NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
492454 | 2kbu | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -18.408 6.440 0.732 2 H2 LYS 1 H2 LYS 1 -18.488 4.947 0.022 3 H3 LYS 1 H3 LYS 1 -18.067 6.253 -0.873 4 HA LYS 1 HA LYS 1 -16.006 6.498 0.279 5 HB2 LYS 1 HB2 LYS 1 -17.035 5.691 2.476 6 HB3 LYS 1 HB3 LYS 1 -16.843 4.040 1.875 7 HG2 LYS 1 HG2 LYS 1 -14.365 4.456 1.694 8 HG3 LYS 1 HG3 LYS 1 -14.630 6.080 2.356 9 HD2 LYS 1 HD2 LYS 1 -15.381 5.172 4.480 10 HD3 LYS 1 HD3 LYS 1 -15.444 3.537 3.813 11 HE2 LYS 1 HE2 LYS 1 -13.476 3.705 5.194 12 HE3 LYS 1 HE3 LYS 1 -13.008 3.521 3.503 13 HZ1 LYS 1 HZ1 LYS 1 -12.932 6.038 5.077 14 HZ2 LYS 1 HZ2 LYS 1 -11.635 5.228 4.420 15 HZ3 LYS 1 HZ3 LYS 1 -12.658 5.956 3.441 16 H LEU 2 H LEU 2 -14.254 5.560 -0.793 17 HA LEU 2 HA LEU 2 -14.789 3.414 -2.697 18 HB2 LEU 2 HB2 LEU 2 -12.355 5.057 -1.944 19 HB3 LEU 2 HB3 LEU 2 -12.211 3.713 -3.053 20 HG LEU 2 HG LEU 2 -14.028 6.117 -3.512 21 HD11 LEU 2 HD11 LEU 2 -12.385 6.659 -5.312 22 HD12 LEU 2 HD12 LEU 2 -11.679 6.769 -3.710 23 HD13 LEU 2 HD13 LEU 2 -11.337 5.352 -4.734 24 HD21 LEU 2 HD21 LEU 2 -13.302 3.765 -5.324 25 HD22 LEU 2 HD22 LEU 2 -14.921 4.148 -4.690 26 HD23 LEU 2 HD23 LEU 2 -14.158 5.226 -5.849 27 HA PRO 3 HA PRO 3 -14.075 -0.212 -0.779 28 HB2 PRO 3 HB2 PRO 3 -11.588 -0.812 -2.392 29 HB3 PRO 3 HB3 PRO 3 -12.966 -1.895 -2.006 30 HG2 PRO 3 HG2 PRO 3 -12.912 -0.633 -4.387 31 HG3 PRO 3 HG3 PRO 3 -14.437 -0.641 -3.440 32 HD2 PRO 3 HD2 PRO 3 -12.365 1.550 -3.662 33 HD3 PRO 3 HD3 PRO 3 -14.149 1.670 -3.737 34 HA PRO 4 HA PRO 4 -11.002 0.347 2.499 35 HB2 PRO 4 HB2 PRO 4 -12.114 -1.187 4.406 36 HB3 PRO 4 HB3 PRO 4 -13.014 0.189 3.716 37 HG2 PRO 4 HG2 PRO 4 -13.201 -2.734 2.882 38 HG3 PRO 4 HG3 PRO 4 -14.539 -1.646 3.383 39 HD2 PRO 4 HD2 PRO 4 -13.834 -2.019 0.752 40 HD3 PRO 4 HD3 PRO 4 -14.463 -0.461 1.372 41 H GLY 5 H GLY 5 -10.188 -1.598 4.259 42 HA2 GLY 5 HA2 GLY 5 -9.018 -3.573 4.583 43 HA3 GLY 5 HA3 GLY 5 -9.282 -4.018 2.894 44 H TRP 6 H TRP 6 -7.771 -0.946 3.856 45 HA TRP 6 HA TRP 6 -5.309 -1.787 2.440 46 HB2 TRP 6 HB2 TRP 6 -6.344 0.957 3.123 47 HB3 TRP 6 HB3 TRP 6 -4.862 0.610 2.237 48 HD1 TRP 6 HD1 TRP 6 -8.662 0.446 1.803 49 HE1 TRP 6 HE1 TRP 6 -9.248 0.779 -0.628 50 HE3 TRP 6 HE3 TRP 6 -3.946 0.527 -0.044 51 HZ2 TRP 6 HZ2 TRP 6 -7.734 1.507 -3.085 52 HZ3 TRP 6 HZ3 TRP 6 -3.515 0.924 -2.465 53 HH2 TRP 6 HH2 TRP 6 -5.420 1.411 -3.991 54 H GLU 7 H GLU 7 -3.278 -1.076 3.091 55 HA GLU 7 HA GLU 7 -2.879 -0.134 5.882 56 HB2 GLU 7 HB2 GLU 7 -1.497 -2.374 4.379 57 HB3 GLU 7 HB3 GLU 7 -0.810 -1.582 5.803 58 HG2 GLU 7 HG2 GLU 7 -2.720 -2.381 7.170 59 HG3 GLU 7 HG3 GLU 7 -3.352 -3.242 5.746 60 H LYS 8 H LYS 8 -0.878 1.034 6.113 61 HA LYS 8 HA LYS 8 0.264 2.136 3.613 62 HB2 LYS 8 HB2 LYS 8 1.526 3.666 5.249 63 HB3 LYS 8 HB3 LYS 8 -0.153 3.950 4.855 64 HG2 LYS 8 HG2 LYS 8 0.219 4.385 7.171 65 HG3 LYS 8 HG3 LYS 8 -0.903 3.044 6.992 66 HD2 LYS 8 HD2 LYS 8 0.864 1.437 7.570 67 HD3 LYS 8 HD3 LYS 8 2.075 2.725 7.630 68 HE2 LYS 8 HE2 LYS 8 -0.398 2.516 9.415 69 HE3 LYS 8 HE3 LYS 8 1.214 1.952 9.869 70 HZ1 LYS 8 HZ1 LYS 8 2.018 4.216 9.662 71 HZ2 LYS 8 HZ2 LYS 8 0.529 4.756 9.219 72 HZ3 LYS 8 HZ3 LYS 8 0.772 4.162 10.732 73 H ARG 9 H ARG 9 2.308 1.985 2.986 74 HA ARG 9 HA ARG 9 4.125 -0.034 4.266 75 HB2 ARG 9 HB2 ARG 9 3.397 0.275 1.332 76 HB3 ARG 9 HB3 ARG 9 4.610 -0.836 1.968 77 HG2 ARG 9 HG2 ARG 9 1.600 -1.050 2.435 78 HG3 ARG 9 HG3 ARG 9 2.532 -1.914 1.218 79 HD2 ARG 9 HD2 ARG 9 2.250 -3.480 2.896 80 HD3 ARG 9 HD3 ARG 9 3.916 -2.925 3.111 81 HE ARG 9 HE ARG 9 2.724 -1.277 4.824 82 HH11 ARG 9 HH11 ARG 9 1.592 -4.648 4.489 83 HH12 ARG 9 HH12 ARG 9 0.712 -4.443 6.017 84 HH21 ARG 9 HH21 ARG 9 1.687 -1.295 6.635 85 HH22 ARG 9 HH22 ARG 9 0.803 -2.773 7.142 86 H MET 10 H MET 10 6.314 0.107 3.552 87 HA MET 10 HA MET 10 7.175 2.853 2.927 88 HB2 MET 10 HB2 MET 10 9.091 2.351 4.206 89 HB3 MET 10 HB3 MET 10 7.675 1.747 5.088 90 HG2 MET 10 HG2 MET 10 9.576 0.002 3.492 91 HG3 MET 10 HG3 MET 10 9.650 0.266 5.225 92 HE1 MET 10 HE1 MET 10 9.554 -2.579 3.709 93 HE2 MET 10 HE2 MET 10 9.766 -2.385 5.467 94 HE3 MET 10 HE3 MET 10 8.517 -3.483 4.837 95 H SER 11 H SER 11 8.409 3.368 1.238 96 HA SER 11 HA SER 11 9.871 1.280 -0.304 97 HB2 SER 11 HB2 SER 11 9.214 2.363 -2.401 98 HB3 SER 11 HB3 SER 11 7.787 1.754 -1.547 99 HG SER 11 HG SER 11 8.772 4.370 -1.234 100 HN CFD 12 HN CFD 12 11.718 1.951 0.829 101 HA CFD 12 HA CFD 12 13.228 4.102 -0.209 102 H1G1 CFD 12 H1G CFD 12 13.126 6.275 0.133 103 HD CFD 12 HD CFD 12 12.546 7.384 2.884 104 H ARG 13 H ARG 13 10.446 6.203 0.492 105 HA ARG 13 HA ARG 13 8.350 8.264 1.032 106 HB2 ARG 13 HB2 ARG 13 9.137 8.159 -1.272 107 HB3 ARG 13 HB3 ARG 13 8.809 6.439 -1.356 108 HG2 ARG 13 HG2 ARG 13 7.164 7.764 -2.565 109 HG3 ARG 13 HG3 ARG 13 6.404 6.821 -1.291 110 HD2 ARG 13 HD2 ARG 13 5.832 8.720 -0.040 111 HD3 ARG 13 HD3 ARG 13 7.223 9.633 -0.620 112 HE ARG 13 HE ARG 13 6.081 10.338 -2.478 113 HH11 ARG 13 HH11 ARG 13 3.900 8.003 -0.877 114 HH12 ARG 13 HH12 ARG 13 2.528 8.602 -1.791 115 HH21 ARG 13 HH21 ARG 13 4.283 11.031 -3.527 116 HH22 ARG 13 HH22 ARG 13 2.732 10.295 -3.219 117 H VAL 14 H VAL 14 6.350 7.734 1.676 118 HA VAL 14 HA VAL 14 5.731 4.933 2.430 119 HB VAL 14 HB VAL 14 4.248 7.515 3.057 120 HG11 VAL 14 HG11 VAL 14 2.729 5.570 3.141 121 HG12 VAL 14 HG12 VAL 14 3.883 4.699 4.178 122 HG13 VAL 14 HG13 VAL 14 3.067 6.163 4.766 123 HG21 VAL 14 HG21 VAL 14 6.426 7.482 4.189 124 HG22 VAL 14 HG22 VAL 14 5.136 7.203 5.360 125 HG23 VAL 14 HG23 VAL 14 6.118 5.836 4.787 126 H TYR 15 H TYR 15 4.017 3.829 1.526 127 HA TYR 15 HA TYR 15 2.290 5.168 -0.469 128 HB2 TYR 15 HB2 TYR 15 2.568 3.527 -2.134 129 HB3 TYR 15 HB3 TYR 15 4.166 4.066 -1.698 130 HD1 TYR 15 HD1 TYR 15 5.732 2.549 -0.515 131 HD2 TYR 15 HD2 TYR 15 1.812 1.241 -1.746 132 HE1 TYR 15 HE1 TYR 15 6.476 0.177 -0.388 133 HE2 TYR 15 HE2 TYR 15 2.555 -1.135 -1.577 134 HH TYR 15 HH TYR 15 5.892 -2.004 -0.651 135 H TYR 16 H TYR 16 0.447 3.526 -1.104 136 HA TYR 16 HA TYR 16 -0.545 2.261 1.422 137 HB2 TYR 16 HB2 TYR 16 -1.457 4.558 0.505 138 HB3 TYR 16 HB3 TYR 16 -2.262 3.539 -0.676 139 HD1 TYR 16 HD1 TYR 16 -1.760 3.470 3.088 140 HD2 TYR 16 HD2 TYR 16 -4.504 3.336 -0.218 141 HE1 TYR 16 HE1 TYR 16 -3.681 3.458 4.682 142 HE2 TYR 16 HE2 TYR 16 -6.428 3.375 1.371 143 HH TYR 16 HH TYR 16 -7.125 3.610 3.546 144 H PHE 17 H PHE 17 -1.366 0.256 1.252 145 HA PHE 17 HA PHE 17 -1.828 -0.942 -1.428 146 HB2 PHE 17 HB2 PHE 17 0.035 -2.088 -1.298 147 HB3 PHE 17 HB3 PHE 17 0.406 -1.374 0.276 148 HD1 PHE 17 HD1 PHE 17 -0.554 -2.497 2.370 149 HD2 PHE 17 HD2 PHE 17 -0.478 -4.422 -1.483 150 HE1 PHE 17 HE1 PHE 17 -0.929 -4.702 3.466 151 HE2 PHE 17 HE2 PHE 17 -0.778 -6.626 -0.385 152 HZ PHE 17 HZ PHE 17 -0.989 -6.773 2.088 153 H ASN 18 H ASN 18 -3.219 -2.619 -1.577 154 HA ASN 18 HA ASN 18 -5.188 -2.719 0.631 155 HB2 ASN 18 HB2 ASN 18 -5.731 -2.229 -1.835 156 HB3 ASN 18 HB3 ASN 18 -5.545 -3.952 -2.098 157 HD21 ASN 18 HD21 ASN 18 -7.464 -1.483 -0.290 158 HD22 ASN 18 HD22 ASN 18 -8.764 -2.583 0.120 159 H HIS 19 H HIS 19 -5.200 -4.317 2.109 160 HA HIS 19 HA HIS 19 -3.434 -6.602 1.883 161 HB2 HIS 19 HB2 HIS 19 -4.037 -5.295 3.961 162 HB3 HIS 19 HB3 HIS 19 -5.636 -6.035 3.916 163 HD1 HIS 19 HD1 HIS 19 -2.377 -6.455 5.477 164 HD2 HIS 19 HD2 HIS 19 -5.435 -8.986 4.016 165 HE1 HIS 19 HE1 HIS 19 -1.998 -8.767 6.556 166 HE2 HIS 19 HE2 HIS 19 -3.875 -10.302 5.655 167 H ILE 20 H ILE 20 -6.751 -6.074 0.965 168 HA ILE 20 HA ILE 20 -7.352 -8.983 0.830 169 HB ILE 20 HB ILE 20 -9.101 -6.550 0.287 170 HG12 ILE 20 HG12 ILE 20 -8.974 -8.350 2.751 171 HG13 ILE 20 HG13 ILE 20 -8.374 -6.694 2.667 172 HG21 ILE 20 HG21 ILE 20 -9.847 -9.495 0.582 173 HG22 ILE 20 HG22 ILE 20 -10.988 -8.150 0.360 174 HG23 ILE 20 HG23 ILE 20 -9.879 -8.561 -0.928 175 HD11 ILE 20 HD11 ILE 20 -11.276 -7.554 2.512 176 HD12 ILE 20 HD12 ILE 20 -10.470 -6.602 3.765 177 HD13 ILE 20 HD13 ILE 20 -10.703 -5.905 2.149 178 H THR 21 H THR 21 -7.025 -6.165 -1.292 179 HA THR 21 HA THR 21 -7.449 -7.832 -3.700 180 HB THR 21 HB THR 21 -7.290 -4.832 -3.786 181 HG1 THR 21 HG1 THR 21 -8.585 -5.127 -2.023 182 HG21 THR 21 HG21 THR 21 -9.171 -5.108 -5.367 183 HG22 THR 21 HG22 THR 21 -7.768 -6.054 -5.884 184 HG23 THR 21 HG23 THR 21 -9.145 -6.864 -5.102 185 H ASN 22 H ASN 22 -4.783 -6.652 -2.055 186 HA ASN 22 HA ASN 22 -2.696 -6.301 -2.380 187 HB2 ASN 22 HB2 ASN 22 -1.575 -7.985 -3.276 188 HB3 ASN 22 HB3 ASN 22 -3.167 -8.683 -3.541 189 HD21 ASN 22 HD21 ASN 22 -4.083 -7.484 -5.872 190 HD22 ASN 22 HD22 ASN 22 -2.903 -7.850 -7.149 191 H ALA 23 H ALA 23 -4.601 -4.821 -4.695 192 HA ALA 23 HA ALA 23 -2.770 -3.442 -6.272 193 HB1 ALA 23 HB1 ALA 23 -4.496 -1.674 -6.369 194 HB2 ALA 23 HB2 ALA 23 -5.226 -3.287 -6.481 195 HB3 ALA 23 HB3 ALA 23 -5.307 -2.376 -4.954 196 H SER 24 H SER 24 -1.402 -1.726 -6.046 197 HA SER 24 HA SER 24 -0.944 -0.553 -3.344 198 HB2 SER 24 HB2 SER 24 1.445 -1.015 -3.628 199 HB3 SER 24 HB3 SER 24 0.526 -2.535 -3.698 200 HG SER 24 HG SER 24 1.070 -1.071 -6.048 201 H GLN 25 H GLN 25 -0.576 1.634 -3.411 202 HA GLN 25 HA GLN 25 0.460 2.933 -5.850 203 HB2 GLN 25 HB2 GLN 25 -1.580 4.451 -5.901 204 HB3 GLN 25 HB3 GLN 25 -1.784 2.813 -6.511 205 HG2 GLN 25 HG2 GLN 25 -2.888 2.124 -4.407 206 HG3 GLN 25 HG3 GLN 25 -2.678 3.748 -3.750 207 HE21 GLN 25 HE21 GLN 25 -4.086 5.432 -4.539 208 HE22 GLN 25 HE22 GLN 25 -5.435 5.042 -5.637 209 H PHE 26 H PHE 26 1.084 5.110 -5.583 210 HA PHE 26 HA PHE 26 2.163 5.657 -2.977 211 HB2 PHE 26 HB2 PHE 26 2.134 7.198 -5.592 212 HB3 PHE 26 HB3 PHE 26 2.955 7.771 -4.154 213 HD1 PHE 26 HD1 PHE 26 4.653 6.181 -2.995 214 HD2 PHE 26 HD2 PHE 26 3.331 5.729 -7.075 215 HE1 PHE 26 HE1 PHE 26 6.647 4.786 -3.489 216 HE2 PHE 26 HE2 PHE 26 5.332 4.342 -7.565 217 HZ PHE 26 HZ PHE 26 6.988 3.866 -5.772 218 H GLU 27 H GLU 27 -0.785 6.776 -4.518 219 HA GLU 27 HA GLU 27 -1.284 8.667 -2.269 220 HB2 GLU 27 HB2 GLU 27 -2.455 8.576 -5.072 221 HB3 GLU 27 HB3 GLU 27 -2.813 9.790 -3.830 222 HG2 GLU 27 HG2 GLU 27 -0.240 9.350 -5.381 223 HG3 GLU 27 HG3 GLU 27 -1.271 10.781 -5.385 224 H ARG 28 H ARG 28 -3.287 8.509 -1.198 225 HA ARG 28 HA ARG 28 -4.384 5.814 -1.262 226 HB2 ARG 28 HB2 ARG 28 -5.600 6.494 0.774 227 HB3 ARG 28 HB3 ARG 28 -3.857 6.728 0.885 228 HG2 ARG 28 HG2 ARG 28 -4.058 9.106 0.643 229 HG3 ARG 28 HG3 ARG 28 -5.762 9.014 0.190 230 HD2 ARG 28 HD2 ARG 28 -4.822 7.994 2.895 231 HD3 ARG 28 HD3 ARG 28 -5.085 9.709 2.610 232 HE ARG 28 HE ARG 28 -7.384 9.393 2.285 233 HH11 ARG 28 HH11 ARG 28 -5.960 6.240 3.003 234 HH12 ARG 28 HH12 ARG 28 -7.541 5.522 3.241 235 HH21 ARG 28 HH21 ARG 28 -9.315 8.422 2.906 236 HH22 ARG 28 HH22 ARG 28 -9.297 6.738 3.430 237 HA PRO 29 HA PRO 29 -8.369 6.697 -3.257 238 HB2 PRO 29 HB2 PRO 29 -9.868 4.679 -2.346 239 HB3 PRO 29 HB3 PRO 29 -8.431 4.350 -3.354 240 HG2 PRO 29 HG2 PRO 29 -8.494 4.446 -0.291 241 HG3 PRO 29 HG3 PRO 29 -8.103 3.067 -1.321 242 HD2 PRO 29 HD2 PRO 29 -6.186 4.716 -0.427 243 HD3 PRO 29 HD3 PRO 29 -6.118 4.145 -2.129 244 H SER 30 H SER 30 -10.825 6.548 -2.106 245 HA SER 30 HA SER 30 -10.864 8.292 0.243 246 HB2 SER 30 HB2 SER 30 -12.773 8.897 -0.690 247 HB3 SER 30 HB3 SER 30 -12.763 7.535 -1.809 248 HG SER 30 HG SER 30 -13.446 7.146 0.874 249 H GLY 31 H GLY 31 -10.110 5.143 0.017 250 HA2 GLY 31 HA2 GLY 31 -11.500 3.861 2.223 251 HA3 GLY 31 HA3 GLY 31 -10.119 3.253 1.322 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -12.088 2.845 -3.395 2 H2 LYS 1 H2 LYS 1 -10.777 2.351 -2.546 3 H3 LYS 1 H3 LYS 1 -11.242 3.899 -2.424 4 HA LYS 1 HA LYS 1 -13.331 3.144 -1.327 5 HB2 LYS 1 HB2 LYS 1 -13.509 0.966 -2.316 6 HB3 LYS 1 HB3 LYS 1 -11.933 0.496 -1.768 7 HG2 LYS 1 HG2 LYS 1 -13.141 0.861 0.680 8 HG3 LYS 1 HG3 LYS 1 -14.528 0.480 -0.328 9 HD2 LYS 1 HD2 LYS 1 -13.898 -1.631 0.333 10 HD3 LYS 1 HD3 LYS 1 -12.984 -1.535 -1.165 11 HE2 LYS 1 HE2 LYS 1 -11.982 -1.127 1.692 12 HE3 LYS 1 HE3 LYS 1 -11.628 -2.490 0.639 13 HZ1 LYS 1 HZ1 LYS 1 -9.783 -0.971 0.715 14 HZ2 LYS 1 HZ2 LYS 1 -10.372 -0.893 -0.822 15 HZ3 LYS 1 HZ3 LYS 1 -10.699 0.302 0.269 16 H LEU 2 H LEU 2 -12.485 4.701 0.044 17 HA LEU 2 HA LEU 2 -10.225 4.438 1.708 18 HB2 LEU 2 HB2 LEU 2 -11.437 6.488 1.074 19 HB3 LEU 2 HB3 LEU 2 -12.790 6.034 2.083 20 HG LEU 2 HG LEU 2 -11.243 7.817 2.914 21 HD11 LEU 2 HD11 LEU 2 -11.472 5.526 4.886 22 HD12 LEU 2 HD12 LEU 2 -11.354 7.253 5.220 23 HD13 LEU 2 HD13 LEU 2 -12.801 6.613 4.426 24 HD21 LEU 2 HD21 LEU 2 -9.310 5.563 3.554 25 HD22 LEU 2 HD22 LEU 2 -9.089 6.785 2.277 26 HD23 LEU 2 HD23 LEU 2 -9.147 7.273 3.981 27 HA PRO 3 HA PRO 3 -13.226 2.379 4.975 28 HB2 PRO 3 HB2 PRO 3 -14.490 0.574 2.884 29 HB3 PRO 3 HB3 PRO 3 -15.109 0.980 4.519 30 HG2 PRO 3 HG2 PRO 3 -16.062 2.339 2.416 31 HG3 PRO 3 HG3 PRO 3 -15.548 3.251 3.875 32 HD2 PRO 3 HD2 PRO 3 -14.054 2.824 1.293 33 HD3 PRO 3 HD3 PRO 3 -14.226 4.316 2.258 34 HA PRO 4 HA PRO 4 -10.265 -0.490 5.900 35 HB2 PRO 4 HB2 PRO 4 -12.343 -2.574 6.613 36 HB3 PRO 4 HB3 PRO 4 -10.883 -2.083 7.534 37 HG2 PRO 4 HG2 PRO 4 -13.271 -1.048 8.218 38 HG3 PRO 4 HG3 PRO 4 -11.858 0.051 8.070 39 HD2 PRO 4 HD2 PRO 4 -14.063 -0.466 6.062 40 HD3 PRO 4 HD3 PRO 4 -13.355 1.087 6.596 41 H GLY 5 H GLY 5 -9.121 -2.494 5.684 42 HA2 GLY 5 HA2 GLY 5 -8.726 -4.544 4.358 43 HA3 GLY 5 HA3 GLY 5 -9.508 -3.735 2.990 44 H TRP 6 H TRP 6 -7.741 -1.351 4.475 45 HA TRP 6 HA TRP 6 -5.441 -1.712 2.634 46 HB2 TRP 6 HB2 TRP 6 -6.689 0.742 3.912 47 HB3 TRP 6 HB3 TRP 6 -5.084 0.718 3.150 48 HD1 TRP 6 HD1 TRP 6 -8.709 0.986 2.142 49 HE1 TRP 6 HE1 TRP 6 -8.763 1.286 -0.457 50 HE3 TRP 6 HE3 TRP 6 -3.833 0.009 1.090 51 HZ2 TRP 6 HZ2 TRP 6 -6.844 1.402 -2.549 52 HZ3 TRP 6 HZ3 TRP 6 -3.013 -0.006 -1.293 53 HH2 TRP 6 HH2 TRP 6 -4.561 0.624 -3.122 54 H GLU 7 H GLU 7 -3.409 -1.179 3.169 55 HA GLU 7 HA GLU 7 -2.582 -0.627 5.949 56 HB2 GLU 7 HB2 GLU 7 -1.768 -2.879 4.099 57 HB3 GLU 7 HB3 GLU 7 -0.620 -2.229 5.276 58 HG2 GLU 7 HG2 GLU 7 -2.351 -2.736 7.080 59 HG3 GLU 7 HG3 GLU 7 -3.278 -3.595 5.829 60 H LYS 8 H LYS 8 -0.275 0.277 5.873 61 HA LYS 8 HA LYS 8 0.625 1.069 3.182 62 HB2 LYS 8 HB2 LYS 8 1.229 3.334 3.920 63 HB3 LYS 8 HB3 LYS 8 -0.497 3.022 3.783 64 HG2 LYS 8 HG2 LYS 8 -0.616 2.746 6.268 65 HG3 LYS 8 HG3 LYS 8 1.097 3.217 6.362 66 HD2 LYS 8 HD2 LYS 8 -1.324 4.838 5.549 67 HD3 LYS 8 HD3 LYS 8 -0.197 5.162 6.859 68 HE2 LYS 8 HE2 LYS 8 1.560 5.766 5.238 69 HE3 LYS 8 HE3 LYS 8 0.492 5.336 3.891 70 HZ1 LYS 8 HZ1 LYS 8 -1.020 7.083 4.572 71 HZ2 LYS 8 HZ2 LYS 8 -0.036 7.512 5.822 72 HZ3 LYS 8 HZ3 LYS 8 0.472 7.709 4.270 73 H ARG 9 H ARG 9 2.736 1.604 2.917 74 HA ARG 9 HA ARG 9 4.687 0.238 4.736 75 HB2 ARG 9 HB2 ARG 9 4.326 -0.060 1.736 76 HB3 ARG 9 HB3 ARG 9 5.652 -0.761 2.657 77 HG2 ARG 9 HG2 ARG 9 2.713 -1.580 2.805 78 HG3 ARG 9 HG3 ARG 9 4.009 -2.411 1.958 79 HD2 ARG 9 HD2 ARG 9 3.968 -3.681 3.838 80 HD3 ARG 9 HD3 ARG 9 5.173 -2.496 4.333 81 HE ARG 9 HE ARG 9 3.300 -1.273 5.509 82 HH11 ARG 9 HH11 ARG 9 2.524 -4.700 4.793 83 HH12 ARG 9 HH12 ARG 9 1.184 -4.574 5.964 84 HH21 ARG 9 HH21 ARG 9 1.686 -1.433 6.947 85 HH22 ARG 9 HH22 ARG 9 0.797 -2.994 7.061 86 H MET 10 H MET 10 6.891 0.733 4.242 87 HA MET 10 HA MET 10 7.384 3.501 3.540 88 HB2 MET 10 HB2 MET 10 9.619 3.054 4.259 89 HB3 MET 10 HB3 MET 10 8.490 2.317 5.405 90 HG2 MET 10 HG2 MET 10 9.976 0.791 3.232 91 HG3 MET 10 HG3 MET 10 10.513 0.948 4.896 92 HE1 MET 10 HE1 MET 10 10.809 -1.691 4.908 93 HE2 MET 10 HE2 MET 10 9.492 -2.830 4.546 94 HE3 MET 10 HE3 MET 10 10.148 -1.794 3.259 95 H SER 11 H SER 11 8.658 4.285 1.885 96 HA SER 11 HA SER 11 9.622 2.482 -0.266 97 HB2 SER 11 HB2 SER 11 7.518 3.107 -1.155 98 HB3 SER 11 HB3 SER 11 7.663 4.770 -0.568 99 HG SER 11 HG SER 11 9.560 4.874 -1.965 100 HN CFD 12 HN CFD 12 11.288 3.280 1.576 101 HA CFD 12 HA CFD 12 13.202 4.905 0.247 102 H1G1 CFD 12 H1G CFD 12 13.036 7.082 -0.068 103 HD CFD 12 HD CFD 12 12.549 8.928 2.286 104 H ARG 13 H ARG 13 10.437 7.073 0.525 105 HA ARG 13 HA ARG 13 8.131 8.931 0.927 106 HB2 ARG 13 HB2 ARG 13 9.199 8.109 -1.529 107 HB3 ARG 13 HB3 ARG 13 7.965 6.908 -1.249 108 HG2 ARG 13 HG2 ARG 13 6.785 8.503 -2.430 109 HG3 ARG 13 HG3 ARG 13 6.380 8.974 -0.784 110 HD2 ARG 13 HD2 ARG 13 8.463 10.236 -2.620 111 HD3 ARG 13 HD3 ARG 13 6.907 10.927 -2.159 112 HE ARG 13 HE ARG 13 9.111 10.382 -0.181 113 HH11 ARG 13 HH11 ARG 13 6.782 12.741 -1.377 114 HH12 ARG 13 HH12 ARG 13 7.166 13.858 -0.094 115 HH21 ARG 13 HH21 ARG 13 9.527 11.726 1.335 116 HH22 ARG 13 HH22 ARG 13 8.750 13.305 1.446 117 H VAL 14 H VAL 14 6.032 7.550 0.532 118 HA VAL 14 HA VAL 14 6.021 5.017 2.030 119 HB VAL 14 HB VAL 14 5.770 6.875 3.689 120 HG11 VAL 14 HG11 VAL 14 4.575 8.530 2.270 121 HG12 VAL 14 HG12 VAL 14 3.131 7.498 2.299 122 HG13 VAL 14 HG13 VAL 14 3.751 8.219 3.800 123 HG21 VAL 14 HG21 VAL 14 3.287 5.149 3.374 124 HG22 VAL 14 HG22 VAL 14 4.798 4.719 4.212 125 HG23 VAL 14 HG23 VAL 14 3.793 6.020 4.842 126 H TYR 15 H TYR 15 4.146 3.734 1.483 127 HA TYR 15 HA TYR 15 2.252 4.876 -0.482 128 HB2 TYR 15 HB2 TYR 15 2.621 3.353 -2.171 129 HB3 TYR 15 HB3 TYR 15 4.233 3.866 -1.726 130 HD1 TYR 15 HD1 TYR 15 5.656 2.261 -0.235 131 HD2 TYR 15 HD2 TYR 15 1.975 1.086 -2.138 132 HE1 TYR 15 HE1 TYR 15 6.358 -0.121 -0.121 133 HE2 TYR 15 HE2 TYR 15 2.618 -1.301 -1.917 134 HH TYR 15 HH TYR 15 4.233 -2.769 -1.250 135 H TYR 16 H TYR 16 0.451 3.400 -0.986 136 HA TYR 16 HA TYR 16 -0.448 1.943 1.452 137 HB2 TYR 16 HB2 TYR 16 -1.888 3.311 -0.835 138 HB3 TYR 16 HB3 TYR 16 -2.683 2.148 0.203 139 HD1 TYR 16 HD1 TYR 16 -3.021 2.506 2.582 140 HD2 TYR 16 HD2 TYR 16 -1.366 5.562 0.028 141 HE1 TYR 16 HE1 TYR 16 -3.433 4.184 4.356 142 HE2 TYR 16 HE2 TYR 16 -1.812 7.270 1.791 143 HH TYR 16 HH TYR 16 -3.443 6.448 4.851 144 H PHE 17 H PHE 17 -0.876 -0.197 1.425 145 HA PHE 17 HA PHE 17 -0.991 -1.634 -1.171 146 HB2 PHE 17 HB2 PHE 17 0.851 -2.665 -0.613 147 HB3 PHE 17 HB3 PHE 17 0.828 -2.061 1.055 148 HD1 PHE 17 HD1 PHE 17 -0.260 -4.822 -1.216 149 HD2 PHE 17 HD2 PHE 17 -0.091 -3.389 2.840 150 HE1 PHE 17 HE1 PHE 17 -1.095 -7.014 -0.403 151 HE2 PHE 17 HE2 PHE 17 -1.034 -5.539 3.647 152 HZ PHE 17 HZ PHE 17 -1.488 -7.378 2.025 153 H ASN 18 H ASN 18 -2.461 -3.148 -1.396 154 HA ASN 18 HA ASN 18 -4.779 -2.820 0.437 155 HB2 ASN 18 HB2 ASN 18 -4.722 -2.243 -2.068 156 HB3 ASN 18 HB3 ASN 18 -4.804 -3.966 -2.359 157 HD21 ASN 18 HD21 ASN 18 -6.627 -1.416 -2.474 158 HD22 ASN 18 HD22 ASN 18 -8.195 -2.007 -2.006 159 H HIS 19 H HIS 19 -5.162 -4.354 1.905 160 HA HIS 19 HA HIS 19 -3.925 -6.986 1.733 161 HB2 HIS 19 HB2 HIS 19 -4.247 -5.483 3.785 162 HB3 HIS 19 HB3 HIS 19 -5.939 -5.978 3.779 163 HD1 HIS 19 HD1 HIS 19 -2.829 -6.786 5.431 164 HD2 HIS 19 HD2 HIS 19 -6.116 -8.958 3.873 165 HE1 HIS 19 HE1 HIS 19 -2.776 -9.101 6.543 166 HE2 HIS 19 HE2 HIS 19 -4.786 -10.419 5.587 167 H ILE 20 H ILE 20 -6.926 -5.675 0.612 168 HA ILE 20 HA ILE 20 -8.207 -8.364 0.475 169 HB ILE 20 HB ILE 20 -9.326 -5.609 -0.139 170 HG12 ILE 20 HG12 ILE 20 -8.798 -5.763 2.215 171 HG13 ILE 20 HG13 ILE 20 -10.537 -5.753 1.965 172 HG21 ILE 20 HG21 ILE 20 -10.563 -7.272 -1.381 173 HG22 ILE 20 HG22 ILE 20 -10.686 -8.328 0.037 174 HG23 ILE 20 HG23 ILE 20 -11.543 -6.772 -0.001 175 HD11 ILE 20 HD11 ILE 20 -10.607 -8.209 2.393 176 HD12 ILE 20 HD12 ILE 20 -8.845 -8.202 2.659 177 HD13 ILE 20 HD13 ILE 20 -9.914 -7.306 3.748 178 H THR 21 H THR 21 -7.253 -5.663 -1.717 179 HA THR 21 HA THR 21 -7.908 -7.408 -4.029 180 HB THR 21 HB THR 21 -7.838 -5.495 -5.404 181 HG1 THR 21 HG1 THR 21 -7.298 -3.561 -3.667 182 HG21 THR 21 HG21 THR 21 -9.096 -4.551 -2.788 183 HG22 THR 21 HG22 THR 21 -9.449 -3.967 -4.429 184 HG23 THR 21 HG23 THR 21 -9.867 -5.626 -3.973 185 H ASN 22 H ASN 22 -5.092 -6.773 -2.280 186 HA ASN 22 HA ASN 22 -2.938 -6.905 -2.566 187 HB2 ASN 22 HB2 ASN 22 -2.166 -8.775 -3.393 188 HB3 ASN 22 HB3 ASN 22 -3.830 -9.151 -3.810 189 HD21 ASN 22 HD21 ASN 22 -4.359 -7.879 -6.140 190 HD22 ASN 22 HD22 ASN 22 -3.149 -8.368 -7.352 191 H ALA 23 H ALA 23 -4.623 -4.909 -4.477 192 HA ALA 23 HA ALA 23 -2.609 -3.913 -6.244 193 HB1 ALA 23 HB1 ALA 23 -5.059 -3.477 -6.426 194 HB2 ALA 23 HB2 ALA 23 -4.967 -2.467 -4.963 195 HB3 ALA 23 HB3 ALA 23 -4.102 -1.986 -6.437 196 H SER 24 H SER 24 -1.805 -1.550 -6.021 197 HA SER 24 HA SER 24 -1.276 -0.599 -3.339 198 HB2 SER 24 HB2 SER 24 0.999 -1.678 -5.055 199 HB3 SER 24 HB3 SER 24 1.235 -0.575 -3.682 200 HG SER 24 HG SER 24 -0.398 -2.787 -3.240 201 H GLN 25 H GLN 25 -0.547 1.542 -3.278 202 HA GLN 25 HA GLN 25 -0.149 3.058 -5.761 203 HB2 GLN 25 HB2 GLN 25 -2.174 4.541 -5.173 204 HB3 GLN 25 HB3 GLN 25 -2.459 3.027 -6.024 205 HG2 GLN 25 HG2 GLN 25 -3.219 1.922 -4.028 206 HG3 GLN 25 HG3 GLN 25 -2.808 3.312 -3.014 207 HE21 GLN 25 HE21 GLN 25 -3.921 5.335 -3.509 208 HE22 GLN 25 HE22 GLN 25 -5.397 5.428 -4.459 209 H PHE 26 H PHE 26 0.536 5.207 -5.417 210 HA PHE 26 HA PHE 26 1.614 5.777 -2.720 211 HB2 PHE 26 HB2 PHE 26 1.946 7.062 -5.446 212 HB3 PHE 26 HB3 PHE 26 2.491 7.845 -3.970 213 HD1 PHE 26 HD1 PHE 26 4.335 6.990 -2.633 214 HD2 PHE 26 HD2 PHE 26 3.105 4.982 -6.246 215 HE1 PHE 26 HE1 PHE 26 6.445 5.682 -2.632 216 HE2 PHE 26 HE2 PHE 26 5.214 3.671 -6.230 217 HZ PHE 26 HZ PHE 26 6.885 4.020 -4.418 218 H GLU 27 H GLU 27 -0.933 7.019 -4.879 219 HA GLU 27 HA GLU 27 -1.763 9.070 -2.968 220 HB2 GLU 27 HB2 GLU 27 -3.324 9.714 -4.540 221 HB3 GLU 27 HB3 GLU 27 -1.988 9.152 -5.500 222 HG2 GLU 27 HG2 GLU 27 -3.712 8.208 -6.664 223 HG3 GLU 27 HG3 GLU 27 -3.269 6.862 -5.620 224 H ARG 28 H ARG 28 -4.244 8.878 -2.202 225 HA ARG 28 HA ARG 28 -4.073 6.453 -0.596 226 HB2 ARG 28 HB2 ARG 28 -5.289 7.462 1.065 227 HB3 ARG 28 HB3 ARG 28 -4.217 8.696 0.448 228 HG2 ARG 28 HG2 ARG 28 -7.226 8.487 -0.064 229 HG3 ARG 28 HG3 ARG 28 -6.419 9.533 1.080 230 HD2 ARG 28 HD2 ARG 28 -6.802 11.048 -0.572 231 HD3 ARG 28 HD3 ARG 28 -5.180 10.532 -1.007 232 HE ARG 28 HE ARG 28 -6.051 9.471 -2.964 233 HH11 ARG 28 HH11 ARG 28 -8.851 10.386 -1.035 234 HH12 ARG 28 HH12 ARG 28 -9.930 9.924 -2.333 235 HH21 ARG 28 HH21 ARG 28 -7.286 8.898 -4.358 236 HH22 ARG 28 HH22 ARG 28 -9.051 8.996 -4.261 237 HA PRO 29 HA PRO 29 -7.073 3.317 -1.438 238 HB2 PRO 29 HB2 PRO 29 -8.545 5.259 0.325 239 HB3 PRO 29 HB3 PRO 29 -8.648 3.467 0.290 240 HG2 PRO 29 HG2 PRO 29 -6.759 5.113 1.745 241 HG3 PRO 29 HG3 PRO 29 -6.670 3.335 1.583 242 HD2 PRO 29 HD2 PRO 29 -4.756 4.947 0.510 243 HD3 PRO 29 HD3 PRO 29 -5.294 3.436 -0.313 244 H SER 30 H SER 30 -6.932 4.221 -3.765 245 HA SER 30 HA SER 30 -9.642 5.011 -4.670 246 HB2 SER 30 HB2 SER 30 -7.104 4.238 -6.142 247 HB3 SER 30 HB3 SER 30 -8.682 4.373 -6.942 248 HG SER 30 HG SER 30 -7.040 6.405 -5.805 249 H GLY 31 H GLY 31 -7.672 2.143 -4.187 250 HA2 GLY 31 HA2 GLY 31 -9.884 0.240 -4.852 251 HA3 GLY 31 HA3 GLY 31 -8.214 -0.187 -4.467 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -7.032 4.566 -7.296 2 H2 LYS 1 H2 LYS 1 -5.781 4.140 -6.302 3 H3 LYS 1 H3 LYS 1 -6.216 5.743 -6.488 4 HA LYS 1 HA LYS 1 -6.921 4.420 -4.408 5 HB2 LYS 1 HB2 LYS 1 -9.028 5.724 -4.233 6 HB3 LYS 1 HB3 LYS 1 -7.623 6.665 -4.715 7 HG2 LYS 1 HG2 LYS 1 -8.482 6.319 -7.166 8 HG3 LYS 1 HG3 LYS 1 -9.995 5.830 -6.427 9 HD2 LYS 1 HD2 LYS 1 -10.456 7.966 -5.617 10 HD3 LYS 1 HD3 LYS 1 -8.760 8.441 -5.502 11 HE2 LYS 1 HE2 LYS 1 -10.173 7.998 -8.156 12 HE3 LYS 1 HE3 LYS 1 -10.076 9.572 -7.347 13 HZ1 LYS 1 HZ1 LYS 1 -8.235 9.222 -8.979 14 HZ2 LYS 1 HZ2 LYS 1 -7.646 9.436 -7.437 15 HZ3 LYS 1 HZ3 LYS 1 -7.640 7.996 -8.004 16 H LEU 2 H LEU 2 -8.219 2.777 -3.646 17 HA LEU 2 HA LEU 2 -10.021 1.361 -5.490 18 HB2 LEU 2 HB2 LEU 2 -7.364 0.368 -4.514 19 HB3 LEU 2 HB3 LEU 2 -8.676 -0.728 -4.223 20 HG LEU 2 HG LEU 2 -9.255 -0.165 -6.819 21 HD11 LEU 2 HD11 LEU 2 -6.208 -0.087 -6.734 22 HD12 LEU 2 HD12 LEU 2 -7.249 -0.062 -8.163 23 HD13 LEU 2 HD13 LEU 2 -7.230 1.321 -7.069 24 HD21 LEU 2 HD21 LEU 2 -7.232 -2.216 -5.847 25 HD22 LEU 2 HD22 LEU 2 -8.989 -2.410 -5.915 26 HD23 LEU 2 HD23 LEU 2 -8.068 -2.246 -7.415 27 HA PRO 3 HA PRO 3 -12.636 0.554 -2.047 28 HB2 PRO 3 HB2 PRO 3 -12.285 -2.424 -2.465 29 HB3 PRO 3 HB3 PRO 3 -13.805 -1.492 -2.280 30 HG2 PRO 3 HG2 PRO 3 -13.039 -2.261 -4.730 31 HG3 PRO 3 HG3 PRO 3 -13.604 -0.571 -4.479 32 HD2 PRO 3 HD2 PRO 3 -10.760 -1.610 -4.579 33 HD3 PRO 3 HD3 PRO 3 -11.477 -0.214 -5.442 34 HA PRO 4 HA PRO 4 -10.773 -0.303 1.839 35 HB2 PRO 4 HB2 PRO 4 -12.907 -2.333 2.506 36 HB3 PRO 4 HB3 PRO 4 -12.310 -0.957 3.490 37 HG2 PRO 4 HG2 PRO 4 -14.624 -0.707 2.141 38 HG3 PRO 4 HG3 PRO 4 -13.422 0.629 2.062 39 HD2 PRO 4 HD2 PRO 4 -13.885 -1.607 0.064 40 HD3 PRO 4 HD3 PRO 4 -13.746 0.153 -0.231 41 H GLY 5 H GLY 5 -10.161 -2.055 3.578 42 HA2 GLY 5 HA2 GLY 5 -9.200 -4.159 4.085 43 HA3 GLY 5 HA3 GLY 5 -9.110 -4.553 2.367 44 H TRP 6 H TRP 6 -7.868 -1.575 3.962 45 HA TRP 6 HA TRP 6 -5.452 -1.834 2.419 46 HB2 TRP 6 HB2 TRP 6 -6.472 0.304 4.285 47 HB3 TRP 6 HB3 TRP 6 -4.991 0.425 3.329 48 HD1 TRP 6 HD1 TRP 6 -8.796 0.306 2.795 49 HE1 TRP 6 HE1 TRP 6 -9.298 1.179 0.414 50 HE3 TRP 6 HE3 TRP 6 -4.040 0.730 1.049 51 HZ2 TRP 6 HZ2 TRP 6 -7.812 2.581 -1.608 52 HZ3 TRP 6 HZ3 TRP 6 -3.589 1.888 -1.127 53 HH2 TRP 6 HH2 TRP 6 -5.464 2.873 -2.417 54 H GLU 7 H GLU 7 -3.345 -1.324 3.118 55 HA GLU 7 HA GLU 7 -2.459 -1.660 5.885 56 HB2 GLU 7 HB2 GLU 7 -2.232 -3.626 3.726 57 HB3 GLU 7 HB3 GLU 7 -0.630 -3.050 4.168 58 HG2 GLU 7 HG2 GLU 7 -2.612 -3.987 6.283 59 HG3 GLU 7 HG3 GLU 7 -1.515 -5.085 5.438 60 H LYS 8 H LYS 8 -0.196 -0.855 6.096 61 HA LYS 8 HA LYS 8 0.237 1.431 4.163 62 HB2 LYS 8 HB2 LYS 8 0.964 1.654 7.071 63 HB3 LYS 8 HB3 LYS 8 0.608 2.922 5.884 64 HG2 LYS 8 HG2 LYS 8 -1.801 2.164 5.902 65 HG3 LYS 8 HG3 LYS 8 -1.386 1.014 7.190 66 HD2 LYS 8 HD2 LYS 8 -0.591 2.948 8.594 67 HD3 LYS 8 HD3 LYS 8 -1.201 4.039 7.335 68 HE2 LYS 8 HE2 LYS 8 -3.451 2.776 7.579 69 HE3 LYS 8 HE3 LYS 8 -2.757 2.049 9.039 70 HZ1 LYS 8 HZ1 LYS 8 -3.375 4.882 8.493 71 HZ2 LYS 8 HZ2 LYS 8 -3.952 3.959 9.711 72 HZ3 LYS 8 HZ3 LYS 8 -2.375 4.455 9.750 73 H ARG 9 H ARG 9 2.221 1.699 3.227 74 HA ARG 9 HA ARG 9 4.498 0.003 4.212 75 HB2 ARG 9 HB2 ARG 9 3.513 0.422 1.376 76 HB3 ARG 9 HB3 ARG 9 4.937 -0.511 1.820 77 HG2 ARG 9 HG2 ARG 9 2.059 -1.280 2.488 78 HG3 ARG 9 HG3 ARG 9 3.008 -1.873 1.137 79 HD2 ARG 9 HD2 ARG 9 3.161 -3.588 2.685 80 HD3 ARG 9 HD3 ARG 9 4.711 -2.755 2.834 81 HE ARG 9 HE ARG 9 3.562 -1.527 4.815 82 HH11 ARG 9 HH11 ARG 9 2.443 -4.860 4.144 83 HH12 ARG 9 HH12 ARG 9 1.597 -4.792 5.717 84 HH21 ARG 9 HH21 ARG 9 2.513 -1.731 6.601 85 HH22 ARG 9 HH22 ARG 9 1.649 -3.223 6.970 86 H MET 10 H MET 10 6.584 0.522 3.317 87 HA MET 10 HA MET 10 6.953 3.422 2.727 88 HB2 MET 10 HB2 MET 10 8.515 1.559 4.526 89 HB3 MET 10 HB3 MET 10 9.172 3.098 3.927 90 HG2 MET 10 HG2 MET 10 7.258 4.311 4.917 91 HG3 MET 10 HG3 MET 10 6.632 2.791 5.572 92 HE1 MET 10 HE1 MET 10 7.855 4.749 8.744 93 HE2 MET 10 HE2 MET 10 7.149 5.448 7.268 94 HE3 MET 10 HE3 MET 10 6.483 3.942 7.950 95 H SER 11 H SER 11 8.612 4.001 1.424 96 HA SER 11 HA SER 11 9.952 1.952 -0.272 97 HB2 SER 11 HB2 SER 11 8.059 2.664 -1.571 98 HB3 SER 11 HB3 SER 11 8.337 4.366 -1.160 99 HG SER 11 HG SER 11 10.434 4.067 -2.170 100 HN CFD 12 HN CFD 12 11.132 3.005 1.925 101 HA CFD 12 HA CFD 12 13.426 4.375 0.867 102 H1G1 CFD 12 H1G CFD 12 13.256 6.489 0.235 103 HD CFD 12 HD CFD 12 12.545 8.587 2.307 104 H ARG 13 H ARG 13 10.568 6.619 0.604 105 HA ARG 13 HA ARG 13 8.339 8.613 0.476 106 HB2 ARG 13 HB2 ARG 13 9.215 6.510 -1.515 107 HB3 ARG 13 HB3 ARG 13 7.500 6.893 -1.365 108 HG2 ARG 13 HG2 ARG 13 8.126 8.309 -3.066 109 HG3 ARG 13 HG3 ARG 13 8.159 9.367 -1.660 110 HD2 ARG 13 HD2 ARG 13 10.720 8.882 -1.588 111 HD3 ARG 13 HD3 ARG 13 10.499 8.111 -3.145 112 HE ARG 13 HE ARG 13 10.143 10.182 -4.142 113 HH11 ARG 13 HH11 ARG 13 10.351 10.745 -0.607 114 HH12 ARG 13 HH12 ARG 13 10.416 12.462 -0.847 115 HH21 ARG 13 HH21 ARG 13 10.241 12.398 -4.287 116 HH22 ARG 13 HH22 ARG 13 10.363 13.364 -2.848 117 H VAL 14 H VAL 14 6.214 7.731 0.665 118 HA VAL 14 HA VAL 14 5.931 5.199 2.171 119 HB VAL 14 HB VAL 14 5.983 7.081 3.782 120 HG11 VAL 14 HG11 VAL 14 5.001 8.878 2.384 121 HG12 VAL 14 HG12 VAL 14 3.426 8.057 2.440 122 HG13 VAL 14 HG13 VAL 14 4.157 8.689 3.926 123 HG21 VAL 14 HG21 VAL 14 4.722 5.071 4.341 124 HG22 VAL 14 HG22 VAL 14 3.943 6.509 5.005 125 HG23 VAL 14 HG23 VAL 14 3.263 5.732 3.564 126 H TYR 15 H TYR 15 3.980 4.083 1.716 127 HA TYR 15 HA TYR 15 2.065 5.267 -0.160 128 HB2 TYR 15 HB2 TYR 15 2.370 3.727 -1.914 129 HB3 TYR 15 HB3 TYR 15 3.940 4.399 -1.559 130 HD1 TYR 15 HD1 TYR 15 5.735 3.019 -0.599 131 HD2 TYR 15 HD2 TYR 15 1.871 1.355 -1.534 132 HE1 TYR 15 HE1 TYR 15 6.720 0.732 -0.587 133 HE2 TYR 15 HE2 TYR 15 2.853 -0.942 -1.477 134 HH TYR 15 HH TYR 15 6.318 -1.503 -0.861 135 H TYR 16 H TYR 16 0.301 3.568 -0.708 136 HA TYR 16 HA TYR 16 -0.274 1.957 1.758 137 HB2 TYR 16 HB2 TYR 16 -1.998 3.939 0.273 138 HB3 TYR 16 HB3 TYR 16 -2.705 2.556 1.073 139 HD1 TYR 16 HD1 TYR 16 -0.061 5.087 2.074 140 HD2 TYR 16 HD2 TYR 16 -3.709 3.011 3.076 141 HE1 TYR 16 HE1 TYR 16 -0.127 6.248 4.263 142 HE2 TYR 16 HE2 TYR 16 -3.846 4.294 5.200 143 HH TYR 16 HH TYR 16 -2.923 5.953 6.528 144 H PHE 17 H PHE 17 -1.271 -0.028 1.456 145 HA PHE 17 HA PHE 17 -1.746 -0.900 -1.352 146 HB2 PHE 17 HB2 PHE 17 0.243 -1.896 -1.252 147 HB3 PHE 17 HB3 PHE 17 0.374 -1.729 0.495 148 HD1 PHE 17 HD1 PHE 17 -0.618 -3.408 1.987 149 HD2 PHE 17 HD2 PHE 17 -0.381 -4.025 -2.265 150 HE1 PHE 17 HE1 PHE 17 -0.939 -5.842 2.341 151 HE2 PHE 17 HE2 PHE 17 -0.654 -6.468 -1.919 152 HZ PHE 17 HZ PHE 17 -0.942 -7.385 0.364 153 H ASN 18 H ASN 18 -3.090 -2.646 -1.575 154 HA ASN 18 HA ASN 18 -5.063 -2.833 0.668 155 HB2 ASN 18 HB2 ASN 18 -5.761 -2.025 -1.582 156 HB3 ASN 18 HB3 ASN 18 -5.448 -3.636 -2.213 157 HD21 ASN 18 HD21 ASN 18 -8.082 -1.864 -1.443 158 HD22 ASN 18 HD22 ASN 18 -9.009 -3.067 -0.609 159 H HIS 19 H HIS 19 -5.027 -4.575 1.993 160 HA HIS 19 HA HIS 19 -3.320 -6.849 1.283 161 HB2 HIS 19 HB2 HIS 19 -3.506 -7.563 3.515 162 HB3 HIS 19 HB3 HIS 19 -3.251 -5.830 3.541 163 HD1 HIS 19 HD1 HIS 19 -4.989 -4.494 5.091 164 HD2 HIS 19 HD2 HIS 19 -6.156 -8.404 3.937 165 HE1 HIS 19 HE1 HIS 19 -7.051 -5.070 6.470 166 HE2 HIS 19 HE2 HIS 19 -7.802 -7.433 5.735 167 H ILE 20 H ILE 20 -6.437 -6.144 0.442 168 HA ILE 20 HA ILE 20 -7.076 -9.037 0.054 169 HB ILE 20 HB ILE 20 -9.020 -6.704 -0.108 170 HG12 ILE 20 HG12 ILE 20 -8.454 -8.512 2.277 171 HG13 ILE 20 HG13 ILE 20 -8.156 -6.773 2.170 172 HG21 ILE 20 HG21 ILE 20 -9.468 -9.712 0.174 173 HG22 ILE 20 HG22 ILE 20 -10.718 -8.468 -0.047 174 HG23 ILE 20 HG23 ILE 20 -9.589 -8.810 -1.350 175 HD11 ILE 20 HD11 ILE 20 -10.621 -6.397 1.881 176 HD12 ILE 20 HD12 ILE 20 -10.871 -8.127 2.230 177 HD13 ILE 20 HD13 ILE 20 -10.143 -7.074 3.452 178 H THR 21 H THR 21 -7.532 -5.851 -1.602 179 HA THR 21 HA THR 21 -7.686 -7.217 -4.191 180 HB THR 21 HB THR 21 -8.262 -5.149 -5.180 181 HG1 THR 21 HG1 THR 21 -8.100 -3.644 -2.880 182 HG21 THR 21 HG21 THR 21 -10.057 -6.200 -3.825 183 HG22 THR 21 HG22 THR 21 -9.599 -5.189 -2.439 184 HG23 THR 21 HG23 THR 21 -10.213 -4.438 -3.928 185 H ASN 22 H ASN 22 -5.060 -6.218 -2.401 186 HA ASN 22 HA ASN 22 -2.900 -6.066 -2.734 187 HB2 ASN 22 HB2 ASN 22 -3.766 -8.053 -4.804 188 HB3 ASN 22 HB3 ASN 22 -2.060 -7.646 -4.612 189 HD21 ASN 22 HD21 ASN 22 -4.920 -8.963 -2.727 190 HD22 ASN 22 HD22 ASN 22 -3.830 -9.726 -1.580 191 H ALA 23 H ALA 23 -4.576 -4.164 -4.756 192 HA ALA 23 HA ALA 23 -2.405 -3.187 -6.363 193 HB1 ALA 23 HB1 ALA 23 -4.758 -2.825 -6.917 194 HB2 ALA 23 HB2 ALA 23 -4.975 -1.861 -5.438 195 HB3 ALA 23 HB3 ALA 23 -3.911 -1.273 -6.739 196 H SER 24 H SER 24 -0.542 -2.599 -5.392 197 HA SER 24 HA SER 24 -0.368 -0.858 -3.054 198 HB2 SER 24 HB2 SER 24 2.063 -0.894 -3.636 199 HB3 SER 24 HB3 SER 24 1.393 -2.540 -3.544 200 HG SER 24 HG SER 24 1.429 -1.075 -5.963 201 H GLN 25 H GLN 25 -0.389 1.382 -3.093 202 HA GLN 25 HA GLN 25 0.230 2.872 -5.557 203 HB2 GLN 25 HB2 GLN 25 -2.083 3.747 -5.739 204 HB3 GLN 25 HB3 GLN 25 -2.008 2.005 -5.976 205 HG2 GLN 25 HG2 GLN 25 -2.609 1.874 -3.392 206 HG3 GLN 25 HG3 GLN 25 -3.107 3.541 -3.616 207 HE21 GLN 25 HE21 GLN 25 -3.899 0.155 -4.156 208 HE22 GLN 25 HE22 GLN 25 -5.432 0.505 -4.959 209 H PHE 26 H PHE 26 0.013 5.219 -5.311 210 HA PHE 26 HA PHE 26 0.664 6.125 -2.584 211 HB2 PHE 26 HB2 PHE 26 0.706 7.491 -5.288 212 HB3 PHE 26 HB3 PHE 26 1.104 8.294 -3.774 213 HD1 PHE 26 HD1 PHE 26 3.001 7.398 -2.319 214 HD2 PHE 26 HD2 PHE 26 2.399 6.145 -6.403 215 HE1 PHE 26 HE1 PHE 26 5.322 6.558 -2.403 216 HE2 PHE 26 HE2 PHE 26 4.731 5.298 -6.480 217 HZ PHE 26 HZ PHE 26 6.199 5.502 -4.484 218 H GLU 27 H GLU 27 -2.215 6.160 -4.628 219 HA GLU 27 HA GLU 27 -3.473 8.309 -3.090 220 HB2 GLU 27 HB2 GLU 27 -4.685 6.229 -4.919 221 HB3 GLU 27 HB3 GLU 27 -5.551 7.526 -4.057 222 HG2 GLU 27 HG2 GLU 27 -4.041 9.181 -5.280 223 HG3 GLU 27 HG3 GLU 27 -3.530 7.827 -6.306 224 H ARG 28 H ARG 28 -4.031 8.087 -1.106 225 HA ARG 28 HA ARG 28 -4.530 5.435 0.072 226 HB2 ARG 28 HB2 ARG 28 -3.694 6.532 2.157 227 HB3 ARG 28 HB3 ARG 28 -2.544 6.403 0.820 228 HG2 ARG 28 HG2 ARG 28 -2.261 8.606 0.573 229 HG3 ARG 28 HG3 ARG 28 -3.953 9.007 0.859 230 HD2 ARG 28 HD2 ARG 28 -2.094 8.151 3.104 231 HD3 ARG 28 HD3 ARG 28 -2.275 9.842 2.588 232 HE ARG 28 HE ARG 28 -4.863 9.114 2.906 233 HH11 ARG 28 HH11 ARG 28 -2.264 8.493 5.268 234 HH12 ARG 28 HH12 ARG 28 -3.476 8.528 6.544 235 HH21 ARG 28 HH21 ARG 28 -6.116 8.931 4.650 236 HH22 ARG 28 HH22 ARG 28 -5.379 8.854 6.267 237 HA PRO 29 HA PRO 29 -8.662 6.588 1.301 238 HB2 PRO 29 HB2 PRO 29 -9.169 4.747 3.243 239 HB3 PRO 29 HB3 PRO 29 -8.842 4.255 1.556 240 HG2 PRO 29 HG2 PRO 29 -6.803 4.484 3.820 241 HG3 PRO 29 HG3 PRO 29 -7.195 3.025 2.861 242 HD2 PRO 29 HD2 PRO 29 -5.166 4.607 2.104 243 HD3 PRO 29 HD3 PRO 29 -6.302 3.993 0.859 244 H SER 30 H SER 30 -9.887 6.754 3.684 245 HA SER 30 HA SER 30 -8.637 8.886 5.191 246 HB2 SER 30 HB2 SER 30 -10.741 8.949 6.358 247 HB3 SER 30 HB3 SER 30 -11.063 8.735 4.621 248 HG SER 30 HG SER 30 -10.935 6.705 6.584 249 H GLY 31 H GLY 31 -6.773 7.058 5.481 250 HA2 GLY 31 HA2 GLY 31 -6.889 6.394 8.380 251 HA3 GLY 31 HA3 GLY 31 -6.451 5.102 7.253 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -6.849 4.040 -6.980 2 H2 LYS 1 H2 LYS 1 -7.378 5.552 -6.691 3 H3 LYS 1 H3 LYS 1 -8.269 4.535 -7.670 4 HA LYS 1 HA LYS 1 -7.677 3.954 -4.860 5 HB2 LYS 1 HB2 LYS 1 -10.226 5.201 -5.979 6 HB3 LYS 1 HB3 LYS 1 -10.086 4.477 -4.372 7 HG2 LYS 1 HG2 LYS 1 -8.133 6.059 -3.931 8 HG3 LYS 1 HG3 LYS 1 -8.602 6.877 -5.438 9 HD2 LYS 1 HD2 LYS 1 -10.815 7.403 -4.505 10 HD3 LYS 1 HD3 LYS 1 -10.426 6.495 -3.038 11 HE2 LYS 1 HE2 LYS 1 -10.131 8.811 -2.523 12 HE3 LYS 1 HE3 LYS 1 -8.535 8.065 -2.572 13 HZ1 LYS 1 HZ1 LYS 1 -9.729 9.639 -4.794 14 HZ2 LYS 1 HZ2 LYS 1 -8.580 10.193 -3.752 15 HZ3 LYS 1 HZ3 LYS 1 -8.218 9.000 -4.806 16 H LEU 2 H LEU 2 -9.251 2.359 -3.992 17 HA LEU 2 HA LEU 2 -10.320 0.328 -5.810 18 HB2 LEU 2 HB2 LEU 2 -8.177 -0.224 -3.694 19 HB3 LEU 2 HB3 LEU 2 -9.043 -1.459 -4.564 20 HG LEU 2 HG LEU 2 -7.167 0.531 -5.901 21 HD11 LEU 2 HD11 LEU 2 -5.961 -0.944 -4.364 22 HD12 LEU 2 HD12 LEU 2 -6.728 -2.373 -5.107 23 HD13 LEU 2 HD13 LEU 2 -5.616 -1.348 -6.050 24 HD21 LEU 2 HD21 LEU 2 -7.286 -1.051 -7.803 25 HD22 LEU 2 HD22 LEU 2 -8.479 -2.034 -6.925 26 HD23 LEU 2 HD23 LEU 2 -8.881 -0.383 -7.448 27 HA PRO 3 HA PRO 3 -13.170 -0.063 -2.322 28 HB2 PRO 3 HB2 PRO 3 -12.404 -2.974 -2.027 29 HB3 PRO 3 HB3 PRO 3 -14.040 -2.238 -2.044 30 HG2 PRO 3 HG2 PRO 3 -13.107 -3.451 -4.266 31 HG3 PRO 3 HG3 PRO 3 -13.913 -1.852 -4.416 32 HD2 PRO 3 HD2 PRO 3 -10.948 -2.464 -4.306 33 HD3 PRO 3 HD3 PRO 3 -11.826 -1.411 -5.461 34 HA PRO 4 HA PRO 4 -10.837 0.333 1.452 35 HB2 PRO 4 HB2 PRO 4 -13.082 -1.055 2.911 36 HB3 PRO 4 HB3 PRO 4 -12.267 0.495 3.298 37 HG2 PRO 4 HG2 PRO 4 -14.681 0.536 2.104 38 HG3 PRO 4 HG3 PRO 4 -13.379 1.608 1.482 39 HD2 PRO 4 HD2 PRO 4 -14.227 -1.111 0.417 40 HD3 PRO 4 HD3 PRO 4 -13.990 0.429 -0.467 41 H GLY 5 H GLY 5 -10.217 -0.892 3.622 42 HA2 GLY 5 HA2 GLY 5 -9.300 -2.782 4.672 43 HA3 GLY 5 HA3 GLY 5 -9.699 -3.777 3.268 44 H TRP 6 H TRP 6 -7.483 -1.160 4.338 45 HA TRP 6 HA TRP 6 -5.363 -2.158 2.487 46 HB2 TRP 6 HB2 TRP 6 -6.179 0.661 3.190 47 HB3 TRP 6 HB3 TRP 6 -4.676 0.267 2.372 48 HD1 TRP 6 HD1 TRP 6 -8.415 -0.375 1.673 49 HE1 TRP 6 HE1 TRP 6 -8.927 0.196 -0.743 50 HE3 TRP 6 HE3 TRP 6 -3.717 0.866 0.192 51 HZ2 TRP 6 HZ2 TRP 6 -7.562 1.805 -2.787 52 HZ3 TRP 6 HZ3 TRP 6 -3.331 1.922 -2.035 53 HH2 TRP 6 HH2 TRP 6 -5.261 2.421 -3.513 54 H GLU 7 H GLU 7 -3.179 -1.498 3.080 55 HA GLU 7 HA GLU 7 -2.678 -0.635 5.842 56 HB2 GLU 7 HB2 GLU 7 -2.367 -3.326 4.843 57 HB3 GLU 7 HB3 GLU 7 -0.755 -2.678 5.105 58 HG2 GLU 7 HG2 GLU 7 -2.958 -2.622 7.217 59 HG3 GLU 7 HG3 GLU 7 -1.736 -3.888 7.082 60 H LYS 8 H LYS 8 -0.418 0.058 6.126 61 HA LYS 8 HA LYS 8 0.537 1.430 3.667 62 HB2 LYS 8 HB2 LYS 8 1.873 2.865 5.189 63 HB3 LYS 8 HB3 LYS 8 0.136 2.961 5.320 64 HG2 LYS 8 HG2 LYS 8 0.999 3.175 7.462 65 HG3 LYS 8 HG3 LYS 8 0.164 1.646 7.410 66 HD2 LYS 8 HD2 LYS 8 3.166 1.713 6.958 67 HD3 LYS 8 HD3 LYS 8 2.568 2.029 8.577 68 HE2 LYS 8 HE2 LYS 8 1.998 -0.504 7.002 69 HE3 LYS 8 HE3 LYS 8 3.231 -0.335 8.251 70 HZ1 LYS 8 HZ1 LYS 8 1.080 -1.334 8.976 71 HZ2 LYS 8 HZ2 LYS 8 1.400 0.077 9.846 72 HZ3 LYS 8 HZ3 LYS 8 0.301 -0.070 8.577 73 H ARG 9 H ARG 9 2.650 1.720 3.060 74 HA ARG 9 HA ARG 9 4.733 -0.195 3.979 75 HB2 ARG 9 HB2 ARG 9 3.851 0.227 1.093 76 HB3 ARG 9 HB3 ARG 9 5.305 -0.643 1.587 77 HG2 ARG 9 HG2 ARG 9 3.867 -2.387 2.692 78 HG3 ARG 9 HG3 ARG 9 2.428 -1.531 2.062 79 HD2 ARG 9 HD2 ARG 9 3.475 -1.603 -0.200 80 HD3 ARG 9 HD3 ARG 9 4.750 -2.664 0.427 81 HE ARG 9 HE ARG 9 2.443 -4.038 1.005 82 HH11 ARG 9 HH11 ARG 9 3.724 -2.614 -1.968 83 HH12 ARG 9 HH12 ARG 9 2.347 -3.206 -2.885 84 HH21 ARG 9 HH21 ARG 9 1.070 -5.198 -0.422 85 HH22 ARG 9 HH22 ARG 9 1.205 -4.954 -2.140 86 H MET 10 H MET 10 6.916 0.496 2.997 87 HA MET 10 HA MET 10 6.989 3.362 2.178 88 HB2 MET 10 HB2 MET 10 8.718 1.849 4.137 89 HB3 MET 10 HB3 MET 10 9.322 3.287 3.287 90 HG2 MET 10 HG2 MET 10 7.409 4.606 4.117 91 HG3 MET 10 HG3 MET 10 6.824 3.202 5.019 92 HE1 MET 10 HE1 MET 10 8.075 5.753 7.750 93 HE2 MET 10 HE2 MET 10 7.374 6.169 6.170 94 HE3 MET 10 HE3 MET 10 6.686 4.832 7.127 95 H SER 11 H SER 11 8.562 3.953 0.713 96 HA SER 11 HA SER 11 9.848 1.747 -0.841 97 HB2 SER 11 HB2 SER 11 7.549 2.469 -1.735 98 HB3 SER 11 HB3 SER 11 8.331 3.980 -2.215 99 HG SER 11 HG SER 11 8.373 2.338 -3.859 100 HN CFD 12 HN CFD 12 11.175 3.309 0.961 101 HA CFD 12 HA CFD 12 12.833 5.146 -0.697 102 H1G1 CFD 12 H1G CFD 12 12.863 7.302 -0.178 103 HD CFD 12 HD CFD 12 12.642 8.305 2.608 104 H ARG 13 H ARG 13 10.195 7.244 0.445 105 HA ARG 13 HA ARG 13 8.065 8.778 1.769 106 HB2 ARG 13 HB2 ARG 13 7.004 8.932 -0.300 107 HB3 ARG 13 HB3 ARG 13 8.730 9.217 -0.587 108 HG2 ARG 13 HG2 ARG 13 7.301 6.591 -1.169 109 HG3 ARG 13 HG3 ARG 13 7.512 7.881 -2.342 110 HD2 ARG 13 HD2 ARG 13 9.762 6.320 -1.026 111 HD3 ARG 13 HD3 ARG 13 9.162 6.124 -2.674 112 HE ARG 13 HE ARG 13 9.911 8.846 -2.260 113 HH11 ARG 13 HH11 ARG 13 11.467 5.709 -2.774 114 HH12 ARG 13 HH12 ARG 13 12.817 6.432 -3.616 115 HH21 ARG 13 HH21 ARG 13 11.710 9.695 -3.277 116 HH22 ARG 13 HH22 ARG 13 12.969 8.637 -3.833 117 H VAL 14 H VAL 14 6.043 7.996 1.994 118 HA VAL 14 HA VAL 14 5.748 5.105 2.562 119 HB VAL 14 HB VAL 14 5.340 6.762 4.378 120 HG11 VAL 14 HG11 VAL 14 3.307 8.096 4.427 121 HG12 VAL 14 HG12 VAL 14 4.290 8.583 3.043 122 HG13 VAL 14 HG13 VAL 14 2.859 7.561 2.798 123 HG21 VAL 14 HG21 VAL 14 2.907 5.107 3.613 124 HG22 VAL 14 HG22 VAL 14 4.330 4.559 4.532 125 HG23 VAL 14 HG23 VAL 14 3.259 5.786 5.211 126 H TYR 15 H TYR 15 3.995 3.933 1.699 127 HA TYR 15 HA TYR 15 2.124 5.266 -0.100 128 HB2 TYR 15 HB2 TYR 15 2.505 4.047 -2.019 129 HB3 TYR 15 HB3 TYR 15 4.089 4.571 -1.512 130 HD1 TYR 15 HD1 TYR 15 5.603 2.842 -0.257 131 HD2 TYR 15 HD2 TYR 15 2.091 1.799 -2.531 132 HE1 TYR 15 HE1 TYR 15 6.526 0.560 -0.630 133 HE2 TYR 15 HE2 TYR 15 3.045 -0.474 -2.927 134 HH TYR 15 HH TYR 15 6.221 -1.456 -1.708 135 H TYR 16 H TYR 16 0.443 3.501 -0.908 136 HA TYR 16 HA TYR 16 -0.307 1.981 1.542 137 HB2 TYR 16 HB2 TYR 16 -1.345 4.354 0.851 138 HB3 TYR 16 HB3 TYR 16 -2.301 3.353 -0.224 139 HD1 TYR 16 HD1 TYR 16 -1.158 2.845 3.356 140 HD2 TYR 16 HD2 TYR 16 -4.455 3.434 0.661 141 HE1 TYR 16 HE1 TYR 16 -2.743 2.496 5.240 142 HE2 TYR 16 HE2 TYR 16 -6.049 3.110 2.548 143 HH TYR 16 HH TYR 16 -6.327 2.840 4.829 144 H PHE 17 H PHE 17 -1.298 0.059 1.351 145 HA PHE 17 HA PHE 17 -1.610 -1.095 -1.376 146 HB2 PHE 17 HB2 PHE 17 0.020 -2.456 -0.981 147 HB3 PHE 17 HB3 PHE 17 0.410 -1.608 0.508 148 HD1 PHE 17 HD1 PHE 17 -1.413 -4.487 -0.971 149 HD2 PHE 17 HD2 PHE 17 0.025 -2.679 2.666 150 HE1 PHE 17 HE1 PHE 17 -1.822 -6.611 0.249 151 HE2 PHE 17 HE2 PHE 17 -0.410 -4.806 3.884 152 HZ PHE 17 HZ PHE 17 -1.369 -6.766 2.660 153 H ASN 18 H ASN 18 -3.197 -2.568 -1.717 154 HA ASN 18 HA ASN 18 -5.418 -2.478 0.234 155 HB2 ASN 18 HB2 ASN 18 -5.682 -2.241 -2.286 156 HB3 ASN 18 HB3 ASN 18 -5.285 -3.939 -2.436 157 HD21 ASN 18 HD21 ASN 18 -7.760 -1.663 -1.295 158 HD22 ASN 18 HD22 ASN 18 -8.943 -2.889 -0.915 159 H HIS 19 H HIS 19 -5.706 -4.088 1.820 160 HA HIS 19 HA HIS 19 -3.918 -6.441 1.603 161 HB2 HIS 19 HB2 HIS 19 -4.129 -6.787 3.884 162 HB3 HIS 19 HB3 HIS 19 -3.858 -5.072 3.636 163 HD1 HIS 19 HD1 HIS 19 -7.072 -7.195 3.861 164 HD2 HIS 19 HD2 HIS 19 -5.139 -3.879 5.584 165 HE1 HIS 19 HE1 HIS 19 -8.698 -6.259 5.681 166 HE2 HIS 19 HE2 HIS 19 -7.467 -4.229 6.721 167 H ILE 20 H ILE 20 -6.511 -6.086 -0.004 168 HA ILE 20 HA ILE 20 -7.404 -8.907 0.398 169 HB ILE 20 HB ILE 20 -9.046 -6.688 -0.869 170 HG12 ILE 20 HG12 ILE 20 -9.119 -7.528 2.053 171 HG13 ILE 20 HG13 ILE 20 -8.626 -5.953 1.407 172 HG21 ILE 20 HG21 ILE 20 -9.853 -9.376 0.318 173 HG22 ILE 20 HG22 ILE 20 -10.900 -8.249 -0.572 174 HG23 ILE 20 HG23 ILE 20 -9.590 -9.070 -1.411 175 HD11 ILE 20 HD11 ILE 20 -10.838 -5.725 2.281 176 HD12 ILE 20 HD12 ILE 20 -10.930 -5.610 0.513 177 HD13 ILE 20 HD13 ILE 20 -11.435 -7.103 1.348 178 H THR 21 H THR 21 -7.088 -6.280 -2.019 179 HA THR 21 HA THR 21 -6.777 -8.149 -4.256 180 HB THR 21 HB THR 21 -6.557 -5.118 -4.324 181 HG1 THR 21 HG1 THR 21 -8.924 -6.658 -4.338 182 HG21 THR 21 HG21 THR 21 -7.612 -7.163 -6.331 183 HG22 THR 21 HG22 THR 21 -7.772 -5.399 -6.502 184 HG23 THR 21 HG23 THR 21 -6.171 -6.138 -6.506 185 H ASN 22 H ASN 22 -4.600 -6.797 -2.065 186 HA ASN 22 HA ASN 22 -2.515 -6.318 -1.870 187 HB2 ASN 22 HB2 ASN 22 -2.260 -8.566 -3.858 188 HB3 ASN 22 HB3 ASN 22 -0.939 -7.988 -2.821 189 HD21 ASN 22 HD21 ASN 22 -1.919 -10.691 -2.800 190 HD22 ASN 22 HD22 ASN 22 -2.632 -10.918 -1.204 191 H ALA 23 H ALA 23 -3.632 -5.531 -4.925 192 HA ALA 23 HA ALA 23 -1.501 -4.142 -6.073 193 HB1 ALA 23 HB1 ALA 23 -3.306 -2.713 -7.048 194 HB2 ALA 23 HB2 ALA 23 -3.686 -4.444 -7.127 195 HB3 ALA 23 HB3 ALA 23 -4.457 -3.427 -5.892 196 H SER 24 H SER 24 -1.119 -1.707 -6.104 197 HA SER 24 HA SER 24 -1.437 -0.426 -3.456 198 HB2 SER 24 HB2 SER 24 1.358 -0.861 -4.511 199 HB3 SER 24 HB3 SER 24 0.819 -0.453 -2.869 200 HG SER 24 HG SER 24 -0.258 -2.723 -3.254 201 H GLN 25 H GLN 25 -0.819 1.742 -3.338 202 HA GLN 25 HA GLN 25 0.383 3.197 -5.495 203 HB2 GLN 25 HB2 GLN 25 -1.551 4.553 -6.170 204 HB3 GLN 25 HB3 GLN 25 -1.749 2.878 -6.641 205 HG2 GLN 25 HG2 GLN 25 -3.296 2.448 -4.811 206 HG3 GLN 25 HG3 GLN 25 -3.040 4.066 -4.150 207 HE21 GLN 25 HE21 GLN 25 -3.160 5.544 -6.691 208 HE22 GLN 25 HE22 GLN 25 -4.902 5.678 -6.852 209 H PHE 26 H PHE 26 -0.264 5.772 -5.002 210 HA PHE 26 HA PHE 26 0.395 6.160 -2.152 211 HB2 PHE 26 HB2 PHE 26 0.238 8.030 -4.526 212 HB3 PHE 26 HB3 PHE 26 0.666 8.540 -2.897 213 HD1 PHE 26 HD1 PHE 26 2.765 7.737 -1.780 214 HD2 PHE 26 HD2 PHE 26 1.886 6.830 -5.912 215 HE1 PHE 26 HE1 PHE 26 5.103 7.060 -2.132 216 HE2 PHE 26 HE2 PHE 26 4.248 6.154 -6.256 217 HZ PHE 26 HZ PHE 26 5.864 6.265 -4.370 218 H GLU 27 H GLU 27 -2.525 6.260 -4.020 219 HA GLU 27 HA GLU 27 -3.932 8.185 -2.366 220 HB2 GLU 27 HB2 GLU 27 -4.987 5.984 -4.167 221 HB3 GLU 27 HB3 GLU 27 -5.972 7.219 -3.395 222 HG2 GLU 27 HG2 GLU 27 -4.710 8.979 -4.657 223 HG3 GLU 27 HG3 GLU 27 -3.905 7.688 -5.571 224 H ARG 28 H ARG 28 -5.585 7.819 -0.893 225 HA ARG 28 HA ARG 28 -5.859 5.107 0.300 226 HB2 ARG 28 HB2 ARG 28 -4.599 6.409 1.795 227 HB3 ARG 28 HB3 ARG 28 -5.684 7.799 1.670 228 HG2 ARG 28 HG2 ARG 28 -7.351 6.796 2.988 229 HG3 ARG 28 HG3 ARG 28 -6.749 5.162 2.699 230 HD2 ARG 28 HD2 ARG 28 -4.646 5.814 3.981 231 HD3 ARG 28 HD3 ARG 28 -5.468 7.333 4.401 232 HE ARG 28 HE ARG 28 -6.964 4.869 5.043 233 HH11 ARG 28 HH11 ARG 28 -4.400 6.917 6.275 234 HH12 ARG 28 HH12 ARG 28 -4.661 6.418 7.929 235 HH21 ARG 28 HH21 ARG 28 -7.359 4.371 7.147 236 HH22 ARG 28 HH22 ARG 28 -6.292 4.954 8.419 237 HA PRO 29 HA PRO 29 -10.193 5.920 -0.753 238 HB2 PRO 29 HB2 PRO 29 -10.430 3.167 0.411 239 HB3 PRO 29 HB3 PRO 29 -11.214 3.874 -1.044 240 HG2 PRO 29 HG2 PRO 29 -9.137 2.302 -1.345 241 HG3 PRO 29 HG3 PRO 29 -9.123 3.854 -2.237 242 HD2 PRO 29 HD2 PRO 29 -7.779 3.257 0.441 243 HD3 PRO 29 HD3 PRO 29 -7.052 3.957 -1.045 244 H SER 30 H SER 30 -12.281 4.996 0.800 245 HA SER 30 HA SER 30 -12.083 6.216 3.428 246 HB2 SER 30 HB2 SER 30 -14.413 5.574 3.608 247 HB3 SER 30 HB3 SER 30 -14.122 6.216 1.971 248 HG SER 30 HG SER 30 -14.053 3.497 2.719 249 H GLY 31 H GLY 31 -10.072 4.759 3.752 250 HA2 GLY 31 HA2 GLY 31 -10.672 2.536 5.577 251 HA3 GLY 31 HA3 GLY 31 -9.878 2.064 4.061 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -6.480 4.762 -5.738 2 H2 LYS 1 H2 LYS 1 -6.772 6.285 -5.153 3 H3 LYS 1 H3 LYS 1 -7.882 5.540 -6.138 4 HA LYS 1 HA LYS 1 -7.071 4.324 -3.632 5 HB2 LYS 1 HB2 LYS 1 -9.057 5.316 -2.508 6 HB3 LYS 1 HB3 LYS 1 -7.747 6.431 -2.864 7 HG2 LYS 1 HG2 LYS 1 -9.048 7.256 -4.871 8 HG3 LYS 1 HG3 LYS 1 -10.358 6.166 -4.426 9 HD2 LYS 1 HD2 LYS 1 -10.773 8.498 -3.701 10 HD3 LYS 1 HD3 LYS 1 -10.748 7.366 -2.353 11 HE2 LYS 1 HE2 LYS 1 -9.592 9.469 -1.776 12 HE3 LYS 1 HE3 LYS 1 -8.506 8.080 -1.712 13 HZ1 LYS 1 HZ1 LYS 1 -8.560 10.141 -3.834 14 HZ2 LYS 1 HZ2 LYS 1 -7.276 9.679 -2.860 15 HZ3 LYS 1 HZ3 LYS 1 -7.725 8.705 -3.969 16 H LEU 2 H LEU 2 -8.836 2.920 -2.783 17 HA LEU 2 HA LEU 2 -10.458 1.569 -4.815 18 HB2 LEU 2 HB2 LEU 2 -8.045 0.317 -3.406 19 HB3 LEU 2 HB3 LEU 2 -9.219 -0.600 -4.301 20 HG LEU 2 HG LEU 2 -7.421 1.508 -5.560 21 HD11 LEU 2 HD11 LEU 2 -6.117 -0.369 -4.715 22 HD12 LEU 2 HD12 LEU 2 -7.214 -1.521 -5.507 23 HD13 LEU 2 HD13 LEU 2 -6.212 -0.430 -6.486 24 HD21 LEU 2 HD21 LEU 2 -8.128 0.446 -7.684 25 HD22 LEU 2 HD22 LEU 2 -9.242 -0.614 -6.796 26 HD23 LEU 2 HD23 LEU 2 -9.512 1.144 -6.841 27 HA PRO 3 HA PRO 3 -12.915 0.337 -1.286 28 HB2 PRO 3 HB2 PRO 3 -12.576 -2.515 -2.254 29 HB3 PRO 3 HB3 PRO 3 -14.079 -1.682 -1.743 30 HG2 PRO 3 HG2 PRO 3 -13.577 -1.959 -4.359 31 HG3 PRO 3 HG3 PRO 3 -14.121 -0.360 -3.741 32 HD2 PRO 3 HD2 PRO 3 -11.305 -1.285 -4.356 33 HD3 PRO 3 HD3 PRO 3 -12.119 0.239 -4.827 34 HA PRO 4 HA PRO 4 -10.760 -0.875 2.251 35 HB2 PRO 4 HB2 PRO 4 -12.691 -3.134 2.814 36 HB3 PRO 4 HB3 PRO 4 -12.096 -1.857 3.925 37 HG2 PRO 4 HG2 PRO 4 -14.516 -1.580 2.796 38 HG3 PRO 4 HG3 PRO 4 -13.392 -0.176 2.793 39 HD2 PRO 4 HD2 PRO 4 -13.926 -2.166 0.569 40 HD3 PRO 4 HD3 PRO 4 -13.869 -0.379 0.495 41 H GLY 5 H GLY 5 -9.947 -2.756 3.780 42 HA2 GLY 5 HA2 GLY 5 -8.712 -4.788 3.964 43 HA3 GLY 5 HA3 GLY 5 -8.584 -4.880 2.204 44 H TRP 6 H TRP 6 -7.901 -1.738 3.478 45 HA TRP 6 HA TRP 6 -5.302 -1.868 2.309 46 HB2 TRP 6 HB2 TRP 6 -6.717 0.344 3.806 47 HB3 TRP 6 HB3 TRP 6 -5.124 0.473 3.040 48 HD1 TRP 6 HD1 TRP 6 -8.814 0.403 2.056 49 HE1 TRP 6 HE1 TRP 6 -8.998 1.144 -0.401 50 HE3 TRP 6 HE3 TRP 6 -3.883 0.293 0.878 51 HZ2 TRP 6 HZ2 TRP 6 -7.091 2.164 -2.388 52 HZ3 TRP 6 HZ3 TRP 6 -3.089 1.037 -1.385 53 HH2 TRP 6 HH2 TRP 6 -4.697 1.996 -2.994 54 H GLU 7 H GLU 7 -3.369 -1.336 3.021 55 HA GLU 7 HA GLU 7 -2.583 -1.260 5.866 56 HB2 GLU 7 HB2 GLU 7 -1.770 -3.187 3.672 57 HB3 GLU 7 HB3 GLU 7 -0.598 -2.688 4.891 58 HG2 GLU 7 HG2 GLU 7 -2.285 -3.506 6.647 59 HG3 GLU 7 HG3 GLU 7 -3.148 -4.268 5.288 60 H LYS 8 H LYS 8 -0.320 -0.394 6.013 61 HA LYS 8 HA LYS 8 0.353 1.433 3.748 62 HB2 LYS 8 HB2 LYS 8 0.994 2.015 6.642 63 HB3 LYS 8 HB3 LYS 8 0.972 3.119 5.245 64 HG2 LYS 8 HG2 LYS 8 -1.511 2.720 5.055 65 HG3 LYS 8 HG3 LYS 8 -1.436 1.787 6.563 66 HD2 LYS 8 HD2 LYS 8 -0.629 3.802 7.772 67 HD3 LYS 8 HD3 LYS 8 -0.733 4.727 6.254 68 HE2 LYS 8 HE2 LYS 8 -3.170 3.915 6.107 69 HE3 LYS 8 HE3 LYS 8 -3.011 3.369 7.781 70 HZ1 LYS 8 HZ1 LYS 8 -2.606 5.674 8.417 71 HZ2 LYS 8 HZ2 LYS 8 -2.596 6.134 6.809 72 HZ3 LYS 8 HZ3 LYS 8 -3.976 5.625 7.451 73 H ARG 9 H ARG 9 2.528 1.890 3.299 74 HA ARG 9 HA ARG 9 4.617 -0.007 4.241 75 HB2 ARG 9 HB2 ARG 9 3.602 0.336 1.381 76 HB3 ARG 9 HB3 ARG 9 5.103 -0.492 1.795 77 HG2 ARG 9 HG2 ARG 9 2.315 -1.413 2.614 78 HG3 ARG 9 HG3 ARG 9 3.284 -2.059 1.291 79 HD2 ARG 9 HD2 ARG 9 5.043 -2.766 2.862 80 HD3 ARG 9 HD3 ARG 9 4.134 -2.118 4.225 81 HE ARG 9 HE ARG 9 3.555 -4.561 2.685 82 HH11 ARG 9 HH11 ARG 9 2.226 -2.343 5.195 83 HH12 ARG 9 HH12 ARG 9 1.193 -3.692 5.762 84 HH21 ARG 9 HH21 ARG 9 2.073 -6.059 3.619 85 HH22 ARG 9 HH22 ARG 9 1.090 -5.467 4.976 86 H MET 10 H MET 10 6.755 0.494 3.320 87 HA MET 10 HA MET 10 7.129 3.424 2.895 88 HB2 MET 10 HB2 MET 10 8.848 1.408 4.362 89 HB3 MET 10 HB3 MET 10 9.289 3.100 4.075 90 HG2 MET 10 HG2 MET 10 6.990 2.047 5.762 91 HG3 MET 10 HG3 MET 10 8.452 2.827 6.344 92 HE1 MET 10 HE1 MET 10 8.829 5.395 4.529 93 HE2 MET 10 HE2 MET 10 7.890 6.588 5.449 94 HE3 MET 10 HE3 MET 10 8.909 5.410 6.308 95 H SER 11 H SER 11 8.663 4.107 1.503 96 HA SER 11 HA SER 11 10.025 2.155 -0.300 97 HB2 SER 11 HB2 SER 11 8.250 2.765 -1.676 98 HB3 SER 11 HB3 SER 11 8.145 4.393 -1.008 99 HG SER 11 HG SER 11 10.441 4.462 -1.931 100 HN CFD 12 HN CFD 12 11.253 3.129 1.911 101 HA CFD 12 HA CFD 12 13.465 4.643 0.811 102 H1G1 CFD 12 H1G CFD 12 13.157 6.812 0.416 103 HD CFD 12 HD CFD 12 12.494 8.635 2.742 104 H ARG 13 H ARG 13 10.524 6.765 0.877 105 HA ARG 13 HA ARG 13 8.225 8.693 0.880 106 HB2 ARG 13 HB2 ARG 13 8.951 6.428 -0.991 107 HB3 ARG 13 HB3 ARG 13 7.343 7.175 -0.984 108 HG2 ARG 13 HG2 ARG 13 8.420 9.385 -1.437 109 HG3 ARG 13 HG3 ARG 13 9.974 8.548 -1.645 110 HD2 ARG 13 HD2 ARG 13 7.440 8.238 -3.308 111 HD3 ARG 13 HD3 ARG 13 8.999 8.901 -3.830 112 HE ARG 13 HE ARG 13 9.231 6.157 -2.896 113 HH11 ARG 13 HH11 ARG 13 8.283 7.950 -5.758 114 HH12 ARG 13 HH12 ARG 13 8.516 6.572 -6.802 115 HH21 ARG 13 HH21 ARG 13 9.442 4.473 -4.172 116 HH22 ARG 13 HH22 ARG 13 9.234 4.606 -5.913 117 H VAL 14 H VAL 14 6.164 7.828 1.048 118 HA VAL 14 HA VAL 14 5.808 5.236 2.462 119 HB VAL 14 HB VAL 14 5.552 7.023 4.097 120 HG11 VAL 14 HG11 VAL 14 3.745 8.674 3.985 121 HG12 VAL 14 HG12 VAL 14 4.877 8.908 2.651 122 HG13 VAL 14 HG13 VAL 14 3.308 8.129 2.355 123 HG21 VAL 14 HG21 VAL 14 2.832 5.843 3.391 124 HG22 VAL 14 HG22 VAL 14 4.119 5.015 4.296 125 HG23 VAL 14 HG23 VAL 14 3.358 6.460 4.969 126 H TYR 15 H TYR 15 4.025 4.020 1.754 127 HA TYR 15 HA TYR 15 2.151 5.182 -0.177 128 HB2 TYR 15 HB2 TYR 15 2.536 3.665 -1.931 129 HB3 TYR 15 HB3 TYR 15 4.087 4.354 -1.514 130 HD1 TYR 15 HD1 TYR 15 5.863 2.989 -0.488 131 HD2 TYR 15 HD2 TYR 15 2.071 1.288 -1.615 132 HE1 TYR 15 HE1 TYR 15 6.887 0.718 -0.501 133 HE2 TYR 15 HE2 TYR 15 3.085 -0.993 -1.591 134 HH TYR 15 HH TYR 15 6.537 -1.513 -0.840 135 H TYR 16 H TYR 16 0.403 3.520 -0.756 136 HA TYR 16 HA TYR 16 -0.211 1.855 1.669 137 HB2 TYR 16 HB2 TYR 16 -1.992 3.562 -0.084 138 HB3 TYR 16 HB3 TYR 16 -2.594 2.238 0.887 139 HD1 TYR 16 HD1 TYR 16 0.012 4.689 2.121 140 HD2 TYR 16 HD2 TYR 16 -4.084 3.342 2.250 141 HE1 TYR 16 HE1 TYR 16 -0.432 6.249 3.963 142 HE2 TYR 16 HE2 TYR 16 -4.562 5.016 4.025 143 HH TYR 16 HH TYR 16 -3.793 6.974 5.027 144 H PHE 17 H PHE 17 -1.069 -0.178 1.367 145 HA PHE 17 HA PHE 17 -1.470 -1.205 -1.383 146 HB2 PHE 17 HB2 PHE 17 0.472 -2.252 -1.244 147 HB3 PHE 17 HB3 PHE 17 0.668 -1.873 0.474 148 HD1 PHE 17 HD1 PHE 17 -0.195 -3.388 2.198 149 HD2 PHE 17 HD2 PHE 17 -0.363 -4.437 -1.974 150 HE1 PHE 17 HE1 PHE 17 -0.827 -5.704 2.818 151 HE2 PHE 17 HE2 PHE 17 -0.875 -6.792 -1.355 152 HZ PHE 17 HZ PHE 17 -1.098 -7.434 1.020 153 H ASN 18 H ASN 18 -2.844 -2.979 -1.521 154 HA ASN 18 HA ASN 18 -4.732 -3.172 0.805 155 HB2 ASN 18 HB2 ASN 18 -5.447 -2.158 -1.394 156 HB3 ASN 18 HB3 ASN 18 -5.308 -3.754 -2.102 157 HD21 ASN 18 HD21 ASN 18 -7.710 -1.798 -1.190 158 HD22 ASN 18 HD22 ASN 18 -8.773 -2.960 -0.430 159 H HIS 19 H HIS 19 -4.865 -4.993 1.952 160 HA HIS 19 HA HIS 19 -3.382 -7.365 1.196 161 HB2 HIS 19 HB2 HIS 19 -3.877 -6.327 3.528 162 HB3 HIS 19 HB3 HIS 19 -5.432 -7.142 3.428 163 HD1 HIS 19 HD1 HIS 19 -2.115 -7.593 4.747 164 HD2 HIS 19 HD2 HIS 19 -4.975 -10.067 2.859 165 HE1 HIS 19 HE1 HIS 19 -1.473 -10.039 5.322 166 HE2 HIS 19 HE2 HIS 19 -3.232 -11.533 4.154 167 H ILE 20 H ILE 20 -6.664 -6.331 0.611 168 HA ILE 20 HA ILE 20 -7.565 -9.089 -0.056 169 HB ILE 20 HB ILE 20 -9.154 -6.500 0.130 170 HG12 ILE 20 HG12 ILE 20 -8.902 -8.812 2.108 171 HG13 ILE 20 HG13 ILE 20 -8.251 -7.188 2.324 172 HG21 ILE 20 HG21 ILE 20 -10.131 -8.195 -1.431 173 HG22 ILE 20 HG22 ILE 20 -10.085 -9.399 -0.127 174 HG23 ILE 20 HG23 ILE 20 -11.129 -7.966 -0.008 175 HD11 ILE 20 HD11 ILE 20 -10.241 -7.311 3.621 176 HD12 ILE 20 HD12 ILE 20 -10.608 -6.282 2.220 177 HD13 ILE 20 HD13 ILE 20 -11.185 -7.967 2.277 178 H THR 21 H THR 21 -7.651 -5.788 -1.553 179 HA THR 21 HA THR 21 -8.150 -7.015 -4.170 180 HB THR 21 HB THR 21 -8.333 -4.832 -5.092 181 HG1 THR 21 HG1 THR 21 -7.930 -3.489 -2.726 182 HG21 THR 21 HG21 THR 21 -10.273 -5.625 -3.764 183 HG22 THR 21 HG22 THR 21 -9.638 -4.786 -2.332 184 HG23 THR 21 HG23 THR 21 -10.127 -3.859 -3.767 185 H ASN 22 H ASN 22 -5.295 -6.383 -2.463 186 HA ASN 22 HA ASN 22 -3.131 -6.411 -2.968 187 HB2 ASN 22 HB2 ASN 22 -4.272 -8.663 -4.604 188 HB3 ASN 22 HB3 ASN 22 -2.528 -8.413 -4.404 189 HD21 ASN 22 HD21 ASN 22 -5.550 -9.188 -2.581 190 HD22 ASN 22 HD22 ASN 22 -4.668 -9.560 -1.104 191 H ALA 23 H ALA 23 -4.128 -4.281 -4.040 192 HA ALA 23 HA ALA 23 -2.112 -3.740 -6.160 193 HB1 ALA 23 HB1 ALA 23 -4.840 -2.453 -5.755 194 HB2 ALA 23 HB2 ALA 23 -3.624 -1.924 -6.942 195 HB3 ALA 23 HB3 ALA 23 -4.377 -3.525 -7.090 196 H SER 24 H SER 24 -1.378 -1.376 -6.014 197 HA SER 24 HA SER 24 -1.418 -0.264 -3.281 198 HB2 SER 24 HB2 SER 24 1.019 -0.087 -3.226 199 HB3 SER 24 HB3 SER 24 0.543 -1.787 -3.419 200 HG SER 24 HG SER 24 2.228 -1.144 -4.865 201 H GLN 25 H GLN 25 -0.522 1.942 -3.181 202 HA GLN 25 HA GLN 25 0.334 3.356 -5.481 203 HB2 GLN 25 HB2 GLN 25 -1.565 5.064 -5.572 204 HB3 GLN 25 HB3 GLN 25 -1.795 3.555 -6.392 205 HG2 GLN 25 HG2 GLN 25 -2.865 3.305 -3.684 206 HG3 GLN 25 HG3 GLN 25 -3.429 4.799 -4.405 207 HE21 GLN 25 HE21 GLN 25 -2.859 1.613 -6.107 208 HE22 GLN 25 HE22 GLN 25 -4.568 1.485 -6.543 209 H PHE 26 H PHE 26 0.764 5.643 -5.056 210 HA PHE 26 HA PHE 26 1.607 6.104 -2.289 211 HB2 PHE 26 HB2 PHE 26 1.920 7.727 -4.843 212 HB3 PHE 26 HB3 PHE 26 2.608 8.164 -3.286 213 HD1 PHE 26 HD1 PHE 26 2.841 5.784 -6.126 214 HD2 PHE 26 HD2 PHE 26 4.503 6.967 -2.329 215 HE1 PHE 26 HE1 PHE 26 4.784 4.292 -6.509 216 HE2 PHE 26 HE2 PHE 26 6.445 5.470 -2.716 217 HZ PHE 26 HZ PHE 26 6.573 4.108 -4.795 218 H GLU 27 H GLU 27 -1.133 7.046 -4.242 219 HA GLU 27 HA GLU 27 -1.899 9.162 -2.337 220 HB2 GLU 27 HB2 GLU 27 -3.223 10.032 -3.919 221 HB3 GLU 27 HB3 GLU 27 -2.107 9.196 -4.958 222 HG2 GLU 27 HG2 GLU 27 -4.118 8.653 -5.918 223 HG3 GLU 27 HG3 GLU 27 -3.800 7.219 -4.949 224 H ARG 28 H ARG 28 -3.794 9.000 -1.020 225 HA ARG 28 HA ARG 28 -4.224 6.186 -0.231 226 HB2 ARG 28 HB2 ARG 28 -4.321 6.966 2.045 227 HB3 ARG 28 HB3 ARG 28 -2.861 7.539 1.230 228 HG2 ARG 28 HG2 ARG 28 -4.121 9.768 0.876 229 HG3 ARG 28 HG3 ARG 28 -5.335 9.123 1.997 230 HD2 ARG 28 HD2 ARG 28 -3.453 8.772 3.672 231 HD3 ARG 28 HD3 ARG 28 -2.368 9.583 2.548 232 HE ARG 28 HE ARG 28 -3.398 11.639 2.995 233 HH11 ARG 28 HH11 ARG 28 -5.117 9.077 4.805 234 HH12 ARG 28 HH12 ARG 28 -6.329 10.195 5.331 235 HH21 ARG 28 HH21 ARG 28 -4.844 13.038 4.043 236 HH22 ARG 28 HH22 ARG 28 -5.994 12.372 5.172 237 HA PRO 29 HA PRO 29 -8.723 6.488 -0.399 238 HB2 PRO 29 HB2 PRO 29 -9.430 4.434 1.224 239 HB3 PRO 29 HB3 PRO 29 -8.546 4.141 -0.298 240 HG2 PRO 29 HG2 PRO 29 -7.294 4.556 2.466 241 HG3 PRO 29 HG3 PRO 29 -7.135 3.112 1.426 242 HD2 PRO 29 HD2 PRO 29 -5.294 5.009 1.257 243 HD3 PRO 29 HD3 PRO 29 -5.968 4.329 -0.263 244 H SER 30 H SER 30 -7.805 8.637 0.982 245 HA SER 30 HA SER 30 -7.985 10.110 2.621 246 HB2 SER 30 HB2 SER 30 -10.231 10.549 3.221 247 HB3 SER 30 HB3 SER 30 -10.151 9.784 1.602 248 HG SER 30 HG SER 30 -10.465 7.734 2.928 249 H GLY 31 H GLY 31 -8.147 6.904 3.948 250 HA2 GLY 31 HA2 GLY 31 -7.539 7.892 6.697 251 HA3 GLY 31 HA3 GLY 31 -7.866 6.229 6.222 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -13.320 7.336 -1.972 2 H2 LYS 1 H2 LYS 1 -13.066 7.131 -3.592 3 H3 LYS 1 H3 LYS 1 -11.889 6.746 -2.519 4 HA LYS 1 HA LYS 1 -14.487 5.392 -2.719 5 HB2 LYS 1 HB2 LYS 1 -11.785 4.673 -3.824 6 HB3 LYS 1 HB3 LYS 1 -12.939 3.391 -3.420 7 HG2 LYS 1 HG2 LYS 1 -14.488 3.995 -5.006 8 HG3 LYS 1 HG3 LYS 1 -13.998 5.669 -5.036 9 HD2 LYS 1 HD2 LYS 1 -11.757 4.792 -6.110 10 HD3 LYS 1 HD3 LYS 1 -12.661 3.290 -6.365 11 HE2 LYS 1 HE2 LYS 1 -12.876 4.568 -8.375 12 HE3 LYS 1 HE3 LYS 1 -14.438 4.693 -7.547 13 HZ1 LYS 1 HZ1 LYS 1 -13.578 6.869 -6.621 14 HZ2 LYS 1 HZ2 LYS 1 -12.258 6.734 -7.423 15 HZ3 LYS 1 HZ3 LYS 1 -13.674 6.899 -8.293 16 H LEU 2 H LEU 2 -11.873 3.388 -1.663 17 HA LEU 2 HA LEU 2 -12.954 3.593 1.114 18 HB2 LEU 2 HB2 LEU 2 -14.002 1.819 -0.303 19 HB3 LEU 2 HB3 LEU 2 -12.413 1.096 -0.520 20 HG LEU 2 HG LEU 2 -12.309 0.864 2.045 21 HD11 LEU 2 HD11 LEU 2 -14.457 0.847 3.240 22 HD12 LEU 2 HD12 LEU 2 -14.152 2.468 2.605 23 HD13 LEU 2 HD13 LEU 2 -15.304 1.402 1.783 24 HD21 LEU 2 HD21 LEU 2 -12.762 -1.032 0.554 25 HD22 LEU 2 HD22 LEU 2 -13.703 -1.158 2.046 26 HD23 LEU 2 HD23 LEU 2 -14.496 -0.632 0.544 27 HA PRO 3 HA PRO 3 -8.427 3.664 1.794 28 HB2 PRO 3 HB2 PRO 3 -9.441 5.071 4.257 29 HB3 PRO 3 HB3 PRO 3 -7.997 5.420 3.270 30 HG2 PRO 3 HG2 PRO 3 -10.225 6.931 2.984 31 HG3 PRO 3 HG3 PRO 3 -9.338 6.386 1.521 32 HD2 PRO 3 HD2 PRO 3 -11.816 5.160 2.773 33 HD3 PRO 3 HD3 PRO 3 -11.493 5.563 1.062 34 HA PRO 4 HA PRO 4 -9.301 0.909 5.693 35 HB2 PRO 4 HB2 PRO 4 -12.124 0.093 4.996 36 HB3 PRO 4 HB3 PRO 4 -11.343 0.192 6.607 37 HG2 PRO 4 HG2 PRO 4 -13.006 2.161 5.801 38 HG3 PRO 4 HG3 PRO 4 -11.443 2.592 6.579 39 HD2 PRO 4 HD2 PRO 4 -12.104 2.500 3.623 40 HD3 PRO 4 HD3 PRO 4 -11.277 3.780 4.553 41 H GLY 5 H GLY 5 -8.995 -1.398 5.699 42 HA2 GLY 5 HA2 GLY 5 -8.782 -3.534 4.749 43 HA3 GLY 5 HA3 GLY 5 -9.439 -2.944 3.223 44 H TRP 6 H TRP 6 -6.950 -0.880 4.325 45 HA TRP 6 HA TRP 6 -4.902 -2.253 2.646 46 HB2 TRP 6 HB2 TRP 6 -5.325 0.687 3.034 47 HB3 TRP 6 HB3 TRP 6 -4.095 -0.047 2.017 48 HD1 TRP 6 HD1 TRP 6 -7.948 0.198 2.145 49 HE1 TRP 6 HE1 TRP 6 -8.839 0.821 -0.129 50 HE3 TRP 6 HE3 TRP 6 -3.555 0.254 -0.363 51 HZ2 TRP 6 HZ2 TRP 6 -7.765 0.985 -2.881 52 HZ3 TRP 6 HZ3 TRP 6 -3.476 0.623 -2.813 53 HH2 TRP 6 HH2 TRP 6 -5.586 1.002 -4.082 54 H GLU 7 H GLU 7 -2.765 -1.918 3.118 55 HA GLU 7 HA GLU 7 -2.103 -1.016 5.864 56 HB2 GLU 7 HB2 GLU 7 -0.667 -3.009 4.137 57 HB3 GLU 7 HB3 GLU 7 -0.175 -2.492 5.760 58 HG2 GLU 7 HG2 GLU 7 -2.356 -4.350 4.885 59 HG3 GLU 7 HG3 GLU 7 -1.190 -4.545 6.187 60 H LYS 8 H LYS 8 -0.219 0.078 6.177 61 HA LYS 8 HA LYS 8 0.516 1.913 3.951 62 HB2 LYS 8 HB2 LYS 8 0.803 3.512 6.024 63 HB3 LYS 8 HB3 LYS 8 -0.744 3.315 5.246 64 HG2 LYS 8 HG2 LYS 8 0.015 1.787 7.752 65 HG3 LYS 8 HG3 LYS 8 -0.728 3.380 7.769 66 HD2 LYS 8 HD2 LYS 8 -2.804 2.612 7.439 67 HD3 LYS 8 HD3 LYS 8 -2.326 1.549 6.125 68 HE2 LYS 8 HE2 LYS 8 -1.382 -0.048 7.867 69 HE3 LYS 8 HE3 LYS 8 -2.095 0.964 9.119 70 HZ1 LYS 8 HZ1 LYS 8 -4.202 0.215 8.533 71 HZ2 LYS 8 HZ2 LYS 8 -3.822 -0.088 6.948 72 HZ3 LYS 8 HZ3 LYS 8 -3.294 -1.113 8.069 73 H ARG 9 H ARG 9 2.561 1.760 3.384 74 HA ARG 9 HA ARG 9 4.602 0.744 5.327 75 HB2 ARG 9 HB2 ARG 9 4.192 -0.239 2.488 76 HB3 ARG 9 HB3 ARG 9 5.420 -0.805 3.603 77 HG2 ARG 9 HG2 ARG 9 2.435 -1.341 3.661 78 HG3 ARG 9 HG3 ARG 9 3.744 -2.470 3.372 79 HD2 ARG 9 HD2 ARG 9 2.772 -1.341 5.983 80 HD3 ARG 9 HD3 ARG 9 3.009 -2.996 5.508 81 HE ARG 9 HE ARG 9 5.427 -2.697 5.688 82 HH11 ARG 9 HH11 ARG 9 3.597 -0.059 7.240 83 HH12 ARG 9 HH12 ARG 9 4.804 0.114 8.487 84 HH21 ARG 9 HH21 ARG 9 6.986 -2.227 7.195 85 HH22 ARG 9 HH22 ARG 9 6.699 -1.019 8.408 86 H MET 10 H MET 10 6.814 0.922 4.596 87 HA MET 10 HA MET 10 7.453 3.498 3.492 88 HB2 MET 10 HB2 MET 10 9.726 2.857 3.925 89 HB3 MET 10 HB3 MET 10 8.715 2.407 5.302 90 HG2 MET 10 HG2 MET 10 9.664 0.466 3.160 91 HG3 MET 10 HG3 MET 10 10.477 0.744 4.689 92 HE1 MET 10 HE1 MET 10 10.490 -1.914 4.915 93 HE2 MET 10 HE2 MET 10 9.016 -2.908 4.912 94 HE3 MET 10 HE3 MET 10 9.523 -2.071 3.429 95 H SER 11 H SER 11 8.458 4.017 1.599 96 HA SER 11 HA SER 11 8.907 1.984 -0.520 97 HB2 SER 11 HB2 SER 11 6.760 2.806 -1.109 98 HB3 SER 11 HB3 SER 11 7.180 4.469 -0.674 99 HG SER 11 HG SER 11 8.822 4.268 -2.348 100 HN CFD 12 HN CFD 12 10.916 2.728 1.014 101 HA CFD 12 HA CFD 12 12.756 4.025 -0.718 102 H1G1 CFD 12 H1G CFD 12 12.736 6.174 -1.218 103 HD CFD 12 HD CFD 12 12.842 8.244 0.989 104 H ARG 13 H ARG 13 10.271 6.523 -0.222 105 HA ARG 13 HA ARG 13 8.277 8.670 0.373 106 HB2 ARG 13 HB2 ARG 13 8.822 7.547 -2.145 107 HB3 ARG 13 HB3 ARG 13 7.526 6.534 -1.563 108 HG2 ARG 13 HG2 ARG 13 6.344 8.165 -2.679 109 HG3 ARG 13 HG3 ARG 13 6.284 8.809 -1.041 110 HD2 ARG 13 HD2 ARG 13 8.143 9.656 -3.308 111 HD3 ARG 13 HD3 ARG 13 6.778 10.569 -2.664 112 HE ARG 13 HE ARG 13 9.207 9.900 -1.017 113 HH11 ARG 13 HH11 ARG 13 7.043 12.457 -2.114 114 HH12 ARG 13 HH12 ARG 13 7.775 13.619 -1.042 115 HH21 ARG 13 HH21 ARG 13 10.039 11.305 0.254 116 HH22 ARG 13 HH22 ARG 13 9.503 12.984 0.301 117 H VAL 14 H VAL 14 6.058 7.706 0.629 118 HA VAL 14 HA VAL 14 6.004 5.168 2.193 119 HB VAL 14 HB VAL 14 4.031 7.469 2.446 120 HG11 VAL 14 HG11 VAL 14 3.505 6.416 4.617 121 HG12 VAL 14 HG12 VAL 14 3.249 5.279 3.296 122 HG13 VAL 14 HG13 VAL 14 4.706 5.145 4.307 123 HG21 VAL 14 HG21 VAL 14 6.159 8.415 3.111 124 HG22 VAL 14 HG22 VAL 14 5.186 8.113 4.554 125 HG23 VAL 14 HG23 VAL 14 6.516 7.004 4.140 126 H TYR 15 H TYR 15 4.160 3.781 1.690 127 HA TYR 15 HA TYR 15 2.330 4.715 -0.392 128 HB2 TYR 15 HB2 TYR 15 2.739 3.190 -2.025 129 HB3 TYR 15 HB3 TYR 15 4.368 3.526 -1.503 130 HD1 TYR 15 HD1 TYR 15 5.380 1.836 0.296 131 HD2 TYR 15 HD2 TYR 15 1.936 0.996 -2.163 132 HE1 TYR 15 HE1 TYR 15 5.783 -0.602 0.562 133 HE2 TYR 15 HE2 TYR 15 2.309 -1.438 -1.851 134 HH TYR 15 HH TYR 15 3.628 -3.058 -0.882 135 H TYR 16 H TYR 16 0.607 3.182 -0.868 136 HA TYR 16 HA TYR 16 -0.421 1.850 1.580 137 HB2 TYR 16 HB2 TYR 16 -1.298 4.170 0.394 138 HB3 TYR 16 HB3 TYR 16 -2.192 2.979 -0.530 139 HD1 TYR 16 HD1 TYR 16 -1.340 3.536 3.096 140 HD2 TYR 16 HD2 TYR 16 -4.397 2.862 0.149 141 HE1 TYR 16 HE1 TYR 16 -3.079 3.556 4.902 142 HE2 TYR 16 HE2 TYR 16 -6.132 2.916 1.923 143 HH TYR 16 HH TYR 16 -6.521 2.803 4.189 144 H PHE 17 H PHE 17 -1.008 -0.246 1.292 145 HA PHE 17 HA PHE 17 -1.678 -1.233 -1.433 146 HB2 PHE 17 HB2 PHE 17 0.106 -2.453 -1.520 147 HB3 PHE 17 HB3 PHE 17 0.613 -1.916 0.102 148 HD1 PHE 17 HD1 PHE 17 0.014 -3.251 2.092 149 HD2 PHE 17 HD2 PHE 17 -0.843 -4.671 -1.878 150 HE1 PHE 17 HE1 PHE 17 -0.487 -5.512 3.015 151 HE2 PHE 17 HE2 PHE 17 -1.277 -6.945 -0.963 152 HZ PHE 17 HZ PHE 17 -1.110 -7.364 1.469 153 H ASN 18 H ASN 18 -3.240 -2.687 -1.651 154 HA ASN 18 HA ASN 18 -5.120 -2.783 0.625 155 HB2 ASN 18 HB2 ASN 18 -5.817 -2.153 -1.714 156 HB3 ASN 18 HB3 ASN 18 -5.565 -3.831 -2.180 157 HD21 ASN 18 HD21 ASN 18 -7.682 -1.633 -0.354 158 HD22 ASN 18 HD22 ASN 18 -8.846 -2.891 0.038 159 H HIS 19 H HIS 19 -5.440 -4.522 1.990 160 HA HIS 19 HA HIS 19 -3.767 -6.872 1.451 161 HB2 HIS 19 HB2 HIS 19 -4.076 -7.519 3.694 162 HB3 HIS 19 HB3 HIS 19 -3.720 -5.805 3.645 163 HD1 HIS 19 HD1 HIS 19 -5.070 -4.699 5.610 164 HD2 HIS 19 HD2 HIS 19 -7.020 -7.967 3.755 165 HE1 HIS 19 HE1 HIS 19 -7.302 -4.983 6.797 166 HE2 HIS 19 HE2 HIS 19 -8.508 -6.966 5.657 167 H ILE 20 H ILE 20 -6.742 -6.212 0.302 168 HA ILE 20 HA ILE 20 -7.584 -9.086 0.318 169 HB ILE 20 HB ILE 20 -9.316 -6.671 -0.330 170 HG12 ILE 20 HG12 ILE 20 -9.054 -8.091 2.353 171 HG13 ILE 20 HG13 ILE 20 -8.567 -6.428 1.992 172 HG21 ILE 20 HG21 ILE 20 -11.161 -8.263 -0.070 173 HG22 ILE 20 HG22 ILE 20 -10.013 -8.898 -1.237 174 HG23 ILE 20 HG23 ILE 20 -10.028 -9.545 0.415 175 HD11 ILE 20 HD11 ILE 20 -10.943 -5.856 1.482 176 HD12 ILE 20 HD12 ILE 20 -11.412 -7.476 2.063 177 HD13 ILE 20 HD13 ILE 20 -10.637 -6.330 3.165 178 H THR 21 H THR 21 -7.465 -6.153 -1.735 179 HA THR 21 HA THR 21 -7.698 -7.723 -4.198 180 HB THR 21 HB THR 21 -7.304 -4.722 -3.917 181 HG1 THR 21 HG1 THR 21 -9.743 -6.136 -3.798 182 HG21 THR 21 HG21 THR 21 -8.758 -6.436 -5.983 183 HG22 THR 21 HG22 THR 21 -8.866 -4.662 -5.887 184 HG23 THR 21 HG23 THR 21 -7.317 -5.430 -6.245 185 H ASN 22 H ASN 22 -5.032 -6.545 -2.340 186 HA ASN 22 HA ASN 22 -2.897 -6.177 -2.682 187 HB2 ASN 22 HB2 ASN 22 -3.275 -8.631 -3.530 188 HB3 ASN 22 HB3 ASN 22 -2.831 -7.970 -5.104 189 HD21 ASN 22 HD21 ASN 22 -0.715 -6.418 -4.788 190 HD22 ASN 22 HD22 ASN 22 0.580 -7.286 -3.923 191 H ALA 23 H ALA 23 -4.825 -4.423 -4.187 192 HA ALA 23 HA ALA 23 -3.259 -3.242 -6.334 193 HB1 ALA 23 HB1 ALA 23 -5.512 -2.107 -4.610 194 HB2 ALA 23 HB2 ALA 23 -4.880 -1.388 -6.105 195 HB3 ALA 23 HB3 ALA 23 -5.715 -2.953 -6.163 196 H SER 24 H SER 24 -2.024 -1.229 -6.169 197 HA SER 24 HA SER 24 -1.192 -0.409 -3.444 198 HB2 SER 24 HB2 SER 24 1.176 -0.651 -4.036 199 HB3 SER 24 HB3 SER 24 0.347 -2.220 -4.129 200 HG SER 24 HG SER 24 0.547 -0.542 -6.394 201 H GLN 25 H GLN 25 -0.787 1.749 -3.273 202 HA GLN 25 HA GLN 25 0.023 3.409 -5.546 203 HB2 GLN 25 HB2 GLN 25 -1.988 4.959 -5.159 204 HB3 GLN 25 HB3 GLN 25 -2.242 3.506 -6.116 205 HG2 GLN 25 HG2 GLN 25 -3.371 2.376 -4.323 206 HG3 GLN 25 HG3 GLN 25 -2.934 3.629 -3.154 207 HE21 GLN 25 HE21 GLN 25 -3.985 5.732 -3.338 208 HE22 GLN 25 HE22 GLN 25 -5.454 5.910 -4.310 209 H PHE 26 H PHE 26 0.455 5.719 -4.816 210 HA PHE 26 HA PHE 26 1.955 5.483 -2.397 211 HB2 PHE 26 HB2 PHE 26 1.487 7.843 -4.231 212 HB3 PHE 26 HB3 PHE 26 2.583 7.866 -2.853 213 HD1 PHE 26 HD1 PHE 26 4.269 5.788 -2.714 214 HD2 PHE 26 HD2 PHE 26 2.478 7.291 -6.337 215 HE1 PHE 26 HE1 PHE 26 6.054 4.706 -4.036 216 HE2 PHE 26 HE2 PHE 26 4.292 6.235 -7.661 217 HZ PHE 26 HZ PHE 26 6.078 4.936 -6.517 218 H GLU 27 H GLU 27 -1.144 7.290 -2.943 219 HA GLU 27 HA GLU 27 -1.290 7.571 0.005 220 HB2 GLU 27 HB2 GLU 27 -1.778 9.734 -0.254 221 HB3 GLU 27 HB3 GLU 27 -1.194 9.569 -1.882 222 HG2 GLU 27 HG2 GLU 27 -3.149 10.566 -2.344 223 HG3 GLU 27 HG3 GLU 27 -3.618 8.878 -2.498 224 H ARG 28 H ARG 28 -3.875 7.832 0.443 225 HA ARG 28 HA ARG 28 -4.980 5.177 0.133 226 HB2 ARG 28 HB2 ARG 28 -6.345 7.785 0.860 227 HB3 ARG 28 HB3 ARG 28 -6.968 6.195 1.213 228 HG2 ARG 28 HG2 ARG 28 -5.565 5.832 3.018 229 HG3 ARG 28 HG3 ARG 28 -4.281 6.876 2.422 230 HD2 ARG 28 HD2 ARG 28 -6.949 7.840 3.513 231 HD3 ARG 28 HD3 ARG 28 -5.395 7.868 4.378 232 HE ARG 28 HE ARG 28 -4.837 9.198 2.012 233 HH11 ARG 28 HH11 ARG 28 -7.324 9.942 4.391 234 HH12 ARG 28 HH12 ARG 28 -7.586 11.517 3.676 235 HH21 ARG 28 HH21 ARG 28 -5.257 10.912 1.143 236 HH22 ARG 28 HH22 ARG 28 -6.400 12.094 1.777 237 HA PRO 29 HA PRO 29 -7.429 5.946 -3.637 238 HB2 PRO 29 HB2 PRO 29 -9.472 4.230 -3.450 239 HB3 PRO 29 HB3 PRO 29 -7.791 3.627 -3.575 240 HG2 PRO 29 HG2 PRO 29 -9.342 4.146 -0.991 241 HG3 PRO 29 HG3 PRO 29 -8.639 2.596 -1.521 242 HD2 PRO 29 HD2 PRO 29 -7.224 4.236 0.086 243 HD3 PRO 29 HD3 PRO 29 -6.405 3.453 -1.299 244 H SER 30 H SER 30 -7.605 8.066 -2.099 245 HA SER 30 HA SER 30 -9.933 8.633 -0.648 246 HB2 SER 30 HB2 SER 30 -8.103 10.477 -2.235 247 HB3 SER 30 HB3 SER 30 -9.269 11.012 -1.000 248 HG SER 30 HG SER 30 -6.733 10.162 -0.649 249 H GLY 31 H GLY 31 -9.346 8.925 -4.112 250 HA2 GLY 31 HA2 GLY 31 -12.034 10.102 -4.656 251 HA3 GLY 31 HA3 GLY 31 -10.678 10.000 -5.789 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -6.576 4.582 -7.807 2 H2 LYS 1 H2 LYS 1 -5.555 4.091 -6.605 3 H3 LYS 1 H3 LYS 1 -5.811 5.712 -6.886 4 HA LYS 1 HA LYS 1 -6.977 4.601 -4.932 5 HB2 LYS 1 HB2 LYS 1 -9.009 5.991 -5.228 6 HB3 LYS 1 HB3 LYS 1 -7.477 6.822 -5.464 7 HG2 LYS 1 HG2 LYS 1 -7.849 6.413 -8.011 8 HG3 LYS 1 HG3 LYS 1 -9.507 6.019 -7.585 9 HD2 LYS 1 HD2 LYS 1 -10.032 8.203 -7.018 10 HD3 LYS 1 HD3 LYS 1 -8.403 8.598 -6.460 11 HE2 LYS 1 HE2 LYS 1 -9.104 8.170 -9.387 12 HE3 LYS 1 HE3 LYS 1 -9.098 9.753 -8.593 13 HZ1 LYS 1 HZ1 LYS 1 -6.938 9.241 -9.698 14 HZ2 LYS 1 HZ2 LYS 1 -6.736 9.442 -8.060 15 HZ3 LYS 1 HZ3 LYS 1 -6.694 7.993 -8.613 16 H LEU 2 H LEU 2 -8.437 3.101 -4.268 17 HA LEU 2 HA LEU 2 -9.859 1.392 -6.217 18 HB2 LEU 2 HB2 LEU 2 -7.463 0.644 -4.489 19 HB3 LEU 2 HB3 LEU 2 -8.556 -0.583 -5.047 20 HG LEU 2 HG LEU 2 -6.889 1.220 -6.841 21 HD11 LEU 2 HD11 LEU 2 -5.638 -0.837 -7.292 22 HD12 LEU 2 HD12 LEU 2 -5.581 -0.425 -5.572 23 HD13 LEU 2 HD13 LEU 2 -6.656 -1.728 -6.138 24 HD21 LEU 2 HD21 LEU 2 -8.732 -1.124 -7.515 25 HD22 LEU 2 HD22 LEU 2 -8.944 0.569 -8.027 26 HD23 LEU 2 HD23 LEU 2 -7.586 -0.369 -8.641 27 HA PRO 3 HA PRO 3 -12.682 0.539 -2.876 28 HB2 PRO 3 HB2 PRO 3 -11.982 -2.403 -2.962 29 HB3 PRO 3 HB3 PRO 3 -13.603 -1.635 -2.970 30 HG2 PRO 3 HG2 PRO 3 -12.589 -2.530 -5.278 31 HG3 PRO 3 HG3 PRO 3 -13.322 -0.888 -5.236 32 HD2 PRO 3 HD2 PRO 3 -10.401 -1.655 -5.012 33 HD3 PRO 3 HD3 PRO 3 -11.150 -0.430 -6.083 34 HA PRO 4 HA PRO 4 -10.988 0.262 1.188 35 HB2 PRO 4 HB2 PRO 4 -12.949 -1.879 2.005 36 HB3 PRO 4 HB3 PRO 4 -12.578 -0.318 2.805 37 HG2 PRO 4 HG2 PRO 4 -14.808 -0.545 1.313 38 HG3 PRO 4 HG3 PRO 4 -13.765 0.906 1.108 39 HD2 PRO 4 HD2 PRO 4 -13.808 -1.627 -0.567 40 HD3 PRO 4 HD3 PRO 4 -13.882 0.077 -1.106 41 H GLY 5 H GLY 5 -10.421 -1.276 3.184 42 HA2 GLY 5 HA2 GLY 5 -9.244 -3.026 4.123 43 HA3 GLY 5 HA3 GLY 5 -9.345 -3.906 2.597 44 H TRP 6 H TRP 6 -7.397 -1.597 4.494 45 HA TRP 6 HA TRP 6 -5.185 -1.833 2.496 46 HB2 TRP 6 HB2 TRP 6 -6.208 0.688 3.860 47 HB3 TRP 6 HB3 TRP 6 -4.746 0.578 2.874 48 HD1 TRP 6 HD1 TRP 6 -8.544 0.445 2.482 49 HE1 TRP 6 HE1 TRP 6 -9.102 0.670 -0.048 50 HE3 TRP 6 HE3 TRP 6 -3.827 0.533 0.569 51 HZ2 TRP 6 HZ2 TRP 6 -7.729 1.317 -2.397 52 HZ3 TRP 6 HZ3 TRP 6 -3.470 0.785 -1.898 53 HH2 TRP 6 HH2 TRP 6 -5.419 1.152 -3.398 54 H GLU 7 H GLU 7 -3.148 -1.285 3.086 55 HA GLU 7 HA GLU 7 -2.460 -0.827 5.947 56 HB2 GLU 7 HB2 GLU 7 -1.328 -2.795 3.967 57 HB3 GLU 7 HB3 GLU 7 -0.296 -2.087 5.219 58 HG2 GLU 7 HG2 GLU 7 -1.659 -3.112 6.958 59 HG3 GLU 7 HG3 GLU 7 -2.815 -3.707 5.743 60 H LYS 8 H LYS 8 -1.119 0.911 6.122 61 HA LYS 8 HA LYS 8 0.096 2.067 3.672 62 HB2 LYS 8 HB2 LYS 8 0.399 4.127 4.811 63 HB3 LYS 8 HB3 LYS 8 -1.263 3.585 4.968 64 HG2 LYS 8 HG2 LYS 8 -0.869 4.396 7.067 65 HG3 LYS 8 HG3 LYS 8 -0.574 2.677 7.297 66 HD2 LYS 8 HD2 LYS 8 1.983 3.577 6.663 67 HD3 LYS 8 HD3 LYS 8 1.299 5.030 7.351 68 HE2 LYS 8 HE2 LYS 8 2.504 3.756 9.032 69 HE3 LYS 8 HE3 LYS 8 0.789 3.835 9.456 70 HZ1 LYS 8 HZ1 LYS 8 1.837 1.535 7.929 71 HZ2 LYS 8 HZ2 LYS 8 1.989 1.570 9.586 72 HZ3 LYS 8 HZ3 LYS 8 0.508 1.607 8.867 73 H ARG 9 H ARG 9 2.216 1.987 3.294 74 HA ARG 9 HA ARG 9 4.004 0.623 5.287 75 HB2 ARG 9 HB2 ARG 9 3.363 -0.195 2.434 76 HB3 ARG 9 HB3 ARG 9 4.733 -0.837 3.352 77 HG2 ARG 9 HG2 ARG 9 3.193 -1.825 5.010 78 HG3 ARG 9 HG3 ARG 9 1.792 -1.163 4.132 79 HD2 ARG 9 HD2 ARG 9 2.336 -2.457 2.150 80 HD3 ARG 9 HD3 ARG 9 3.836 -3.037 2.894 81 HE ARG 9 HE ARG 9 1.566 -3.803 4.541 82 HH11 ARG 9 HH11 ARG 9 3.076 -4.680 1.488 83 HH12 ARG 9 HH12 ARG 9 2.518 -6.333 1.603 84 HH21 ARG 9 HH21 ARG 9 0.891 -5.745 4.638 85 HH22 ARG 9 HH22 ARG 9 1.272 -6.977 3.417 86 H MET 10 H MET 10 6.293 0.610 4.608 87 HA MET 10 HA MET 10 7.105 3.247 3.739 88 HB2 MET 10 HB2 MET 10 9.304 2.575 4.355 89 HB3 MET 10 HB3 MET 10 8.164 1.984 5.574 90 HG2 MET 10 HG2 MET 10 8.224 -0.270 4.482 91 HG3 MET 10 HG3 MET 10 9.474 0.318 3.388 92 HE1 MET 10 HE1 MET 10 12.570 0.781 5.690 93 HE2 MET 10 HE2 MET 10 11.958 0.725 4.023 94 HE3 MET 10 HE3 MET 10 11.456 2.039 5.118 95 H SER 11 H SER 11 8.268 3.865 1.973 96 HA SER 11 HA SER 11 8.682 1.964 -0.285 97 HB2 SER 11 HB2 SER 11 6.638 3.048 -0.838 98 HB3 SER 11 HB3 SER 11 7.220 4.621 -0.273 99 HG SER 11 HG SER 11 8.897 4.308 -1.934 100 HN CFD 12 HN CFD 12 10.652 2.516 1.497 101 HA CFD 12 HA CFD 12 12.670 3.867 -0.065 102 H1G1 CFD 12 H1G CFD 12 12.822 6.067 -0.221 103 HD CFD 12 HD CFD 12 12.782 7.785 2.278 104 H ARG 13 H ARG 13 10.322 6.375 0.607 105 HA ARG 13 HA ARG 13 8.337 8.576 1.074 106 HB2 ARG 13 HB2 ARG 13 8.597 6.509 -1.140 107 HB3 ARG 13 HB3 ARG 13 7.089 7.380 -0.862 108 HG2 ARG 13 HG2 ARG 13 8.054 9.486 -1.387 109 HG3 ARG 13 HG3 ARG 13 9.705 8.845 -1.323 110 HD2 ARG 13 HD2 ARG 13 9.173 9.098 -3.633 111 HD3 ARG 13 HD3 ARG 13 9.200 7.379 -3.278 112 HE ARG 13 HE ARG 13 6.890 7.228 -3.626 113 HH11 ARG 13 HH11 ARG 13 7.784 10.617 -3.814 114 HH12 ARG 13 HH12 ARG 13 6.300 11.067 -4.606 115 HH21 ARG 13 HH21 ARG 13 5.015 7.846 -4.612 116 HH22 ARG 13 HH22 ARG 13 4.764 9.511 -5.062 117 H VAL 14 H VAL 14 6.086 7.675 1.121 118 HA VAL 14 HA VAL 14 5.801 5.086 2.542 119 HB VAL 14 HB VAL 14 5.579 6.935 4.170 120 HG11 VAL 14 HG11 VAL 14 3.147 7.825 2.559 121 HG12 VAL 14 HG12 VAL 14 3.672 8.459 4.130 122 HG13 VAL 14 HG13 VAL 14 4.679 8.715 2.701 123 HG21 VAL 14 HG21 VAL 14 4.344 4.851 4.540 124 HG22 VAL 14 HG22 VAL 14 3.463 6.248 5.167 125 HG23 VAL 14 HG23 VAL 14 2.945 5.499 3.647 126 H TYR 15 H TYR 15 3.911 3.917 1.907 127 HA TYR 15 HA TYR 15 2.288 5.052 -0.292 128 HB2 TYR 15 HB2 TYR 15 2.863 3.562 -1.888 129 HB3 TYR 15 HB3 TYR 15 4.416 3.776 -1.129 130 HD1 TYR 15 HD1 TYR 15 5.186 1.923 0.588 131 HD2 TYR 15 HD2 TYR 15 1.864 1.462 -2.116 132 HE1 TYR 15 HE1 TYR 15 5.372 -0.547 0.781 133 HE2 TYR 15 HE2 TYR 15 1.988 -0.990 -1.837 134 HH TYR 15 HH TYR 15 3.123 -2.725 -0.967 135 H TYR 16 H TYR 16 0.586 3.391 -0.993 136 HA TYR 16 HA TYR 16 -0.673 2.119 1.413 137 HB2 TYR 16 HB2 TYR 16 -1.643 4.043 -0.643 138 HB3 TYR 16 HB3 TYR 16 -2.691 2.680 -0.384 139 HD1 TYR 16 HD1 TYR 16 -0.676 4.850 1.975 140 HD2 TYR 16 HD2 TYR 16 -4.531 3.270 0.859 141 HE1 TYR 16 HE1 TYR 16 -1.715 6.027 3.903 142 HE2 TYR 16 HE2 TYR 16 -5.573 4.462 2.784 143 HH TYR 16 HH TYR 16 -3.684 6.509 4.999 144 H PHE 17 H PHE 17 -0.999 -0.054 1.221 145 HA PHE 17 HA PHE 17 -1.530 -1.103 -1.517 146 HB2 PHE 17 HB2 PHE 17 0.271 -2.286 -1.397 147 HB3 PHE 17 HB3 PHE 17 0.588 -1.828 0.284 148 HD1 PHE 17 HD1 PHE 17 -0.775 -3.080 2.051 149 HD2 PHE 17 HD2 PHE 17 -0.122 -4.576 -1.911 150 HE1 PHE 17 HE1 PHE 17 -1.379 -5.353 2.845 151 HE2 PHE 17 HE2 PHE 17 -0.592 -6.875 -1.122 152 HZ PHE 17 HZ PHE 17 -1.267 -7.283 1.233 153 H ASN 18 H ASN 18 -3.008 -2.620 -1.784 154 HA ASN 18 HA ASN 18 -5.186 -2.465 0.224 155 HB2 ASN 18 HB2 ASN 18 -5.445 -2.011 -2.283 156 HB3 ASN 18 HB3 ASN 18 -5.267 -3.734 -2.535 157 HD21 ASN 18 HD21 ASN 18 -7.401 -1.216 -1.167 158 HD22 ASN 18 HD22 ASN 18 -8.719 -2.322 -0.799 159 H HIS 19 H HIS 19 -5.538 -4.132 1.701 160 HA HIS 19 HA HIS 19 -3.727 -6.406 1.607 161 HB2 HIS 19 HB2 HIS 19 -4.460 -5.236 3.679 162 HB3 HIS 19 HB3 HIS 19 -6.074 -5.926 3.479 163 HD1 HIS 19 HD1 HIS 19 -2.684 -6.710 4.945 164 HD2 HIS 19 HD2 HIS 19 -6.139 -8.772 3.607 165 HE1 HIS 19 HE1 HIS 19 -2.538 -9.080 5.898 166 HE2 HIS 19 HE2 HIS 19 -4.644 -10.339 5.078 167 H ILE 20 H ILE 20 -6.935 -5.955 0.356 168 HA ILE 20 HA ILE 20 -7.394 -8.885 0.066 169 HB ILE 20 HB ILE 20 -9.202 -6.553 -0.666 170 HG12 ILE 20 HG12 ILE 20 -8.896 -6.445 1.721 171 HG13 ILE 20 HG13 ILE 20 -10.498 -7.045 1.352 172 HG21 ILE 20 HG21 ILE 20 -9.735 -9.546 -0.443 173 HG22 ILE 20 HG22 ILE 20 -10.985 -8.301 -0.651 174 HG23 ILE 20 HG23 ILE 20 -9.777 -8.555 -1.912 175 HD11 ILE 20 HD11 ILE 20 -8.147 -8.768 2.262 176 HD12 ILE 20 HD12 ILE 20 -9.515 -8.241 3.255 177 HD13 ILE 20 HD13 ILE 20 -9.788 -9.359 1.908 178 H THR 21 H THR 21 -7.416 -5.976 -2.003 179 HA THR 21 HA THR 21 -7.392 -7.460 -4.482 180 HB THR 21 HB THR 21 -6.621 -4.543 -4.264 181 HG1 THR 21 HG1 THR 21 -8.345 -4.623 -2.923 182 HG21 THR 21 HG21 THR 21 -8.048 -4.333 -6.272 183 HG22 THR 21 HG22 THR 21 -6.742 -5.500 -6.530 184 HG23 THR 21 HG23 THR 21 -8.396 -6.074 -6.209 185 H ASN 22 H ASN 22 -4.893 -6.428 -2.332 186 HA ASN 22 HA ASN 22 -2.722 -6.344 -2.304 187 HB2 ASN 22 HB2 ASN 22 -3.212 -8.762 -4.016 188 HB3 ASN 22 HB3 ASN 22 -1.578 -8.304 -3.505 189 HD21 ASN 22 HD21 ASN 22 -4.882 -9.150 -2.148 190 HD22 ASN 22 HD22 ASN 22 -4.216 -9.423 -0.546 191 H ALA 23 H ALA 23 -4.052 -4.951 -4.793 192 HA ALA 23 HA ALA 23 -1.762 -4.110 -6.299 193 HB1 ALA 23 HB1 ALA 23 -3.294 -2.285 -7.014 194 HB2 ALA 23 HB2 ALA 23 -4.075 -3.879 -7.103 195 HB3 ALA 23 HB3 ALA 23 -4.445 -2.782 -5.753 196 H SER 24 H SER 24 -0.767 -2.005 -6.228 197 HA SER 24 HA SER 24 -0.435 -0.849 -3.494 198 HB2 SER 24 HB2 SER 24 1.697 -1.742 -5.486 199 HB3 SER 24 HB3 SER 24 2.023 -0.768 -4.049 200 HG SER 24 HG SER 24 0.843 -3.359 -4.082 201 H GLN 25 H GLN 25 -0.206 1.371 -3.431 202 HA GLN 25 HA GLN 25 0.311 2.959 -5.861 203 HB2 GLN 25 HB2 GLN 25 -1.914 4.152 -5.555 204 HB3 GLN 25 HB3 GLN 25 -2.014 2.527 -6.222 205 HG2 GLN 25 HG2 GLN 25 -2.804 1.599 -4.153 206 HG3 GLN 25 HG3 GLN 25 -2.371 3.051 -3.251 207 HE21 GLN 25 HE21 GLN 25 -4.036 4.299 -2.719 208 HE22 GLN 25 HE22 GLN 25 -5.562 4.423 -3.561 209 H PHE 26 H PHE 26 0.271 5.332 -5.385 210 HA PHE 26 HA PHE 26 1.044 5.960 -2.576 211 HB2 PHE 26 HB2 PHE 26 1.339 7.475 -5.180 212 HB3 PHE 26 HB3 PHE 26 1.752 8.141 -3.604 213 HD1 PHE 26 HD1 PHE 26 3.447 6.874 -2.122 214 HD2 PHE 26 HD2 PHE 26 3.003 6.169 -6.355 215 HE1 PHE 26 HE1 PHE 26 5.649 5.743 -2.162 216 HE2 PHE 26 HE2 PHE 26 5.237 5.088 -6.401 217 HZ PHE 26 HZ PHE 26 6.552 4.844 -4.303 218 H GLU 27 H GLU 27 -1.690 6.263 -4.647 219 HA GLU 27 HA GLU 27 -2.979 8.461 -3.203 220 HB2 GLU 27 HB2 GLU 27 -4.112 6.272 -5.015 221 HB3 GLU 27 HB3 GLU 27 -5.029 7.629 -4.368 222 HG2 GLU 27 HG2 GLU 27 -3.361 9.155 -5.576 223 HG3 GLU 27 HG3 GLU 27 -2.863 7.702 -6.463 224 H ARG 28 H ARG 28 -5.225 7.943 -2.274 225 HA ARG 28 HA ARG 28 -5.157 5.698 -0.307 226 HB2 ARG 28 HB2 ARG 28 -6.970 8.142 -0.596 227 HB3 ARG 28 HB3 ARG 28 -7.099 6.940 0.674 228 HG2 ARG 28 HG2 ARG 28 -4.703 7.554 1.350 229 HG3 ARG 28 HG3 ARG 28 -4.890 8.967 0.299 230 HD2 ARG 28 HD2 ARG 28 -6.548 8.230 2.755 231 HD3 ARG 28 HD3 ARG 28 -5.431 9.576 2.594 232 HE ARG 28 HE ARG 28 -6.982 10.765 1.257 233 HH11 ARG 28 HH11 ARG 28 -8.452 7.740 2.344 234 HH12 ARG 28 HH12 ARG 28 -9.993 8.118 1.587 235 HH21 ARG 28 HH21 ARG 28 -9.067 11.249 0.495 236 HH22 ARG 28 HH22 ARG 28 -10.351 10.073 0.742 237 HA PRO 29 HA PRO 29 -8.626 3.549 -2.346 238 HB2 PRO 29 HB2 PRO 29 -10.769 4.042 -0.468 239 HB3 PRO 29 HB3 PRO 29 -9.739 2.604 -0.616 240 HG2 PRO 29 HG2 PRO 29 -9.401 5.031 1.154 241 HG3 PRO 29 HG3 PRO 29 -9.065 3.311 1.547 242 HD2 PRO 29 HD2 PRO 29 -7.005 4.885 0.987 243 HD3 PRO 29 HD3 PRO 29 -7.105 3.317 0.141 244 H SER 30 H SER 30 -10.920 3.903 -3.137 245 HA SER 30 HA SER 30 -11.205 6.502 -4.383 246 HB2 SER 30 HB2 SER 30 -11.751 4.416 -5.544 247 HB3 SER 30 HB3 SER 30 -13.048 4.089 -4.372 248 HG SER 30 HG SER 30 -13.905 6.149 -4.969 249 H GLY 31 H GLY 31 -11.261 6.904 -1.632 250 HA2 GLY 31 HA2 GLY 31 -13.489 8.607 -1.167 251 HA3 GLY 31 HA3 GLY 31 -13.701 7.096 -0.252 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -7.798 6.550 8.052 2 H2 LYS 1 H2 LYS 1 -6.423 5.715 7.813 3 H3 LYS 1 H3 LYS 1 -6.519 6.742 9.087 4 HA LYS 1 HA LYS 1 -8.108 5.391 10.197 5 HB2 LYS 1 HB2 LYS 1 -9.034 3.416 9.285 6 HB3 LYS 1 HB3 LYS 1 -9.190 4.638 8.026 7 HG2 LYS 1 HG2 LYS 1 -7.127 3.700 6.926 8 HG3 LYS 1 HG3 LYS 1 -7.065 2.440 8.172 9 HD2 LYS 1 HD2 LYS 1 -9.309 1.617 7.434 10 HD3 LYS 1 HD3 LYS 1 -9.322 2.879 6.181 11 HE2 LYS 1 HE2 LYS 1 -8.508 0.987 5.037 12 HE3 LYS 1 HE3 LYS 1 -7.069 1.952 5.401 13 HZ1 LYS 1 HZ1 LYS 1 -7.952 -0.567 6.693 14 HZ2 LYS 1 HZ2 LYS 1 -6.462 -0.225 6.071 15 HZ3 LYS 1 HZ3 LYS 1 -6.967 0.385 7.498 16 H LEU 2 H LEU 2 -7.600 3.373 11.357 17 HA LEU 2 HA LEU 2 -4.763 2.514 11.152 18 HB2 LEU 2 HB2 LEU 2 -5.212 3.914 13.123 19 HB3 LEU 2 HB3 LEU 2 -6.491 2.819 13.634 20 HG LEU 2 HG LEU 2 -4.826 1.008 13.965 21 HD11 LEU 2 HD11 LEU 2 -3.078 1.636 12.353 22 HD12 LEU 2 HD12 LEU 2 -2.777 3.155 13.235 23 HD13 LEU 2 HD13 LEU 2 -2.399 1.587 13.979 24 HD21 LEU 2 HD21 LEU 2 -4.120 3.618 15.367 25 HD22 LEU 2 HD22 LEU 2 -5.439 2.512 15.818 26 HD23 LEU 2 HD23 LEU 2 -3.758 1.979 15.950 27 HA PRO 3 HA PRO 3 -7.401 -1.419 12.081 28 HB2 PRO 3 HB2 PRO 3 -9.906 -0.670 10.556 29 HB3 PRO 3 HB3 PRO 3 -9.736 -1.769 11.962 30 HG2 PRO 3 HG2 PRO 3 -10.646 0.726 12.355 31 HG3 PRO 3 HG3 PRO 3 -9.380 0.074 13.456 32 HD2 PRO 3 HD2 PRO 3 -9.024 1.865 11.035 33 HD3 PRO 3 HD3 PRO 3 -8.361 2.061 12.688 34 HA PRO 4 HA PRO 4 -6.238 -3.377 8.343 35 HB2 PRO 4 HB2 PRO 4 -8.580 -5.273 8.544 36 HB3 PRO 4 HB3 PRO 4 -6.837 -5.642 8.337 37 HG2 PRO 4 HG2 PRO 4 -7.961 -5.897 10.765 38 HG3 PRO 4 HG3 PRO 4 -6.379 -5.054 10.623 39 HD2 PRO 4 HD2 PRO 4 -9.153 -3.825 10.756 40 HD3 PRO 4 HD3 PRO 4 -7.704 -3.442 11.728 41 H GLY 5 H GLY 5 -7.268 -4.761 6.277 42 HA2 GLY 5 HA2 GLY 5 -8.519 -4.556 4.244 43 HA3 GLY 5 HA3 GLY 5 -9.014 -2.913 4.699 44 H TRP 6 H TRP 6 -7.698 -1.202 4.012 45 HA TRP 6 HA TRP 6 -5.246 -1.729 2.529 46 HB2 TRP 6 HB2 TRP 6 -6.294 0.863 3.700 47 HB3 TRP 6 HB3 TRP 6 -4.819 0.684 2.773 48 HD1 TRP 6 HD1 TRP 6 -8.625 0.570 2.222 49 HE1 TRP 6 HE1 TRP 6 -9.041 1.513 -0.122 50 HE3 TRP 6 HE3 TRP 6 -3.813 0.626 0.529 51 HZ2 TRP 6 HZ2 TRP 6 -7.401 2.679 -2.220 52 HZ3 TRP 6 HZ3 TRP 6 -3.273 1.593 -1.710 53 HH2 TRP 6 HH2 TRP 6 -5.075 2.629 -3.073 54 H GLU 7 H GLU 7 -3.162 -1.212 3.102 55 HA GLU 7 HA GLU 7 -2.468 -0.738 5.962 56 HB2 GLU 7 HB2 GLU 7 -1.559 -2.893 4.054 57 HB3 GLU 7 HB3 GLU 7 -0.500 -2.308 5.333 58 HG2 GLU 7 HG2 GLU 7 -2.325 -2.917 6.997 59 HG3 GLU 7 HG3 GLU 7 -3.168 -3.715 5.648 60 H LYS 8 H LYS 8 -0.475 0.292 6.265 61 HA LYS 8 HA LYS 8 0.477 1.910 3.974 62 HB2 LYS 8 HB2 LYS 8 1.390 2.487 6.762 63 HB3 LYS 8 HB3 LYS 8 1.061 3.582 5.413 64 HG2 LYS 8 HG2 LYS 8 -1.416 3.164 5.789 65 HG3 LYS 8 HG3 LYS 8 -0.981 2.203 7.214 66 HD2 LYS 8 HD2 LYS 8 0.275 4.277 8.060 67 HD3 LYS 8 HD3 LYS 8 -0.564 5.182 6.802 68 HE2 LYS 8 HE2 LYS 8 -1.814 3.574 9.074 69 HE3 LYS 8 HE3 LYS 8 -1.729 5.336 8.974 70 HZ1 LYS 8 HZ1 LYS 8 -3.226 3.652 7.051 71 HZ2 LYS 8 HZ2 LYS 8 -3.914 4.433 8.322 72 HZ3 LYS 8 HZ3 LYS 8 -3.245 5.292 7.098 73 H ARG 9 H ARG 9 2.530 1.840 3.247 74 HA ARG 9 HA ARG 9 4.523 -0.105 4.350 75 HB2 ARG 9 HB2 ARG 9 3.709 0.342 1.453 76 HB3 ARG 9 HB3 ARG 9 4.948 -0.776 2.007 77 HG2 ARG 9 HG2 ARG 9 1.954 -1.094 2.524 78 HG3 ARG 9 HG3 ARG 9 2.862 -1.831 1.217 79 HD2 ARG 9 HD2 ARG 9 2.752 -3.543 2.730 80 HD3 ARG 9 HD3 ARG 9 4.370 -2.896 3.019 81 HE ARG 9 HE ARG 9 3.124 -1.517 4.888 82 HH11 ARG 9 HH11 ARG 9 2.022 -4.836 4.126 83 HH12 ARG 9 HH12 ARG 9 1.057 -4.787 5.626 84 HH21 ARG 9 HH21 ARG 9 1.971 -1.753 6.663 85 HH22 ARG 9 HH22 ARG 9 1.062 -3.288 6.915 86 H MET 10 H MET 10 6.722 0.275 3.341 87 HA MET 10 HA MET 10 7.154 3.155 2.690 88 HB2 MET 10 HB2 MET 10 8.582 1.336 4.622 89 HB3 MET 10 HB3 MET 10 9.443 2.686 3.868 90 HG2 MET 10 HG2 MET 10 6.851 2.972 5.430 91 HG3 MET 10 HG3 MET 10 8.465 3.266 6.080 92 HE1 MET 10 HE1 MET 10 6.886 6.863 5.836 93 HE2 MET 10 HE2 MET 10 6.014 5.350 6.178 94 HE3 MET 10 HE3 MET 10 7.611 5.645 6.909 95 H SER 11 H SER 11 8.473 3.708 1.186 96 HA SER 11 HA SER 11 10.100 1.723 -0.314 97 HB2 SER 11 HB2 SER 11 9.466 3.053 -2.388 98 HB3 SER 11 HB3 SER 11 8.257 1.953 -1.728 99 HG SER 11 HG SER 11 7.976 4.470 -0.667 100 HN CFD 12 HN CFD 12 11.646 2.539 1.248 101 HA CFD 12 HA CFD 12 13.295 4.650 0.266 102 H1G1 CFD 12 H1G CFD 12 13.161 6.836 0.537 103 HD CFD 12 HD CFD 12 12.115 8.047 3.089 104 H ARG 13 H ARG 13 10.441 6.667 0.478 105 HA ARG 13 HA ARG 13 8.167 8.601 0.654 106 HB2 ARG 13 HB2 ARG 13 9.249 8.545 -1.522 107 HB3 ARG 13 HB3 ARG 13 9.132 6.790 -1.588 108 HG2 ARG 13 HG2 ARG 13 7.492 7.773 -3.050 109 HG3 ARG 13 HG3 ARG 13 6.704 6.900 -1.754 110 HD2 ARG 13 HD2 ARG 13 6.961 9.655 -0.901 111 HD3 ARG 13 HD3 ARG 13 6.399 9.662 -2.579 112 HE ARG 13 HE ARG 13 4.972 7.732 -0.932 113 HH11 ARG 13 HH11 ARG 13 4.742 11.216 -1.768 114 HH12 ARG 13 HH12 ARG 13 2.997 11.121 -1.393 115 HH21 ARG 13 HH21 ARG 13 2.781 7.890 -0.659 116 HH22 ARG 13 HH22 ARG 13 2.084 9.519 -0.802 117 H VAL 14 H VAL 14 6.365 7.945 1.588 118 HA VAL 14 HA VAL 14 5.898 5.181 2.362 119 HB VAL 14 HB VAL 14 5.288 7.140 3.754 120 HG11 VAL 14 HG11 VAL 14 4.362 8.624 1.963 121 HG12 VAL 14 HG12 VAL 14 2.941 7.556 1.862 122 HG13 VAL 14 HG13 VAL 14 3.301 8.433 3.364 123 HG21 VAL 14 HG21 VAL 14 4.265 4.968 4.206 124 HG22 VAL 14 HG22 VAL 14 3.146 6.285 4.562 125 HG23 VAL 14 HG23 VAL 14 2.934 5.327 3.083 126 H TYR 15 H TYR 15 4.313 3.739 1.601 127 HA TYR 15 HA TYR 15 2.585 4.651 -0.584 128 HB2 TYR 15 HB2 TYR 15 3.078 3.070 -2.161 129 HB3 TYR 15 HB3 TYR 15 4.650 3.620 -1.639 130 HD1 TYR 15 HD1 TYR 15 2.273 0.810 -1.766 131 HD2 TYR 15 HD2 TYR 15 6.177 2.098 -0.460 132 HE1 TYR 15 HE1 TYR 15 2.975 -1.567 -1.522 133 HE2 TYR 15 HE2 TYR 15 6.888 -0.276 -0.233 134 HH TYR 15 HH TYR 15 6.257 -2.475 -0.460 135 H TYR 16 H TYR 16 0.875 2.996 -1.082 136 HA TYR 16 HA TYR 16 -0.071 1.740 1.465 137 HB2 TYR 16 HB2 TYR 16 -1.407 3.731 -0.385 138 HB3 TYR 16 HB3 TYR 16 -2.350 2.589 0.548 139 HD1 TYR 16 HD1 TYR 16 0.453 5.066 1.146 140 HD2 TYR 16 HD2 TYR 16 -3.192 3.259 2.571 141 HE1 TYR 16 HE1 TYR 16 0.505 6.535 3.134 142 HE2 TYR 16 HE2 TYR 16 -3.270 4.878 4.431 143 HH TYR 16 HH TYR 16 -2.311 6.740 5.414 144 H PHE 17 H PHE 17 -1.033 -0.194 1.285 145 HA PHE 17 HA PHE 17 -1.690 -1.246 -1.419 146 HB2 PHE 17 HB2 PHE 17 0.079 -2.520 -1.329 147 HB3 PHE 17 HB3 PHE 17 0.490 -1.995 0.302 148 HD1 PHE 17 HD1 PHE 17 -0.455 -3.205 2.268 149 HD2 PHE 17 HD2 PHE 17 -0.789 -4.735 -1.736 150 HE1 PHE 17 HE1 PHE 17 -1.079 -5.437 3.188 151 HE2 PHE 17 HE2 PHE 17 -1.333 -6.987 -0.825 152 HZ PHE 17 HZ PHE 17 -1.477 -7.342 1.616 153 H ASN 18 H ASN 18 -3.291 -2.702 -1.543 154 HA ASN 18 HA ASN 18 -5.137 -2.786 0.782 155 HB2 ASN 18 HB2 ASN 18 -5.928 -2.043 -1.457 156 HB3 ASN 18 HB3 ASN 18 -5.618 -3.662 -2.078 157 HD21 ASN 18 HD21 ASN 18 -7.993 -3.704 -2.562 158 HD22 ASN 18 HD22 ASN 18 -9.113 -3.945 -1.216 159 H HIS 19 H HIS 19 -5.105 -4.491 2.196 160 HA HIS 19 HA HIS 19 -3.849 -7.003 1.494 161 HB2 HIS 19 HB2 HIS 19 -4.188 -5.805 3.809 162 HB3 HIS 19 HB3 HIS 19 -5.736 -6.641 3.831 163 HD1 HIS 19 HD1 HIS 19 -2.378 -7.009 5.075 164 HD2 HIS 19 HD2 HIS 19 -5.248 -9.584 3.325 165 HE1 HIS 19 HE1 HIS 19 -1.679 -9.412 5.678 166 HE2 HIS 19 HE2 HIS 19 -3.440 -10.974 4.607 167 H ILE 20 H ILE 20 -7.004 -5.759 0.822 168 HA ILE 20 HA ILE 20 -8.245 -8.421 0.605 169 HB ILE 20 HB ILE 20 -9.332 -5.683 -0.116 170 HG12 ILE 20 HG12 ILE 20 -9.782 -7.356 2.399 171 HG13 ILE 20 HG13 ILE 20 -8.758 -5.925 2.315 172 HG21 ILE 20 HG21 ILE 20 -10.770 -8.347 0.245 173 HG22 ILE 20 HG22 ILE 20 -11.543 -6.785 -0.105 174 HG23 ILE 20 HG23 ILE 20 -10.499 -7.525 -1.303 175 HD11 ILE 20 HD11 ILE 20 -10.824 -5.265 3.291 176 HD12 ILE 20 HD12 ILE 20 -10.736 -4.547 1.670 177 HD13 ILE 20 HD13 ILE 20 -11.769 -5.969 1.975 178 H THR 21 H THR 21 -7.157 -5.888 -1.719 179 HA THR 21 HA THR 21 -7.486 -7.902 -3.916 180 HB THR 21 HB THR 21 -8.009 -6.126 -5.430 181 HG1 THR 21 HG1 THR 21 -7.974 -4.074 -4.925 182 HG21 THR 21 HG21 THR 21 -9.698 -5.708 -2.935 183 HG22 THR 21 HG22 THR 21 -10.152 -5.364 -4.616 184 HG23 THR 21 HG23 THR 21 -9.896 -7.038 -4.094 185 H ASN 22 H ASN 22 -4.991 -6.456 -2.270 186 HA ASN 22 HA ASN 22 -2.911 -5.905 -2.626 187 HB2 ASN 22 HB2 ASN 22 -3.100 -8.301 -3.661 188 HB3 ASN 22 HB3 ASN 22 -2.731 -7.483 -5.181 189 HD21 ASN 22 HD21 ASN 22 -0.732 -5.792 -4.733 190 HD22 ASN 22 HD22 ASN 22 0.621 -6.617 -3.928 191 H ALA 23 H ALA 23 -5.163 -4.444 -4.408 192 HA ALA 23 HA ALA 23 -3.792 -2.879 -6.311 193 HB1 ALA 23 HB1 ALA 23 -6.224 -2.764 -5.955 194 HB2 ALA 23 HB2 ALA 23 -5.974 -2.065 -4.335 195 HB3 ALA 23 HB3 ALA 23 -5.500 -1.154 -5.782 196 H SER 24 H SER 24 -2.156 -1.410 -6.145 197 HA SER 24 HA SER 24 -1.304 -0.485 -3.449 198 HB2 SER 24 HB2 SER 24 0.460 -1.883 -5.496 199 HB3 SER 24 HB3 SER 24 0.982 -1.216 -3.938 200 HG SER 24 HG SER 24 -0.896 -3.362 -4.308 201 H GLN 25 H GLN 25 -0.414 1.543 -3.405 202 HA GLN 25 HA GLN 25 0.513 2.943 -5.812 203 HB2 GLN 25 HB2 GLN 25 -1.288 4.718 -5.577 204 HB3 GLN 25 HB3 GLN 25 -1.813 3.187 -6.271 205 HG2 GLN 25 HG2 GLN 25 -2.897 2.510 -4.222 206 HG3 GLN 25 HG3 GLN 25 -2.178 3.843 -3.323 207 HE21 GLN 25 HE21 GLN 25 -3.410 5.675 -3.109 208 HE22 GLN 25 HE22 GLN 25 -4.833 6.014 -4.130 209 H PHE 26 H PHE 26 1.156 5.257 -5.287 210 HA PHE 26 HA PHE 26 2.556 5.264 -2.765 211 HB2 PHE 26 HB2 PHE 26 2.309 7.330 -4.964 212 HB3 PHE 26 HB3 PHE 26 3.269 7.570 -3.509 213 HD1 PHE 26 HD1 PHE 26 4.964 5.657 -2.879 214 HD2 PHE 26 HD2 PHE 26 3.405 6.326 -6.845 215 HE1 PHE 26 HE1 PHE 26 6.872 4.404 -3.841 216 HE2 PHE 26 HE2 PHE 26 5.327 5.080 -7.803 217 HZ PHE 26 HZ PHE 26 7.058 4.113 -6.304 218 H GLU 27 H GLU 27 -0.141 7.395 -3.932 219 HA GLU 27 HA GLU 27 -0.446 8.369 -1.194 220 HB2 GLU 27 HB2 GLU 27 -1.784 9.115 -3.804 221 HB3 GLU 27 HB3 GLU 27 -2.395 9.698 -2.253 222 HG2 GLU 27 HG2 GLU 27 0.404 10.104 -3.344 223 HG3 GLU 27 HG3 GLU 27 -0.854 11.345 -3.205 224 H ARG 28 H ARG 28 -2.682 8.680 -0.369 225 HA ARG 28 HA ARG 28 -3.519 5.907 0.191 226 HB2 ARG 28 HB2 ARG 28 -3.838 6.762 2.461 227 HB3 ARG 28 HB3 ARG 28 -2.266 7.243 1.825 228 HG2 ARG 28 HG2 ARG 28 -3.800 9.458 1.148 229 HG3 ARG 28 HG3 ARG 28 -4.615 8.897 2.602 230 HD2 ARG 28 HD2 ARG 28 -3.008 10.496 3.273 231 HD3 ARG 28 HD3 ARG 28 -2.419 8.919 3.795 232 HE ARG 28 HE ARG 28 -1.460 10.226 1.225 233 HH11 ARG 28 HH11 ARG 28 -0.515 8.611 4.229 234 HH12 ARG 28 HH12 ARG 28 1.149 9.100 4.018 235 HH21 ARG 28 HH21 ARG 28 0.513 10.531 0.879 236 HH22 ARG 28 HH22 ARG 28 1.785 10.091 2.031 237 HA PRO 29 HA PRO 29 -8.051 6.751 0.044 238 HB2 PRO 29 HB2 PRO 29 -8.883 4.825 1.761 239 HB3 PRO 29 HB3 PRO 29 -8.111 4.390 0.221 240 HG2 PRO 29 HG2 PRO 29 -6.695 4.718 2.908 241 HG3 PRO 29 HG3 PRO 29 -6.793 3.233 1.908 242 HD2 PRO 29 HD2 PRO 29 -4.718 4.809 1.548 243 HD3 PRO 29 HD3 PRO 29 -5.631 4.273 0.088 244 H SER 30 H SER 30 -9.362 6.321 2.610 245 HA SER 30 HA SER 30 -9.097 8.816 3.954 246 HB2 SER 30 HB2 SER 30 -11.174 7.551 3.891 247 HB3 SER 30 HB3 SER 30 -10.443 6.252 4.857 248 HG SER 30 HG SER 30 -10.024 7.893 6.445 249 H GLY 31 H GLY 31 -6.513 8.052 3.975 250 HA2 GLY 31 HA2 GLY 31 -4.807 8.639 5.429 251 HA3 GLY 31 HA3 GLY 31 -5.845 8.344 6.815 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -6.964 5.582 -6.450 2 H2 LYS 1 H2 LYS 1 -6.030 6.391 -7.539 3 H3 LYS 1 H3 LYS 1 -5.589 4.895 -7.052 4 HA LYS 1 HA LYS 1 -8.027 5.496 -8.591 5 HB2 LYS 1 HB2 LYS 1 -5.510 4.049 -9.505 6 HB3 LYS 1 HB3 LYS 1 -6.995 4.243 -10.433 7 HG2 LYS 1 HG2 LYS 1 -5.073 6.423 -9.585 8 HG3 LYS 1 HG3 LYS 1 -5.331 5.814 -11.208 9 HD2 LYS 1 HD2 LYS 1 -7.622 6.699 -11.241 10 HD3 LYS 1 HD3 LYS 1 -7.460 7.302 -9.587 11 HE2 LYS 1 HE2 LYS 1 -5.696 8.189 -11.904 12 HE3 LYS 1 HE3 LYS 1 -7.164 9.031 -11.387 13 HZ1 LYS 1 HZ1 LYS 1 -5.263 10.042 -10.328 14 HZ2 LYS 1 HZ2 LYS 1 -6.089 9.228 -9.148 15 HZ3 LYS 1 HZ3 LYS 1 -4.721 8.619 -9.725 16 H LEU 2 H LEU 2 -5.966 2.787 -7.357 17 HA LEU 2 HA LEU 2 -8.004 0.855 -7.965 18 HB2 LEU 2 HB2 LEU 2 -5.343 0.827 -6.528 19 HB3 LEU 2 HB3 LEU 2 -6.380 -0.569 -6.423 20 HG LEU 2 HG LEU 2 -4.632 -0.763 -8.147 21 HD11 LEU 2 HD11 LEU 2 -7.434 -0.834 -9.336 22 HD12 LEU 2 HD12 LEU 2 -6.015 -1.748 -9.872 23 HD13 LEU 2 HD13 LEU 2 -6.722 -2.085 -8.288 24 HD21 LEU 2 HD21 LEU 2 -4.739 0.357 -10.270 25 HD22 LEU 2 HD22 LEU 2 -6.183 1.265 -9.796 26 HD23 LEU 2 HD23 LEU 2 -4.621 1.580 -8.998 27 HA PRO 3 HA PRO 3 -10.707 0.869 -4.713 28 HB2 PRO 3 HB2 PRO 3 -10.340 -2.077 -4.177 29 HB3 PRO 3 HB3 PRO 3 -11.852 -1.163 -4.476 30 HG2 PRO 3 HG2 PRO 3 -10.739 -2.621 -6.461 31 HG3 PRO 3 HG3 PRO 3 -11.351 -0.969 -6.814 32 HD2 PRO 3 HD2 PRO 3 -8.499 -1.832 -6.241 33 HD3 PRO 3 HD3 PRO 3 -9.128 -0.807 -7.562 34 HA PRO 4 HA PRO 4 -8.862 1.064 -0.621 35 HB2 PRO 4 HB2 PRO 4 -11.672 0.744 0.411 36 HB3 PRO 4 HB3 PRO 4 -10.436 1.968 0.850 37 HG2 PRO 4 HG2 PRO 4 -12.442 2.633 -0.827 38 HG3 PRO 4 HG3 PRO 4 -10.761 3.136 -1.218 39 HD2 PRO 4 HD2 PRO 4 -12.285 0.723 -2.272 40 HD3 PRO 4 HD3 PRO 4 -11.381 1.982 -3.170 41 H GLY 5 H GLY 5 -9.063 0.080 1.648 42 HA2 GLY 5 HA2 GLY 5 -9.313 -2.006 2.949 43 HA3 GLY 5 HA3 GLY 5 -9.050 -2.923 1.458 44 H TRP 6 H TRP 6 -7.276 -0.053 2.711 45 HA TRP 6 HA TRP 6 -4.833 -1.185 1.827 46 HB2 TRP 6 HB2 TRP 6 -5.154 1.379 3.390 47 HB3 TRP 6 HB3 TRP 6 -3.892 0.910 2.222 48 HD1 TRP 6 HD1 TRP 6 -7.075 2.797 2.305 49 HE1 TRP 6 HE1 TRP 6 -7.688 3.477 -0.079 50 HE3 TRP 6 HE3 TRP 6 -3.751 -0.069 -0.156 51 HZ2 TRP 6 HZ2 TRP 6 -7.142 2.417 -2.791 52 HZ3 TRP 6 HZ3 TRP 6 -3.764 -0.255 -2.669 53 HH2 TRP 6 HH2 TRP 6 -5.530 0.937 -3.966 54 H GLU 7 H GLU 7 -2.827 -1.042 2.865 55 HA GLU 7 HA GLU 7 -2.534 -1.104 5.790 56 HB2 GLU 7 HB2 GLU 7 -2.334 -3.369 4.089 57 HB3 GLU 7 HB3 GLU 7 -0.677 -2.797 4.290 58 HG2 GLU 7 HG2 GLU 7 -2.478 -3.291 6.675 59 HG3 GLU 7 HG3 GLU 7 -1.456 -4.545 5.954 60 H LYS 8 H LYS 8 -0.524 -0.180 6.362 61 HA LYS 8 HA LYS 8 0.450 1.752 4.326 62 HB2 LYS 8 HB2 LYS 8 1.601 2.219 6.965 63 HB3 LYS 8 HB3 LYS 8 0.723 3.259 5.888 64 HG2 LYS 8 HG2 LYS 8 -0.546 3.301 7.786 65 HG3 LYS 8 HG3 LYS 8 -1.430 2.186 6.747 66 HD2 LYS 8 HD2 LYS 8 -1.185 1.735 9.274 67 HD3 LYS 8 HD3 LYS 8 -1.114 0.403 8.167 68 HE2 LYS 8 HE2 LYS 8 1.436 1.733 9.186 69 HE3 LYS 8 HE3 LYS 8 0.540 0.568 10.166 70 HZ1 LYS 8 HZ1 LYS 8 1.807 -0.015 7.544 71 HZ2 LYS 8 HZ2 LYS 8 2.129 -0.696 9.007 72 HZ3 LYS 8 HZ3 LYS 8 0.703 -0.990 8.224 73 H ARG 9 H ARG 9 2.380 1.672 3.356 74 HA ARG 9 HA ARG 9 4.551 -0.055 4.483 75 HB2 ARG 9 HB2 ARG 9 3.410 -0.083 1.655 76 HB3 ARG 9 HB3 ARG 9 4.830 -0.998 2.169 77 HG2 ARG 9 HG2 ARG 9 1.972 -1.415 3.157 78 HG3 ARG 9 HG3 ARG 9 2.837 -2.427 2.007 79 HD2 ARG 9 HD2 ARG 9 4.394 -3.195 3.678 80 HD3 ARG 9 HD3 ARG 9 3.861 -1.986 4.839 81 HE ARG 9 HE ARG 9 2.042 -3.253 5.456 82 HH11 ARG 9 HH11 ARG 9 3.277 -4.745 2.504 83 HH12 ARG 9 HH12 ARG 9 2.279 -6.158 2.737 84 HH21 ARG 9 HH21 ARG 9 0.968 -4.911 5.730 85 HH22 ARG 9 HH22 ARG 9 1.001 -6.330 4.650 86 H MET 10 H MET 10 6.636 0.224 3.232 87 HA MET 10 HA MET 10 7.028 3.146 2.753 88 HB2 MET 10 HB2 MET 10 8.784 1.073 4.092 89 HB3 MET 10 HB3 MET 10 9.394 2.623 3.509 90 HG2 MET 10 HG2 MET 10 8.935 2.892 5.823 91 HG3 MET 10 HG3 MET 10 7.775 3.836 4.906 92 HE1 MET 10 HE1 MET 10 8.403 0.787 7.259 93 HE2 MET 10 HE2 MET 10 6.808 0.007 7.348 94 HE3 MET 10 HE3 MET 10 7.753 -0.080 5.846 95 H SER 11 H SER 11 8.131 3.865 1.087 96 HA SER 11 HA SER 11 9.280 2.013 -0.950 97 HB2 SER 11 HB2 SER 11 8.095 3.311 -2.683 98 HB3 SER 11 HB3 SER 11 6.947 2.510 -1.598 99 HG SER 11 HG SER 11 7.921 5.128 -1.214 100 HN CFD 12 HN CFD 12 11.337 2.667 -0.265 101 HA CFD 12 HA CFD 12 12.496 4.922 -1.476 102 H1G1 CFD 12 H1G CFD 12 12.223 7.058 -1.022 103 HD CFD 12 HD CFD 12 12.523 8.031 1.828 104 H ARG 13 H ARG 13 9.808 6.817 0.155 105 HA ARG 13 HA ARG 13 7.943 8.648 1.613 106 HB2 ARG 13 HB2 ARG 13 8.184 8.179 -1.192 107 HB3 ARG 13 HB3 ARG 13 6.740 7.311 -0.696 108 HG2 ARG 13 HG2 ARG 13 6.193 9.595 0.600 109 HG3 ARG 13 HG3 ARG 13 7.363 10.259 -0.545 110 HD2 ARG 13 HD2 ARG 13 5.260 10.589 -1.547 111 HD3 ARG 13 HD3 ARG 13 5.920 9.177 -2.397 112 HE ARG 13 HE ARG 13 4.482 8.064 -0.301 113 HH11 ARG 13 HH11 ARG 13 3.403 10.273 -2.879 114 HH12 ARG 13 HH12 ARG 13 1.766 9.627 -2.730 115 HH21 ARG 13 HH21 ARG 13 2.471 7.498 -0.173 116 HH22 ARG 13 HH22 ARG 13 1.246 8.177 -1.299 117 H VAL 14 H VAL 14 5.849 7.892 2.116 118 HA VAL 14 HA VAL 14 5.623 4.997 2.775 119 HB VAL 14 HB VAL 14 3.922 7.336 3.722 120 HG11 VAL 14 HG11 VAL 14 4.099 4.464 4.741 121 HG12 VAL 14 HG12 VAL 14 3.114 5.763 5.441 122 HG13 VAL 14 HG13 VAL 14 2.738 5.152 3.828 123 HG21 VAL 14 HG21 VAL 14 6.195 5.884 5.143 124 HG22 VAL 14 HG22 VAL 14 6.190 7.583 4.614 125 HG23 VAL 14 HG23 VAL 14 5.095 7.059 5.898 126 H TYR 15 H TYR 15 3.904 3.797 1.905 127 HA TYR 15 HA TYR 15 2.048 5.095 -0.005 128 HB2 TYR 15 HB2 TYR 15 2.595 3.818 -1.809 129 HB3 TYR 15 HB3 TYR 15 4.175 4.181 -1.169 130 HD1 TYR 15 HD1 TYR 15 5.403 2.330 0.159 131 HD2 TYR 15 HD2 TYR 15 1.771 1.605 -2.036 132 HE1 TYR 15 HE1 TYR 15 5.967 -0.099 0.021 133 HE2 TYR 15 HE2 TYR 15 2.260 -0.827 -2.045 134 HH TYR 15 HH TYR 15 3.774 -2.443 -1.553 135 H TYR 16 H TYR 16 0.369 3.394 -0.812 136 HA TYR 16 HA TYR 16 -0.535 1.826 1.596 137 HB2 TYR 16 HB2 TYR 16 -1.985 3.471 -0.493 138 HB3 TYR 16 HB3 TYR 16 -2.767 2.130 0.306 139 HD1 TYR 16 HD1 TYR 16 -0.549 3.911 2.616 140 HD2 TYR 16 HD2 TYR 16 -4.462 3.842 0.800 141 HE1 TYR 16 HE1 TYR 16 -1.445 5.303 4.463 142 HE2 TYR 16 HE2 TYR 16 -5.360 5.197 2.662 143 HH TYR 16 HH TYR 16 -4.950 6.171 4.715 144 H PHE 17 H PHE 17 -0.635 -0.336 1.348 145 HA PHE 17 HA PHE 17 -1.049 -1.427 -1.409 146 HB2 PHE 17 HB2 PHE 17 0.745 -2.609 -1.112 147 HB3 PHE 17 HB3 PHE 17 0.909 -2.155 0.586 148 HD1 PHE 17 HD1 PHE 17 -0.326 -3.486 2.316 149 HD2 PHE 17 HD2 PHE 17 -0.040 -4.795 -1.767 150 HE1 PHE 17 HE1 PHE 17 -1.054 -5.760 3.009 151 HE2 PHE 17 HE2 PHE 17 -0.706 -7.086 -1.077 152 HZ PHE 17 HZ PHE 17 -1.228 -7.573 1.301 153 H ASN 18 H ASN 18 -2.598 -3.010 -1.679 154 HA ASN 18 HA ASN 18 -4.784 -2.685 0.315 155 HB2 ASN 18 HB2 ASN 18 -5.197 -2.221 -2.090 156 HB3 ASN 18 HB3 ASN 18 -4.985 -3.942 -2.418 157 HD21 ASN 18 HD21 ASN 18 -7.497 -1.946 -2.431 158 HD22 ASN 18 HD22 ASN 18 -8.594 -2.769 -1.394 159 H HIS 19 H HIS 19 -5.171 -4.115 1.862 160 HA HIS 19 HA HIS 19 -3.712 -6.659 1.863 161 HB2 HIS 19 HB2 HIS 19 -4.236 -6.833 4.152 162 HB3 HIS 19 HB3 HIS 19 -3.786 -5.166 3.857 163 HD1 HIS 19 HD1 HIS 19 -5.549 -3.369 4.797 164 HD2 HIS 19 HD2 HIS 19 -6.977 -7.341 4.403 165 HE1 HIS 19 HE1 HIS 19 -7.849 -3.427 5.900 166 HE2 HIS 19 HE2 HIS 19 -8.735 -5.842 5.644 167 H ILE 20 H ILE 20 -6.572 -5.829 0.483 168 HA ILE 20 HA ILE 20 -7.711 -8.586 0.729 169 HB ILE 20 HB ILE 20 -9.166 -6.069 -0.172 170 HG12 ILE 20 HG12 ILE 20 -9.090 -7.235 2.642 171 HG13 ILE 20 HG13 ILE 20 -8.435 -5.672 2.129 172 HG21 ILE 20 HG21 ILE 20 -11.176 -7.420 0.189 173 HG22 ILE 20 HG22 ILE 20 -10.085 -8.280 -0.885 174 HG23 ILE 20 HG23 ILE 20 -10.196 -8.765 0.820 175 HD11 ILE 20 HD11 ILE 20 -10.735 -4.926 1.505 176 HD12 ILE 20 HD12 ILE 20 -11.370 -6.421 2.241 177 HD13 ILE 20 HD13 ILE 20 -10.497 -5.246 3.234 178 H THR 21 H THR 21 -7.236 -5.871 -1.530 179 HA THR 21 HA THR 21 -7.638 -7.586 -3.875 180 HB THR 21 HB THR 21 -6.939 -4.673 -4.117 181 HG1 THR 21 HG1 THR 21 -8.403 -4.135 -2.786 182 HG21 THR 21 HG21 THR 21 -8.771 -4.684 -5.768 183 HG22 THR 21 HG22 THR 21 -7.564 -5.919 -6.160 184 HG23 THR 21 HG23 THR 21 -9.101 -6.392 -5.402 185 H ASN 22 H ASN 22 -4.882 -6.841 -2.122 186 HA ASN 22 HA ASN 22 -2.725 -6.603 -2.446 187 HB2 ASN 22 HB2 ASN 22 -1.596 -8.294 -3.624 188 HB3 ASN 22 HB3 ASN 22 -3.085 -8.986 -2.991 189 HD21 ASN 22 HD21 ASN 22 -1.882 -7.366 -5.972 190 HD22 ASN 22 HD22 ASN 22 -2.697 -8.519 -7.058 191 H ALA 23 H ALA 23 -4.373 -4.686 -4.067 192 HA ALA 23 HA ALA 23 -2.643 -3.731 -6.164 193 HB1 ALA 23 HB1 ALA 23 -5.057 -3.218 -6.030 194 HB2 ALA 23 HB2 ALA 23 -4.793 -2.316 -4.519 195 HB3 ALA 23 HB3 ALA 23 -4.087 -1.735 -6.038 196 H SER 24 H SER 24 -1.759 -1.355 -5.974 197 HA SER 24 HA SER 24 -0.738 -0.598 -3.338 198 HB2 SER 24 HB2 SER 24 1.092 -1.573 -5.554 199 HB3 SER 24 HB3 SER 24 1.649 -0.529 -4.228 200 HG SER 24 HG SER 24 0.086 -2.742 -3.542 201 H GLN 25 H GLN 25 -0.486 1.562 -3.153 202 HA GLN 25 HA GLN 25 -0.600 3.275 -5.598 203 HB2 GLN 25 HB2 GLN 25 -2.456 3.438 -3.187 204 HB3 GLN 25 HB3 GLN 25 -2.435 4.557 -4.552 205 HG2 GLN 25 HG2 GLN 25 -3.125 1.604 -4.797 206 HG3 GLN 25 HG3 GLN 25 -4.287 2.884 -4.487 207 HE21 GLN 25 HE21 GLN 25 -1.822 1.884 -6.973 208 HE22 GLN 25 HE22 GLN 25 -2.686 2.708 -8.273 209 H PHE 26 H PHE 26 0.141 5.261 -5.437 210 HA PHE 26 HA PHE 26 1.466 6.212 -2.961 211 HB2 PHE 26 HB2 PHE 26 1.484 7.136 -5.858 212 HB3 PHE 26 HB3 PHE 26 2.276 8.011 -4.559 213 HD1 PHE 26 HD1 PHE 26 4.110 6.919 -3.208 214 HD2 PHE 26 HD2 PHE 26 2.566 5.181 -6.841 215 HE1 PHE 26 HE1 PHE 26 6.136 5.527 -3.398 216 HE2 PHE 26 HE2 PHE 26 4.592 3.756 -7.009 217 HZ PHE 26 HZ PHE 26 6.381 3.926 -5.290 218 H GLU 27 H GLU 27 -1.497 6.584 -4.656 219 HA GLU 27 HA GLU 27 -2.039 9.314 -3.950 220 HB2 GLU 27 HB2 GLU 27 -3.872 7.102 -4.956 221 HB3 GLU 27 HB3 GLU 27 -4.241 8.835 -5.030 222 HG2 GLU 27 HG2 GLU 27 -2.288 9.133 -6.577 223 HG3 GLU 27 HG3 GLU 27 -2.070 7.378 -6.591 224 H ARG 28 H ARG 28 -2.069 6.839 -2.144 225 HA ARG 28 HA ARG 28 -3.392 5.767 -0.512 226 HB2 ARG 28 HB2 ARG 28 -3.378 7.177 1.549 227 HB3 ARG 28 HB3 ARG 28 -1.880 6.923 0.678 228 HG2 ARG 28 HG2 ARG 28 -1.646 9.077 1.344 229 HG3 ARG 28 HG3 ARG 28 -2.178 9.289 -0.304 230 HD2 ARG 28 HD2 ARG 28 -3.276 10.905 1.054 231 HD3 ARG 28 HD3 ARG 28 -4.503 9.755 0.570 232 HE ARG 28 HE ARG 28 -3.142 9.865 3.261 233 HH11 ARG 28 HH11 ARG 28 -5.997 8.721 1.492 234 HH12 ARG 28 HH12 ARG 28 -6.908 8.659 3.027 235 HH21 ARG 28 HH21 ARG 28 -4.417 9.273 5.097 236 HH22 ARG 28 HH22 ARG 28 -6.073 8.754 4.768 237 HA PRO 29 HA PRO 29 -7.338 7.447 -2.216 238 HB2 PRO 29 HB2 PRO 29 -7.928 4.526 -2.574 239 HB3 PRO 29 HB3 PRO 29 -8.299 5.898 -3.663 240 HG2 PRO 29 HG2 PRO 29 -6.199 4.292 -4.205 241 HG3 PRO 29 HG3 PRO 29 -6.003 6.073 -4.334 242 HD2 PRO 29 HD2 PRO 29 -5.225 4.278 -2.012 243 HD3 PRO 29 HD3 PRO 29 -4.260 5.511 -2.850 244 H SER 30 H SER 30 -9.007 8.016 -0.994 245 HA SER 30 HA SER 30 -10.450 8.250 0.682 246 HB2 SER 30 HB2 SER 30 -11.431 7.032 -1.176 247 HB3 SER 30 HB3 SER 30 -11.167 5.494 -0.318 248 HG SER 30 HG SER 30 -12.304 6.640 1.477 249 H GLY 31 H GLY 31 -8.055 6.293 1.756 250 HA2 GLY 31 HA2 GLY 31 -9.378 6.019 4.445 251 HA3 GLY 31 HA3 GLY 31 -8.148 4.894 3.848 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -1.811 -3.907 13.478 2 H2 LYS 1 H2 LYS 1 -2.902 -5.140 13.606 3 H3 LYS 1 H3 LYS 1 -3.171 -3.726 14.396 4 HA LYS 1 HA LYS 1 -3.508 -2.548 12.357 5 HB2 LYS 1 HB2 LYS 1 -1.848 -3.695 11.042 6 HB3 LYS 1 HB3 LYS 1 -2.709 -5.220 11.132 7 HG2 LYS 1 HG2 LYS 1 -4.206 -2.923 9.891 8 HG3 LYS 1 HG3 LYS 1 -2.781 -3.501 9.033 9 HD2 LYS 1 HD2 LYS 1 -3.652 -5.818 9.063 10 HD3 LYS 1 HD3 LYS 1 -5.124 -5.267 9.840 11 HE2 LYS 1 HE2 LYS 1 -4.125 -4.577 7.038 12 HE3 LYS 1 HE3 LYS 1 -5.481 -5.617 7.479 13 HZ1 LYS 1 HZ1 LYS 1 -6.329 -3.447 8.614 14 HZ2 LYS 1 HZ2 LYS 1 -5.384 -2.698 7.431 15 HZ3 LYS 1 HZ3 LYS 1 -6.593 -3.681 7.026 16 H LEU 2 H LEU 2 -5.686 -2.206 12.093 17 HA LEU 2 HA LEU 2 -7.538 -4.159 13.179 18 HB2 LEU 2 HB2 LEU 2 -7.848 -1.398 11.935 19 HB3 LEU 2 HB3 LEU 2 -9.232 -2.378 12.356 20 HG LEU 2 HG LEU 2 -8.847 -0.734 14.043 21 HD11 LEU 2 HD11 LEU 2 -8.131 -3.460 15.194 22 HD12 LEU 2 HD12 LEU 2 -8.912 -2.107 16.026 23 HD13 LEU 2 HD13 LEU 2 -9.768 -2.942 14.722 24 HD21 LEU 2 HD21 LEU 2 -6.943 -0.625 15.496 25 HD22 LEU 2 HD22 LEU 2 -6.173 -2.011 14.716 26 HD23 LEU 2 HD23 LEU 2 -6.377 -0.473 13.827 27 HA PRO 3 HA PRO 3 -8.447 -6.607 9.815 28 HB2 PRO 3 HB2 PRO 3 -11.392 -5.979 10.097 29 HB3 PRO 3 HB3 PRO 3 -10.595 -7.568 9.873 30 HG2 PRO 3 HG2 PRO 3 -11.329 -6.792 12.348 31 HG3 PRO 3 HG3 PRO 3 -9.704 -7.515 12.099 32 HD2 PRO 3 HD2 PRO 3 -10.444 -4.595 12.371 33 HD3 PRO 3 HD3 PRO 3 -9.091 -5.503 13.106 34 HA PRO 4 HA PRO 4 -11.228 -3.927 6.715 35 HB2 PRO 4 HB2 PRO 4 -9.711 -1.363 7.290 36 HB3 PRO 4 HB3 PRO 4 -11.324 -1.559 6.519 37 HG2 PRO 4 HG2 PRO 4 -11.209 -1.043 9.156 38 HG3 PRO 4 HG3 PRO 4 -12.287 -2.360 8.580 39 HD2 PRO 4 HD2 PRO 4 -9.542 -2.558 9.809 40 HD3 PRO 4 HD3 PRO 4 -10.990 -3.567 10.116 41 H GLY 5 H GLY 5 -10.785 -3.551 4.557 42 HA2 GLY 5 HA2 GLY 5 -8.867 -5.138 3.488 43 HA3 GLY 5 HA3 GLY 5 -9.742 -3.913 2.587 44 H TRP 6 H TRP 6 -7.999 -1.869 4.420 45 HA TRP 6 HA TRP 6 -5.659 -1.993 2.564 46 HB2 TRP 6 HB2 TRP 6 -7.608 -0.073 2.539 47 HB3 TRP 6 HB3 TRP 6 -6.339 0.630 3.596 48 HD1 TRP 6 HD1 TRP 6 -4.168 1.484 2.454 49 HE1 TRP 6 HE1 TRP 6 -3.624 2.079 0.013 50 HE3 TRP 6 HE3 TRP 6 -7.928 -0.970 0.158 51 HZ2 TRP 6 HZ2 TRP 6 -4.895 1.915 -2.523 52 HZ3 TRP 6 HZ3 TRP 6 -8.371 -0.646 -2.308 53 HH2 TRP 6 HH2 TRP 6 -6.844 0.795 -3.650 54 H GLU 7 H GLU 7 -3.941 -0.609 3.192 55 HA GLU 7 HA GLU 7 -3.042 -0.446 5.990 56 HB2 GLU 7 HB2 GLU 7 -2.731 -2.759 4.225 57 HB3 GLU 7 HB3 GLU 7 -1.147 -2.108 4.602 58 HG2 GLU 7 HG2 GLU 7 -3.169 -2.612 6.812 59 HG3 GLU 7 HG3 GLU 7 -2.135 -3.895 6.183 60 H LYS 8 H LYS 8 -0.656 0.060 6.030 61 HA LYS 8 HA LYS 8 0.236 1.706 3.705 62 HB2 LYS 8 HB2 LYS 8 1.011 3.500 5.226 63 HB3 LYS 8 HB3 LYS 8 -0.719 3.299 5.055 64 HG2 LYS 8 HG2 LYS 8 -0.492 3.756 7.289 65 HG3 LYS 8 HG3 LYS 8 -0.732 2.026 7.269 66 HD2 LYS 8 HD2 LYS 8 2.112 2.398 7.146 67 HD3 LYS 8 HD3 LYS 8 1.520 3.627 8.243 68 HE2 LYS 8 HE2 LYS 8 2.073 1.748 9.566 69 HE3 LYS 8 HE3 LYS 8 0.305 1.830 9.547 70 HZ1 LYS 8 HZ1 LYS 8 1.748 0.145 7.598 71 HZ2 LYS 8 HZ2 LYS 8 1.433 -0.430 9.124 72 HZ3 LYS 8 HZ3 LYS 8 0.217 -0.052 8.100 73 H ARG 9 H ARG 9 2.342 1.882 3.248 74 HA ARG 9 HA ARG 9 4.297 0.082 4.606 75 HB2 ARG 9 HB2 ARG 9 3.317 0.005 1.712 76 HB3 ARG 9 HB3 ARG 9 4.763 -0.840 2.255 77 HG2 ARG 9 HG2 ARG 9 1.969 -1.417 3.328 78 HG3 ARG 9 HG3 ARG 9 2.735 -2.287 2.002 79 HD2 ARG 9 HD2 ARG 9 4.507 -3.106 3.406 80 HD3 ARG 9 HD3 ARG 9 4.026 -2.078 4.753 81 HE ARG 9 HE ARG 9 2.755 -4.590 3.886 82 HH11 ARG 9 HH11 ARG 9 2.226 -1.675 5.893 83 HH12 ARG 9 HH12 ARG 9 1.162 -2.621 6.946 84 HH21 ARG 9 HH21 ARG 9 1.259 -5.542 5.435 85 HH22 ARG 9 HH22 ARG 9 0.602 -4.434 6.665 86 H MET 10 H MET 10 6.484 0.255 3.501 87 HA MET 10 HA MET 10 7.011 3.034 2.552 88 HB2 MET 10 HB2 MET 10 8.540 1.279 4.494 89 HB3 MET 10 HB3 MET 10 9.255 2.682 3.684 90 HG2 MET 10 HG2 MET 10 8.582 3.486 5.774 91 HG3 MET 10 HG3 MET 10 7.400 4.102 4.627 92 HE1 MET 10 HE1 MET 10 5.306 3.762 7.905 93 HE2 MET 10 HE2 MET 10 6.989 4.302 7.710 94 HE3 MET 10 HE3 MET 10 5.746 4.815 6.543 95 H SER 11 H SER 11 8.464 3.316 0.959 96 HA SER 11 HA SER 11 9.500 0.921 -0.497 97 HB2 SER 11 HB2 SER 11 7.496 1.694 -1.632 98 HB3 SER 11 HB3 SER 11 8.084 3.372 -1.606 99 HG SER 11 HG SER 11 9.926 2.540 -2.789 100 HN CFD 12 HN CFD 12 10.965 2.313 1.383 101 HA CFD 12 HA CFD 12 13.179 3.349 -0.256 102 H1G1 CFD 12 H1G CFD 12 12.872 5.484 -0.830 103 HD CFD 12 HD CFD 12 13.054 7.518 1.389 104 H ARG 13 H ARG 13 10.347 5.940 0.124 105 HA ARG 13 HA ARG 13 8.540 8.160 0.917 106 HB2 ARG 13 HB2 ARG 13 8.969 7.000 -1.739 107 HB3 ARG 13 HB3 ARG 13 7.295 6.806 -1.264 108 HG2 ARG 13 HG2 ARG 13 8.813 9.436 -1.236 109 HG3 ARG 13 HG3 ARG 13 7.720 8.906 -2.520 110 HD2 ARG 13 HD2 ARG 13 6.958 9.571 0.349 111 HD3 ARG 13 HD3 ARG 13 6.665 10.559 -1.068 112 HE ARG 13 HE ARG 13 5.368 7.889 -0.531 113 HH11 ARG 13 HH11 ARG 13 5.063 11.000 -2.198 114 HH12 ARG 13 HH12 ARG 13 3.392 10.652 -2.584 115 HH21 ARG 13 HH21 ARG 13 3.398 7.587 -0.983 116 HH22 ARG 13 HH22 ARG 13 2.442 8.717 -1.964 117 H VAL 14 H VAL 14 6.461 7.683 1.350 118 HA VAL 14 HA VAL 14 5.835 4.981 2.430 119 HB VAL 14 HB VAL 14 4.318 7.605 2.714 120 HG11 VAL 14 HG11 VAL 14 3.147 6.474 4.582 121 HG12 VAL 14 HG12 VAL 14 2.828 5.662 3.053 122 HG13 VAL 14 HG13 VAL 14 3.989 4.960 4.204 123 HG21 VAL 14 HG21 VAL 14 6.472 7.779 3.864 124 HG22 VAL 14 HG22 VAL 14 5.184 7.599 5.053 125 HG23 VAL 14 HG23 VAL 14 6.214 6.208 4.649 126 H TYR 15 H TYR 15 4.064 3.783 1.672 127 HA TYR 15 HA TYR 15 2.342 4.923 -0.422 128 HB2 TYR 15 HB2 TYR 15 2.581 3.232 -1.987 129 HB3 TYR 15 HB3 TYR 15 4.210 3.692 -1.581 130 HD1 TYR 15 HD1 TYR 15 5.640 2.135 -0.206 131 HD2 TYR 15 HD2 TYR 15 1.722 1.014 -1.608 132 HE1 TYR 15 HE1 TYR 15 6.269 -0.267 -0.035 133 HE2 TYR 15 HE2 TYR 15 2.333 -1.394 -1.386 134 HH TYR 15 HH TYR 15 5.582 -2.431 -0.328 135 H TYR 16 H TYR 16 0.423 3.403 -0.829 136 HA TYR 16 HA TYR 16 -0.407 2.113 1.757 137 HB2 TYR 16 HB2 TYR 16 -1.755 4.224 0.066 138 HB3 TYR 16 HB3 TYR 16 -2.659 3.120 1.086 139 HD1 TYR 16 HD1 TYR 16 0.111 5.647 1.391 140 HD2 TYR 16 HD2 TYR 16 -3.256 3.644 3.199 141 HE1 TYR 16 HE1 TYR 16 0.202 7.212 3.332 142 HE2 TYR 16 HE2 TYR 16 -3.207 5.222 5.083 143 HH TYR 16 HH TYR 16 -2.122 7.038 6.031 144 H PHE 17 H PHE 17 -1.570 0.215 1.540 145 HA PHE 17 HA PHE 17 -2.385 -0.605 -1.178 146 HB2 PHE 17 HB2 PHE 17 -0.570 -1.918 -1.402 147 HB3 PHE 17 HB3 PHE 17 0.103 -1.145 0.022 148 HD1 PHE 17 HD1 PHE 17 -0.646 -2.182 2.348 149 HD2 PHE 17 HD2 PHE 17 -0.656 -4.263 -1.419 150 HE1 PHE 17 HE1 PHE 17 -0.566 -4.358 3.554 151 HE2 PHE 17 HE2 PHE 17 -0.557 -6.435 -0.221 152 HZ PHE 17 HZ PHE 17 -0.516 -6.490 2.261 153 H ASN 18 H ASN 18 -3.626 -2.274 -1.514 154 HA ASN 18 HA ASN 18 -5.574 -2.945 0.541 155 HB2 ASN 18 HB2 ASN 18 -6.099 -2.483 -1.867 156 HB3 ASN 18 HB3 ASN 18 -5.201 -3.913 -2.321 157 HD21 ASN 18 HD21 ASN 18 -8.139 -3.162 -2.587 158 HD22 ASN 18 HD22 ASN 18 -8.846 -4.693 -2.079 159 H HIS 19 H HIS 19 -5.413 -4.639 1.921 160 HA HIS 19 HA HIS 19 -3.155 -6.493 1.652 161 HB2 HIS 19 HB2 HIS 19 -3.370 -6.961 3.891 162 HB3 HIS 19 HB3 HIS 19 -3.817 -5.270 3.797 163 HD1 HIS 19 HD1 HIS 19 -5.572 -8.712 3.936 164 HD2 HIS 19 HD2 HIS 19 -6.103 -4.680 4.986 165 HE1 HIS 19 HE1 HIS 19 -7.680 -8.630 5.476 166 HE2 HIS 19 HE2 HIS 19 -7.982 -6.152 6.142 167 H ILE 20 H ILE 20 -6.019 -6.647 0.213 168 HA ILE 20 HA ILE 20 -6.213 -9.633 0.334 169 HB ILE 20 HB ILE 20 -8.421 -7.660 -0.381 170 HG12 ILE 20 HG12 ILE 20 -7.889 -8.932 2.334 171 HG13 ILE 20 HG13 ILE 20 -7.778 -7.211 1.932 172 HG21 ILE 20 HG21 ILE 20 -9.893 -9.599 -0.106 173 HG22 ILE 20 HG22 ILE 20 -8.625 -9.981 -1.260 174 HG23 ILE 20 HG23 ILE 20 -8.516 -10.606 0.398 175 HD11 ILE 20 HD11 ILE 20 -10.216 -7.185 1.410 176 HD12 ILE 20 HD12 ILE 20 -10.324 -8.858 2.016 177 HD13 ILE 20 HD13 ILE 20 -9.827 -7.553 3.101 178 H THR 21 H THR 21 -6.637 -6.775 -1.726 179 HA THR 21 HA THR 21 -6.434 -8.363 -4.207 180 HB THR 21 HB THR 21 -7.068 -5.416 -3.994 181 HG1 THR 21 HG1 THR 21 -8.949 -7.489 -3.666 182 HG21 THR 21 HG21 THR 21 -7.010 -6.207 -6.278 183 HG22 THR 21 HG22 THR 21 -8.058 -7.588 -5.878 184 HG23 THR 21 HG23 THR 21 -8.685 -5.920 -5.814 185 H ASN 22 H ASN 22 -4.212 -6.705 -2.331 186 HA ASN 22 HA ASN 22 -2.297 -5.675 -2.561 187 HB2 ASN 22 HB2 ASN 22 -0.623 -6.707 -3.790 188 HB3 ASN 22 HB3 ASN 22 -1.780 -7.966 -3.371 189 HD21 ASN 22 HD21 ASN 22 -1.037 -5.662 -6.045 190 HD22 ASN 22 HD22 ASN 22 -1.380 -6.862 -7.310 191 H ALA 23 H ALA 23 -4.575 -4.549 -4.528 192 HA ALA 23 HA ALA 23 -3.334 -2.736 -6.261 193 HB1 ALA 23 HB1 ALA 23 -5.783 -3.009 -6.045 194 HB2 ALA 23 HB2 ALA 23 -5.731 -2.281 -4.420 195 HB3 ALA 23 HB3 ALA 23 -5.314 -1.307 -5.846 196 H SER 24 H SER 24 -1.880 -1.138 -5.942 197 HA SER 24 HA SER 24 -1.289 -0.215 -3.161 198 HB2 SER 24 HB2 SER 24 0.669 -1.125 -5.309 199 HB3 SER 24 HB3 SER 24 1.095 -0.481 -3.717 200 HG SER 24 HG SER 24 -0.393 -2.902 -4.195 201 H GLN 25 H GLN 25 -0.842 1.938 -2.956 202 HA GLN 25 HA GLN 25 -0.592 3.615 -5.425 203 HB2 GLN 25 HB2 GLN 25 -2.476 4.078 -3.070 204 HB3 GLN 25 HB3 GLN 25 -2.211 5.170 -4.433 205 HG2 GLN 25 HG2 GLN 25 -2.990 3.297 -5.964 206 HG3 GLN 25 HG3 GLN 25 -3.452 2.403 -4.501 207 HE21 GLN 25 HE21 GLN 25 -4.008 5.498 -6.301 208 HE22 GLN 25 HE22 GLN 25 -5.626 5.736 -5.596 209 H PHE 26 H PHE 26 0.425 5.484 -5.281 210 HA PHE 26 HA PHE 26 1.835 6.247 -2.744 211 HB2 PHE 26 HB2 PHE 26 2.523 6.723 -5.662 212 HB3 PHE 26 HB3 PHE 26 3.250 7.635 -4.351 213 HD1 PHE 26 HD1 PHE 26 2.796 4.119 -5.608 214 HD2 PHE 26 HD2 PHE 26 5.142 6.808 -3.188 215 HE1 PHE 26 HE1 PHE 26 4.502 2.347 -5.286 216 HE2 PHE 26 HE2 PHE 26 6.860 5.039 -2.900 217 HZ PHE 26 HZ PHE 26 6.540 2.807 -3.943 218 H GLU 27 H GLU 27 -0.651 7.054 -5.016 219 HA GLU 27 HA GLU 27 -1.001 9.803 -4.283 220 HB2 GLU 27 HB2 GLU 27 -3.123 7.963 -5.347 221 HB3 GLU 27 HB3 GLU 27 -2.862 9.658 -5.787 222 HG2 GLU 27 HG2 GLU 27 -2.319 8.556 -7.749 223 HG3 GLU 27 HG3 GLU 27 -0.716 8.635 -7.010 224 H ARG 28 H ARG 28 -1.407 7.253 -2.648 225 HA ARG 28 HA ARG 28 -2.548 6.214 -1.054 226 HB2 ARG 28 HB2 ARG 28 -2.198 7.401 0.674 227 HB3 ARG 28 HB3 ARG 28 -2.188 8.868 -0.241 228 HG2 ARG 28 HG2 ARG 28 -4.811 7.769 0.869 229 HG3 ARG 28 HG3 ARG 28 -3.664 8.626 1.881 230 HD2 ARG 28 HD2 ARG 28 -5.321 10.182 1.151 231 HD3 ARG 28 HD3 ARG 28 -3.774 10.605 0.412 232 HE ARG 28 HE ARG 28 -4.529 9.589 -1.688 233 HH11 ARG 28 HH11 ARG 28 -7.146 10.645 0.460 234 HH12 ARG 28 HH12 ARG 28 -8.364 10.363 -0.770 235 HH21 ARG 28 HH21 ARG 28 -6.160 8.937 -2.961 236 HH22 ARG 28 HH22 ARG 28 -7.735 9.745 -2.790 237 HA PRO 29 HA PRO 29 -6.090 4.098 -1.712 238 HB2 PRO 29 HB2 PRO 29 -7.606 5.423 0.514 239 HB3 PRO 29 HB3 PRO 29 -7.303 3.685 0.197 240 HG2 PRO 29 HG2 PRO 29 -5.770 5.599 1.796 241 HG3 PRO 29 HG3 PRO 29 -5.514 3.833 1.662 242 HD2 PRO 29 HD2 PRO 29 -3.724 5.575 0.672 243 HD3 PRO 29 HD3 PRO 29 -4.127 4.078 -0.237 244 H SER 30 H SER 30 -7.813 3.980 -2.957 245 HA SER 30 HA SER 30 -8.758 6.044 -4.520 246 HB2 SER 30 HB2 SER 30 -10.415 4.451 -5.314 247 HB3 SER 30 HB3 SER 30 -8.860 3.630 -5.054 248 HG SER 30 HG SER 30 -10.921 3.795 -3.130 249 H GLY 31 H GLY 31 -9.257 7.748 -3.218 250 HA2 GLY 31 HA2 GLY 31 -11.840 8.685 -2.852 251 HA3 GLY 31 HA3 GLY 31 -11.302 8.009 -1.286 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -16.352 3.416 -4.946 2 H2 LYS 1 H2 LYS 1 -14.844 3.316 -4.366 3 H3 LYS 1 H3 LYS 1 -15.734 1.932 -4.527 4 HA LYS 1 HA LYS 1 -15.743 2.222 -6.947 5 HB2 LYS 1 HB2 LYS 1 -13.847 4.520 -6.311 6 HB3 LYS 1 HB3 LYS 1 -14.127 3.841 -7.913 7 HG2 LYS 1 HG2 LYS 1 -16.477 4.495 -7.858 8 HG3 LYS 1 HG3 LYS 1 -16.328 5.111 -6.218 9 HD2 LYS 1 HD2 LYS 1 -14.904 6.197 -8.680 10 HD3 LYS 1 HD3 LYS 1 -16.300 6.924 -7.894 11 HE2 LYS 1 HE2 LYS 1 -13.524 6.604 -6.656 12 HE3 LYS 1 HE3 LYS 1 -14.186 8.087 -7.340 13 HZ1 LYS 1 HZ1 LYS 1 -15.902 8.038 -5.603 14 HZ2 LYS 1 HZ2 LYS 1 -15.253 6.644 -4.972 15 HZ3 LYS 1 HZ3 LYS 1 -14.384 8.005 -4.927 16 H LEU 2 H LEU 2 -12.836 2.829 -4.899 17 HA LEU 2 HA LEU 2 -11.469 0.495 -6.115 18 HB2 LEU 2 HB2 LEU 2 -10.740 2.746 -4.226 19 HB3 LEU 2 HB3 LEU 2 -9.697 1.344 -4.341 20 HG LEU 2 HG LEU 2 -10.519 2.959 -6.793 21 HD11 LEU 2 HD11 LEU 2 -8.336 4.064 -6.665 22 HD12 LEU 2 HD12 LEU 2 -9.327 4.433 -5.246 23 HD13 LEU 2 HD13 LEU 2 -7.989 3.253 -5.130 24 HD21 LEU 2 HD21 LEU 2 -8.203 1.027 -6.304 25 HD22 LEU 2 HD22 LEU 2 -9.645 0.688 -7.291 26 HD23 LEU 2 HD23 LEU 2 -8.502 1.932 -7.796 27 HA PRO 3 HA PRO 3 -12.726 -2.383 -3.135 28 HB2 PRO 3 HB2 PRO 3 -10.481 -3.869 -2.475 29 HB3 PRO 3 HB3 PRO 3 -11.327 -3.952 -4.051 30 HG2 PRO 3 HG2 PRO 3 -8.892 -2.283 -3.334 31 HG3 PRO 3 HG3 PRO 3 -9.115 -3.362 -4.750 32 HD2 PRO 3 HD2 PRO 3 -9.501 -0.718 -4.963 33 HD3 PRO 3 HD3 PRO 3 -10.627 -1.843 -5.770 34 HA PRO 4 HA PRO 4 -11.908 -0.958 1.057 35 HB2 PRO 4 HB2 PRO 4 -13.135 -2.849 2.560 36 HB3 PRO 4 HB3 PRO 4 -14.058 -1.817 1.425 37 HG2 PRO 4 HG2 PRO 4 -12.995 -4.624 0.936 38 HG3 PRO 4 HG3 PRO 4 -14.664 -4.020 0.681 39 HD2 PRO 4 HD2 PRO 4 -12.813 -4.143 -1.338 40 HD3 PRO 4 HD3 PRO 4 -14.046 -2.847 -1.258 41 H GLY 5 H GLY 5 -10.932 -1.705 3.183 42 HA2 GLY 5 HA2 GLY 5 -9.438 -2.821 4.526 43 HA3 GLY 5 HA3 GLY 5 -9.457 -4.152 3.371 44 H TRP 6 H TRP 6 -7.834 -1.146 4.294 45 HA TRP 6 HA TRP 6 -5.547 -1.802 2.489 46 HB2 TRP 6 HB2 TRP 6 -6.665 0.897 3.281 47 HB3 TRP 6 HB3 TRP 6 -5.128 0.642 2.461 48 HD1 TRP 6 HD1 TRP 6 -8.865 -0.065 1.755 49 HE1 TRP 6 HE1 TRP 6 -9.282 0.163 -0.761 50 HE3 TRP 6 HE3 TRP 6 -4.085 0.885 0.264 51 HZ2 TRP 6 HZ2 TRP 6 -7.749 1.001 -3.078 52 HZ3 TRP 6 HZ3 TRP 6 -3.565 1.310 -2.134 53 HH2 TRP 6 HH2 TRP 6 -5.400 1.369 -3.814 54 H GLU 7 H GLU 7 -3.473 -1.047 3.115 55 HA GLU 7 HA GLU 7 -2.996 -0.289 5.930 56 HB2 GLU 7 HB2 GLU 7 -2.671 -2.898 4.926 57 HB3 GLU 7 HB3 GLU 7 -1.060 -2.226 4.800 58 HG2 GLU 7 HG2 GLU 7 -2.720 -2.236 7.357 59 HG3 GLU 7 HG3 GLU 7 -1.507 -3.447 6.935 60 H LYS 8 H LYS 8 -0.872 0.677 6.195 61 HA LYS 8 HA LYS 8 0.209 1.927 3.719 62 HB2 LYS 8 HB2 LYS 8 1.580 3.357 5.216 63 HB3 LYS 8 HB3 LYS 8 -0.147 3.580 5.235 64 HG2 LYS 8 HG2 LYS 8 0.270 3.863 7.391 65 HG3 LYS 8 HG3 LYS 8 -0.163 2.182 7.434 66 HD2 LYS 8 HD2 LYS 8 2.710 3.240 7.359 67 HD3 LYS 8 HD3 LYS 8 1.818 2.979 8.850 68 HE2 LYS 8 HE2 LYS 8 2.584 0.827 6.858 69 HE3 LYS 8 HE3 LYS 8 3.381 1.139 8.389 70 HZ1 LYS 8 HZ1 LYS 8 0.494 0.420 8.218 71 HZ2 LYS 8 HZ2 LYS 8 1.564 -0.695 8.298 72 HZ3 LYS 8 HZ3 LYS 8 1.455 0.396 9.564 73 H ARG 9 H ARG 9 2.376 1.891 3.186 74 HA ARG 9 HA ARG 9 4.095 -0.340 4.185 75 HB2 ARG 9 HB2 ARG 9 3.223 0.193 1.319 76 HB3 ARG 9 HB3 ARG 9 4.476 -0.957 1.772 77 HG2 ARG 9 HG2 ARG 9 1.525 -1.227 2.522 78 HG3 ARG 9 HG3 ARG 9 2.314 -1.941 1.125 79 HD2 ARG 9 HD2 ARG 9 2.394 -3.722 2.461 80 HD3 ARG 9 HD3 ARG 9 3.960 -3.010 2.868 81 HE ARG 9 HE ARG 9 2.081 -1.968 4.721 82 HH11 ARG 9 HH11 ARG 9 3.441 -5.093 3.909 83 HH12 ARG 9 HH12 ARG 9 3.071 -5.792 5.463 84 HH21 ARG 9 HH21 ARG 9 1.482 -2.972 6.722 85 HH22 ARG 9 HH22 ARG 9 2.054 -4.588 7.016 86 H MET 10 H MET 10 6.342 -0.107 3.115 87 HA MET 10 HA MET 10 6.963 2.753 2.538 88 HB2 MET 10 HB2 MET 10 7.784 1.423 4.762 89 HB3 MET 10 HB3 MET 10 9.067 0.968 3.634 90 HG2 MET 10 HG2 MET 10 9.780 2.931 4.805 91 HG3 MET 10 HG3 MET 10 9.438 3.399 3.141 92 HE1 MET 10 HE1 MET 10 9.424 5.903 3.673 93 HE2 MET 10 HE2 MET 10 8.509 6.667 4.990 94 HE3 MET 10 HE3 MET 10 9.851 5.562 5.365 95 H SER 11 H SER 11 8.683 3.179 1.133 96 HA SER 11 HA SER 11 10.124 1.040 -0.247 97 HB2 SER 11 HB2 SER 11 7.902 2.578 -1.604 98 HB3 SER 11 HB3 SER 11 9.326 2.022 -2.541 99 HG SER 11 HG SER 11 8.043 0.296 -0.717 100 HN CFD 12 HN CFD 12 12.093 1.765 -0.060 101 HA CFD 12 HA CFD 12 13.134 4.181 -1.086 102 H1G1 CFD 12 H1G CFD 12 12.890 6.266 -0.415 103 HD CFD 12 HD CFD 12 12.766 6.889 2.580 104 H ARG 13 H ARG 13 10.436 5.998 0.261 105 HA ARG 13 HA ARG 13 8.450 8.031 1.145 106 HB2 ARG 13 HB2 ARG 13 9.114 8.022 -1.213 107 HB3 ARG 13 HB3 ARG 13 8.648 6.335 -1.371 108 HG2 ARG 13 HG2 ARG 13 7.051 7.901 -2.387 109 HG3 ARG 13 HG3 ARG 13 6.304 6.879 -1.165 110 HD2 ARG 13 HD2 ARG 13 5.994 8.673 0.337 111 HD3 ARG 13 HD3 ARG 13 7.316 9.603 -0.366 112 HE ARG 13 HE ARG 13 5.948 10.382 -2.073 113 HH11 ARG 13 HH11 ARG 13 3.845 8.109 -0.211 114 HH12 ARG 13 HH12 ARG 13 2.448 9.122 -0.667 115 HH21 ARG 13 HH21 ARG 13 3.968 11.376 -2.575 116 HH22 ARG 13 HH22 ARG 13 2.514 10.660 -1.843 117 H VAL 14 H VAL 14 6.537 7.563 1.966 118 HA VAL 14 HA VAL 14 5.808 4.785 2.625 119 HB VAL 14 HB VAL 14 5.606 6.578 4.319 120 HG11 VAL 14 HG11 VAL 14 3.292 7.657 2.655 121 HG12 VAL 14 HG12 VAL 14 3.805 8.205 4.259 122 HG13 VAL 14 HG13 VAL 14 4.862 8.462 2.869 123 HG21 VAL 14 HG21 VAL 14 4.266 4.544 4.522 124 HG22 VAL 14 HG22 VAL 14 3.394 5.945 5.152 125 HG23 VAL 14 HG23 VAL 14 2.955 5.279 3.568 126 H TYR 15 H TYR 15 4.050 3.710 1.749 127 HA TYR 15 HA TYR 15 2.383 5.102 -0.244 128 HB2 TYR 15 HB2 TYR 15 2.691 3.650 -1.992 129 HB3 TYR 15 HB3 TYR 15 4.315 3.933 -1.433 130 HD1 TYR 15 HD1 TYR 15 1.540 1.535 -1.745 131 HD2 TYR 15 HD2 TYR 15 5.683 2.029 -0.633 132 HE1 TYR 15 HE1 TYR 15 1.833 -0.922 -1.792 133 HE2 TYR 15 HE2 TYR 15 5.964 -0.458 -0.701 134 HH TYR 15 HH TYR 15 3.305 -2.650 -1.609 135 H TYR 16 H TYR 16 0.491 3.609 -0.919 136 HA TYR 16 HA TYR 16 -0.570 2.299 1.542 137 HB2 TYR 16 HB2 TYR 16 -1.410 4.687 0.593 138 HB3 TYR 16 HB3 TYR 16 -2.376 3.628 -0.427 139 HD1 TYR 16 HD1 TYR 16 -1.336 3.777 3.203 140 HD2 TYR 16 HD2 TYR 16 -4.561 3.383 0.378 141 HE1 TYR 16 HE1 TYR 16 -2.964 3.593 5.086 142 HE2 TYR 16 HE2 TYR 16 -6.195 3.273 2.246 143 HH TYR 16 HH TYR 16 -6.471 3.233 4.534 144 H PHE 17 H PHE 17 -1.507 0.360 1.341 145 HA PHE 17 HA PHE 17 -1.889 -0.788 -1.378 146 HB2 PHE 17 HB2 PHE 17 -0.127 -2.032 -1.140 147 HB3 PHE 17 HB3 PHE 17 0.250 -1.253 0.389 148 HD1 PHE 17 HD1 PHE 17 -0.679 -2.288 2.540 149 HD2 PHE 17 HD2 PHE 17 -0.714 -4.328 -1.250 150 HE1 PHE 17 HE1 PHE 17 -0.918 -4.468 3.720 151 HE2 PHE 17 HE2 PHE 17 -0.983 -6.502 -0.077 152 HZ PHE 17 HZ PHE 17 -1.079 -6.575 2.405 153 H ASN 18 H ASN 18 -3.364 -2.314 -1.664 154 HA ASN 18 HA ASN 18 -5.470 -2.470 0.370 155 HB2 ASN 18 HB2 ASN 18 -5.871 -2.110 -2.109 156 HB3 ASN 18 HB3 ASN 18 -5.375 -3.778 -2.372 157 HD21 ASN 18 HD21 ASN 18 -7.769 -1.731 -0.605 158 HD22 ASN 18 HD22 ASN 18 -8.860 -3.085 -0.293 159 H HIS 19 H HIS 19 -5.569 -4.037 1.909 160 HA HIS 19 HA HIS 19 -3.678 -6.282 1.696 161 HB2 HIS 19 HB2 HIS 19 -3.840 -6.556 4.009 162 HB3 HIS 19 HB3 HIS 19 -3.734 -4.829 3.708 163 HD1 HIS 19 HD1 HIS 19 -6.682 -7.301 4.085 164 HD2 HIS 19 HD2 HIS 19 -5.200 -3.631 5.515 165 HE1 HIS 19 HE1 HIS 19 -8.403 -6.450 5.855 166 HE2 HIS 19 HE2 HIS 19 -7.452 -4.200 6.714 167 H ILE 20 H ILE 20 -6.376 -6.098 0.237 168 HA ILE 20 HA ILE 20 -7.044 -8.987 0.636 169 HB ILE 20 HB ILE 20 -8.869 -6.848 -0.537 170 HG12 ILE 20 HG12 ILE 20 -8.733 -7.797 2.347 171 HG13 ILE 20 HG13 ILE 20 -8.467 -6.160 1.724 172 HG21 ILE 20 HG21 ILE 20 -9.286 -9.198 -1.204 173 HG22 ILE 20 HG22 ILE 20 -9.443 -9.652 0.509 174 HG23 ILE 20 HG23 ILE 20 -10.610 -8.544 -0.254 175 HD11 ILE 20 HD11 ILE 20 -10.640 -6.191 2.713 176 HD12 ILE 20 HD12 ILE 20 -10.873 -6.128 0.954 177 HD13 ILE 20 HD13 ILE 20 -11.110 -7.654 1.838 178 H THR 21 H THR 21 -6.798 -6.333 -1.681 179 HA THR 21 HA THR 21 -6.729 -8.127 -4.007 180 HB THR 21 HB THR 21 -6.725 -5.111 -4.138 181 HG1 THR 21 HG1 THR 21 -8.248 -5.429 -2.627 182 HG21 THR 21 HG21 THR 21 -8.200 -7.239 -5.736 183 HG22 THR 21 HG22 THR 21 -8.319 -5.483 -5.984 184 HG23 THR 21 HG23 THR 21 -6.784 -6.307 -6.282 185 H ASN 22 H ASN 22 -4.396 -6.472 -2.129 186 HA ASN 22 HA ASN 22 -2.372 -5.777 -2.287 187 HB2 ASN 22 HB2 ASN 22 -0.867 -7.249 -2.934 188 HB3 ASN 22 HB3 ASN 22 -2.239 -8.257 -3.370 189 HD21 ASN 22 HD21 ASN 22 -3.061 -7.445 -5.828 190 HD22 ASN 22 HD22 ASN 22 -1.679 -7.520 -6.944 191 H ALA 23 H ALA 23 -4.388 -4.807 -4.690 192 HA ALA 23 HA ALA 23 -3.035 -3.107 -6.364 193 HB1 ALA 23 HB1 ALA 23 -4.997 -1.610 -6.153 194 HB2 ALA 23 HB2 ALA 23 -5.494 -3.312 -6.245 195 HB3 ALA 23 HB3 ALA 23 -5.503 -2.464 -4.680 196 H SER 24 H SER 24 -1.554 -1.561 -6.127 197 HA SER 24 HA SER 24 -1.048 -0.366 -3.433 198 HB2 SER 24 HB2 SER 24 0.876 -1.664 -5.403 199 HB3 SER 24 HB3 SER 24 1.374 -0.708 -4.003 200 HG SER 24 HG SER 24 -0.198 -3.126 -3.923 201 H GLN 25 H GLN 25 -0.566 1.752 -3.377 202 HA GLN 25 HA GLN 25 0.242 3.293 -5.747 203 HB2 GLN 25 HB2 GLN 25 -1.833 4.805 -5.378 204 HB3 GLN 25 HB3 GLN 25 -2.017 3.321 -6.306 205 HG2 GLN 25 HG2 GLN 25 -3.060 2.171 -4.429 206 HG3 GLN 25 HG3 GLN 25 -2.758 3.541 -3.361 207 HE21 GLN 25 HE21 GLN 25 -4.138 5.399 -3.543 208 HE22 GLN 25 HE22 GLN 25 -5.575 5.376 -4.588 209 H PHE 26 H PHE 26 0.800 5.579 -5.149 210 HA PHE 26 HA PHE 26 2.106 5.614 -2.609 211 HB2 PHE 26 HB2 PHE 26 1.659 7.736 -4.713 212 HB3 PHE 26 HB3 PHE 26 2.500 8.073 -3.208 213 HD1 PHE 26 HD1 PHE 26 4.362 6.291 -2.514 214 HD2 PHE 26 HD2 PHE 26 3.041 7.058 -6.548 215 HE1 PHE 26 HE1 PHE 26 6.470 5.314 -3.391 216 HE2 PHE 26 HE2 PHE 26 5.162 6.107 -7.418 217 HZ PHE 26 HZ PHE 26 6.874 5.230 -5.843 218 H GLU 27 H GLU 27 -1.030 6.966 -3.524 219 HA GLU 27 HA GLU 27 -1.410 7.879 -0.716 220 HB2 GLU 27 HB2 GLU 27 -2.569 8.937 -3.316 221 HB3 GLU 27 HB3 GLU 27 -2.917 9.584 -1.704 222 HG2 GLU 27 HG2 GLU 27 -0.284 9.645 -3.220 223 HG3 GLU 27 HG3 GLU 27 -1.290 11.022 -2.764 224 H ARG 28 H ARG 28 -3.869 8.154 -0.282 225 HA ARG 28 HA ARG 28 -4.919 5.483 -0.161 226 HB2 ARG 28 HB2 ARG 28 -6.096 8.170 0.639 227 HB3 ARG 28 HB3 ARG 28 -6.801 6.626 1.083 228 HG2 ARG 28 HG2 ARG 28 -5.306 6.202 2.725 229 HG3 ARG 28 HG3 ARG 28 -3.930 6.781 1.824 230 HD2 ARG 28 HD2 ARG 28 -5.922 8.445 3.399 231 HD3 ARG 28 HD3 ARG 28 -4.237 8.141 3.814 232 HE ARG 28 HE ARG 28 -5.243 10.234 2.168 233 HH11 ARG 28 HH11 ARG 28 -2.333 8.154 2.229 234 HH12 ARG 28 HH12 ARG 28 -1.513 9.316 1.146 235 HH21 ARG 28 HH21 ARG 28 -3.907 11.583 0.862 236 HH22 ARG 28 HH22 ARG 28 -2.284 10.958 0.490 237 HA PRO 29 HA PRO 29 -7.791 5.294 -3.611 238 HB2 PRO 29 HB2 PRO 29 -10.087 4.270 -2.434 239 HB3 PRO 29 HB3 PRO 29 -8.641 3.285 -2.816 240 HG2 PRO 29 HG2 PRO 29 -9.284 4.650 -0.170 241 HG3 PRO 29 HG3 PRO 29 -8.915 2.919 -0.450 242 HD2 PRO 29 HD2 PRO 29 -6.919 4.496 0.274 243 HD3 PRO 29 HD3 PRO 29 -6.676 3.437 -1.161 244 H SER 30 H SER 30 -9.420 6.533 -4.552 245 HA SER 30 HA SER 30 -10.373 8.907 -3.217 246 HB2 SER 30 HB2 SER 30 -11.267 9.414 -5.449 247 HB3 SER 30 HB3 SER 30 -9.585 8.849 -5.530 248 HG SER 30 HG SER 30 -10.756 7.787 -7.096 249 H GLY 31 H GLY 31 -11.392 6.181 -2.306 250 HA2 GLY 31 HA2 GLY 31 -13.353 5.318 -1.421 251 HA3 GLY 31 HA3 GLY 31 -14.255 6.704 -2.052 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -6.058 3.366 -6.360 2 H2 LYS 1 H2 LYS 1 -6.493 4.933 -6.622 3 H3 LYS 1 H3 LYS 1 -7.315 3.708 -7.375 4 HA LYS 1 HA LYS 1 -7.193 3.831 -4.477 5 HB2 LYS 1 HB2 LYS 1 -9.286 4.995 -4.337 6 HB3 LYS 1 HB3 LYS 1 -8.081 6.012 -5.091 7 HG2 LYS 1 HG2 LYS 1 -10.126 4.460 -6.747 8 HG3 LYS 1 HG3 LYS 1 -10.542 5.976 -5.982 9 HD2 LYS 1 HD2 LYS 1 -8.261 5.708 -7.979 10 HD3 LYS 1 HD3 LYS 1 -9.909 6.160 -8.400 11 HE2 LYS 1 HE2 LYS 1 -9.840 8.175 -7.148 12 HE3 LYS 1 HE3 LYS 1 -8.369 7.699 -6.285 13 HZ1 LYS 1 HZ1 LYS 1 -8.323 8.099 -9.204 14 HZ2 LYS 1 HZ2 LYS 1 -8.015 9.318 -8.124 15 HZ3 LYS 1 HZ3 LYS 1 -7.052 8.032 -8.130 16 H LEU 2 H LEU 2 -8.864 2.486 -3.492 17 HA LEU 2 HA LEU 2 -10.428 0.692 -5.122 18 HB2 LEU 2 HB2 LEU 2 -7.911 -0.213 -3.664 19 HB3 LEU 2 HB3 LEU 2 -9.249 -1.317 -3.892 20 HG LEU 2 HG LEU 2 -7.560 -0.072 -6.084 21 HD11 LEU 2 HD11 LEU 2 -6.926 -2.394 -6.471 22 HD12 LEU 2 HD12 LEU 2 -6.631 -1.964 -4.768 23 HD13 LEU 2 HD13 LEU 2 -8.049 -2.934 -5.207 24 HD21 LEU 2 HD21 LEU 2 -8.862 -1.550 -7.640 25 HD22 LEU 2 HD22 LEU 2 -10.012 -1.892 -6.332 26 HD23 LEU 2 HD23 LEU 2 -9.851 -0.246 -6.997 27 HA PRO 3 HA PRO 3 -13.020 0.498 -1.611 28 HB2 PRO 3 HB2 PRO 3 -12.940 -2.524 -1.791 29 HB3 PRO 3 HB3 PRO 3 -14.368 -1.451 -1.637 30 HG2 PRO 3 HG2 PRO 3 -13.738 -2.455 -4.046 31 HG3 PRO 3 HG3 PRO 3 -14.154 -0.711 -3.905 32 HD2 PRO 3 HD2 PRO 3 -11.411 -1.992 -4.020 33 HD3 PRO 3 HD3 PRO 3 -12.044 -0.592 -4.936 34 HA PRO 4 HA PRO 4 -11.179 0.036 2.280 35 HB2 PRO 4 HB2 PRO 4 -13.477 -1.692 3.221 36 HB3 PRO 4 HB3 PRO 4 -12.720 -0.283 4.035 37 HG2 PRO 4 HG2 PRO 4 -15.020 0.062 2.677 38 HG3 PRO 4 HG3 PRO 4 -13.683 1.238 2.439 39 HD2 PRO 4 HD2 PRO 4 -14.447 -1.123 0.699 40 HD3 PRO 4 HD3 PRO 4 -14.076 0.560 0.220 41 H GLY 5 H GLY 5 -10.271 -1.270 4.008 42 HA2 GLY 5 HA2 GLY 5 -9.104 -3.181 4.793 43 HA3 GLY 5 HA3 GLY 5 -9.547 -4.067 3.325 44 H TRP 6 H TRP 6 -7.233 -1.928 4.806 45 HA TRP 6 HA TRP 6 -5.416 -1.993 2.470 46 HB2 TRP 6 HB2 TRP 6 -6.491 0.499 3.817 47 HB3 TRP 6 HB3 TRP 6 -4.985 0.475 2.929 48 HD1 TRP 6 HD1 TRP 6 -8.731 -0.121 2.158 49 HE1 TRP 6 HE1 TRP 6 -9.218 0.840 -0.176 50 HE3 TRP 6 HE3 TRP 6 -3.963 0.992 0.757 51 HZ2 TRP 6 HZ2 TRP 6 -7.775 2.535 -2.012 52 HZ3 TRP 6 HZ3 TRP 6 -3.536 2.290 -1.340 53 HH2 TRP 6 HH2 TRP 6 -5.429 3.101 -2.700 54 H GLU 7 H GLU 7 -3.236 -1.233 3.042 55 HA GLU 7 HA GLU 7 -2.572 -1.175 5.948 56 HB2 GLU 7 HB2 GLU 7 -2.134 -3.320 4.340 57 HB3 GLU 7 HB3 GLU 7 -0.619 -2.428 4.111 58 HG2 GLU 7 HG2 GLU 7 -0.242 -2.548 6.561 59 HG3 GLU 7 HG3 GLU 7 -1.777 -3.446 6.707 60 H LYS 8 H LYS 8 -0.648 -0.055 6.409 61 HA LYS 8 HA LYS 8 0.094 2.066 4.443 62 HB2 LYS 8 HB2 LYS 8 0.439 2.194 7.462 63 HB3 LYS 8 HB3 LYS 8 0.503 3.514 6.285 64 HG2 LYS 8 HG2 LYS 8 -1.962 3.074 5.811 65 HG3 LYS 8 HG3 LYS 8 -1.952 1.917 7.151 66 HD2 LYS 8 HD2 LYS 8 -1.243 3.754 8.701 67 HD3 LYS 8 HD3 LYS 8 -1.368 4.893 7.349 68 HE2 LYS 8 HE2 LYS 8 -3.793 3.920 7.066 69 HE3 LYS 8 HE3 LYS 8 -3.553 3.255 8.689 70 HZ1 LYS 8 HZ1 LYS 8 -2.976 5.698 9.259 71 HZ2 LYS 8 HZ2 LYS 8 -3.738 6.062 7.824 72 HZ3 LYS 8 HZ3 LYS 8 -4.565 5.317 9.015 73 H ARG 9 H ARG 9 2.181 2.082 3.712 74 HA ARG 9 HA ARG 9 4.234 0.379 5.082 75 HB2 ARG 9 HB2 ARG 9 3.251 0.248 2.197 76 HB3 ARG 9 HB3 ARG 9 4.689 -0.589 2.798 77 HG2 ARG 9 HG2 ARG 9 3.275 -1.894 4.378 78 HG3 ARG 9 HG3 ARG 9 1.815 -1.112 3.724 79 HD2 ARG 9 HD2 ARG 9 2.249 -1.958 1.519 80 HD3 ARG 9 HD3 ARG 9 3.808 -2.649 2.029 81 HE ARG 9 HE ARG 9 1.694 -3.697 3.689 82 HH11 ARG 9 HH11 ARG 9 2.826 -4.046 0.359 83 HH12 ARG 9 HH12 ARG 9 2.345 -5.733 0.325 84 HH21 ARG 9 HH21 ARG 9 1.113 -5.577 3.614 85 HH22 ARG 9 HH22 ARG 9 1.271 -6.639 2.190 86 H MET 10 H MET 10 6.392 0.568 3.931 87 HA MET 10 HA MET 10 6.863 3.354 2.990 88 HB2 MET 10 HB2 MET 10 8.014 2.233 5.154 89 HB3 MET 10 HB3 MET 10 9.117 1.643 3.901 90 HG2 MET 10 HG2 MET 10 9.981 3.700 4.798 91 HG3 MET 10 HG3 MET 10 9.461 3.989 3.141 92 HE1 MET 10 HE1 MET 10 9.581 6.555 3.428 93 HE2 MET 10 HE2 MET 10 8.817 7.462 4.754 94 HE3 MET 10 HE3 MET 10 10.161 6.348 5.097 95 H SER 11 H SER 11 8.352 3.677 1.338 96 HA SER 11 HA SER 11 9.209 1.435 -0.392 97 HB2 SER 11 HB2 SER 11 8.220 2.413 -2.388 98 HB3 SER 11 HB3 SER 11 6.940 2.047 -1.220 99 HG SER 11 HG SER 11 8.237 4.538 -1.393 100 HN CFD 12 HN CFD 12 11.261 2.052 0.413 101 HA CFD 12 HA CFD 12 12.735 3.790 -1.220 102 H1G1 CFD 12 H1G CFD 12 12.593 5.986 -1.342 103 HD CFD 12 HD CFD 12 12.974 7.614 1.206 104 H ARG 13 H ARG 13 10.233 6.266 -0.168 105 HA ARG 13 HA ARG 13 8.452 8.488 0.759 106 HB2 ARG 13 HB2 ARG 13 8.867 7.667 -1.891 107 HB3 ARG 13 HB3 ARG 13 7.473 6.724 -1.418 108 HG2 ARG 13 HG2 ARG 13 6.468 8.607 -2.286 109 HG3 ARG 13 HG3 ARG 13 6.477 9.014 -0.575 110 HD2 ARG 13 HD2 ARG 13 8.402 9.991 -2.732 111 HD3 ARG 13 HD3 ARG 13 7.139 10.930 -1.931 112 HE ARG 13 HE ARG 13 9.456 9.781 -0.401 113 HH11 ARG 13 HH11 ARG 13 7.743 12.728 -1.294 114 HH12 ARG 13 HH12 ARG 13 8.639 13.672 -0.134 115 HH21 ARG 13 HH21 ARG 13 10.485 10.937 0.983 116 HH22 ARG 13 HH22 ARG 13 10.218 12.671 1.157 117 H VAL 14 H VAL 14 6.234 7.877 1.103 118 HA VAL 14 HA VAL 14 5.904 5.291 2.529 119 HB VAL 14 HB VAL 14 5.512 7.362 3.828 120 HG11 VAL 14 HG11 VAL 14 3.148 7.869 1.971 121 HG12 VAL 14 HG12 VAL 14 3.557 8.766 3.445 122 HG13 VAL 14 HG13 VAL 14 4.631 8.846 2.046 123 HG21 VAL 14 HG21 VAL 14 3.347 6.750 4.788 124 HG22 VAL 14 HG22 VAL 14 2.994 5.709 3.397 125 HG23 VAL 14 HG23 VAL 14 4.349 5.331 4.487 126 H TYR 15 H TYR 15 4.092 3.942 1.956 127 HA TYR 15 HA TYR 15 2.436 4.811 -0.299 128 HB2 TYR 15 HB2 TYR 15 3.002 3.404 -1.847 129 HB3 TYR 15 HB3 TYR 15 4.587 3.426 -1.094 130 HD1 TYR 15 HD1 TYR 15 1.575 1.563 -1.879 131 HD2 TYR 15 HD2 TYR 15 5.343 1.290 0.169 132 HE1 TYR 15 HE1 TYR 15 1.311 -0.861 -1.740 133 HE2 TYR 15 HE2 TYR 15 5.178 -1.202 0.117 134 HH TYR 15 HH TYR 15 2.467 -2.804 -1.647 135 H TYR 16 H TYR 16 0.676 3.261 -0.796 136 HA TYR 16 HA TYR 16 -0.326 1.931 1.700 137 HB2 TYR 16 HB2 TYR 16 -1.657 4.011 -0.036 138 HB3 TYR 16 HB3 TYR 16 -2.607 2.772 0.744 139 HD1 TYR 16 HD1 TYR 16 0.205 5.034 1.914 140 HD2 TYR 16 HD2 TYR 16 -3.756 3.473 2.581 141 HE1 TYR 16 HE1 TYR 16 0.041 6.346 4.010 142 HE2 TYR 16 HE2 TYR 16 -3.985 4.921 4.591 143 HH TYR 16 HH TYR 16 -3.019 6.630 5.885 144 H PHE 17 H PHE 17 -1.113 -0.103 1.412 145 HA PHE 17 HA PHE 17 -1.620 -0.991 -1.405 146 HB2 PHE 17 HB2 PHE 17 -0.122 -2.515 -1.209 147 HB3 PHE 17 HB3 PHE 17 0.300 -1.958 0.405 148 HD1 PHE 17 HD1 PHE 17 -1.524 -2.869 2.217 149 HD2 PHE 17 HD2 PHE 17 -0.300 -4.841 -1.374 150 HE1 PHE 17 HE1 PHE 17 -2.026 -5.070 3.278 151 HE2 PHE 17 HE2 PHE 17 -0.882 -7.037 -0.374 152 HZ PHE 17 HZ PHE 17 -1.784 -7.156 1.940 153 H ASN 18 H ASN 18 -3.304 -2.285 -1.874 154 HA ASN 18 HA ASN 18 -5.551 -2.116 0.012 155 HB2 ASN 18 HB2 ASN 18 -5.671 -1.897 -2.544 156 HB3 ASN 18 HB3 ASN 18 -5.497 -3.644 -2.612 157 HD21 ASN 18 HD21 ASN 18 -7.504 -1.045 -1.107 158 HD22 ASN 18 HD22 ASN 18 -8.952 -2.003 -0.978 159 H HIS 19 H HIS 19 -6.075 -3.644 1.514 160 HA HIS 19 HA HIS 19 -4.182 -5.847 1.802 161 HB2 HIS 19 HB2 HIS 19 -5.146 -4.237 3.607 162 HB3 HIS 19 HB3 HIS 19 -6.502 -5.376 3.685 163 HD1 HIS 19 HD1 HIS 19 -4.729 -8.036 3.415 164 HD2 HIS 19 HD2 HIS 19 -3.695 -4.597 5.611 165 HE1 HIS 19 HE1 HIS 19 -2.746 -8.710 4.987 166 HE2 HIS 19 HE2 HIS 19 -2.041 -6.501 6.161 167 H ILE 20 H ILE 20 -7.198 -5.570 0.316 168 HA ILE 20 HA ILE 20 -7.725 -8.501 0.397 169 HB ILE 20 HB ILE 20 -9.378 -6.272 -0.849 170 HG12 ILE 20 HG12 ILE 20 -9.326 -5.759 1.496 171 HG13 ILE 20 HG13 ILE 20 -10.895 -6.405 1.072 172 HG21 ILE 20 HG21 ILE 20 -11.210 -7.960 -0.741 173 HG22 ILE 20 HG22 ILE 20 -9.884 -8.441 -1.803 174 HG23 ILE 20 HG23 ILE 20 -10.031 -9.175 -0.195 175 HD11 ILE 20 HD11 ILE 20 -8.687 -7.947 2.515 176 HD12 ILE 20 HD12 ILE 20 -10.150 -7.265 3.240 177 HD13 ILE 20 HD13 ILE 20 -10.286 -8.600 2.083 178 H THR 21 H THR 21 -7.200 -5.817 -1.918 179 HA THR 21 HA THR 21 -7.026 -7.718 -4.148 180 HB THR 21 HB THR 21 -6.761 -4.745 -4.485 181 HG1 THR 21 HG1 THR 21 -8.436 -4.813 -3.078 182 HG21 THR 21 HG21 THR 21 -6.780 -6.131 -6.529 183 HG22 THR 21 HG22 THR 21 -8.296 -6.900 -6.005 184 HG23 THR 21 HG23 THR 21 -8.263 -5.176 -6.423 185 H ASN 22 H ASN 22 -4.718 -6.327 -2.131 186 HA ASN 22 HA ASN 22 -2.610 -5.995 -2.061 187 HB2 ASN 22 HB2 ASN 22 -1.345 -7.768 -2.540 188 HB3 ASN 22 HB3 ASN 22 -2.840 -8.494 -3.108 189 HD21 ASN 22 HD21 ASN 22 -3.236 -7.610 -5.641 190 HD22 ASN 22 HD22 ASN 22 -1.793 -7.991 -6.605 191 H ALA 23 H ALA 23 -3.988 -4.928 -4.921 192 HA ALA 23 HA ALA 23 -1.978 -3.737 -6.333 193 HB1 ALA 23 HB1 ALA 23 -3.630 -2.047 -6.992 194 HB2 ALA 23 HB2 ALA 23 -4.378 -3.658 -6.907 195 HB3 ALA 23 HB3 ALA 23 -4.636 -2.482 -5.596 196 H SER 24 H SER 24 -0.311 -2.671 -5.725 197 HA SER 24 HA SER 24 -0.224 -1.145 -3.210 198 HB2 SER 24 HB2 SER 24 1.814 -2.445 -5.067 199 HB3 SER 24 HB3 SER 24 2.314 -1.360 -3.770 200 HG SER 24 HG SER 24 0.677 -3.686 -3.453 201 H GLN 25 H GLN 25 -0.266 1.070 -3.199 202 HA GLN 25 HA GLN 25 0.550 2.557 -5.628 203 HB2 GLN 25 HB2 GLN 25 -1.727 3.503 -5.868 204 HB3 GLN 25 HB3 GLN 25 -1.686 1.763 -6.095 205 HG2 GLN 25 HG2 GLN 25 -2.378 1.718 -3.499 206 HG3 GLN 25 HG3 GLN 25 -2.910 3.351 -3.856 207 HE21 GLN 25 HE21 GLN 25 -3.512 -0.130 -4.403 208 HE22 GLN 25 HE22 GLN 25 -5.030 0.156 -5.253 209 H PHE 26 H PHE 26 0.264 4.924 -5.419 210 HA PHE 26 HA PHE 26 0.913 5.879 -2.689 211 HB2 PHE 26 HB2 PHE 26 1.043 7.204 -5.408 212 HB3 PHE 26 HB3 PHE 26 1.484 7.985 -3.890 213 HD1 PHE 26 HD1 PHE 26 3.196 6.649 -2.354 214 HD2 PHE 26 HD2 PHE 26 2.808 6.119 -6.618 215 HE1 PHE 26 HE1 PHE 26 5.447 5.624 -2.430 216 HE2 PHE 26 HE2 PHE 26 5.075 5.110 -6.691 217 HZ PHE 26 HZ PHE 26 6.395 4.853 -4.596 218 H GLU 27 H GLU 27 -1.837 5.745 -4.763 219 HA GLU 27 HA GLU 27 -3.295 7.937 -3.498 220 HB2 GLU 27 HB2 GLU 27 -4.264 5.519 -5.079 221 HB3 GLU 27 HB3 GLU 27 -5.297 6.817 -4.456 222 HG2 GLU 27 HG2 GLU 27 -3.806 8.448 -5.766 223 HG3 GLU 27 HG3 GLU 27 -3.152 7.025 -6.596 224 H ARG 28 H ARG 28 -5.008 7.698 -1.923 225 HA ARG 28 HA ARG 28 -4.664 5.336 -0.141 226 HB2 ARG 28 HB2 ARG 28 -4.805 8.180 0.829 227 HB3 ARG 28 HB3 ARG 28 -4.266 6.760 1.726 228 HG2 ARG 28 HG2 ARG 28 -2.199 6.716 0.238 229 HG3 ARG 28 HG3 ARG 28 -2.761 8.228 -0.491 230 HD2 ARG 28 HD2 ARG 28 -1.809 7.757 2.318 231 HD3 ARG 28 HD3 ARG 28 -1.178 8.885 1.121 232 HE ARG 28 HE ARG 28 -3.389 10.124 1.366 233 HH11 ARG 28 HH11 ARG 28 -2.166 8.306 4.195 234 HH12 ARG 28 HH12 ARG 28 -3.570 8.831 5.122 235 HH21 ARG 28 HH21 ARG 28 -5.150 10.620 2.847 236 HH22 ARG 28 HH22 ARG 28 -5.002 9.929 4.473 237 HA PRO 29 HA PRO 29 -9.111 6.069 0.615 238 HB2 PRO 29 HB2 PRO 29 -9.526 4.419 2.725 239 HB3 PRO 29 HB3 PRO 29 -9.068 3.756 1.130 240 HG2 PRO 29 HG2 PRO 29 -7.209 4.408 3.458 241 HG3 PRO 29 HG3 PRO 29 -7.372 2.846 2.593 242 HD2 PRO 29 HD2 PRO 29 -5.479 4.672 1.896 243 HD3 PRO 29 HD3 PRO 29 -6.336 3.717 0.641 244 H SER 30 H SER 30 -10.351 6.442 2.992 245 HA SER 30 HA SER 30 -9.336 8.907 4.077 246 HB2 SER 30 HB2 SER 30 -11.364 8.838 5.414 247 HB3 SER 30 HB3 SER 30 -11.737 8.362 3.741 248 HG SER 30 HG SER 30 -11.152 6.599 5.868 249 H GLY 31 H GLY 31 -7.197 7.916 4.662 250 HA2 GLY 31 HA2 GLY 31 -6.969 7.717 7.536 251 HA3 GLY 31 HA3 GLY 31 -6.639 6.158 6.756 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -10.238 5.353 -7.918 2 H2 LYS 1 H2 LYS 1 -9.699 4.681 -9.326 3 H3 LYS 1 H3 LYS 1 -9.348 6.261 -8.879 4 HA LYS 1 HA LYS 1 -7.401 4.808 -8.519 5 HB2 LYS 1 HB2 LYS 1 -8.819 5.895 -6.060 6 HB3 LYS 1 HB3 LYS 1 -7.156 5.327 -6.029 7 HG2 LYS 1 HG2 LYS 1 -6.317 7.076 -7.278 8 HG3 LYS 1 HG3 LYS 1 -7.792 7.298 -8.188 9 HD2 LYS 1 HD2 LYS 1 -8.766 8.117 -5.841 10 HD3 LYS 1 HD3 LYS 1 -7.060 8.449 -5.502 11 HE2 LYS 1 HE2 LYS 1 -8.578 9.365 -7.991 12 HE3 LYS 1 HE3 LYS 1 -8.471 10.351 -6.533 13 HZ1 LYS 1 HZ1 LYS 1 -6.732 10.807 -8.326 14 HZ2 LYS 1 HZ2 LYS 1 -6.117 10.554 -6.804 15 HZ3 LYS 1 HZ3 LYS 1 -5.975 9.399 -7.827 16 H LEU 2 H LEU 2 -6.644 3.200 -6.545 17 HA LEU 2 HA LEU 2 -7.928 0.769 -7.382 18 HB2 LEU 2 HB2 LEU 2 -5.549 1.571 -5.754 19 HB3 LEU 2 HB3 LEU 2 -6.102 -0.068 -5.590 20 HG LEU 2 HG LEU 2 -5.761 -0.548 -7.911 21 HD11 LEU 2 HD11 LEU 2 -4.816 1.080 -9.531 22 HD12 LEU 2 HD12 LEU 2 -6.464 1.495 -9.063 23 HD13 LEU 2 HD13 LEU 2 -5.087 2.389 -8.365 24 HD21 LEU 2 HD21 LEU 2 -3.370 -0.277 -8.068 25 HD22 LEU 2 HD22 LEU 2 -3.409 1.176 -7.055 26 HD23 LEU 2 HD23 LEU 2 -3.768 -0.390 -6.341 27 HA PRO 3 HA PRO 3 -10.924 -0.157 -4.552 28 HB2 PRO 3 HB2 PRO 3 -10.798 -2.871 -4.045 29 HB3 PRO 3 HB3 PRO 3 -11.214 -2.158 -5.635 30 HG2 PRO 3 HG2 PRO 3 -8.487 -3.093 -4.669 31 HG3 PRO 3 HG3 PRO 3 -9.332 -3.542 -6.190 32 HD2 PRO 3 HD2 PRO 3 -7.496 -1.593 -6.185 33 HD3 PRO 3 HD3 PRO 3 -9.010 -1.368 -7.105 34 HA PRO 4 HA PRO 4 -9.904 0.083 -0.303 35 HB2 PRO 4 HB2 PRO 4 -12.223 -0.526 0.986 36 HB3 PRO 4 HB3 PRO 4 -12.060 0.887 -0.101 37 HG2 PRO 4 HG2 PRO 4 -13.136 -1.873 -0.794 38 HG3 PRO 4 HG3 PRO 4 -13.918 -0.281 -1.082 39 HD2 PRO 4 HD2 PRO 4 -12.478 -1.524 -3.016 40 HD3 PRO 4 HD3 PRO 4 -12.406 0.251 -2.816 41 H GLY 5 H GLY 5 -9.787 -0.902 1.803 42 HA2 GLY 5 HA2 GLY 5 -9.553 -2.931 3.188 43 HA3 GLY 5 HA3 GLY 5 -9.157 -3.834 1.716 44 H TRP 6 H TRP 6 -8.020 -0.695 3.098 45 HA TRP 6 HA TRP 6 -5.408 -1.136 1.981 46 HB2 TRP 6 HB2 TRP 6 -6.528 1.173 3.600 47 HB3 TRP 6 HB3 TRP 6 -4.992 1.139 2.703 48 HD1 TRP 6 HD1 TRP 6 -8.654 1.775 2.085 49 HE1 TRP 6 HE1 TRP 6 -8.997 2.214 -0.434 50 HE3 TRP 6 HE3 TRP 6 -4.028 0.535 0.446 51 HZ2 TRP 6 HZ2 TRP 6 -7.390 2.178 -2.821 52 HZ3 TRP 6 HZ3 TRP 6 -3.455 0.622 -2.004 53 HH2 TRP 6 HH2 TRP 6 -5.138 1.443 -3.619 54 H GLU 7 H GLU 7 -3.427 -0.758 2.900 55 HA GLU 7 HA GLU 7 -2.954 -0.478 5.762 56 HB2 GLU 7 HB2 GLU 7 -2.723 -2.949 4.293 57 HB3 GLU 7 HB3 GLU 7 -1.093 -2.396 4.630 58 HG2 GLU 7 HG2 GLU 7 -3.185 -2.520 6.841 59 HG3 GLU 7 HG3 GLU 7 -2.200 -3.915 6.382 60 H LYS 8 H LYS 8 -0.706 0.198 6.089 61 HA LYS 8 HA LYS 8 0.273 1.817 3.759 62 HB2 LYS 8 HB2 LYS 8 1.165 3.432 5.419 63 HB3 LYS 8 HB3 LYS 8 -0.575 3.278 5.322 64 HG2 LYS 8 HG2 LYS 8 -0.234 3.478 7.582 65 HG3 LYS 8 HG3 LYS 8 -0.477 1.764 7.391 66 HD2 LYS 8 HD2 LYS 8 2.352 2.137 7.169 67 HD3 LYS 8 HD3 LYS 8 1.836 3.287 8.382 68 HE2 LYS 8 HE2 LYS 8 2.451 1.267 9.498 69 HE3 LYS 8 HE3 LYS 8 0.694 1.435 9.638 70 HZ1 LYS 8 HZ1 LYS 8 0.372 -0.281 8.054 71 HZ2 LYS 8 HZ2 LYS 8 1.884 -0.147 7.452 72 HZ3 LYS 8 HZ3 LYS 8 1.619 -0.838 8.948 73 H ARG 9 H ARG 9 2.303 1.820 3.056 74 HA ARG 9 HA ARG 9 4.275 -0.060 4.302 75 HB2 ARG 9 HB2 ARG 9 3.198 -0.032 1.455 76 HB3 ARG 9 HB3 ARG 9 4.639 -0.931 1.938 77 HG2 ARG 9 HG2 ARG 9 1.862 -1.430 3.098 78 HG3 ARG 9 HG3 ARG 9 2.539 -2.304 1.726 79 HD2 ARG 9 HD2 ARG 9 4.311 -3.244 3.031 80 HD3 ARG 9 HD3 ARG 9 3.960 -2.214 4.415 81 HE ARG 9 HE ARG 9 2.505 -4.638 3.587 82 HH11 ARG 9 HH11 ARG 9 2.237 -1.719 5.633 83 HH12 ARG 9 HH12 ARG 9 1.186 -2.622 6.742 84 HH21 ARG 9 HH21 ARG 9 1.065 -5.537 5.239 85 HH22 ARG 9 HH22 ARG 9 0.553 -4.410 6.516 86 H MET 10 H MET 10 6.431 0.070 3.336 87 HA MET 10 HA MET 10 7.176 2.879 3.058 88 HB2 MET 10 HB2 MET 10 9.356 2.180 3.639 89 HB3 MET 10 HB3 MET 10 8.205 1.313 4.671 90 HG2 MET 10 HG2 MET 10 8.418 -0.676 3.158 91 HG3 MET 10 HG3 MET 10 9.695 0.166 2.279 92 HE1 MET 10 HE1 MET 10 12.633 0.293 4.825 93 HE2 MET 10 HE2 MET 10 12.110 0.567 3.149 94 HE3 MET 10 HE3 MET 10 11.478 1.592 4.463 95 H SER 11 H SER 11 8.186 3.858 1.408 96 HA SER 11 HA SER 11 8.849 2.371 -1.088 97 HB2 SER 11 HB2 SER 11 6.741 3.426 -1.538 98 HB3 SER 11 HB3 SER 11 7.256 4.936 -0.764 99 HG SER 11 HG SER 11 8.968 4.944 -2.365 100 HN CFD 12 HN CFD 12 10.702 2.727 0.842 101 HA CFD 12 HA CFD 12 12.726 4.307 -0.408 102 H1G1 CFD 12 H1G CFD 12 12.708 6.512 -0.432 103 HD CFD 12 HD CFD 12 12.612 8.040 2.186 104 H ARG 13 H ARG 13 10.162 6.677 0.459 105 HA ARG 13 HA ARG 13 8.145 8.712 1.329 106 HB2 ARG 13 HB2 ARG 13 8.456 7.238 -1.307 107 HB3 ARG 13 HB3 ARG 13 6.856 7.718 -0.749 108 HG2 ARG 13 HG2 ARG 13 7.374 9.511 -2.058 109 HG3 ARG 13 HG3 ARG 13 7.832 10.099 -0.463 110 HD2 ARG 13 HD2 ARG 13 10.253 9.393 -1.083 111 HD3 ARG 13 HD3 ARG 13 9.640 9.087 -2.696 112 HE ARG 13 HE ARG 13 9.458 11.364 -3.076 113 HH11 ARG 13 HH11 ARG 13 10.221 10.974 0.403 114 HH12 ARG 13 HH12 ARG 13 10.479 12.679 0.579 115 HH21 ARG 13 HH21 ARG 13 9.831 13.522 -2.700 116 HH22 ARG 13 HH22 ARG 13 10.277 14.070 -1.113 117 H VAL 14 H VAL 14 5.968 7.840 1.515 118 HA VAL 14 HA VAL 14 5.789 5.000 2.410 119 HB VAL 14 HB VAL 14 3.953 7.299 3.184 120 HG11 VAL 14 HG11 VAL 14 3.264 5.799 5.018 121 HG12 VAL 14 HG12 VAL 14 2.952 5.050 3.453 122 HG13 VAL 14 HG13 VAL 14 4.359 4.538 4.418 123 HG21 VAL 14 HG21 VAL 14 5.093 7.291 5.397 124 HG22 VAL 14 HG22 VAL 14 6.329 6.193 4.736 125 HG23 VAL 14 HG23 VAL 14 6.142 7.841 4.087 126 H TYR 15 H TYR 15 3.971 3.810 1.603 127 HA TYR 15 HA TYR 15 2.205 5.154 -0.343 128 HB2 TYR 15 HB2 TYR 15 2.598 3.786 -2.119 129 HB3 TYR 15 HB3 TYR 15 4.214 4.024 -1.515 130 HD1 TYR 15 HD1 TYR 15 5.370 2.106 -0.266 131 HD2 TYR 15 HD2 TYR 15 1.542 1.645 -2.189 132 HE1 TYR 15 HE1 TYR 15 5.700 -0.362 -0.343 133 HE2 TYR 15 HE2 TYR 15 1.813 -0.814 -2.131 134 HH TYR 15 HH TYR 15 3.197 -2.553 -1.664 135 H TYR 16 H TYR 16 0.412 3.589 -1.059 136 HA TYR 16 HA TYR 16 -0.666 2.255 1.371 137 HB2 TYR 16 HB2 TYR 16 -1.612 4.513 -0.031 138 HB3 TYR 16 HB3 TYR 16 -2.567 3.190 -0.660 139 HD1 TYR 16 HD1 TYR 16 -1.341 3.575 2.901 140 HD2 TYR 16 HD2 TYR 16 -4.659 3.834 0.160 141 HE1 TYR 16 HE1 TYR 16 -2.905 3.819 4.818 142 HE2 TYR 16 HE2 TYR 16 -6.216 4.136 2.075 143 HH TYR 16 HH TYR 16 -6.417 4.242 4.363 144 H PHE 17 H PHE 17 -1.242 0.219 1.236 145 HA PHE 17 HA PHE 17 -1.535 -1.068 -1.436 146 HB2 PHE 17 HB2 PHE 17 0.313 -2.153 -1.117 147 HB3 PHE 17 HB3 PHE 17 0.570 -1.402 0.459 148 HD1 PHE 17 HD1 PHE 17 -0.523 -2.527 2.491 149 HD2 PHE 17 HD2 PHE 17 -0.082 -4.476 -1.319 150 HE1 PHE 17 HE1 PHE 17 -0.814 -4.742 3.596 151 HE2 PHE 17 HE2 PHE 17 -0.339 -6.688 -0.216 152 HZ PHE 17 HZ PHE 17 -0.700 -6.827 2.236 153 H ASN 18 H ASN 18 -2.944 -2.681 -1.632 154 HA ASN 18 HA ASN 18 -5.052 -2.758 0.404 155 HB2 ASN 18 HB2 ASN 18 -5.508 -2.425 -1.995 156 HB3 ASN 18 HB3 ASN 18 -4.909 -4.055 -2.332 157 HD21 ASN 18 HD21 ASN 18 -7.778 -2.409 -2.012 158 HD22 ASN 18 HD22 ASN 18 -8.724 -3.689 -1.280 159 H HIS 19 H HIS 19 -5.132 -4.194 2.007 160 HA HIS 19 HA HIS 19 -3.263 -6.449 2.074 161 HB2 HIS 19 HB2 HIS 19 -3.816 -6.671 4.374 162 HB3 HIS 19 HB3 HIS 19 -3.584 -4.972 4.031 163 HD1 HIS 19 HD1 HIS 19 -5.543 -3.416 4.989 164 HD2 HIS 19 HD2 HIS 19 -6.520 -7.511 4.496 165 HE1 HIS 19 HE1 HIS 19 -7.853 -3.737 6.010 166 HE2 HIS 19 HE2 HIS 19 -8.468 -6.228 5.689 167 H ILE 20 H ILE 20 -6.221 -6.210 0.652 168 HA ILE 20 HA ILE 20 -6.960 -9.056 1.181 169 HB ILE 20 HB ILE 20 -8.605 -6.878 -0.171 170 HG12 ILE 20 HG12 ILE 20 -8.709 -7.814 2.728 171 HG13 ILE 20 HG13 ILE 20 -8.191 -6.222 2.158 172 HG21 ILE 20 HG21 ILE 20 -9.391 -9.612 0.919 173 HG22 ILE 20 HG22 ILE 20 -10.469 -8.445 0.117 174 HG23 ILE 20 HG23 ILE 20 -9.179 -9.203 -0.797 175 HD11 ILE 20 HD11 ILE 20 -11.008 -7.338 2.038 176 HD12 ILE 20 HD12 ILE 20 -10.402 -5.979 2.994 177 HD13 ILE 20 HD13 ILE 20 -10.490 -5.838 1.227 178 H THR 21 H THR 21 -6.424 -6.682 -1.436 179 HA THR 21 HA THR 21 -5.987 -8.948 -3.339 180 HB THR 21 HB THR 21 -8.174 -7.843 -3.595 181 HG1 THR 21 HG1 THR 21 -6.203 -7.661 -5.592 182 HG21 THR 21 HG21 THR 21 -7.921 -5.576 -3.128 183 HG22 THR 21 HG22 THR 21 -6.560 -5.368 -4.261 184 HG23 THR 21 HG23 THR 21 -8.205 -5.665 -4.861 185 H ASN 22 H ASN 22 -4.023 -6.918 -1.883 186 HA ASN 22 HA ASN 22 -2.048 -6.085 -2.179 187 HB2 ASN 22 HB2 ASN 22 -0.561 -7.475 -3.016 188 HB3 ASN 22 HB3 ASN 22 -1.937 -8.521 -3.332 189 HD21 ASN 22 HD21 ASN 22 -3.024 -7.624 -5.693 190 HD22 ASN 22 HD22 ASN 22 -1.752 -7.681 -6.931 191 H ALA 23 H ALA 23 -4.195 -5.229 -4.591 192 HA ALA 23 HA ALA 23 -3.003 -3.497 -6.297 193 HB1 ALA 23 HB1 ALA 23 -5.080 -2.212 -6.186 194 HB2 ALA 23 HB2 ALA 23 -5.446 -3.926 -6.027 195 HB3 ALA 23 HB3 ALA 23 -5.456 -2.880 -4.587 196 H SER 24 H SER 24 -1.609 -1.835 -6.175 197 HA SER 24 HA SER 24 -1.109 -0.507 -3.542 198 HB2 SER 24 HB2 SER 24 0.798 -1.746 -5.558 199 HB3 SER 24 HB3 SER 24 1.310 -0.693 -4.236 200 HG SER 24 HG SER 24 -0.110 -3.193 -3.951 201 H GLN 25 H GLN 25 -0.786 1.652 -3.528 202 HA GLN 25 HA GLN 25 0.076 3.150 -5.885 203 HB2 GLN 25 HB2 GLN 25 -1.913 4.645 -5.918 204 HB3 GLN 25 HB3 GLN 25 -2.296 3.005 -6.414 205 HG2 GLN 25 HG2 GLN 25 -3.219 2.530 -4.155 206 HG3 GLN 25 HG3 GLN 25 -2.788 4.145 -3.634 207 HE21 GLN 25 HE21 GLN 25 -4.876 4.760 -3.100 208 HE22 GLN 25 HE22 GLN 25 -6.185 4.873 -4.295 209 H PHE 26 H PHE 26 0.305 5.566 -5.300 210 HA PHE 26 HA PHE 26 1.207 5.891 -2.518 211 HB2 PHE 26 HB2 PHE 26 1.135 7.693 -4.949 212 HB3 PHE 26 HB3 PHE 26 1.666 8.249 -3.366 213 HD1 PHE 26 HD1 PHE 26 3.607 7.165 -2.200 214 HD2 PHE 26 HD2 PHE 26 2.668 6.355 -6.329 215 HE1 PHE 26 HE1 PHE 26 5.873 6.213 -2.532 216 HE2 PHE 26 HE2 PHE 26 4.936 5.402 -6.654 217 HZ PHE 26 HZ PHE 26 6.540 5.323 -4.752 218 H GLU 27 H GLU 27 -1.766 6.296 -4.113 219 HA GLU 27 HA GLU 27 -2.697 8.532 -2.456 220 HB2 GLU 27 HB2 GLU 27 -3.825 7.009 -4.836 221 HB3 GLU 27 HB3 GLU 27 -4.740 8.224 -3.966 222 HG2 GLU 27 HG2 GLU 27 -2.749 9.821 -4.397 223 HG3 GLU 27 HG3 GLU 27 -2.208 8.619 -5.585 224 H ARG 28 H ARG 28 -4.691 8.621 -1.395 225 HA ARG 28 HA ARG 28 -5.725 6.077 -0.301 226 HB2 ARG 28 HB2 ARG 28 -6.545 7.206 1.539 227 HB3 ARG 28 HB3 ARG 28 -4.953 7.858 1.268 228 HG2 ARG 28 HG2 ARG 28 -7.611 9.242 0.719 229 HG3 ARG 28 HG3 ARG 28 -6.511 9.530 2.054 230 HD2 ARG 28 HD2 ARG 28 -6.161 11.348 0.622 231 HD3 ARG 28 HD3 ARG 28 -4.767 10.286 0.329 232 HE ARG 28 HE ARG 28 -6.947 9.626 -1.410 233 HH11 ARG 28 HH11 ARG 28 -4.464 12.156 -1.361 234 HH12 ARG 28 HH12 ARG 28 -4.385 12.112 -3.113 235 HH21 ARG 28 HH21 ARG 28 -6.678 9.546 -3.384 236 HH22 ARG 28 HH22 ARG 28 -5.606 10.627 -4.284 237 HA PRO 29 HA PRO 29 -9.111 5.984 -3.032 238 HB2 PRO 29 HB2 PRO 29 -11.291 5.204 -1.513 239 HB3 PRO 29 HB3 PRO 29 -9.951 4.125 -2.006 240 HG2 PRO 29 HG2 PRO 29 -10.229 5.661 0.606 241 HG3 PRO 29 HG3 PRO 29 -9.891 3.917 0.390 242 HD2 PRO 29 HD2 PRO 29 -7.858 5.598 0.807 243 HD3 PRO 29 HD3 PRO 29 -7.691 4.397 -0.515 244 H SER 30 H SER 30 -9.596 7.867 -3.883 245 HA SER 30 HA SER 30 -11.612 9.715 -2.768 246 HB2 SER 30 HB2 SER 30 -9.524 10.394 -1.711 247 HB3 SER 30 HB3 SER 30 -8.679 10.240 -3.264 248 HG SER 30 HG SER 30 -10.124 11.884 -4.038 249 H GLY 31 H GLY 31 -11.966 8.075 -4.947 250 HA2 GLY 31 HA2 GLY 31 -12.921 8.637 -7.145 251 HA3 GLY 31 HA3 GLY 31 -11.547 9.729 -7.415 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -14.170 8.188 3.487 2 H2 LYS 1 H2 LYS 1 -15.065 9.438 4.024 3 H3 LYS 1 H3 LYS 1 -14.419 8.383 5.128 4 HA LYS 1 HA LYS 1 -12.983 10.143 3.279 5 HB2 LYS 1 HB2 LYS 1 -13.178 10.437 6.290 6 HB3 LYS 1 HB3 LYS 1 -12.082 11.333 5.244 7 HG2 LYS 1 HG2 LYS 1 -15.065 11.575 5.478 8 HG3 LYS 1 HG3 LYS 1 -13.832 12.823 5.539 9 HD2 LYS 1 HD2 LYS 1 -14.998 11.428 3.120 10 HD3 LYS 1 HD3 LYS 1 -15.092 13.129 3.520 11 HE2 LYS 1 HE2 LYS 1 -12.948 13.606 2.725 12 HE3 LYS 1 HE3 LYS 1 -12.347 11.984 3.075 13 HZ1 LYS 1 HZ1 LYS 1 -13.846 11.171 1.276 14 HZ2 LYS 1 HZ2 LYS 1 -14.034 12.740 0.773 15 HZ3 LYS 1 HZ3 LYS 1 -12.551 11.962 0.777 16 H LEU 2 H LEU 2 -12.612 7.294 5.291 17 HA LEU 2 HA LEU 2 -10.123 6.819 3.868 18 HB2 LEU 2 HB2 LEU 2 -9.531 7.927 6.074 19 HB3 LEU 2 HB3 LEU 2 -10.219 6.538 6.903 20 HG LEU 2 HG LEU 2 -7.913 6.426 4.899 21 HD11 LEU 2 HD11 LEU 2 -7.850 6.347 7.941 22 HD12 LEU 2 HD12 LEU 2 -6.455 6.163 6.856 23 HD13 LEU 2 HD13 LEU 2 -7.318 7.708 6.926 24 HD21 LEU 2 HD21 LEU 2 -9.054 4.316 6.777 25 HD22 LEU 2 HD22 LEU 2 -8.895 4.232 5.006 26 HD23 LEU 2 HD23 LEU 2 -7.460 4.193 6.010 27 HA PRO 3 HA PRO 3 -13.010 3.364 3.952 28 HB2 PRO 3 HB2 PRO 3 -12.238 1.976 1.741 29 HB3 PRO 3 HB3 PRO 3 -13.063 3.566 1.651 30 HG2 PRO 3 HG2 PRO 3 -10.084 3.003 1.520 31 HG3 PRO 3 HG3 PRO 3 -11.069 4.007 0.405 32 HD2 PRO 3 HD2 PRO 3 -9.637 5.086 2.479 33 HD3 PRO 3 HD3 PRO 3 -11.215 5.763 1.970 34 HA PRO 4 HA PRO 4 -10.687 0.162 6.048 35 HB2 PRO 4 HB2 PRO 4 -12.467 -1.907 6.084 36 HB3 PRO 4 HB3 PRO 4 -12.731 -0.398 7.010 37 HG2 PRO 4 HG2 PRO 4 -13.828 -1.104 4.263 38 HG3 PRO 4 HG3 PRO 4 -14.738 -0.513 5.694 39 HD2 PRO 4 HD2 PRO 4 -13.897 1.175 3.732 40 HD3 PRO 4 HD3 PRO 4 -13.876 1.675 5.452 41 H GLY 5 H GLY 5 -9.889 -2.109 5.742 42 HA2 GLY 5 HA2 GLY 5 -9.159 -3.915 4.485 43 HA3 GLY 5 HA3 GLY 5 -10.001 -3.285 3.069 44 H TRP 6 H TRP 6 -7.795 -1.054 4.600 45 HA TRP 6 HA TRP 6 -5.665 -1.677 2.600 46 HB2 TRP 6 HB2 TRP 6 -6.720 1.016 3.487 47 HB3 TRP 6 HB3 TRP 6 -5.218 0.763 2.604 48 HD1 TRP 6 HD1 TRP 6 -9.000 0.270 2.039 49 HE1 TRP 6 HE1 TRP 6 -9.489 0.620 -0.446 50 HE3 TRP 6 HE3 TRP 6 -4.217 0.830 0.371 51 HZ2 TRP 6 HZ2 TRP 6 -7.976 1.439 -2.816 52 HZ3 TRP 6 HZ3 TRP 6 -3.749 1.314 -2.021 53 HH2 TRP 6 HH2 TRP 6 -5.632 1.616 -3.619 54 H GLU 7 H GLU 7 -3.539 -0.952 3.120 55 HA GLU 7 HA GLU 7 -2.847 -0.552 5.975 56 HB2 GLU 7 HB2 GLU 7 -2.894 -3.039 4.706 57 HB3 GLU 7 HB3 GLU 7 -1.227 -2.541 4.485 58 HG2 GLU 7 HG2 GLU 7 -2.586 -2.540 7.208 59 HG3 GLU 7 HG3 GLU 7 -1.747 -3.944 6.541 60 H LYS 8 H LYS 8 -0.558 0.096 6.237 61 HA LYS 8 HA LYS 8 0.343 1.788 3.940 62 HB2 LYS 8 HB2 LYS 8 1.486 3.210 5.583 63 HB3 LYS 8 HB3 LYS 8 -0.245 3.120 5.802 64 HG2 LYS 8 HG2 LYS 8 0.492 3.061 7.962 65 HG3 LYS 8 HG3 LYS 8 0.183 1.376 7.643 66 HD2 LYS 8 HD2 LYS 8 2.925 1.713 6.948 67 HD3 LYS 8 HD3 LYS 8 2.693 2.801 8.295 68 HE2 LYS 8 HE2 LYS 8 3.464 0.688 9.131 69 HE3 LYS 8 HE3 LYS 8 1.793 0.918 9.670 70 HZ1 LYS 8 HZ1 LYS 8 2.374 -1.361 8.699 71 HZ2 LYS 8 HZ2 LYS 8 1.041 -0.659 8.057 72 HZ3 LYS 8 HZ3 LYS 8 2.398 -0.621 7.210 73 H ARG 9 H ARG 9 2.411 1.848 3.200 74 HA ARG 9 HA ARG 9 4.398 -0.112 4.231 75 HB2 ARG 9 HB2 ARG 9 3.307 0.005 1.390 76 HB3 ARG 9 HB3 ARG 9 4.651 -1.020 1.910 77 HG2 ARG 9 HG2 ARG 9 1.754 -1.277 2.814 78 HG3 ARG 9 HG3 ARG 9 2.555 -2.284 1.621 79 HD2 ARG 9 HD2 ARG 9 3.893 -3.388 3.203 80 HD3 ARG 9 HD3 ARG 9 3.780 -2.087 4.379 81 HE ARG 9 HE ARG 9 1.814 -2.913 5.238 82 HH11 ARG 9 HH11 ARG 9 2.225 -4.508 2.124 83 HH12 ARG 9 HH12 ARG 9 0.890 -5.583 2.426 84 HH21 ARG 9 HH21 ARG 9 0.424 -4.299 5.653 85 HH22 ARG 9 HH22 ARG 9 -0.030 -5.631 4.552 86 H MET 10 H MET 10 6.484 0.051 2.981 87 HA MET 10 HA MET 10 7.082 2.923 2.417 88 HB2 MET 10 HB2 MET 10 8.541 0.867 4.103 89 HB3 MET 10 HB3 MET 10 9.325 2.320 3.478 90 HG2 MET 10 HG2 MET 10 8.668 2.890 5.649 91 HG3 MET 10 HG3 MET 10 7.527 3.702 4.583 92 HE1 MET 10 HE1 MET 10 5.328 3.111 7.719 93 HE2 MET 10 HE2 MET 10 7.031 3.610 7.620 94 HE3 MET 10 HE3 MET 10 5.845 4.263 6.465 95 H SER 11 H SER 11 8.221 3.407 0.722 96 HA SER 11 HA SER 11 9.411 1.296 -1.024 97 HB2 SER 11 HB2 SER 11 7.475 2.276 -2.085 98 HB3 SER 11 HB3 SER 11 8.013 3.917 -1.669 99 HG SER 11 HG SER 11 9.920 3.414 -2.913 100 HN CFD 12 HN CFD 12 10.878 2.174 1.097 101 HA CFD 12 HA CFD 12 13.051 3.741 -0.110 102 H1G1 CFD 12 H1G CFD 12 13.170 5.937 0.091 103 HD CFD 12 HD CFD 12 12.591 7.294 2.704 104 H ARG 13 H ARG 13 10.429 6.128 0.403 105 HA ARG 13 HA ARG 13 8.431 8.296 0.879 106 HB2 ARG 13 HB2 ARG 13 9.541 7.574 -1.507 107 HB3 ARG 13 HB3 ARG 13 8.149 6.504 -1.510 108 HG2 ARG 13 HG2 ARG 13 8.065 9.532 -1.106 109 HG3 ARG 13 HG3 ARG 13 7.825 8.714 -2.654 110 HD2 ARG 13 HD2 ARG 13 5.822 7.577 -1.756 111 HD3 ARG 13 HD3 ARG 13 6.043 8.425 -0.210 112 HE ARG 13 HE ARG 13 5.979 10.346 -2.270 113 HH11 ARG 13 HH11 ARG 13 3.649 8.137 -0.691 114 HH12 ARG 13 HH12 ARG 13 2.323 9.277 -1.006 115 HH21 ARG 13 HH21 ARG 13 4.252 11.682 -2.558 116 HH22 ARG 13 HH22 ARG 13 2.657 11.208 -2.052 117 H VAL 14 H VAL 14 6.478 7.803 1.690 118 HA VAL 14 HA VAL 14 5.806 5.033 2.407 119 HB VAL 14 HB VAL 14 5.458 6.903 3.984 120 HG11 VAL 14 HG11 VAL 14 3.141 7.745 2.187 121 HG12 VAL 14 HG12 VAL 14 3.565 8.413 3.772 122 HG13 VAL 14 HG13 VAL 14 4.653 8.653 2.400 123 HG21 VAL 14 HG21 VAL 14 4.225 4.789 4.234 124 HG22 VAL 14 HG22 VAL 14 3.292 6.176 4.811 125 HG23 VAL 14 HG23 VAL 14 2.893 5.438 3.250 126 H TYR 15 H TYR 15 4.134 3.832 1.609 127 HA TYR 15 HA TYR 15 2.387 4.963 -0.456 128 HB2 TYR 15 HB2 TYR 15 2.688 3.329 -2.063 129 HB3 TYR 15 HB3 TYR 15 4.305 3.793 -1.621 130 HD1 TYR 15 HD1 TYR 15 1.791 1.106 -1.656 131 HD2 TYR 15 HD2 TYR 15 5.783 2.197 -0.459 132 HE1 TYR 15 HE1 TYR 15 2.413 -1.307 -1.530 133 HE2 TYR 15 HE2 TYR 15 6.421 -0.211 -0.392 134 HH TYR 15 HH TYR 15 5.720 -2.367 -0.714 135 H TYR 16 H TYR 16 0.532 3.437 -0.939 136 HA TYR 16 HA TYR 16 -0.383 2.142 1.589 137 HB2 TYR 16 HB2 TYR 16 -1.246 4.570 0.691 138 HB3 TYR 16 HB3 TYR 16 -2.348 3.524 -0.177 139 HD1 TYR 16 HD1 TYR 16 -0.872 3.871 3.287 140 HD2 TYR 16 HD2 TYR 16 -4.394 3.173 0.918 141 HE1 TYR 16 HE1 TYR 16 -2.257 3.835 5.361 142 HE2 TYR 16 HE2 TYR 16 -5.798 3.234 2.977 143 HH TYR 16 HH TYR 16 -4.361 3.592 6.224 144 H PHE 17 H PHE 17 -1.504 0.278 1.422 145 HA PHE 17 HA PHE 17 -1.823 -0.919 -1.289 146 HB2 PHE 17 HB2 PHE 17 -0.011 -2.045 -0.893 147 HB3 PHE 17 HB3 PHE 17 0.107 -1.523 0.781 148 HD1 PHE 17 HD1 PHE 17 -1.660 -2.772 2.398 149 HD2 PHE 17 HD2 PHE 17 -0.017 -4.364 -1.240 150 HE1 PHE 17 HE1 PHE 17 -2.141 -5.070 3.205 151 HE2 PHE 17 HE2 PHE 17 -0.433 -6.660 -0.417 152 HZ PHE 17 HZ PHE 17 -1.547 -7.031 1.775 153 H ASN 18 H ASN 18 -3.293 -2.447 -1.582 154 HA ASN 18 HA ASN 18 -5.591 -2.402 0.270 155 HB2 ASN 18 HB2 ASN 18 -5.821 -2.052 -2.166 156 HB3 ASN 18 HB3 ASN 18 -5.248 -3.688 -2.461 157 HD21 ASN 18 HD21 ASN 18 -7.967 -2.128 -2.757 158 HD22 ASN 18 HD22 ASN 18 -9.104 -3.292 -2.086 159 H HIS 19 H HIS 19 -5.981 -3.909 1.762 160 HA HIS 19 HA HIS 19 -4.051 -6.027 2.176 161 HB2 HIS 19 HB2 HIS 19 -5.203 -4.467 3.880 162 HB3 HIS 19 HB3 HIS 19 -6.608 -5.519 3.742 163 HD1 HIS 19 HD1 HIS 19 -4.976 -8.297 3.779 164 HD2 HIS 19 HD2 HIS 19 -4.511 -4.987 6.347 165 HE1 HIS 19 HE1 HIS 19 -3.956 -9.222 5.997 166 HE2 HIS 19 HE2 HIS 19 -3.684 -7.173 7.548 167 H ILE 20 H ILE 20 -6.908 -5.964 0.324 168 HA ILE 20 HA ILE 20 -7.108 -8.947 0.386 169 HB ILE 20 HB ILE 20 -9.124 -6.967 -0.740 170 HG12 ILE 20 HG12 ILE 20 -9.119 -8.325 1.988 171 HG13 ILE 20 HG13 ILE 20 -8.933 -6.594 1.669 172 HG21 ILE 20 HG21 ILE 20 -10.611 -8.916 -0.817 173 HG22 ILE 20 HG22 ILE 20 -9.136 -9.288 -1.698 174 HG23 ILE 20 HG23 ILE 20 -9.365 -9.934 -0.061 175 HD11 ILE 20 HD11 ILE 20 -11.175 -6.961 2.402 176 HD12 ILE 20 HD12 ILE 20 -11.227 -6.547 0.677 177 HD13 ILE 20 HD13 ILE 20 -11.445 -8.235 1.204 178 H THR 21 H THR 21 -7.355 -6.204 -1.957 179 HA THR 21 HA THR 21 -6.867 -8.055 -4.165 180 HB THR 21 HB THR 21 -7.252 -6.233 -5.646 181 HG1 THR 21 HG1 THR 21 -7.645 -4.260 -3.853 182 HG21 THR 21 HG21 THR 21 -9.289 -7.081 -4.502 183 HG22 THR 21 HG22 THR 21 -9.129 -5.806 -3.277 184 HG23 THR 21 HG23 THR 21 -9.421 -5.381 -4.980 185 H ASN 22 H ASN 22 -4.705 -6.453 -2.130 186 HA ASN 22 HA ASN 22 -2.572 -5.896 -2.135 187 HB2 ASN 22 HB2 ASN 22 -2.554 -8.052 -4.242 188 HB3 ASN 22 HB3 ASN 22 -1.073 -7.300 -3.641 189 HD21 ASN 22 HD21 ASN 22 -4.088 -8.972 -2.277 190 HD22 ASN 22 HD22 ASN 22 -3.105 -9.752 -1.055 191 H ALA 23 H ALA 23 -4.441 -4.762 -4.585 192 HA ALA 23 HA ALA 23 -2.777 -3.304 -6.274 193 HB1 ALA 23 HB1 ALA 23 -5.248 -3.337 -6.394 194 HB2 ALA 23 HB2 ALA 23 -5.341 -2.402 -4.884 195 HB3 ALA 23 HB3 ALA 23 -4.633 -1.672 -6.339 196 H SER 24 H SER 24 -1.358 -1.673 -6.018 197 HA SER 24 HA SER 24 -0.981 -0.476 -3.306 198 HB2 SER 24 HB2 SER 24 1.082 -1.820 -5.092 199 HB3 SER 24 HB3 SER 24 1.438 -0.922 -3.610 200 HG SER 24 HG SER 24 -0.186 -3.299 -3.786 201 H GLN 25 H GLN 25 -0.533 1.650 -3.292 202 HA GLN 25 HA GLN 25 0.386 3.067 -5.721 203 HB2 GLN 25 HB2 GLN 25 -1.607 4.613 -5.555 204 HB3 GLN 25 HB3 GLN 25 -1.929 3.008 -6.204 205 HG2 GLN 25 HG2 GLN 25 -2.886 2.280 -4.047 206 HG3 GLN 25 HG3 GLN 25 -2.530 3.853 -3.334 207 HE21 GLN 25 HE21 GLN 25 -3.954 5.619 -3.820 208 HE22 GLN 25 HE22 GLN 25 -5.409 5.365 -4.818 209 H PHE 26 H PHE 26 1.080 5.268 -5.290 210 HA PHE 26 HA PHE 26 2.398 5.416 -2.770 211 HB2 PHE 26 HB2 PHE 26 2.091 7.408 -5.025 212 HB3 PHE 26 HB3 PHE 26 2.995 7.770 -3.563 213 HD1 PHE 26 HD1 PHE 26 4.696 5.861 -2.775 214 HD2 PHE 26 HD2 PHE 26 3.382 6.506 -6.832 215 HE1 PHE 26 HE1 PHE 26 6.688 4.647 -3.614 216 HE2 PHE 26 HE2 PHE 26 5.393 5.312 -7.665 217 HZ PHE 26 HZ PHE 26 7.045 4.375 -6.058 218 H GLU 27 H GLU 27 -0.561 7.137 -3.846 219 HA GLU 27 HA GLU 27 -0.829 8.216 -1.084 220 HB2 GLU 27 HB2 GLU 27 -2.260 9.022 -3.613 221 HB3 GLU 27 HB3 GLU 27 -2.297 9.874 -2.060 222 HG2 GLU 27 HG2 GLU 27 0.010 9.665 -4.047 223 HG3 GLU 27 HG3 GLU 27 -0.977 11.072 -3.709 224 H ARG 28 H ARG 28 -2.755 7.865 0.048 225 HA ARG 28 HA ARG 28 -4.058 5.363 -0.491 226 HB2 ARG 28 HB2 ARG 28 -5.242 5.746 1.556 227 HB3 ARG 28 HB3 ARG 28 -3.585 6.275 1.791 228 HG2 ARG 28 HG2 ARG 28 -4.262 8.614 1.718 229 HG3 ARG 28 HG3 ARG 28 -5.895 8.183 1.169 230 HD2 ARG 28 HD2 ARG 28 -6.199 6.838 3.279 231 HD3 ARG 28 HD3 ARG 28 -4.651 7.460 3.845 232 HE ARG 28 HE ARG 28 -5.649 9.472 4.357 233 HH11 ARG 28 HH11 ARG 28 -8.014 7.981 2.060 234 HH12 ARG 28 HH12 ARG 28 -9.313 8.766 2.939 235 HH21 ARG 28 HH21 ARG 28 -7.519 10.536 5.140 236 HH22 ARG 28 HH22 ARG 28 -9.066 10.106 4.409 237 HA PRO 29 HA PRO 29 -7.807 6.541 -2.719 238 HB2 PRO 29 HB2 PRO 29 -9.801 5.264 -1.321 239 HB3 PRO 29 HB3 PRO 29 -8.691 4.429 -2.454 240 HG2 PRO 29 HG2 PRO 29 -8.356 4.729 0.561 241 HG3 PRO 29 HG3 PRO 29 -8.359 3.225 -0.399 242 HD2 PRO 29 HD2 PRO 29 -6.043 4.343 0.214 243 HD3 PRO 29 HD3 PRO 29 -6.294 3.848 -1.485 244 H SER 30 H SER 30 -9.105 8.386 -2.508 245 HA SER 30 HA SER 30 -8.905 9.915 -0.061 246 HB2 SER 30 HB2 SER 30 -9.681 11.723 -1.553 247 HB3 SER 30 HB3 SER 30 -8.343 10.784 -2.266 248 HG SER 30 HG SER 30 -10.100 11.154 -3.736 249 H GLY 31 H GLY 31 -11.198 7.714 -0.907 250 HA2 GLY 31 HA2 GLY 31 -13.701 8.998 -0.852 251 HA3 GLY 31 HA3 GLY 31 -13.412 7.291 -0.513 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -10.427 4.363 -2.776 2 H2 LYS 1 H2 LYS 1 -10.628 6.017 -2.691 3 H3 LYS 1 H3 LYS 1 -11.722 5.112 -3.506 4 HA LYS 1 HA LYS 1 -12.276 5.986 -1.227 5 HB2 LYS 1 HB2 LYS 1 -12.777 3.204 -2.258 6 HB3 LYS 1 HB3 LYS 1 -13.306 3.594 -0.624 7 HG2 LYS 1 HG2 LYS 1 -13.992 5.377 -2.984 8 HG3 LYS 1 HG3 LYS 1 -15.003 4.007 -2.515 9 HD2 LYS 1 HD2 LYS 1 -15.496 4.915 -0.369 10 HD3 LYS 1 HD3 LYS 1 -14.253 6.153 -0.484 11 HE2 LYS 1 HE2 LYS 1 -16.768 6.041 -2.207 12 HE3 LYS 1 HE3 LYS 1 -16.536 7.037 -0.763 13 HZ1 LYS 1 HZ1 LYS 1 -15.112 7.297 -3.329 14 HZ2 LYS 1 HZ2 LYS 1 -15.994 8.444 -2.537 15 HZ3 LYS 1 HZ3 LYS 1 -14.514 7.957 -1.968 16 H LEU 2 H LEU 2 -11.808 6.016 0.897 17 HA LEU 2 HA LEU 2 -9.411 4.626 1.847 18 HB2 LEU 2 HB2 LEU 2 -11.244 6.683 3.145 19 HB3 LEU 2 HB3 LEU 2 -9.883 5.931 3.943 20 HG LEU 2 HG LEU 2 -9.203 8.063 3.304 21 HD11 LEU 2 HD11 LEU 2 -7.504 6.298 3.014 22 HD12 LEU 2 HD12 LEU 2 -7.934 6.165 1.295 23 HD13 LEU 2 HD13 LEU 2 -7.249 7.672 1.920 24 HD21 LEU 2 HD21 LEU 2 -9.217 9.005 1.098 25 HD22 LEU 2 HD22 LEU 2 -9.900 7.538 0.398 26 HD23 LEU 2 HD23 LEU 2 -10.862 8.520 1.529 27 HA PRO 3 HA PRO 3 -12.693 2.661 4.806 28 HB2 PRO 3 HB2 PRO 3 -14.788 2.074 2.705 29 HB3 PRO 3 HB3 PRO 3 -14.987 2.254 4.478 30 HG2 PRO 3 HG2 PRO 3 -15.569 4.340 2.881 31 HG3 PRO 3 HG3 PRO 3 -14.576 4.624 4.352 32 HD2 PRO 3 HD2 PRO 3 -13.647 4.271 1.494 33 HD3 PRO 3 HD3 PRO 3 -13.160 5.506 2.691 34 HA PRO 4 HA PRO 4 -12.176 -1.428 2.195 35 HB2 PRO 4 HB2 PRO 4 -9.904 -0.371 0.501 36 HB3 PRO 4 HB3 PRO 4 -11.046 -1.710 0.147 37 HG2 PRO 4 HG2 PRO 4 -11.435 0.710 -0.989 38 HG3 PRO 4 HG3 PRO 4 -12.837 -0.156 -0.270 39 HD2 PRO 4 HD2 PRO 4 -11.142 2.031 0.964 40 HD3 PRO 4 HD3 PRO 4 -12.931 1.905 0.895 41 H GLY 5 H GLY 5 -10.449 -2.990 2.613 42 HA2 GLY 5 HA2 GLY 5 -8.969 -2.428 4.988 43 HA3 GLY 5 HA3 GLY 5 -8.906 -3.914 4.039 44 H TRP 6 H TRP 6 -7.787 -0.510 3.852 45 HA TRP 6 HA TRP 6 -5.378 -1.169 2.380 46 HB2 TRP 6 HB2 TRP 6 -6.169 1.352 3.883 47 HB3 TRP 6 HB3 TRP 6 -4.707 1.131 2.901 48 HD1 TRP 6 HD1 TRP 6 -8.352 2.001 2.483 49 HE1 TRP 6 HE1 TRP 6 -8.730 2.688 0.026 50 HE3 TRP 6 HE3 TRP 6 -3.931 0.431 0.608 51 HZ2 TRP 6 HZ2 TRP 6 -7.187 2.556 -2.479 52 HZ3 TRP 6 HZ3 TRP 6 -3.435 0.547 -1.851 53 HH2 TRP 6 HH2 TRP 6 -5.092 1.577 -3.386 54 H GLU 7 H GLU 7 -3.282 -0.940 2.990 55 HA GLU 7 HA GLU 7 -2.481 -0.841 5.838 56 HB2 GLU 7 HB2 GLU 7 -2.095 -3.014 3.811 57 HB3 GLU 7 HB3 GLU 7 -0.682 -2.559 4.761 58 HG2 GLU 7 HG2 GLU 7 -2.176 -2.899 6.844 59 HG3 GLU 7 HG3 GLU 7 -3.297 -3.725 5.733 60 H LYS 8 H LYS 8 -0.316 -0.106 6.096 61 HA LYS 8 HA LYS 8 0.563 1.703 3.908 62 HB2 LYS 8 HB2 LYS 8 1.328 1.828 6.843 63 HB3 LYS 8 HB3 LYS 8 1.568 3.064 5.591 64 HG2 LYS 8 HG2 LYS 8 -0.884 3.372 5.412 65 HG3 LYS 8 HG3 LYS 8 -1.150 2.123 6.624 66 HD2 LYS 8 HD2 LYS 8 -1.420 4.233 7.678 67 HD3 LYS 8 HD3 LYS 8 0.034 3.455 8.320 68 HE2 LYS 8 HE2 LYS 8 1.442 4.880 6.854 69 HE3 LYS 8 HE3 LYS 8 -0.018 5.625 6.176 70 HZ1 LYS 8 HZ1 LYS 8 0.785 5.760 9.022 71 HZ2 LYS 8 HZ2 LYS 8 0.947 6.984 7.936 72 HZ3 LYS 8 HZ3 LYS 8 -0.549 6.463 8.372 73 H ARG 9 H ARG 9 2.633 1.759 3.163 74 HA ARG 9 HA ARG 9 4.705 -0.140 4.158 75 HB2 ARG 9 HB2 ARG 9 3.671 0.115 1.297 76 HB3 ARG 9 HB3 ARG 9 5.125 -0.778 1.751 77 HG2 ARG 9 HG2 ARG 9 2.282 -1.487 2.606 78 HG3 ARG 9 HG3 ARG 9 3.206 -2.257 1.319 79 HD2 ARG 9 HD2 ARG 9 4.905 -3.018 2.920 80 HD3 ARG 9 HD3 ARG 9 4.061 -2.227 4.250 81 HE ARG 9 HE ARG 9 3.266 -4.690 2.829 82 HH11 ARG 9 HH11 ARG 9 2.199 -2.293 5.301 83 HH12 ARG 9 HH12 ARG 9 1.087 -3.538 5.949 84 HH21 ARG 9 HH21 ARG 9 1.693 -6.028 3.852 85 HH22 ARG 9 HH22 ARG 9 0.817 -5.320 5.226 86 H MET 10 H MET 10 6.870 0.369 3.049 87 HA MET 10 HA MET 10 7.096 3.324 2.605 88 HB2 MET 10 HB2 MET 10 8.722 1.442 4.327 89 HB3 MET 10 HB3 MET 10 9.376 2.975 3.735 90 HG2 MET 10 HG2 MET 10 8.576 3.427 5.891 91 HG3 MET 10 HG3 MET 10 7.445 4.177 4.771 92 HE1 MET 10 HE1 MET 10 5.222 3.317 7.870 93 HE2 MET 10 HE2 MET 10 6.922 3.837 7.874 94 HE3 MET 10 HE3 MET 10 5.766 4.585 6.744 95 H SER 11 H SER 11 8.669 4.100 1.203 96 HA SER 11 HA SER 11 10.583 2.298 -0.048 97 HB2 SER 11 HB2 SER 11 8.147 3.234 -1.577 98 HB3 SER 11 HB3 SER 11 9.702 2.960 -2.416 99 HG SER 11 HG SER 11 8.786 1.067 -0.551 100 HN CFD 12 HN CFD 12 12.372 3.359 -0.339 101 HA CFD 12 HA CFD 12 12.756 5.972 -1.311 102 H1G1 CFD 12 H1G CFD 12 12.258 7.941 -0.471 103 HD CFD 12 HD CFD 12 12.479 8.415 2.549 104 H ARG 13 H ARG 13 10.047 7.144 0.612 105 HA ARG 13 HA ARG 13 7.886 8.835 1.779 106 HB2 ARG 13 HB2 ARG 13 8.601 8.879 -0.727 107 HB3 ARG 13 HB3 ARG 13 7.729 7.352 -0.854 108 HG2 ARG 13 HG2 ARG 13 5.644 8.510 -0.086 109 HG3 ARG 13 HG3 ARG 13 6.580 10.001 0.138 110 HD2 ARG 13 HD2 ARG 13 7.190 9.762 -2.385 111 HD3 ARG 13 HD3 ARG 13 5.896 8.568 -2.452 112 HE ARG 13 HE ARG 13 4.271 10.276 -2.186 113 HH11 ARG 13 HH11 ARG 13 7.449 11.775 -1.773 114 HH12 ARG 13 HH12 ARG 13 6.756 13.376 -1.860 115 HH21 ARG 13 HH21 ARG 13 3.525 12.123 -2.257 116 HH22 ARG 13 HH22 ARG 13 4.488 13.619 -2.148 117 H VAL 14 H VAL 14 5.824 7.997 2.120 118 HA VAL 14 HA VAL 14 5.660 5.087 2.710 119 HB VAL 14 HB VAL 14 5.380 6.459 4.671 120 HG11 VAL 14 HG11 VAL 14 4.453 8.537 3.669 121 HG12 VAL 14 HG12 VAL 14 2.914 7.698 3.382 122 HG13 VAL 14 HG13 VAL 14 3.502 7.949 5.033 123 HG21 VAL 14 HG21 VAL 14 2.796 5.113 3.783 124 HG22 VAL 14 HG22 VAL 14 4.178 4.363 4.600 125 HG23 VAL 14 HG23 VAL 14 3.213 5.567 5.455 126 H TYR 15 H TYR 15 4.163 3.854 1.765 127 HA TYR 15 HA TYR 15 2.318 5.040 -0.236 128 HB2 TYR 15 HB2 TYR 15 2.955 3.675 -1.930 129 HB3 TYR 15 HB3 TYR 15 4.487 4.196 -1.276 130 HD1 TYR 15 HD1 TYR 15 2.100 1.392 -1.709 131 HD2 TYR 15 HD2 TYR 15 6.074 2.513 -0.448 132 HE1 TYR 15 HE1 TYR 15 2.790 -0.994 -1.770 133 HE2 TYR 15 HE2 TYR 15 6.760 0.126 -0.546 134 HH TYR 15 HH TYR 15 6.133 -2.010 -1.052 135 H TYR 16 H TYR 16 0.703 3.361 -1.057 136 HA TYR 16 HA TYR 16 -0.373 1.962 1.373 137 HB2 TYR 16 HB2 TYR 16 -1.595 3.882 -0.582 138 HB3 TYR 16 HB3 TYR 16 -2.577 2.559 -0.002 139 HD1 TYR 16 HD1 TYR 16 -0.008 4.451 2.018 140 HD2 TYR 16 HD2 TYR 16 -4.184 3.636 1.313 141 HE1 TYR 16 HE1 TYR 16 -0.576 5.607 4.119 142 HE2 TYR 16 HE2 TYR 16 -4.768 4.858 3.385 143 HH TYR 16 HH TYR 16 -3.939 5.974 5.238 144 H PHE 17 H PHE 17 -0.993 -0.079 1.236 145 HA PHE 17 HA PHE 17 -1.486 -1.313 -1.420 146 HB2 PHE 17 HB2 PHE 17 0.380 -2.457 -1.160 147 HB3 PHE 17 HB3 PHE 17 0.582 -1.952 0.524 148 HD1 PHE 17 HD1 PHE 17 -0.497 -3.228 2.345 149 HD2 PHE 17 HD2 PHE 17 -0.499 -4.669 -1.708 150 HE1 PHE 17 HE1 PHE 17 -1.303 -5.446 3.144 151 HE2 PHE 17 HE2 PHE 17 -1.164 -6.925 -0.899 152 HZ PHE 17 HZ PHE 17 -1.591 -7.309 1.515 153 H ASN 18 H ASN 18 -2.936 -2.999 -1.448 154 HA ASN 18 HA ASN 18 -5.074 -2.632 0.599 155 HB2 ASN 18 HB2 ASN 18 -5.373 -2.030 -1.818 156 HB3 ASN 18 HB3 ASN 18 -5.226 -3.729 -2.225 157 HD21 ASN 18 HD21 ASN 18 -7.541 -1.611 -2.235 158 HD22 ASN 18 HD22 ASN 18 -8.847 -2.589 -1.565 159 H HIS 19 H HIS 19 -5.373 -4.180 2.117 160 HA HIS 19 HA HIS 19 -4.085 -6.774 1.915 161 HB2 HIS 19 HB2 HIS 19 -4.392 -5.371 3.983 162 HB3 HIS 19 HB3 HIS 19 -6.113 -5.754 3.949 163 HD1 HIS 19 HD1 HIS 19 -2.917 -6.943 5.329 164 HD2 HIS 19 HD2 HIS 19 -6.644 -8.588 4.202 165 HE1 HIS 19 HE1 HIS 19 -3.068 -9.267 6.454 166 HE2 HIS 19 HE2 HIS 19 -5.357 -10.255 5.760 167 H ILE 20 H ILE 20 -7.137 -5.623 0.756 168 HA ILE 20 HA ILE 20 -8.378 -8.328 0.816 169 HB ILE 20 HB ILE 20 -9.532 -5.661 -0.087 170 HG12 ILE 20 HG12 ILE 20 -9.886 -7.163 2.548 171 HG13 ILE 20 HG13 ILE 20 -9.018 -5.641 2.330 172 HG21 ILE 20 HG21 ILE 20 -10.603 -7.628 -1.162 173 HG22 ILE 20 HG22 ILE 20 -10.888 -8.343 0.438 174 HG23 ILE 20 HG23 ILE 20 -11.699 -6.838 -0.050 175 HD11 ILE 20 HD11 ILE 20 -12.011 -6.060 2.052 176 HD12 ILE 20 HD12 ILE 20 -11.141 -5.109 3.260 177 HD13 ILE 20 HD13 ILE 20 -11.162 -4.569 1.568 178 H THR 21 H THR 21 -7.341 -5.811 -1.525 179 HA THR 21 HA THR 21 -7.833 -7.729 -3.753 180 HB THR 21 HB THR 21 -7.913 -5.843 -5.208 181 HG1 THR 21 HG1 THR 21 -7.489 -3.788 -4.471 182 HG21 THR 21 HG21 THR 21 -9.743 -4.534 -4.357 183 HG22 THR 21 HG22 THR 21 -9.953 -6.204 -3.805 184 HG23 THR 21 HG23 THR 21 -9.356 -4.967 -2.678 185 H ASN 22 H ASN 22 -5.154 -6.738 -1.990 186 HA ASN 22 HA ASN 22 -3.016 -6.498 -2.262 187 HB2 ASN 22 HB2 ASN 22 -1.758 -8.230 -3.229 188 HB3 ASN 22 HB3 ASN 22 -3.243 -8.944 -2.606 189 HD21 ASN 22 HD21 ASN 22 -1.986 -7.508 -5.656 190 HD22 ASN 22 HD22 ASN 22 -2.687 -8.787 -6.678 191 H ALA 23 H ALA 23 -4.720 -4.821 -4.140 192 HA ALA 23 HA ALA 23 -2.796 -3.956 -6.141 193 HB1 ALA 23 HB1 ALA 23 -5.238 -3.578 -6.357 194 HB2 ALA 23 HB2 ALA 23 -5.198 -2.530 -4.918 195 HB3 ALA 23 HB3 ALA 23 -4.334 -2.052 -6.393 196 H SER 24 H SER 24 -1.669 -1.827 -6.068 197 HA SER 24 HA SER 24 -1.361 -0.582 -3.439 198 HB2 SER 24 HB2 SER 24 1.052 -0.671 -3.460 199 HB3 SER 24 HB3 SER 24 0.408 -2.324 -3.555 200 HG SER 24 HG SER 24 2.109 -1.947 -5.066 201 H GLN 25 H GLN 25 -0.396 1.501 -3.489 202 HA GLN 25 HA GLN 25 0.132 2.780 -6.065 203 HB2 GLN 25 HB2 GLN 25 -1.534 4.632 -5.552 204 HB3 GLN 25 HB3 GLN 25 -2.155 3.125 -6.214 205 HG2 GLN 25 HG2 GLN 25 -2.928 2.405 -3.977 206 HG3 GLN 25 HG3 GLN 25 -2.313 3.899 -3.270 207 HE21 GLN 25 HE21 GLN 25 -3.329 5.956 -4.045 208 HE22 GLN 25 HE22 GLN 25 -4.986 5.883 -4.701 209 H PHE 26 H PHE 26 1.254 4.719 -5.908 210 HA PHE 26 HA PHE 26 3.015 4.743 -3.681 211 HB2 PHE 26 HB2 PHE 26 3.218 5.590 -6.248 212 HB3 PHE 26 HB3 PHE 26 3.068 7.138 -5.438 213 HD1 PHE 26 HD1 PHE 26 4.626 6.082 -2.797 214 HD2 PHE 26 HD2 PHE 26 5.441 5.999 -7.037 215 HE1 PHE 26 HE1 PHE 26 7.028 5.815 -2.334 216 HE2 PHE 26 HE2 PHE 26 7.864 5.818 -6.554 217 HZ PHE 26 HZ PHE 26 8.665 5.712 -4.201 218 H GLU 27 H GLU 27 0.480 7.048 -4.697 219 HA GLU 27 HA GLU 27 0.445 8.227 -1.989 220 HB2 GLU 27 HB2 GLU 27 -0.897 9.037 -4.600 221 HB3 GLU 27 HB3 GLU 27 -1.270 9.785 -3.046 222 HG2 GLU 27 HG2 GLU 27 1.447 9.703 -4.393 223 HG3 GLU 27 HG3 GLU 27 0.384 11.119 -4.293 224 H ARG 28 H ARG 28 -1.266 8.143 -0.683 225 HA ARG 28 HA ARG 28 -3.094 5.930 -0.736 226 HB2 ARG 28 HB2 ARG 28 -4.102 7.181 1.188 227 HB3 ARG 28 HB3 ARG 28 -2.386 6.857 1.361 228 HG2 ARG 28 HG2 ARG 28 -2.999 9.538 0.172 229 HG3 ARG 28 HG3 ARG 28 -3.625 9.272 1.784 230 HD2 ARG 28 HD2 ARG 28 -1.556 10.280 2.113 231 HD3 ARG 28 HD3 ARG 28 -1.325 8.599 2.554 232 HE ARG 28 HE ARG 28 -0.253 10.003 0.090 233 HH11 ARG 28 HH11 ARG 28 0.024 7.045 2.064 234 HH12 ARG 28 HH12 ARG 28 1.714 6.898 1.527 235 HH21 ARG 28 HH21 ARG 28 1.710 9.606 -0.479 236 HH22 ARG 28 HH22 ARG 28 2.598 8.171 0.144 237 HA PRO 29 HA PRO 29 -6.442 7.550 -3.216 238 HB2 PRO 29 HB2 PRO 29 -8.206 6.771 -0.900 239 HB3 PRO 29 HB3 PRO 29 -8.475 6.542 -2.661 240 HG2 PRO 29 HG2 PRO 29 -7.587 4.513 -1.143 241 HG3 PRO 29 HG3 PRO 29 -6.841 4.818 -2.751 242 HD2 PRO 29 HD2 PRO 29 -5.783 5.525 -0.013 243 HD3 PRO 29 HD3 PRO 29 -4.937 4.858 -1.447 244 H SER 30 H SER 30 -7.210 9.660 -3.471 245 HA SER 30 HA SER 30 -7.164 11.583 -1.319 246 HB2 SER 30 HB2 SER 30 -7.888 13.090 -3.164 247 HB3 SER 30 HB3 SER 30 -6.470 12.091 -3.584 248 HG SER 30 HG SER 30 -8.144 12.169 -5.220 249 H GLY 31 H GLY 31 -9.499 9.313 -2.255 250 HA2 GLY 31 HA2 GLY 31 -11.525 10.131 -0.461 251 HA3 GLY 31 HA3 GLY 31 -11.998 10.551 -2.121
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