR 16 1HG2 THR 16 -6.043 -8.218 -0.993 97 HG23 THR 16 2HG2 THR 16 -6.179 -6.786 -2.013 98 H CYS 17 H CYS 17 -3.076 -5.694 -3.036 99 HA CYS 17 HA CYS 17 -4.166 -7.270 -5.276 100 HB2 CYS 17 1HB CYS 17 -5.096 -5.273 -6.237 101 HB3 CYS 17 2HB CYS 17 -5.646 -5.377 -4.568 102 H GLY 18 H GLY 18 -1.868 -4.781 -4.265 103 HA2 GLY 18 1HA GLY 18 0.436 -5.143 -5.130 104 HA3 GLY 18 2HA GLY 18 -0.307 -5.368 -6.707 105 H ALA 19 H ALA 19 -1.752 -2.959 -4.774 106 HA ALA 19 HA ALA 19 -1.078 -0.904 -6.624 107 HB1 ALA 19 3HB ALA 19 -2.403 -0.743 -3.920 108 HB2 ALA 19 1HB ALA 19 -2.301 0.580 -5.082 109 HB3 ALA 19 2HB ALA 19 -3.209 -0.878 -5.483 110 H ARG 20 H ARG 20 -0.393 1.325 -5.540 111 HA ARG 20 HA ARG 20 1.761 0.996 -3.619 112 HB2 ARG 20 1HB ARG 20 2.192 1.796 -6.486 113 HB3 ARG 20 2HB ARG 20 3.291 2.321 -5.218 114 HG2 ARG 20 1HG ARG 20 3.992 0.136 -4.761 115 HG3 ARG 20 2HG ARG 20 2.626 -0.573 -5.625 116 HD2 ARG 20 1HD ARG 20 4.936 0.941 -6.837 117 HD3 ARG 20 2HD ARG 20 4.651 -0.796 -6.937 118 HE ARG 20 HE ARG 20 2.434 0.629 -7.963 119 HH11 ARG 20 1HH1 ARG 20 5.710 -0.263 -8.729 120 HH12 ARG 20 2HH1 ARG 20 5.460 -0.217 -10.443 121 HH21 ARG 20 1HH2 ARG 20 2.092 0.693 -10.217 122 HH22 ARG 20 2HH2 ARG 20 3.402 0.328 -11.288 123 H PHE 21 H PHE 21 2.619 3.055 -2.862 124 HA PHE 21 HA PHE 21 1.257 5.482 -3.603 125 HB2 PHE 21 1HB PHE 21 0.914 4.539 -0.759 126 HB3 PHE 21 2HB PHE 21 0.148 5.916 -1.543 127 HD1 PHE 21 HD2 PHE 21 0.347 2.206 -1.707 128 HD2 PHE 21 HD1 PHE 21 -1.972 5.700 -2.438 129 HE1 PHE 21 HE2 PHE 21 -1.588 0.798 -2.278 130 HE2 PHE 21 HE1 PHE 21 -3.911 4.297 -3.009 131 HZ PHE 21 HZ PHE 21 -3.721 1.843 -2.931 132 H VAL 22 H VAL 22 2.119 7.368 -2.502 133 HA VAL 22 HA VAL 22 4.942 7.107 -2.036 134 HB VAL 22 HB VAL 22 4.355 9.055 -3.205 135 HG11 VAL 22 1HG1 VAL 22 2.035 9.235 -2.837 136 HG12 VAL 22 2HG1 VAL 22 2.247 9.441 -1.097 137 HG13 VAL 22 3HG1 VAL 22 2.728 10.727 -2.204 138 HG21 VAL 22 3HG2 VAL 22 5.116 10.875 -1.795 139 HG22 VAL 22 1HG2 VAL 22 4.754 9.935 -0.347 140 HG23 VAL 22 2HG2 VAL 22 6.038 9.414 -1.439 141 H GLN 23 H GLN 23 2.089 7.768 -0.077 142 HA GLN 23 HA GLN 23 3.782 7.562 2.326 143 HB2 GLN 23 1HB GLN 23 1.531 9.412 1.676 144 HB3 GLN 23 2HB GLN 23 1.737 8.896 3.345 145 HG2 GLN 23 1HG GLN 23 4.058 9.995 1.826 146 HG3 GLN 23 2HG GLN 23 2.854 11.082 2.516 147 HE21 GLN 23 1HE2 GLN 23 4.256 11.975 3.993 148 HE22 GLN 23 2HE2 GLN 23 4.856 11.106 5.361 149 H VAL 24 H VAL 24 3.031 6.326 4.031 150 HA VAL 24 HA VAL 24 1.500 4.075 3.438 151 HB VAL 24 HB VAL 24 3.121 4.625 5.456 152 HG11 VAL 24 1HG1 VAL 24 1.583 6.295 6.432 153 HG12 VAL 24 2HG1 VAL 24 0.404 5.011 6.708 154 HG13 VAL 24 3HG1 VAL 24 1.959 4.977 7.542 155 HG21 VAL 24 3HG2 VAL 24 1.228 2.569 4.859 156 HG22 VAL 24 1HG2 VAL 24 2.781 2.443 5.686 157 HG23 VAL 24 2HG2 VAL 24 1.317 2.787 6.607 158 H ALA 25 H ALA 25 0.577 7.122 4.970 159 HA ALA 25 HA ALA 25 -1.939 6.546 5.899 160 HB1 ALA 25 3HB ALA 25 -0.469 8.833 5.560 161 HB2 ALA 25 1HB ALA 25 -1.846 9.102 4.491 162 HB3 ALA 25 2HB ALA 25 -2.110 8.755 6.201 163 H HIS 26 H HIS 26 -0.882 6.843 2.597 164 HA HIS 26 HA HIS 26 -3.566 6.973 1.528 165 HB2 HIS 26 1HB HIS 26 -1.033 6.421 -0.016 166 HB3 HIS 26 2HB HIS 26 -2.547 7.087 -0.622 167 HD1 HIS 26 HD1 HIS 26 -0.469 8.843 -1.425 168 HD2 HIS 26 HD2 HIS 26 -1.874 9.011 2.481 169 HE1 HIS 26 HE1 HIS 26 0.198 11.111 -0.568 170 H LEU 27 H LEU 27 -0.902 4.610 1.488 171 HA LEU 27 HA LEU 27 -2.298 2.570 0.164 172 HB2 LEU 27 1HB LEU 27 0.020 2.332 0.258 173 HB3 LEU 27 2HB LEU 27 0.069 2.609 1.997 174 HG LEU 27 HG LEU 27 -0.947 0.392 2.354 175 HD11 LEU 27 1HD1 LEU 27 -0.565 -0.011 -0.606 176 HD12 LEU 27 2HD1 LEU 27 -2.121 0.297 0.164 177 HD13 LEU 27 3HD1 LEU 27 -1.217 -1.165 0.557 178 HD21 LEU 27 3HD2 LEU 27 1.022 -0.926 1.708 179 HD22 LEU 27 1HD2 LEU 27 1.468 0.625 2.418 180 HD23 LEU 27 2HD2 LEU 27 1.557 0.397 0.671 181 H ARG 28 H ARG 28 -1.668 2.970 3.652 182 HA ARG 28 HA ARG 28 -3.163 0.795 4.538 183 HB2 ARG 28 1HB ARG 28 -3.019 1.724 6.700 184 HB3 ARG 28 2HB ARG 28 -1.570 2.276 5.870 185 HG2 ARG 28 1HG ARG 28 -2.623 4.441 5.462 186 HG3 ARG 28 2HG ARG 28 -4.080 3.886 6.289 187 HD2 ARG 28 1HD ARG 28 -1.450 3.745 7.693 188 HD3 ARG 28 2HD ARG 28 -2.276 5.297 7.561 189 HE ARG 28 HE ARG 28 -2.954 3.157 9.297 190 HH11 ARG 28 1HH1 ARG 28 -4.344 5.694 7.360 191 HH12 ARG 28 2HH1 ARG 28 -5.769 5.837 8.336 192 HH21 ARG 28 1HH2 ARG 28 -4.825 3.335 10.589 193 HH22 ARG 28 2HH2 ARG 28 -6.041 4.495 10.173 194 H ALA 29 H ALA 29 -4.203 3.765 3.207 195 HA ALA 29 HA ALA 29 -6.876 3.571 4.358 196 HB1 ALA 29 3HB ALA 29 -6.426 5.790 4.297 197 HB2 ALA 29 1HB ALA 29 -5.351 5.648 2.906 198 HB3 ALA 29 2HB ALA 29 -7.100 5.633 2.675 199 H HIS 30 H HIS 30 -5.185 2.464 1.651 200 HA HIS 30 HA HIS 30 -7.597 2.274 -0.001 201 HB2 HIS 30 1HB HIS 30 -5.937 2.977 -1.426 202 HB3 HIS 30 2HB HIS 30 -4.670 2.132 -0.541 203 HD1 HIS 30 HD1 HIS 30 -6.952 1.801 -3.410 204 HD2 HIS 30 HD2 HIS 30 -4.478 -0.667 -1.163 205 HE1 HIS 30 HE1 HIS 30 -6.685 -0.300 -4.768 206 H VAL 31 H VAL 31 -5.252 0.320 1.724 207 HA VAL 31 HA VAL 31 -5.982 -2.201 0.714 208 HB VAL 31 HB VAL 31 -5.170 -2.902 3.148 209 HG11 VAL 31 1HG1 VAL 31 -2.801 -2.659 2.276 210 HG12 VAL 31 2HG1 VAL 31 -3.933 -3.530 1.240 211 HG13 VAL 31 3HG1 VAL 31 -3.506 -1.858 0.872 212 HG21 VAL 31 3HG2 VAL 31 -3.551 -0.445 2.995 213 HG22 VAL 31 1HG2 VAL 31 -5.217 -0.234 3.532 214 HG23 VAL 31 2HG2 VAL 31 -4.143 -1.330 4.400 215 H LEU 32 H LEU 32 -7.605 -0.064 2.833 216 HA LEU 32 HA LEU 32 -9.104 -1.956 4.326 217 HB2 LEU 32 1HB LEU 32 -9.912 0.862 3.644 218 HB3 LEU 32 2HB LEU 32 -10.461 -0.109 5.009 219 HG LEU 32 HG LEU 32 -7.635 0.884 4.647 220 HD11 LEU 32 1HD1 LEU 32 -9.153 2.756 4.959 221 HD12 LEU 32 2HD1 LEU 32 -8.180 2.497 6.405 222 HD13 LEU 32 3HD1 LEU 32 -9.861 1.967 6.368 223 HD21 LEU 32 3HD2 LEU 32 -8.664 0.118 7.290 224 HD22 LEU 32 1HD2 LEU 32 -7.097 -0.195 6.543 225 HD23 LEU 32 2HD2 LEU 32 -8.483 -1.209 6.143 226 H ILE 33 H ILE 33 -9.298 -0.850 1.103 227 HA ILE 33 HA ILE 33 -12.047 -1.077 0.596 228 HB ILE 33 HB ILE 33 -11.501 -1.226 -1.730 229 HG12 ILE 33 1HG1 ILE 33 -8.771 -2.052 -0.750 230 HG13 ILE 33 2HG1 ILE 33 -9.862 -2.946 -1.803 231 HG21 ILE 33 1HG2 ILE 33 -9.757 0.563 -0.087 232 HG22 ILE 33 2HG2 ILE 33 -9.657 0.588 -1.847 233 HG23 ILE 33 3HG2 ILE 33 -11.182 0.964 -1.045 234 HD11 ILE 33 3HD1 ILE 33 -9.540 -0.985 -3.434 235 HD12 ILE 33 1HD1 ILE 33 -8.137 -0.592 -2.440 236 HD13 ILE 33 2HD1 ILE 33 -8.236 -2.158 -3.246 237 H HIS 34 H HIS 34 -9.453 -3.481 0.507 238 HA HIS 34 HA HIS 34 -11.222 -5.588 -0.357 239 HB2 HIS 34 1HB HIS 34 -8.514 -6.093 0.822 240 HB3 HIS 34 2HB HIS 34 -9.336 -6.943 -0.483 241 HD1 HIS 34 HD1 HIS 34 -9.200 -5.889 -2.854 242 HD2 HIS 34 HD2 HIS 34 -7.022 -3.870 0.051 243 HE1 HIS 34 HE1 HIS 34 -7.689 -4.322 -4.114 244 H THR 35 H THR 35 -9.235 -5.144 2.576 245 HA THR 35 HA THR 35 -10.502 -7.172 4.056 246 HB THR 35 HB THR 35 -8.320 -6.365 4.722 247 HG1 THR 35 HG1 THR 35 -8.906 -6.895 6.676 248 HG21 THR 35 3HG2 THR 35 -9.500 -3.805 5.729 249 HG22 THR 35 1HG2 THR 35 -8.964 -3.931 4.054 250 HG23 THR 35 2HG2 THR 35 -7.818 -4.195 5.368 251 H GLY 36 H GLY 36 -12.764 -6.655 3.525 252 HA2 GLY 36 1HA GLY 36 -13.850 -4.706 5.458 253 HA3 GLY 36 2HA GLY 36 -14.482 -4.813 3.822 254 H SER 37 H SER 37 -15.860 -5.188 6.376 255 HA SER 37 HA SER 37 -16.341 -7.940 6.834 256 HB2 SER 37 1HB SER 37 -16.873 -6.339 8.559 257 HB3 SER 37 2HB SER 37 -17.990 -5.490 7.491 258 HG SER 37 HG SER 37 -18.271 -8.137 8.478 259 H GLY 38 H GLY 38 -17.725 -9.350 5.921 260 HA2 GLY 38 1HA GLY 38 -19.824 -9.832 4.818 261 HA3 GLY 38 2HA GLY 38 -19.665 -8.306 3.960 262 HA PRO 39 HA PRO 39 -18.345 -11.612 1.040 263 HB2 PRO 39 1HB PRO 39 -19.521 -10.469 -1.124 264 HB3 PRO 39 2HB PRO 39 -20.388 -11.533 -0.009 265 HG2 PRO 39 1HG PRO 39 -20.354 -8.542 -0.134 266 HG3 PRO 39 2HG PRO 39 -21.727 -9.636 0.115 267 HD2 PRO 39 1HD PRO 39 -20.522 -8.323 2.154 268 HD3 PRO 39 2HD PRO 39 -21.248 -9.931 2.351 269 H SER 40 H SER 40 -16.431 -11.529 0.042 270 HA SER 40 HA SER 40 -15.089 -8.994 -0.271 271 HB2 SER 40 1HB SER 40 -13.141 -10.351 -0.909 272 HB3 SER 40 2HB SER 40 -13.869 -10.954 0.580 273 HG SER 40 HG SER 40 -15.059 -12.420 -0.940 274 H SER 41 H SER 41 -16.181 -7.927 -1.918 275 HA SER 41 HA SER 41 -17.166 -8.690 -4.275 276 HB2 SER 41 1HB SER 41 -16.417 -6.546 -5.255 277 HB3 SER 41 2HB SER 41 -17.036 -6.338 -3.617 278 HG SER 41 HG SER 41 -14.702 -5.589 -4.526 279 H GLY 42 H GLY 42 -13.691 -8.233 -3.683 280 HA2 GLY 42 1HA GLY 42 -12.934 -9.045 -6.323 281 HA3 GLY 42 2HA GLY 42 -11.857 -8.825 -4.952 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -5.642 2.401 -23.091 2 HA2 GLY 1 1HA GLY 1 -5.898 0.506 -21.602 3 HA3 GLY 1 2HA GLY 1 -4.200 0.610 -22.042 4 H SER 2 H SER 2 -4.250 -0.675 -19.913 5 HA SER 2 HA SER 2 -4.193 1.160 -17.615 6 HB2 SER 2 1HB SER 2 -4.504 -1.839 -17.786 7 HB3 SER 2 2HB SER 2 -4.195 -0.998 -16.268 8 HG SER 2 HG SER 2 -6.450 -1.368 -16.728 9 H SER 3 H SER 3 -2.202 1.995 -17.444 10 HA SER 3 HA SER 3 0.122 0.264 -17.864 11 HB2 SER 3 1HB SER 3 0.219 2.357 -19.064 12 HB3 SER 3 2HB SER 3 -0.124 3.268 -17.593 13 HG SER 3 HG SER 3 2.242 2.346 -18.528 14 H GLY 4 H GLY 4 -1.122 2.604 -15.481 15 HA2 GLY 4 1HA GLY 4 -1.107 2.320 -13.150 16 HA3 GLY 4 2HA GLY 4 0.002 0.970 -13.343 17 H SER 5 H SER 5 0.037 4.440 -14.175 18 HA SER 5 HA SER 5 1.802 5.921 -14.128 19 HB2 SER 5 1HB SER 5 2.346 6.567 -11.902 20 HB3 SER 5 2HB SER 5 0.701 5.934 -11.832 21 HG SER 5 HG SER 5 1.832 3.863 -11.278 22 H SER 6 H SER 6 2.703 3.600 -15.275 23 HA SER 6 HA SER 6 4.763 2.170 -14.276 24 HB2 SER 6 1HB SER 6 5.666 1.995 -16.519 25 HB3 SER 6 2HB SER 6 3.905 2.028 -16.617 26 HG SER 6 HG SER 6 4.160 4.345 -17.014 27 H GLY 7 H GLY 7 6.926 2.409 -13.847 28 HA2 GLY 7 1HA GLY 7 8.868 3.483 -13.261 29 HA3 GLY 7 2HA GLY 7 8.513 4.613 -14.560 30 H GLY 8 H GLY 8 7.392 3.850 -11.258 31 HA2 GLY 8 1HA GLY 8 7.455 6.746 -10.703 32 HA3 GLY 8 2HA GLY 8 6.067 5.774 -10.237 33 H GLU 9 H GLU 9 7.447 7.259 -8.371 34 HA GLU 9 HA GLU 9 9.072 5.290 -6.917 35 HB2 GLU 9 1HB GLU 9 9.563 7.374 -5.455 36 HB3 GLU 9 2HB GLU 9 10.328 7.241 -7.032 37 HG2 GLU 9 1HG GLU 9 8.905 8.837 -7.984 38 HG3 GLU 9 2HG GLU 9 7.763 8.740 -6.646 39 H LYS 10 H LYS 10 8.098 4.173 -5.376 40 HA LYS 10 HA LYS 10 6.351 5.448 -3.477 41 HB2 LYS 10 1HB LYS 10 5.251 3.242 -5.229 42 HB3 LYS 10 2HB LYS 10 4.430 3.975 -3.857 43 HG2 LYS 10 1HG LYS 10 4.495 6.150 -5.058 44 HG3 LYS 10 2HG LYS 10 5.158 5.303 -6.458 45 HD2 LYS 10 1HD LYS 10 3.184 4.218 -6.905 46 HD3 LYS 10 2HD LYS 10 2.644 4.282 -5.225 47 HE2 LYS 10 1HE LYS 10 1.273 5.766 -6.506 48 HE3 LYS 10 2HE LYS 10 2.335 6.740 -5.492 49 HZ1 LYS 10 3HZ LYS 10 2.499 6.275 -8.406 50 HZ2 LYS 10 1HZ LYS 10 3.835 6.828 -7.526 51 HZ3 LYS 10 2HZ LYS 10 2.416 7.747 -7.575 52 HA PRO 11 HA PRO 11 8.717 2.278 -1.342 53 HB2 PRO 11 1HB PRO 11 8.210 3.249 1.141 54 HB3 PRO 11 2HB PRO 11 9.434 3.942 0.071 55 HG2 PRO 11 1HG PRO 11 6.639 4.873 0.605 56 HG3 PRO 11 2HG PRO 11 8.129 5.825 0.466 57 HD2 PRO 11 1HD PRO 11 6.342 5.612 -1.558 58 HD3 PRO 11 2HD PRO 11 8.086 5.789 -1.838 59 H TYR 12 H TYR 12 5.455 3.357 -0.464 60 HA TYR 12 HA TYR 12 4.879 0.857 0.885 61 HB2 TYR 12 1HB TYR 12 2.973 3.114 0.253 62 HB3 TYR 12 2HB TYR 12 2.755 1.838 1.446 63 HD1 TYR 12 HD1 TYR 12 4.014 1.876 3.551 64 HD2 TYR 12 HD2 TYR 12 4.352 5.033 0.718 65 HE1 TYR 12 HE1 TYR 12 5.041 3.302 5.272 66 HE2 TYR 12 HE2 TYR 12 5.381 6.467 2.431 67 HH TYR 12 HH TYR 12 6.445 5.247 5.454 68 H LYS 13 H LYS 13 3.878 -0.851 0.028 69 HA LYS 13 HA LYS 13 2.455 -0.532 -2.523 70 HB2 LYS 13 1HB LYS 13 4.567 -1.393 -3.196 71 HB3 LYS 13 2HB LYS 13 4.600 -2.548 -1.870 72 HG2 LYS 13 1HG LYS 13 2.444 -3.477 -3.029 73 HG3 LYS 13 2HG LYS 13 3.108 -2.655 -4.443 74 HD2 LYS 13 1HD LYS 13 4.910 -4.059 -4.582 75 HD3 LYS 13 2HD LYS 13 4.928 -4.382 -2.847 76 HE2 LYS 13 1HE LYS 13 2.768 -5.659 -3.207 77 HE3 LYS 13 2HE LYS 13 3.092 -5.533 -4.936 78 HZ1 LYS 13 3HZ LYS 13 5.311 -6.508 -3.363 79 HZ2 LYS 13 1HZ LYS 13 4.688 -7.078 -4.829 80 HZ3 LYS 13 2HZ LYS 13 3.961 -7.528 -3.369 81 H CYS 14 H CYS 14 0.609 -1.697 -2.719 82 HA CYS 14 HA CYS 14 -0.373 -3.015 -0.336 83 HB2 CYS 14 1HB CYS 14 -1.939 -1.579 -1.409 84 HB3 CYS 14 2HB CYS 14 -1.635 -2.307 -2.983 85 H GLU 15 H GLU 15 0.091 -5.078 0.019 86 HA GLU 15 HA GLU 15 0.876 -6.862 -2.081 87 HB2 GLU 15 1HB GLU 15 0.247 -7.482 0.810 88 HB3 GLU 15 2HB GLU 15 1.103 -8.527 -0.315 89 HG2 GLU 15 1HG GLU 15 2.785 -6.604 -0.514 90 HG3 GLU 15 2HG GLU 15 2.024 -5.974 0.946 91 H THR 16 H THR 16 -2.070 -6.133 -0.406 92 HA THR 16 HA THR 16 -3.522 -8.477 -0.799 93 HB THR 16 HB THR 16 -4.450 -5.605 -0.723 94 HG1 THR 16 HG1 THR 16 -5.294 -6.671 1.372 95 HG21 THR 16 3HG2 THR 16 -6.164 -6.743 -1.902 96 HG22 THR 16 1HG2 THR 16 -6.708 -6.643 -0.228 97 HG23 THR 16 2HG2 THR 16 -6.049 -8.155 -0.852 98 H CYS 17 H CYS 17 -2.937 -5.764 -2.978 99 HA CYS 17 HA CYS 17 -4.070 -7.376 -5.164 100 HB2 CYS 17 1HB CYS 17 -5.042 -5.431 -6.173 101 HB3 CYS 17 2HB CYS 17 -5.573 -5.477 -4.495 102 H GLY 18 H GLY 18 -1.814 -4.827 -4.213 103 HA2 GLY 18 1HA GLY 18 0.499 -5.191 -5.069 104 HA3 GLY 18 2HA GLY 18 -0.245 -5.441 -6.642 105 H ALA 19 H ALA 19 -1.707 -3.020 -4.736 106 HA ALA 19 HA ALA 19 -1.065 -0.983 -6.611 107 HB1 ALA 19 3HB ALA 19 -3.002 -0.312 -5.729 108 HB2 ALA 19 1HB ALA 19 -2.764 -1.268 -4.265 109 HB3 ALA 19 2HB ALA 19 -2.040 0.335 -4.401 110 H ARG 20 H ARG 20 -0.403 1.270 -5.520 111 HA ARG 20 HA ARG 20 1.789 0.973 -3.642 112 HB2 ARG 20 1HB ARG 20 2.171 1.724 -6.527 113 HB3 ARG 20 2HB ARG 20 3.274 2.310 -5.289 114 HG2 ARG 20 1HG ARG 20 3.974 0.118 -4.742 115 HG3 ARG 20 2HG ARG 20 2.671 -0.605 -5.687 116 HD2 ARG 20 1HD ARG 20 4.964 1.013 -6.793 117 HD3 ARG 20 2HD ARG 20 4.826 -0.744 -6.847 118 HE ARG 20 HE ARG 20 2.633 0.699 -8.058 119 HH11 ARG 20 1HH1 ARG 20 5.729 -0.822 -8.529 120 HH12 ARG 20 2HH1 ARG 20 5.500 -1.058 -10.230 121 HH21 ARG 20 1HH2 ARG 20 2.321 0.395 -10.297 122 HH22 ARG 20 2HH2 ARG 20 3.562 -0.364 -11.235 123 H PHE 21 H PHE 21 2.631 3.039 -2.903 124 HA PHE 21 HA PHE 21 1.257 5.455 -3.657 125 HB2 PHE 21 1HB PHE 21 0.920 4.532 -0.806 126 HB3 PHE 21 2HB PHE 21 0.146 5.898 -1.602 127 HD1 PHE 21 HD2 PHE 21 0.364 2.188 -1.730 128 HD2 PHE 21 HD1 PHE 21 -1.972 5.662 -2.497 129 HE1 PHE 21 HE2 PHE 21 -1.563 0.765 -2.288 130 HE2 PHE 21 HE1 PHE 21 -3.904 4.244 -3.056 131 HZ PHE 21 HZ PHE 21 -3.701 1.792 -2.953 132 H VAL 22 H VAL 22 2.090 7.350 -2.513 133 HA VAL 22 HA VAL 22 4.922 7.100 -2.059 134 HB VAL 22 HB VAL 22 4.354 9.038 -3.245 135 HG11 VAL 22 1HG1 VAL 22 2.194 9.415 -1.189 136 HG12 VAL 22 2HG1 VAL 22 2.694 10.708 -2.281 137 HG13 VAL 22 3HG1 VAL 22 2.029 9.211 -2.933 138 HG21 VAL 22 3HG2 VAL 22 4.650 10.011 -0.407 139 HG22 VAL 22 1HG2 VAL 22 5.977 9.389 -1.387 140 HG23 VAL 22 2HG2 VAL 22 5.127 10.853 -1.881 141 H GLN 23 H GLN 23 2.057 7.748 -0.120 142 HA GLN 23 HA GLN 23 3.740 7.589 2.293 143 HB2 GLN 23 1HB GLN 23 1.468 9.402 1.615 144 HB3 GLN 23 2HB GLN 23 1.672 8.904 3.289 145 HG2 GLN 23 1HG GLN 23 4.042 9.954 1.845 146 HG3 GLN 23 2HG GLN 23 2.789 11.092 2.337 147 HE21 GLN 23 1HE2 GLN 23 5.137 8.757 3.448 148 HE22 GLN 23 2HE2 GLN 23 5.204 9.310 5.083 149 H VAL 24 H VAL 24 2.996 6.360 4.007 150 HA VAL 24 HA VAL 24 1.492 4.085 3.424 151 HB VAL 24 HB VAL 24 3.109 4.671 5.439 152 HG11 VAL 24 1HG1 VAL 24 1.940 5.005 7.523 153 HG12 VAL 24 2HG1 VAL 24 1.531 6.313 6.410 154 HG13 VAL 24 3HG1 VAL 24 0.386 5.001 6.691 155 HG21 VAL 24 3HG2 VAL 24 2.766 2.534 6.016 156 HG22 VAL 24 1HG2 VAL 24 1.060 2.809 6.372 157 HG23 VAL 24 2HG2 VAL 24 1.579 2.519 4.712 158 H ALA 25 H ALA 25 0.543 7.110 4.998 159 HA ALA 25 HA ALA 25 -1.967 6.511 5.909 160 HB1 ALA 25 3HB ALA 25 -2.070 8.701 6.286 161 HB2 ALA 25 1HB ALA 25 -0.507 8.835 5.480 162 HB3 ALA 25 2HB ALA 25 -1.996 9.070 4.564 163 H HIS 26 H HIS 26 -0.915 6.843 2.608 164 HA HIS 26 HA HIS 26 -3.600 6.956 1.541 165 HB2 HIS 26 1HB HIS 26 -1.076 6.421 -0.019 166 HB3 HIS 26 2HB HIS 26 -2.588 7.109 -0.603 167 HD1 HIS 26 HD1 HIS 26 -0.492 8.855 -1.392 168 HD2 HIS 26 HD2 HIS 26 -1.883 8.983 2.521 169 HE1 HIS 26 HE1 HIS 26 0.199 11.105 -0.506 170 H LEU 27 H LEU 27 -0.919 4.612 1.490 171 HA LEU 27 HA LEU 27 -2.305 2.569 0.155 172 HB2 LEU 27 1HB LEU 27 0.011 2.338 0.231 173 HB3 LEU 27 2HB LEU 27 0.076 2.626 1.969 174 HG LEU 27 HG LEU 27 -0.894 0.408 2.365 175 HD11 LEU 27 1HD1 LEU 27 -2.155 0.286 0.229 176 HD12 LEU 27 2HD1 LEU 27 -1.218 -1.165 0.585 177 HD13 LEU 27 3HD1 LEU 27 -0.630 -0.007 -0.608 178 HD21 LEU 27 3HD2 LEU 27 1.054 -0.917 1.583 179 HD22 LEU 27 1HD2 LEU 27 1.501 0.595 2.374 180 HD23 LEU 27 2HD2 LEU 27 1.562 0.469 0.616 181 H ARG 28 H ARG 28 -1.657 2.951 3.643 182 HA ARG 28 HA ARG 28 -3.139 0.760 4.518 183 HB2 ARG 28 1HB ARG 28 -2.984 1.670 6.690 184 HB3 ARG 28 2HB ARG 28 -1.537 2.219 5.855 185 HG2 ARG 28 1HG ARG 28 -2.622 4.389 5.446 186 HG3 ARG 28 2HG ARG 28 -4.030 3.832 6.352 187 HD2 ARG 28 1HD ARG 28 -1.248 3.921 7.500 188 HD3 ARG 28 2HD ARG 28 -2.394 5.254 7.637 189 HE ARG 28 HE ARG 28 -3.600 4.034 9.181 190 HH11 ARG 28 1HH1 ARG 28 -1.142 2.043 7.729 191 HH12 ARG 28 2HH1 ARG 28 -1.326 0.754 8.872 192 HH21 ARG 28 1HH2 ARG 28 -3.852 2.344 10.693 193 HH22 ARG 28 2HH2 ARG 28 -2.869 0.926 10.557 194 H ALA 29 H ALA 29 -4.189 3.761 3.252 195 HA ALA 29 HA ALA 29 -6.855 3.539 4.413 196 HB1 ALA 29 3HB ALA 29 -6.044 5.757 4.373 197 HB2 ALA 29 1HB ALA 29 -5.541 5.622 2.688 198 HB3 ALA 29 2HB ALA 29 -7.257 5.660 3.096 199 H HIS 30 H HIS 30 -5.182 2.480 1.677 200 HA HIS 30 HA HIS 30 -7.605 2.323 0.036 201 HB2 HIS 30 1HB HIS 30 -5.952 3.054 -1.384 202 HB3 HIS 30 2HB HIS 30 -4.681 2.188 -0.525 203 HD1 HIS 30 HD1 HIS 30 -7.010 1.906 -3.369 204 HD2 HIS 30 HD2 HIS 30 -4.470 -0.583 -1.221 205 HE1 HIS 30 HE1 HIS 30 -6.750 -0.163 -4.775 206 H VAL 31 H VAL 31 -5.254 0.338 1.715 207 HA VAL 31 HA VAL 31 -5.986 -2.164 0.661 208 HB VAL 31 HB VAL 31 -5.163 -2.918 3.070 209 HG11 VAL 31 1HG1 VAL 31 -3.106 -3.276 2.126 210 HG12 VAL 31 2HG1 VAL 31 -4.062 -2.948 0.679 211 HG13 VAL 31 3HG1 VAL 31 -3.050 -1.682 1.375 212 HG21 VAL 31 3HG2 VAL 31 -4.167 -1.372 4.373 213 HG22 VAL 31 1HG2 VAL 31 -3.552 -0.457 2.996 214 HG23 VAL 31 2HG2 VAL 31 -5.225 -0.251 3.516 215 H LEU 32 H LEU 32 -7.583 -0.073 2.857 216 HA LEU 32 HA LEU 32 -9.081 -1.987 4.312 217 HB2 LEU 32 1HB LEU 32 -9.884 0.843 3.670 218 HB3 LEU 32 2HB LEU 32 -10.453 -0.149 5.011 219 HG LEU 32 HG LEU 32 -7.633 0.876 4.688 220 HD11 LEU 32 1HD1 LEU 32 -10.038 2.106 5.739 221 HD12 LEU 32 2HD1 LEU 32 -8.456 2.812 5.411 222 HD13 LEU 32 3HD1 LEU 32 -8.757 2.000 6.948 223 HD21 LEU 32 3HD2 LEU 32 -8.553 -1.276 6.154 224 HD22 LEU 32 1HD2 LEU 32 -8.511 0.041 7.326 225 HD23 LEU 32 2HD2 LEU 32 -7.054 -0.388 6.429 226 H ILE 33 H ILE 33 -9.315 -0.790 1.112 227 HA ILE 33 HA ILE 33 -12.048 -1.014 0.598 228 HB ILE 33 HB ILE 33 -11.498 -1.193 -1.731 229 HG12 ILE 33 1HG1 ILE 33 -8.774 -2.015 -0.730 230 HG13 ILE 33 2HG1 ILE 33 -9.861 -2.918 -1.779 231 HG21 ILE 33 1HG2 ILE 33 -11.178 1.001 -1.065 232 HG22 ILE 33 2HG2 ILE 33 -9.765 0.606 -0.088 233 HG23 ILE 33 3HG2 ILE 33 -9.645 0.616 -1.848 234 HD11 ILE 33 3HD1 ILE 33 -8.120 -0.582 -2.429 235 HD12 ILE 33 1HD1 ILE 33 -8.238 -2.148 -3.229 236 HD13 ILE 33 2HD1 ILE 33 -9.528 -0.961 -3.421 237 H HIS 34 H HIS 34 -9.485 -3.459 0.431 238 HA HIS 34 HA HIS 34 -11.260 -5.539 -0.430 239 HB2 HIS 34 1HB HIS 34 -8.584 -6.024 0.849 240 HB3 HIS 34 2HB HIS 34 -9.389 -6.953 -0.412 241 HD1 HIS 34 HD1 HIS 34 -9.279 -5.989 -2.842 242 HD2 HIS 34 HD2 HIS 34 -7.028 -3.908 -0.038 243 HE1 HIS 34 HE1 HIS 34 -7.740 -4.515 -4.176 244 H THR 35 H THR 35 -9.338 -5.220 2.560 245 HA THR 35 HA THR 35 -10.766 -7.180 3.983 246 HB THR 35 HB THR 35 -8.508 -6.402 4.631 247 HG1 THR 35 HG1 THR 35 -10.151 -5.853 6.846 248 HG21 THR 35 3HG2 THR 35 -9.937 -3.952 5.668 249 HG22 THR 35 1HG2 THR 35 -8.890 -3.989 4.250 250 HG23 THR 35 2HG2 THR 35 -8.223 -4.322 5.848 251 H GLY 36 H GLY 36 -12.565 -7.121 5.217 252 HA2 GLY 36 1HA GLY 36 -13.677 -5.030 6.593 253 HA3 GLY 36 2HA GLY 36 -14.317 -4.866 4.965 254 H SER 37 H SER 37 -16.141 -5.910 4.524 255 HA SER 37 HA SER 37 -17.077 -7.920 6.439 256 HB2 SER 37 1HB SER 37 -19.308 -7.505 5.513 257 HB3 SER 37 2HB SER 37 -18.555 -5.990 6.009 258 HG SER 37 HG SER 37 -19.246 -6.887 3.490 259 H GLY 38 H GLY 38 -15.101 -8.792 4.696 260 HA2 GLY 38 1HA GLY 38 -15.616 -11.191 3.847 261 HA3 GLY 38 2HA GLY 38 -16.529 -10.315 2.627 262 HA PRO 39 HA PRO 39 -11.778 -9.443 2.005 263 HB2 PRO 39 1HB PRO 39 -10.160 -11.381 3.002 264 HB3 PRO 39 2HB PRO 39 -10.611 -9.939 3.921 265 HG2 PRO 39 1HG PRO 39 -11.750 -12.704 4.054 266 HG3 PRO 39 2HG PRO 39 -11.346 -11.596 5.378 267 HD2 PRO 39 1HD PRO 39 -13.880 -11.938 4.486 268 HD3 PRO 39 2HD PRO 39 -13.295 -10.390 5.131 269 H SER 40 H SER 40 -12.557 -12.914 2.295 270 HA SER 40 HA SER 40 -11.913 -13.200 -0.566 271 HB2 SER 40 1HB SER 40 -11.463 -15.312 1.554 272 HB3 SER 40 2HB SER 40 -10.996 -15.396 -0.145 273 HG SER 40 HG SER 40 -9.780 -13.336 0.487 274 H SER 41 H SER 41 -13.548 -13.890 -1.767 275 HA SER 41 HA SER 41 -15.515 -15.731 -0.658 276 HB2 SER 41 1HB SER 41 -17.397 -14.313 -1.536 277 HB3 SER 41 2HB SER 41 -16.552 -13.617 -0.154 278 HG SER 41 HG SER 41 -15.688 -12.959 -2.735 279 H GLY 42 H GLY 42 -16.409 -17.083 -2.160 280 HA2 GLY 42 1HA GLY 42 -17.024 -17.772 -4.336 281 HA3 GLY 42 2HA GLY 42 -15.992 -16.514 -5.000 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.497 -2.643 -27.918 2 HA2 GLY 1 1HA GLY 1 -0.290 -0.867 -29.546 3 HA3 GLY 1 2HA GLY 1 -1.236 -0.238 -28.206 4 H SER 2 H SER 2 -0.642 1.747 -27.682 5 HA SER 2 HA SER 2 2.215 2.448 -27.864 6 HB2 SER 2 1HB SER 2 0.496 3.625 -29.404 7 HB3 SER 2 2HB SER 2 -0.008 4.476 -27.944 8 HG SER 2 HG SER 2 2.186 4.859 -29.495 9 H SER 3 H SER 3 1.245 1.198 -25.585 10 HA SER 3 HA SER 3 0.250 2.695 -23.523 11 HB2 SER 3 1HB SER 3 1.548 1.221 -22.000 12 HB3 SER 3 2HB SER 3 0.730 0.321 -23.277 13 HG SER 3 HG SER 3 2.790 -0.449 -23.212 14 H GLY 4 H GLY 4 1.518 3.484 -21.557 15 HA2 GLY 4 1HA GLY 4 4.144 4.516 -21.912 16 HA3 GLY 4 2HA GLY 4 2.946 5.770 -22.200 17 H SER 5 H SER 5 2.794 3.118 -19.864 18 HA SER 5 HA SER 5 2.758 5.139 -17.718 19 HB2 SER 5 1HB SER 5 1.228 2.548 -17.981 20 HB3 SER 5 2HB SER 5 1.365 3.427 -16.459 21 HG SER 5 HG SER 5 -0.248 3.906 -18.570 22 H SER 6 H SER 6 4.541 5.080 -16.539 23 HA SER 6 HA SER 6 5.741 2.458 -15.933 24 HB2 SER 6 1HB SER 6 7.236 5.044 -16.437 25 HB3 SER 6 2HB SER 6 7.963 3.495 -16.009 26 HG SER 6 HG SER 6 7.841 2.932 -18.022 27 H GLY 7 H GLY 7 7.017 2.416 -13.930 28 HA2 GLY 7 1HA GLY 7 5.576 3.674 -11.798 29 HA3 GLY 7 2HA GLY 7 6.975 2.623 -11.633 30 H GLY 8 H GLY 8 6.178 5.288 -10.421 31 HA2 GLY 8 1HA GLY 8 8.466 6.910 -11.310 32 HA3 GLY 8 2HA GLY 8 7.092 7.503 -10.389 33 H GLU 9 H GLU 9 6.873 6.599 -8.150 34 HA GLU 9 HA GLU 9 9.101 5.430 -6.849 35 HB2 GLU 9 1HB GLU 9 9.615 7.489 -5.425 36 HB3 GLU 9 2HB GLU 9 10.260 7.465 -7.060 37 HG2 GLU 9 1HG GLU 9 8.433 8.899 -7.807 38 HG3 GLU 9 2HG GLU 9 7.781 8.921 -6.170 39 H LYS 10 H LYS 10 7.985 4.207 -5.483 40 HA LYS 10 HA LYS 10 6.276 5.470 -3.512 41 HB2 LYS 10 1HB LYS 10 5.201 3.239 -5.246 42 HB3 LYS 10 2HB LYS 10 4.360 4.030 -3.920 43 HG2 LYS 10 1HG LYS 10 4.510 6.166 -5.216 44 HG3 LYS 10 2HG LYS 10 5.125 5.220 -6.574 45 HD2 LYS 10 1HD LYS 10 3.109 4.166 -6.926 46 HD3 LYS 10 2HD LYS 10 2.584 4.381 -5.254 47 HE2 LYS 10 1HE LYS 10 1.252 5.912 -6.329 48 HE3 LYS 10 2HE LYS 10 2.628 6.921 -5.888 49 HZ1 LYS 10 3HZ LYS 10 3.055 7.315 -8.015 50 HZ2 LYS 10 1HZ LYS 10 1.595 6.556 -8.407 51 HZ3 LYS 10 2HZ LYS 10 3.035 5.670 -8.408 52 HA PRO 11 HA PRO 11 8.682 2.303 -1.412 53 HB2 PRO 11 1HB PRO 11 8.184 3.258 1.080 54 HB3 PRO 11 2HB PRO 11 9.399 3.962 0.007 55 HG2 PRO 11 1HG PRO 11 6.603 4.877 0.562 56 HG3 PRO 11 2HG PRO 11 8.087 5.837 0.420 57 HD2 PRO 11 1HD PRO 11 6.290 5.627 -1.595 58 HD3 PRO 11 2HD PRO 11 8.032 5.814 -1.884 59 H TYR 12 H TYR 12 5.441 3.379 -0.431 60 HA TYR 12 HA TYR 12 4.880 0.865 0.881 61 HB2 TYR 12 1HB TYR 12 2.968 3.126 0.274 62 HB3 TYR 12 2HB TYR 12 2.745 1.834 1.448 63 HD1 TYR 12 HD1 TYR 12 4.023 1.831 3.550 64 HD2 TYR 12 HD2 TYR 12 4.332 5.041 0.773 65 HE1 TYR 12 HE1 TYR 12 5.052 3.231 5.291 66 HE2 TYR 12 HE2 TYR 12 5.363 6.449 2.506 67 HH TYR 12 HH TYR 12 5.324 5.657 5.780 68 H LYS 13 H LYS 13 3.895 -0.849 0.020 69 HA LYS 13 HA LYS 13 2.455 -0.529 -2.522 70 HB2 LYS 13 1HB LYS 13 4.568 -1.397 -3.191 71 HB3 LYS 13 2HB LYS 13 4.591 -2.554 -1.866 72 HG2 LYS 13 1HG LYS 13 2.434 -3.471 -3.031 73 HG3 LYS 13 2HG LYS 13 3.101 -2.647 -4.442 74 HD2 LYS 13 1HD LYS 13 4.894 -4.059 -4.589 75 HD3 LYS 13 2HD LYS 13 4.918 -4.384 -2.854 76 HE2 LYS 13 1HE LYS 13 3.047 -5.858 -3.035 77 HE3 LYS 13 2HE LYS 13 2.770 -5.392 -4.712 78 HZ1 LYS 13 3HZ LYS 13 4.898 -7.094 -3.593 79 HZ2 LYS 13 1HZ LYS 13 5.145 -6.285 -5.059 80 HZ3 LYS 13 2HZ LYS 13 3.874 -7.390 -4.907 81 H CYS 14 H CYS 14 0.623 -1.727 -2.738 82 HA CYS 14 HA CYS 14 -0.365 -3.028 -0.343 83 HB2 CYS 14 1HB CYS 14 -1.898 -1.554 -1.461 84 HB3 CYS 14 2HB CYS 14 -1.653 -2.377 -2.997 85 H GLU 15 H GLU 15 0.088 -5.094 0.010 86 HA GLU 15 HA GLU 15 0.873 -6.876 -2.090 87 HB2 GLU 15 1HB GLU 15 0.227 -7.500 0.796 88 HB3 GLU 15 2HB GLU 15 1.084 -8.547 -0.326 89 HG2 GLU 15 1HG GLU 15 2.784 -6.647 -0.513 90 HG3 GLU 15 2HG GLU 15 2.010 -5.990 0.928 91 H THR 16 H THR 16 -2.078 -6.141 -0.428 92 HA THR 16 HA THR 16 -3.537 -8.478 -0.834 93 HB THR 16 HB THR 16 -4.454 -5.602 -0.756 94 HG1 THR 16 HG1 THR 16 -4.775 -7.673 1.169 95 HG21 THR 16 3HG2 THR 16 -6.718 -6.633 -0.275 96 HG22 THR 16 1HG2 THR 16 -6.063 -8.145 -0.902 97 HG23 THR 16 2HG2 THR 16 -6.167 -6.729 -1.948 98 H CYS 17 H CYS 17 -2.947 -5.753 -3.000 99 HA CYS 17 HA CYS 17 -4.072 -7.358 -5.197 100 HB2 CYS 17 1HB CYS 17 -5.014 -5.394 -6.211 101 HB3 CYS 17 2HB CYS 17 -5.573 -5.461 -4.542 102 H GLY 18 H GLY 18 -1.809 -4.816 -4.237 103 HA2 GLY 18 1HA GLY 18 0.507 -5.191 -5.079 104 HA3 GLY 18 2HA GLY 18 -0.229 -5.442 -6.655 105 H ALA 19 H ALA 19 -1.697 -3.012 -4.768 106 HA ALA 19 HA ALA 19 -1.032 -0.981 -6.642 107 HB1 ALA 19 3HB ALA 19 -2.503 0.377 -5.495 108 HB2 ALA 19 1HB ALA 19 -3.119 -1.231 -5.112 109 HB3 ALA 19 2HB ALA 19 -2.134 -0.360 -3.936 110 H ARG 20 H ARG 20 -0.395 1.277 -5.515 111 HA ARG 20 HA ARG 20 1.785 0.976 -3.628 112 HB2 ARG 20 1HB ARG 20 2.197 1.733 -6.508 113 HB3 ARG 20 2HB ARG 20 3.290 2.311 -5.256 114 HG2 ARG 20 1HG ARG 20 3.843 0.030 -4.648 115 HG3 ARG 20 2HG ARG 20 2.695 -0.582 -5.841 116 HD2 ARG 20 1HD ARG 20 4.620 -0.719 -7.059 117 HD3 ARG 20 2HD ARG 20 4.128 0.924 -7.469 118 HE ARG 20 HE ARG 20 5.868 0.727 -5.177 119 HH11 ARG 20 1HH1 ARG 20 5.665 1.079 -8.634 120 HH12 ARG 20 2HH1 ARG 20 7.228 1.812 -8.782 121 HH21 ARG 20 1HH2 ARG 20 7.927 1.692 -5.358 122 HH22 ARG 20 2HH2 ARG 20 8.514 2.159 -6.918 123 H PHE 21 H PHE 21 2.624 3.043 -2.883 124 HA PHE 21 HA PHE 21 1.249 5.457 -3.645 125 HB2 PHE 21 1HB PHE 21 0.911 4.536 -0.793 126 HB3 PHE 21 2HB PHE 21 0.134 5.900 -1.591 127 HD1 PHE 21 HD2 PHE 21 0.364 2.190 -1.724 128 HD2 PHE 21 HD1 PHE 21 -1.985 5.657 -2.480 129 HE1 PHE 21 HE2 PHE 21 -1.559 0.761 -2.282 130 HE2 PHE 21 HE1 PHE 21 -3.913 4.234 -3.039 131 HZ PHE 21 HZ PHE 21 -3.701 1.782 -2.942 132 H VAL 22 H VAL 22 2.081 7.355 -2.514 133 HA VAL 22 HA VAL 22 4.911 7.115 -2.058 134 HB VAL 22 HB VAL 22 4.326 9.054 -3.237 135 HG11 VAL 22 1HG1 VAL 22 2.670 10.716 -2.265 136 HG12 VAL 22 2HG1 VAL 22 1.999 9.212 -2.899 137 HG13 VAL 22 3HG1 VAL 22 2.187 9.430 -1.159 138 HG21 VAL 22 3HG2 VAL 22 5.137 10.851 -1.895 139 HG22 VAL 22 1HG2 VAL 22 4.621 10.051 -0.410 140 HG23 VAL 22 2HG2 VAL 22 5.953 9.384 -1.355 141 H GLN 23 H GLN 23 2.050 7.762 -0.110 142 HA GLN 23 HA GLN 23 3.738 7.589 2.299 143 HB2 GLN 23 1HB GLN 23 1.470 9.411 1.632 144 HB3 GLN 23 2HB GLN 23 1.676 8.906 3.304 145 HG2 GLN 23 1HG GLN 23 3.984 10.029 1.778 146 HG3 GLN 23 2HG GLN 23 2.770 11.099 2.478 147 HE21 GLN 23 1HE2 GLN 23 4.160 12.006 3.956 148 HE22 GLN 23 2HE2 GLN 23 4.781 11.140 5.315 149 H VAL 24 H VAL 24 3.002 6.349 4.005 150 HA VAL 24 HA VAL 24 1.489 4.083 3.420 151 HB VAL 24 HB VAL 24 3.113 4.651 5.431 152 HG11 VAL 24 1HG1 VAL 24 1.992 5.039 7.509 153 HG12 VAL 24 2HG1 VAL 24 1.502 6.306 6.382 154 HG13 VAL 24 3HG1 VAL 24 0.412 4.964 6.731 155 HG21 VAL 24 3HG2 VAL 24 1.244 2.801 6.537 156 HG22 VAL 24 1HG2 VAL 24 1.326 2.558 4.792 157 HG23 VAL 24 2HG2 VAL 24 2.795 2.478 5.763 158 H ALA 25 H ALA 25 0.547 7.126 4.947 159 HA ALA 25 HA ALA 25 -1.962 6.529 5.884 160 HB1 ALA 25 3HB ALA 25 -0.507 8.831 5.526 161 HB2 ALA 25 1HB ALA 25 -1.911 9.085 4.487 162 HB3 ALA 25 2HB ALA 25 -2.133 8.733 6.202 163 H HIS 26 H HIS 26 -0.914 6.826 2.582 164 HA HIS 26 HA HIS 26 -3.603 6.939 1.519 165 HB2 HIS 26 1HB HIS 26 -1.079 6.404 -0.042 166 HB3 HIS 26 2HB HIS 26 -2.595 7.081 -0.628 167 HD1 HIS 26 HD1 HIS 26 -0.481 8.820 -1.420 168 HD2 HIS 26 HD2 HIS 26 -1.925 8.989 2.472 169 HE1 HIS 26 HE1 HIS 26 0.193 11.082 -0.550 170 H LEU 27 H LEU 27 -0.921 4.598 1.492 171 HA LEU 27 HA LEU 27 -2.306 2.546 0.163 172 HB2 LEU 27 1HB LEU 27 0.016 2.333 0.239 173 HB3 LEU 27 2HB LEU 27 0.076 2.606 1.979 174 HG LEU 27 HG LEU 27 -0.867 0.385 2.365 175 HD11 LEU 27 1HD1 LEU 27 -1.279 -1.164 0.605 176 HD12 LEU 27 2HD1 LEU 27 -0.650 -0.047 -0.606 177 HD13 LEU 27 3HD1 LEU 27 -2.162 0.315 0.226 178 HD21 LEU 27 3HD2 LEU 27 1.556 0.484 0.576 179 HD22 LEU 27 1HD2 LEU 27 1.060 -0.940 1.491 180 HD23 LEU 27 2HD2 LEU 27 1.519 0.537 2.340 181 H ARG 28 H ARG 28 -1.643 2.940 3.647 182 HA ARG 28 HA ARG 28 -3.129 0.753 4.531 183 HB2 ARG 28 1HB ARG 28 -2.952 1.661 6.702 184 HB3 ARG 28 2HB ARG 28 -1.508 2.203 5.857 185 HG2 ARG 28 1HG ARG 28 -2.653 4.371 5.428 186 HG3 ARG 28 2HG ARG 28 -3.981 3.812 6.447 187 HD2 ARG 28 1HD ARG 28 -1.147 3.845 7.434 188 HD3 ARG 28 2HD ARG 28 -2.167 5.281 7.516 189 HE ARG 28 HE ARG 28 -2.355 2.921 9.151 190 HH11 ARG 28 1HH1 ARG 28 -4.054 5.689 7.897 191 HH12 ARG 28 2HH1 ARG 28 -5.228 5.709 9.171 192 HH21 ARG 28 1HH2 ARG 28 -3.895 2.936 10.833 193 HH22 ARG 28 2HH2 ARG 28 -5.137 4.143 10.841 194 H ALA 29 H ALA 29 -4.176 3.735 3.240 195 HA ALA 29 HA ALA 29 -6.835 3.535 4.430 196 HB1 ALA 29 3HB ALA 29 -5.641 5.609 2.595 197 HB2 ALA 29 1HB ALA 29 -7.267 5.672 3.277 198 HB3 ALA 29 2HB ALA 29 -5.860 5.745 4.339 199 H HIS 30 H HIS 30 -5.179 2.481 1.680 200 HA HIS 30 HA HIS 30 -7.612 2.334 0.054 201 HB2 HIS 30 1HB HIS 30 -5.973 3.060 -1.381 202 HB3 HIS 30 2HB HIS 30 -4.693 2.206 -0.525 203 HD1 HIS 30 HD1 HIS 30 -7.024 1.904 -3.363 204 HD2 HIS 30 HD2 HIS 30 -4.477 -0.571 -1.207 205 HE1 HIS 30 HE1 HIS 30 -6.759 -0.169 -4.761 206 H VAL 31 H VAL 31 -5.257 0.340 1.715 207 HA VAL 31 HA VAL 31 -5.989 -2.159 0.657 208 HB VAL 31 HB VAL 31 -5.173 -2.922 3.063 209 HG11 VAL 31 1HG1 VAL 31 -3.293 -1.672 1.064 210 HG12 VAL 31 2HG1 VAL 31 -2.912 -2.944 2.226 211 HG13 VAL 31 3HG1 VAL 31 -4.025 -3.267 0.896 212 HG21 VAL 31 3HG2 VAL 31 -5.235 -0.249 3.511 213 HG22 VAL 31 1HG2 VAL 31 -4.201 -1.380 4.383 214 HG23 VAL 31 2HG2 VAL 31 -3.556 -0.467 3.019 215 H LEU 32 H LEU 32 -7.586 -0.077 2.865 216 HA LEU 32 HA LEU 32 -9.090 -1.992 4.307 217 HB2 LEU 32 1HB LEU 32 -9.913 0.832 3.668 218 HB3 LEU 32 2HB LEU 32 -10.453 -0.162 5.019 219 HG LEU 32 HG LEU 32 -7.622 0.817 4.674 220 HD11 LEU 32 1HD1 LEU 32 -8.888 2.773 4.979 221 HD12 LEU 32 2HD1 LEU 32 -8.284 2.355 6.582 222 HD13 LEU 32 3HD1 LEU 32 -9.956 1.999 6.150 223 HD21 LEU 32 3HD2 LEU 32 -8.809 0.005 7.271 224 HD22 LEU 32 1HD2 LEU 32 -7.150 -0.135 6.689 225 HD23 LEU 32 2HD2 LEU 32 -8.379 -1.267 6.126 226 H ILE 33 H ILE 33 -9.321 -0.780 1.110 227 HA ILE 33 HA ILE 33 -12.051 -1.010 0.589 228 HB ILE 33 HB ILE 33 -11.497 -1.177 -1.739 229 HG12 ILE 33 1HG1 ILE 33 -8.774 -2.004 -0.740 230 HG13 ILE 33 2HG1 ILE 33 -9.861 -2.904 -1.791 231 HG21 ILE 33 1HG2 ILE 33 -9.780 0.617 -0.079 232 HG22 ILE 33 2HG2 ILE 33 -9.627 0.626 -1.835 233 HG23 ILE 33 3HG2 ILE 33 -11.174 1.014 -1.083 234 HD11 ILE 33 3HD1 ILE 33 -9.529 -0.942 -3.428 235 HD12 ILE 33 1HD1 ILE 33 -8.121 -0.565 -2.435 236 HD13 ILE 33 2HD1 ILE 33 -8.240 -2.130 -3.240 237 H HIS 34 H HIS 34 -9.482 -3.449 0.399 238 HA HIS 34 HA HIS 34 -11.265 -5.528 -0.455 239 HB2 HIS 34 1HB HIS 34 -8.579 -6.039 0.787 240 HB3 HIS 34 2HB HIS 34 -9.393 -6.927 -0.498 241 HD1 HIS 34 HD1 HIS 34 -9.279 -5.899 -2.899 242 HD2 HIS 34 HD2 HIS 34 -7.023 -3.897 -0.042 243 HE1 HIS 34 HE1 HIS 34 -7.739 -4.391 -4.194 244 H THR 35 H THR 35 -9.351 -5.120 2.531 245 HA THR 35 HA THR 35 -10.787 -7.115 3.952 246 HB THR 35 HB THR 35 -8.465 -6.403 4.519 247 HG1 THR 35 HG1 THR 35 -9.642 -7.532 6.080 248 HG21 THR 35 3HG2 THR 35 -8.748 -3.988 4.290 249 HG22 THR 35 1HG2 THR 35 -8.160 -4.396 5.901 250 HG23 THR 35 2HG2 THR 35 -9.856 -3.977 5.662 251 H GLY 36 H GLY 36 -12.565 -6.995 5.204 252 HA2 GLY 36 1HA GLY 36 -13.675 -5.270 6.807 253 HA3 GLY 36 2HA GLY 36 -13.945 -4.405 5.302 254 H SER 37 H SER 37 -14.330 -7.749 6.487 255 HA SER 37 HA SER 37 -17.161 -7.670 5.906 256 HB2 SER 37 1HB SER 37 -15.411 -9.659 4.442 257 HB3 SER 37 2HB SER 37 -17.163 -9.505 4.320 258 HG SER 37 HG SER 37 -15.235 -8.152 3.003 259 H GLY 38 H GLY 38 -18.307 -9.113 7.113 260 HA2 GLY 38 1HA GLY 38 -17.386 -10.133 9.450 261 HA3 GLY 38 2HA GLY 38 -18.730 -10.850 8.576 262 HA PRO 39 HA PRO 39 -16.374 -14.544 8.257 263 HB2 PRO 39 1HB PRO 39 -17.639 -15.690 6.146 264 HB3 PRO 39 2HB PRO 39 -18.357 -15.590 7.758 265 HG2 PRO 39 1HG PRO 39 -18.825 -13.853 5.366 266 HG3 PRO 39 2HG PRO 39 -20.002 -14.516 6.515 267 HD2 PRO 39 1HD PRO 39 -19.118 -11.960 6.646 268 HD3 PRO 39 2HD PRO 39 -19.569 -12.890 8.090 269 H SER 40 H SER 40 -15.489 -15.965 6.280 270 HA SER 40 HA SER 40 -13.735 -16.098 4.822 271 HB2 SER 40 1HB SER 40 -15.792 -15.431 3.402 272 HB3 SER 40 2HB SER 40 -15.034 -13.841 3.312 273 HG SER 40 HG SER 40 -14.553 -15.628 1.657 274 H SER 41 H SER 41 -13.109 -14.536 7.018 275 HA SER 41 HA SER 41 -12.009 -12.013 6.291 276 HB2 SER 41 1HB SER 41 -11.005 -12.017 8.501 277 HB3 SER 41 2HB SER 41 -12.654 -12.629 8.619 278 HG SER 41 HG SER 41 -10.218 -14.018 8.824 279 H GLY 42 H GLY 42 -10.632 -15.253 6.735 280 HA2 GLY 42 1HA GLY 42 -8.893 -15.883 5.094 281 HA3 GLY 42 2HA GLY 42 -8.203 -14.289 5.354 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.181 -4.385 -28.462 2 HA2 GLY 1 1HA GLY 1 2.322 -5.181 -28.735 3 HA3 GLY 1 2HA GLY 1 2.750 -3.618 -29.416 4 H SER 2 H SER 2 4.784 -3.985 -28.261 5 HA SER 2 HA SER 2 5.209 -4.320 -25.604 6 HB2 SER 2 1HB SER 2 7.047 -4.051 -27.179 7 HB3 SER 2 2HB SER 2 6.630 -2.354 -27.417 8 HG SER 2 HG SER 2 7.010 -2.158 -25.074 9 H SER 3 H SER 3 4.351 -3.406 -23.872 10 HA SER 3 HA SER 3 3.802 -0.512 -23.930 11 HB2 SER 3 1HB SER 3 2.156 -2.642 -22.543 12 HB3 SER 3 2HB SER 3 1.845 -0.906 -22.496 13 HG SER 3 HG SER 3 1.157 -2.714 -24.379 14 H GLY 4 H GLY 4 3.979 0.596 -21.906 15 HA2 GLY 4 1HA GLY 4 5.661 -0.841 -19.945 16 HA3 GLY 4 2HA GLY 4 5.959 0.826 -20.412 17 H SER 5 H SER 5 5.281 -0.537 -17.797 18 HA SER 5 HA SER 5 2.686 0.430 -17.067 19 HB2 SER 5 1HB SER 5 4.966 -0.464 -15.286 20 HB3 SER 5 2HB SER 5 3.281 -0.272 -14.802 21 HG SER 5 HG SER 5 2.751 -2.062 -15.859 22 H SER 6 H SER 6 2.557 1.835 -14.990 23 HA SER 6 HA SER 6 3.763 4.366 -15.652 24 HB2 SER 6 1HB SER 6 1.920 3.580 -13.381 25 HB3 SER 6 2HB SER 6 2.401 5.232 -13.766 26 HG SER 6 HG SER 6 0.531 4.996 -14.833 27 H GLY 7 H GLY 7 5.987 3.913 -15.281 28 HA2 GLY 7 1HA GLY 7 6.984 3.012 -12.780 29 HA3 GLY 7 2HA GLY 7 7.919 3.806 -14.039 30 H GLY 8 H GLY 8 7.439 4.051 -10.942 31 HA2 GLY 8 1HA GLY 8 7.964 6.884 -10.887 32 HA3 GLY 8 2HA GLY 8 6.404 6.455 -10.200 33 H GLU 9 H GLU 9 7.270 7.368 -8.215 34 HA GLU 9 HA GLU 9 9.071 5.498 -6.820 35 HB2 GLU 9 1HB GLU 9 9.547 7.483 -5.307 36 HB3 GLU 9 2HB GLU 9 10.201 7.569 -6.936 37 HG2 GLU 9 1HG GLU 9 8.459 9.066 -7.621 38 HG3 GLU 9 2HG GLU 9 7.637 8.883 -6.072 39 H LYS 10 H LYS 10 8.106 4.309 -5.329 40 HA LYS 10 HA LYS 10 6.240 5.460 -3.465 41 HB2 LYS 10 1HB LYS 10 5.299 3.242 -5.293 42 HB3 LYS 10 2HB LYS 10 4.399 3.919 -3.942 43 HG2 LYS 10 1HG LYS 10 4.424 6.116 -5.112 44 HG3 LYS 10 2HG LYS 10 5.158 5.309 -6.500 45 HD2 LYS 10 1HD LYS 10 3.238 4.180 -7.033 46 HD3 LYS 10 2HD LYS 10 2.659 4.161 -5.365 47 HE2 LYS 10 1HE LYS 10 2.094 6.513 -5.505 48 HE3 LYS 10 2HE LYS 10 2.764 6.604 -7.133 49 HZ1 LYS 10 3HZ LYS 10 1.043 4.728 -7.587 50 HZ2 LYS 10 1HZ LYS 10 0.546 6.345 -7.565 51 HZ3 LYS 10 2HZ LYS 10 0.268 5.357 -6.221 52 HA PRO 11 HA PRO 11 8.713 2.331 -1.366 53 HB2 PRO 11 1HB PRO 11 8.211 3.290 1.124 54 HB3 PRO 11 2HB PRO 11 9.420 4.000 0.046 55 HG2 PRO 11 1HG PRO 11 6.618 4.895 0.602 56 HG3 PRO 11 2HG PRO 11 8.094 5.866 0.455 57 HD2 PRO 11 1HD PRO 11 6.296 5.635 -1.556 58 HD3 PRO 11 2HD PRO 11 8.036 5.835 -1.849 59 H TYR 12 H TYR 12 5.438 3.361 -0.489 60 HA TYR 12 HA TYR 12 4.905 0.848 0.861 61 HB2 TYR 12 1HB TYR 12 2.983 3.104 0.271 62 HB3 TYR 12 2HB TYR 12 2.766 1.803 1.437 63 HD1 TYR 12 HD1 TYR 12 4.057 1.786 3.533 64 HD2 TYR 12 HD2 TYR 12 4.328 5.025 0.788 65 HE1 TYR 12 HE1 TYR 12 5.083 3.176 5.284 66 HE2 TYR 12 HE2 TYR 12 5.355 6.424 2.530 67 HH TYR 12 HH TYR 12 6.261 6.435 4.586 68 H LYS 13 H LYS 13 3.879 -0.855 0.014 69 HA LYS 13 HA LYS 13 2.449 -0.530 -2.531 70 HB2 LYS 13 1HB LYS 13 4.560 -1.389 -3.214 71 HB3 LYS 13 2HB LYS 13 4.594 -2.551 -1.894 72 HG2 LYS 13 1HG LYS 13 2.429 -3.463 -3.057 73 HG3 LYS 13 2HG LYS 13 3.103 -2.642 -4.467 74 HD2 LYS 13 1HD LYS 13 4.887 -4.062 -4.611 75 HD3 LYS 13 2HD LYS 13 4.914 -4.379 -2.874 76 HE2 LYS 13 1HE LYS 13 3.032 -5.845 -3.048 77 HE3 LYS 13 2HE LYS 13 2.768 -5.394 -4.731 78 HZ1 LYS 13 3HZ LYS 13 4.881 -6.414 -5.301 79 HZ2 LYS 13 1HZ LYS 13 3.866 -7.538 -4.545 80 HZ3 LYS 13 2HZ LYS 13 5.143 -6.839 -3.684 81 H CYS 14 H CYS 14 0.614 -1.721 -2.740 82 HA CYS 14 HA CYS 14 -0.356 -3.046 -0.351 83 HB2 CYS 14 1HB CYS 14 -1.887 -1.552 -1.460 84 HB3 CYS 14 2HB CYS 14 -1.671 -2.392 -2.992 85 H GLU 15 H GLU 15 0.070 -5.119 -0.017 86 HA GLU 15 HA GLU 15 0.853 -6.881 -2.139 87 HB2 GLU 15 1HB GLU 15 0.221 -7.530 0.745 88 HB3 GLU 15 2HB GLU 15 1.070 -8.569 -0.392 89 HG2 GLU 15 1HG GLU 15 2.786 -6.701 -0.570 90 HG3 GLU 15 2HG GLU 15 2.009 -6.009 0.853 91 H THR 16 H THR 16 -2.090 -6.155 -0.458 92 HA THR 16 HA THR 16 -3.556 -8.484 -0.871 93 HB THR 16 HB THR 16 -4.478 -5.609 -0.800 94 HG1 THR 16 HG1 THR 16 -4.804 -6.010 1.323 95 HG21 THR 16 3HG2 THR 16 -6.068 -8.165 -0.894 96 HG22 THR 16 1HG2 THR 16 -6.201 -6.762 -1.953 97 HG23 THR 16 2HG2 THR 16 -6.728 -6.652 -0.273 98 H CYS 17 H CYS 17 -2.944 -5.765 -3.035 99 HA CYS 17 HA CYS 17 -4.076 -7.361 -5.234 100 HB2 CYS 17 1HB CYS 17 -5.069 -5.430 -6.224 101 HB3 CYS 17 2HB CYS 17 -5.566 -5.444 -4.535 102 H GLY 18 H GLY 18 -1.825 -4.813 -4.262 103 HA2 GLY 18 1HA GLY 18 0.491 -5.175 -5.112 104 HA3 GLY 18 2HA GLY 18 -0.247 -5.413 -6.689 105 H ALA 19 H ALA 19 -1.710 -3.005 -4.766 106 HA ALA 19 HA ALA 19 -1.066 -0.954 -6.626 107 HB1 ALA 19 3HB ALA 19 -2.970 -1.329 -4.625 108 HB2 ALA 19 1HB ALA 19 -2.030 0.073 -4.111 109 HB3 ALA 19 2HB ALA 19 -2.808 0.064 -5.694 110 H ARG 20 H ARG 20 -0.407 1.291 -5.509 111 HA ARG 20 HA ARG 20 1.782 0.981 -3.633 112 HB2 ARG 20 1HB ARG 20 2.189 1.819 -6.498 113 HB3 ARG 20 2HB ARG 20 3.318 2.264 -5.226 114 HG2 ARG 20 1HG ARG 20 3.860 -0.013 -4.801 115 HG3 ARG 20 2HG ARG 20 2.554 -0.577 -5.845 116 HD2 ARG 20 1HD ARG 20 4.897 1.059 -6.800 117 HD3 ARG 20 2HD ARG 20 4.830 -0.701 -6.868 118 HE ARG 20 HE ARG 20 3.401 1.168 -8.553 119 HH11 ARG 20 1HH1 ARG 20 3.684 -2.109 -7.412 120 HH12 ARG 20 2HH1 ARG 20 2.838 -2.791 -8.763 121 HH21 ARG 20 1HH2 ARG 20 2.286 0.283 -10.336 122 HH22 ARG 20 2HH2 ARG 20 2.044 -1.429 -10.425 123 H PHE 21 H PHE 21 2.627 3.042 -2.883 124 HA PHE 21 HA PHE 21 1.259 5.464 -3.634 125 HB2 PHE 21 1HB PHE 21 0.919 4.535 -0.785 126 HB3 PHE 21 2HB PHE 21 0.146 5.903 -1.579 127 HD1 PHE 21 HD2 PHE 21 0.366 2.193 -1.722 128 HD2 PHE 21 HD1 PHE 21 -1.975 5.669 -2.467 129 HE1 PHE 21 HE2 PHE 21 -1.561 0.770 -2.283 130 HE2 PHE 21 HE1 PHE 21 -3.907 4.252 -3.028 131 HZ PHE 21 HZ PHE 21 -3.701 1.799 -2.937 132 H VAL 22 H VAL 22 2.100 7.355 -2.499 133 HA VAL 22 HA VAL 22 4.930 7.097 -2.039 134 HB VAL 22 HB VAL 22 4.367 9.038 -3.221 135 HG11 VAL 22 1HG1 VAL 22 2.711 10.711 -2.253 136 HG12 VAL 22 2HG1 VAL 22 2.041 9.217 -2.912 137 HG13 VAL 22 3HG1 VAL 22 2.207 9.417 -1.167 138 HG21 VAL 22 3HG2 VAL 22 5.109 10.864 -1.828 139 HG22 VAL 22 1HG2 VAL 22 4.684 9.968 -0.370 140 HG23 VAL 22 2HG2 VAL 22 6.002 9.406 -1.399 141 H GLN 23 H GLN 23 2.066 7.761 -0.100 142 HA GLN 23 HA GLN 23 3.747 7.585 2.314 143 HB2 GLN 23 1HB GLN 23 1.491 9.418 1.637 144 HB3 GLN 23 2HB GLN 23 1.689 8.915 3.310 145 HG2 GLN 23 1HG GLN 23 4.004 10.027 1.787 146 HG3 GLN 23 2HG GLN 23 2.797 11.100 2.493 147 HE21 GLN 23 1HE2 GLN 23 4.171 11.997 3.983 148 HE22 GLN 23 2HE2 GLN 23 4.799 11.122 5.334 149 H VAL 24 H VAL 24 3.031 6.314 3.991 150 HA VAL 24 HA VAL 24 1.488 4.073 3.408 151 HB VAL 24 HB VAL 24 3.128 4.615 5.413 152 HG11 VAL 24 1HG1 VAL 24 2.029 5.004 7.499 153 HG12 VAL 24 2HG1 VAL 24 1.535 6.278 6.382 154 HG13 VAL 24 3HG1 VAL 24 0.441 4.940 6.735 155 HG21 VAL 24 3HG2 VAL 24 1.366 2.766 6.584 156 HG22 VAL 24 1HG2 VAL 24 1.207 2.567 4.839 157 HG23 VAL 24 2HG2 VAL 24 2.790 2.426 5.602 158 H ALA 25 H ALA 25 0.580 7.116 4.956 159 HA ALA 25 HA ALA 25 -1.928 6.533 5.907 160 HB1 ALA 25 3HB ALA 25 -0.451 8.835 5.506 161 HB2 ALA 25 1HB ALA 25 -1.909 9.096 4.549 162 HB3 ALA 25 2HB ALA 25 -2.037 8.728 6.269 163 H HIS 26 H HIS 26 -0.891 6.802 2.605 164 HA HIS 26 HA HIS 26 -3.590 6.955 1.559 165 HB2 HIS 26 1HB HIS 26 -1.069 6.435 -0.014 166 HB3 HIS 26 2HB HIS 26 -2.592 7.099 -0.598 167 HD1 HIS 26 HD1 HIS 26 -0.545 8.881 -1.407 168 HD2 HIS 26 HD2 HIS 26 -1.885 8.986 2.524 169 HE1 HIS 26 HE1 HIS 26 0.122 11.141 -0.530 170 H LEU 27 H LEU 27 -0.915 4.606 1.501 171 HA LEU 27 HA LEU 27 -2.302 2.570 0.156 172 HB2 LEU 27 1HB LEU 27 0.016 2.340 0.240 173 HB3 LEU 27 2HB LEU 27 0.071 2.611 1.981 174 HG LEU 27 HG LEU 27 -0.886 0.393 2.361 175 HD11 LEU 27 1HD1 LEU 27 -0.647 -0.043 -0.608 176 HD12 LEU 27 2HD1 LEU 27 -2.164 0.333 0.209 177 HD13 LEU 27 3HD1 LEU 27 -1.297 -1.152 0.600 178 HD21 LEU 27 3HD2 LEU 27 1.546 0.472 0.582 179 HD22 LEU 27 1HD2 LEU 27 1.041 -0.937 1.514 180 HD23 LEU 27 2HD2 LEU 27 1.505 0.549 2.344 181 H ARG 28 H ARG 28 -1.689 2.975 3.645 182 HA ARG 28 HA ARG 28 -3.161 0.774 4.520 183 HB2 ARG 28 1HB ARG 28 -3.007 1.680 6.684 184 HB3 ARG 28 2HB ARG 28 -1.577 2.279 5.852 185 HG2 ARG 28 1HG ARG 28 -2.728 4.416 5.457 186 HG3 ARG 28 2HG ARG 28 -4.120 3.810 6.355 187 HD2 ARG 28 1HD ARG 28 -2.251 3.343 8.181 188 HD3 ARG 28 2HD ARG 28 -1.445 4.657 7.326 189 HE ARG 28 HE ARG 28 -2.959 6.119 8.224 190 HH11 ARG 28 1HH1 ARG 28 -4.169 2.874 8.570 191 HH12 ARG 28 2HH1 ARG 28 -5.510 3.340 9.563 192 HH21 ARG 28 1HH2 ARG 28 -4.719 6.746 9.531 193 HH22 ARG 28 2HH2 ARG 28 -5.822 5.543 10.109 194 H ALA 29 H ALA 29 -4.213 3.795 3.272 195 HA ALA 29 HA ALA 29 -6.888 3.551 4.396 196 HB1 ALA 29 3HB ALA 29 -6.060 5.772 4.345 197 HB2 ALA 29 1HB ALA 29 -5.591 5.631 2.651 198 HB3 ALA 29 2HB ALA 29 -7.298 5.666 3.094 199 H HIS 30 H HIS 30 -5.193 2.476 1.685 200 HA HIS 30 HA HIS 30 -7.599 2.310 0.020 201 HB2 HIS 30 1HB HIS 30 -5.918 3.033 -1.378 202 HB3 HIS 30 2HB HIS 30 -4.668 2.146 -0.510 203 HD1 HIS 30 HD1 HIS 30 -6.992 1.899 -3.366 204 HD2 HIS 30 HD2 HIS 30 -4.480 -0.620 -1.219 205 HE1 HIS 30 HE1 HIS 30 -6.748 -0.169 -4.776 206 H VAL 31 H VAL 31 -5.257 0.329 1.722 207 HA VAL 31 HA VAL 31 -5.998 -2.178 0.686 208 HB VAL 31 HB VAL 31 -5.181 -2.918 3.101 209 HG11 VAL 31 1HG1 VAL 31 -2.963 -3.045 2.247 210 HG12 VAL 31 2HG1 VAL 31 -4.059 -3.230 0.875 211 HG13 VAL 31 3HG1 VAL 31 -3.241 -1.691 1.152 212 HG21 VAL 31 3HG2 VAL 31 -3.558 -0.465 3.013 213 HG22 VAL 31 1HG2 VAL 31 -5.232 -0.247 3.525 214 HG23 VAL 31 2HG2 VAL 31 -4.182 -1.366 4.395 215 H LEU 32 H LEU 32 -7.597 -0.063 2.853 216 HA LEU 32 HA LEU 32 -9.103 -1.963 4.322 217 HB2 LEU 32 1HB LEU 32 -9.908 0.862 3.667 218 HB3 LEU 32 2HB LEU 32 -10.454 -0.121 5.024 219 HG LEU 32 HG LEU 32 -7.625 0.863 4.666 220 HD11 LEU 32 1HD1 LEU 32 -8.945 2.795 5.002 221 HD12 LEU 32 2HD1 LEU 32 -8.256 2.388 6.573 222 HD13 LEU 32 3HD1 LEU 32 -9.938 1.994 6.220 223 HD21 LEU 32 3HD2 LEU 32 -9.010 -0.314 7.072 224 HD22 LEU 32 1HD2 LEU 32 -7.317 0.162 6.947 225 HD23 LEU 32 2HD2 LEU 32 -7.921 -1.201 6.005 226 H ILE 33 H ILE 33 -9.289 -0.861 1.104 227 HA ILE 33 HA ILE 33 -12.048 -1.077 0.608 228 HB ILE 33 HB ILE 33 -11.511 -1.187 -1.722 229 HG12 ILE 33 1HG1 ILE 33 -8.771 -2.013 -0.767 230 HG13 ILE 33 2HG1 ILE 33 -9.863 -2.900 -1.824 231 HG21 ILE 33 1HG2 ILE 33 -9.669 0.636 -1.817 232 HG22 ILE 33 2HG2 ILE 33 -11.198 0.993 -1.015 233 HG23 ILE 33 3HG2 ILE 33 -9.774 0.588 -0.057 234 HD11 ILE 33 3HD1 ILE 33 -9.559 -0.881 -3.414 235 HD12 ILE 33 1HD1 ILE 33 -8.126 -0.556 -2.439 236 HD13 ILE 33 2HD1 ILE 33 -8.284 -2.093 -3.290 237 H HIS 34 H HIS 34 -9.432 -3.460 0.385 238 HA HIS 34 HA HIS 34 -11.178 -5.564 -0.488 239 HB2 HIS 34 1HB HIS 34 -8.468 -6.025 0.721 240 HB3 HIS 34 2HB HIS 34 -9.278 -6.928 -0.556 241 HD1 HIS 34 HD1 HIS 34 -9.215 -5.897 -2.955 242 HD2 HIS 34 HD2 HIS 34 -6.980 -3.839 -0.121 243 HE1 HIS 34 HE1 HIS 34 -7.729 -4.348 -4.266 244 H THR 35 H THR 35 -9.171 -5.301 2.450 245 HA THR 35 HA THR 35 -10.383 -7.322 3.896 246 HB THR 35 HB THR 35 -8.298 -6.254 4.614 247 HG1 THR 35 HG1 THR 35 -10.493 -6.535 6.318 248 HG21 THR 35 3HG2 THR 35 -8.354 -4.090 5.781 249 HG22 THR 35 1HG2 THR 35 -10.061 -3.921 5.375 250 HG23 THR 35 2HG2 THR 35 -8.847 -3.934 4.095 251 H GLY 36 H GLY 36 -11.354 -3.959 3.522 252 HA2 GLY 36 1HA GLY 36 -13.536 -4.290 5.431 253 HA3 GLY 36 2HA GLY 36 -13.088 -2.802 4.609 254 H SER 37 H SER 37 -15.284 -2.429 4.087 255 HA SER 37 HA SER 37 -17.271 -2.727 2.959 256 HB2 SER 37 1HB SER 37 -15.152 -3.124 0.840 257 HB3 SER 37 2HB SER 37 -16.864 -2.910 0.471 258 HG SER 37 HG SER 37 -16.527 -0.857 0.656 259 H GLY 38 H GLY 38 -16.700 -5.056 4.340 260 HA2 GLY 38 1HA GLY 38 -18.360 -6.945 3.744 261 HA3 GLY 38 2HA GLY 38 -17.238 -7.219 2.420 262 HA PRO 39 HA PRO 39 -15.904 -9.192 6.614 263 HB2 PRO 39 1HB PRO 39 -17.206 -11.573 6.533 264 HB3 PRO 39 2HB PRO 39 -17.871 -10.141 7.328 265 HG2 PRO 39 1HG PRO 39 -18.474 -11.252 4.614 266 HG3 PRO 39 2HG PRO 39 -19.590 -10.609 5.833 267 HD2 PRO 39 1HD PRO 39 -18.779 -9.162 3.693 268 HD3 PRO 39 2HD PRO 39 -19.152 -8.419 5.262 269 H SER 40 H SER 40 -14.284 -10.750 6.718 270 HA SER 40 HA SER 40 -13.476 -11.857 4.116 271 HB2 SER 40 1HB SER 40 -11.884 -11.098 6.567 272 HB3 SER 40 2HB SER 40 -11.200 -12.054 5.252 273 HG SER 40 HG SER 40 -10.951 -10.275 4.182 274 H SER 41 H SER 41 -14.840 -13.698 4.300 275 HA SER 41 HA SER 41 -15.139 -15.469 6.333 276 HB2 SER 41 1HB SER 41 -15.495 -17.219 4.650 277 HB3 SER 41 2HB SER 41 -16.240 -15.704 4.140 278 HG SER 41 HG SER 41 -15.110 -15.978 2.394 279 H GLY 42 H GLY 42 -12.468 -15.501 3.977 280 HA2 GLY 42 1HA GLY 42 -10.920 -17.083 5.934 281 HA3 GLY 42 2HA GLY 42 -10.871 -17.436 4.213 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.442 -5.705 -29.622 2 HA2 GLY 1 1HA GLY 1 3.617 -3.727 -29.923 3 HA3 GLY 1 2HA GLY 1 1.936 -3.254 -29.726 4 H SER 2 H SER 2 4.741 -3.365 -28.140 5 HA SER 2 HA SER 2 3.407 -3.442 -25.545 6 HB2 SER 2 1HB SER 2 5.206 -4.852 -24.576 7 HB3 SER 2 2HB SER 2 4.265 -5.710 -25.796 8 HG SER 2 HG SER 2 6.173 -6.104 -26.601 9 H SER 3 H SER 3 3.925 -1.663 -24.478 10 HA SER 3 HA SER 3 6.637 -0.704 -24.359 11 HB2 SER 3 1HB SER 3 5.992 0.349 -26.442 12 HB3 SER 3 2HB SER 3 4.503 0.956 -25.718 13 HG SER 3 HG SER 3 7.160 1.701 -25.060 14 H GLY 4 H GLY 4 6.992 0.738 -22.655 15 HA2 GLY 4 1HA GLY 4 4.848 1.900 -21.162 16 HA3 GLY 4 2HA GLY 4 5.474 0.457 -20.378 17 H SER 5 H SER 5 5.663 3.691 -20.325 18 HA SER 5 HA SER 5 8.210 3.642 -18.940 19 HB2 SER 5 1HB SER 5 9.287 5.323 -20.240 20 HB3 SER 5 2HB SER 5 8.696 4.124 -21.390 21 HG SER 5 HG SER 5 7.969 5.945 -22.260 22 H SER 6 H SER 6 7.883 4.676 -17.098 23 HA SER 6 HA SER 6 6.884 7.301 -16.911 24 HB2 SER 6 1HB SER 6 4.925 5.086 -16.515 25 HB3 SER 6 2HB SER 6 4.838 6.469 -15.425 26 HG SER 6 HG SER 6 4.069 7.641 -16.993 27 H GLY 7 H GLY 7 6.644 8.014 -14.628 28 HA2 GLY 7 1HA GLY 7 8.741 6.856 -13.042 29 HA3 GLY 7 2HA GLY 7 7.756 8.247 -12.615 30 H GLY 8 H GLY 8 8.623 5.719 -11.161 31 HA2 GLY 8 1HA GLY 8 5.975 5.169 -10.028 32 HA3 GLY 8 2HA GLY 8 6.940 3.805 -10.572 33 H GLU 9 H GLU 9 7.458 6.757 -8.633 34 HA GLU 9 HA GLU 9 9.198 5.237 -6.852 35 HB2 GLU 9 1HB GLU 9 9.578 7.521 -5.809 36 HB3 GLU 9 2HB GLU 9 10.133 7.320 -7.465 37 HG2 GLU 9 1HG GLU 9 8.398 8.615 -8.331 38 HG3 GLU 9 2HG GLU 9 7.441 8.481 -6.857 39 H LYS 10 H LYS 10 7.954 4.020 -5.520 40 HA LYS 10 HA LYS 10 6.401 5.436 -3.521 41 HB2 LYS 10 1HB LYS 10 5.146 3.191 -5.108 42 HB3 LYS 10 2HB LYS 10 4.403 4.088 -3.790 43 HG2 LYS 10 1HG LYS 10 4.504 6.132 -5.157 44 HG3 LYS 10 2HG LYS 10 5.178 5.185 -6.486 45 HD2 LYS 10 1HD LYS 10 3.193 4.118 -6.912 46 HD3 LYS 10 2HD LYS 10 2.624 4.281 -5.249 47 HE2 LYS 10 1HE LYS 10 1.871 6.430 -5.576 48 HE3 LYS 10 2HE LYS 10 2.991 6.735 -6.902 49 HZ1 LYS 10 3HZ LYS 10 1.631 5.064 -8.190 50 HZ2 LYS 10 1HZ LYS 10 0.882 6.548 -7.874 51 HZ3 LYS 10 2HZ LYS 10 0.472 5.183 -6.964 52 HA PRO 11 HA PRO 11 8.704 2.271 -1.338 53 HB2 PRO 11 1HB PRO 11 8.169 3.250 1.137 54 HB3 PRO 11 2HB PRO 11 9.399 3.945 0.074 55 HG2 PRO 11 1HG PRO 11 6.595 4.862 0.580 56 HG3 PRO 11 2HG PRO 11 8.080 5.822 0.450 57 HD2 PRO 11 1HD PRO 11 6.312 5.590 -1.588 58 HD3 PRO 11 2HD PRO 11 8.057 5.776 -1.854 59 H TYR 12 H TYR 12 5.446 3.352 -0.420 60 HA TYR 12 HA TYR 12 4.873 0.832 0.889 61 HB2 TYR 12 1HB TYR 12 2.953 3.089 0.306 62 HB3 TYR 12 2HB TYR 12 2.770 1.811 1.501 63 HD1 TYR 12 HD1 TYR 12 4.041 1.868 3.590 64 HD2 TYR 12 HD2 TYR 12 4.360 5.005 0.733 65 HE1 TYR 12 HE1 TYR 12 5.094 3.300 5.289 66 HE2 TYR 12 HE2 TYR 12 5.414 6.446 2.425 67 HH TYR 12 HH TYR 12 5.811 6.684 4.651 68 H LYS 13 H LYS 13 3.887 -0.866 0.003 69 HA LYS 13 HA LYS 13 2.421 -0.505 -2.518 70 HB2 LYS 13 1HB LYS 13 4.530 -1.336 -3.240 71 HB3 LYS 13 2HB LYS 13 4.589 -2.518 -1.940 72 HG2 LYS 13 1HG LYS 13 2.420 -3.434 -3.089 73 HG3 LYS 13 2HG LYS 13 3.064 -2.581 -4.494 74 HD2 LYS 13 1HD LYS 13 4.863 -3.977 -4.689 75 HD3 LYS 13 2HD LYS 13 4.917 -4.326 -2.959 76 HE2 LYS 13 1HE LYS 13 2.788 -5.633 -3.271 77 HE3 LYS 13 2HE LYS 13 3.011 -5.439 -5.009 78 HZ1 LYS 13 3HZ LYS 13 4.940 -6.745 -3.166 79 HZ2 LYS 13 1HZ LYS 13 5.121 -6.585 -4.840 80 HZ3 LYS 13 2HZ LYS 13 3.885 -7.553 -4.212 81 H CYS 14 H CYS 14 0.594 -1.708 -2.730 82 HA CYS 14 HA CYS 14 -0.341 -3.081 -0.354 83 HB2 CYS 14 1HB CYS 14 -1.868 -1.553 -1.467 84 HB3 CYS 14 2HB CYS 14 -1.709 -2.446 -2.976 85 H GLU 15 H GLU 15 0.103 -5.157 -0.061 86 HA GLU 15 HA GLU 15 0.883 -6.875 -2.218 87 HB2 GLU 15 1HB GLU 15 0.263 -7.583 0.655 88 HB3 GLU 15 2HB GLU 15 1.116 -8.594 -0.503 89 HG2 GLU 15 1HG GLU 15 2.815 -6.702 -0.650 90 HG3 GLU 15 2HG GLU 15 2.041 -6.057 0.797 91 H THR 16 H THR 16 -2.056 -6.212 -0.496 92 HA THR 16 HA THR 16 -3.511 -8.536 -0.951 93 HB THR 16 HB THR 16 -4.452 -5.668 -0.835 94 HG1 THR 16 HG1 THR 16 -4.245 -6.013 1.234 95 HG21 THR 16 3HG2 THR 16 -6.027 -8.234 -0.945 96 HG22 THR 16 1HG2 THR 16 -6.166 -6.829 -2.001 97 HG23 THR 16 2HG2 THR 16 -6.693 -6.725 -0.321 98 H CYS 17 H CYS 17 -2.968 -5.755 -3.063 99 HA CYS 17 HA CYS 17 -4.090 -7.327 -5.286 100 HB2 CYS 17 1HB CYS 17 -5.076 -5.373 -6.245 101 HB3 CYS 17 2HB CYS 17 -5.576 -5.425 -4.558 102 H GLY 18 H GLY 18 -1.822 -4.810 -4.282 103 HA2 GLY 18 1HA GLY 18 0.487 -5.152 -5.147 104 HA3 GLY 18 2HA GLY 18 -0.256 -5.381 -6.724 105 H ALA 19 H ALA 19 -1.716 -2.988 -4.780 106 HA ALA 19 HA ALA 19 -1.077 -0.924 -6.628 107 HB1 ALA 19 3HB ALA 19 -2.294 0.547 -5.072 108 HB2 ALA 19 1HB ALA 19 -3.194 -0.921 -5.459 109 HB3 ALA 19 2HB ALA 19 -2.367 -0.775 -3.907 110 H ARG 20 H ARG 20 -0.405 1.311 -5.531 111 HA ARG 20 HA ARG 20 1.777 0.995 -3.642 112 HB2 ARG 20 1HB ARG 20 2.170 1.781 -6.517 113 HB3 ARG 20 2HB ARG 20 3.272 2.342 -5.266 114 HG2 ARG 20 1HG ARG 20 3.983 0.153 -4.768 115 HG3 ARG 20 2HG ARG 20 2.653 -0.566 -5.677 116 HD2 ARG 20 1HD ARG 20 4.977 0.990 -6.805 117 HD3 ARG 20 2HD ARG 20 4.712 -0.749 -6.936 118 HE ARG 20 HE ARG 20 2.492 0.244 -8.068 119 HH11 ARG 20 1HH1 ARG 20 5.865 0.974 -8.523 120 HH12 ARG 20 2HH1 ARG 20 5.679 1.415 -10.188 121 HH21 ARG 20 1HH2 ARG 20 2.234 0.823 -10.259 122 HH22 ARG 20 2HH2 ARG 20 3.613 1.330 -11.174 123 H PHE 21 H PHE 21 2.619 3.054 -2.882 124 HA PHE 21 HA PHE 21 1.244 5.476 -3.615 125 HB2 PHE 21 1HB PHE 21 0.913 4.526 -0.771 126 HB3 PHE 21 2HB PHE 21 0.138 5.901 -1.551 127 HD1 PHE 21 HD2 PHE 21 0.357 2.192 -1.725 128 HD2 PHE 21 HD1 PHE 21 -1.985 5.675 -2.437 129 HE1 PHE 21 HE2 PHE 21 -1.573 0.775 -2.293 130 HE2 PHE 21 HE1 PHE 21 -3.918 4.263 -3.005 131 HZ PHE 21 HZ PHE 21 -3.713 1.809 -2.934 132 H VAL 22 H VAL 22 2.108 7.364 -2.529 133 HA VAL 22 HA VAL 22 4.930 7.110 -2.060 134 HB VAL 22 HB VAL 22 4.332 9.053 -3.238 135 HG11 VAL 22 1HG1 VAL 22 2.014 9.232 -2.852 136 HG12 VAL 22 2HG1 VAL 22 2.240 9.449 -1.115 137 HG13 VAL 22 3HG1 VAL 22 2.712 10.729 -2.234 138 HG21 VAL 22 3HG2 VAL 22 6.009 9.379 -1.422 139 HG22 VAL 22 1HG2 VAL 22 5.158 10.852 -1.888 140 HG23 VAL 22 2HG2 VAL 22 4.714 10.008 -0.404 141 H GLN 23 H GLN 23 2.074 7.745 -0.103 142 HA GLN 23 HA GLN 23 3.768 7.564 2.300 143 HB2 GLN 23 1HB GLN 23 1.505 9.398 1.647 144 HB3 GLN 23 2HB GLN 23 1.718 8.889 3.317 145 HG2 GLN 23 1HG GLN 23 4.021 10.008 1.780 146 HG3 GLN 23 2HG GLN 23 2.816 11.079 2.494 147 HE21 GLN 23 1HE2 GLN 23 4.217 11.974 3.967 148 HE22 GLN 23 2HE2 GLN 23 4.846 11.100 5.318 149 H VAL 24 H VAL 24 3.020 6.334 4.013 150 HA VAL 24 HA VAL 24 1.499 4.072 3.422 151 HB VAL 24 HB VAL 24 3.126 4.631 5.434 152 HG11 VAL 24 1HG1 VAL 24 1.978 4.984 7.522 153 HG12 VAL 24 2HG1 VAL 24 1.565 6.291 6.410 154 HG13 VAL 24 3HG1 VAL 24 0.415 4.986 6.706 155 HG21 VAL 24 3HG2 VAL 24 2.797 2.441 5.629 156 HG22 VAL 24 1HG2 VAL 24 1.366 2.779 6.603 157 HG23 VAL 24 2HG2 VAL 24 1.216 2.570 4.859 158 H ALA 25 H ALA 25 0.571 7.119 4.950 159 HA ALA 25 HA ALA 25 -1.941 6.529 5.887 160 HB1 ALA 25 3HB ALA 25 -1.755 8.685 6.382 161 HB2 ALA 25 1HB ALA 25 -0.497 8.905 5.166 162 HB3 ALA 25 2HB ALA 25 -2.195 9.058 4.716 163 H HIS 26 H HIS 26 -0.885 6.814 2.590 164 HA HIS 26 HA HIS 26 -3.573 6.955 1.524 165 HB2 HIS 26 1HB HIS 26 -1.040 6.423 -0.025 166 HB3 HIS 26 2HB HIS 26 -2.557 7.084 -0.627 167 HD1 HIS 26 HD1 HIS 26 -0.534 8.874 -1.439 168 HD2 HIS 26 HD2 HIS 26 -1.848 8.977 2.501 169 HE1 HIS 26 HE1 HIS 26 0.133 11.136 -0.567 170 H LEU 27 H LEU 27 -0.904 4.600 1.496 171 HA LEU 27 HA LEU 27 -2.295 2.561 0.154 172 HB2 LEU 27 1HB LEU 27 0.027 2.338 0.240 173 HB3 LEU 27 2HB LEU 27 0.078 2.598 1.982 174 HG LEU 27 HG LEU 27 -0.844 0.383 2.364 175 HD11 LEU 27 1HD1 LEU 27 -2.197 0.356 0.248 176 HD12 LEU 27 2HD1 LEU 27 -1.353 -1.145 0.623 177 HD13 LEU 27 3HD1 LEU 27 -0.713 -0.059 -0.609 178 HD21 LEU 27 3HD2 LEU 27 1.550 0.549 0.553 179 HD22 LEU 27 1HD2 LEU 27 1.039 -0.955 1.320 180 HD23 LEU 27 2HD2 LEU 27 1.512 0.424 2.312 181 H ARG 28 H ARG 28 -1.661 2.960 3.641 182 HA ARG 28 HA ARG 28 -3.147 0.771 4.520 183 HB2 ARG 28 1HB ARG 28 -2.978 1.675 6.686 184 HB3 ARG 28 2HB ARG 28 -1.543 2.250 5.848 185 HG2 ARG 28 1HG ARG 28 -2.592 4.413 5.495 186 HG3 ARG 28 2HG ARG 28 -4.063 3.840 6.283 187 HD2 ARG 28 1HD ARG 28 -1.461 3.673 7.734 188 HD3 ARG 28 2HD ARG 28 -2.285 5.228 7.616 189 HE ARG 28 HE ARG 28 -4.217 3.520 8.483 190 HH11 ARG 28 1HH1 ARG 28 -1.028 4.363 9.595 191 HH12 ARG 28 2HH1 ARG 28 -1.392 4.075 11.264 192 HH21 ARG 28 1HH2 ARG 28 -4.709 3.137 10.677 193 HH22 ARG 28 2HH2 ARG 28 -3.486 3.377 11.879 194 H ALA 29 H ALA 29 -4.189 3.758 3.225 195 HA ALA 29 HA ALA 29 -6.856 3.556 4.388 196 HB1 ALA 29 3HB ALA 29 -5.904 5.767 4.286 197 HB2 ALA 29 1HB ALA 29 -5.639 5.611 2.549 198 HB3 ALA 29 2HB ALA 29 -7.282 5.678 3.188 199 H HIS 30 H HIS 30 -5.183 2.469 1.663 200 HA HIS 30 HA HIS 30 -7.604 2.304 0.021 201 HB2 HIS 30 1HB HIS 30 -5.945 3.014 -1.404 202 HB3 HIS 30 2HB HIS 30 -4.680 2.151 -0.534 203 HD1 HIS 30 HD1 HIS 30 -6.986 1.864 -3.391 204 HD2 HIS 30 HD2 HIS 30 -4.502 -0.638 -1.193 205 HE1 HIS 30 HE1 HIS 30 -6.739 -0.222 -4.774 206 H VAL 31 H VAL 31 -5.266 0.327 1.725 207 HA VAL 31 HA VAL 31 -6.005 -2.183 0.694 208 HB VAL 31 HB VAL 31 -5.191 -2.914 3.115 209 HG11 VAL 31 1HG1 VAL 31 -3.345 -1.731 1.043 210 HG12 VAL 31 2HG1 VAL 31 -2.910 -2.920 2.273 211 HG13 VAL 31 3HG1 VAL 31 -4.042 -3.350 0.989 212 HG21 VAL 31 3HG2 VAL 31 -5.236 -0.243 3.528 213 HG22 VAL 31 1HG2 VAL 31 -4.181 -1.359 4.395 214 HG23 VAL 31 2HG2 VAL 31 -3.565 -0.462 3.007 215 H LEU 32 H LEU 32 -7.603 -0.063 2.857 216 HA LEU 32 HA LEU 32 -9.111 -1.958 4.328 217 HB2 LEU 32 1HB LEU 32 -9.890 0.874 3.666 218 HB3 LEU 32 2HB LEU 32 -10.477 -0.106 5.008 219 HG LEU 32 HG LEU 32 -7.642 0.880 4.702 220 HD11 LEU 32 1HD1 LEU 32 -9.967 2.274 5.509 221 HD12 LEU 32 2HD1 LEU 32 -8.289 2.811 5.571 222 HD13 LEU 32 3HD1 LEU 32 -8.996 1.970 6.950 223 HD21 LEU 32 3HD2 LEU 32 -8.670 0.026 7.315 224 HD22 LEU 32 1HD2 LEU 32 -7.108 -0.274 6.552 225 HD23 LEU 32 2HD2 LEU 32 -8.503 -1.266 6.125 226 H ILE 33 H ILE 33 -9.293 -0.867 1.108 227 HA ILE 33 HA ILE 33 -12.054 -1.083 0.613 228 HB ILE 33 HB ILE 33 -11.518 -1.189 -1.716 229 HG12 ILE 33 1HG1 ILE 33 -8.777 -2.019 -0.768 230 HG13 ILE 33 2HG1 ILE 33 -9.875 -2.907 -1.819 231 HG21 ILE 33 1HG2 ILE 33 -11.199 0.990 -1.013 232 HG22 ILE 33 2HG2 ILE 33 -9.781 0.580 -0.049 233 HG23 ILE 33 3HG2 ILE 33 -9.667 0.628 -1.808 234 HD11 ILE 33 3HD1 ILE 33 -8.165 -0.540 -2.448 235 HD12 ILE 33 1HD1 ILE 33 -8.265 -2.097 -3.269 236 HD13 ILE 33 2HD1 ILE 33 -9.575 -0.927 -3.433 237 H HIS 34 H HIS 34 -9.435 -3.463 0.397 238 HA HIS 34 HA HIS 34 -11.179 -5.569 -0.476 239 HB2 HIS 34 1HB HIS 34 -8.471 -6.039 0.730 240 HB3 HIS 34 2HB HIS 34 -9.278 -6.925 -0.560 241 HD1 HIS 34 HD1 HIS 34 -9.186 -5.884 -2.948 242 HD2 HIS 34 HD2 HIS 34 -6.993 -3.828 -0.080 243 HE1 HIS 34 HE1 HIS 34 -7.697 -4.318 -4.234 244 H THR 35 H THR 35 -9.167 -5.302 2.458 245 HA THR 35 HA THR 35 -10.370 -7.324 3.909 246 HB THR 35 HB THR 35 -8.288 -6.240 4.620 247 HG1 THR 35 HG1 THR 35 -10.475 -6.552 6.326 248 HG21 THR 35 3HG2 THR 35 -8.381 -4.082 5.816 249 HG22 THR 35 1HG2 THR 35 -10.077 -3.923 5.363 250 HG23 THR 35 2HG2 THR 35 -8.828 -3.926 4.118 251 H GLY 36 H GLY 36 -11.382 -3.987 3.483 252 HA2 GLY 36 1HA GLY 36 -13.648 -4.445 5.305 253 HA3 GLY 36 2HA GLY 36 -13.074 -2.873 4.768 254 H SER 37 H SER 37 -15.722 -4.436 4.637 255 HA SER 37 HA SER 37 -16.424 -5.093 2.059 256 HB2 SER 37 1HB SER 37 -18.150 -3.643 4.081 257 HB3 SER 37 2HB SER 37 -18.736 -4.544 2.684 258 HG SER 37 HG SER 37 -18.698 -6.211 3.948 259 H GLY 38 H GLY 38 -17.007 -4.019 0.230 260 HA2 GLY 38 1HA GLY 38 -16.146 -1.282 -0.007 261 HA3 GLY 38 2HA GLY 38 -16.791 -2.290 -1.294 262 HA PRO 39 HA PRO 39 -19.968 0.793 0.599 263 HB2 PRO 39 1HB PRO 39 -19.551 2.985 -0.948 264 HB3 PRO 39 2HB PRO 39 -18.747 2.740 0.607 265 HG2 PRO 39 1HG PRO 39 -17.710 2.255 -2.159 266 HG3 PRO 39 2HG PRO 39 -16.893 2.998 -0.772 267 HD2 PRO 39 1HD PRO 39 -16.470 0.426 -1.505 268 HD3 PRO 39 2HD PRO 39 -16.394 0.962 0.186 269 H SER 40 H SER 40 -18.870 0.892 -2.798 270 HA SER 40 HA SER 40 -21.665 0.487 -3.628 271 HB2 SER 40 1HB SER 40 -19.350 1.917 -4.876 272 HB3 SER 40 2HB SER 40 -20.602 1.244 -5.920 273 HG SER 40 HG SER 40 -22.119 2.511 -4.874 274 H SER 41 H SER 41 -22.210 -1.407 -4.472 275 HA SER 41 HA SER 41 -20.477 -2.904 -6.182 276 HB2 SER 41 1HB SER 41 -20.924 -3.824 -3.349 277 HB3 SER 41 2HB SER 41 -20.596 -4.976 -4.643 278 HG SER 41 HG SER 41 -18.579 -4.382 -4.639 279 H GLY 42 H GLY 42 -21.521 -5.135 -6.653 280 HA2 GLY 42 1HA GLY 42 -23.581 -6.413 -6.679 281 HA3 GLY 42 2HA GLY 42 -24.457 -4.900 -6.495 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -1.184 -1.456 -23.332 2 HA2 GLY 1 1HA GLY 1 -3.898 -0.459 -22.975 3 HA3 GLY 1 2HA GLY 1 -2.632 -0.498 -21.757 4 H SER 2 H SER 2 -1.193 1.214 -21.584 5 HA SER 2 HA SER 2 -1.381 3.435 -23.439 6 HB2 SER 2 1HB SER 2 -3.223 3.618 -21.601 7 HB3 SER 2 2HB SER 2 -1.883 4.067 -20.546 8 HG SER 2 HG SER 2 -1.408 5.763 -22.001 9 H SER 3 H SER 3 0.538 4.396 -23.655 10 HA SER 3 HA SER 3 2.579 3.868 -21.596 11 HB2 SER 3 1HB SER 3 2.989 2.821 -23.832 12 HB3 SER 3 2HB SER 3 3.046 4.439 -24.531 13 HG SER 3 HG SER 3 5.133 3.690 -24.028 14 H GLY 4 H GLY 4 3.203 5.574 -20.461 15 HA2 GLY 4 1HA GLY 4 4.137 7.973 -21.391 16 HA3 GLY 4 2HA GLY 4 2.410 8.231 -21.198 17 H SER 5 H SER 5 5.359 7.305 -19.492 18 HA SER 5 HA SER 5 4.062 8.042 -16.956 19 HB2 SER 5 1HB SER 5 5.564 6.623 -15.823 20 HB3 SER 5 2HB SER 5 5.140 5.724 -17.279 21 HG SER 5 HG SER 5 7.099 6.127 -18.121 22 H SER 6 H SER 6 5.455 9.148 -15.357 23 HA SER 6 HA SER 6 7.302 11.023 -16.686 24 HB2 SER 6 1HB SER 6 5.187 11.466 -14.608 25 HB3 SER 6 2HB SER 6 6.596 12.526 -14.650 26 HG SER 6 HG SER 6 5.282 12.032 -17.058 27 H GLY 7 H GLY 7 6.510 9.691 -13.469 28 HA2 GLY 7 1HA GLY 7 9.251 8.932 -13.031 29 HA3 GLY 7 2HA GLY 7 8.761 10.320 -12.071 30 H GLY 8 H GLY 8 8.946 6.987 -12.161 31 HA2 GLY 8 1HA GLY 8 6.701 6.553 -10.342 32 HA3 GLY 8 2HA GLY 8 7.721 5.309 -11.050 33 H GLU 9 H GLU 9 6.859 6.249 -8.204 34 HA GLU 9 HA GLU 9 9.147 5.290 -6.869 35 HB2 GLU 9 1HB GLU 9 9.809 7.356 -5.678 36 HB3 GLU 9 2HB GLU 9 10.133 7.434 -7.404 37 HG2 GLU 9 1HG GLU 9 7.940 8.670 -7.626 38 HG3 GLU 9 2HG GLU 9 7.944 8.795 -5.868 39 H LYS 10 H LYS 10 7.971 4.094 -5.504 40 HA LYS 10 HA LYS 10 6.360 5.459 -3.514 41 HB2 LYS 10 1HB LYS 10 5.178 3.203 -5.141 42 HB3 LYS 10 2HB LYS 10 4.394 4.075 -3.831 43 HG2 LYS 10 1HG LYS 10 4.534 6.142 -5.201 44 HG3 LYS 10 2HG LYS 10 5.162 5.164 -6.529 45 HD2 LYS 10 1HD LYS 10 3.149 4.153 -6.918 46 HD3 LYS 10 2HD LYS 10 2.629 4.298 -5.237 47 HE2 LYS 10 1HE LYS 10 1.926 6.485 -5.508 48 HE3 LYS 10 2HE LYS 10 2.965 6.753 -6.907 49 HZ1 LYS 10 3HZ LYS 10 0.717 4.843 -7.026 50 HZ2 LYS 10 1HZ LYS 10 1.514 5.622 -8.299 51 HZ3 LYS 10 2HZ LYS 10 0.470 6.495 -7.294 52 HA PRO 11 HA PRO 11 8.708 2.310 -1.346 53 HB2 PRO 11 1HB PRO 11 8.171 3.282 1.132 54 HB3 PRO 11 2HB PRO 11 9.395 3.986 0.069 55 HG2 PRO 11 1HG PRO 11 6.586 4.885 0.580 56 HG3 PRO 11 2HG PRO 11 8.065 5.855 0.450 57 HD2 PRO 11 1HD PRO 11 6.296 5.615 -1.586 58 HD3 PRO 11 2HD PRO 11 8.040 5.813 -1.855 59 H TYR 12 H TYR 12 5.445 3.369 -0.425 60 HA TYR 12 HA TYR 12 4.887 0.849 0.888 61 HB2 TYR 12 1HB TYR 12 2.960 3.098 0.292 62 HB3 TYR 12 2HB TYR 12 2.765 1.813 1.478 63 HD1 TYR 12 HD1 TYR 12 4.040 1.851 3.573 64 HD2 TYR 12 HD2 TYR 12 4.334 5.023 0.753 65 HE1 TYR 12 HE1 TYR 12 5.072 3.276 5.292 66 HE2 TYR 12 HE2 TYR 12 5.368 6.456 2.463 67 HH TYR 12 HH TYR 12 6.271 6.511 4.519 68 H LYS 13 H LYS 13 3.889 -0.855 0.020 69 HA LYS 13 HA LYS 13 2.456 -0.517 -2.523 70 HB2 LYS 13 1HB LYS 13 4.571 -1.375 -3.200 71 HB3 LYS 13 2HB LYS 13 4.595 -2.544 -1.886 72 HG2 LYS 13 1HG LYS 13 2.436 -3.449 -3.061 73 HG3 LYS 13 2HG LYS 13 3.111 -2.617 -4.464 74 HD2 LYS 13 1HD LYS 13 4.897 -4.034 -4.617 75 HD3 LYS 13 2HD LYS 13 4.922 -4.365 -2.884 76 HE2 LYS 13 1HE LYS 13 2.882 -5.724 -3.142 77 HE3 LYS 13 2HE LYS 13 2.925 -5.429 -4.880 78 HZ1 LYS 13 3HZ LYS 13 3.971 -7.576 -3.863 79 HZ2 LYS 13 1HZ LYS 13 5.300 -6.565 -3.589 80 HZ3 LYS 13 2HZ LYS 13 4.719 -6.790 -5.161 81 H CYS 14 H CYS 14 0.611 -1.685 -2.728 82 HA CYS 14 HA CYS 14 -0.381 -3.001 -0.351 83 HB2 CYS 14 1HB CYS 14 -1.932 -1.567 -1.463 84 HB3 CYS 14 2HB CYS 14 -1.631 -2.338 -3.017 85 H GLU 15 H GLU 15 0.105 -5.057 0.020 86 HA GLU 15 HA GLU 15 0.913 -6.850 -2.061 87 HB2 GLU 15 1HB GLU 15 0.256 -7.460 0.826 88 HB3 GLU 15 2HB GLU 15 1.134 -8.503 -0.284 89 HG2 GLU 15 1HG GLU 15 2.802 -6.566 -0.472 90 HG3 GLU 15 2HG GLU 15 2.019 -5.938 0.977 91 H THR 16 H THR 16 -2.055 -6.124 -0.425 92 HA THR 16 HA THR 16 -3.489 -8.481 -0.823 93 HB THR 16 HB THR 16 -4.423 -5.612 -0.740 94 HG1 THR 16 HG1 THR 16 -3.546 -7.079 1.137 95 HG21 THR 16 3HG2 THR 16 -6.121 -6.728 -1.961 96 HG22 THR 16 1HG2 THR 16 -6.691 -6.654 -0.294 97 HG23 THR 16 2HG2 THR 16 -6.024 -8.157 -0.933 98 H CYS 17 H CYS 17 -2.947 -5.741 -2.988 99 HA CYS 17 HA CYS 17 -4.048 -7.365 -5.185 100 HB2 CYS 17 1HB CYS 17 -4.971 -5.386 -6.214 101 HB3 CYS 17 2HB CYS 17 -5.568 -5.490 -4.561 102 H GLY 18 H GLY 18 -1.797 -4.808 -4.233 103 HA2 GLY 18 1HA GLY 18 0.522 -5.185 -5.074 104 HA3 GLY 18 2HA GLY 18 -0.214 -5.433 -6.650 105 H ALA 19 H ALA 19 -1.700 -3.011 -4.776 106 HA ALA 19 HA ALA 19 -1.035 -0.975 -6.640 107 HB1 ALA 19 3HB ALA 19 -3.127 -1.208 -5.146 108 HB2 ALA 19 1HB ALA 19 -2.146 -0.404 -3.919 109 HB3 ALA 19 2HB ALA 19 -2.477 0.403 -5.453 110 H ARG 20 H ARG 20 -0.389 1.280 -5.527 111 HA ARG 20 HA ARG 20 1.797 0.978 -3.645 112 HB2 ARG 20 1HB ARG 20 2.189 1.725 -6.527 113 HB3 ARG 20 2HB ARG 20 3.277 2.337 -5.289 114 HG2 ARG 20 1HG ARG 20 3.920 0.105 -4.674 115 HG3 ARG 20 2HG ARG 20 2.722 -0.580 -5.775 116 HD2 ARG 20 1HD ARG 20 4.568 -0.732 -7.102 117 HD3 ARG 20 2HD ARG 20 4.039 0.893 -7.536 118 HE ARG 20 HE ARG 20 5.920 0.753 -5.343 119 HH11 ARG 20 1HH1 ARG 20 5.468 1.108 -8.777 120 HH12 ARG 20 2HH1 ARG 20 7.000 1.875 -9.031 121 HH21 ARG 20 1HH2 ARG 20 7.940 1.762 -5.665 122 HH22 ARG 20 2HH2 ARG 20 8.406 2.246 -7.261 123 H PHE 21 H PHE 21 2.630 3.041 -2.889 124 HA PHE 21 HA PHE 21 1.252 5.457 -3.637 125 HB2 PHE 21 1HB PHE 21 0.915 4.518 -0.791 126 HB3 PHE 21 2HB PHE 21 0.140 5.889 -1.578 127 HD1 PHE 21 HD2 PHE 21 0.365 2.180 -1.739 128 HD2 PHE 21 HD1 PHE 21 -1.980 5.656 -2.467 129 HE1 PHE 21 HE2 PHE 21 -1.560 0.757 -2.307 130 HE2 PHE 21 HE1 PHE 21 -3.910 4.239 -3.035 131 HZ PHE 21 HZ PHE 21 -3.701 1.786 -2.957 132 H VAL 22 H VAL 22 2.091 7.351 -2.517 133 HA VAL 22 HA VAL 22 4.919 7.106 -2.050 134 HB VAL 22 HB VAL 22 4.338 9.042 -3.237 135 HG11 VAL 22 1HG1 VAL 22 2.137 9.288 -1.235 136 HG12 VAL 22 2HG1 VAL 22 2.702 10.721 -2.095 137 HG13 VAL 22 3HG1 VAL 22 2.065 9.345 -2.996 138 HG21 VAL 22 3HG2 VAL 22 5.104 10.865 -1.862 139 HG22 VAL 22 1HG2 VAL 22 4.675 9.986 -0.394 140 HG23 VAL 22 2HG2 VAL 22 5.987 9.404 -1.418 141 H GLN 23 H GLN 23 2.051 7.751 -0.112 142 HA GLN 23 HA GLN 23 3.732 7.587 2.302 143 HB2 GLN 23 1HB GLN 23 1.452 9.398 1.632 144 HB3 GLN 23 2HB GLN 23 1.682 8.910 3.306 145 HG2 GLN 23 1HG GLN 23 3.992 10.000 1.774 146 HG3 GLN 23 2HG GLN 23 2.763 11.100 2.397 147 HE21 GLN 23 1HE2 GLN 23 4.026 12.080 3.911 148 HE22 GLN 23 2HE2 GLN 23 4.649 11.271 5.304 149 H VAL 24 H VAL 24 2.999 6.342 4.001 150 HA VAL 24 HA VAL 24 1.481 4.079 3.416 151 HB VAL 24 HB VAL 24 3.106 4.646 5.429 152 HG11 VAL 24 1HG1 VAL 24 1.934 4.973 7.520 153 HG12 VAL 24 2HG1 VAL 24 1.563 6.300 6.417 154 HG13 VAL 24 3HG1 VAL 24 0.385 5.013 6.679 155 HG21 VAL 24 3HG2 VAL 24 1.325 2.788 6.583 156 HG22 VAL 24 1HG2 VAL 24 1.233 2.572 4.835 157 HG23 VAL 24 2HG2 VAL 24 2.790 2.459 5.656 158 H ALA 25 H ALA 25 0.544 7.119 4.958 159 HA ALA 25 HA ALA 25 -1.967 6.523 5.889 160 HB1 ALA 25 3HB ALA 25 -2.006 8.704 6.297 161 HB2 ALA 25 1HB ALA 25 -0.499 8.854 5.392 162 HB3 ALA 25 2HB ALA 25 -2.045 9.075 4.573 163 H HIS 26 H HIS 26 -0.915 6.818 2.590 164 HA HIS 26 HA HIS 26 -3.604 6.943 1.527 165 HB2 HIS 26 1HB HIS 26 -1.072 6.423 -0.028 166 HB3 HIS 26 2HB HIS 26 -2.592 7.082 -0.624 167 HD1 HIS 26 HD1 HIS 26 -0.597 8.887 -1.445 168 HD2 HIS 26 HD2 HIS 26 -1.856 8.959 2.514 169 HE1 HIS 26 HE1 HIS 26 0.073 11.147 -0.567 170 H LEU 27 H LEU 27 -0.923 4.602 1.493 171 HA LEU 27 HA LEU 27 -2.307 2.557 0.153 172 HB2 LEU 27 1HB LEU 27 0.014 2.341 0.229 173 HB3 LEU 27 2HB LEU 27 0.074 2.610 1.969 174 HG LEU 27 HG LEU 27 -0.847 0.390 2.361 175 HD11 LEU 27 1HD1 LEU 27 -1.355 -1.141 0.637 176 HD12 LEU 27 2HD1 LEU 27 -0.674 -0.088 -0.602 177 HD13 LEU 27 3HD1 LEU 27 -2.172 0.363 0.213 178 HD21 LEU 27 3HD2 LEU 27 1.054 -0.940 1.383 179 HD22 LEU 27 1HD2 LEU 27 1.521 0.487 2.308 180 HD23 LEU 27 2HD2 LEU 27 1.549 0.531 0.545 181 H ARG 28 H ARG 28 -1.654 2.944 3.638 182 HA ARG 28 HA ARG 28 -3.134 0.750 4.516 183 HB2 ARG 28 1HB ARG 28 -2.952 1.644 6.685 184 HB3 ARG 28 2HB ARG 28 -1.522 2.225 5.842 185 HG2 ARG 28 1HG ARG 28 -2.599 4.386 5.491 186 HG3 ARG 28 2HG ARG 28 -4.040 3.804 6.327 187 HD2 ARG 28 1HD ARG 28 -1.386 3.668 7.689 188 HD3 ARG 28 2HD ARG 28 -2.241 5.208 7.604 189 HE ARG 28 HE ARG 28 -3.808 2.986 8.588 190 HH11 ARG 28 1HH1 ARG 28 -1.725 5.659 9.388 191 HH12 ARG 28 2HH1 ARG 28 -2.293 5.782 11.020 192 HH21 ARG 28 1HH2 ARG 28 -4.563 3.138 10.735 193 HH22 ARG 28 2HH2 ARG 28 -3.907 4.347 11.786 194 H ALA 29 H ALA 29 -4.184 3.750 3.251 195 HA ALA 29 HA ALA 29 -6.847 3.531 4.423 196 HB1 ALA 29 3HB ALA 29 -7.282 5.669 3.276 197 HB2 ALA 29 1HB ALA 29 -5.877 5.743 4.339 198 HB3 ALA 29 2HB ALA 29 -5.657 5.612 2.593 199 H HIS 30 H HIS 30 -5.182 2.481 1.679 200 HA HIS 30 HA HIS 30 -7.610 2.332 0.044 201 HB2 HIS 30 1HB HIS 30 -5.964 3.063 -1.383 202 HB3 HIS 30 2HB HIS 30 -4.689 2.203 -0.525 203 HD1 HIS 30 HD1 HIS 30 -7.017 1.912 -3.367 204 HD2 HIS 30 HD2 HIS 30 -4.472 -0.570 -1.218 205 HE1 HIS 30 HE1 HIS 30 -6.752 -0.157 -4.772 206 H VAL 31 H VAL 31 -5.258 0.339 1.711 207 HA VAL 31 HA VAL 31 -5.994 -2.159 0.650 208 HB VAL 31 HB VAL 31 -5.165 -2.926 3.049 209 HG11 VAL 31 1HG1 VAL 31 -4.034 -3.239 0.853 210 HG12 VAL 31 2HG1 VAL 31 -3.270 -1.664 1.074 211 HG13 VAL 31 3HG1 VAL 31 -2.924 -2.978 2.198 212 HG21 VAL 31 3HG2 VAL 31 -4.184 -1.386 4.368 213 HG22 VAL 31 1HG2 VAL 31 -3.553 -0.468 3.001 214 HG23 VAL 31 2HG2 VAL 31 -5.229 -0.256 3.508 215 H LEU 32 H LEU 32 -7.576 -0.078 2.870 216 HA LEU 32 HA LEU 32 -9.076 -1.998 4.312 217 HB2 LEU 32 1HB LEU 32 -9.903 0.830 3.700 218 HB3 LEU 32 2HB LEU 32 -10.418 -0.171 5.057 219 HG LEU 32 HG LEU 32 -7.598 0.825 4.665 220 HD11 LEU 32 1HD1 LEU 32 -9.435 1.905 6.743 221 HD12 LEU 32 2HD1 LEU 32 -9.550 2.525 5.096 222 HD13 LEU 32 3HD1 LEU 32 -8.029 2.647 5.981 223 HD21 LEU 32 3HD2 LEU 32 -8.044 -1.269 6.035 224 HD22 LEU 32 1HD2 LEU 32 -8.890 -0.217 7.170 225 HD23 LEU 32 2HD2 LEU 32 -7.176 0.038 6.841 226 H ILE 33 H ILE 33 -9.302 -0.805 1.118 227 HA ILE 33 HA ILE 33 -12.040 -0.994 0.606 228 HB ILE 33 HB ILE 33 -11.492 -1.186 -1.724 229 HG12 ILE 33 1HG1 ILE 33 -8.772 -2.020 -0.719 230 HG13 ILE 33 2HG1 ILE 33 -9.865 -2.923 -1.763 231 HG21 ILE 33 1HG2 ILE 33 -11.156 1.007 -1.092 232 HG22 ILE 33 2HG2 ILE 33 -9.774 0.612 -0.072 233 HG23 ILE 33 3HG2 ILE 33 -9.605 0.605 -1.827 234 HD11 ILE 33 3HD1 ILE 33 -8.243 -2.172 -3.220 235 HD12 ILE 33 1HD1 ILE 33 -9.522 -0.974 -3.414 236 HD13 ILE 33 2HD1 ILE 33 -8.109 -0.603 -2.426 237 H HIS 34 H HIS 34 -9.505 -3.467 0.426 238 HA HIS 34 HA HIS 34 -11.302 -5.527 -0.430 239 HB2 HIS 34 1HB HIS 34 -8.640 -6.053 0.859 240 HB3 HIS 34 2HB HIS 34 -9.449 -6.959 -0.417 241 HD1 HIS 34 HD1 HIS 34 -9.298 -5.982 -2.837 242 HD2 HIS 34 HD2 HIS 34 -7.054 -3.944 0.004 243 HE1 HIS 34 HE1 HIS 34 -7.729 -4.517 -4.145 244 H THR 35 H THR 35 -9.450 -5.100 2.592 245 HA THR 35 HA THR 35 -10.915 -7.078 4.002 246 HB THR 35 HB THR 35 -8.626 -6.401 4.644 247 HG1 THR 35 HG1 THR 35 -9.332 -6.000 7.006 248 HG21 THR 35 3HG2 THR 35 -8.719 -4.024 4.293 249 HG22 THR 35 1HG2 THR 35 -8.368 -4.317 5.996 250 HG23 THR 35 2HG2 THR 35 -9.994 -3.849 5.498 251 H GLY 36 H GLY 36 -12.689 -6.941 5.276 252 HA2 GLY 36 1HA GLY 36 -13.977 -5.443 6.815 253 HA3 GLY 36 2HA GLY 36 -13.952 -4.279 5.499 254 H SER 37 H SER 37 -16.137 -4.123 5.194 255 HA SER 37 HA SER 37 -17.372 -6.051 3.545 256 HB2 SER 37 1HB SER 37 -17.602 -7.329 5.616 257 HB3 SER 37 2HB SER 37 -18.372 -5.952 6.402 258 HG SER 37 HG SER 37 -19.379 -7.325 4.129 259 H GLY 38 H GLY 38 -19.467 -5.391 2.808 260 HA2 GLY 38 1HA GLY 38 -21.329 -3.779 3.120 261 HA3 GLY 38 2HA GLY 38 -20.096 -2.586 3.499 262 HA PRO 39 HA PRO 39 -19.992 -1.346 -0.702 263 HB2 PRO 39 1HB PRO 39 -17.401 -0.581 -0.968 264 HB3 PRO 39 2HB PRO 39 -18.588 0.350 -0.046 265 HG2 PRO 39 1HG PRO 39 -16.512 -1.572 0.933 266 HG3 PRO 39 2HG PRO 39 -16.977 0.006 1.596 267 HD2 PRO 39 1HD PRO 39 -17.849 -2.332 2.649 268 HD3 PRO 39 2HD PRO 39 -18.828 -0.851 2.670 269 H SER 40 H SER 40 -18.607 -4.148 0.321 270 HA SER 40 HA SER 40 -16.752 -5.105 -1.323 271 HB2 SER 40 1HB SER 40 -17.865 -7.294 -1.301 272 HB3 SER 40 2HB SER 40 -17.989 -6.513 0.275 273 HG SER 40 HG SER 40 -19.985 -6.750 -1.719 274 H SER 41 H SER 41 -20.162 -4.798 -2.293 275 HA SER 41 HA SER 41 -19.882 -5.730 -4.911 276 HB2 SER 41 1HB SER 41 -22.039 -5.254 -3.631 277 HB3 SER 41 2HB SER 41 -21.820 -3.566 -4.089 278 HG SER 41 HG SER 41 -22.395 -5.792 -5.695 279 H GLY 42 H GLY 42 -17.918 -4.857 -5.710 280 HA2 GLY 42 1HA GLY 42 -17.091 -3.422 -7.392 281 HA3 GLY 42 2HA GLY 42 -18.286 -2.222 -6.924 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -3.806 4.175 -26.765 2 HA2 GLY 1 1HA GLY 1 -4.780 1.834 -25.528 3 HA3 GLY 1 2HA GLY 1 -3.087 2.277 -25.691 4 H SER 2 H SER 2 -2.217 1.968 -23.740 5 HA SER 2 HA SER 2 -3.638 2.365 -21.305 6 HB2 SER 2 1HB SER 2 -1.522 1.857 -20.207 7 HB3 SER 2 2HB SER 2 -1.778 0.739 -21.547 8 HG SER 2 HG SER 2 -0.391 3.073 -22.128 9 H SER 3 H SER 3 -3.151 3.896 -19.639 10 HA SER 3 HA SER 3 -1.911 6.387 -20.595 11 HB2 SER 3 1HB SER 3 -4.334 6.672 -20.710 12 HB3 SER 3 2HB SER 3 -4.496 6.147 -19.034 13 HG SER 3 HG SER 3 -3.309 8.514 -20.029 14 H GLY 4 H GLY 4 -0.242 6.893 -19.351 15 HA2 GLY 4 1HA GLY 4 -0.261 7.377 -16.654 16 HA3 GLY 4 2HA GLY 4 0.158 5.675 -16.787 17 H SER 5 H SER 5 2.226 5.981 -15.949 18 HA SER 5 HA SER 5 4.117 7.156 -17.858 19 HB2 SER 5 1HB SER 5 3.788 7.867 -14.972 20 HB3 SER 5 2HB SER 5 5.410 7.868 -15.665 21 HG SER 5 HG SER 5 4.885 9.512 -16.947 22 H SER 6 H SER 6 6.231 6.272 -17.780 23 HA SER 6 HA SER 6 6.260 3.506 -16.937 24 HB2 SER 6 1HB SER 6 8.358 3.353 -18.159 25 HB3 SER 6 2HB SER 6 7.169 4.207 -19.143 26 HG SER 6 HG SER 6 8.265 6.127 -17.931 27 H GLY 7 H GLY 7 6.499 3.305 -14.769 28 HA2 GLY 7 1HA GLY 7 8.196 2.939 -13.083 29 HA3 GLY 7 2HA GLY 7 8.982 4.413 -13.628 30 H GLY 8 H GLY 8 8.939 4.880 -11.279 31 HA2 GLY 8 1HA GLY 8 7.449 6.927 -10.491 32 HA3 GLY 8 2HA GLY 8 6.325 5.607 -10.205 33 H GLU 9 H GLU 9 7.379 7.379 -8.227 34 HA GLU 9 HA GLU 9 9.135 5.595 -6.684 35 HB2 GLU 9 1HB GLU 9 9.398 7.711 -5.234 36 HB3 GLU 9 2HB GLU 9 10.201 7.668 -6.797 37 HG2 GLU 9 1HG GLU 9 8.331 8.955 -7.758 38 HG3 GLU 9 2HG GLU 9 7.611 9.059 -6.152 39 H LYS 10 H LYS 10 8.103 4.346 -5.285 40 HA LYS 10 HA LYS 10 6.237 5.477 -3.406 41 HB2 LYS 10 1HB LYS 10 5.304 3.302 -5.289 42 HB3 LYS 10 2HB LYS 10 4.402 3.925 -3.913 43 HG2 LYS 10 1HG LYS 10 4.399 6.159 -5.003 44 HG3 LYS 10 2HG LYS 10 5.149 5.416 -6.418 45 HD2 LYS 10 1HD LYS 10 3.246 4.266 -6.990 46 HD3 LYS 10 2HD LYS 10 2.652 4.209 -5.329 47 HE2 LYS 10 1HE LYS 10 2.044 6.540 -5.421 48 HE3 LYS 10 2HE LYS 10 2.772 6.705 -7.018 49 HZ1 LYS 10 3HZ LYS 10 0.842 4.612 -6.960 50 HZ2 LYS 10 1HZ LYS 10 0.926 5.965 -7.972 51 HZ3 LYS 10 2HZ LYS 10 0.160 6.079 -6.468 52 HA PRO 11 HA PRO 11 8.701 2.308 -1.352 53 HB2 PRO 11 1HB PRO 11 8.216 3.242 1.150 54 HB3 PRO 11 2HB PRO 11 9.426 3.955 0.077 55 HG2 PRO 11 1HG PRO 11 6.633 4.866 0.652 56 HG3 PRO 11 2HG PRO 11 8.117 5.827 0.511 57 HD2 PRO 11 1HD PRO 11 6.311 5.634 -1.497 58 HD3 PRO 11 2HD PRO 11 8.051 5.822 -1.793 59 H TYR 12 H TYR 12 5.440 3.357 -0.441 60 HA TYR 12 HA TYR 12 4.889 0.839 0.887 61 HB2 TYR 12 1HB TYR 12 2.954 3.082 0.294 62 HB3 TYR 12 2HB TYR 12 2.774 1.802 1.489 63 HD1 TYR 12 HD1 TYR 12 4.048 1.861 3.579 64 HD2 TYR 12 HD2 TYR 12 4.335 5.011 0.733 65 HE1 TYR 12 HE1 TYR 12 5.085 3.299 5.284 66 HE2 TYR 12 HE2 TYR 12 5.374 6.457 2.429 67 HH TYR 12 HH TYR 12 5.876 6.681 4.600 68 H LYS 13 H LYS 13 3.880 -0.862 0.023 69 HA LYS 13 HA LYS 13 2.450 -0.521 -2.522 70 HB2 LYS 13 1HB LYS 13 4.559 -1.388 -3.202 71 HB3 LYS 13 2HB LYS 13 4.586 -2.551 -1.883 72 HG2 LYS 13 1HG LYS 13 2.427 -3.464 -3.045 73 HG3 LYS 13 2HG LYS 13 3.090 -2.633 -4.455 74 HD2 LYS 13 1HD LYS 13 4.879 -4.046 -4.616 75 HD3 LYS 13 2HD LYS 13 4.916 -4.371 -2.882 76 HE2 LYS 13 1HE LYS 13 3.147 -5.911 -3.026 77 HE3 LYS 13 2HE LYS 13 2.684 -5.355 -4.634 78 HZ1 LYS 13 3HZ LYS 13 4.110 -7.540 -4.229 79 HZ2 LYS 13 1HZ LYS 13 5.377 -6.425 -4.348 80 HZ3 LYS 13 2HZ LYS 13 4.276 -6.592 -5.620 81 H CYS 14 H CYS 14 0.608 -1.697 -2.736 82 HA CYS 14 HA CYS 14 -0.382 -3.017 -0.356 83 HB2 CYS 14 1HB CYS 14 -1.921 -1.548 -1.456 84 HB3 CYS 14 2HB CYS 14 -1.656 -2.336 -3.008 85 H GLU 15 H GLU 15 0.067 -5.085 -0.009 86 HA GLU 15 HA GLU 15 0.854 -6.860 -2.117 87 HB2 GLU 15 1HB GLU 15 0.211 -7.491 0.769 88 HB3 GLU 15 2HB GLU 15 1.064 -8.537 -0.357 89 HG2 GLU 15 1HG GLU 15 2.781 -6.673 -0.543 90 HG3 GLU 15 2HG GLU 15 1.999 -5.967 0.870 91 H THR 16 H THR 16 -2.096 -6.131 -0.447 92 HA THR 16 HA THR 16 -3.557 -8.465 -0.858 93 HB THR 16 HB THR 16 -4.478 -5.590 -0.786 94 HG1 THR 16 HG1 THR 16 -4.827 -6.004 1.331 95 HG21 THR 16 3HG2 THR 16 -6.194 -6.728 -1.960 96 HG22 THR 16 1HG2 THR 16 -6.736 -6.629 -0.285 97 HG23 THR 16 2HG2 THR 16 -6.076 -8.140 -0.911 98 H CYS 17 H CYS 17 -2.957 -5.743 -3.024 99 HA CYS 17 HA CYS 17 -4.084 -7.346 -5.221 100 HB2 CYS 17 1HB CYS 17 -5.049 -5.400 -6.226 101 HB3 CYS 17 2HB CYS 17 -5.573 -5.432 -4.545 102 H GLY 18 H GLY 18 -1.821 -4.807 -4.255 103 HA2 GLY 18 1HA GLY 18 0.495 -5.179 -5.098 104 HA3 GLY 18 2HA GLY 18 -0.240 -5.428 -6.675 105 H ALA 19 H ALA 19 -1.696 -2.999 -4.769 106 HA ALA 19 HA ALA 19 -1.034 -0.965 -6.645 107 HB1 ALA 19 3HB ALA 19 -2.143 -0.358 -3.937 108 HB2 ALA 19 1HB ALA 19 -2.500 0.397 -5.491 109 HB3 ALA 19 2HB ALA 19 -3.126 -1.212 -5.126 110 H ARG 20 H ARG 20 -0.380 1.286 -5.544 111 HA ARG 20 HA ARG 20 1.795 0.980 -3.646 112 HB2 ARG 20 1HB ARG 20 2.205 1.768 -6.520 113 HB3 ARG 20 2HB ARG 20 3.308 2.307 -5.260 114 HG2 ARG 20 1HG ARG 20 3.975 0.097 -4.764 115 HG3 ARG 20 2HG ARG 20 2.658 -0.589 -5.717 116 HD2 ARG 20 1HD ARG 20 4.984 1.000 -6.795 117 HD3 ARG 20 2HD ARG 20 4.796 -0.750 -6.893 118 HE ARG 20 HE ARG 20 2.616 0.724 -8.052 119 HH11 ARG 20 1HH1 ARG 20 5.767 -0.649 -8.603 120 HH12 ARG 20 2HH1 ARG 20 5.553 -0.783 -10.317 121 HH21 ARG 20 1HH2 ARG 20 2.322 0.554 -10.308 122 HH22 ARG 20 2HH2 ARG 20 3.593 -0.097 -11.286 123 H PHE 21 H PHE 21 2.631 3.042 -2.890 124 HA PHE 21 HA PHE 21 1.256 5.460 -3.644 125 HB2 PHE 21 1HB PHE 21 0.922 4.525 -0.796 126 HB3 PHE 21 2HB PHE 21 0.148 5.896 -1.584 127 HD1 PHE 21 HD2 PHE 21 0.368 2.186 -1.742 128 HD2 PHE 21 HD1 PHE 21 -1.974 5.665 -2.469 129 HE1 PHE 21 HE2 PHE 21 -1.560 0.766 -2.306 130 HE2 PHE 21 HE1 PHE 21 -3.907 4.251 -3.033 131 HZ PHE 21 HZ PHE 21 -3.701 1.798 -2.953 132 H VAL 22 H VAL 22 2.085 7.354 -2.496 133 HA VAL 22 HA VAL 22 4.918 7.109 -2.044 134 HB VAL 22 HB VAL 22 4.348 9.047 -3.227 135 HG11 VAL 22 1HG1 VAL 22 2.051 9.289 -2.975 136 HG12 VAL 22 2HG1 VAL 22 2.149 9.338 -1.213 137 HG13 VAL 22 3HG1 VAL 22 2.691 10.720 -2.167 138 HG21 VAL 22 3HG2 VAL 22 5.978 9.419 -1.395 139 HG22 VAL 22 1HG2 VAL 22 5.086 10.874 -1.840 140 HG23 VAL 22 2HG2 VAL 22 4.655 9.988 -0.377 141 H GLN 23 H GLN 23 2.052 7.755 -0.104 142 HA GLN 23 HA GLN 23 3.735 7.586 2.309 143 HB2 GLN 23 1HB GLN 23 1.479 9.418 1.630 144 HB3 GLN 23 2HB GLN 23 1.669 8.911 3.304 145 HG2 GLN 23 1HG GLN 23 4.011 10.004 1.815 146 HG3 GLN 23 2HG GLN 23 2.788 11.098 2.460 147 HE21 GLN 23 1HE2 GLN 23 4.125 12.023 3.969 148 HE22 GLN 23 2HE2 GLN 23 4.707 11.177 5.358 149 H VAL 24 H VAL 24 3.011 6.327 3.997 150 HA VAL 24 HA VAL 24 1.482 4.076 3.415 151 HB VAL 24 HB VAL 24 3.108 4.634 5.427 152 HG11 VAL 24 1HG1 VAL 24 0.405 4.970 6.717 153 HG12 VAL 24 2HG1 VAL 24 1.981 5.015 7.509 154 HG13 VAL 24 3HG1 VAL 24 1.519 6.296 6.386 155 HG21 VAL 24 3HG2 VAL 24 1.255 2.790 6.546 156 HG22 VAL 24 1HG2 VAL 24 1.287 2.556 4.799 157 HG23 VAL 24 2HG2 VAL 24 2.782 2.458 5.728 158 H ALA 25 H ALA 25 0.552 7.112 4.970 159 HA ALA 25 HA ALA 25 -1.957 6.527 5.901 160 HB1 ALA 25 3HB ALA 25 -2.027 8.715 6.281 161 HB2 ALA 25 1HB ALA 25 -0.487 8.846 5.430 162 HB3 ALA 25 2HB ALA 25 -2.001 9.077 4.555 163 H HIS 26 H HIS 26 -0.915 6.828 2.595 164 HA HIS 26 HA HIS 26 -3.606 6.946 1.539 165 HB2 HIS 26 1HB HIS 26 -1.074 6.421 -0.016 166 HB3 HIS 26 2HB HIS 26 -2.596 7.071 -0.616 167 HD1 HIS 26 HD1 HIS 26 -0.576 8.866 -1.437 168 HD2 HIS 26 HD2 HIS 26 -1.898 8.983 2.500 169 HE1 HIS 26 HE1 HIS 26 0.079 11.136 -0.575 170 H LEU 27 H LEU 27 -0.924 4.604 1.474 171 HA LEU 27 HA LEU 27 -2.313 2.557 0.152 172 HB2 LEU 27 1HB LEU 27 0.006 2.333 0.227 173 HB3 LEU 27 2HB LEU 27 0.069 2.612 1.967 174 HG LEU 27 HG LEU 27 -0.888 0.393 2.357 175 HD11 LEU 27 1HD1 LEU 27 -2.164 0.314 0.208 176 HD12 LEU 27 2HD1 LEU 27 -1.281 -1.162 0.596 177 HD13 LEU 27 3HD1 LEU 27 -0.644 -0.046 -0.612 178 HD21 LEU 27 3HD2 LEU 27 1.553 0.491 0.594 179 HD22 LEU 27 1HD2 LEU 27 1.046 -0.935 1.499 180 HD23 LEU 27 2HD2 LEU 27 1.496 0.539 2.357 181 H ARG 28 H ARG 28 -1.662 2.950 3.637 182 HA ARG 28 HA ARG 28 -3.142 0.760 4.521 183 HB2 ARG 28 1HB ARG 28 -2.978 1.673 6.689 184 HB3 ARG 28 2HB ARG 28 -1.537 2.230 5.849 185 HG2 ARG 28 1HG ARG 28 -2.654 4.391 5.434 186 HG3 ARG 28 2HG ARG 28 -4.036 3.824 6.374 187 HD2 ARG 28 1HD ARG 28 -1.233 3.937 7.465 188 HD3 ARG 28 2HD ARG 28 -2.377 5.270 7.610 189 HE ARG 28 HE ARG 28 -3.553 4.065 9.189 190 HH11 ARG 28 1HH1 ARG 28 -1.124 2.059 7.708 191 HH12 ARG 28 2HH1 ARG 28 -1.287 0.781 8.866 192 HH21 ARG 28 1HH2 ARG 28 -3.777 2.390 10.720 193 HH22 ARG 28 2HH2 ARG 28 -2.796 0.970 10.579 194 H ALA 29 H ALA 29 -4.193 3.762 3.252 195 HA ALA 29 HA ALA 29 -6.859 3.536 4.414 196 HB1 ALA 29 3HB ALA 29 -6.379 5.758 4.401 197 HB2 ALA 29 1HB ALA 29 -5.360 5.644 2.965 198 HB3 ALA 29 2HB ALA 29 -7.117 5.636 2.804 199 H HIS 30 H HIS 30 -5.185 2.487 1.675 200 HA HIS 30 HA HIS 30 -7.608 2.329 0.035 201 HB2 HIS 30 1HB HIS 30 -5.955 3.067 -1.383 202 HB3 HIS 30 2HB HIS 30 -4.684 2.197 -0.529 203 HD1 HIS 30 HD1 HIS 30 -7.053 1.910 -3.350 204 HD2 HIS 30 HD2 HIS 30 -4.440 -0.552 -1.259 205 HE1 HIS 30 HE1 HIS 30 -6.787 -0.148 -4.770 206 H VAL 31 H VAL 31 -5.257 0.346 1.713 207 HA VAL 31 HA VAL 31 -5.992 -2.156 0.652 208 HB VAL 31 HB VAL 31 -5.146 -2.923 3.043 209 HG11 VAL 31 1HG1 VAL 31 -4.030 -3.204 0.823 210 HG12 VAL 31 2HG1 VAL 31 -3.248 -1.644 1.083 211 HG13 VAL 31 3HG1 VAL 31 -2.921 -2.989 2.176 212 HG21 VAL 31 3HG2 VAL 31 -3.540 -0.462 2.998 213 HG22 VAL 31 1HG2 VAL 31 -5.216 -0.254 3.505 214 HG23 VAL 31 2HG2 VAL 31 -4.169 -1.384 4.364 215 H LEU 32 H LEU 32 -7.583 -0.066 2.845 216 HA LEU 32 HA LEU 32 -9.064 -1.981 4.319 217 HB2 LEU 32 1HB LEU 32 -9.872 0.848 3.677 218 HB3 LEU 32 2HB LEU 32 -10.439 -0.144 5.019 219 HG LEU 32 HG LEU 32 -7.610 0.856 4.696 220 HD11 LEU 32 1HD1 LEU 32 -8.093 2.525 6.294 221 HD12 LEU 32 2HD1 LEU 32 -9.684 1.845 6.636 222 HD13 LEU 32 3HD1 LEU 32 -9.372 2.622 5.084 223 HD21 LEU 32 3HD2 LEU 32 -8.299 -1.303 6.062 224 HD22 LEU 32 1HD2 LEU 32 -8.760 -0.097 7.264 225 HD23 LEU 32 2HD2 LEU 32 -7.100 -0.162 6.672 226 H ILE 33 H ILE 33 -9.321 -0.791 1.119 227 HA ILE 33 HA ILE 33 -12.065 -1.039 0.635 228 HB ILE 33 HB ILE 33 -11.542 -1.168 -1.699 229 HG12 ILE 33 1HG1 ILE 33 -8.801 -1.991 -0.749 230 HG13 ILE 33 2HG1 ILE 33 -9.893 -2.875 -1.809 231 HG21 ILE 33 1HG2 ILE 33 -9.761 0.610 -0.074 232 HG22 ILE 33 2HG2 ILE 33 -9.742 0.668 -1.836 233 HG23 ILE 33 3HG2 ILE 33 -11.231 1.016 -0.959 234 HD11 ILE 33 3HD1 ILE 33 -8.165 -0.519 -2.418 235 HD12 ILE 33 1HD1 ILE 33 -8.294 -2.064 -3.259 236 HD13 ILE 33 2HD1 ILE 33 -9.585 -0.870 -3.403 237 H HIS 34 H HIS 34 -9.460 -3.435 0.375 238 HA HIS 34 HA HIS 34 -11.214 -5.533 -0.479 239 HB2 HIS 34 1HB HIS 34 -8.510 -5.996 0.745 240 HB3 HIS 34 2HB HIS 34 -9.319 -6.911 -0.523 241 HD1 HIS 34 HD1 HIS 34 -9.262 -5.893 -2.933 242 HD2 HIS 34 HD2 HIS 34 -7.000 -3.838 -0.119 243 HE1 HIS 34 HE1 HIS 34 -7.766 -4.367 -4.258 244 H THR 35 H THR 35 -9.264 -5.186 2.491 245 HA THR 35 HA THR 35 -10.683 -7.193 3.897 246 HB THR 35 HB THR 35 -8.359 -6.452 4.451 247 HG1 THR 35 HG1 THR 35 -9.246 -7.625 6.057 248 HG21 THR 35 3HG2 THR 35 -8.069 -4.478 5.869 249 HG22 THR 35 1HG2 THR 35 -9.781 -4.093 5.693 250 HG23 THR 35 2HG2 THR 35 -8.715 -4.033 4.289 251 H GLY 36 H GLY 36 -12.326 -7.076 5.379 252 HA2 GLY 36 1HA GLY 36 -13.337 -4.981 6.774 253 HA3 GLY 36 2HA GLY 36 -14.055 -4.775 5.183 254 H SER 37 H SER 37 -16.141 -5.287 5.524 255 HA SER 37 HA SER 37 -16.808 -7.673 7.063 256 HB2 SER 37 1HB SER 37 -18.654 -5.634 5.799 257 HB3 SER 37 2HB SER 37 -19.109 -6.885 6.956 258 HG SER 37 HG SER 37 -18.290 -5.735 8.542 259 H GLY 38 H GLY 38 -15.505 -8.429 4.835 260 HA2 GLY 38 1HA GLY 38 -15.655 -9.782 2.987 261 HA3 GLY 38 2HA GLY 38 -17.232 -10.240 3.611 262 HA PRO 39 HA PRO 39 -17.748 -6.552 0.470 263 HB2 PRO 39 1HB PRO 39 -15.753 -6.385 -1.363 264 HB3 PRO 39 2HB PRO 39 -15.741 -5.479 0.155 265 HG2 PRO 39 1HG PRO 39 -14.337 -8.030 -0.540 266 HG3 PRO 39 2HG PRO 39 -13.726 -6.623 0.349 267 HD2 PRO 39 1HD PRO 39 -14.565 -8.879 1.590 268 HD3 PRO 39 2HD PRO 39 -14.739 -7.268 2.316 269 H SER 40 H SER 40 -17.898 -6.578 -2.072 270 HA SER 40 HA SER 40 -18.718 -9.296 -2.794 271 HB2 SER 40 1HB SER 40 -19.970 -8.135 -4.641 272 HB3 SER 40 2HB SER 40 -20.476 -7.668 -3.017 273 HG SER 40 HG SER 40 -19.870 -6.022 -4.842 274 H SER 41 H SER 41 -16.857 -10.265 -3.501 275 HA SER 41 HA SER 41 -14.739 -9.319 -4.879 276 HB2 SER 41 1HB SER 41 -16.158 -11.935 -5.438 277 HB3 SER 41 2HB SER 41 -14.502 -11.555 -5.912 278 HG SER 41 HG SER 41 -14.894 -11.072 -3.282 279 H GLY 42 H GLY 42 -17.640 -10.632 -6.499 280 HA2 GLY 42 1HA GLY 42 -17.189 -8.702 -8.673 281 HA3 GLY 42 2HA GLY 42 -17.362 -10.407 -9.061 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -7.179 -5.298 -18.615 2 HA2 GLY 1 1HA GLY 1 -5.342 -4.787 -17.143 3 HA3 GLY 1 2HA GLY 1 -4.344 -5.892 -18.077 4 H SER 2 H SER 2 -4.665 -2.771 -17.389 5 HA SER 2 HA SER 2 -3.563 -1.950 -19.984 6 HB2 SER 2 1HB SER 2 -4.794 0.179 -19.854 7 HB3 SER 2 2HB SER 2 -5.899 -1.194 -19.913 8 HG SER 2 HG SER 2 -6.065 0.650 -18.208 9 H SER 3 H SER 3 -4.024 -1.074 -16.575 10 HA SER 3 HA SER 3 -1.662 0.627 -16.646 11 HB2 SER 3 1HB SER 3 -3.672 0.031 -14.466 12 HB3 SER 3 2HB SER 3 -2.276 1.086 -14.248 13 HG SER 3 HG SER 3 -3.977 1.563 -16.415 14 H GLY 4 H GLY 4 0.271 -0.267 -16.394 15 HA2 GLY 4 1HA GLY 4 0.611 -2.307 -14.307 16 HA3 GLY 4 2HA GLY 4 1.187 -2.654 -15.931 17 H SER 5 H SER 5 3.239 -2.189 -16.346 18 HA SER 5 HA SER 5 4.921 -1.026 -14.394 19 HB2 SER 5 1HB SER 5 5.445 -2.678 -16.382 20 HB3 SER 5 2HB SER 5 5.760 -1.184 -17.264 21 HG SER 5 HG SER 5 7.613 -1.143 -16.298 22 H SER 6 H SER 6 4.675 1.053 -13.848 23 HA SER 6 HA SER 6 4.303 3.050 -15.964 24 HB2 SER 6 1HB SER 6 3.878 3.162 -12.974 25 HB3 SER 6 2HB SER 6 3.793 4.586 -14.011 26 HG SER 6 HG SER 6 1.990 2.549 -13.672 27 H GLY 7 H GLY 7 6.241 2.517 -13.020 28 HA2 GLY 7 1HA GLY 7 8.556 2.879 -12.828 29 HA3 GLY 7 2HA GLY 7 8.518 3.779 -14.337 30 H GLY 8 H GLY 8 7.464 3.959 -10.946 31 HA2 GLY 8 1HA GLY 8 8.040 6.853 -11.054 32 HA3 GLY 8 2HA GLY 8 6.590 6.244 -10.270 33 H GLU 9 H GLU 9 6.956 6.811 -8.191 34 HA GLU 9 HA GLU 9 9.117 5.407 -6.821 35 HB2 GLU 9 1HB GLU 9 9.529 7.565 -5.482 36 HB3 GLU 9 2HB GLU 9 10.230 7.445 -7.089 37 HG2 GLU 9 1HG GLU 9 8.612 8.889 -8.012 38 HG3 GLU 9 2HG GLU 9 7.596 8.788 -6.575 39 H LYS 10 H LYS 10 7.993 4.186 -5.450 40 HA LYS 10 HA LYS 10 6.315 5.467 -3.472 41 HB2 LYS 10 1HB LYS 10 5.176 3.250 -5.181 42 HB3 LYS 10 2HB LYS 10 4.366 4.076 -3.856 43 HG2 LYS 10 1HG LYS 10 4.542 6.191 -5.176 44 HG3 LYS 10 2HG LYS 10 5.139 5.224 -6.527 45 HD2 LYS 10 1HD LYS 10 3.105 4.247 -6.904 46 HD3 LYS 10 2HD LYS 10 2.606 4.382 -5.216 47 HE2 LYS 10 1HE LYS 10 1.264 5.977 -6.154 48 HE3 LYS 10 2HE LYS 10 2.673 6.960 -5.761 49 HZ1 LYS 10 3HZ LYS 10 1.932 7.407 -7.998 50 HZ2 LYS 10 1HZ LYS 10 2.057 5.771 -8.412 51 HZ3 LYS 10 2HZ LYS 10 3.449 6.660 -8.045 52 HA PRO 11 HA PRO 11 8.682 2.265 -1.391 53 HB2 PRO 11 1HB PRO 11 8.182 3.198 1.109 54 HB3 PRO 11 2HB PRO 11 9.403 3.907 0.045 55 HG2 PRO 11 1HG PRO 11 6.609 4.829 0.602 56 HG3 PRO 11 2HG PRO 11 8.098 5.784 0.472 57 HD2 PRO 11 1HD PRO 11 6.305 5.599 -1.548 58 HD3 PRO 11 2HD PRO 11 8.048 5.782 -1.832 59 H TYR 12 H TYR 12 5.444 3.345 -0.406 60 HA TYR 12 HA TYR 12 4.870 0.818 0.878 61 HB2 TYR 12 1HB TYR 12 2.952 3.079 0.296 62 HB3 TYR 12 2HB TYR 12 2.756 1.791 1.480 63 HD1 TYR 12 HD1 TYR 12 4.065 1.808 3.562 64 HD2 TYR 12 HD2 TYR 12 4.309 5.006 0.766 65 HE1 TYR 12 HE1 TYR 12 5.110 3.223 5.281 66 HE2 TYR 12 HE2 TYR 12 5.356 6.430 2.477 67 HH TYR 12 HH TYR 12 5.363 6.508 5.052 68 H LYS 13 H LYS 13 3.849 -0.873 0.008 69 HA LYS 13 HA LYS 13 2.405 -0.516 -2.524 70 HB2 LYS 13 1HB LYS 13 4.525 -1.358 -3.220 71 HB3 LYS 13 2HB LYS 13 4.549 -2.553 -1.931 72 HG2 LYS 13 1HG LYS 13 2.350 -3.377 -3.151 73 HG3 LYS 13 2HG LYS 13 3.119 -2.586 -4.528 74 HD2 LYS 13 1HD LYS 13 5.020 -3.983 -4.392 75 HD3 LYS 13 2HD LYS 13 4.566 -4.571 -2.791 76 HE2 LYS 13 1HE LYS 13 3.865 -6.343 -4.037 77 HE3 LYS 13 2HE LYS 13 2.405 -5.358 -4.111 78 HZ1 LYS 13 3HZ LYS 13 2.601 -5.525 -6.305 79 HZ2 LYS 13 1HZ LYS 13 4.175 -6.139 -6.215 80 HZ3 LYS 13 2HZ LYS 13 3.917 -4.468 -6.197 81 H CYS 14 H CYS 14 0.588 -1.743 -2.761 82 HA CYS 14 HA CYS 14 -0.372 -3.089 -0.377 83 HB2 CYS 14 1HB CYS 14 -1.916 -1.593 -1.463 84 HB3 CYS 14 2HB CYS 14 -1.697 -2.411 -3.007 85 H GLU 15 H GLU 15 0.080 -5.162 -0.069 86 HA GLU 15 HA GLU 15 0.871 -6.895 -2.208 87 HB2 GLU 15 1HB GLU 15 0.224 -7.585 0.664 88 HB3 GLU 15 2HB GLU 15 1.087 -8.603 -0.481 89 HG2 GLU 15 1HG GLU 15 2.792 -6.723 -0.623 90 HG3 GLU 15 2HG GLU 15 2.002 -6.055 0.804 91 H THR 16 H THR 16 -2.083 -6.218 -0.516 92 HA THR 16 HA THR 16 -3.533 -8.547 -0.982 93 HB THR 16 HB THR 16 -4.467 -5.679 -0.842 94 HG1 THR 16 HG1 THR 16 -4.128 -6.094 1.203 95 HG21 THR 16 3HG2 THR 16 -6.063 -8.232 -0.993 96 HG22 THR 16 1HG2 THR 16 -6.168 -6.827 -2.053 97 HG23 THR 16 2HG2 THR 16 -6.722 -6.715 -0.382 98 H CYS 17 H CYS 17 -2.947 -5.773 -3.084 99 HA CYS 17 HA CYS 17 -4.079 -7.326 -5.316 100 HB2 CYS 17 1HB CYS 17 -5.036 -5.354 -6.276 101 HB3 CYS 17 2HB CYS 17 -5.556 -5.418 -4.595 102 H GLY 18 H GLY 18 -1.799 -4.823 -4.297 103 HA2 GLY 18 1HA GLY 18 0.512 -5.173 -5.144 104 HA3 GLY 18 2HA GLY 18 -0.218 -5.414 -6.724 105 H ALA 19 H ALA 19 -1.672 -2.998 -4.795 106 HA ALA 19 HA ALA 19 -1.015 -0.952 -6.662 107 HB1 ALA 19 3HB ALA 19 -2.216 -0.565 -3.929 108 HB2 ALA 19 1HB ALA 19 -2.365 0.487 -5.337 109 HB3 ALA 19 2HB ALA 19 -3.140 -1.097 -5.334 110 H ARG 20 H ARG 20 -0.370 1.294 -5.539 111 HA ARG 20 HA ARG 20 1.797 0.985 -3.636 112 HB2 ARG 20 1HB ARG 20 2.224 1.722 -6.516 113 HB3 ARG 20 2HB ARG 20 3.301 2.334 -5.268 114 HG2 ARG 20 1HG ARG 20 3.894 0.080 -4.624 115 HG3 ARG 20 2HG ARG 20 2.746 -0.578 -5.791 116 HD2 ARG 20 1HD ARG 20 4.677 -0.721 -7.007 117 HD3 ARG 20 2HD ARG 20 4.134 0.888 -7.479 118 HE ARG 20 HE ARG 20 5.700 1.422 -5.368 119 HH11 ARG 20 1HH1 ARG 20 6.193 -0.553 -8.192 120 HH12 ARG 20 2HH1 ARG 20 7.907 -0.299 -8.230 121 HH21 ARG 20 1HH2 ARG 20 7.954 1.763 -5.407 122 HH22 ARG 20 2HH2 ARG 20 8.908 1.017 -6.644 123 H PHE 21 H PHE 21 2.629 3.044 -2.873 124 HA PHE 21 HA PHE 21 1.259 5.463 -3.641 125 HB2 PHE 21 1HB PHE 21 0.926 4.541 -0.789 126 HB3 PHE 21 2HB PHE 21 0.147 5.904 -1.586 127 HD1 PHE 21 HD2 PHE 21 0.389 2.194 -1.752 128 HD2 PHE 21 HD1 PHE 21 -1.983 5.661 -2.439 129 HE1 PHE 21 HE2 PHE 21 -1.534 0.764 -2.307 130 HE2 PHE 21 HE1 PHE 21 -3.911 4.236 -2.994 131 HZ PHE 21 HZ PHE 21 -3.687 1.784 -2.930 132 H VAL 22 H VAL 22 2.090 7.360 -2.503 133 HA VAL 22 HA VAL 22 4.922 7.119 -2.051 134 HB VAL 22 HB VAL 22 4.346 9.055 -3.234 135 HG11 VAL 22 1HG1 VAL 22 2.021 9.222 -2.918 136 HG12 VAL 22 2HG1 VAL 22 2.189 9.427 -1.174 137 HG13 VAL 22 3HG1 VAL 22 2.684 10.720 -2.266 138 HG21 VAL 22 3HG2 VAL 22 5.981 9.428 -1.406 139 HG22 VAL 22 1HG2 VAL 22 5.088 10.883 -1.850 140 HG23 VAL 22 2HG2 VAL 22 4.661 9.998 -0.385 141 H GLN 23 H GLN 23 2.058 7.765 -0.106 142 HA GLN 23 HA GLN 23 3.745 7.598 2.304 143 HB2 GLN 23 1HB GLN 23 1.489 9.429 1.625 144 HB3 GLN 23 2HB GLN 23 1.674 8.920 3.299 145 HG2 GLN 23 1HG GLN 23 3.997 10.042 1.792 146 HG3 GLN 23 2HG GLN 23 2.787 11.108 2.505 147 HE21 GLN 23 1HE2 GLN 23 4.206 11.988 3.980 148 HE22 GLN 23 2HE2 GLN 23 4.813 11.105 5.335 149 H VAL 24 H VAL 24 3.036 6.327 3.985 150 HA VAL 24 HA VAL 24 1.501 4.080 3.406 151 HB VAL 24 HB VAL 24 3.140 4.632 5.409 152 HG11 VAL 24 1HG1 VAL 24 0.450 4.950 6.728 153 HG12 VAL 24 2HG1 VAL 24 2.037 5.016 7.497 154 HG13 VAL 24 3HG1 VAL 24 1.544 6.288 6.379 155 HG21 VAL 24 3HG2 VAL 24 2.814 2.445 5.627 156 HG22 VAL 24 1HG2 VAL 24 1.362 2.779 6.571 157 HG23 VAL 24 2HG2 VAL 24 1.249 2.568 4.824 158 H ALA 25 H ALA 25 0.582 7.117 4.962 159 HA ALA 25 HA ALA 25 -1.922 6.528 5.912 160 HB1 ALA 25 3HB ALA 25 -1.674 9.097 4.465 161 HB2 ALA 25 1HB ALA 25 -2.234 8.764 6.104 162 HB3 ALA 25 2HB ALA 25 -0.506 8.784 5.750 163 H HIS 26 H HIS 26 -0.899 6.840 2.602 164 HA HIS 26 HA HIS 26 -3.594 6.968 1.561 165 HB2 HIS 26 1HB HIS 26 -1.071 6.437 -0.007 166 HB3 HIS 26 2HB HIS 26 -2.595 7.091 -0.601 167 HD1 HIS 26 HD1 HIS 26 -0.502 8.851 -1.402 168 HD2 HIS 26 HD2 HIS 26 -1.952 9.030 2.487 169 HE1 HIS 26 HE1 HIS 26 0.143 11.126 -0.548 170 H LEU 27 H LEU 27 -0.920 4.616 1.470 171 HA LEU 27 HA LEU 27 -2.319 2.577 0.152 172 HB2 LEU 27 1HB LEU 27 0.003 2.354 0.233 173 HB3 LEU 27 2HB LEU 27 0.057 2.609 1.976 174 HG LEU 27 HG LEU 27 -0.883 0.392 2.345 175 HD11 LEU 27 1HD1 LEU 27 -1.337 -1.136 0.578 176 HD12 LEU 27 2HD1 LEU 27 -0.714 -0.016 -0.633 177 HD13 LEU 27 3HD1 LEU 27 -2.210 0.355 0.223 178 HD21 LEU 27 3HD2 LEU 27 1.490 0.486 2.306 179 HD22 LEU 27 1HD2 LEU 27 1.525 0.523 0.544 180 HD23 LEU 27 2HD2 LEU 27 1.018 -0.942 1.384 181 H ARG 28 H ARG 28 -1.675 2.970 3.638 182 HA ARG 28 HA ARG 28 -3.150 0.782 4.526 183 HB2 ARG 28 1HB ARG 28 -3.000 1.705 6.688 184 HB3 ARG 28 2HB ARG 28 -1.563 2.277 5.852 185 HG2 ARG 28 1HG ARG 28 -2.655 4.430 5.452 186 HG3 ARG 28 2HG ARG 28 -4.088 3.853 6.306 187 HD2 ARG 28 1HD ARG 28 -2.285 3.349 8.190 188 HD3 ARG 28 2HD ARG 28 -1.430 4.649 7.361 189 HE ARG 28 HE ARG 28 -2.945 6.138 8.210 190 HH11 ARG 28 1HH1 ARG 28 -4.218 2.913 8.526 191 HH12 ARG 28 2HH1 ARG 28 -5.578 3.403 9.481 192 HH21 ARG 28 1HH2 ARG 28 -4.732 6.795 9.466 193 HH22 ARG 28 2HH2 ARG 28 -5.870 5.611 10.014 194 H ALA 29 H ALA 29 -4.210 3.790 3.260 195 HA ALA 29 HA ALA 29 -6.881 3.548 4.398 196 HB1 ALA 29 3HB ALA 29 -7.251 5.652 2.966 197 HB2 ALA 29 1HB ALA 29 -6.193 5.772 4.372 198 HB3 ALA 29 2HB ALA 29 -5.500 5.640 2.755 199 H HIS 30 H HIS 30 -5.190 2.481 1.679 200 HA HIS 30 HA HIS 30 -7.602 2.307 0.024 201 HB2 HIS 30 1HB HIS 30 -5.936 3.037 -1.385 202 HB3 HIS 30 2HB HIS 30 -4.673 2.167 -0.518 203 HD1 HIS 30 HD1 HIS 30 -7.007 1.883 -3.364 204 HD2 HIS 30 HD2 HIS 30 -4.452 -0.596 -1.221 205 HE1 HIS 30 HE1 HIS 30 -6.743 -0.187 -4.768 206 H VAL 31 H VAL 31 -5.260 0.340 1.735 207 HA VAL 31 HA VAL 31 -5.985 -2.171 0.691 208 HB VAL 31 HB VAL 31 -5.162 -2.909 3.105 209 HG11 VAL 31 1HG1 VAL 31 -2.962 -3.057 2.242 210 HG12 VAL 31 2HG1 VAL 31 -4.047 -3.187 0.856 211 HG13 VAL 31 3HG1 VAL 31 -3.208 -1.670 1.182 212 HG21 VAL 31 3HG2 VAL 31 -4.158 -1.354 4.394 213 HG22 VAL 31 1HG2 VAL 31 -3.559 -0.441 3.009 214 HG23 VAL 31 2HG2 VAL 31 -5.229 -0.243 3.540 215 H LEU 32 H LEU 32 -7.601 -0.063 2.846 216 HA LEU 32 HA LEU 32 -9.094 -1.971 4.320 217 HB2 LEU 32 1HB LEU 32 -9.923 0.846 3.665 218 HB3 LEU 32 2HB LEU 32 -10.449 -0.138 5.029 219 HG LEU 32 HG LEU 32 -7.642 0.899 4.639 220 HD11 LEU 32 1HD1 LEU 32 -8.592 2.163 6.827 221 HD12 LEU 32 2HD1 LEU 32 -10.049 2.091 5.836 222 HD13 LEU 32 3HD1 LEU 32 -8.591 2.856 5.205 223 HD21 LEU 32 3HD2 LEU 32 -7.226 -0.769 6.087 224 HD22 LEU 32 1HD2 LEU 32 -8.921 -0.938 6.541 225 HD23 LEU 32 2HD2 LEU 32 -7.935 0.328 7.273 226 H ILE 33 H ILE 33 -9.290 -0.859 1.104 227 HA ILE 33 HA ILE 33 -12.045 -1.089 0.604 228 HB ILE 33 HB ILE 33 -11.503 -1.211 -1.725 229 HG12 ILE 33 1HG1 ILE 33 -8.763 -2.021 -0.759 230 HG13 ILE 33 2HG1 ILE 33 -9.848 -2.915 -1.819 231 HG21 ILE 33 1HG2 ILE 33 -9.762 0.576 -0.074 232 HG22 ILE 33 2HG2 ILE 33 -9.686 0.624 -1.835 233 HG23 ILE 33 3HG2 ILE 33 -11.204 0.974 -1.008 234 HD11 ILE 33 3HD1 ILE 33 -8.286 -2.112 -3.293 235 HD12 ILE 33 1HD1 ILE 33 -9.540 -0.877 -3.399 236 HD13 ILE 33 2HD1 ILE 33 -8.096 -0.586 -2.430 237 H HIS 34 H HIS 34 -9.426 -3.470 0.393 238 HA HIS 34 HA HIS 34 -11.173 -5.579 -0.471 239 HB2 HIS 34 1HB HIS 34 -8.452 -6.021 0.726 240 HB3 HIS 34 2HB HIS 34 -9.270 -6.946 -0.531 241 HD1 HIS 34 HD1 HIS 34 -9.257 -5.924 -2.943 242 HD2 HIS 34 HD2 HIS 34 -6.958 -3.864 -0.161 243 HE1 HIS 34 HE1 HIS 34 -7.785 -4.392 -4.289 244 H THR 35 H THR 35 -9.147 -5.317 2.455 245 HA THR 35 HA THR 35 -10.365 -7.329 3.911 246 HB THR 35 HB THR 35 -8.259 -6.263 4.600 247 HG1 THR 35 HG1 THR 35 -8.681 -6.453 6.771 248 HG21 THR 35 3HG2 THR 35 -10.039 -3.943 5.352 249 HG22 THR 35 1HG2 THR 35 -8.759 -3.944 4.140 250 HG23 THR 35 2HG2 THR 35 -8.356 -4.117 5.849 251 H GLY 36 H GLY 36 -11.270 -3.931 3.612 252 HA2 GLY 36 1HA GLY 36 -13.278 -2.890 4.044 253 HA3 GLY 36 2HA GLY 36 -13.978 -4.480 4.308 254 H SER 37 H SER 37 -15.006 -2.736 5.907 255 HA SER 37 HA SER 37 -13.478 -2.339 8.319 256 HB2 SER 37 1HB SER 37 -15.519 -1.285 9.184 257 HB3 SER 37 2HB SER 37 -15.127 -0.664 7.580 258 HG SER 37 HG SER 37 -16.649 -2.647 7.057 259 H GLY 38 H GLY 38 -14.870 -2.853 10.437 260 HA2 GLY 38 1HA GLY 38 -14.612 -5.489 11.045 261 HA3 GLY 38 2HA GLY 38 -15.791 -4.448 11.828 262 HA PRO 39 HA PRO 39 -17.691 -7.769 8.887 263 HB2 PRO 39 1HB PRO 39 -17.844 -9.932 10.519 264 HB3 PRO 39 2HB PRO 39 -16.478 -9.640 9.437 265 HG2 PRO 39 1HG PRO 39 -16.720 -9.095 12.370 266 HG3 PRO 39 2HG PRO 39 -15.359 -9.790 11.470 267 HD2 PRO 39 1HD PRO 39 -15.419 -7.197 12.250 268 HD3 PRO 39 2HD PRO 39 -14.615 -7.728 10.759 269 H SER 40 H SER 40 -18.110 -7.792 12.433 270 HA SER 40 HA SER 40 -20.773 -6.730 12.210 271 HB2 SER 40 1HB SER 40 -20.990 -9.233 11.742 272 HB3 SER 40 2HB SER 40 -20.532 -9.483 13.426 273 HG SER 40 HG SER 40 -22.922 -8.801 12.411 274 H SER 41 H SER 41 -21.847 -6.853 14.507 275 HA SER 41 HA SER 41 -20.010 -5.577 16.296 276 HB2 SER 41 1HB SER 41 -22.519 -5.061 15.959 277 HB3 SER 41 2HB SER 41 -22.803 -6.430 17.034 278 HG SER 41 HG SER 41 -21.087 -5.139 18.348 279 H GLY 42 H GLY 42 -18.774 -6.520 17.774 280 HA2 GLY 42 1HA GLY 42 -19.267 -8.202 19.754 281 HA3 GLY 42 2HA GLY 42 -19.222 -9.335 18.412 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.358 7.910 -16.068 2 HA2 GLY 1 1HA GLY 1 -6.738 10.308 -16.572 3 HA3 GLY 1 2HA GLY 1 -7.249 9.728 -14.994 4 H SER 2 H SER 2 -6.362 7.439 -14.489 5 HA SER 2 HA SER 2 -3.611 7.600 -14.211 6 HB2 SER 2 1HB SER 2 -5.558 5.322 -14.029 7 HB3 SER 2 2HB SER 2 -3.828 5.018 -13.871 8 HG SER 2 HG SER 2 -4.334 7.077 -12.341 9 H SER 3 H SER 3 -5.452 5.630 -16.538 10 HA SER 3 HA SER 3 -4.770 4.482 -18.402 11 HB2 SER 3 1HB SER 3 -4.956 6.814 -19.210 12 HB3 SER 3 2HB SER 3 -3.252 7.066 -18.836 13 HG SER 3 HG SER 3 -2.712 5.557 -20.394 14 H GLY 4 H GLY 4 -3.251 3.725 -16.205 15 HA2 GLY 4 1HA GLY 4 -1.435 2.093 -16.489 16 HA3 GLY 4 2HA GLY 4 -0.606 3.305 -17.454 17 H SER 5 H SER 5 1.028 4.238 -16.442 18 HA SER 5 HA SER 5 1.005 4.329 -13.509 19 HB2 SER 5 1HB SER 5 3.443 4.652 -13.687 20 HB3 SER 5 2HB SER 5 2.925 3.189 -14.525 21 HG SER 5 HG SER 5 3.167 4.223 -16.466 22 H SER 6 H SER 6 1.417 6.221 -12.380 23 HA SER 6 HA SER 6 1.126 8.691 -13.958 24 HB2 SER 6 1HB SER 6 -0.695 7.976 -12.261 25 HB3 SER 6 2HB SER 6 0.466 8.472 -11.029 26 HG SER 6 HG SER 6 -0.698 10.269 -11.445 27 H GLY 7 H GLY 7 2.407 7.676 -10.780 28 HA2 GLY 7 1HA GLY 7 4.424 9.777 -10.941 29 HA3 GLY 7 2HA GLY 7 4.083 8.765 -9.546 30 H GLY 8 H GLY 8 5.601 7.333 -9.056 31 HA2 GLY 8 1HA GLY 8 6.776 5.511 -10.785 32 HA3 GLY 8 2HA GLY 8 7.850 6.901 -10.739 33 H GLU 9 H GLU 9 7.693 7.686 -8.123 34 HA GLU 9 HA GLU 9 9.072 5.472 -6.806 35 HB2 GLU 9 1HB GLU 9 9.724 7.281 -5.153 36 HB3 GLU 9 2HB GLU 9 10.351 7.463 -6.785 37 HG2 GLU 9 1HG GLU 9 8.804 9.176 -7.291 38 HG3 GLU 9 2HG GLU 9 7.865 8.852 -5.835 39 H LYS 10 H LYS 10 8.127 4.296 -5.286 40 HA LYS 10 HA LYS 10 6.274 5.451 -3.407 41 HB2 LYS 10 1HB LYS 10 5.306 3.254 -5.245 42 HB3 LYS 10 2HB LYS 10 4.406 3.971 -3.915 43 HG2 LYS 10 1HG LYS 10 4.561 6.165 -5.130 44 HG3 LYS 10 2HG LYS 10 5.203 5.267 -6.507 45 HD2 LYS 10 1HD LYS 10 3.202 4.175 -6.894 46 HD3 LYS 10 2HD LYS 10 2.642 4.398 -5.235 47 HE2 LYS 10 1HE LYS 10 1.373 5.818 -6.724 48 HE3 LYS 10 2HE LYS 10 2.386 6.809 -5.676 49 HZ1 LYS 10 3HZ LYS 10 3.004 6.081 -8.489 50 HZ2 LYS 10 1HZ LYS 10 3.974 7.034 -7.482 51 HZ3 LYS 10 2HZ LYS 10 2.450 7.589 -7.959 52 HA PRO 11 HA PRO 11 8.700 2.256 -1.348 53 HB2 PRO 11 1HB PRO 11 8.220 3.196 1.153 54 HB3 PRO 11 2HB PRO 11 9.440 3.895 0.081 55 HG2 PRO 11 1HG PRO 11 6.656 4.837 0.652 56 HG3 PRO 11 2HG PRO 11 8.150 5.782 0.513 57 HD2 PRO 11 1HD PRO 11 6.345 5.607 -1.498 58 HD3 PRO 11 2HD PRO 11 8.088 5.777 -1.791 59 H TYR 12 H TYR 12 5.449 3.340 -0.440 60 HA TYR 12 HA TYR 12 4.870 0.830 0.889 61 HB2 TYR 12 1HB TYR 12 2.965 3.097 0.287 62 HB3 TYR 12 2HB TYR 12 2.756 1.815 1.475 63 HD1 TYR 12 HD1 TYR 12 4.060 1.832 3.562 64 HD2 TYR 12 HD2 TYR 12 4.325 5.021 0.757 65 HE1 TYR 12 HE1 TYR 12 5.103 3.249 5.280 66 HE2 TYR 12 HE2 TYR 12 5.370 6.446 2.467 67 HH TYR 12 HH TYR 12 5.418 5.620 5.769 68 H LYS 13 H LYS 13 3.871 -0.868 0.013 69 HA LYS 13 HA LYS 13 2.423 -0.518 -2.519 70 HB2 LYS 13 1HB LYS 13 4.535 -1.360 -3.223 71 HB3 LYS 13 2HB LYS 13 4.580 -2.538 -1.918 72 HG2 LYS 13 1HG LYS 13 2.423 -3.460 -3.071 73 HG3 LYS 13 2HG LYS 13 3.055 -2.598 -4.476 74 HD2 LYS 13 1HD LYS 13 4.859 -3.985 -4.685 75 HD3 LYS 13 2HD LYS 13 4.926 -4.338 -2.957 76 HE2 LYS 13 1HE LYS 13 2.831 -5.676 -3.238 77 HE3 LYS 13 2HE LYS 13 2.981 -5.441 -4.979 78 HZ1 LYS 13 3HZ LYS 13 4.694 -7.011 -3.170 79 HZ2 LYS 13 1HZ LYS 13 5.325 -6.412 -4.620 80 HZ3 LYS 13 2HZ LYS 13 4.002 -7.464 -4.645 81 H CYS 14 H CYS 14 0.604 -1.739 -2.748 82 HA CYS 14 HA CYS 14 -0.350 -3.090 -0.363 83 HB2 CYS 14 1HB CYS 14 -1.876 -1.569 -1.473 84 HB3 CYS 14 2HB CYS 14 -1.699 -2.443 -2.991 85 H GLU 15 H GLU 15 0.106 -5.163 -0.064 86 HA GLU 15 HA GLU 15 0.884 -6.892 -2.210 87 HB2 GLU 15 1HB GLU 15 0.249 -7.588 0.662 88 HB3 GLU 15 2HB GLU 15 1.104 -8.605 -0.489 89 HG2 GLU 15 1HG GLU 15 2.809 -6.719 -0.634 90 HG3 GLU 15 2HG GLU 15 2.031 -6.067 0.806 91 H THR 16 H THR 16 -2.061 -6.221 -0.498 92 HA THR 16 HA THR 16 -3.516 -8.545 -0.965 93 HB THR 16 HB THR 16 -4.441 -5.674 -0.815 94 HG1 THR 16 HG1 THR 16 -3.943 -7.721 0.994 95 HG21 THR 16 3HG2 THR 16 -6.044 -8.219 -1.002 96 HG22 THR 16 1HG2 THR 16 -6.154 -6.788 -2.027 97 HG23 THR 16 2HG2 THR 16 -6.700 -6.717 -0.351 98 H CYS 17 H CYS 17 -2.978 -5.748 -3.059 99 HA CYS 17 HA CYS 17 -4.108 -7.305 -5.289 100 HB2 CYS 17 1HB CYS 17 -5.038 -5.309 -6.252 101 HB3 CYS 17 2HB CYS 17 -5.589 -5.412 -4.583 102 H GLY 18 H GLY 18 -1.814 -4.809 -4.283 103 HA2 GLY 18 1HA GLY 18 0.492 -5.167 -5.142 104 HA3 GLY 18 2HA GLY 18 -0.248 -5.405 -6.719 105 H ALA 19 H ALA 19 -1.697 -2.987 -4.795 106 HA ALA 19 HA ALA 19 -1.031 -0.942 -6.660 107 HB1 ALA 19 3HB ALA 19 -2.479 0.432 -5.473 108 HB2 ALA 19 1HB ALA 19 -3.136 -1.180 -5.188 109 HB3 ALA 19 2HB ALA 19 -2.166 -0.390 -3.944 110 H ARG 20 H ARG 20 -0.381 1.303 -5.542 111 HA ARG 20 HA ARG 20 1.782 0.988 -3.634 112 HB2 ARG 20 1HB ARG 20 2.220 1.815 -6.497 113 HB3 ARG 20 2HB ARG 20 3.327 2.289 -5.216 114 HG2 ARG 20 1HG ARG 20 3.911 0.035 -4.766 115 HG3 ARG 20 2HG ARG 20 2.607 -0.571 -5.789 116 HD2 ARG 20 1HD ARG 20 4.965 1.039 -6.758 117 HD3 ARG 20 2HD ARG 20 4.829 -0.716 -6.862 118 HE ARG 20 HE ARG 20 3.553 1.224 -8.551 119 HH11 ARG 20 1HH1 ARG 20 3.383 -2.015 -7.285 120 HH12 ARG 20 2HH1 ARG 20 2.425 -2.617 -8.597 121 HH21 ARG 20 1HH2 ARG 20 2.292 0.443 -10.284 122 HH22 ARG 20 2HH2 ARG 20 1.806 -1.219 -10.303 123 H PHE 21 H PHE 21 2.629 3.054 -2.883 124 HA PHE 21 HA PHE 21 1.254 5.471 -3.636 125 HB2 PHE 21 1HB PHE 21 0.921 4.539 -0.787 126 HB3 PHE 21 2HB PHE 21 0.145 5.908 -1.577 127 HD1 PHE 21 HD2 PHE 21 0.370 2.198 -1.732 128 HD2 PHE 21 HD1 PHE 21 -1.978 5.674 -2.457 129 HE1 PHE 21 HE2 PHE 21 -1.557 0.775 -2.293 130 HE2 PHE 21 HE1 PHE 21 -3.909 4.256 -3.018 131 HZ PHE 21 HZ PHE 21 -3.700 1.804 -2.938 132 H VAL 22 H VAL 22 2.093 7.366 -2.512 133 HA VAL 22 HA VAL 22 4.923 7.120 -2.054 134 HB VAL 22 HB VAL 22 4.352 9.058 -3.236 135 HG11 VAL 22 1HG1 VAL 22 2.699 10.724 -2.024 136 HG12 VAL 22 2HG1 VAL 22 2.103 9.422 -3.055 137 HG13 VAL 22 3HG1 VAL 22 2.101 9.231 -1.301 138 HG21 VAL 22 3HG2 VAL 22 5.979 9.425 -1.394 139 HG22 VAL 22 1HG2 VAL 22 5.099 10.882 -1.856 140 HG23 VAL 22 2HG2 VAL 22 4.653 10.010 -0.389 141 H GLN 23 H GLN 23 2.060 7.757 -0.109 142 HA GLN 23 HA GLN 23 3.747 7.594 2.301 143 HB2 GLN 23 1HB GLN 23 1.479 9.416 1.631 144 HB3 GLN 23 2HB GLN 23 1.687 8.915 3.303 145 HG2 GLN 23 1HG GLN 23 3.998 10.028 1.778 146 HG3 GLN 23 2HG GLN 23 2.783 11.106 2.463 147 HE21 GLN 23 1HE2 GLN 23 4.138 12.026 3.953 148 HE22 GLN 23 2HE2 GLN 23 4.762 11.170 5.318 149 H VAL 24 H VAL 24 3.027 6.337 3.992 150 HA VAL 24 HA VAL 24 1.500 4.081 3.411 151 HB VAL 24 HB VAL 24 3.136 4.638 5.416 152 HG11 VAL 24 1HG1 VAL 24 2.018 5.010 7.504 153 HG12 VAL 24 2HG1 VAL 24 1.551 6.295 6.388 154 HG13 VAL 24 3HG1 VAL 24 0.439 4.966 6.721 155 HG21 VAL 24 3HG2 VAL 24 1.362 2.784 6.580 156 HG22 VAL 24 1HG2 VAL 24 1.246 2.573 4.833 157 HG23 VAL 24 2HG2 VAL 24 2.812 2.450 5.633 158 H ALA 25 H ALA 25 0.575 7.121 4.957 159 HA ALA 25 HA ALA 25 -1.931 6.529 5.905 160 HB1 ALA 25 3HB ALA 25 -0.467 8.837 5.500 161 HB2 ALA 25 1HB ALA 25 -1.922 9.087 4.535 162 HB3 ALA 25 2HB ALA 25 -2.056 8.725 6.256 163 H HIS 26 H HIS 26 -0.899 6.831 2.597 164 HA HIS 26 HA HIS 26 -3.594 6.956 1.550 165 HB2 HIS 26 1HB HIS 26 -1.073 6.425 -0.019 166 HB3 HIS 26 2HB HIS 26 -2.594 7.089 -0.606 167 HD1 HIS 26 HD1 HIS 26 -0.568 8.874 -1.431 168 HD2 HIS 26 HD2 HIS 26 -1.861 8.980 2.515 169 HE1 HIS 26 HE1 HIS 26 0.109 11.135 -0.563 170 H LEU 27 H LEU 27 -0.915 4.610 1.474 171 HA LEU 27 HA LEU 27 -2.306 2.567 0.152 172 HB2 LEU 27 1HB LEU 27 0.013 2.339 0.233 173 HB3 LEU 27 2HB LEU 27 0.071 2.614 1.973 174 HG LEU 27 HG LEU 27 -0.873 0.399 2.365 175 HD11 LEU 27 1HD1 LEU 27 -0.677 -0.048 -0.605 176 HD12 LEU 27 2HD1 LEU 27 -2.182 0.337 0.230 177 HD13 LEU 27 3HD1 LEU 27 -1.315 -1.150 0.616 178 HD21 LEU 27 3HD2 LEU 27 1.040 -0.938 1.449 179 HD22 LEU 27 1HD2 LEU 27 1.504 0.514 2.335 180 HD23 LEU 27 2HD2 LEU 27 1.545 0.507 0.572 181 H ARG 28 H ARG 28 -1.674 2.970 3.639 182 HA ARG 28 HA ARG 28 -3.150 0.778 4.522 183 HB2 ARG 28 1HB ARG 28 -3.004 1.700 6.687 184 HB3 ARG 28 2HB ARG 28 -1.559 2.259 5.854 185 HG2 ARG 28 1HG ARG 28 -2.642 4.419 5.444 186 HG3 ARG 28 2HG ARG 28 -4.071 3.855 6.312 187 HD2 ARG 28 1HD ARG 28 -2.605 3.481 8.305 188 HD3 ARG 28 2HD ARG 28 -1.298 4.264 7.418 189 HE ARG 28 HE ARG 28 -3.572 5.933 7.450 190 HH11 ARG 28 1HH1 ARG 28 -1.052 4.734 9.531 191 HH12 ARG 28 2HH1 ARG 28 -1.079 6.115 10.576 192 HH21 ARG 28 1HH2 ARG 28 -3.617 7.757 8.819 193 HH22 ARG 28 2HH2 ARG 28 -2.539 7.834 10.171 194 H ALA 29 H ALA 29 -4.204 3.778 3.246 195 HA ALA 29 HA ALA 29 -6.875 3.548 4.391 196 HB1 ALA 29 3HB ALA 29 -5.391 5.647 2.903 197 HB2 ALA 29 1HB ALA 29 -7.151 5.635 2.787 198 HB3 ALA 29 2HB ALA 29 -6.371 5.771 4.364 199 H HIS 30 H HIS 30 -5.188 2.473 1.672 200 HA HIS 30 HA HIS 30 -7.600 2.301 0.018 201 HB2 HIS 30 1HB HIS 30 -5.933 3.023 -1.394 202 HB3 HIS 30 2HB HIS 30 -4.673 2.153 -0.524 203 HD1 HIS 30 HD1 HIS 30 -7.003 1.866 -3.371 204 HD2 HIS 30 HD2 HIS 30 -4.461 -0.615 -1.217 205 HE1 HIS 30 HE1 HIS 30 -6.745 -0.208 -4.769 206 H VAL 31 H VAL 31 -5.252 0.327 1.717 207 HA VAL 31 HA VAL 31 -5.984 -2.182 0.684 208 HB VAL 31 HB VAL 31 -5.172 -2.915 3.104 209 HG11 VAL 31 1HG1 VAL 31 -2.910 -2.956 2.265 210 HG12 VAL 31 2HG1 VAL 31 -4.028 -3.305 0.945 211 HG13 VAL 31 3HG1 VAL 31 -3.291 -1.708 1.079 212 HG21 VAL 31 3HG2 VAL 31 -3.554 -0.459 3.009 213 HG22 VAL 31 1HG2 VAL 31 -5.228 -0.244 3.521 214 HG23 VAL 31 2HG2 VAL 31 -4.175 -1.358 4.394 215 H LEU 32 H LEU 32 -7.586 -0.074 2.861 216 HA LEU 32 HA LEU 32 -9.090 -1.973 4.326 217 HB2 LEU 32 1HB LEU 32 -9.892 0.850 3.652 218 HB3 LEU 32 2HB LEU 32 -10.467 -0.130 5.000 219 HG LEU 32 HG LEU 32 -7.641 0.879 4.684 220 HD11 LEU 32 1HD1 LEU 32 -10.059 2.111 5.765 221 HD12 LEU 32 2HD1 LEU 32 -8.521 2.839 5.301 222 HD13 LEU 32 3HD1 LEU 32 -8.699 2.093 6.889 223 HD21 LEU 32 3HD2 LEU 32 -7.097 -0.424 6.399 224 HD22 LEU 32 1HD2 LEU 32 -8.666 -1.210 6.227 225 HD23 LEU 32 2HD2 LEU 32 -8.476 0.145 7.340 226 H ILE 33 H ILE 33 -9.317 -0.799 1.115 227 HA ILE 33 HA ILE 33 -12.049 -1.041 0.598 228 HB ILE 33 HB ILE 33 -11.496 -1.218 -1.729 229 HG12 ILE 33 1HG1 ILE 33 -8.770 -2.034 -0.727 230 HG13 ILE 33 2HG1 ILE 33 -9.855 -2.938 -1.777 231 HG21 ILE 33 1HG2 ILE 33 -9.767 0.588 -0.089 232 HG22 ILE 33 2HG2 ILE 33 -9.646 0.594 -1.847 233 HG23 ILE 33 3HG2 ILE 33 -11.181 0.978 -1.068 234 HD11 ILE 33 3HD1 ILE 33 -9.525 -0.970 -3.413 235 HD12 ILE 33 1HD1 ILE 33 -8.111 -0.606 -2.424 236 HD13 ILE 33 2HD1 ILE 33 -8.243 -2.168 -3.233 237 H HIS 34 H HIS 34 -9.467 -3.467 0.417 238 HA HIS 34 HA HIS 34 -11.236 -5.562 -0.423 239 HB2 HIS 34 1HB HIS 34 -8.547 -6.039 0.827 240 HB3 HIS 34 2HB HIS 34 -9.356 -6.956 -0.441 241 HD1 HIS 34 HD1 HIS 34 -9.260 -5.962 -2.859 242 HD2 HIS 34 HD2 HIS 34 -7.006 -3.904 -0.040 243 HE1 HIS 34 HE1 HIS 34 -7.734 -4.464 -4.182 244 H THR 35 H THR 35 -9.362 -5.074 2.576 245 HA THR 35 HA THR 35 -10.783 -7.084 4.004 246 HB THR 35 HB THR 35 -8.476 -6.388 4.592 247 HG1 THR 35 HG1 THR 35 -8.832 -6.806 6.691 248 HG21 THR 35 3HG2 THR 35 -9.794 -3.916 5.719 249 HG22 THR 35 1HG2 THR 35 -8.809 -3.954 4.258 250 HG23 THR 35 2HG2 THR 35 -8.085 -4.338 5.819 251 H GLY 36 H GLY 36 -12.562 -6.961 5.256 252 HA2 GLY 36 1HA GLY 36 -13.761 -4.284 5.626 253 HA3 GLY 36 2HA GLY 36 -14.713 -5.715 5.256 254 H SER 37 H SER 37 -15.794 -4.768 7.267 255 HA SER 37 HA SER 37 -14.444 -5.614 9.728 256 HB2 SER 37 1HB SER 37 -16.771 -3.792 9.165 257 HB3 SER 37 2HB SER 37 -16.498 -4.439 10.783 258 HG SER 37 HG SER 37 -15.495 -2.369 10.370 259 H GLY 38 H GLY 38 -17.562 -5.967 8.048 260 HA2 GLY 38 1HA GLY 38 -17.788 -8.669 9.131 261 HA3 GLY 38 2HA GLY 38 -19.063 -7.540 9.562 262 HA PRO 39 HA PRO 39 -19.487 -9.458 5.152 263 HB2 PRO 39 1HB PRO 39 -20.732 -11.811 5.684 264 HB3 PRO 39 2HB PRO 39 -18.976 -11.665 5.538 265 HG2 PRO 39 1HG PRO 39 -20.671 -11.762 8.004 266 HG3 PRO 39 2HG PRO 39 -19.132 -12.576 7.672 267 HD2 PRO 39 1HD PRO 39 -19.294 -10.317 9.155 268 HD3 PRO 39 2HD PRO 39 -17.889 -10.691 8.135 269 H SER 40 H SER 40 -20.982 -7.683 5.147 270 HA SER 40 HA SER 40 -23.659 -8.196 6.188 271 HB2 SER 40 1HB SER 40 -22.812 -5.987 6.626 272 HB3 SER 40 2HB SER 40 -22.403 -5.750 4.927 273 HG SER 40 HG SER 40 -25.021 -6.083 5.978 274 H SER 41 H SER 41 -22.083 -7.425 3.098 275 HA SER 41 HA SER 41 -24.278 -8.798 1.719 276 HB2 SER 41 1HB SER 41 -24.897 -6.520 1.433 277 HB3 SER 41 2HB SER 41 -23.234 -6.032 1.110 278 HG SER 41 HG SER 41 -23.332 -7.071 -0.861 279 H GLY 42 H GLY 42 -23.548 -10.275 0.339 280 HA2 GLY 42 1HA GLY 42 -21.469 -9.949 -1.490 281 HA3 GLY 42 2HA GLY 42 -20.783 -10.713 -0.064 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -1.669 -8.434 -21.170 2 HA2 GLY 1 1HA GLY 1 -0.076 -6.065 -21.821 3 HA3 GLY 1 2HA GLY 1 -0.731 -6.470 -20.241 4 H SER 2 H SER 2 1.788 -7.249 -22.579 5 HA SER 2 HA SER 2 3.290 -8.638 -20.473 6 HB2 SER 2 1HB SER 2 3.590 -8.611 -23.481 7 HB3 SER 2 2HB SER 2 4.766 -9.359 -22.401 8 HG SER 2 HG SER 2 2.024 -10.022 -22.283 9 H SER 3 H SER 3 3.837 -6.642 -19.410 10 HA SER 3 HA SER 3 6.379 -5.661 -20.117 11 HB2 SER 3 1HB SER 3 5.227 -4.411 -21.848 12 HB3 SER 3 2HB SER 3 4.063 -3.793 -20.676 13 HG SER 3 HG SER 3 6.856 -3.313 -20.543 14 H GLY 4 H GLY 4 7.344 -4.714 -18.387 15 HA2 GLY 4 1HA GLY 4 6.185 -4.928 -15.853 16 HA3 GLY 4 2HA GLY 4 7.634 -4.005 -16.225 17 H SER 5 H SER 5 4.813 -3.708 -14.748 18 HA SER 5 HA SER 5 4.131 -1.064 -15.802 19 HB2 SER 5 1HB SER 5 2.130 -1.234 -14.372 20 HB3 SER 5 2HB SER 5 2.275 -2.629 -15.441 21 HG SER 5 HG SER 5 2.859 -2.476 -12.675 22 H SER 6 H SER 6 6.054 -0.046 -14.996 23 HA SER 6 HA SER 6 6.779 -0.017 -12.272 24 HB2 SER 6 1HB SER 6 8.179 1.897 -12.847 25 HB3 SER 6 2HB SER 6 8.294 0.671 -14.109 26 HG SER 6 HG SER 6 7.727 2.207 -15.412 27 H GLY 7 H GLY 7 6.632 1.791 -10.775 28 HA2 GLY 7 1HA GLY 7 4.244 3.470 -11.203 29 HA3 GLY 7 2HA GLY 7 4.457 2.578 -9.704 30 H GLY 8 H GLY 8 6.457 4.717 -11.751 31 HA2 GLY 8 1HA GLY 8 8.032 6.289 -11.094 32 HA3 GLY 8 2HA GLY 8 6.635 6.944 -10.253 33 H GLU 9 H GLU 9 7.125 7.461 -8.236 34 HA GLU 9 HA GLU 9 8.995 5.726 -6.762 35 HB2 GLU 9 1HB GLU 9 9.524 7.688 -5.381 36 HB3 GLU 9 2HB GLU 9 9.867 7.979 -7.081 37 HG2 GLU 9 1HG GLU 9 7.456 8.995 -7.079 38 HG3 GLU 9 2HG GLU 9 7.748 9.143 -5.347 39 H LYS 10 H LYS 10 7.988 4.446 -5.372 40 HA LYS 10 HA LYS 10 6.127 5.536 -3.461 41 HB2 LYS 10 1HB LYS 10 5.197 3.327 -5.303 42 HB3 LYS 10 2HB LYS 10 4.291 4.020 -3.964 43 HG2 LYS 10 1HG LYS 10 4.372 6.216 -5.170 44 HG3 LYS 10 2HG LYS 10 5.047 5.351 -6.552 45 HD2 LYS 10 1HD LYS 10 3.083 4.240 -6.988 46 HD3 LYS 10 2HD LYS 10 2.531 4.340 -5.314 47 HE2 LYS 10 1HE LYS 10 1.137 5.843 -6.386 48 HE3 LYS 10 2HE LYS 10 2.414 6.890 -5.769 49 HZ1 LYS 10 3HZ LYS 10 2.269 5.821 -8.537 50 HZ2 LYS 10 1HZ LYS 10 3.450 6.873 -7.937 51 HZ3 LYS 10 2HZ LYS 10 1.847 7.393 -8.074 52 HA PRO 11 HA PRO 11 8.663 2.385 -1.464 53 HB2 PRO 11 1HB PRO 11 8.207 3.301 1.050 54 HB3 PRO 11 2HB PRO 11 9.393 4.032 -0.038 55 HG2 PRO 11 1HG PRO 11 6.601 4.912 0.585 56 HG3 PRO 11 2HG PRO 11 8.072 5.888 0.427 57 HD2 PRO 11 1HD PRO 11 6.237 5.687 -1.554 58 HD3 PRO 11 2HD PRO 11 7.970 5.895 -1.876 59 H TYR 12 H TYR 12 5.422 3.409 -0.438 60 HA TYR 12 HA TYR 12 4.913 0.882 0.875 61 HB2 TYR 12 1HB TYR 12 2.967 3.123 0.299 62 HB3 TYR 12 2HB TYR 12 2.768 1.820 1.465 63 HD1 TYR 12 HD1 TYR 12 4.039 1.823 3.563 64 HD2 TYR 12 HD2 TYR 12 4.337 5.041 0.795 65 HE1 TYR 12 HE1 TYR 12 5.067 3.220 5.307 66 HE2 TYR 12 HE2 TYR 12 5.367 6.446 2.531 67 HH TYR 12 HH TYR 12 5.267 6.433 5.208 68 H LYS 13 H LYS 13 3.911 -0.835 0.034 69 HA LYS 13 HA LYS 13 2.471 -0.527 -2.511 70 HB2 LYS 13 1HB LYS 13 4.588 -1.412 -3.160 71 HB3 LYS 13 2HB LYS 13 4.587 -2.568 -1.834 72 HG2 LYS 13 1HG LYS 13 2.417 -3.444 -3.027 73 HG3 LYS 13 2HG LYS 13 3.139 -2.652 -4.430 74 HD2 LYS 13 1HD LYS 13 4.916 -4.099 -4.503 75 HD3 LYS 13 2HD LYS 13 4.854 -4.433 -2.770 76 HE2 LYS 13 1HE LYS 13 3.125 -5.967 -3.003 77 HE3 LYS 13 2HE LYS 13 2.632 -5.322 -4.568 78 HZ1 LYS 13 3HZ LYS 13 4.646 -7.297 -3.939 79 HZ2 LYS 13 1HZ LYS 13 5.130 -6.145 -5.080 80 HZ3 LYS 13 2HZ LYS 13 3.747 -7.079 -5.355 81 H CYS 14 H CYS 14 0.633 -1.717 -2.722 82 HA CYS 14 HA CYS 14 -0.382 -2.973 -0.319 83 HB2 CYS 14 1HB CYS 14 -1.934 -1.564 -1.445 84 HB3 CYS 14 2HB CYS 14 -1.609 -2.328 -2.997 85 H GLU 15 H GLU 15 0.085 -5.026 0.093 86 HA GLU 15 HA GLU 15 0.894 -6.860 -1.952 87 HB2 GLU 15 1HB GLU 15 0.226 -7.409 0.944 88 HB3 GLU 15 2HB GLU 15 1.096 -8.483 -0.142 89 HG2 GLU 15 1HG GLU 15 2.799 -6.601 -0.365 90 HG3 GLU 15 2HG GLU 15 2.004 -5.880 1.033 91 H THR 16 H THR 16 -2.076 -6.083 -0.348 92 HA THR 16 HA THR 16 -3.522 -8.440 -0.703 93 HB THR 16 HB THR 16 -4.438 -5.565 -0.686 94 HG1 THR 16 HG1 THR 16 -3.619 -6.436 1.286 95 HG21 THR 16 3HG2 THR 16 -6.156 -6.651 -1.876 96 HG22 THR 16 1HG2 THR 16 -6.714 -6.624 -0.204 97 HG23 THR 16 2HG2 THR 16 -6.039 -8.104 -0.885 98 H CYS 17 H CYS 17 -2.914 -5.772 -2.931 99 HA CYS 17 HA CYS 17 -4.011 -7.434 -5.098 100 HB2 CYS 17 1HB CYS 17 -4.940 -5.482 -6.174 101 HB3 CYS 17 2HB CYS 17 -5.552 -5.561 -4.525 102 H GLY 18 H GLY 18 -1.795 -4.830 -4.188 103 HA2 GLY 18 1HA GLY 18 0.537 -5.219 -5.005 104 HA3 GLY 18 2HA GLY 18 -0.191 -5.485 -6.582 105 H ALA 19 H ALA 19 -1.692 -3.050 -4.738 106 HA ALA 19 HA ALA 19 -1.030 -1.030 -6.619 107 HB1 ALA 19 3HB ALA 19 -3.059 -1.339 -4.900 108 HB2 ALA 19 1HB ALA 19 -2.066 -0.212 -3.976 109 HB3 ALA 19 2HB ALA 19 -2.614 0.219 -5.596 110 H ARG 20 H ARG 20 -0.391 1.238 -5.527 111 HA ARG 20 HA ARG 20 1.799 0.958 -3.644 112 HB2 ARG 20 1HB ARG 20 2.188 1.719 -6.527 113 HB3 ARG 20 2HB ARG 20 3.291 2.286 -5.280 114 HG2 ARG 20 1HG ARG 20 3.968 0.079 -4.748 115 HG3 ARG 20 2HG ARG 20 2.670 -0.621 -5.718 116 HD2 ARG 20 1HD ARG 20 4.997 0.988 -6.767 117 HD3 ARG 20 2HD ARG 20 4.825 -0.764 -6.865 118 HE ARG 20 HE ARG 20 3.543 1.201 -8.526 119 HH11 ARG 20 1HH1 ARG 20 3.386 -2.048 -7.284 120 HH12 ARG 20 2HH1 ARG 20 2.406 -2.638 -8.586 121 HH21 ARG 20 1HH2 ARG 20 2.253 0.436 -10.245 122 HH22 ARG 20 2HH2 ARG 20 1.763 -1.224 -10.270 123 H PHE 21 H PHE 21 2.627 3.031 -2.908 124 HA PHE 21 HA PHE 21 1.238 5.436 -3.674 125 HB2 PHE 21 1HB PHE 21 0.912 4.517 -0.819 126 HB3 PHE 21 2HB PHE 21 0.132 5.881 -1.614 127 HD1 PHE 21 HD2 PHE 21 0.361 2.172 -1.741 128 HD2 PHE 21 HD1 PHE 21 -1.987 5.638 -2.505 129 HE1 PHE 21 HE2 PHE 21 -1.563 0.742 -2.294 130 HE2 PHE 21 HE1 PHE 21 -3.916 4.213 -3.059 131 HZ PHE 21 HZ PHE 21 -3.704 1.762 -2.955 132 H VAL 22 H VAL 22 2.065 7.342 -2.551 133 HA VAL 22 HA VAL 22 4.898 7.121 -2.110 134 HB VAL 22 HB VAL 22 4.229 9.053 -3.294 135 HG11 VAL 22 1HG1 VAL 22 2.248 9.476 -1.070 136 HG12 VAL 22 2HG1 VAL 22 2.654 10.728 -2.245 137 HG13 VAL 22 3HG1 VAL 22 1.924 9.215 -2.783 138 HG21 VAL 22 3HG2 VAL 22 4.728 10.027 -0.486 139 HG22 VAL 22 1HG2 VAL 22 5.981 9.362 -1.534 140 HG23 VAL 22 2HG2 VAL 22 5.138 10.841 -1.996 141 H GLN 23 H GLN 23 2.047 7.758 -0.138 142 HA GLN 23 HA GLN 23 3.754 7.581 2.257 143 HB2 GLN 23 1HB GLN 23 1.478 9.398 1.608 144 HB3 GLN 23 2HB GLN 23 1.686 8.885 3.277 145 HG2 GLN 23 1HG GLN 23 4.040 9.961 1.817 146 HG3 GLN 23 2HG GLN 23 2.796 11.082 2.367 147 HE21 GLN 23 1HE2 GLN 23 5.042 8.590 3.418 148 HE22 GLN 23 2HE2 GLN 23 5.192 9.152 5.045 149 H VAL 24 H VAL 24 2.996 6.378 3.998 150 HA VAL 24 HA VAL 24 1.503 4.089 3.410 151 HB VAL 24 HB VAL 24 3.131 4.678 5.419 152 HG11 VAL 24 1HG1 VAL 24 0.408 4.995 6.676 153 HG12 VAL 24 2HG1 VAL 24 1.962 4.987 7.512 154 HG13 VAL 24 3HG1 VAL 24 1.559 6.304 6.410 155 HG21 VAL 24 3HG2 VAL 24 1.370 2.790 6.564 156 HG22 VAL 24 1HG2 VAL 24 1.300 2.575 4.814 157 HG23 VAL 24 2HG2 VAL 24 2.849 2.487 5.652 158 H ALA 25 H ALA 25 0.560 7.110 4.994 159 HA ALA 25 HA ALA 25 -1.946 6.501 5.917 160 HB1 ALA 25 3HB ALA 25 -0.600 8.738 5.917 161 HB2 ALA 25 1HB ALA 25 -1.556 9.085 4.476 162 HB3 ALA 25 2HB ALA 25 -2.361 8.762 6.013 163 H HIS 26 H HIS 26 -0.903 6.824 2.619 164 HA HIS 26 HA HIS 26 -3.593 6.960 1.560 165 HB2 HIS 26 1HB HIS 26 -1.063 6.439 0.001 166 HB3 HIS 26 2HB HIS 26 -2.582 7.103 -0.592 167 HD1 HIS 26 HD1 HIS 26 -0.492 8.868 -1.374 168 HD2 HIS 26 HD2 HIS 26 -1.935 9.008 2.520 169 HE1 HIS 26 HE1 HIS 26 0.159 11.134 -0.497 170 H LEU 27 H LEU 27 -0.919 4.610 1.503 171 HA LEU 27 HA LEU 27 -2.314 2.576 0.159 172 HB2 LEU 27 1HB LEU 27 0.005 2.348 0.224 173 HB3 LEU 27 2HB LEU 27 0.075 2.615 1.964 174 HG LEU 27 HG LEU 27 -0.885 0.395 2.343 175 HD11 LEU 27 1HD1 LEU 27 -0.635 -0.052 -0.622 176 HD12 LEU 27 2HD1 LEU 27 -2.155 0.353 0.175 177 HD13 LEU 27 3HD1 LEU 27 -1.314 -1.141 0.588 178 HD21 LEU 27 3HD2 LEU 27 1.046 -0.930 1.468 179 HD22 LEU 27 1HD2 LEU 27 1.498 0.537 2.337 180 HD23 LEU 27 2HD2 LEU 27 1.552 0.504 0.574 181 H ARG 28 H ARG 28 -1.654 2.951 3.644 182 HA ARG 28 HA ARG 28 -3.134 0.755 4.517 183 HB2 ARG 28 1HB ARG 28 -2.960 1.652 6.692 184 HB3 ARG 28 2HB ARG 28 -1.519 2.207 5.851 185 HG2 ARG 28 1HG ARG 28 -2.574 4.383 5.482 186 HG3 ARG 28 2HG ARG 28 -4.012 3.823 6.338 187 HD2 ARG 28 1HD ARG 28 -1.345 3.665 7.671 188 HD3 ARG 28 2HD ARG 28 -2.183 5.214 7.586 189 HE ARG 28 HE ARG 28 -2.904 2.929 9.193 190 HH11 ARG 28 1HH1 ARG 28 -3.981 5.909 7.751 191 HH12 ARG 28 2HH1 ARG 28 -5.289 6.128 8.866 192 HH21 ARG 28 1HH2 ARG 28 -4.623 3.206 10.667 193 HH22 ARG 28 2HH2 ARG 28 -5.653 4.590 10.525 194 H ALA 29 H ALA 29 -4.189 3.735 3.233 195 HA ALA 29 HA ALA 29 -6.847 3.526 4.421 196 HB1 ALA 29 3HB ALA 29 -5.343 5.633 2.985 197 HB2 ALA 29 1HB ALA 29 -7.097 5.626 2.798 198 HB3 ALA 29 2HB ALA 29 -6.381 5.746 4.406 199 H HIS 30 H HIS 30 -5.187 2.479 1.671 200 HA HIS 30 HA HIS 30 -7.619 2.325 0.044 201 HB2 HIS 30 1HB HIS 30 -5.984 3.058 -1.391 202 HB3 HIS 30 2HB HIS 30 -4.700 2.208 -0.534 203 HD1 HIS 30 HD1 HIS 30 -7.047 1.889 -3.363 204 HD2 HIS 30 HD2 HIS 30 -4.457 -0.559 -1.228 205 HE1 HIS 30 HE1 HIS 30 -6.769 -0.180 -4.764 206 H VAL 31 H VAL 31 -5.267 0.340 1.715 207 HA VAL 31 HA VAL 31 -5.993 -2.161 0.651 208 HB VAL 31 HB VAL 31 -5.166 -2.924 3.053 209 HG11 VAL 31 1HG1 VAL 31 -4.057 -3.098 0.755 210 HG12 VAL 31 2HG1 VAL 31 -3.164 -1.648 1.217 211 HG13 VAL 31 3HG1 VAL 31 -3.007 -3.124 2.171 212 HG21 VAL 31 3HG2 VAL 31 -5.237 -0.256 3.510 213 HG22 VAL 31 1HG2 VAL 31 -4.188 -1.383 4.370 214 HG23 VAL 31 2HG2 VAL 31 -3.560 -0.461 3.004 215 H LEU 32 H LEU 32 -7.595 -0.080 2.851 216 HA LEU 32 HA LEU 32 -9.089 -2.003 4.299 217 HB2 LEU 32 1HB LEU 32 -9.916 0.823 3.675 218 HB3 LEU 32 2HB LEU 32 -10.447 -0.176 5.026 219 HG LEU 32 HG LEU 32 -7.614 0.791 4.673 220 HD11 LEU 32 1HD1 LEU 32 -9.889 1.980 6.248 221 HD12 LEU 32 2HD1 LEU 32 -8.986 2.733 4.934 222 HD13 LEU 32 3HD1 LEU 32 -8.192 2.407 6.474 223 HD21 LEU 32 3HD2 LEU 32 -8.910 -0.090 7.222 224 HD22 LEU 32 1HD2 LEU 32 -7.199 -0.039 6.793 225 HD23 LEU 32 2HD2 LEU 32 -8.246 -1.278 6.099 226 H ILE 33 H ILE 33 -9.328 -0.782 1.107 227 HA ILE 33 HA ILE 33 -12.057 -0.997 0.587 228 HB ILE 33 HB ILE 33 -11.502 -1.191 -1.742 229 HG12 ILE 33 1HG1 ILE 33 -8.784 -2.018 -0.728 230 HG13 ILE 33 2HG1 ILE 33 -9.871 -2.920 -1.779 231 HG21 ILE 33 1HG2 ILE 33 -9.770 0.610 -0.100 232 HG22 ILE 33 2HG2 ILE 33 -9.641 0.611 -1.858 233 HG23 ILE 33 3HG2 ILE 33 -11.177 1.005 -1.086 234 HD11 ILE 33 3HD1 ILE 33 -8.239 -2.162 -3.225 235 HD12 ILE 33 1HD1 ILE 33 -9.524 -0.971 -3.427 236 HD13 ILE 33 2HD1 ILE 33 -8.119 -0.593 -2.430 237 H HIS 34 H HIS 34 -9.514 -3.463 0.430 238 HA HIS 34 HA HIS 34 -11.304 -5.530 -0.430 239 HB2 HIS 34 1HB HIS 34 -8.643 -6.055 0.859 240 HB3 HIS 34 2HB HIS 34 -9.446 -6.951 -0.427 241 HD1 HIS 34 HD1 HIS 34 -9.277 -5.966 -2.838 242 HD2 HIS 34 HD2 HIS 34 -7.067 -3.925 0.027 243 HE1 HIS 34 HE1 HIS 34 -7.707 -4.485 -4.129 244 H THR 35 H THR 35 -9.685 -4.744 2.636 245 HA THR 35 HA THR 35 -11.128 -6.823 4.039 246 HB THR 35 HB THR 35 -8.807 -6.306 4.672 247 HG1 THR 35 HG1 THR 35 -9.445 -6.970 6.568 248 HG21 THR 35 3HG2 THR 35 -9.976 -3.625 5.402 249 HG22 THR 35 1HG2 THR 35 -8.655 -3.961 4.284 250 HG23 THR 35 2HG2 THR 35 -8.428 -4.204 6.016 251 H GLY 36 H GLY 36 -12.714 -4.736 2.793 252 HA2 GLY 36 1HA GLY 36 -13.593 -2.789 4.610 253 HA3 GLY 36 2HA GLY 36 -14.535 -3.424 3.270 254 H SER 37 H SER 37 -15.275 -5.820 3.767 255 HA SER 37 HA SER 37 -16.718 -5.648 6.309 256 HB2 SER 37 1HB SER 37 -17.990 -5.974 4.175 257 HB3 SER 37 2HB SER 37 -17.202 -7.542 3.999 258 HG SER 37 HG SER 37 -19.288 -7.640 5.015 259 H GLY 38 H GLY 38 -14.041 -6.316 6.562 260 HA2 GLY 38 1HA GLY 38 -12.659 -7.868 7.537 261 HA3 GLY 38 2HA GLY 38 -14.132 -8.603 8.153 262 HA PRO 39 HA PRO 39 -11.942 -11.204 4.788 263 HB2 PRO 39 1HB PRO 39 -10.607 -12.951 6.380 264 HB3 PRO 39 2HB PRO 39 -9.890 -11.446 5.791 265 HG2 PRO 39 1HG PRO 39 -11.117 -12.044 8.456 266 HG3 PRO 39 2HG PRO 39 -9.632 -11.148 8.083 267 HD2 PRO 39 1HD PRO 39 -11.968 -9.914 8.678 268 HD3 PRO 39 2HD PRO 39 -10.778 -9.219 7.558 269 H SER 40 H SER 40 -13.322 -12.670 4.031 270 HA SER 40 HA SER 40 -15.550 -13.665 5.151 271 HB2 SER 40 1HB SER 40 -15.305 -15.669 3.635 272 HB3 SER 40 2HB SER 40 -15.092 -14.111 2.838 273 HG SER 40 HG SER 40 -12.979 -15.753 3.783 274 H SER 41 H SER 41 -12.329 -15.100 5.475 275 HA SER 41 HA SER 41 -13.349 -17.144 7.277 276 HB2 SER 41 1HB SER 41 -10.718 -16.624 5.939 277 HB3 SER 41 2HB SER 41 -10.777 -17.678 7.352 278 HG SER 41 HG SER 41 -12.377 -18.002 5.029 279 H GLY 42 H GLY 42 -13.657 -16.644 9.341 280 HA2 GLY 42 1HA GLY 42 -13.386 -15.701 11.418 281 HA3 GLY 42 2HA GLY 42 -11.664 -15.828 11.089 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.257 6.304 -17.932 2 HA2 GLY 1 1HA GLY 1 -10.645 4.208 -16.324 3 HA3 GLY 1 2HA GLY 1 -11.414 3.638 -17.798 4 H SER 2 H SER 2 -9.780 4.509 -19.766 5 HA SER 2 HA SER 2 -7.660 2.652 -19.672 6 HB2 SER 2 1HB SER 2 -8.264 4.924 -21.571 7 HB3 SER 2 2HB SER 2 -6.925 3.801 -21.809 8 HG SER 2 HG SER 2 -9.418 2.678 -21.326 9 H SER 3 H SER 3 -7.529 6.215 -19.826 10 HA SER 3 HA SER 3 -4.756 6.368 -19.301 11 HB2 SER 3 1HB SER 3 -7.019 8.300 -19.406 12 HB3 SER 3 2HB SER 3 -5.556 8.813 -18.565 13 HG SER 3 HG SER 3 -6.009 8.475 -21.241 14 H GLY 4 H GLY 4 -3.694 6.045 -17.467 15 HA2 GLY 4 1HA GLY 4 -4.475 7.083 -14.966 16 HA3 GLY 4 2HA GLY 4 -4.923 5.385 -15.039 17 H SER 5 H SER 5 -2.112 7.409 -15.895 18 HA SER 5 HA SER 5 -0.078 5.689 -15.915 19 HB2 SER 5 1HB SER 5 0.248 8.114 -16.067 20 HB3 SER 5 2HB SER 5 -0.071 8.277 -14.341 21 HG SER 5 HG SER 5 1.788 6.569 -14.339 22 H SER 6 H SER 6 0.694 4.115 -14.683 23 HA SER 6 HA SER 6 -0.414 3.389 -12.223 24 HB2 SER 6 1HB SER 6 0.666 1.693 -13.495 25 HB3 SER 6 2HB SER 6 2.172 2.608 -13.573 26 HG SER 6 HG SER 6 1.179 1.925 -11.054 27 H GLY 7 H GLY 7 2.892 4.618 -12.802 28 HA2 GLY 7 1HA GLY 7 3.069 6.653 -11.050 29 HA3 GLY 7 2HA GLY 7 3.181 5.256 -9.989 30 H GLY 8 H GLY 8 5.284 5.551 -9.345 31 HA2 GLY 8 1HA GLY 8 7.307 4.526 -11.049 32 HA3 GLY 8 2HA GLY 8 7.447 6.274 -10.933 33 H GLU 9 H GLU 9 7.160 7.016 -8.496 34 HA GLU 9 HA GLU 9 9.049 5.377 -6.943 35 HB2 GLU 9 1HB GLU 9 9.431 7.603 -5.708 36 HB3 GLU 9 2HB GLU 9 10.109 7.426 -7.320 37 HG2 GLU 9 1HG GLU 9 8.337 8.729 -8.273 38 HG3 GLU 9 2HG GLU 9 7.494 8.789 -6.726 39 H LYS 10 H LYS 10 7.971 4.189 -5.506 40 HA LYS 10 HA LYS 10 6.329 5.509 -3.531 41 HB2 LYS 10 1HB LYS 10 5.151 3.284 -5.205 42 HB3 LYS 10 2HB LYS 10 4.379 4.071 -3.834 43 HG2 LYS 10 1HG LYS 10 4.332 6.179 -5.061 44 HG3 LYS 10 2HG LYS 10 5.121 5.399 -6.434 45 HD2 LYS 10 1HD LYS 10 3.240 4.244 -7.034 46 HD3 LYS 10 2HD LYS 10 2.623 4.177 -5.381 47 HE2 LYS 10 1HE LYS 10 1.749 6.326 -5.489 48 HE3 LYS 10 2HE LYS 10 2.795 6.791 -6.830 49 HZ1 LYS 10 3HZ LYS 10 1.399 4.831 -7.955 50 HZ2 LYS 10 1HZ LYS 10 0.926 6.454 -8.007 51 HZ3 LYS 10 2HZ LYS 10 0.242 5.410 -6.866 52 HA PRO 11 HA PRO 11 8.713 2.358 -1.409 53 HB2 PRO 11 1HB PRO 11 8.185 3.299 1.082 54 HB3 PRO 11 2HB PRO 11 9.396 4.024 0.018 55 HG2 PRO 11 1HG PRO 11 6.583 4.895 0.557 56 HG3 PRO 11 2HG PRO 11 8.053 5.878 0.426 57 HD2 PRO 11 1HD PRO 11 6.272 5.644 -1.600 58 HD3 PRO 11 2HD PRO 11 8.012 5.859 -1.878 59 H TYR 12 H TYR 12 5.451 3.383 -0.439 60 HA TYR 12 HA TYR 12 4.921 0.855 0.860 61 HB2 TYR 12 1HB TYR 12 2.976 3.087 0.254 62 HB3 TYR 12 2HB TYR 12 2.774 1.791 1.428 63 HD1 TYR 12 HD1 TYR 12 4.027 1.816 3.537 64 HD2 TYR 12 HD2 TYR 12 4.331 5.016 0.750 65 HE1 TYR 12 HE1 TYR 12 5.031 3.231 5.280 66 HE2 TYR 12 HE2 TYR 12 5.337 6.440 2.485 67 HH TYR 12 HH TYR 12 5.371 6.571 4.965 68 H LYS 13 H LYS 13 3.880 -0.851 0.026 69 HA LYS 13 HA LYS 13 2.484 -0.545 -2.539 70 HB2 LYS 13 1HB LYS 13 4.601 -1.410 -3.195 71 HB3 LYS 13 2HB LYS 13 4.623 -2.560 -1.865 72 HG2 LYS 13 1HG LYS 13 2.467 -3.481 -3.042 73 HG3 LYS 13 2HG LYS 13 3.160 -2.676 -4.452 74 HD2 LYS 13 1HD LYS 13 4.944 -4.100 -4.559 75 HD3 LYS 13 2HD LYS 13 4.948 -4.399 -2.820 76 HE2 LYS 13 1HE LYS 13 3.028 -5.839 -3.015 77 HE3 LYS 13 2HE LYS 13 2.857 -5.444 -4.725 78 HZ1 LYS 13 3HZ LYS 13 5.196 -6.393 -4.943 79 HZ2 LYS 13 1HZ LYS 13 3.930 -7.490 -4.705 80 HZ3 LYS 13 2HZ LYS 13 4.942 -7.075 -3.415 81 H CYS 14 H CYS 14 0.615 -1.661 -2.708 82 HA CYS 14 HA CYS 14 -0.372 -2.985 -0.338 83 HB2 CYS 14 1HB CYS 14 -1.900 -1.520 -1.465 84 HB3 CYS 14 2HB CYS 14 -1.639 -2.336 -3.002 85 H GLU 15 H GLU 15 0.076 -5.050 0.029 86 HA GLU 15 HA GLU 15 0.868 -6.844 -2.060 87 HB2 GLU 15 1HB GLU 15 0.218 -7.449 0.829 88 HB3 GLU 15 2HB GLU 15 1.074 -8.505 -0.285 89 HG2 GLU 15 1HG GLU 15 2.801 -6.663 -0.481 90 HG3 GLU 15 2HG GLU 15 2.006 -5.913 0.902 91 H THR 16 H THR 16 -2.085 -6.100 -0.403 92 HA THR 16 HA THR 16 -3.546 -8.437 -0.796 93 HB THR 16 HB THR 16 -4.467 -5.561 -0.757 94 HG1 THR 16 HG1 THR 16 -3.624 -6.351 1.211 95 HG21 THR 16 3HG2 THR 16 -6.179 -6.719 -1.922 96 HG22 THR 16 1HG2 THR 16 -6.726 -6.592 -0.251 97 HG23 THR 16 2HG2 THR 16 -6.065 -8.114 -0.849 98 H CYS 17 H CYS 17 -2.945 -5.734 -2.986 99 HA CYS 17 HA CYS 17 -4.067 -7.357 -5.170 100 HB2 CYS 17 1HB CYS 17 -5.031 -5.424 -6.194 101 HB3 CYS 17 2HB CYS 17 -5.551 -5.429 -4.512 102 H GLY 18 H GLY 18 -1.795 -4.822 -4.219 103 HA2 GLY 18 1HA GLY 18 0.519 -5.204 -5.054 104 HA3 GLY 18 2HA GLY 18 -0.212 -5.468 -6.630 105 H ALA 19 H ALA 19 -1.672 -3.017 -4.760 106 HA ALA 19 HA ALA 19 -0.987 -1.005 -6.655 107 HB1 ALA 19 3HB ALA 19 -3.124 -1.158 -5.303 108 HB2 ALA 19 1HB ALA 19 -2.197 -0.514 -3.947 109 HB3 ALA 19 2HB ALA 19 -2.384 0.439 -5.420 110 H ARG 20 H ARG 20 -0.355 1.260 -5.559 111 HA ARG 20 HA ARG 20 1.802 0.967 -3.637 112 HB2 ARG 20 1HB ARG 20 2.236 1.767 -6.505 113 HB3 ARG 20 2HB ARG 20 3.329 2.291 -5.231 114 HG2 ARG 20 1HG ARG 20 4.002 0.085 -4.759 115 HG3 ARG 20 2HG ARG 20 2.673 -0.600 -5.696 116 HD2 ARG 20 1HD ARG 20 4.983 0.989 -6.808 117 HD3 ARG 20 2HD ARG 20 4.806 -0.764 -6.888 118 HE ARG 20 HE ARG 20 2.618 0.722 -8.043 119 HH11 ARG 20 1HH1 ARG 20 5.714 -0.772 -8.594 120 HH12 ARG 20 2HH1 ARG 20 5.468 -0.955 -10.299 121 HH21 ARG 20 1HH2 ARG 20 2.283 0.487 -10.287 122 HH22 ARG 20 2HH2 ARG 20 3.517 -0.238 -11.261 123 H PHE 21 H PHE 21 2.625 3.037 -2.880 124 HA PHE 21 HA PHE 21 1.234 5.443 -3.644 125 HB2 PHE 21 1HB PHE 21 0.907 4.508 -0.794 126 HB3 PHE 21 2HB PHE 21 0.128 5.877 -1.580 127 HD1 PHE 21 HD2 PHE 21 0.363 2.169 -1.748 128 HD2 PHE 21 HD1 PHE 21 -1.995 5.640 -2.461 129 HE1 PHE 21 HE2 PHE 21 -1.561 0.742 -2.313 130 HE2 PHE 21 HE1 PHE 21 -3.923 4.219 -3.026 131 HZ PHE 21 HZ PHE 21 -3.707 1.767 -2.953 132 H VAL 22 H VAL 22 2.063 7.348 -2.538 133 HA VAL 22 HA VAL 22 4.893 7.129 -2.080 134 HB VAL 22 HB VAL 22 4.294 9.063 -3.259 135 HG11 VAL 22 1HG1 VAL 22 2.624 10.712 -2.281 136 HG12 VAL 22 2HG1 VAL 22 1.968 9.208 -2.930 137 HG13 VAL 22 3HG1 VAL 22 2.146 9.415 -1.187 138 HG21 VAL 22 3HG2 VAL 22 5.929 9.434 -1.418 139 HG22 VAL 22 1HG2 VAL 22 5.048 10.886 -1.890 140 HG23 VAL 22 2HG2 VAL 22 4.603 10.025 -0.417 141 H GLN 23 H GLN 23 2.032 7.764 -0.125 142 HA GLN 23 HA GLN 23 3.728 7.599 2.279 143 HB2 GLN 23 1HB GLN 23 1.459 9.419 1.612 144 HB3 GLN 23 2HB GLN 23 1.657 8.910 3.284 145 HG2 GLN 23 1HG GLN 23 4.007 9.995 1.814 146 HG3 GLN 23 2HG GLN 23 2.769 11.104 2.404 147 HE21 GLN 23 1HE2 GLN 23 4.106 12.061 3.904 148 HE22 GLN 23 2HE2 GLN 23 4.642 11.251 5.332 149 H VAL 24 H VAL 24 2.997 6.362 3.991 150 HA VAL 24 HA VAL 24 1.491 4.089 3.413 151 HB VAL 24 HB VAL 24 3.114 4.672 5.423 152 HG11 VAL 24 1HG1 VAL 24 1.524 6.317 6.387 153 HG12 VAL 24 2HG1 VAL 24 0.402 4.992 6.701 154 HG13 VAL 24 3HG1 VAL 24 1.971 5.030 7.506 155 HG21 VAL 24 3HG2 VAL 24 1.351 2.805 6.585 156 HG22 VAL 24 1HG2 VAL 24 1.248 2.586 4.838 157 HG23 VAL 24 2HG2 VAL 24 2.810 2.482 5.648 158 H ALA 25 H ALA 25 0.542 7.118 4.976 159 HA ALA 25 HA ALA 25 -1.964 6.516 5.901 160 HB1 ALA 25 3HB ALA 25 -0.575 8.925 5.071 161 HB2 ALA 25 1HB ALA 25 -2.315 9.024 4.799 162 HB3 ALA 25 2HB ALA 25 -1.693 8.668 6.411 163 H HIS 26 H HIS 26 -0.924 6.840 2.596 164 HA HIS 26 HA HIS 26 -3.612 6.946 1.537 165 HB2 HIS 26 1HB HIS 26 -1.080 6.418 -0.016 166 HB3 HIS 26 2HB HIS 26 -2.601 7.073 -0.616 167 HD1 HIS 26 HD1 HIS 26 -0.537 8.846 -1.421 168 HD2 HIS 26 HD2 HIS 26 -1.937 8.997 2.488 169 HE1 HIS 26 HE1 HIS 26 0.114 11.118 -0.561 170 H LEU 27 H LEU 27 -0.930 4.604 1.489 171 HA LEU 27 HA LEU 27 -2.319 2.555 0.165 172 HB2 LEU 27 1HB LEU 27 -0.000 2.333 0.238 173 HB3 LEU 27 2HB LEU 27 0.065 2.615 1.976 174 HG LEU 27 HG LEU 27 -0.865 0.398 2.383 175 HD11 LEU 27 1HD1 LEU 27 -1.322 -1.157 0.644 176 HD12 LEU 27 2HD1 LEU 27 -0.699 -0.059 -0.587 177 HD13 LEU 27 3HD1 LEU 27 -2.196 0.327 0.262 178 HD21 LEU 27 3HD2 LEU 27 1.515 0.527 2.323 179 HD22 LEU 27 1HD2 LEU 27 1.530 0.494 0.559 180 HD23 LEU 27 2HD2 LEU 27 1.040 -0.939 1.463 181 H ARG 28 H ARG 28 -1.658 2.946 3.649 182 HA ARG 28 HA ARG 28 -3.141 0.758 4.534 183 HB2 ARG 28 1HB ARG 28 -2.959 1.660 6.701 184 HB3 ARG 28 2HB ARG 28 -1.527 2.232 5.856 185 HG2 ARG 28 1HG ARG 28 -2.541 4.401 5.529 186 HG3 ARG 28 2HG ARG 28 -4.040 3.837 6.270 187 HD2 ARG 28 1HD ARG 28 -1.510 3.585 7.815 188 HD3 ARG 28 2HD ARG 28 -2.232 5.185 7.648 189 HE ARG 28 HE ARG 28 -3.251 2.963 9.187 190 HH11 ARG 28 1HH1 ARG 28 -3.963 6.017 7.676 191 HH12 ARG 28 2HH1 ARG 28 -5.340 6.340 8.678 192 HH21 ARG 28 1HH2 ARG 28 -5.061 3.376 10.512 193 HH22 ARG 28 2HH2 ARG 28 -5.963 4.837 10.291 194 H ALA 29 H ALA 29 -4.190 3.757 3.265 195 HA ALA 29 HA ALA 29 -6.852 3.539 4.437 196 HB1 ALA 29 3HB ALA 29 -5.432 5.636 2.850 197 HB2 ALA 29 1HB ALA 29 -7.191 5.652 2.967 198 HB3 ALA 29 2HB ALA 29 -6.209 5.759 4.428 199 H HIS 30 H HIS 30 -5.188 2.490 1.692 200 HA HIS 30 HA HIS 30 -7.616 2.340 0.058 201 HB2 HIS 30 1HB HIS 30 -5.968 3.075 -1.365 202 HB3 HIS 30 2HB HIS 30 -4.694 2.207 -0.513 203 HD1 HIS 30 HD1 HIS 30 -7.019 1.941 -3.358 204 HD2 HIS 30 HD2 HIS 30 -4.499 -0.569 -1.211 205 HE1 HIS 30 HE1 HIS 30 -6.767 -0.125 -4.769 206 H VAL 31 H VAL 31 -5.262 0.348 1.723 207 HA VAL 31 HA VAL 31 -5.994 -2.150 0.662 208 HB VAL 31 HB VAL 31 -5.170 -2.916 3.064 209 HG11 VAL 31 1HG1 VAL 31 -3.255 -1.650 1.113 210 HG12 VAL 31 2HG1 VAL 31 -2.940 -2.994 2.212 211 HG13 VAL 31 3HG1 VAL 31 -4.042 -3.207 0.851 212 HG21 VAL 31 3HG2 VAL 31 -4.195 -1.374 4.384 213 HG22 VAL 31 1HG2 VAL 31 -3.557 -0.460 3.018 214 HG23 VAL 31 2HG2 VAL 31 -5.235 -0.244 3.518 215 H LEU 32 H LEU 32 -7.598 -0.066 2.855 216 HA LEU 32 HA LEU 32 -9.093 -1.983 4.308 217 HB2 LEU 32 1HB LEU 32 -9.909 0.843 3.669 218 HB3 LEU 32 2HB LEU 32 -10.464 -0.151 5.014 219 HG LEU 32 HG LEU 32 -7.635 0.843 4.684 220 HD11 LEU 32 1HD1 LEU 32 -9.252 1.927 6.860 221 HD12 LEU 32 2HD1 LEU 32 -9.808 2.401 5.256 222 HD13 LEU 32 3HD1 LEU 32 -8.149 2.739 5.749 223 HD21 LEU 32 3HD2 LEU 32 -8.690 0.046 7.309 224 HD22 LEU 32 1HD2 LEU 32 -7.115 -0.256 6.575 225 HD23 LEU 32 2HD2 LEU 32 -8.496 -1.266 6.146 226 H ILE 33 H ILE 33 -9.321 -0.792 1.108 227 HA ILE 33 HA ILE 33 -12.063 -1.036 0.603 228 HB ILE 33 HB ILE 33 -11.522 -1.156 -1.727 229 HG12 ILE 33 1HG1 ILE 33 -8.785 -1.979 -0.762 230 HG13 ILE 33 2HG1 ILE 33 -9.873 -2.867 -1.823 231 HG21 ILE 33 1HG2 ILE 33 -9.693 0.671 -1.830 232 HG22 ILE 33 2HG2 ILE 33 -11.213 1.026 -1.010 233 HG23 ILE 33 3HG2 ILE 33 -9.777 0.621 -0.069 234 HD11 ILE 33 3HD1 ILE 33 -8.279 -2.061 -3.277 235 HD12 ILE 33 1HD1 ILE 33 -9.562 -0.861 -3.419 236 HD13 ILE 33 2HD1 ILE 33 -8.140 -0.518 -2.434 237 H HIS 34 H HIS 34 -9.456 -3.430 0.360 238 HA HIS 34 HA HIS 34 -11.204 -5.527 -0.513 239 HB2 HIS 34 1HB HIS 34 -8.506 -5.994 0.723 240 HB3 HIS 34 2HB HIS 34 -9.309 -6.903 -0.554 241 HD1 HIS 34 HD1 HIS 34 -9.238 -5.874 -2.958 242 HD2 HIS 34 HD2 HIS 34 -6.992 -3.831 -0.123 243 HE1 HIS 34 HE1 HIS 34 -7.736 -4.342 -4.269 244 H THR 35 H THR 35 -9.318 -5.097 2.488 245 HA THR 35 HA THR 35 -10.703 -7.145 3.883 246 HB THR 35 HB THR 35 -8.421 -6.411 4.497 247 HG1 THR 35 HG1 THR 35 -9.741 -7.472 6.057 248 HG21 THR 35 3HG2 THR 35 -8.061 -4.362 5.720 249 HG22 THR 35 1HG2 THR 35 -9.779 -3.972 5.648 250 HG23 THR 35 2HG2 THR 35 -8.814 -3.978 4.172 251 H GLY 36 H GLY 36 -12.464 -7.084 5.175 252 HA2 GLY 36 1HA GLY 36 -13.677 -5.476 6.771 253 HA3 GLY 36 2HA GLY 36 -13.896 -4.513 5.317 254 H SER 37 H SER 37 -15.488 -5.035 3.884 255 HA SER 37 HA SER 37 -17.313 -7.169 4.743 256 HB2 SER 37 1HB SER 37 -18.244 -4.876 4.621 257 HB3 SER 37 2HB SER 37 -17.847 -4.822 2.904 258 HG SER 37 HG SER 37 -20.055 -5.697 3.943 259 H GLY 38 H GLY 38 -16.450 -5.640 1.631 260 HA2 GLY 38 1HA GLY 38 -15.454 -7.970 0.422 261 HA3 GLY 38 2HA GLY 38 -17.169 -7.854 0.056 262 HA PRO 39 HA PRO 39 -14.352 -4.843 -2.483 263 HB2 PRO 39 1HB PRO 39 -13.295 -6.458 -4.392 264 HB3 PRO 39 2HB PRO 39 -12.465 -6.094 -2.874 265 HG2 PRO 39 1HG PRO 39 -14.065 -8.510 -3.627 266 HG3 PRO 39 2HG PRO 39 -12.521 -8.416 -2.759 267 HD2 PRO 39 1HD PRO 39 -14.885 -8.783 -1.491 268 HD3 PRO 39 2HD PRO 39 -13.535 -7.895 -0.756 269 H SER 40 H SER 40 -15.925 -7.769 -3.779 270 HA SER 40 HA SER 40 -17.552 -8.062 -5.341 271 HB2 SER 40 1HB SER 40 -18.129 -5.345 -4.269 272 HB3 SER 40 2HB SER 40 -18.938 -5.813 -5.765 273 HG SER 40 HG SER 40 -19.353 -6.681 -3.201 274 H SER 41 H SER 41 -14.970 -7.509 -6.259 275 HA SER 41 HA SER 41 -15.526 -5.990 -8.724 276 HB2 SER 41 1HB SER 41 -13.822 -4.926 -7.241 277 HB3 SER 41 2HB SER 41 -12.826 -6.372 -7.407 278 HG SER 41 HG SER 41 -13.624 -4.583 -9.458 279 H GLY 42 H GLY 42 -13.699 -8.708 -7.345 280 HA2 GLY 42 1HA GLY 42 -13.198 -10.768 -8.241 281 HA3 GLY 42 2HA GLY 42 -14.328 -10.409 -9.538 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.234 -7.852 -23.204 2 HA2 GLY 1 1HA GLY 1 1.044 -6.890 -22.233 3 HA3 GLY 1 2HA GLY 1 1.290 -6.598 -23.948 4 H SER 2 H SER 2 0.784 -4.883 -21.434 5 HA SER 2 HA SER 2 -0.695 -2.847 -22.795 6 HB2 SER 2 1HB SER 2 -2.608 -2.692 -21.396 7 HB3 SER 2 2HB SER 2 -2.483 -4.397 -21.832 8 HG SER 2 HG SER 2 -1.660 -3.185 -19.402 9 H SER 3 H SER 3 0.374 -1.062 -22.308 10 HA SER 3 HA SER 3 2.368 -0.716 -20.505 11 HB2 SER 3 1HB SER 3 1.861 1.736 -20.584 12 HB3 SER 3 2HB SER 3 1.906 0.970 -22.172 13 HG SER 3 HG SER 3 -0.553 1.088 -20.864 14 H GLY 4 H GLY 4 2.509 0.484 -18.473 15 HA2 GLY 4 1HA GLY 4 0.107 0.667 -16.856 16 HA3 GLY 4 2HA GLY 4 1.242 -0.578 -16.357 17 H SER 5 H SER 5 2.698 -0.005 -14.893 18 HA SER 5 HA SER 5 2.901 2.709 -14.021 19 HB2 SER 5 1HB SER 5 4.096 0.101 -13.184 20 HB3 SER 5 2HB SER 5 4.859 1.591 -12.629 21 HG SER 5 HG SER 5 3.372 1.496 -11.141 22 H SER 6 H SER 6 4.381 4.216 -14.500 23 HA SER 6 HA SER 6 6.530 3.458 -16.360 24 HB2 SER 6 1HB SER 6 5.299 6.185 -15.892 25 HB3 SER 6 2HB SER 6 6.518 5.791 -17.103 26 HG SER 6 HG SER 6 3.861 4.804 -16.966 27 H GLY 7 H GLY 7 7.945 2.786 -14.671 28 HA2 GLY 7 1HA GLY 7 9.392 3.088 -12.872 29 HA3 GLY 7 2HA GLY 7 9.965 4.367 -13.932 30 H GLY 8 H GLY 8 7.381 3.768 -11.546 31 HA2 GLY 8 1HA GLY 8 7.459 6.600 -10.809 32 HA3 GLY 8 2HA GLY 8 6.243 5.432 -10.312 33 H GLU 9 H GLU 9 7.217 7.079 -8.423 34 HA GLU 9 HA GLU 9 9.113 5.406 -6.910 35 HB2 GLU 9 1HB GLU 9 9.433 7.622 -5.588 36 HB3 GLU 9 2HB GLU 9 10.228 7.425 -7.143 37 HG2 GLU 9 1HG GLU 9 8.468 8.716 -8.221 38 HG3 GLU 9 2HG GLU 9 7.643 8.895 -6.673 39 H LYS 10 H LYS 10 8.002 4.187 -5.527 40 HA LYS 10 HA LYS 10 6.295 5.471 -3.574 41 HB2 LYS 10 1HB LYS 10 5.213 3.232 -5.294 42 HB3 LYS 10 2HB LYS 10 4.385 3.993 -3.942 43 HG2 LYS 10 1HG LYS 10 4.486 6.150 -5.210 44 HG3 LYS 10 2HG LYS 10 5.087 5.230 -6.592 45 HD2 LYS 10 1HD LYS 10 3.074 4.211 -6.962 46 HD3 LYS 10 2HD LYS 10 2.603 4.282 -5.262 47 HE2 LYS 10 1HE LYS 10 1.860 6.465 -5.425 48 HE3 LYS 10 2HE LYS 10 2.862 6.809 -6.835 49 HZ1 LYS 10 3HZ LYS 10 0.911 4.753 -7.299 50 HZ2 LYS 10 1HZ LYS 10 1.266 6.132 -8.213 51 HZ3 LYS 10 2HZ LYS 10 0.216 6.240 -6.891 52 HA PRO 11 HA PRO 11 8.708 2.343 -1.434 53 HB2 PRO 11 1HB PRO 11 8.183 3.308 1.049 54 HB3 PRO 11 2HB PRO 11 9.395 4.020 -0.022 55 HG2 PRO 11 1HG PRO 11 6.585 4.904 0.510 56 HG3 PRO 11 2HG PRO 11 8.058 5.881 0.371 57 HD2 PRO 11 1HD PRO 11 6.276 5.635 -1.654 58 HD3 PRO 11 2HD PRO 11 8.017 5.842 -1.934 59 H TYR 12 H TYR 12 5.454 3.390 -0.457 60 HA TYR 12 HA TYR 12 4.915 0.875 0.860 61 HB2 TYR 12 1HB TYR 12 2.976 3.106 0.232 62 HB3 TYR 12 2HB TYR 12 2.770 1.822 1.418 63 HD1 TYR 12 HD1 TYR 12 4.031 1.862 3.524 64 HD2 TYR 12 HD2 TYR 12 4.327 5.040 0.711 65 HE1 TYR 12 HE1 TYR 12 5.038 3.291 5.254 66 HE2 TYR 12 HE2 TYR 12 5.336 6.478 2.432 67 HH TYR 12 HH TYR 12 6.208 5.225 5.593 68 H LYS 13 H LYS 13 3.874 -0.838 0.042 69 HA LYS 13 HA LYS 13 2.483 -0.555 -2.530 70 HB2 LYS 13 1HB LYS 13 4.598 -1.442 -3.164 71 HB3 LYS 13 2HB LYS 13 4.604 -2.577 -1.820 72 HG2 LYS 13 1HG LYS 13 2.448 -3.496 -2.996 73 HG3 LYS 13 2HG LYS 13 3.153 -2.713 -4.412 74 HD2 LYS 13 1HD LYS 13 4.927 -4.151 -4.493 75 HD3 LYS 13 2HD LYS 13 4.920 -4.430 -2.750 76 HE2 LYS 13 1HE LYS 13 2.642 -5.603 -3.231 77 HE3 LYS 13 2HE LYS 13 3.247 -5.691 -4.885 78 HZ1 LYS 13 3HZ LYS 13 4.922 -7.114 -4.293 79 HZ2 LYS 13 1HZ LYS 13 3.717 -7.605 -3.213 80 HZ3 LYS 13 2HZ LYS 13 4.967 -6.597 -2.683 81 H CYS 14 H CYS 14 0.616 -1.678 -2.704 82 HA CYS 14 HA CYS 14 -0.395 -2.957 -0.316 83 HB2 CYS 14 1HB CYS 14 -1.949 -1.540 -1.412 84 HB3 CYS 14 2HB CYS 14 -1.617 -2.263 -2.983 85 H GLU 15 H GLU 15 0.044 -5.017 0.083 86 HA GLU 15 HA GLU 15 0.831 -6.846 -1.980 87 HB2 GLU 15 1HB GLU 15 0.185 -7.399 0.921 88 HB3 GLU 15 2HB GLU 15 1.028 -8.481 -0.178 89 HG2 GLU 15 1HG GLU 15 2.746 -6.606 -0.417 90 HG3 GLU 15 2HG GLU 15 1.984 -5.903 1.008 91 H THR 16 H THR 16 -2.120 -6.052 -0.348 92 HA THR 16 HA THR 16 -3.589 -8.394 -0.697 93 HB THR 16 HB THR 16 -4.499 -5.514 -0.698 94 HG1 THR 16 HG1 THR 16 -4.720 -5.822 1.420 95 HG21 THR 16 3HG2 THR 16 -6.226 -6.661 -1.835 96 HG22 THR 16 1HG2 THR 16 -6.759 -6.548 -0.159 97 HG23 THR 16 2HG2 THR 16 -6.099 -8.064 -0.774 98 H CYS 17 H CYS 17 -2.931 -5.753 -2.935 99 HA CYS 17 HA CYS 17 -4.065 -7.399 -5.094 100 HB2 CYS 17 1HB CYS 17 -5.057 -5.499 -6.140 101 HB3 CYS 17 2HB CYS 17 -5.559 -5.464 -4.453 102 H GLY 18 H GLY 18 -1.817 -4.831 -4.174 103 HA2 GLY 18 1HA GLY 18 0.502 -5.218 -5.006 104 HA3 GLY 18 2HA GLY 18 -0.231 -5.487 -6.580 105 H ALA 19 H ALA 19 -1.692 -3.035 -4.710 106 HA ALA 19 HA ALA 19 -1.034 -1.025 -6.609 107 HB1 ALA 19 3HB ALA 19 -2.477 0.367 -5.443 108 HB2 ALA 19 1HB ALA 19 -3.124 -1.239 -5.104 109 HB3 ALA 19 2HB ALA 19 -2.140 -0.412 -3.896 110 H ARG 20 H ARG 20 -0.399 1.246 -5.493 111 HA ARG 20 HA ARG 20 1.794 0.959 -3.619 112 HB2 ARG 20 1HB ARG 20 2.190 1.695 -6.506 113 HB3 ARG 20 2HB ARG 20 3.287 2.285 -5.265 114 HG2 ARG 20 1HG ARG 20 3.824 -0.004 -4.631 115 HG3 ARG 20 2HG ARG 20 2.702 -0.609 -5.851 116 HD2 ARG 20 1HD ARG 20 4.700 -0.746 -6.979 117 HD3 ARG 20 2HD ARG 20 4.137 0.850 -7.473 118 HE ARG 20 HE ARG 20 5.634 1.377 -5.285 119 HH11 ARG 20 1HH1 ARG 20 6.225 -0.420 -8.208 120 HH12 ARG 20 2HH1 ARG 20 7.925 -0.088 -8.223 121 HH21 ARG 20 1HH2 ARG 20 7.871 1.821 -5.294 122 HH22 ARG 20 2HH2 ARG 20 8.861 1.187 -6.565 123 H PHE 21 H PHE 21 2.631 3.030 -2.888 124 HA PHE 21 HA PHE 21 1.259 5.441 -3.663 125 HB2 PHE 21 1HB PHE 21 0.911 4.533 -0.807 126 HB3 PHE 21 2HB PHE 21 0.141 5.896 -1.613 127 HD1 PHE 21 HD2 PHE 21 0.359 2.185 -1.726 128 HD2 PHE 21 HD1 PHE 21 -1.975 5.657 -2.512 129 HE1 PHE 21 HE2 PHE 21 -1.567 0.760 -2.284 130 HE2 PHE 21 HE1 PHE 21 -3.905 4.237 -3.070 131 HZ PHE 21 HZ PHE 21 -3.703 1.785 -2.958 132 H VAL 22 H VAL 22 2.079 7.343 -2.510 133 HA VAL 22 HA VAL 22 4.913 7.096 -2.046 134 HB VAL 22 HB VAL 22 4.320 9.020 -3.261 135 HG11 VAL 22 1HG1 VAL 22 1.990 8.987 -1.573 136 HG12 VAL 22 2HG1 VAL 22 2.697 10.603 -1.624 137 HG13 VAL 22 3HG1 VAL 22 2.240 9.791 -3.122 138 HG21 VAL 22 3HG2 VAL 22 5.164 10.829 -1.945 139 HG22 VAL 22 1HG2 VAL 22 4.687 10.030 -0.446 140 HG23 VAL 22 2HG2 VAL 22 5.989 9.358 -1.428 141 H GLN 23 H GLN 23 2.035 7.754 -0.130 142 HA GLN 23 HA GLN 23 3.703 7.619 2.294 143 HB2 GLN 23 1HB GLN 23 1.471 9.448 1.563 144 HB3 GLN 23 2HB GLN 23 1.585 8.930 3.240 145 HG2 GLN 23 1HG GLN 23 4.020 9.985 1.898 146 HG3 GLN 23 2HG GLN 23 2.765 11.114 2.409 147 HE21 GLN 23 1HE2 GLN 23 5.081 8.729 3.473 148 HE22 GLN 23 2HE2 GLN 23 5.114 9.214 5.131 149 H VAL 24 H VAL 24 3.005 6.340 3.966 150 HA VAL 24 HA VAL 24 1.487 4.084 3.403 151 HB VAL 24 HB VAL 24 3.100 4.672 5.418 152 HG11 VAL 24 1HG1 VAL 24 1.898 4.983 7.507 153 HG12 VAL 24 2HG1 VAL 24 1.572 6.322 6.405 154 HG13 VAL 24 3HG1 VAL 24 0.367 5.055 6.636 155 HG21 VAL 24 3HG2 VAL 24 2.794 2.488 5.682 156 HG22 VAL 24 1HG2 VAL 24 1.303 2.814 6.565 157 HG23 VAL 24 2HG2 VAL 24 1.259 2.579 4.818 158 H ALA 25 H ALA 25 0.529 7.092 5.012 159 HA ALA 25 HA ALA 25 -1.978 6.499 5.909 160 HB1 ALA 25 3HB ALA 25 -2.144 9.034 4.623 161 HB2 ALA 25 1HB ALA 25 -1.960 8.673 6.339 162 HB3 ALA 25 2HB ALA 25 -0.533 8.855 5.318 163 H HIS 26 H HIS 26 -0.944 6.879 2.596 164 HA HIS 26 HA HIS 26 -3.627 6.951 1.538 165 HB2 HIS 26 1HB HIS 26 -1.098 6.426 -0.019 166 HB3 HIS 26 2HB HIS 26 -2.618 7.090 -0.612 167 HD1 HIS 26 HD1 HIS 26 -0.544 8.856 -1.413 168 HD2 HIS 26 HD2 HIS 26 -1.940 8.999 2.498 169 HE1 HIS 26 HE1 HIS 26 0.118 11.121 -0.545 170 H LEU 27 H LEU 27 -0.938 4.618 1.484 171 HA LEU 27 HA LEU 27 -2.318 2.565 0.161 172 HB2 LEU 27 1HB LEU 27 -0.001 2.344 0.235 173 HB3 LEU 27 2HB LEU 27 0.064 2.635 1.972 174 HG LEU 27 HG LEU 27 -0.864 0.418 2.389 175 HD11 LEU 27 1HD1 LEU 27 -0.699 -0.035 -0.583 176 HD12 LEU 27 2HD1 LEU 27 -2.195 0.315 0.281 177 HD13 LEU 27 3HD1 LEU 27 -1.290 -1.153 0.646 178 HD21 LEU 27 3HD2 LEU 27 1.519 0.563 2.330 179 HD22 LEU 27 1HD2 LEU 27 1.534 0.502 0.567 180 HD23 LEU 27 2HD2 LEU 27 1.049 -0.918 1.494 181 H ARG 28 H ARG 28 -1.644 2.929 3.646 182 HA ARG 28 HA ARG 28 -3.132 0.746 4.524 183 HB2 ARG 28 1HB ARG 28 -2.955 1.644 6.696 184 HB3 ARG 28 2HB ARG 28 -1.518 2.207 5.853 185 HG2 ARG 28 1HG ARG 28 -2.529 4.382 5.518 186 HG3 ARG 28 2HG ARG 28 -4.020 3.826 6.280 187 HD2 ARG 28 1HD ARG 28 -1.393 3.707 7.721 188 HD3 ARG 28 2HD ARG 28 -2.352 5.187 7.691 189 HE ARG 28 HE ARG 28 -3.902 2.936 8.497 190 HH11 ARG 28 1HH1 ARG 28 -1.560 5.260 9.609 191 HH12 ARG 28 2HH1 ARG 28 -2.054 5.159 11.267 192 HH21 ARG 28 1HH2 ARG 28 -4.561 2.794 10.676 193 HH22 ARG 28 2HH2 ARG 28 -3.761 3.755 11.872 194 H ALA 29 H ALA 29 -4.181 3.757 3.278 195 HA ALA 29 HA ALA 29 -6.843 3.530 4.448 196 HB1 ALA 29 3HB ALA 29 -5.609 5.623 2.665 197 HB2 ALA 29 1HB ALA 29 -7.271 5.671 3.254 198 HB3 ALA 29 2HB ALA 29 -5.928 5.745 4.395 199 H HIS 30 H HIS 30 -5.181 2.498 1.695 200 HA HIS 30 HA HIS 30 -7.611 2.357 0.063 201 HB2 HIS 30 1HB HIS 30 -5.967 3.097 -1.361 202 HB3 HIS 30 2HB HIS 30 -4.690 2.232 -0.511 203 HD1 HIS 30 HD1 HIS 30 -7.025 1.959 -3.351 204 HD2 HIS 30 HD2 HIS 30 -4.473 -0.536 -1.223 205 HE1 HIS 30 HE1 HIS 30 -6.761 -0.101 -4.769 206 H VAL 31 H VAL 31 -5.255 0.355 1.714 207 HA VAL 31 HA VAL 31 -5.990 -2.137 0.639 208 HB VAL 31 HB VAL 31 -5.162 -2.915 3.037 209 HG11 VAL 31 1HG1 VAL 31 -3.152 -1.638 1.212 210 HG12 VAL 31 2HG1 VAL 31 -3.012 -3.129 2.145 211 HG13 VAL 31 3HG1 VAL 31 -4.060 -3.069 0.727 212 HG21 VAL 31 3HG2 VAL 31 -4.171 -1.382 4.358 213 HG22 VAL 31 1HG2 VAL 31 -3.552 -0.454 2.991 214 HG23 VAL 31 2HG2 VAL 31 -5.226 -0.251 3.510 215 H LEU 32 H LEU 32 -7.579 -0.068 2.864 216 HA LEU 32 HA LEU 32 -9.076 -1.995 4.300 217 HB2 LEU 32 1HB LEU 32 -9.894 0.837 3.689 218 HB3 LEU 32 2HB LEU 32 -10.436 -0.168 5.031 219 HG LEU 32 HG LEU 32 -7.610 0.828 4.687 220 HD11 LEU 32 1HD1 LEU 32 -9.428 2.585 5.069 221 HD12 LEU 32 2HD1 LEU 32 -8.064 2.560 6.186 222 HD13 LEU 32 3HD1 LEU 32 -9.610 1.863 6.668 223 HD21 LEU 32 3HD2 LEU 32 -8.524 -1.273 6.175 224 HD22 LEU 32 1HD2 LEU 32 -8.595 0.058 7.330 225 HD23 LEU 32 2HD2 LEU 32 -7.074 -0.331 6.526 226 H ILE 33 H ILE 33 -9.298 -0.803 1.106 227 HA ILE 33 HA ILE 33 -12.043 -1.019 0.603 228 HB ILE 33 HB ILE 33 -11.503 -1.148 -1.729 229 HG12 ILE 33 1HG1 ILE 33 -8.769 -1.980 -0.761 230 HG13 ILE 33 2HG1 ILE 33 -9.862 -2.868 -1.817 231 HG21 ILE 33 1HG2 ILE 33 -11.183 1.034 -1.041 232 HG22 ILE 33 2HG2 ILE 33 -9.778 0.628 -0.057 233 HG23 ILE 33 3HG2 ILE 33 -9.642 0.664 -1.815 234 HD11 ILE 33 3HD1 ILE 33 -8.289 -2.079 -3.291 235 HD12 ILE 33 1HD1 ILE 33 -9.542 -0.844 -3.407 236 HD13 ILE 33 2HD1 ILE 33 -8.099 -0.549 -2.437 237 H HIS 34 H HIS 34 -9.458 -3.437 0.360 238 HA HIS 34 HA HIS 34 -11.231 -5.517 -0.509 239 HB2 HIS 34 1HB HIS 34 -8.533 -6.018 0.712 240 HB3 HIS 34 2HB HIS 34 -9.349 -6.906 -0.572 241 HD1 HIS 34 HD1 HIS 34 -9.240 -5.886 -2.968 242 HD2 HIS 34 HD2 HIS 34 -7.027 -3.833 -0.115 243 HE1 HIS 34 HE1 HIS 34 -7.730 -4.350 -4.266 244 H THR 35 H THR 35 -9.438 -4.924 2.516 245 HA THR 35 HA THR 35 -10.776 -7.026 3.918 246 HB THR 35 HB THR 35 -8.519 -6.325 4.566 247 HG1 THR 35 HG1 THR 35 -9.016 -6.890 6.543 248 HG21 THR 35 3HG2 THR 35 -8.673 -3.945 4.108 249 HG22 THR 35 1HG2 THR 35 -8.198 -4.201 5.787 250 HG23 THR 35 2HG2 THR 35 -9.858 -3.749 5.399 251 H GLY 36 H GLY 36 -12.454 -6.930 5.357 252 HA2 GLY 36 1HA GLY 36 -13.873 -5.627 6.848 253 HA3 GLY 36 2HA GLY 36 -13.760 -4.304 5.698 254 H SER 37 H SER 37 -14.435 -5.207 3.349 255 HA SER 37 HA SER 37 -17.176 -6.158 3.734 256 HB2 SER 37 1HB SER 37 -17.695 -5.177 1.628 257 HB3 SER 37 2HB SER 37 -16.652 -4.019 2.454 258 HG SER 37 HG SER 37 -14.954 -5.409 1.205 259 H GLY 38 H GLY 38 -17.966 -7.388 1.615 260 HA2 GLY 38 1HA GLY 38 -17.359 -9.048 -0.038 261 HA3 GLY 38 2HA GLY 38 -15.971 -9.457 0.959 262 HA PRO 39 HA PRO 39 -18.939 -12.776 1.866 263 HB2 PRO 39 1HB PRO 39 -17.028 -14.578 2.551 264 HB3 PRO 39 2HB PRO 39 -17.490 -14.259 0.876 265 HG2 PRO 39 1HG PRO 39 -15.153 -13.214 2.428 266 HG3 PRO 39 2HG PRO 39 -15.211 -13.813 0.760 267 HD2 PRO 39 1HD PRO 39 -15.201 -11.173 1.361 268 HD3 PRO 39 2HD PRO 39 -16.046 -11.826 -0.057 269 H SER 40 H SER 40 -19.684 -11.573 3.711 270 HA SER 40 HA SER 40 -18.611 -12.627 6.210 271 HB2 SER 40 1HB SER 40 -18.970 -9.670 5.671 272 HB3 SER 40 2HB SER 40 -18.691 -10.365 7.267 273 HG SER 40 HG SER 40 -16.735 -9.690 6.377 274 H SER 41 H SER 41 -20.114 -12.749 7.879 275 HA SER 41 HA SER 41 -22.898 -12.297 7.041 276 HB2 SER 41 1HB SER 41 -22.273 -14.652 7.514 277 HB3 SER 41 2HB SER 41 -21.849 -14.188 9.161 278 HG SER 41 HG SER 41 -24.399 -14.142 7.933 279 H GLY 42 H GLY 42 -23.749 -10.511 7.875 280 HA2 GLY 42 1HA GLY 42 -24.597 -9.787 10.179 281 HA3 GLY 42 2HA GLY 42 -22.887 -9.665 10.564 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -0.526 -6.762 -12.807 2 HA2 GLY 1 1HA GLY 1 0.697 -8.537 -10.833 3 HA3 GLY 1 2HA GLY 1 0.902 -8.964 -12.525 4 H SER 2 H SER 2 1.578 -6.897 -13.877 5 HA SER 2 HA SER 2 3.756 -5.571 -12.399 6 HB2 SER 2 1HB SER 2 5.116 -5.683 -14.452 7 HB3 SER 2 2HB SER 2 4.663 -7.293 -13.893 8 HG SER 2 HG SER 2 3.088 -5.938 -15.795 9 H SER 3 H SER 3 2.870 -3.592 -12.088 10 HA SER 3 HA SER 3 2.033 -2.119 -14.501 11 HB2 SER 3 1HB SER 3 0.223 -2.675 -12.752 12 HB3 SER 3 2HB SER 3 1.025 -1.479 -11.734 13 HG SER 3 HG SER 3 -0.440 -1.134 -14.079 14 H GLY 4 H GLY 4 4.266 -1.477 -14.722 15 HA2 GLY 4 1HA GLY 4 5.403 0.660 -14.601 16 HA3 GLY 4 2HA GLY 4 4.929 0.755 -12.911 17 H SER 5 H SER 5 7.577 1.065 -13.942 18 HA SER 5 HA SER 5 8.970 -0.655 -12.162 19 HB2 SER 5 1HB SER 5 8.987 -1.309 -15.085 20 HB3 SER 5 2HB SER 5 10.451 -1.569 -14.137 21 HG SER 5 HG SER 5 8.644 -2.612 -12.668 22 H SER 6 H SER 6 10.649 0.466 -11.434 23 HA SER 6 HA SER 6 11.980 2.338 -11.192 24 HB2 SER 6 1HB SER 6 13.882 2.273 -12.756 25 HB3 SER 6 2HB SER 6 13.449 0.654 -12.209 26 HG SER 6 HG SER 6 12.257 0.444 -14.193 27 H GLY 7 H GLY 7 9.572 3.221 -12.134 28 HA2 GLY 7 1HA GLY 7 10.389 5.287 -14.082 29 HA3 GLY 7 2HA GLY 7 8.805 4.529 -14.136 30 H GLY 8 H GLY 8 8.079 4.517 -11.487 31 HA2 GLY 8 1HA GLY 8 7.743 7.399 -11.015 32 HA3 GLY 8 2HA GLY 8 6.675 6.135 -10.425 33 H GLU 9 H GLU 9 6.717 6.453 -8.271 34 HA GLU 9 HA GLU 9 9.011 5.629 -6.809 35 HB2 GLU 9 1HB GLU 9 9.701 7.617 -5.777 36 HB3 GLU 9 2HB GLU 9 9.524 8.054 -7.470 37 HG2 GLU 9 1HG GLU 9 8.472 9.819 -6.512 38 HG3 GLU 9 2HG GLU 9 7.100 8.727 -6.690 39 H LYS 10 H LYS 10 8.026 4.395 -5.359 40 HA LYS 10 HA LYS 10 6.198 5.527 -3.465 41 HB2 LYS 10 1HB LYS 10 5.161 3.329 -5.263 42 HB3 LYS 10 2HB LYS 10 4.305 4.068 -3.915 43 HG2 LYS 10 1HG LYS 10 4.323 6.218 -5.115 44 HG3 LYS 10 2HG LYS 10 5.112 5.425 -6.480 45 HD2 LYS 10 1HD LYS 10 3.220 4.298 -7.095 46 HD3 LYS 10 2HD LYS 10 2.593 4.233 -5.446 47 HE2 LYS 10 1HE LYS 10 1.668 6.331 -5.572 48 HE3 LYS 10 2HE LYS 10 2.815 6.881 -6.793 49 HZ1 LYS 10 3HZ LYS 10 0.275 6.182 -7.298 50 HZ2 LYS 10 1HZ LYS 10 1.081 4.736 -7.651 51 HZ3 LYS 10 2HZ LYS 10 1.515 6.163 -8.449 52 HA PRO 11 HA PRO 11 8.664 2.331 -1.469 53 HB2 PRO 11 1HB PRO 11 8.212 3.243 1.048 54 HB3 PRO 11 2HB PRO 11 9.408 3.965 -0.035 55 HG2 PRO 11 1HG PRO 11 6.624 4.872 0.586 56 HG3 PRO 11 2HG PRO 11 8.106 5.833 0.434 57 HD2 PRO 11 1HD PRO 11 6.273 5.659 -1.552 58 HD3 PRO 11 2HD PRO 11 8.010 5.850 -1.869 59 H TYR 12 H TYR 12 5.436 3.389 -0.430 60 HA TYR 12 HA TYR 12 4.895 0.867 0.872 61 HB2 TYR 12 1HB TYR 12 2.959 3.110 0.276 62 HB3 TYR 12 2HB TYR 12 2.763 1.823 1.460 63 HD1 TYR 12 HD1 TYR 12 4.033 1.857 3.557 64 HD2 TYR 12 HD2 TYR 12 4.337 5.032 0.741 65 HE1 TYR 12 HE1 TYR 12 5.064 3.278 5.279 66 HE2 TYR 12 HE2 TYR 12 5.371 6.461 2.455 67 HH TYR 12 HH TYR 12 6.749 5.985 4.662 68 H LYS 13 H LYS 13 3.891 -0.846 0.026 69 HA LYS 13 HA LYS 13 2.460 -0.533 -2.522 70 HB2 LYS 13 1HB LYS 13 4.568 -1.420 -3.179 71 HB3 LYS 13 2HB LYS 13 4.581 -2.567 -1.845 72 HG2 LYS 13 1HG LYS 13 2.419 -3.476 -3.011 73 HG3 LYS 13 2HG LYS 13 3.102 -2.672 -4.426 74 HD2 LYS 13 1HD LYS 13 4.879 -4.104 -4.551 75 HD3 LYS 13 2HD LYS 13 4.897 -4.406 -2.812 76 HE2 LYS 13 1HE LYS 13 2.788 -5.712 -3.096 77 HE3 LYS 13 2HE LYS 13 2.964 -5.521 -4.840 78 HZ1 LYS 13 3HZ LYS 13 5.230 -6.569 -4.531 79 HZ2 LYS 13 1HZ LYS 13 3.895 -7.591 -4.340 80 HZ3 LYS 13 2HZ LYS 13 4.717 -7.010 -2.981 81 H CYS 14 H CYS 14 0.615 -1.710 -2.730 82 HA CYS 14 HA CYS 14 -0.389 -2.990 -0.332 83 HB2 CYS 14 1HB CYS 14 -1.928 -1.536 -1.437 84 HB3 CYS 14 2HB CYS 14 -1.646 -2.314 -2.991 85 H GLU 15 H GLU 15 0.044 -5.056 0.042 86 HA GLU 15 HA GLU 15 0.826 -6.861 -2.042 87 HB2 GLU 15 1HB GLU 15 0.176 -7.453 0.851 88 HB3 GLU 15 2HB GLU 15 1.025 -8.517 -0.261 89 HG2 GLU 15 1HG GLU 15 2.752 -6.662 -0.467 90 HG3 GLU 15 2HG GLU 15 1.971 -5.937 0.937 91 H THR 16 H THR 16 -2.122 -6.092 -0.389 92 HA THR 16 HA THR 16 -3.596 -8.422 -0.768 93 HB THR 16 HB THR 16 -4.503 -5.542 -0.744 94 HG1 THR 16 HG1 THR 16 -3.795 -6.124 1.258 95 HG21 THR 16 3HG2 THR 16 -6.102 -8.089 -0.849 96 HG22 THR 16 1HG2 THR 16 -6.235 -6.671 -1.888 97 HG23 THR 16 2HG2 THR 16 -6.763 -6.586 -0.207 98 H CYS 17 H CYS 17 -2.956 -5.747 -2.976 99 HA CYS 17 HA CYS 17 -4.086 -7.374 -5.153 100 HB2 CYS 17 1HB CYS 17 -5.067 -5.457 -6.181 101 HB3 CYS 17 2HB CYS 17 -5.576 -5.446 -4.496 102 H GLY 18 H GLY 18 -1.832 -4.819 -4.210 103 HA2 GLY 18 1HA GLY 18 0.487 -5.200 -5.045 104 HA3 GLY 18 2HA GLY 18 -0.245 -5.460 -6.621 105 H ALA 19 H ALA 19 -1.705 -3.018 -4.737 106 HA ALA 19 HA ALA 19 -1.047 -0.998 -6.626 107 HB1 ALA 19 3HB ALA 19 -2.022 0.083 -4.143 108 HB2 ALA 19 1HB ALA 19 -2.799 0.026 -5.726 109 HB3 ALA 19 2HB ALA 19 -2.957 -1.336 -4.616 110 H ARG 20 H ARG 20 -0.410 1.267 -5.499 111 HA ARG 20 HA ARG 20 1.782 0.969 -3.625 112 HB2 ARG 20 1HB ARG 20 2.179 1.725 -6.508 113 HB3 ARG 20 2HB ARG 20 3.279 2.301 -5.262 114 HG2 ARG 20 1HG ARG 20 3.897 0.059 -4.684 115 HG3 ARG 20 2HG ARG 20 2.668 -0.602 -5.764 116 HD2 ARG 20 1HD ARG 20 5.115 0.974 -6.551 117 HD3 ARG 20 2HD ARG 20 4.833 -0.746 -6.820 118 HE ARG 20 HE ARG 20 2.765 0.369 -8.113 119 HH11 ARG 20 1HH1 ARG 20 6.180 1.047 -8.161 120 HH12 ARG 20 2HH1 ARG 20 6.180 1.597 -9.804 121 HH21 ARG 20 1HH2 ARG 20 2.752 1.092 -10.276 122 HH22 ARG 20 2HH2 ARG 20 4.230 1.623 -11.006 123 H PHE 21 H PHE 21 2.620 3.035 -2.883 124 HA PHE 21 HA PHE 21 1.250 5.451 -3.645 125 HB2 PHE 21 1HB PHE 21 0.901 4.529 -0.795 126 HB3 PHE 21 2HB PHE 21 0.130 5.895 -1.594 127 HD1 PHE 21 HD2 PHE 21 0.349 2.185 -1.724 128 HD2 PHE 21 HD1 PHE 21 -1.985 5.660 -2.495 129 HE1 PHE 21 HE2 PHE 21 -1.577 0.762 -2.290 130 HE2 PHE 21 HE1 PHE 21 -3.915 4.242 -3.061 131 HZ PHE 21 HZ PHE 21 -3.712 1.790 -2.960 132 H VAL 22 H VAL 22 2.092 7.348 -2.532 133 HA VAL 22 HA VAL 22 4.917 7.101 -2.062 134 HB VAL 22 HB VAL 22 4.343 9.042 -3.240 135 HG11 VAL 22 1HG1 VAL 22 2.188 9.412 -1.179 136 HG12 VAL 22 2HG1 VAL 22 2.682 10.706 -2.273 137 HG13 VAL 22 3HG1 VAL 22 2.017 9.206 -2.922 138 HG21 VAL 22 3HG2 VAL 22 5.168 10.827 -1.909 139 HG22 VAL 22 1HG2 VAL 22 4.608 10.063 -0.421 140 HG23 VAL 22 2HG2 VAL 22 5.949 9.357 -1.324 141 H GLN 23 H GLN 23 2.053 7.764 -0.119 142 HA GLN 23 HA GLN 23 3.738 7.592 2.293 143 HB2 GLN 23 1HB GLN 23 1.464 9.403 1.618 144 HB3 GLN 23 2HB GLN 23 1.662 8.898 3.290 145 HG2 GLN 23 1HG GLN 23 3.971 10.036 1.775 146 HG3 GLN 23 2HG GLN 23 2.751 11.096 2.481 147 HE21 GLN 23 1HE2 GLN 23 4.202 11.993 3.929 148 HE22 GLN 23 2HE2 GLN 23 4.801 11.126 5.298 149 H VAL 24 H VAL 24 2.994 6.362 4.008 150 HA VAL 24 HA VAL 24 1.493 4.084 3.418 151 HB VAL 24 HB VAL 24 3.118 4.661 5.429 152 HG11 VAL 24 1HG1 VAL 24 1.956 4.987 7.519 153 HG12 VAL 24 2HG1 VAL 24 1.548 6.301 6.413 154 HG13 VAL 24 3HG1 VAL 24 0.399 4.992 6.692 155 HG21 VAL 24 3HG2 VAL 24 0.957 2.792 6.213 156 HG22 VAL 24 1HG2 VAL 24 1.770 2.486 4.679 157 HG23 VAL 24 2HG2 VAL 24 2.704 2.554 6.174 158 H ALA 25 H ALA 25 0.545 7.122 4.953 159 HA ALA 25 HA ALA 25 -1.962 6.514 5.890 160 HB1 ALA 25 3HB ALA 25 -1.952 8.687 6.330 161 HB2 ALA 25 1HB ALA 25 -0.506 8.865 5.335 162 HB3 ALA 25 2HB ALA 25 -2.104 9.062 4.613 163 H HIS 26 H HIS 26 -0.914 6.829 2.590 164 HA HIS 26 HA HIS 26 -3.603 6.946 1.528 165 HB2 HIS 26 1HB HIS 26 -1.067 6.436 -0.024 166 HB3 HIS 26 2HB HIS 26 -2.590 7.085 -0.624 167 HD1 HIS 26 HD1 HIS 26 -0.598 8.899 -1.441 168 HD2 HIS 26 HD2 HIS 26 -1.878 8.973 2.511 169 HE1 HIS 26 HE1 HIS 26 0.055 11.164 -0.565 170 H LEU 27 H LEU 27 -0.922 4.607 1.510 171 HA LEU 27 HA LEU 27 -2.299 2.561 0.160 172 HB2 LEU 27 1HB LEU 27 0.023 2.352 0.241 173 HB3 LEU 27 2HB LEU 27 0.077 2.614 1.983 174 HG LEU 27 HG LEU 27 -0.823 0.393 2.371 175 HD11 LEU 27 1HD1 LEU 27 -0.711 -0.058 -0.601 176 HD12 LEU 27 2HD1 LEU 27 -2.191 0.364 0.259 177 HD13 LEU 27 3HD1 LEU 27 -1.347 -1.137 0.642 178 HD21 LEU 27 3HD2 LEU 27 1.540 0.473 2.285 179 HD22 LEU 27 1HD2 LEU 27 1.546 0.549 0.523 180 HD23 LEU 27 2HD2 LEU 27 1.058 -0.937 1.339 181 H ARG 28 H ARG 28 -1.647 2.941 3.647 182 HA ARG 28 HA ARG 28 -3.131 0.747 4.517 183 HB2 ARG 28 1HB ARG 28 -2.943 1.630 6.689 184 HB3 ARG 28 2HB ARG 28 -1.515 2.215 5.846 185 HG2 ARG 28 1HG ARG 28 -2.572 4.380 5.520 186 HG3 ARG 28 2HG ARG 28 -4.033 3.797 6.319 187 HD2 ARG 28 1HD ARG 28 -1.372 3.709 7.696 188 HD3 ARG 28 2HD ARG 28 -2.340 5.182 7.685 189 HE ARG 28 HE ARG 28 -2.774 2.881 9.284 190 HH11 ARG 28 1HH1 ARG 28 -4.450 5.381 7.534 191 HH12 ARG 28 2HH1 ARG 28 -5.861 5.318 8.536 192 HH21 ARG 28 1HH2 ARG 28 -4.627 2.789 10.611 193 HH22 ARG 28 2HH2 ARG 28 -5.961 3.844 10.287 194 H ALA 29 H ALA 29 -4.177 3.743 3.250 195 HA ALA 29 HA ALA 29 -6.838 3.533 4.428 196 HB1 ALA 29 3HB ALA 29 -5.963 5.746 4.378 197 HB2 ALA 29 1HB ALA 29 -5.564 5.615 2.665 198 HB3 ALA 29 2HB ALA 29 -7.251 5.664 3.177 199 H HIS 30 H HIS 30 -5.179 2.484 1.679 200 HA HIS 30 HA HIS 30 -7.610 2.338 0.050 201 HB2 HIS 30 1HB HIS 30 -5.963 3.073 -1.376 202 HB3 HIS 30 2HB HIS 30 -4.689 2.201 -0.527 203 HD1 HIS 30 HD1 HIS 30 -7.027 1.939 -3.364 204 HD2 HIS 30 HD2 HIS 30 -4.492 -0.570 -1.233 205 HE1 HIS 30 HE1 HIS 30 -6.778 -0.125 -4.779 206 H VAL 31 H VAL 31 -5.256 0.341 1.709 207 HA VAL 31 HA VAL 31 -5.995 -2.155 0.646 208 HB VAL 31 HB VAL 31 -5.164 -2.925 3.044 209 HG11 VAL 31 1HG1 VAL 31 -2.969 -3.064 2.173 210 HG12 VAL 31 2HG1 VAL 31 -4.053 -3.160 0.784 211 HG13 VAL 31 3HG1 VAL 31 -3.209 -1.653 1.143 212 HG21 VAL 31 3HG2 VAL 31 -3.548 -0.470 2.997 213 HG22 VAL 31 1HG2 VAL 31 -5.224 -0.256 3.503 214 HG23 VAL 31 2HG2 VAL 31 -4.180 -1.387 4.363 215 H LEU 32 H LEU 32 -7.585 -0.070 2.850 216 HA LEU 32 HA LEU 32 -9.080 -1.987 4.305 217 HB2 LEU 32 1HB LEU 32 -9.875 0.848 3.674 218 HB3 LEU 32 2HB LEU 32 -10.453 -0.149 5.008 219 HG LEU 32 HG LEU 32 -7.624 0.856 4.702 220 HD11 LEU 32 1HD1 LEU 32 -8.299 2.777 5.569 221 HD12 LEU 32 2HD1 LEU 32 -8.942 1.921 6.970 222 HD13 LEU 32 3HD1 LEU 32 -9.969 2.208 5.565 223 HD21 LEU 32 3HD2 LEU 32 -8.612 -0.020 7.315 224 HD22 LEU 32 1HD2 LEU 32 -7.072 -0.338 6.516 225 HD23 LEU 32 2HD2 LEU 32 -8.490 -1.307 6.115 226 H ILE 33 H ILE 33 -9.312 -0.801 1.106 227 HA ILE 33 HA ILE 33 -12.057 -1.031 0.611 228 HB ILE 33 HB ILE 33 -11.524 -1.154 -1.721 229 HG12 ILE 33 1HG1 ILE 33 -8.787 -1.986 -0.764 230 HG13 ILE 33 2HG1 ILE 33 -9.882 -2.871 -1.821 231 HG21 ILE 33 1HG2 ILE 33 -9.685 0.665 -1.827 232 HG22 ILE 33 2HG2 ILE 33 -11.206 1.027 -1.012 233 HG23 ILE 33 3HG2 ILE 33 -9.774 0.619 -0.066 234 HD11 ILE 33 3HD1 ILE 33 -9.572 -0.880 -3.426 235 HD12 ILE 33 1HD1 ILE 33 -8.156 -0.515 -2.440 236 HD13 ILE 33 2HD1 ILE 33 -8.276 -2.066 -3.271 237 H HIS 34 H HIS 34 -9.461 -3.436 0.362 238 HA HIS 34 HA HIS 34 -11.225 -5.525 -0.501 239 HB2 HIS 34 1HB HIS 34 -8.522 -6.012 0.713 240 HB3 HIS 34 2HB HIS 34 -9.337 -6.905 -0.568 241 HD1 HIS 34 HD1 HIS 34 -9.243 -5.882 -2.965 242 HD2 HIS 34 HD2 HIS 34 -7.024 -3.824 -0.118 243 HE1 HIS 34 HE1 HIS 34 -7.742 -4.340 -4.268 244 H THR 35 H THR 35 -9.413 -4.944 2.515 245 HA THR 35 HA THR 35 -10.788 -7.034 3.914 246 HB THR 35 HB THR 35 -8.488 -6.407 4.517 247 HG1 THR 35 HG1 THR 35 -9.003 -6.103 6.865 248 HG21 THR 35 3HG2 THR 35 -8.778 -3.958 4.110 249 HG22 THR 35 1HG2 THR 35 -7.980 -4.342 5.635 250 HG23 THR 35 2HG2 THR 35 -9.677 -3.863 5.624 251 H GLY 36 H GLY 36 -12.573 -6.923 5.149 252 HA2 GLY 36 1HA GLY 36 -13.994 -5.729 6.697 253 HA3 GLY 36 2HA GLY 36 -13.640 -4.255 5.809 254 H SER 37 H SER 37 -15.651 -3.631 5.217 255 HA SER 37 HA SER 37 -17.530 -5.531 4.109 256 HB2 SER 37 1HB SER 37 -18.206 -3.610 5.597 257 HB3 SER 37 2HB SER 37 -17.810 -2.524 4.266 258 HG SER 37 HG SER 37 -19.438 -3.404 3.064 259 H GLY 38 H GLY 38 -16.829 -6.250 2.149 260 HA2 GLY 38 1HA GLY 38 -17.142 -4.482 -0.084 261 HA3 GLY 38 2HA GLY 38 -15.460 -4.917 0.181 262 HA PRO 39 HA PRO 39 -16.153 -8.460 -2.326 263 HB2 PRO 39 1HB PRO 39 -14.039 -9.964 -1.527 264 HB3 PRO 39 2HB PRO 39 -13.870 -8.547 -2.570 265 HG2 PRO 39 1HG PRO 39 -13.433 -8.790 0.382 266 HG3 PRO 39 2HG PRO 39 -12.454 -7.940 -0.828 267 HD2 PRO 39 1HD PRO 39 -14.201 -6.657 0.794 268 HD3 PRO 39 2HD PRO 39 -13.853 -6.109 -0.859 269 H SER 40 H SER 40 -18.114 -9.164 -1.328 270 HA SER 40 HA SER 40 -18.449 -10.475 1.056 271 HB2 SER 40 1HB SER 40 -19.823 -10.850 -1.601 272 HB3 SER 40 2HB SER 40 -20.323 -11.740 -0.163 273 HG SER 40 HG SER 40 -20.272 -9.407 0.747 274 H SER 41 H SER 41 -17.585 -11.939 -2.067 275 HA SER 41 HA SER 41 -17.539 -14.582 -1.508 276 HB2 SER 41 1HB SER 41 -16.796 -13.438 -3.652 277 HB3 SER 41 2HB SER 41 -15.213 -13.245 -2.899 278 HG SER 41 HG SER 41 -15.366 -15.619 -2.560 279 H GLY 42 H GLY 42 -15.974 -16.090 -0.737 280 HA2 GLY 42 1HA GLY 42 -14.923 -15.583 1.756 281 HA3 GLY 42 2HA GLY 42 -14.358 -16.870 0.700 Start of MODEL 19 1 H1 GLY 1 H GLY 1 10.340 -6.513 -25.929 2 HA2 GLY 1 1HA GLY 1 11.255 -6.990 -23.813 3 HA3 GLY 1 2HA GLY 1 12.861 -6.969 -24.527 4 H SER 2 H SER 2 10.130 -4.770 -23.891 5 HA SER 2 HA SER 2 11.832 -2.462 -23.840 6 HB2 SER 2 1HB SER 2 9.324 -2.572 -24.458 7 HB3 SER 2 2HB SER 2 9.039 -2.555 -22.717 8 HG SER 2 HG SER 2 9.567 -0.501 -24.323 9 H SER 3 H SER 3 13.323 -2.456 -22.250 10 HA SER 3 HA SER 3 12.445 -3.029 -19.506 11 HB2 SER 3 1HB SER 3 14.537 -4.116 -20.709 12 HB3 SER 3 2HB SER 3 15.323 -2.619 -20.208 13 HG SER 3 HG SER 3 14.620 -4.780 -18.724 14 H GLY 4 H GLY 4 12.009 -1.360 -18.235 15 HA2 GLY 4 1HA GLY 4 13.708 0.836 -17.844 16 HA3 GLY 4 2HA GLY 4 12.441 1.324 -18.960 17 H SER 5 H SER 5 13.288 1.466 -15.844 18 HA SER 5 HA SER 5 10.494 1.371 -14.906 19 HB2 SER 5 1HB SER 5 11.232 0.698 -12.747 20 HB3 SER 5 2HB SER 5 12.109 -0.319 -13.890 21 HG SER 5 HG SER 5 13.656 0.405 -12.551 22 H SER 6 H SER 6 11.457 3.631 -16.171 23 HA SER 6 HA SER 6 12.251 5.513 -14.092 24 HB2 SER 6 1HB SER 6 12.332 7.146 -16.010 25 HB3 SER 6 2HB SER 6 13.416 5.765 -16.178 26 HG SER 6 HG SER 6 12.287 5.067 -17.828 27 H GLY 7 H GLY 7 11.093 7.568 -13.854 28 HA2 GLY 7 1HA GLY 7 9.192 8.814 -13.509 29 HA3 GLY 7 2HA GLY 7 8.458 7.925 -14.836 30 H GLY 8 H GLY 8 9.283 7.649 -11.391 31 HA2 GLY 8 1HA GLY 8 6.825 7.011 -10.411 32 HA3 GLY 8 2HA GLY 8 7.443 5.470 -10.986 33 H GLU 9 H GLU 9 6.831 6.497 -8.247 34 HA GLU 9 HA GLU 9 9.057 5.318 -6.927 35 HB2 GLU 9 1HB GLU 9 9.526 7.431 -5.532 36 HB3 GLU 9 2HB GLU 9 10.232 7.327 -7.139 37 HG2 GLU 9 1HG GLU 9 8.279 8.669 -7.970 38 HG3 GLU 9 2HG GLU 9 7.840 8.928 -6.283 39 H LYS 10 H LYS 10 8.050 4.171 -5.428 40 HA LYS 10 HA LYS 10 6.321 5.447 -3.508 41 HB2 LYS 10 1HB LYS 10 5.209 3.223 -5.230 42 HB3 LYS 10 2HB LYS 10 4.392 3.998 -3.878 43 HG2 LYS 10 1HG LYS 10 4.480 6.142 -5.134 44 HG3 LYS 10 2HG LYS 10 5.135 5.253 -6.511 45 HD2 LYS 10 1HD LYS 10 3.152 4.132 -6.897 46 HD3 LYS 10 2HD LYS 10 2.592 4.338 -5.236 47 HE2 LYS 10 1HE LYS 10 1.263 5.771 -6.569 48 HE3 LYS 10 2HE LYS 10 2.417 6.806 -5.730 49 HZ1 LYS 10 3HZ LYS 10 2.771 5.829 -8.510 50 HZ2 LYS 10 1HZ LYS 10 3.735 6.959 -7.700 51 HZ3 LYS 10 2HZ LYS 10 2.140 7.347 -8.109 52 HA PRO 11 HA PRO 11 8.707 2.280 -1.391 53 HB2 PRO 11 1HB PRO 11 8.214 3.249 1.097 54 HB3 PRO 11 2HB PRO 11 9.430 3.944 0.019 55 HG2 PRO 11 1HG PRO 11 6.637 4.870 0.571 56 HG3 PRO 11 2HG PRO 11 8.124 5.825 0.423 57 HD2 PRO 11 1HD PRO 11 6.325 5.609 -1.589 58 HD3 PRO 11 2HD PRO 11 8.066 5.790 -1.881 59 H TYR 12 H TYR 12 5.455 3.359 -0.463 60 HA TYR 12 HA TYR 12 4.892 0.851 0.874 61 HB2 TYR 12 1HB TYR 12 2.984 3.117 0.276 62 HB3 TYR 12 2HB TYR 12 2.771 1.831 1.459 63 HD1 TYR 12 HD1 TYR 12 4.097 1.828 3.539 64 HD2 TYR 12 HD2 TYR 12 4.325 5.044 0.763 65 HE1 TYR 12 HE1 TYR 12 5.143 3.235 5.264 66 HE2 TYR 12 HE2 TYR 12 5.373 6.459 2.479 67 HH TYR 12 HH TYR 12 5.242 6.295 5.329 68 H LYS 13 H LYS 13 3.879 -0.851 0.020 69 HA LYS 13 HA LYS 13 2.436 -0.519 -2.518 70 HB2 LYS 13 1HB LYS 13 4.553 -1.392 -3.187 71 HB3 LYS 13 2HB LYS 13 4.555 -2.569 -1.880 72 HG2 LYS 13 1HG LYS 13 2.355 -3.386 -3.103 73 HG3 LYS 13 2HG LYS 13 3.143 -2.624 -4.486 74 HD2 LYS 13 1HD LYS 13 5.034 -4.036 -4.305 75 HD3 LYS 13 2HD LYS 13 4.544 -4.608 -2.709 76 HE2 LYS 13 1HE LYS 13 3.841 -6.379 -3.954 77 HE3 LYS 13 2HE LYS 13 2.396 -5.375 -4.063 78 HZ1 LYS 13 3HZ LYS 13 4.457 -4.975 -6.090 79 HZ2 LYS 13 1HZ LYS 13 2.773 -4.903 -6.231 80 HZ3 LYS 13 2HZ LYS 13 3.554 -6.402 -6.184 81 H CYS 14 H CYS 14 0.619 -1.755 -2.757 82 HA CYS 14 HA CYS 14 -0.377 -3.035 -0.351 83 HB2 CYS 14 1HB CYS 14 -1.934 -1.594 -1.442 84 HB3 CYS 14 2HB CYS 14 -1.644 -2.353 -3.004 85 H GLU 15 H GLU 15 0.078 -5.098 0.014 86 HA GLU 15 HA GLU 15 0.872 -6.889 -2.078 87 HB2 GLU 15 1HB GLU 15 0.226 -7.501 0.812 88 HB3 GLU 15 2HB GLU 15 1.089 -8.549 -0.305 89 HG2 GLU 15 1HG GLU 15 2.798 -6.681 -0.498 90 HG3 GLU 15 2HG GLU 15 2.004 -5.963 0.903 91 H THR 16 H THR 16 -2.084 -6.142 -0.434 92 HA THR 16 HA THR 16 -3.536 -8.490 -0.826 93 HB THR 16 HB THR 16 -4.466 -5.618 -0.761 94 HG1 THR 16 HG1 THR 16 -5.300 -6.644 1.343 95 HG21 THR 16 3HG2 THR 16 -6.721 -6.652 -0.264 96 HG22 THR 16 1HG2 THR 16 -6.061 -8.173 -0.864 97 HG23 THR 16 2HG2 THR 16 -6.175 -6.777 -1.936 98 H CYS 17 H CYS 17 -2.924 -5.784 -3.004 99 HA CYS 17 HA CYS 17 -4.050 -7.393 -5.196 100 HB2 CYS 17 1HB CYS 17 -5.025 -5.453 -6.208 101 HB3 CYS 17 2HB CYS 17 -5.558 -5.494 -4.530 102 H GLY 18 H GLY 18 -1.810 -4.830 -4.237 103 HA2 GLY 18 1HA GLY 18 0.510 -5.196 -5.081 104 HA3 GLY 18 2HA GLY 18 -0.226 -5.439 -6.658 105 H ALA 19 H ALA 19 -1.708 -3.029 -4.760 106 HA ALA 19 HA ALA 19 -1.068 -0.983 -6.619 107 HB1 ALA 19 3HB ALA 19 -2.357 0.476 -5.213 108 HB2 ALA 19 1HB ALA 19 -3.174 -1.084 -5.310 109 HB3 ALA 19 2HB ALA 19 -2.253 -0.658 -3.867 110 H ARG 20 H ARG 20 -0.410 1.268 -5.505 111 HA ARG 20 HA ARG 20 1.790 0.968 -3.642 112 HB2 ARG 20 1HB ARG 20 2.177 1.735 -6.524 113 HB3 ARG 20 2HB ARG 20 3.292 2.279 -5.278 114 HG2 ARG 20 1HG ARG 20 3.893 0.030 -4.737 115 HG3 ARG 20 2HG ARG 20 2.632 -0.610 -5.793 116 HD2 ARG 20 1HD ARG 20 4.943 1.075 -6.745 117 HD3 ARG 20 2HD ARG 20 4.937 -0.689 -6.757 118 HE ARG 20 HE ARG 20 3.575 1.062 -8.583 119 HH11 ARG 20 1HH1 ARG 20 3.613 -2.113 -7.155 120 HH12 ARG 20 2HH1 ARG 20 2.747 -2.853 -8.461 121 HH21 ARG 20 1HH2 ARG 20 2.434 0.099 -10.308 122 HH22 ARG 20 2HH2 ARG 20 2.078 -1.594 -10.254 123 H PHE 21 H PHE 21 2.630 3.029 -2.898 124 HA PHE 21 HA PHE 21 1.267 5.449 -3.663 125 HB2 PHE 21 1HB PHE 21 0.925 4.536 -0.809 126 HB3 PHE 21 2HB PHE 21 0.153 5.900 -1.611 127 HD1 PHE 21 HD2 PHE 21 0.375 2.189 -1.745 128 HD2 PHE 21 HD1 PHE 21 -1.971 5.662 -2.486 129 HE1 PHE 21 HE2 PHE 21 -1.553 0.764 -2.298 130 HE2 PHE 21 HE1 PHE 21 -3.904 4.243 -3.040 131 HZ PHE 21 HZ PHE 21 -3.696 1.791 -2.948 132 H VAL 22 H VAL 22 2.099 7.344 -2.513 133 HA VAL 22 HA VAL 22 4.932 7.086 -2.057 134 HB VAL 22 HB VAL 22 4.374 9.021 -3.252 135 HG11 VAL 22 1HG1 VAL 22 2.720 10.703 -2.289 136 HG12 VAL 22 2HG1 VAL 22 2.051 9.210 -2.952 137 HG13 VAL 22 3HG1 VAL 22 2.208 9.408 -1.206 138 HG21 VAL 22 3HG2 VAL 22 5.173 10.827 -1.910 139 HG22 VAL 22 1HG2 VAL 22 4.652 10.028 -0.426 140 HG23 VAL 22 2HG2 VAL 22 5.987 9.360 -1.366 141 H GLN 23 H GLN 23 2.064 7.746 -0.128 142 HA GLN 23 HA GLN 23 3.740 7.594 2.290 143 HB2 GLN 23 1HB GLN 23 1.515 9.436 1.575 144 HB3 GLN 23 2HB GLN 23 1.629 8.909 3.249 145 HG2 GLN 23 1HG GLN 23 4.059 9.971 1.895 146 HG3 GLN 23 2HG GLN 23 2.814 11.093 2.443 147 HE21 GLN 23 1HE2 GLN 23 5.031 8.572 3.469 148 HE22 GLN 23 2HE2 GLN 23 5.131 9.071 5.120 149 H VAL 24 H VAL 24 3.011 6.348 3.988 150 HA VAL 24 HA VAL 24 1.488 4.088 3.411 151 HB VAL 24 HB VAL 24 3.114 4.666 5.424 152 HG11 VAL 24 1HG1 VAL 24 1.565 6.307 6.415 153 HG12 VAL 24 2HG1 VAL 24 0.388 5.017 6.667 154 HG13 VAL 24 3HG1 VAL 24 1.934 4.979 7.514 155 HG21 VAL 24 3HG2 VAL 24 1.470 2.537 4.724 156 HG22 VAL 24 1HG2 VAL 24 2.796 2.511 5.887 157 HG23 VAL 24 2HG2 VAL 24 1.146 2.803 6.436 158 H ALA 25 H ALA 25 0.560 7.106 5.015 159 HA ALA 25 HA ALA 25 -1.951 6.519 5.925 160 HB1 ALA 25 3HB ALA 25 -2.117 9.067 4.680 161 HB2 ALA 25 1HB ALA 25 -1.890 8.686 6.388 162 HB3 ALA 25 2HB ALA 25 -0.489 8.874 5.332 163 H HIS 26 H HIS 26 -0.903 6.814 2.627 164 HA HIS 26 HA HIS 26 -3.595 6.954 1.568 165 HB2 HIS 26 1HB HIS 26 -1.083 6.418 -0.010 166 HB3 HIS 26 2HB HIS 26 -2.594 7.123 -0.576 167 HD1 HIS 26 HD1 HIS 26 -0.446 8.838 -1.351 168 HD2 HIS 26 HD2 HIS 26 -1.895 8.986 2.540 169 HE1 HIS 26 HE1 HIS 26 0.260 11.079 -0.456 170 H LEU 27 H LEU 27 -0.914 4.611 1.481 171 HA LEU 27 HA LEU 27 -2.304 2.574 0.149 172 HB2 LEU 27 1HB LEU 27 0.014 2.348 0.224 173 HB3 LEU 27 2HB LEU 27 0.076 2.614 1.965 174 HG LEU 27 HG LEU 27 -0.895 0.391 2.332 175 HD11 LEU 27 1HD1 LEU 27 -1.225 -1.157 0.534 176 HD12 LEU 27 2HD1 LEU 27 -0.630 0.011 -0.645 177 HD13 LEU 27 3HD1 LEU 27 -2.154 0.302 0.192 178 HD21 LEU 27 3HD2 LEU 27 1.562 0.475 0.586 179 HD22 LEU 27 1HD2 LEU 27 1.052 -0.926 1.529 180 HD23 LEU 27 2HD2 LEU 27 1.500 0.572 2.347 181 H ARG 28 H ARG 28 -1.675 2.971 3.637 182 HA ARG 28 HA ARG 28 -3.144 0.767 4.511 183 HB2 ARG 28 1HB ARG 28 -2.985 1.671 6.680 184 HB3 ARG 28 2HB ARG 28 -1.550 2.250 5.845 185 HG2 ARG 28 1HG ARG 28 -2.660 4.404 5.457 186 HG3 ARG 28 2HG ARG 28 -4.072 3.818 6.339 187 HD2 ARG 28 1HD ARG 28 -1.307 3.938 7.525 188 HD3 ARG 28 2HD ARG 28 -2.476 5.252 7.659 189 HE ARG 28 HE ARG 28 -3.521 2.734 8.538 190 HH11 ARG 28 1HH1 ARG 28 -1.620 5.498 9.471 191 HH12 ARG 28 2HH1 ARG 28 -1.944 5.312 11.163 192 HH21 ARG 28 1HH2 ARG 28 -3.954 2.480 10.763 193 HH22 ARG 28 2HH2 ARG 28 -3.271 3.595 11.897 194 H ALA 29 H ALA 29 -4.200 3.782 3.264 195 HA ALA 29 HA ALA 29 -6.869 3.542 4.410 196 HB1 ALA 29 3HB ALA 29 -6.223 5.764 4.396 197 HB2 ALA 29 1HB ALA 29 -5.458 5.640 2.812 198 HB3 ALA 29 2HB ALA 29 -7.217 5.650 2.945 199 H HIS 30 H HIS 30 -5.189 2.479 1.684 200 HA HIS 30 HA HIS 30 -7.604 2.323 0.032 201 HB2 HIS 30 1HB HIS 30 -5.940 3.047 -1.381 202 HB3 HIS 30 2HB HIS 30 -4.678 2.176 -0.515 203 HD1 HIS 30 HD1 HIS 30 -6.991 1.905 -3.372 204 HD2 HIS 30 HD2 HIS 30 -4.482 -0.600 -1.206 205 HE1 HIS 30 HE1 HIS 30 -6.736 -0.167 -4.774 206 H VAL 31 H VAL 31 -5.252 0.332 1.709 207 HA VAL 31 HA VAL 31 -5.992 -2.169 0.664 208 HB VAL 31 HB VAL 31 -5.177 -2.921 3.075 209 HG11 VAL 31 1HG1 VAL 31 -4.047 -3.231 0.862 210 HG12 VAL 31 2HG1 VAL 31 -3.247 -1.680 1.123 211 HG13 VAL 31 3HG1 VAL 31 -2.950 -3.024 2.227 212 HG21 VAL 31 3HG2 VAL 31 -4.190 -1.374 4.382 213 HG22 VAL 31 1HG2 VAL 31 -3.557 -0.468 3.008 214 HG23 VAL 31 2HG2 VAL 31 -5.233 -0.249 3.512 215 H LEU 32 H LEU 32 -7.579 -0.075 2.870 216 HA LEU 32 HA LEU 32 -9.091 -1.986 4.312 217 HB2 LEU 32 1HB LEU 32 -9.896 0.846 3.687 218 HB3 LEU 32 2HB LEU 32 -10.438 -0.150 5.036 219 HG LEU 32 HG LEU 32 -7.604 0.817 4.684 220 HD11 LEU 32 1HD1 LEU 32 -9.788 1.941 6.432 221 HD12 LEU 32 2HD1 LEU 32 -9.142 2.702 4.979 222 HD13 LEU 32 3HD1 LEU 32 -8.107 2.471 6.387 223 HD21 LEU 32 3HD2 LEU 32 -8.742 -1.164 6.325 224 HD22 LEU 32 1HD2 LEU 32 -8.408 0.221 7.364 225 HD23 LEU 32 2HD2 LEU 32 -7.112 -0.494 6.404 226 H ILE 33 H ILE 33 -9.276 -0.855 1.105 227 HA ILE 33 HA ILE 33 -12.028 -1.036 0.593 228 HB ILE 33 HB ILE 33 -11.476 -1.197 -1.735 229 HG12 ILE 33 1HG1 ILE 33 -8.750 -2.029 -0.745 230 HG13 ILE 33 2HG1 ILE 33 -9.845 -2.932 -1.786 231 HG21 ILE 33 1HG2 ILE 33 -11.142 0.990 -1.113 232 HG22 ILE 33 2HG2 ILE 33 -9.787 0.595 -0.056 233 HG23 ILE 33 3HG2 ILE 33 -9.570 0.592 -1.806 234 HD11 ILE 33 3HD1 ILE 33 -9.521 -0.963 -3.425 235 HD12 ILE 33 1HD1 ILE 33 -8.096 -0.608 -2.449 236 HD13 ILE 33 2HD1 ILE 33 -8.245 -2.169 -3.258 237 H HIS 34 H HIS 34 -9.463 -3.480 0.382 238 HA HIS 34 HA HIS 34 -11.251 -5.553 -0.470 239 HB2 HIS 34 1HB HIS 34 -8.561 -6.064 0.762 240 HB3 HIS 34 2HB HIS 34 -9.382 -6.959 -0.513 241 HD1 HIS 34 HD1 HIS 34 -9.286 -5.941 -2.920 242 HD2 HIS 34 HD2 HIS 34 -7.008 -3.929 -0.087 243 HE1 HIS 34 HE1 HIS 34 -7.754 -4.440 -4.232 244 H THR 35 H THR 35 -9.542 -4.838 2.568 245 HA THR 35 HA THR 35 -10.885 -6.948 3.986 246 HB THR 35 HB THR 35 -8.616 -6.277 4.630 247 HG1 THR 35 HG1 THR 35 -9.013 -6.437 6.788 248 HG21 THR 35 3HG2 THR 35 -8.346 -4.132 5.910 249 HG22 THR 35 1HG2 THR 35 -9.940 -3.657 5.325 250 HG23 THR 35 2HG2 THR 35 -8.625 -3.930 4.181 251 H GLY 36 H GLY 36 -12.817 -5.376 2.837 252 HA2 GLY 36 1HA GLY 36 -13.785 -3.418 4.723 253 HA3 GLY 36 2HA GLY 36 -14.605 -3.962 3.268 254 H SER 37 H SER 37 -15.849 -5.899 3.345 255 HA SER 37 HA SER 37 -17.136 -6.267 5.902 256 HB2 SER 37 1HB SER 37 -17.654 -7.262 3.113 257 HB3 SER 37 2HB SER 37 -18.501 -7.972 4.487 258 HG SER 37 HG SER 37 -19.065 -5.713 5.016 259 H GLY 38 H GLY 38 -17.224 -8.149 7.114 260 HA2 GLY 38 1HA GLY 38 -16.667 -10.317 7.760 261 HA3 GLY 38 2HA GLY 38 -15.766 -10.504 6.263 262 HA PRO 39 HA PRO 39 -12.969 -8.337 9.616 263 HB2 PRO 39 1HB PRO 39 -13.635 -8.999 12.164 264 HB3 PRO 39 2HB PRO 39 -14.261 -7.560 11.350 265 HG2 PRO 39 1HG PRO 39 -15.562 -10.227 11.750 266 HG3 PRO 39 2HG PRO 39 -16.259 -8.605 11.919 267 HD2 PRO 39 1HD PRO 39 -16.650 -10.137 9.721 268 HD3 PRO 39 2HD PRO 39 -16.571 -8.364 9.648 269 H SER 40 H SER 40 -11.169 -9.281 10.693 270 HA SER 40 HA SER 40 -11.092 -12.210 10.456 271 HB2 SER 40 1HB SER 40 -8.867 -10.159 10.395 272 HB3 SER 40 2HB SER 40 -8.605 -11.903 10.371 273 HG SER 40 HG SER 40 -8.882 -11.758 8.303 274 H SER 41 H SER 41 -12.307 -11.248 12.720 275 HA SER 41 HA SER 41 -10.361 -11.180 14.871 276 HB2 SER 41 1HB SER 41 -12.540 -9.814 14.776 277 HB3 SER 41 2HB SER 41 -13.353 -11.317 15.211 278 HG SER 41 HG SER 41 -12.114 -9.603 16.810 279 H GLY 42 H GLY 42 -13.198 -13.203 14.083 280 HA2 GLY 42 1HA GLY 42 -12.914 -15.628 14.013 281 HA3 GLY 42 2HA GLY 42 -11.783 -15.465 15.348 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.245 18.051 -20.788 2 HA2 GLY 1 1HA GLY 1 -8.152 19.998 -19.509 3 HA3 GLY 1 2HA GLY 1 -9.324 19.075 -18.580 4 H SER 2 H SER 2 -7.989 17.259 -17.228 5 HA SER 2 HA SER 2 -5.857 18.714 -15.808 6 HB2 SER 2 1HB SER 2 -6.716 17.786 -13.691 7 HB3 SER 2 2HB SER 2 -7.924 18.792 -14.490 8 HG SER 2 HG SER 2 -9.027 16.988 -15.099 9 H SER 3 H SER 3 -4.310 17.517 -17.002 10 HA SER 3 HA SER 3 -4.207 14.755 -17.281 11 HB2 SER 3 1HB SER 3 -1.836 15.023 -17.722 12 HB3 SER 3 2HB SER 3 -2.710 16.373 -18.446 13 HG SER 3 HG SER 3 -0.708 16.522 -16.785 14 H GLY 4 H GLY 4 -3.380 13.084 -16.077 15 HA2 GLY 4 1HA GLY 4 -2.274 13.691 -13.431 16 HA3 GLY 4 2HA GLY 4 -3.729 12.708 -13.510 17 H SER 5 H SER 5 -0.848 12.707 -15.587 18 HA SER 5 HA SER 5 -0.677 9.997 -15.969 19 HB2 SER 5 1HB SER 5 1.336 12.205 -16.013 20 HB3 SER 5 2HB SER 5 1.916 10.542 -16.110 21 HG SER 5 HG SER 5 1.347 10.576 -18.120 22 H SER 6 H SER 6 0.628 8.335 -15.062 23 HA SER 6 HA SER 6 0.886 8.583 -12.162 24 HB2 SER 6 1HB SER 6 0.850 6.203 -12.077 25 HB3 SER 6 2HB SER 6 -0.364 6.662 -13.271 26 HG SER 6 HG SER 6 1.691 5.053 -13.609 27 H GLY 7 H GLY 7 2.772 7.700 -11.069 28 HA2 GLY 7 1HA GLY 7 5.219 8.080 -12.681 29 HA3 GLY 7 2HA GLY 7 5.084 8.506 -10.981 30 H GLY 8 H GLY 8 6.202 7.172 -9.733 31 HA2 GLY 8 1HA GLY 8 5.789 4.338 -9.842 32 HA3 GLY 8 2HA GLY 8 7.376 4.799 -10.440 33 H GLU 9 H GLU 9 8.038 6.867 -8.756 34 HA GLU 9 HA GLU 9 9.191 5.649 -6.599 35 HB2 GLU 9 1HB GLU 9 9.266 7.939 -5.548 36 HB3 GLU 9 2HB GLU 9 9.892 7.844 -7.188 37 HG2 GLU 9 1HG GLU 9 7.666 8.657 -7.990 38 HG3 GLU 9 2HG GLU 9 7.238 8.941 -6.304 39 H LYS 10 H LYS 10 8.024 4.299 -5.336 40 HA LYS 10 HA LYS 10 6.238 5.489 -3.412 41 HB2 LYS 10 1HB LYS 10 5.206 3.315 -5.244 42 HB3 LYS 10 2HB LYS 10 4.352 3.990 -3.862 43 HG2 LYS 10 1HG LYS 10 4.301 6.174 -4.968 44 HG3 LYS 10 2HG LYS 10 5.135 5.480 -6.361 45 HD2 LYS 10 1HD LYS 10 3.293 4.293 -7.042 46 HD3 LYS 10 2HD LYS 10 2.625 4.185 -5.412 47 HE2 LYS 10 1HE LYS 10 1.835 6.407 -5.484 48 HE3 LYS 10 2HE LYS 10 2.797 6.785 -6.912 49 HZ1 LYS 10 3HZ LYS 10 0.260 5.345 -6.707 50 HZ2 LYS 10 1HZ LYS 10 1.339 4.861 -7.917 51 HZ3 LYS 10 2HZ LYS 10 0.780 6.456 -7.872 52 HA PRO 11 HA PRO 11 8.665 2.286 -1.377 53 HB2 PRO 11 1HB PRO 11 8.206 3.222 1.130 54 HB3 PRO 11 2HB PRO 11 9.416 3.924 0.049 55 HG2 PRO 11 1HG PRO 11 6.636 4.861 0.646 56 HG3 PRO 11 2HG PRO 11 8.128 5.808 0.496 57 HD2 PRO 11 1HD PRO 11 6.305 5.635 -1.499 58 HD3 PRO 11 2HD PRO 11 8.045 5.807 -1.808 59 H TYR 12 H TYR 12 5.427 3.370 -0.416 60 HA TYR 12 HA TYR 12 4.860 0.858 0.909 61 HB2 TYR 12 1HB TYR 12 2.934 3.108 0.317 62 HB3 TYR 12 2HB TYR 12 2.759 1.838 1.524 63 HD1 TYR 12 HD1 TYR 12 4.048 1.912 3.603 64 HD2 TYR 12 HD2 TYR 12 4.331 5.033 0.726 65 HE1 TYR 12 HE1 TYR 12 5.105 3.360 5.287 66 HE2 TYR 12 HE2 TYR 12 5.390 6.489 2.401 67 HH TYR 12 HH TYR 12 5.960 6.721 4.543 68 H LYS 13 H LYS 13 3.905 -0.853 0.022 69 HA LYS 13 HA LYS 13 2.429 -0.508 -2.498 70 HB2 LYS 13 1HB LYS 13 4.547 -1.358 -3.189 71 HB3 LYS 13 2HB LYS 13 4.572 -2.541 -1.887 72 HG2 LYS 13 1HG LYS 13 2.369 -3.371 -3.100 73 HG3 LYS 13 2HG LYS 13 3.148 -2.603 -4.485 74 HD2 LYS 13 1HD LYS 13 5.056 -3.999 -4.299 75 HD3 LYS 13 2HD LYS 13 4.555 -4.588 -2.712 76 HE2 LYS 13 1HE LYS 13 3.876 -6.351 -3.984 77 HE3 LYS 13 2HE LYS 13 2.423 -5.357 -4.086 78 HZ1 LYS 13 3HZ LYS 13 3.156 -6.224 -6.252 79 HZ2 LYS 13 1HZ LYS 13 4.603 -5.360 -6.102 80 HZ3 LYS 13 2HZ LYS 13 3.132 -4.533 -6.210 81 H CYS 14 H CYS 14 0.613 -1.738 -2.727 82 HA CYS 14 HA CYS 14 -0.354 -3.058 -0.332 83 HB2 CYS 14 1HB CYS 14 -1.866 -1.549 -1.493 84 HB3 CYS 14 2HB CYS 14 -1.692 -2.474 -2.981 85 H GLU 15 H GLU 15 0.100 -5.125 0.004 86 HA GLU 15 HA GLU 15 0.901 -6.885 -2.109 87 HB2 GLU 15 1HB GLU 15 0.240 -7.539 0.768 88 HB3 GLU 15 2HB GLU 15 1.109 -8.571 -0.360 89 HG2 GLU 15 1HG GLU 15 2.795 -6.651 -0.518 90 HG3 GLU 15 2HG GLU 15 2.016 -6.030 0.936 91 H THR 16 H THR 16 -2.062 -6.185 -0.446 92 HA THR 16 HA THR 16 -3.510 -8.520 -0.885 93 HB THR 16 HB THR 16 -4.438 -5.649 -0.788 94 HG1 THR 16 HG1 THR 16 -4.145 -6.044 1.266 95 HG21 THR 16 3HG2 THR 16 -6.704 -6.657 -0.357 96 HG22 THR 16 1HG2 THR 16 -6.051 -8.194 -0.922 97 HG23 THR 16 2HG2 THR 16 -6.123 -6.811 -2.015 98 H CYS 17 H CYS 17 -2.927 -5.771 -3.023 99 HA CYS 17 HA CYS 17 -4.033 -7.363 -5.240 100 HB2 CYS 17 1HB CYS 17 -4.960 -5.381 -6.247 101 HB3 CYS 17 2HB CYS 17 -5.546 -5.482 -4.590 102 H GLY 18 H GLY 18 -1.775 -4.831 -4.243 103 HA2 GLY 18 1HA GLY 18 0.544 -5.187 -5.075 104 HA3 GLY 18 2HA GLY 18 -0.179 -5.440 -6.656 105 H ALA 19 H ALA 19 -1.678 -3.020 -4.784 106 HA ALA 19 HA ALA 19 -1.007 -0.984 -6.649 107 HB1 ALA 19 3HB ALA 19 -2.865 -1.330 -4.525 108 HB2 ALA 19 1HB ALA 19 -2.007 0.191 -4.275 109 HB3 ALA 19 2HB ALA 19 -2.854 -0.106 -5.794 110 H ARG 20 H ARG 20 -0.360 1.270 -5.566 111 HA ARG 20 HA ARG 20 1.802 0.979 -3.649 112 HB2 ARG 20 1HB ARG 20 2.222 1.760 -6.523 113 HB3 ARG 20 2HB ARG 20 3.314 2.314 -5.261 114 HG2 ARG 20 1HG ARG 20 4.019 0.126 -4.765 115 HG3 ARG 20 2HG ARG 20 2.689 -0.591 -5.676 116 HD2 ARG 20 1HD ARG 20 5.038 0.936 -6.788 117 HD3 ARG 20 2HD ARG 20 4.728 -0.793 -6.946 118 HE ARG 20 HE ARG 20 2.540 0.266 -8.071 119 HH11 ARG 20 1HH1 ARG 20 5.928 0.946 -8.496 120 HH12 ARG 20 2HH1 ARG 20 5.758 1.425 -10.152 121 HH21 ARG 20 1HH2 ARG 20 2.303 0.895 -10.251 122 HH22 ARG 20 2HH2 ARG 20 3.696 1.396 -11.150 123 H PHE 21 H PHE 21 2.630 3.050 -2.899 124 HA PHE 21 HA PHE 21 1.239 5.457 -3.660 125 HB2 PHE 21 1HB PHE 21 0.912 4.526 -0.809 126 HB3 PHE 21 2HB PHE 21 0.130 5.891 -1.599 127 HD1 PHE 21 HD2 PHE 21 0.369 2.183 -1.746 128 HD2 PHE 21 HD1 PHE 21 -1.990 5.647 -2.487 129 HE1 PHE 21 HE2 PHE 21 -1.551 0.751 -2.306 130 HE2 PHE 21 HE1 PHE 21 -3.915 4.221 -3.047 131 HZ PHE 21 HZ PHE 21 -3.697 1.769 -2.959 132 H VAL 22 H VAL 22 2.063 7.360 -2.536 133 HA VAL 22 HA VAL 22 4.895 7.140 -2.087 134 HB VAL 22 HB VAL 22 4.301 9.078 -3.257 135 HG11 VAL 22 1HG1 VAL 22 2.139 9.411 -1.197 136 HG12 VAL 22 2HG1 VAL 22 2.623 10.722 -2.276 137 HG13 VAL 22 3HG1 VAL 22 1.976 9.222 -2.943 138 HG21 VAL 22 3HG2 VAL 22 5.938 9.470 -1.447 139 HG22 VAL 22 1HG2 VAL 22 5.009 10.913 -1.852 140 HG23 VAL 22 2HG2 VAL 22 4.619 9.993 -0.399 141 H GLN 23 H GLN 23 2.036 7.765 -0.126 142 HA GLN 23 HA GLN 23 3.735 7.596 2.275 143 HB2 GLN 23 1HB GLN 23 1.452 9.407 1.623 144 HB3 GLN 23 2HB GLN 23 1.674 8.903 3.293 145 HG2 GLN 23 1HG GLN 23 4.019 9.974 1.818 146 HG3 GLN 23 2HG GLN 23 2.771 11.099 2.351 147 HE21 GLN 23 1HE2 GLN 23 5.108 8.712 3.402 148 HE22 GLN 23 2HE2 GLN 23 5.222 9.263 5.036 149 H VAL 24 H VAL 24 2.994 6.368 3.995 150 HA VAL 24 HA VAL 24 1.499 4.087 3.410 151 HB VAL 24 HB VAL 24 3.115 4.677 5.425 152 HG11 VAL 24 1HG1 VAL 24 0.396 4.984 6.690 153 HG12 VAL 24 2HG1 VAL 24 1.959 5.020 7.507 154 HG13 VAL 24 3HG1 VAL 24 1.517 6.312 6.390 155 HG21 VAL 24 3HG2 VAL 24 1.914 2.476 4.683 156 HG22 VAL 24 1HG2 VAL 24 2.637 2.595 6.287 157 HG23 VAL 24 2HG2 VAL 24 0.896 2.793 6.088 158 H ALA 25 H ALA 25 0.539 7.114 4.970 159 HA ALA 25 HA ALA 25 -1.967 6.506 5.892 160 HB1 ALA 25 3HB ALA 25 -0.700 8.967 4.844 161 HB2 ALA 25 1HB ALA 25 -2.458 8.971 4.995 162 HB3 ALA 25 2HB ALA 25 -1.451 8.653 6.409 163 H HIS 26 H HIS 26 -0.923 6.831 2.588 164 HA HIS 26 HA HIS 26 -3.610 6.928 1.525 165 HB2 HIS 26 1HB HIS 26 -1.086 6.396 -0.037 166 HB3 HIS 26 2HB HIS 26 -2.602 7.076 -0.621 167 HD1 HIS 26 HD1 HIS 26 -0.530 8.834 -1.427 168 HD2 HIS 26 HD2 HIS 26 -1.883 8.958 2.499 169 HE1 HIS 26 HE1 HIS 26 0.158 11.088 -0.549 170 H LEU 27 H LEU 27 -0.917 4.597 1.462 171 HA LEU 27 HA LEU 27 -2.297 2.543 0.144 172 HB2 LEU 27 1HB LEU 27 0.024 2.333 0.222 173 HB3 LEU 27 2HB LEU 27 0.082 2.606 1.962 174 HG LEU 27 HG LEU 27 -0.860 0.382 2.345 175 HD11 LEU 27 1HD1 LEU 27 -2.150 0.295 0.212 176 HD12 LEU 27 2HD1 LEU 27 -1.240 -1.172 0.572 177 HD13 LEU 27 3HD1 LEU 27 -0.635 -0.032 -0.630 178 HD21 LEU 27 3HD2 LEU 27 1.077 -0.936 1.442 179 HD22 LEU 27 1HD2 LEU 27 1.514 0.511 2.351 180 HD23 LEU 27 2HD2 LEU 27 1.582 0.523 0.588 181 H ARG 28 H ARG 28 -1.646 2.939 3.629 182 HA ARG 28 HA ARG 28 -3.122 0.744 4.511 183 HB2 ARG 28 1HB ARG 28 -2.958 1.655 6.681 184 HB3 ARG 28 2HB ARG 28 -1.515 2.206 5.841 185 HG2 ARG 28 1HG ARG 28 -2.625 4.372 5.425 186 HG3 ARG 28 2HG ARG 28 -4.006 3.810 6.371 187 HD2 ARG 28 1HD ARG 28 -1.194 3.931 7.442 188 HD3 ARG 28 2HD ARG 28 -2.353 5.249 7.609 189 HE ARG 28 HE ARG 28 -2.276 2.828 9.122 190 HH11 ARG 28 1HH1 ARG 28 -4.387 5.288 7.853 191 HH12 ARG 28 2HH1 ARG 28 -5.605 5.051 9.062 192 HH21 ARG 28 1HH2 ARG 28 -3.871 2.507 10.720 193 HH22 ARG 28 2HH2 ARG 28 -5.310 3.469 10.693 194 H ALA 29 H ALA 29 -4.172 3.770 3.280 195 HA ALA 29 HA ALA 29 -6.835 3.537 4.438 196 HB1 ALA 29 3HB ALA 29 -7.253 5.666 3.176 197 HB2 ALA 29 1HB ALA 29 -5.977 5.753 4.391 198 HB3 ALA 29 2HB ALA 29 -5.560 5.623 2.682 199 H HIS 30 H HIS 30 -5.176 2.478 1.698 200 HA HIS 30 HA HIS 30 -7.601 2.335 0.060 201 HB2 HIS 30 1HB HIS 30 -5.952 3.047 -1.370 202 HB3 HIS 30 2HB HIS 30 -4.680 2.194 -0.502 203 HD1 HIS 30 HD1 HIS 30 -6.952 1.905 -3.376 204 HD2 HIS 30 HD2 HIS 30 -4.510 -0.609 -1.145 205 HE1 HIS 30 HE1 HIS 30 -6.696 -0.182 -4.756 206 H VAL 31 H VAL 31 -5.234 0.325 1.699 207 HA VAL 31 HA VAL 31 -5.989 -2.168 0.658 208 HB VAL 31 HB VAL 31 -5.178 -2.926 3.072 209 HG11 VAL 31 1HG1 VAL 31 -2.858 -2.826 2.232 210 HG12 VAL 31 2HG1 VAL 31 -3.998 -3.409 1.018 211 HG13 VAL 31 3HG1 VAL 31 -3.396 -1.752 0.941 212 HG21 VAL 31 3HG2 VAL 31 -4.181 -1.383 4.375 213 HG22 VAL 31 1HG2 VAL 31 -3.542 -0.484 2.998 214 HG23 VAL 31 2HG2 VAL 31 -5.216 -0.252 3.503 215 H LEU 32 H LEU 32 -7.571 -0.077 2.870 216 HA LEU 32 HA LEU 32 -9.085 -1.983 4.312 217 HB2 LEU 32 1HB LEU 32 -9.881 0.849 3.672 218 HB3 LEU 32 2HB LEU 32 -10.447 -0.142 5.014 219 HG LEU 32 HG LEU 32 -7.614 0.842 4.692 220 HD11 LEU 32 1HD1 LEU 32 -9.457 1.874 6.782 221 HD12 LEU 32 2HD1 LEU 32 -9.606 2.511 5.144 222 HD13 LEU 32 3HD1 LEU 32 -8.074 2.647 6.007 223 HD21 LEU 32 3HD2 LEU 32 -8.337 -1.296 6.080 224 HD22 LEU 32 1HD2 LEU 32 -8.778 -0.068 7.267 225 HD23 LEU 32 2HD2 LEU 32 -7.119 -0.166 6.674 226 H ILE 33 H ILE 33 -9.312 -0.773 1.115 227 HA ILE 33 HA ILE 33 -12.047 -0.996 0.600 228 HB ILE 33 HB ILE 33 -11.500 -1.146 -1.728 229 HG12 ILE 33 1HG1 ILE 33 -8.775 -1.989 -0.746 230 HG13 ILE 33 2HG1 ILE 33 -9.871 -2.881 -1.795 231 HG21 ILE 33 1HG2 ILE 33 -9.600 0.643 -1.804 232 HG22 ILE 33 2HG2 ILE 33 -11.162 1.038 -1.090 233 HG23 ILE 33 3HG2 ILE 33 -9.795 0.637 -0.052 234 HD11 ILE 33 3HD1 ILE 33 -8.108 -0.562 -2.436 235 HD12 ILE 33 1HD1 ILE 33 -8.272 -2.112 -3.262 236 HD13 ILE 33 2HD1 ILE 33 -9.538 -0.892 -3.414 237 H HIS 34 H HIS 34 -9.477 -3.432 0.385 238 HA HIS 34 HA HIS 34 -11.250 -5.509 -0.481 239 HB2 HIS 34 1HB HIS 34 -8.575 -6.016 0.786 240 HB3 HIS 34 2HB HIS 34 -9.377 -6.911 -0.502 241 HD1 HIS 34 HD1 HIS 34 -9.240 -5.900 -2.906 242 HD2 HIS 34 HD2 HIS 34 -7.026 -3.865 -0.039 243 HE1 HIS 34 HE1 HIS 34 -7.696 -4.390 -4.195 244 H THR 35 H THR 35 -9.383 -5.087 2.532 245 HA THR 35 HA THR 35 -10.770 -7.109 3.940 246 HB THR 35 HB THR 35 -8.524 -6.320 4.599 247 HG1 THR 35 HG1 THR 35 -9.204 -7.200 6.398 248 HG21 THR 35 3HG2 THR 35 -10.039 -3.804 5.219 249 HG22 THR 35 1HG2 THR 35 -8.536 -4.000 4.318 250 HG23 THR 35 2HG2 THR 35 -8.547 -4.201 6.070 251 H GLY 36 H GLY 36 -12.357 -6.970 5.542 252 HA2 GLY 36 1HA GLY 36 -13.624 -5.205 6.915 253 HA3 GLY 36 2HA GLY 36 -14.041 -4.563 5.333 254 H SER 37 H SER 37 -16.239 -4.929 6.315 255 HA SER 37 HA SER 37 -17.163 -7.651 6.478 256 HB2 SER 37 1HB SER 37 -18.667 -5.024 6.528 257 HB3 SER 37 2HB SER 37 -19.398 -6.603 6.818 258 HG SER 37 HG SER 37 -17.154 -5.903 8.323 259 H GLY 38 H GLY 38 -16.624 -8.414 4.368 260 HA2 GLY 38 1HA GLY 38 -17.142 -8.988 2.208 261 HA3 GLY 38 2HA GLY 38 -18.756 -8.380 2.546 262 HA PRO 39 HA PRO 39 -17.144 -5.695 -0.787 263 HB2 PRO 39 1HB PRO 39 -19.574 -5.305 -1.931 264 HB3 PRO 39 2HB PRO 39 -18.569 -6.718 -2.271 265 HG2 PRO 39 1HG PRO 39 -20.901 -6.456 -0.413 266 HG3 PRO 39 2HG PRO 39 -20.510 -7.769 -1.539 267 HD2 PRO 39 1HD PRO 39 -20.005 -7.928 1.117 268 HD3 PRO 39 2HD PRO 39 -18.979 -8.716 -0.099 269 H SER 40 H SER 40 -16.673 -4.051 0.754 270 HA SER 40 HA SER 40 -18.194 -2.544 2.343 271 HB2 SER 40 1HB SER 40 -15.977 -1.762 0.489 272 HB3 SER 40 2HB SER 40 -16.819 -0.505 1.397 273 HG SER 40 HG SER 40 -15.231 -2.623 2.332 274 H SER 41 H SER 41 -17.891 -1.866 -1.144 275 HA SER 41 HA SER 41 -20.652 -1.149 -1.358 276 HB2 SER 41 1HB SER 41 -20.390 1.193 -1.906 277 HB3 SER 41 2HB SER 41 -19.680 0.908 -0.317 278 HG SER 41 HG SER 41 -18.459 1.571 -2.724 279 H GLY 42 H GLY 42 -21.312 -0.775 -3.536 280 HA2 GLY 42 1HA GLY 42 -21.045 -0.744 -5.857 281 HA3 GLY 42 2HA GLY 42 -19.317 -0.971 -5.638
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