NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602011 | 2n1p | 25570 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA HIS 1 HA HIS 1 -25.046 -2.854 6.536 2 HB2 HIS 1 HB2 HIS 1 -24.481 -5.236 8.048 3 HB3 HIS 1 HB3 HIS 1 -23.043 -4.807 7.121 4 HD1 HIS 1 HD1 HIS 1 -25.372 -3.459 9.766 5 HD2 HIS 1 HD2 HIS 1 -21.779 -2.410 7.928 6 HE1 HIS 1 HE1 HIS 1 -24.425 -1.522 11.094 7 H SER 2 HN SER 2 -23.623 -2.259 4.878 8 HA SER 2 HA SER 2 -23.197 -4.277 2.699 9 HB2 SER 2 HB2 SER 2 -23.448 -1.256 2.749 10 HB3 SER 2 HB3 SER 2 -22.969 -2.153 1.311 11 HG SER 2 HG SER 2 -25.208 -1.831 1.327 12 H VAL 3 HN VAL 3 -21.396 -4.489 4.756 13 HA VAL 3 HA VAL 3 -19.097 -4.459 5.259 14 HB VAL 3 HB VAL 3 -18.925 -3.672 2.327 15 HG11 VAL 3 HG11 VAL 3 -16.995 -4.754 4.356 16 HG12 VAL 3 HG12 VAL 3 -16.735 -3.539 3.103 17 HG13 VAL 3 HG13 VAL 3 -16.823 -5.246 2.671 18 HG21 VAL 3 HG21 VAL 3 -18.846 -6.106 1.896 19 HG22 VAL 3 HG22 VAL 3 -20.368 -5.657 2.666 20 HG23 VAL 3 HG23 VAL 3 -19.091 -6.421 3.613 21 H SER 4 HN SER 4 -20.367 -2.149 6.083 22 HA SER 4 HA SER 4 -18.854 0.194 5.103 23 HB2 SER 4 HB2 SER 4 -21.308 -0.391 6.565 24 HB3 SER 4 HB3 SER 4 -20.383 0.895 7.336 25 HG SER 4 HG SER 4 -21.147 2.110 5.810 26 H HIS 5 HN HIS 5 -19.067 -1.852 7.956 27 HA HIS 5 HA HIS 5 -16.723 -0.415 9.155 28 HB2 HIS 5 HB2 HIS 5 -19.083 -1.936 10.280 29 HB3 HIS 5 HB3 HIS 5 -17.657 -1.599 11.260 30 HD1 HIS 5 HD1 HIS 5 -16.967 1.072 11.313 31 HD2 HIS 5 HD2 HIS 5 -20.886 0.162 10.223 32 HE1 HIS 5 HE1 HIS 5 -18.299 3.208 11.583 33 H ALA 6 HN ALA 6 -16.647 -2.579 7.086 34 HA ALA 6 HA ALA 6 -14.903 -4.486 8.571 35 HB1 ALA 6 HB1 ALA 6 -16.063 -6.361 7.415 36 HB2 ALA 6 HB2 ALA 6 -17.190 -5.205 6.703 37 HB3 ALA 6 HB3 ALA 6 -17.167 -5.455 8.449 38 H ARG 7 HN ARG 7 -14.029 -2.375 6.907 39 HA ARG 7 HA ARG 7 -13.434 -3.584 4.250 40 HB2 ARG 7 HB2 ARG 7 -12.928 -0.837 5.451 41 HB3 ARG 7 HB3 ARG 7 -12.615 -1.278 3.773 42 HG2 ARG 7 HG2 ARG 7 -15.319 -2.012 4.563 43 HG3 ARG 7 HG3 ARG 7 -15.027 -0.292 4.815 44 HD2 ARG 7 HD2 ARG 7 -14.066 -1.467 2.237 45 HD3 ARG 7 HD3 ARG 7 -15.813 -1.226 2.430 46 HE ARG 7 HE ARG 7 -13.762 0.940 2.644 47 HH11 ARG 7 HH11 ARG 7 -15.602 1.119 0.382 48 HH12 ARG 7 HH12 ARG 7 -16.893 2.107 0.979 49 HH21 ARG 7 HH21 ARG 7 -16.032 1.676 4.318 50 HH22 ARG 7 HH22 ARG 7 -17.136 2.425 3.215 51 HA PRO 8 HA PRO 8 -9.533 -4.793 6.104 52 HB2 PRO 8 HB2 PRO 8 -8.592 -6.163 3.924 53 HB3 PRO 8 HB3 PRO 8 -9.771 -6.836 5.065 54 HG2 PRO 8 HG2 PRO 8 -10.202 -5.685 2.361 55 HG3 PRO 8 HG3 PRO 8 -11.018 -7.036 3.160 56 HD2 PRO 8 HD2 PRO 8 -12.077 -4.517 2.920 57 HD3 PRO 8 HD3 PRO 8 -12.536 -5.681 4.181 58 H ARG 9 HN ARG 9 -8.715 -4.477 2.649 59 HA ARG 9 HA ARG 9 -7.331 -1.894 3.220 60 HB2 ARG 9 HB2 ARG 9 -6.167 -4.519 2.298 61 HB3 ARG 9 HB3 ARG 9 -5.361 -2.992 1.935 62 HG2 ARG 9 HG2 ARG 9 -5.853 -2.619 4.567 63 HG3 ARG 9 HG3 ARG 9 -5.708 -4.376 4.545 64 HD2 ARG 9 HD2 ARG 9 -3.576 -3.530 2.952 65 HD3 ARG 9 HD3 ARG 9 -3.610 -2.358 4.285 66 HE ARG 9 HE ARG 9 -3.681 -4.366 5.839 67 HH11 ARG 9 HH11 ARG 9 -3.925 -6.096 3.196 68 HH12 ARG 9 HH12 ARG 9 -2.373 -6.863 3.224 69 HH21 ARG 9 HH21 ARG 9 -1.069 -4.720 5.631 70 HH22 ARG 9 HH22 ARG 9 -0.750 -6.082 4.610 71 H TRP 10 HN TRP 10 -9.726 -2.728 1.562 72 HA TRP 10 HA TRP 10 -9.134 -2.767 -1.228 73 HB2 TRP 10 HB2 TRP 10 -11.324 -3.312 -0.430 74 HB3 TRP 10 HB3 TRP 10 -11.459 -1.796 0.457 75 HD1 TRP 10 HD1 TRP 10 -11.297 -3.090 -3.176 76 HE1 TRP 10 HE1 TRP 10 -12.553 -1.417 -4.683 77 HE3 TRP 10 HE3 TRP 10 -12.401 0.530 0.254 78 HZ2 TRP 10 HZ2 TRP 10 -13.854 1.123 -4.462 79 HZ3 TRP 10 HZ3 TRP 10 -13.648 2.563 -0.421 80 HH2 TRP 10 HH2 TRP 10 -14.374 2.863 -2.771 81 H PHE 11 HN PHE 11 -9.771 -0.017 0.969 82 HA PHE 11 HA PHE 11 -9.192 1.960 -1.145 83 HB2 PHE 11 HB2 PHE 11 -10.967 2.140 0.657 84 HB3 PHE 11 HB3 PHE 11 -9.664 2.313 1.833 85 HD1 PHE 11 HD2 PHE 11 -11.186 3.836 -1.207 86 HD2 PHE 11 HD1 PHE 11 -8.514 4.378 2.112 87 HE1 PHE 11 HE2 PHE 11 -11.036 6.257 -1.722 88 HE2 PHE 11 HE1 PHE 11 -8.365 6.798 1.598 89 HZ PHE 11 HZ PHE 11 -9.626 7.739 -0.320 90 H TRP 12 HN TRP 12 -7.382 0.178 1.184 91 HA TRP 12 HA TRP 12 -5.252 2.243 1.394 92 HB2 TRP 12 HB2 TRP 12 -5.598 -0.479 2.688 93 HB3 TRP 12 HB3 TRP 12 -4.399 0.732 3.134 94 HD1 TRP 12 HD1 TRP 12 -7.899 -0.314 3.798 95 HE1 TRP 12 HE1 TRP 12 -9.084 1.407 5.302 96 HE3 TRP 12 HE3 TRP 12 -4.506 3.497 3.614 97 HZ2 TRP 12 HZ2 TRP 12 -8.649 4.053 6.301 98 HZ3 TRP 12 HZ3 TRP 12 -4.916 5.605 4.850 99 HH2 TRP 12 HH2 TRP 12 -6.981 5.888 6.193 100 H PHE 13 HN PHE 13 -5.950 0.203 -0.982 101 HA PHE 13 HA PHE 13 -3.703 -1.524 -1.315 102 HB2 PHE 13 HB2 PHE 13 -5.605 -1.846 -2.699 103 HB3 PHE 13 HB3 PHE 13 -5.651 -0.146 -3.166 104 HD1 PHE 13 HD2 PHE 13 -3.414 -3.155 -3.363 105 HD2 PHE 13 HD1 PHE 13 -4.701 0.509 -5.201 106 HE1 PHE 13 HE2 PHE 13 -2.012 -3.656 -5.346 107 HE2 PHE 13 HE1 PHE 13 -3.298 0.006 -7.184 108 HZ PHE 13 HZ PHE 13 -1.953 -2.076 -7.256 109 H SER 14 HN SER 14 -4.256 1.743 -2.607 110 HA SER 14 HA SER 14 -1.689 2.102 -3.812 111 HB2 SER 14 HB2 SER 14 -3.944 3.453 -3.915 112 HB3 SER 14 HB3 SER 14 -3.271 4.328 -2.542 113 HG SER 14 HG SER 14 -2.284 4.093 -5.182 114 H LEU 15 HN LEU 15 -2.860 2.581 -0.544 115 HA LEU 15 HA LEU 15 -0.572 3.971 0.529 116 HB2 LEU 15 HB2 LEU 15 -3.074 3.393 1.365 117 HB3 LEU 15 HB3 LEU 15 -2.204 2.108 2.202 118 HG LEU 15 HG LEU 15 -0.611 4.342 2.635 119 HD11 LEU 15 HD11 LEU 15 -3.548 5.086 2.759 120 HD12 LEU 15 HD12 LEU 15 -2.293 5.867 1.796 121 HD13 LEU 15 HD13 LEU 15 -2.270 6.004 3.554 122 HD21 LEU 15 HD21 LEU 15 -1.976 4.247 4.927 123 HD22 LEU 15 HD22 LEU 15 -0.886 2.943 4.460 124 HD23 LEU 15 HD23 LEU 15 -2.622 2.775 4.203 125 H LEU 16 HN LEU 16 -1.477 0.523 0.305 126 HA LEU 16 HA LEU 16 0.754 -0.549 1.753 127 HB2 LEU 16 HB2 LEU 16 -1.491 -1.601 0.986 128 HB3 LEU 16 HB3 LEU 16 -0.680 -1.871 -0.556 129 HG LEU 16 HG LEU 16 0.958 -2.712 1.721 130 HD11 LEU 16 HD11 LEU 16 -1.670 -4.148 1.228 131 HD12 LEU 16 HD12 LEU 16 -1.297 -3.190 2.662 132 HD13 LEU 16 HD13 LEU 16 -0.391 -4.666 2.326 133 HD21 LEU 16 HD21 LEU 16 1.368 -4.591 0.314 134 HD22 LEU 16 HD22 LEU 16 1.177 -3.230 -0.791 135 HD23 LEU 16 HD23 LEU 16 -0.149 -4.369 -0.556 136 H LEU 17 HN LEU 17 0.258 0.166 -1.669 137 HA LEU 17 HA LEU 17 2.709 -0.904 -2.680 138 HB2 LEU 17 HB2 LEU 17 0.506 0.049 -3.796 139 HB3 LEU 17 HB3 LEU 17 1.410 1.563 -3.803 140 HG LEU 17 HG LEU 17 2.938 -0.780 -4.754 141 HD11 LEU 17 HD11 LEU 17 0.523 -1.089 -5.614 142 HD12 LEU 17 HD12 LEU 17 1.813 -1.080 -6.817 143 HD13 LEU 17 HD13 LEU 17 0.818 0.357 -6.579 144 HD21 LEU 17 HD21 LEU 17 3.812 1.505 -4.880 145 HD22 LEU 17 HD22 LEU 17 2.407 2.015 -5.817 146 HD23 LEU 17 HD23 LEU 17 3.565 0.879 -6.510 147 H LEU 18 HN LEU 18 1.896 2.136 -1.149 148 HA LEU 18 HA LEU 18 4.416 3.473 -1.708 149 HB2 LEU 18 HB2 LEU 18 2.037 4.390 -1.099 150 HB3 LEU 18 HB3 LEU 18 2.546 4.106 0.565 151 HG LEU 18 HG LEU 18 4.731 5.396 -0.284 152 HD11 LEU 18 HD11 LEU 18 4.320 7.007 -1.960 153 HD12 LEU 18 HD12 LEU 18 2.573 6.791 -1.865 154 HD13 LEU 18 HD13 LEU 18 3.577 5.542 -2.603 155 HD21 LEU 18 HD21 LEU 18 2.185 6.908 0.362 156 HD22 LEU 18 HD22 LEU 18 3.840 7.376 0.752 157 HD23 LEU 18 HD23 LEU 18 3.097 6.002 1.569 158 H ALA 19 HN ALA 19 3.082 1.578 0.955 159 HA ALA 19 HA ALA 19 5.161 1.996 2.881 160 HB1 ALA 19 HB1 ALA 19 3.615 -0.572 2.490 161 HB2 ALA 19 HB2 ALA 19 2.816 0.895 3.054 162 HB3 ALA 19 HB3 ALA 19 4.118 0.180 4.003 163 H ALA 20 HN ALA 20 4.784 -0.407 0.268 164 HA ALA 20 HA ALA 20 7.117 -1.977 0.839 165 HB1 ALA 20 HB1 ALA 20 6.833 -2.356 -1.760 166 HB2 ALA 20 HB2 ALA 20 5.366 -1.400 -1.541 167 HB3 ALA 20 HB3 ALA 20 5.573 -2.913 -0.658 168 H GLY 21 HN GLY 21 6.625 0.958 -1.135 169 HA2 GLY 21 HA2 GLY 21 9.281 1.076 -2.225 170 HA3 GLY 21 HA3 GLY 21 8.171 2.442 -2.094 171 H VAL 22 HN VAL 22 7.831 2.354 0.763 172 HA VAL 22 HA VAL 22 10.046 3.945 1.647 173 HB VAL 22 HB VAL 22 7.920 2.388 3.167 174 HG11 VAL 22 HG11 VAL 22 8.347 4.053 4.973 175 HG12 VAL 22 HG12 VAL 22 9.709 4.678 4.044 176 HG13 VAL 22 HG13 VAL 22 9.747 3.028 4.664 177 HG21 VAL 22 HG21 VAL 22 7.670 5.300 2.962 178 HG22 VAL 22 HG22 VAL 22 6.474 4.048 2.632 179 HG23 VAL 22 HG23 VAL 22 7.634 4.508 1.387 180 H GLY 23 HN GLY 23 9.255 0.493 2.146 181 HA2 GLY 23 HA2 GLY 23 11.445 -0.104 3.898 182 HA3 GLY 23 HA3 GLY 23 10.574 -1.287 2.921 183 H ILE 24 HN ILE 24 11.112 -0.239 0.344 184 HA ILE 24 HA ILE 24 13.742 -1.321 -0.172 185 HB ILE 24 HB ILE 24 11.780 0.351 -1.788 186 HG12 ILE 24 HG12 ILE 24 10.977 -1.884 -1.132 187 HG13 ILE 24 HG13 ILE 24 11.283 -1.824 -2.866 188 HG21 ILE 24 HG21 ILE 24 13.112 -0.597 -3.764 189 HG22 ILE 24 HG22 ILE 24 14.379 -0.969 -2.596 190 HG23 ILE 24 HG23 ILE 24 13.883 0.703 -2.854 191 HD11 ILE 24 HD11 ILE 24 13.646 -2.725 -2.257 192 HD12 ILE 24 HD12 ILE 24 12.290 -3.851 -2.210 193 HD13 ILE 24 HD13 ILE 24 12.916 -3.161 -0.713 194 H TYR 25 HN TYR 25 12.502 2.009 0.228 195 HA TYR 25 HA TYR 25 14.891 3.377 -0.613 196 HB2 TYR 25 HB2 TYR 25 12.454 4.201 -0.101 197 HB3 TYR 25 HB3 TYR 25 13.045 4.364 1.554 198 HD1 TYR 25 HD2 TYR 25 14.837 5.950 2.111 199 HD2 TYR 25 HD1 TYR 25 13.324 5.606 -1.896 200 HE1 TYR 25 HE2 TYR 25 15.936 8.090 1.510 201 HE2 TYR 25 HE1 TYR 25 14.425 7.745 -2.496 202 HH TYR 25 HH TYR 25 15.237 9.957 -0.714 203 H LEU 26 HN LEU 26 13.982 1.743 2.361 204 HA LEU 26 HA LEU 26 16.149 2.871 3.979 205 HB2 LEU 26 HB2 LEU 26 13.883 0.996 4.219 206 HB3 LEU 26 HB3 LEU 26 15.288 0.517 5.166 207 HG LEU 26 HG LEU 26 13.802 1.955 6.497 208 HD11 LEU 26 HD11 LEU 26 15.488 3.267 7.411 209 HD12 LEU 26 HD12 LEU 26 16.131 3.724 5.834 210 HD13 LEU 26 HD13 LEU 26 16.438 2.110 6.477 211 HD21 LEU 26 HD21 LEU 26 14.296 3.961 4.273 212 HD22 LEU 26 HD22 LEU 26 13.545 4.356 5.819 213 HD23 LEU 26 HD23 LEU 26 12.750 3.236 4.712 214 H LEU 27 HN LEU 27 15.692 0.200 1.762 215 HA LEU 27 HA LEU 27 18.523 -0.670 2.226 216 HB2 LEU 27 HB2 LEU 27 16.452 -2.048 3.162 217 HB3 LEU 27 HB3 LEU 27 16.343 -2.600 1.489 218 HG LEU 27 HG LEU 27 18.982 -2.929 1.845 219 HD11 LEU 27 HD11 LEU 27 19.427 -3.759 4.121 220 HD12 LEU 27 HD12 LEU 27 17.783 -3.337 4.603 221 HD13 LEU 27 HD13 LEU 27 18.926 -2.068 4.162 222 HD21 LEU 27 HD21 LEU 27 17.233 -4.640 1.220 223 HD22 LEU 27 HD22 LEU 27 16.956 -4.902 2.942 224 HD23 LEU 27 HD23 LEU 27 18.528 -5.275 2.234 225 HA PRO 28 HA PRO 28 17.462 -0.251 -2.304 226 HB2 PRO 28 HB2 PRO 28 18.249 2.314 -2.850 227 HB3 PRO 28 HB3 PRO 28 16.613 1.891 -2.310 228 HG2 PRO 28 HG2 PRO 28 18.707 3.307 -0.876 229 HG3 PRO 28 HG3 PRO 28 16.992 3.157 -0.499 230 HD2 PRO 28 HD2 PRO 28 19.230 1.702 0.638 231 HD3 PRO 28 HD3 PRO 28 17.538 1.721 1.150 232 H ASN 29 HN ASN 29 20.287 0.607 -0.426 233 HA ASN 29 HA ASN 29 22.068 0.257 -2.800 234 HB2 ASN 29 HB2 ASN 29 23.766 1.281 -1.312 235 HB3 ASN 29 HB3 ASN 29 22.325 2.287 -1.427 236 HD21 ASN 29 HD21 ASN 29 21.142 2.688 0.511 237 HD22 ASN 29 HD22 ASN 29 21.574 2.038 2.019 238 H ARG 30 HN ARG 30 20.793 -1.619 -0.296 239 HA ARG 30 HA ARG 30 23.055 -3.562 -0.543 240 HB2 ARG 30 HB2 ARG 30 21.838 -2.278 1.870 241 HB3 ARG 30 HB3 ARG 30 22.319 -3.969 2.005 242 HG2 ARG 30 HG2 ARG 30 24.442 -2.679 0.666 243 HG3 ARG 30 HG3 ARG 30 23.988 -1.603 1.987 244 HD2 ARG 30 HD2 ARG 30 23.982 -4.324 2.955 245 HD3 ARG 30 HD3 ARG 30 25.537 -3.975 2.174 246 HE ARG 30 HE ARG 30 25.674 -1.927 3.621 247 HH11 ARG 30 HH21 ARG 30 22.705 -2.212 4.443 248 HH12 ARG 30 HH22 ARG 30 22.882 -2.738 6.083 249 HH21 ARG 30 HH11 ARG 30 26.239 -3.570 5.727 250 HH22 ARG 30 HH12 ARG 30 24.892 -3.512 6.813 Start of MODEL 2 1 HA HIS 1 HA HIS 1 -17.747 2.861 0.584 2 HB2 HIS 1 HB2 HIS 1 -20.135 3.588 0.617 3 HB3 HIS 1 HB3 HIS 1 -20.588 1.993 1.214 4 HD1 HIS 1 HD1 HIS 1 -18.607 5.062 2.231 5 HD2 HIS 1 HD2 HIS 1 -20.190 1.614 3.960 6 HE1 HIS 1 HE1 HIS 1 -18.333 5.324 4.735 7 H SER 2 HN SER 2 -16.469 1.685 1.965 8 HA SER 2 HA SER 2 -17.343 -1.069 2.757 9 HB2 SER 2 HB2 SER 2 -14.734 -0.151 1.522 10 HB3 SER 2 HB3 SER 2 -14.900 -1.703 2.339 11 HG SER 2 HG SER 2 -15.309 -1.974 0.150 12 H VAL 3 HN VAL 3 -17.590 1.152 4.450 13 HA VAL 3 HA VAL 3 -15.286 0.840 6.351 14 HB VAL 3 HB VAL 3 -17.262 3.137 6.179 15 HG11 VAL 3 HG11 VAL 3 -14.655 2.609 7.579 16 HG12 VAL 3 HG12 VAL 3 -16.140 3.310 8.220 17 HG13 VAL 3 HG13 VAL 3 -15.099 4.265 7.163 18 HG21 VAL 3 HG21 VAL 3 -15.191 4.266 5.033 19 HG22 VAL 3 HG22 VAL 3 -16.263 3.264 4.056 20 HG23 VAL 3 HG23 VAL 3 -14.730 2.613 4.632 21 H SER 4 HN SER 4 -17.754 -0.883 6.131 22 HA SER 4 HA SER 4 -19.518 -0.178 8.336 23 HB2 SER 4 HB2 SER 4 -20.319 -1.490 6.470 24 HB3 SER 4 HB3 SER 4 -19.040 -2.679 6.695 25 HG SER 4 HG SER 4 -21.390 -2.250 8.147 26 H HIS 5 HN HIS 5 -16.492 -1.846 8.079 27 HA HIS 5 HA HIS 5 -16.659 -2.561 10.985 28 HB2 HIS 5 HB2 HIS 5 -16.482 -4.253 8.665 29 HB3 HIS 5 HB3 HIS 5 -14.992 -4.411 9.593 30 HD1 HIS 5 HD1 HIS 5 -18.685 -4.116 10.566 31 HD2 HIS 5 HD2 HIS 5 -15.324 -6.429 11.429 32 HE1 HIS 5 HE1 HIS 5 -19.407 -5.813 12.305 33 H ALA 6 HN ALA 6 -15.393 -0.236 9.560 34 HA ALA 6 HA ALA 6 -13.349 0.943 9.544 35 HB1 ALA 6 HB1 ALA 6 -13.765 0.493 11.960 36 HB2 ALA 6 HB2 ALA 6 -12.043 0.562 11.587 37 HB3 ALA 6 HB3 ALA 6 -12.832 -0.997 11.822 38 H ARG 7 HN ARG 7 -13.473 -1.355 7.737 39 HA ARG 7 HA ARG 7 -10.616 -2.280 7.793 40 HB2 ARG 7 HB2 ARG 7 -13.231 -3.521 6.936 41 HB3 ARG 7 HB3 ARG 7 -11.710 -4.115 6.269 42 HG2 ARG 7 HG2 ARG 7 -11.149 -3.959 8.970 43 HG3 ARG 7 HG3 ARG 7 -12.836 -4.472 8.962 44 HD2 ARG 7 HD2 ARG 7 -10.837 -5.834 7.153 45 HD3 ARG 7 HD3 ARG 7 -11.001 -6.327 8.849 46 HE ARG 7 HE ARG 7 -13.584 -6.078 7.525 47 HH11 ARG 7 HH21 ARG 7 -12.321 -7.933 5.663 48 HH12 ARG 7 HH22 ARG 7 -12.518 -9.477 6.422 49 HH21 ARG 7 HH11 ARG 7 -13.209 -8.141 9.556 50 HH22 ARG 7 HH12 ARG 7 -13.022 -9.594 8.635 51 HA PRO 8 HA PRO 8 -11.073 0.445 4.121 52 HB2 PRO 8 HB2 PRO 8 -8.597 1.585 4.324 53 HB3 PRO 8 HB3 PRO 8 -10.014 2.183 5.211 54 HG2 PRO 8 HG2 PRO 8 -7.744 0.528 6.164 55 HG3 PRO 8 HG3 PRO 8 -8.666 1.779 7.010 56 HD2 PRO 8 HD2 PRO 8 -9.012 -0.931 7.360 57 HD3 PRO 8 HD3 PRO 8 -10.234 0.302 7.731 58 H ARG 9 HN ARG 9 -10.419 -0.154 2.090 59 HA ARG 9 HA ARG 9 -7.909 -1.710 1.714 60 HB2 ARG 9 HB2 ARG 9 -10.366 -2.932 2.038 61 HB3 ARG 9 HB3 ARG 9 -10.237 -2.808 0.282 62 HG2 ARG 9 HG2 ARG 9 -8.321 -4.133 0.190 63 HG3 ARG 9 HG3 ARG 9 -7.870 -3.774 1.856 64 HD2 ARG 9 HD2 ARG 9 -10.100 -5.038 2.454 65 HD3 ARG 9 HD3 ARG 9 -9.907 -5.742 0.836 66 HE ARG 9 HE ARG 9 -8.036 -6.102 3.108 67 HH11 ARG 9 HH21 ARG 9 -9.021 -8.473 1.706 68 HH12 ARG 9 HH22 ARG 9 -7.752 -8.841 0.588 69 HH21 ARG 9 HH11 ARG 9 -6.285 -5.697 0.820 70 HH22 ARG 9 HH12 ARG 9 -6.194 -7.263 0.086 71 H TRP 10 HN TRP 10 -10.808 -0.388 0.067 72 HA TRP 10 HA TRP 10 -9.949 -0.164 -2.573 73 HB2 TRP 10 HB2 TRP 10 -11.645 1.483 -0.721 74 HB3 TRP 10 HB3 TRP 10 -11.309 2.117 -2.330 75 HD1 TRP 10 HD1 TRP 10 -12.423 -1.311 -0.877 76 HE1 TRP 10 HE1 TRP 10 -14.266 -2.259 -2.412 77 HE3 TRP 10 HE3 TRP 10 -12.642 2.394 -4.386 78 HZ2 TRP 10 HZ2 TRP 10 -15.648 -1.541 -4.809 79 HZ3 TRP 10 HZ3 TRP 10 -14.229 2.236 -6.282 80 HH2 TRP 10 HH2 TRP 10 -15.731 0.275 -6.497 81 H PHE 11 HN PHE 11 -9.307 2.187 0.056 82 HA PHE 11 HA PHE 11 -7.368 3.635 -1.676 83 HB2 PHE 11 HB2 PHE 11 -8.722 4.117 0.985 84 HB3 PHE 11 HB3 PHE 11 -7.386 5.134 0.441 85 HD1 PHE 11 HD2 PHE 11 -7.584 6.406 -1.717 86 HD2 PHE 11 HD1 PHE 11 -10.907 4.319 0.030 87 HE1 PHE 11 HE2 PHE 11 -9.145 7.697 -3.147 88 HE2 PHE 11 HE1 PHE 11 -12.469 5.610 -1.400 89 HZ PHE 11 HZ PHE 11 -11.588 7.298 -2.989 90 H TRP 12 HN TRP 12 -7.498 1.529 1.162 91 HA TRP 12 HA TRP 12 -4.902 1.961 2.225 92 HB2 TRP 12 HB2 TRP 12 -6.670 0.691 3.346 93 HB3 TRP 12 HB3 TRP 12 -6.628 -0.526 2.072 94 HD1 TRP 12 HD1 TRP 12 -5.020 -2.475 2.388 95 HE1 TRP 12 HE1 TRP 12 -3.086 -3.016 4.002 96 HE3 TRP 12 HE3 TRP 12 -4.638 1.992 4.829 97 HZ2 TRP 12 HZ2 TRP 12 -1.574 -1.722 6.059 98 HZ3 TRP 12 HZ3 TRP 12 -2.944 2.312 6.610 99 HH2 TRP 12 HH2 TRP 12 -1.413 0.461 7.228 100 H PHE 13 HN PHE 13 -5.949 0.089 -0.559 101 HA PHE 13 HA PHE 13 -3.633 -1.505 -0.994 102 HB2 PHE 13 HB2 PHE 13 -5.901 -0.412 -2.573 103 HB3 PHE 13 HB3 PHE 13 -4.501 -0.936 -3.508 104 HD1 PHE 13 HD2 PHE 13 -3.434 -3.251 -2.368 105 HD2 PHE 13 HD1 PHE 13 -7.554 -2.030 -2.398 106 HE1 PHE 13 HE2 PHE 13 -4.138 -5.614 -2.096 107 HE2 PHE 13 HE1 PHE 13 -8.256 -4.392 -2.127 108 HZ PHE 13 HZ PHE 13 -6.549 -6.185 -1.976 109 H SER 14 HN SER 14 -4.342 1.838 -1.840 110 HA SER 14 HA SER 14 -1.983 2.359 -3.411 111 HB2 SER 14 HB2 SER 14 -4.225 3.667 -3.108 112 HB3 SER 14 HB3 SER 14 -3.442 4.372 -1.697 113 HG SER 14 HG SER 14 -1.772 5.084 -3.072 114 H LEU 15 HN LEU 15 -2.720 2.554 0.029 115 HA LEU 15 HA LEU 15 -0.269 3.822 0.882 116 HB2 LEU 15 HB2 LEU 15 -2.498 3.539 2.115 117 HB3 LEU 15 HB3 LEU 15 -2.014 1.871 2.420 118 HG LEU 15 HG LEU 15 0.015 3.934 3.075 119 HD11 LEU 15 HD11 LEU 15 -1.055 4.601 5.145 120 HD12 LEU 15 HD12 LEU 15 -2.425 3.536 4.831 121 HD13 LEU 15 HD13 LEU 15 -2.161 4.956 3.819 122 HD21 LEU 15 HD21 LEU 15 -0.267 2.309 5.238 123 HD22 LEU 15 HD22 LEU 15 0.733 1.900 3.845 124 HD23 LEU 15 HD23 LEU 15 -0.904 1.256 3.973 125 H LEU 16 HN LEU 16 -1.294 0.402 0.599 126 HA LEU 16 HA LEU 16 1.134 -0.762 1.600 127 HB2 LEU 16 HB2 LEU 16 -1.292 -1.692 1.061 128 HB3 LEU 16 HB3 LEU 16 -0.569 -2.057 -0.507 129 HG LEU 16 HG LEU 16 0.881 -2.855 2.001 130 HD11 LEU 16 HD11 LEU 16 -0.318 -4.980 2.047 131 HD12 LEU 16 HD12 LEU 16 -1.313 -4.482 0.678 132 HD13 LEU 16 HD13 LEU 16 -1.473 -3.660 2.230 133 HD21 LEU 16 HD21 LEU 16 2.209 -3.372 0.181 134 HD22 LEU 16 HD22 LEU 16 0.830 -3.579 -0.900 135 HD23 LEU 16 HD23 LEU 16 1.249 -4.849 0.250 136 H LEU 17 HN LEU 17 0.086 0.245 -1.601 137 HA LEU 17 HA LEU 17 2.276 -0.803 -3.128 138 HB2 LEU 17 HB2 LEU 17 -0.107 0.565 -3.552 139 HB3 LEU 17 HB3 LEU 17 1.114 1.737 -4.041 140 HG LEU 17 HG LEU 17 1.967 -0.731 -5.109 141 HD11 LEU 17 HD11 LEU 17 -1.003 -0.415 -5.083 142 HD12 LEU 17 HD12 LEU 17 -0.029 -1.886 -5.084 143 HD13 LEU 17 HD13 LEU 17 -0.258 -0.980 -6.579 144 HD21 LEU 17 HD21 LEU 17 0.628 1.721 -6.277 145 HD22 LEU 17 HD22 LEU 17 1.267 0.421 -7.283 146 HD23 LEU 17 HD23 LEU 17 2.350 1.342 -6.241 147 H LEU 18 HN LEU 18 1.819 2.117 -1.259 148 HA LEU 18 HA LEU 18 4.341 3.357 -2.119 149 HB2 LEU 18 HB2 LEU 18 1.933 4.272 -1.232 150 HB3 LEU 18 HB3 LEU 18 2.847 4.304 0.273 151 HG LEU 18 HG LEU 18 3.001 6.461 -0.939 152 HD11 LEU 18 HD11 LEU 18 5.364 6.739 -0.733 153 HD12 LEU 18 HD12 LEU 18 5.666 5.037 -1.083 154 HD13 LEU 18 HD13 LEU 18 4.919 5.505 0.446 155 HD21 LEU 18 HD21 LEU 18 4.552 4.977 -3.071 156 HD22 LEU 18 HD22 LEU 18 3.969 6.642 -3.105 157 HD23 LEU 18 HD23 LEU 18 2.826 5.306 -3.228 158 H ALA 19 HN ALA 19 3.072 1.556 0.620 159 HA ALA 19 HA ALA 19 5.204 1.941 2.486 160 HB1 ALA 19 HB1 ALA 19 3.389 -0.452 2.026 161 HB2 ALA 19 HB2 ALA 19 2.961 0.980 2.963 162 HB3 ALA 19 HB3 ALA 19 4.251 -0.085 3.521 163 H ALA 20 HN ALA 20 4.774 -0.418 -0.159 164 HA ALA 20 HA ALA 20 7.030 -2.087 0.413 165 HB1 ALA 20 HB1 ALA 20 6.682 -2.850 -1.856 166 HB2 ALA 20 HB2 ALA 20 5.890 -1.338 -2.299 167 HB3 ALA 20 HB3 ALA 20 5.095 -2.460 -1.194 168 H GLY 21 HN GLY 21 6.715 0.898 -1.523 169 HA2 GLY 21 HA2 GLY 21 9.433 0.929 -2.476 170 HA3 GLY 21 HA3 GLY 21 8.347 2.318 -2.440 171 H VAL 22 HN VAL 22 7.830 2.308 0.391 172 HA VAL 22 HA VAL 22 10.011 3.878 1.373 173 HB VAL 22 HB VAL 22 7.741 2.388 2.739 174 HG11 VAL 22 HG11 VAL 22 9.271 2.786 4.497 175 HG12 VAL 22 HG12 VAL 22 8.195 4.181 4.554 176 HG13 VAL 22 HG13 VAL 22 9.789 4.329 3.814 177 HG21 VAL 22 HG21 VAL 22 7.961 5.363 2.326 178 HG22 VAL 22 HG22 VAL 22 6.513 4.376 2.538 179 HG23 VAL 22 HG23 VAL 22 7.393 4.332 1.012 180 H GLY 23 HN GLY 23 9.174 0.436 1.885 181 HA2 GLY 23 HA2 GLY 23 11.256 -0.144 3.766 182 HA3 GLY 23 HA3 GLY 23 10.448 -1.338 2.749 183 H ILE 24 HN ILE 24 11.133 -0.359 0.201 184 HA ILE 24 HA ILE 24 13.814 -1.398 -0.123 185 HB ILE 24 HB ILE 24 11.938 0.182 -1.925 186 HG12 ILE 24 HG12 ILE 24 11.066 -2.008 -1.216 187 HG13 ILE 24 HG13 ILE 24 11.498 -2.047 -2.924 188 HG21 ILE 24 HG21 ILE 24 13.366 -0.820 -3.775 189 HG22 ILE 24 HG22 ILE 24 14.545 -1.234 -2.531 190 HG23 ILE 24 HG23 ILE 24 14.141 0.455 -2.836 191 HD11 ILE 24 HD11 ILE 24 13.814 -2.909 -2.059 192 HD12 ILE 24 HD12 ILE 24 12.456 -4.031 -2.122 193 HD13 ILE 24 HD13 ILE 24 12.924 -3.298 -0.588 194 H TYR 25 HN TYR 25 12.463 1.905 0.077 195 HA TYR 25 HA TYR 25 14.848 3.321 -0.678 196 HB2 TYR 25 HB2 TYR 25 12.386 4.101 -0.352 197 HB3 TYR 25 HB3 TYR 25 12.826 4.282 1.348 198 HD1 TYR 25 HD1 TYR 25 13.413 5.504 -2.078 199 HD2 TYR 25 HD2 TYR 25 14.470 5.945 2.063 200 HE1 TYR 25 HE1 TYR 25 14.501 7.673 -2.586 201 HE2 TYR 25 HE2 TYR 25 15.555 8.115 1.554 202 HH TYR 25 HH TYR 25 16.631 9.074 -1.009 203 H LEU 26 HN LEU 26 13.864 1.721 2.284 204 HA LEU 26 HA LEU 26 15.896 2.994 3.976 205 HB2 LEU 26 HB2 LEU 26 13.668 1.080 4.173 206 HB3 LEU 26 HB3 LEU 26 15.038 0.639 5.187 207 HG LEU 26 HG LEU 26 13.485 2.082 6.429 208 HD11 LEU 26 HD11 LEU 26 16.104 2.277 6.534 209 HD12 LEU 26 HD12 LEU 26 15.108 3.477 7.359 210 HD13 LEU 26 HD13 LEU 26 15.826 3.854 5.793 211 HD21 LEU 26 HD21 LEU 26 13.215 4.464 5.688 212 HD22 LEU 26 HD22 LEU 26 12.475 3.304 4.584 213 HD23 LEU 26 HD23 LEU 26 14.023 4.043 4.177 214 H LEU 27 HN LEU 27 15.626 0.198 1.869 215 HA LEU 27 HA LEU 27 18.450 -0.565 2.536 216 HB2 LEU 27 HB2 LEU 27 16.408 -1.990 3.377 217 HB3 LEU 27 HB3 LEU 27 16.323 -2.527 1.698 218 HG LEU 27 HG LEU 27 18.923 -2.912 2.022 219 HD11 LEU 27 HD11 LEU 27 17.899 -3.293 4.848 220 HD12 LEU 27 HD12 LEU 27 18.837 -1.890 4.337 221 HD13 LEU 27 HD13 LEU 27 19.554 -3.499 4.273 222 HD21 LEU 27 HD21 LEU 27 17.172 -4.643 1.555 223 HD22 LEU 27 HD22 LEU 27 16.886 -4.771 3.290 224 HD23 LEU 27 HD23 LEU 27 18.451 -5.229 2.618 225 HA PRO 28 HA PRO 28 17.708 -0.302 -2.081 226 HB2 PRO 28 HB2 PRO 28 18.404 2.280 -2.666 227 HB3 PRO 28 HB3 PRO 28 16.753 1.788 -2.247 228 HG2 PRO 28 HG2 PRO 28 18.651 3.360 -0.700 229 HG3 PRO 28 HG3 PRO 28 16.913 3.154 -0.477 230 HD2 PRO 28 HD2 PRO 28 19.077 1.862 0.944 231 HD3 PRO 28 HD3 PRO 28 17.338 1.793 1.262 232 H ASN 29 HN ASN 29 20.298 0.808 -0.007 233 HA ASN 29 HA ASN 29 22.369 0.812 -2.086 234 HB2 ASN 29 HB2 ASN 29 22.327 2.229 -0.002 235 HB3 ASN 29 HB3 ASN 29 22.576 0.762 0.944 236 HD21 ASN 29 HD21 ASN 29 24.668 -0.393 0.650 237 HD22 ASN 29 HD22 ASN 29 26.011 0.433 0.021 238 H ARG 30 HN ARG 30 21.229 -1.414 0.451 239 HA ARG 30 HA ARG 30 21.630 -3.711 0.788 240 HB2 ARG 30 HB2 ARG 30 21.537 -3.200 -1.964 241 HB3 ARG 30 HB3 ARG 30 22.990 -4.176 -1.758 242 HG2 ARG 30 HG2 ARG 30 20.524 -5.038 -0.306 243 HG3 ARG 30 HG3 ARG 30 20.584 -5.300 -2.048 244 HD2 ARG 30 HD2 ARG 30 21.844 -7.146 -1.679 245 HD3 ARG 30 HD3 ARG 30 23.116 -6.105 -1.010 246 HE ARG 30 HE ARG 30 20.845 -7.153 0.647 247 HH11 ARG 30 HH21 ARG 30 23.642 -8.467 0.516 248 HH12 ARG 30 HH22 ARG 30 24.353 -7.842 1.966 249 HH21 ARG 30 HH11 ARG 30 21.958 -5.358 2.379 250 HH22 ARG 30 HH12 ARG 30 23.395 -6.075 3.024 Start of MODEL 3 1 HA HIS 1 HA HIS 1 -20.127 1.040 6.555 2 HB2 HIS 1 HB2 HIS 1 -19.945 1.564 9.313 3 HB3 HIS 1 HB3 HIS 1 -19.130 0.014 9.095 4 HD1 HIS 1 HD1 HIS 1 -18.939 3.632 8.094 5 HD2 HIS 1 HD2 HIS 1 -16.752 0.127 7.536 6 HE1 HIS 1 HE1 HIS 1 -16.720 4.323 7.086 7 H SER 2 HN SER 2 -18.527 -1.153 7.304 8 HA SER 2 HA SER 2 -18.351 -3.488 7.079 9 HB2 SER 2 HB2 SER 2 -20.087 -3.087 9.050 10 HB3 SER 2 HB3 SER 2 -21.235 -3.740 7.884 11 HG SER 2 HG SER 2 -20.476 -5.550 8.728 12 H VAL 3 HN VAL 3 -18.255 -3.099 4.748 13 HA VAL 3 HA VAL 3 -18.866 -3.562 2.532 14 HB VAL 3 HB VAL 3 -19.700 -5.637 4.144 15 HG11 VAL 3 HG11 VAL 3 -22.082 -4.467 3.783 16 HG12 VAL 3 HG12 VAL 3 -21.906 -6.220 3.813 17 HG13 VAL 3 HG13 VAL 3 -22.011 -5.371 2.271 18 HG21 VAL 3 HG21 VAL 3 -19.997 -6.858 1.943 19 HG22 VAL 3 HG22 VAL 3 -18.488 -5.958 2.100 20 HG23 VAL 3 HG23 VAL 3 -19.812 -5.299 1.139 21 H SER 4 HN SER 4 -20.333 -1.396 4.229 22 HA SER 4 HA SER 4 -22.963 -1.156 2.979 23 HB2 SER 4 HB2 SER 4 -22.553 -0.335 5.230 24 HB3 SER 4 HB3 SER 4 -21.222 0.665 4.661 25 HG SER 4 HG SER 4 -23.996 0.973 4.302 26 H HIS 5 HN HIS 5 -19.777 0.306 2.543 27 HA HIS 5 HA HIS 5 -20.527 1.137 -0.201 28 HB2 HIS 5 HB2 HIS 5 -20.919 2.854 1.893 29 HB3 HIS 5 HB3 HIS 5 -19.275 3.278 1.416 30 HD1 HIS 5 HD1 HIS 5 -22.546 2.543 -0.434 31 HD2 HIS 5 HD2 HIS 5 -19.317 5.179 -0.570 32 HE1 HIS 5 HE1 HIS 5 -22.999 4.135 -2.352 33 H ALA 6 HN ALA 6 -18.472 -0.668 1.215 34 HA ALA 6 HA ALA 6 -16.161 -1.164 1.076 35 HB1 ALA 6 HB1 ALA 6 -16.463 0.402 -1.504 36 HB2 ALA 6 HB2 ALA 6 -17.127 -1.217 -1.280 37 HB3 ALA 6 HB3 ALA 6 -15.384 -0.959 -1.195 38 H ARG 7 HN ARG 7 -16.536 1.063 2.704 39 HA ARG 7 HA ARG 7 -14.956 3.352 1.840 40 HB2 ARG 7 HB2 ARG 7 -16.363 2.399 4.304 41 HB3 ARG 7 HB3 ARG 7 -15.173 3.687 4.482 42 HG2 ARG 7 HG2 ARG 7 -16.585 4.513 2.266 43 HG3 ARG 7 HG3 ARG 7 -17.843 3.756 3.245 44 HD2 ARG 7 HD2 ARG 7 -16.946 5.123 5.219 45 HD3 ARG 7 HD3 ARG 7 -16.012 6.042 4.022 46 HE ARG 7 HE ARG 7 -18.976 5.724 3.738 47 HH11 ARG 7 HH11 ARG 7 -18.130 8.011 5.464 48 HH12 ARG 7 HH12 ARG 7 -18.002 9.308 4.324 49 HH21 ARG 7 HH21 ARG 7 -17.931 7.213 1.552 50 HH22 ARG 7 HH22 ARG 7 -17.888 8.855 2.101 51 HA PRO 8 HA PRO 8 -11.586 1.559 4.638 52 HB2 PRO 8 HB2 PRO 8 -11.980 -0.782 5.982 53 HB3 PRO 8 HB3 PRO 8 -12.492 0.791 6.621 54 HG2 PRO 8 HG2 PRO 8 -14.102 -1.379 5.447 55 HG3 PRO 8 HG3 PRO 8 -14.551 -0.153 6.639 56 HD2 PRO 8 HD2 PRO 8 -15.180 -0.143 3.899 57 HD3 PRO 8 HD3 PRO 8 -15.386 1.198 5.042 58 H ARG 9 HN ARG 9 -9.895 -0.178 4.412 59 HA ARG 9 HA ARG 9 -8.707 -1.792 3.175 60 HB2 ARG 9 HB2 ARG 9 -10.888 -3.002 3.946 61 HB3 ARG 9 HB3 ARG 9 -11.374 -2.853 2.258 62 HG2 ARG 9 HG2 ARG 9 -9.796 -4.346 1.524 63 HG3 ARG 9 HG3 ARG 9 -8.622 -3.869 2.749 64 HD2 ARG 9 HD2 ARG 9 -11.135 -5.336 3.558 65 HD3 ARG 9 HD3 ARG 9 -9.719 -6.229 2.967 66 HE ARG 9 HE ARG 9 -9.899 -4.855 5.526 67 HH11 ARG 9 HH11 ARG 9 -8.185 -7.281 4.804 68 HH12 ARG 9 HH12 ARG 9 -6.592 -6.615 4.939 69 HH21 ARG 9 HH21 ARG 9 -7.686 -3.315 4.894 70 HH22 ARG 9 HH22 ARG 9 -6.308 -4.358 4.991 71 H TRP 10 HN TRP 10 -10.345 0.672 1.766 72 HA TRP 10 HA TRP 10 -9.956 -0.248 -1.042 73 HB2 TRP 10 HB2 TRP 10 -12.115 0.765 -0.293 74 HB3 TRP 10 HB3 TRP 10 -11.249 2.242 0.125 75 HD1 TRP 10 HD1 TRP 10 -12.130 3.868 -1.661 76 HE1 TRP 10 HE1 TRP 10 -12.059 3.942 -4.237 77 HE3 TRP 10 HE3 TRP 10 -10.379 -0.835 -2.640 78 HZ2 TRP 10 HZ2 TRP 10 -11.354 2.238 -6.421 79 HZ3 TRP 10 HZ3 TRP 10 -10.019 -1.578 -4.973 80 HH2 TRP 10 HH2 TRP 10 -10.504 -0.051 -6.864 81 H PHE 11 HN PHE 11 -9.128 2.488 1.121 82 HA PHE 11 HA PHE 11 -7.192 3.605 -0.765 83 HB2 PHE 11 HB2 PHE 11 -6.956 5.298 0.894 84 HB3 PHE 11 HB3 PHE 11 -8.638 4.791 1.016 85 HD1 PHE 11 HD1 PHE 11 -5.313 4.662 2.605 86 HD2 PHE 11 HD2 PHE 11 -9.439 3.512 2.939 87 HE1 PHE 11 HE1 PHE 11 -4.958 4.077 4.988 88 HE2 PHE 11 HE2 PHE 11 -9.081 2.928 5.322 89 HZ PHE 11 HZ PHE 11 -6.841 3.209 6.345 90 H TRP 12 HN TRP 12 -7.118 1.185 1.743 91 HA TRP 12 HA TRP 12 -4.423 1.311 2.607 92 HB2 TRP 12 HB2 TRP 12 -6.609 -0.691 2.436 93 HB3 TRP 12 HB3 TRP 12 -4.987 -1.346 2.654 94 HD1 TRP 12 HD1 TRP 12 -7.791 0.080 4.554 95 HE1 TRP 12 HE1 TRP 12 -7.067 0.654 6.965 96 HE3 TRP 12 HE3 TRP 12 -2.723 -0.294 4.066 97 HZ2 TRP 12 HZ2 TRP 12 -4.656 0.918 8.480 98 HZ3 TRP 12 HZ3 TRP 12 -1.238 0.123 6.005 99 HH2 TRP 12 HH2 TRP 12 -2.197 0.728 8.209 100 H PHE 13 HN PHE 13 -5.776 0.105 -0.393 101 HA PHE 13 HA PHE 13 -3.587 -1.487 -1.303 102 HB2 PHE 13 HB2 PHE 13 -5.970 -1.187 -2.240 103 HB3 PHE 13 HB3 PHE 13 -5.352 0.267 -3.024 104 HD1 PHE 13 HD1 PHE 13 -5.000 -3.422 -2.799 105 HD2 PHE 13 HD2 PHE 13 -3.897 0.140 -4.934 106 HE1 PHE 13 HE1 PHE 13 -4.057 -4.809 -4.625 107 HE2 PHE 13 HE2 PHE 13 -2.954 -1.249 -6.760 108 HZ PHE 13 HZ PHE 13 -3.034 -3.723 -6.605 109 H SER 14 HN SER 14 -4.291 1.964 -1.714 110 HA SER 14 HA SER 14 -1.915 2.619 -3.211 111 HB2 SER 14 HB2 SER 14 -4.160 3.906 -2.811 112 HB3 SER 14 HB3 SER 14 -3.375 4.488 -1.346 113 HG SER 14 HG SER 14 -1.664 5.249 -2.694 114 H LEU 15 HN LEU 15 -2.709 2.507 0.212 115 HA LEU 15 HA LEU 15 -0.289 3.691 1.238 116 HB2 LEU 15 HB2 LEU 15 -2.716 2.423 2.165 117 HB3 LEU 15 HB3 LEU 15 -1.344 1.751 3.043 118 HG LEU 15 HG LEU 15 -0.579 4.159 3.423 119 HD11 LEU 15 HD11 LEU 15 -3.212 4.566 2.064 120 HD12 LEU 15 HD12 LEU 15 -1.740 5.532 1.970 121 HD13 LEU 15 HD13 LEU 15 -2.789 5.658 3.383 122 HD21 LEU 15 HD21 LEU 15 -3.122 3.009 4.582 123 HD22 LEU 15 HD22 LEU 15 -2.443 4.521 5.181 124 HD23 LEU 15 HD23 LEU 15 -1.508 3.031 5.291 125 H LEU 16 HN LEU 16 -1.277 0.322 0.579 126 HA LEU 16 HA LEU 16 1.072 -0.993 1.524 127 HB2 LEU 16 HB2 LEU 16 -1.236 -1.905 0.816 128 HB3 LEU 16 HB3 LEU 16 -0.628 -1.822 -0.837 129 HG LEU 16 HG LEU 16 1.291 -3.108 0.944 130 HD11 LEU 16 HD11 LEU 16 -1.462 -4.352 0.651 131 HD12 LEU 16 HD12 LEU 16 -0.711 -3.830 2.159 132 HD13 LEU 16 HD13 LEU 16 -0.036 -5.190 1.261 133 HD21 LEU 16 HD21 LEU 16 1.406 -4.681 -0.853 134 HD22 LEU 16 HD22 LEU 16 1.127 -3.115 -1.613 135 HD23 LEU 16 HD23 LEU 16 -0.207 -4.253 -1.425 136 H LEU 17 HN LEU 17 0.252 0.337 -1.643 137 HA LEU 17 HA LEU 17 2.570 -0.501 -3.079 138 HB2 LEU 17 HB2 LEU 17 0.319 0.607 -3.811 139 HB3 LEU 17 HB3 LEU 17 1.157 2.128 -3.501 140 HG LEU 17 HG LEU 17 2.672 0.153 -5.107 141 HD11 LEU 17 HD11 LEU 17 0.398 1.678 -6.391 142 HD12 LEU 17 HD12 LEU 17 0.244 -0.007 -5.897 143 HD13 LEU 17 HD13 LEU 17 1.428 0.447 -7.122 144 HD21 LEU 17 HD21 LEU 17 2.049 3.053 -5.696 145 HD22 LEU 17 HD22 LEU 17 3.454 2.113 -6.201 146 HD23 LEU 17 HD23 LEU 17 3.273 2.590 -4.513 147 H LEU 18 HN LEU 18 1.953 2.259 -0.996 148 HA LEU 18 HA LEU 18 4.467 3.620 -1.500 149 HB2 LEU 18 HB2 LEU 18 2.174 4.469 -0.577 150 HB3 LEU 18 HB3 LEU 18 2.767 3.878 0.975 151 HG LEU 18 HG LEU 18 4.758 5.470 -0.482 152 HD11 LEU 18 HD11 LEU 18 3.635 7.637 -0.029 153 HD12 LEU 18 HD12 LEU 18 2.172 6.768 0.435 154 HD13 LEU 18 HD13 LEU 18 2.759 6.684 -1.226 155 HD21 LEU 18 HD21 LEU 18 3.530 5.910 2.249 156 HD22 LEU 18 HD22 LEU 18 5.138 6.380 1.697 157 HD23 LEU 18 HD23 LEU 18 4.755 4.678 1.952 158 H ALA 19 HN ALA 19 3.309 1.267 0.851 159 HA ALA 19 HA ALA 19 5.516 1.365 2.685 160 HB1 ALA 19 HB1 ALA 19 3.942 -1.117 1.994 161 HB2 ALA 19 HB2 ALA 19 3.160 0.244 2.799 162 HB3 ALA 19 HB3 ALA 19 4.511 -0.582 3.575 163 H ALA 20 HN ALA 20 4.985 -0.414 -0.345 164 HA ALA 20 HA ALA 20 7.358 -2.077 -0.141 165 HB1 ALA 20 HB1 ALA 20 5.558 -2.804 -1.526 166 HB2 ALA 20 HB2 ALA 20 6.817 -2.309 -2.656 167 HB3 ALA 20 HB3 ALA 20 5.451 -1.241 -2.337 168 H GLY 21 HN GLY 21 6.600 1.003 -1.803 169 HA2 GLY 21 HA2 GLY 21 9.180 1.287 -3.057 170 HA3 GLY 21 HA3 GLY 21 8.014 2.588 -2.809 171 H VAL 22 HN VAL 22 7.786 2.821 -0.123 172 HA VAL 22 HA VAL 22 10.196 4.164 0.682 173 HB VAL 22 HB VAL 22 7.758 3.159 2.194 174 HG11 VAL 22 HG11 VAL 22 10.143 4.766 3.071 175 HG12 VAL 22 HG12 VAL 22 9.268 3.507 3.942 176 HG13 VAL 22 HG13 VAL 22 8.562 5.114 3.772 177 HG21 VAL 22 HG21 VAL 22 7.398 4.858 0.385 178 HG22 VAL 22 HG22 VAL 22 8.514 5.935 1.224 179 HG23 VAL 22 HG23 VAL 22 6.996 5.468 1.991 180 H GLY 23 HN GLY 23 8.946 0.892 1.328 181 HA2 GLY 23 HA2 GLY 23 10.790 0.140 3.367 182 HA3 GLY 23 HA3 GLY 23 9.984 -0.986 2.274 183 H ILE 24 HN ILE 24 10.982 -0.250 -0.193 184 HA ILE 24 HA ILE 24 13.627 -1.424 -0.181 185 HB ILE 24 HB ILE 24 11.875 -0.018 -2.221 186 HG12 ILE 24 HG12 ILE 24 12.860 -2.879 -2.172 187 HG13 ILE 24 HG13 ILE 24 11.414 -2.381 -1.294 188 HG21 ILE 24 HG21 ILE 24 13.554 -0.964 -3.911 189 HG22 ILE 24 HG22 ILE 24 14.669 -1.138 -2.556 190 HG23 ILE 24 HG23 ILE 24 14.080 0.461 -3.013 191 HD11 ILE 24 HD11 ILE 24 10.324 -1.675 -3.315 192 HD12 ILE 24 HD12 ILE 24 10.992 -3.276 -3.634 193 HD13 ILE 24 HD13 ILE 24 11.813 -1.839 -4.247 194 H TYR 25 HN TYR 25 12.432 1.944 -0.330 195 HA TYR 25 HA TYR 25 14.946 3.183 -0.981 196 HB2 TYR 25 HB2 TYR 25 12.496 4.092 -0.911 197 HB3 TYR 25 HB3 TYR 25 12.841 4.417 0.790 198 HD1 TYR 25 HD2 TYR 25 14.594 6.017 1.444 199 HD2 TYR 25 HD1 TYR 25 13.639 5.308 -2.684 200 HE1 TYR 25 HE2 TYR 25 15.829 8.070 0.804 201 HE2 TYR 25 HE1 TYR 25 14.875 7.360 -3.323 202 HH TYR 25 HH TYR 25 17.049 8.760 -1.746 203 H LEU 26 HN LEU 26 13.646 1.853 1.990 204 HA LEU 26 HA LEU 26 15.601 3.162 3.750 205 HB2 LEU 26 HB2 LEU 26 13.238 1.431 3.901 206 HB3 LEU 26 HB3 LEU 26 14.497 0.926 5.026 207 HG LEU 26 HG LEU 26 12.963 2.572 6.061 208 HD11 LEU 26 HD11 LEU 26 14.647 3.908 7.054 209 HD12 LEU 26 HD12 LEU 26 15.621 3.923 5.584 210 HD13 LEU 26 HD13 LEU 26 15.492 2.448 6.542 211 HD21 LEU 26 HD21 LEU 26 12.819 4.839 5.239 212 HD22 LEU 26 HD22 LEU 26 12.466 3.765 3.886 213 HD23 LEU 26 HD23 LEU 26 14.050 4.529 4.015 214 H LEU 27 HN LEU 27 15.322 0.212 1.861 215 HA LEU 27 HA LEU 27 18.037 -0.638 2.815 216 HB2 LEU 27 HB2 LEU 27 15.843 -1.884 3.564 217 HB3 LEU 27 HB3 LEU 27 15.886 -2.549 1.931 218 HG LEU 27 HG LEU 27 18.406 -3.051 2.511 219 HD11 LEU 27 HD11 LEU 27 17.122 -2.935 5.259 220 HD12 LEU 27 HD12 LEU 27 18.360 -1.828 4.664 221 HD13 LEU 27 HD13 LEU 27 18.742 -3.534 4.902 222 HD21 LEU 27 HD21 LEU 27 16.170 -4.652 3.798 223 HD22 LEU 27 HD22 LEU 27 17.751 -5.263 3.309 224 HD23 LEU 27 HD23 LEU 27 16.598 -4.727 2.088 225 HA PRO 28 HA PRO 28 17.694 -0.685 -1.860 226 HB2 PRO 28 HB2 PRO 28 18.601 1.800 -2.565 227 HB3 PRO 28 HB3 PRO 28 16.892 1.435 -2.270 228 HG2 PRO 28 HG2 PRO 28 18.745 3.007 -0.663 229 HG3 PRO 28 HG3 PRO 28 16.985 2.936 -0.605 230 HD2 PRO 28 HD2 PRO 28 18.883 1.641 1.139 231 HD3 PRO 28 HD3 PRO 28 17.120 1.676 1.249 232 H ASN 29 HN ASN 29 20.197 0.833 0.162 233 HA ASN 29 HA ASN 29 22.318 -0.283 -1.635 234 HB2 ASN 29 HB2 ASN 29 22.151 1.995 0.343 235 HB3 ASN 29 HB3 ASN 29 23.708 1.389 -0.221 236 HD21 ASN 29 HD21 ASN 29 24.404 2.041 -2.310 237 HD22 ASN 29 HD22 ASN 29 23.457 2.973 -3.366 238 H ARG 30 HN ARG 30 20.657 -1.243 1.045 239 HA ARG 30 HA ARG 30 23.079 -2.424 2.367 240 HB2 ARG 30 HB2 ARG 30 20.718 -1.002 3.310 241 HB3 ARG 30 HB3 ARG 30 20.869 -2.574 4.094 242 HG2 ARG 30 HG2 ARG 30 23.332 -1.965 4.489 243 HG3 ARG 30 HG3 ARG 30 22.879 -0.319 4.046 244 HD2 ARG 30 HD2 ARG 30 22.631 -0.337 6.405 245 HD3 ARG 30 HD3 ARG 30 20.978 -0.626 5.828 246 HE ARG 30 HE ARG 30 21.245 -2.984 6.347 247 HH11 ARG 30 HH11 ARG 30 22.297 -1.625 8.854 248 HH12 ARG 30 HH12 ARG 30 23.761 -2.505 9.134 249 HH21 ARG 30 HH21 ARG 30 23.858 -3.871 5.938 250 HH22 ARG 30 HH22 ARG 30 24.649 -3.782 7.476 Start of MODEL 4 1 HA HIS 1 HA HIS 1 -18.530 14.603 3.382 2 HB2 HIS 1 HB2 HIS 1 -20.318 14.473 5.740 3 HB3 HIS 1 HB3 HIS 1 -18.670 13.917 6.032 4 HD1 HIS 1 HD1 HIS 1 -20.636 16.941 5.904 5 HD2 HIS 1 HD2 HIS 1 -16.681 15.966 5.011 6 HE1 HIS 1 HE1 HIS 1 -19.353 19.124 5.860 7 H SER 2 HN SER 2 -16.855 13.036 3.777 8 HA SER 2 HA SER 2 -17.622 10.246 4.417 9 HB2 SER 2 HB2 SER 2 -16.578 9.497 2.229 10 HB3 SER 2 HB3 SER 2 -18.089 10.383 2.049 11 HG SER 2 HG SER 2 -15.653 10.975 1.099 12 H VAL 3 HN VAL 3 -15.927 12.065 5.845 13 HA VAL 3 HA VAL 3 -13.211 10.871 5.356 14 HB VAL 3 HB VAL 3 -13.878 13.540 6.644 15 HG11 VAL 3 HG11 VAL 3 -11.410 13.841 5.667 16 HG12 VAL 3 HG12 VAL 3 -11.388 12.086 5.847 17 HG13 VAL 3 HG13 VAL 3 -11.688 13.113 7.249 18 HG21 VAL 3 HG21 VAL 3 -12.898 14.318 4.302 19 HG22 VAL 3 HG22 VAL 3 -14.615 13.949 4.472 20 HG23 VAL 3 HG23 VAL 3 -13.523 12.757 3.767 21 H SER 4 HN SER 4 -15.067 9.471 6.943 22 HA SER 4 HA SER 4 -14.695 10.151 9.773 23 HB2 SER 4 HB2 SER 4 -16.175 8.194 8.109 24 HB3 SER 4 HB3 SER 4 -15.752 7.648 9.729 25 HG SER 4 HG SER 4 -17.754 9.155 9.089 26 H HIS 5 HN HIS 5 -13.518 7.688 7.533 27 HA HIS 5 HA HIS 5 -11.234 7.139 9.382 28 HB2 HIS 5 HB2 HIS 5 -13.495 5.497 8.957 29 HB3 HIS 5 HB3 HIS 5 -12.187 4.743 8.047 30 HD1 HIS 5 HD1 HIS 5 -11.162 2.989 9.489 31 HD2 HIS 5 HD2 HIS 5 -12.098 6.413 11.678 32 HE1 HIS 5 HE1 HIS 5 -10.336 2.580 11.849 33 H ALA 6 HN ALA 6 -11.558 8.608 6.744 34 HA ALA 6 HA ALA 6 -10.458 8.771 4.661 35 HB1 ALA 6 HB1 ALA 6 -8.168 8.409 4.904 36 HB2 ALA 6 HB2 ALA 6 -8.399 6.884 5.760 37 HB3 ALA 6 HB3 ALA 6 -8.673 8.414 6.594 38 H ARG 7 HN ARG 7 -12.460 6.696 4.802 39 HA ARG 7 HA ARG 7 -13.240 4.951 3.420 40 HB2 ARG 7 HB2 ARG 7 -11.313 6.280 1.970 41 HB3 ARG 7 HB3 ARG 7 -10.690 4.631 1.968 42 HG2 ARG 7 HG2 ARG 7 -12.200 4.053 0.406 43 HG3 ARG 7 HG3 ARG 7 -13.509 4.507 1.496 44 HD2 ARG 7 HD2 ARG 7 -13.764 5.848 -0.503 45 HD3 ARG 7 HD3 ARG 7 -13.118 6.928 0.748 46 HE ARG 7 HE ARG 7 -10.804 6.153 -0.276 47 HH11 ARG 7 HH11 ARG 7 -12.183 8.569 -1.480 48 HH12 ARG 7 HH12 ARG 7 -12.127 8.193 -3.170 49 HH21 ARG 7 HH21 ARG 7 -11.399 4.833 -2.664 50 HH22 ARG 7 HH22 ARG 7 -11.686 6.069 -3.842 51 HA PRO 8 HA PRO 8 -11.446 1.691 5.907 52 HB2 PRO 8 HB2 PRO 8 -13.333 -0.206 5.311 53 HB3 PRO 8 HB3 PRO 8 -13.606 1.098 6.483 54 HG2 PRO 8 HG2 PRO 8 -14.496 0.887 3.649 55 HG3 PRO 8 HG3 PRO 8 -15.362 1.514 5.059 56 HD2 PRO 8 HD2 PRO 8 -14.183 3.116 3.208 57 HD3 PRO 8 HD3 PRO 8 -14.376 3.579 4.913 58 H ARG 9 HN ARG 9 -12.302 1.455 2.492 59 HA ARG 9 HA ARG 9 -9.890 -0.130 1.929 60 HB2 ARG 9 HB2 ARG 9 -12.186 -1.486 2.612 61 HB3 ARG 9 HB3 ARG 9 -12.346 -1.397 0.859 62 HG2 ARG 9 HG2 ARG 9 -10.424 -2.649 0.478 63 HG3 ARG 9 HG3 ARG 9 -9.700 -2.194 2.020 64 HD2 ARG 9 HD2 ARG 9 -12.111 -3.586 2.632 65 HD3 ARG 9 HD3 ARG 9 -11.241 -4.545 1.418 66 HE ARG 9 HE ARG 9 -9.232 -4.412 2.900 67 HH11 ARG 9 HH11 ARG 9 -10.333 -2.146 4.615 68 HH12 ARG 9 HH12 ARG 9 -10.751 -2.994 6.067 69 HH21 ARG 9 HH21 ARG 9 -10.624 -6.134 4.580 70 HH22 ARG 9 HH22 ARG 9 -10.914 -5.263 6.047 71 H TRP 10 HN TRP 10 -10.625 -0.937 -0.692 72 HA TRP 10 HA TRP 10 -10.692 -0.051 -2.883 73 HB2 TRP 10 HB2 TRP 10 -13.066 0.333 -1.616 74 HB3 TRP 10 HB3 TRP 10 -12.662 2.002 -2.016 75 HD1 TRP 10 HD1 TRP 10 -13.450 2.733 -4.308 76 HE1 TRP 10 HE1 TRP 10 -13.978 1.568 -6.547 77 HE3 TRP 10 HE3 TRP 10 -12.241 -2.080 -3.104 78 HZ2 TRP 10 HZ2 TRP 10 -13.900 -1.061 -7.677 79 HZ3 TRP 10 HZ3 TRP 10 -12.477 -3.892 -4.778 80 HH2 TRP 10 HH2 TRP 10 -13.304 -3.389 -7.060 81 H PHE 11 HN PHE 11 -8.781 1.149 -0.972 82 HA PHE 11 HA PHE 11 -7.918 3.448 -2.507 83 HB2 PHE 11 HB2 PHE 11 -9.944 4.252 -1.146 84 HB3 PHE 11 HB3 PHE 11 -8.945 4.021 0.288 85 HD1 PHE 11 HD1 PHE 11 -8.906 5.700 -3.065 86 HD2 PHE 11 HD2 PHE 11 -7.518 5.738 1.000 87 HE1 PHE 11 HE1 PHE 11 -7.844 7.907 -3.449 88 HE2 PHE 11 HE2 PHE 11 -6.456 7.946 0.616 89 HZ PHE 11 HZ PHE 11 -6.620 9.031 -1.608 90 H TRP 12 HN TRP 12 -7.846 1.883 0.701 91 HA TRP 12 HA TRP 12 -5.272 2.708 1.546 92 HB2 TRP 12 HB2 TRP 12 -7.216 0.536 2.127 93 HB3 TRP 12 HB3 TRP 12 -5.576 0.298 2.724 94 HD1 TRP 12 HD1 TRP 12 -8.683 2.366 3.243 95 HE1 TRP 12 HE1 TRP 12 -8.376 3.884 5.303 96 HE3 TRP 12 HE3 TRP 12 -3.709 1.638 4.134 97 HZ2 TRP 12 HZ2 TRP 12 -6.289 4.684 7.093 98 HZ3 TRP 12 HZ3 TRP 12 -2.587 2.790 6.020 99 HH2 TRP 12 HH2 TRP 12 -3.870 4.311 7.499 100 H PHE 13 HN PHE 13 -6.131 0.401 -0.899 101 HA PHE 13 HA PHE 13 -3.863 -1.315 -0.870 102 HB2 PHE 13 HB2 PHE 13 -6.127 -0.803 -2.475 103 HB3 PHE 13 HB3 PHE 13 -4.737 -0.653 -3.549 104 HD1 PHE 13 HD1 PHE 13 -6.187 -2.887 -0.917 105 HD2 PHE 13 HD2 PHE 13 -3.695 -2.574 -4.402 106 HE1 PHE 13 HE1 PHE 13 -5.972 -5.358 -0.984 107 HE2 PHE 13 HE2 PHE 13 -3.480 -5.044 -4.470 108 HZ PHE 13 HZ PHE 13 -4.618 -6.435 -2.762 109 H SER 14 HN SER 14 -4.327 1.890 -2.272 110 HA SER 14 HA SER 14 -1.826 2.060 -3.685 111 HB2 SER 14 HB2 SER 14 -3.740 4.080 -2.497 112 HB3 SER 14 HB3 SER 14 -2.333 4.558 -3.444 113 HG SER 14 HG SER 14 -4.572 4.081 -4.459 114 H LEU 15 HN LEU 15 -2.818 2.790 -0.393 115 HA LEU 15 HA LEU 15 -0.386 4.037 0.513 116 HB2 LEU 15 HB2 LEU 15 -2.677 4.062 1.595 117 HB3 LEU 15 HB3 LEU 15 -2.421 2.383 2.055 118 HG LEU 15 HG LEU 15 -1.874 4.213 3.803 119 HD11 LEU 15 HD11 LEU 15 0.564 2.579 3.499 120 HD12 LEU 15 HD12 LEU 15 -0.943 1.667 3.413 121 HD13 LEU 15 HD13 LEU 15 -0.587 2.651 4.833 122 HD21 LEU 15 HD21 LEU 15 0.177 5.375 3.612 123 HD22 LEU 15 HD22 LEU 15 -0.537 5.517 2.005 124 HD23 LEU 15 HD23 LEU 15 0.743 4.341 2.301 125 H LEU 16 HN LEU 16 -1.543 0.658 0.473 126 HA LEU 16 HA LEU 16 0.680 -0.517 1.849 127 HB2 LEU 16 HB2 LEU 16 -1.615 -1.493 1.323 128 HB3 LEU 16 HB3 LEU 16 -1.050 -1.725 -0.329 129 HG LEU 16 HG LEU 16 -0.865 -3.717 1.336 130 HD11 LEU 16 HD11 LEU 16 0.636 -4.592 -0.123 131 HD12 LEU 16 HD12 LEU 16 1.810 -3.309 0.163 132 HD13 LEU 16 HD13 LEU 16 0.473 -3.047 -0.957 133 HD21 LEU 16 HD21 LEU 16 1.034 -3.759 2.782 134 HD22 LEU 16 HD22 LEU 16 0.245 -2.214 3.091 135 HD23 LEU 16 HD23 LEU 16 1.692 -2.279 2.084 136 H LEU 17 HN LEU 17 0.070 0.166 -1.559 137 HA LEU 17 HA LEU 17 2.379 -1.097 -2.674 138 HB2 LEU 17 HB2 LEU 17 0.210 0.024 -3.693 139 HB3 LEU 17 HB3 LEU 17 1.232 1.461 -3.752 140 HG LEU 17 HG LEU 17 2.963 -0.274 -4.821 141 HD11 LEU 17 HD11 LEU 17 1.474 -2.212 -4.599 142 HD12 LEU 17 HD12 LEU 17 1.736 -1.847 -6.304 143 HD13 LEU 17 HD13 LEU 17 0.225 -1.379 -5.525 144 HD21 LEU 17 HD21 LEU 17 0.675 0.790 -6.492 145 HD22 LEU 17 HD22 LEU 17 2.366 0.611 -6.958 146 HD23 LEU 17 HD23 LEU 17 1.899 1.850 -5.792 147 H LEU 18 HN LEU 18 1.871 2.031 -1.178 148 HA LEU 18 HA LEU 18 4.476 3.136 -1.845 149 HB2 LEU 18 HB2 LEU 18 2.196 4.257 -1.194 150 HB3 LEU 18 HB3 LEU 18 2.739 3.985 0.462 151 HG LEU 18 HG LEU 18 4.967 5.092 -0.371 152 HD11 LEU 18 HD11 LEU 18 2.928 6.061 -2.396 153 HD12 LEU 18 HD12 LEU 18 4.419 5.183 -2.737 154 HD13 LEU 18 HD13 LEU 18 4.488 6.832 -2.117 155 HD21 LEU 18 HD21 LEU 18 4.033 7.329 0.203 156 HD22 LEU 18 HD22 LEU 18 3.494 6.078 1.321 157 HD23 LEU 18 HD23 LEU 18 2.406 6.663 0.063 158 H ALA 19 HN ALA 19 3.120 1.282 0.809 159 HA ALA 19 HA ALA 19 5.167 1.637 2.769 160 HB1 ALA 19 HB1 ALA 19 2.840 0.527 2.897 161 HB2 ALA 19 HB2 ALA 19 4.138 -0.254 3.800 162 HB3 ALA 19 HB3 ALA 19 3.624 -0.914 2.248 163 H ALA 20 HN ALA 20 4.862 -0.714 0.091 164 HA ALA 20 HA ALA 20 7.200 -2.266 0.672 165 HB1 ALA 20 HB1 ALA 20 5.829 -1.588 -1.954 166 HB2 ALA 20 HB2 ALA 20 5.397 -2.919 -0.881 167 HB3 ALA 20 HB3 ALA 20 6.951 -2.927 -1.713 168 H GLY 21 HN GLY 21 6.728 0.704 -1.253 169 HA2 GLY 21 HA2 GLY 21 9.411 0.859 -2.274 170 HA3 GLY 21 HA3 GLY 21 8.283 2.211 -2.163 171 H VAL 22 HN VAL 22 7.858 2.119 0.672 172 HA VAL 22 HA VAL 22 10.036 3.714 1.630 173 HB VAL 22 HB VAL 22 7.815 2.167 3.014 174 HG11 VAL 22 HG11 VAL 22 9.496 2.587 4.687 175 HG12 VAL 22 HG12 VAL 22 8.245 3.810 4.899 176 HG13 VAL 22 HG13 VAL 22 9.758 4.227 4.095 177 HG21 VAL 22 HG21 VAL 22 7.419 4.143 1.323 178 HG22 VAL 22 HG22 VAL 22 7.975 5.151 2.659 179 HG23 VAL 22 HG23 VAL 22 6.549 4.131 2.858 180 H GLY 23 HN GLY 23 9.265 0.248 2.066 181 HA2 GLY 23 HA2 GLY 23 11.385 -0.349 3.902 182 HA3 GLY 23 HA3 GLY 23 10.580 -1.526 2.864 183 H ILE 24 HN ILE 24 11.193 -0.581 0.335 184 HA ILE 24 HA ILE 24 13.910 -1.495 -0.043 185 HB ILE 24 HB ILE 24 11.956 0.018 -1.825 186 HG12 ILE 24 HG12 ILE 24 11.099 -2.156 -1.084 187 HG13 ILE 24 HG13 ILE 24 11.548 -2.249 -2.786 188 HG21 ILE 24 HG21 ILE 24 13.366 -1.024 -3.676 189 HG22 ILE 24 HG22 ILE 24 14.574 -1.373 -2.441 190 HG23 ILE 24 HG23 ILE 24 14.129 0.297 -2.792 191 HD11 ILE 24 HD11 ILE 24 13.905 -2.952 -1.590 192 HD12 ILE 24 HD12 ILE 24 12.693 -4.109 -2.138 193 HD13 ILE 24 HD13 ILE 24 12.736 -3.612 -0.446 194 H TYR 25 HN TYR 25 12.427 1.737 0.231 195 HA TYR 25 HA TYR 25 14.679 3.289 -0.630 196 HB2 TYR 25 HB2 TYR 25 12.373 4.140 -0.315 197 HB3 TYR 25 HB3 TYR 25 12.525 3.891 1.426 198 HD1 TYR 25 HD2 TYR 25 13.942 5.760 -1.469 199 HD2 TYR 25 HD1 TYR 25 13.664 5.458 2.807 200 HE1 TYR 25 HE2 TYR 25 15.050 7.966 -1.241 201 HE2 TYR 25 HE1 TYR 25 14.774 7.663 3.035 202 HH TYR 25 HH TYR 25 14.930 9.832 1.252 203 H LEU 26 HN LEU 26 14.001 1.568 2.349 204 HA LEU 26 HA LEU 26 16.072 2.926 3.930 205 HB2 LEU 26 HB2 LEU 26 13.951 0.920 4.244 206 HB3 LEU 26 HB3 LEU 26 15.413 0.495 5.133 207 HG LEU 26 HG LEU 26 15.321 3.047 5.855 208 HD11 LEU 26 HD11 LEU 26 13.375 3.569 4.417 209 HD12 LEU 26 HD12 LEU 26 12.998 3.820 6.121 210 HD13 LEU 26 HD13 LEU 26 12.416 2.376 5.292 211 HD21 LEU 26 HD21 LEU 26 13.628 0.789 6.960 212 HD22 LEU 26 HD22 LEU 26 13.865 2.317 7.809 213 HD23 LEU 26 HD23 LEU 26 15.244 1.270 7.475 214 H LEU 27 HN LEU 27 15.813 0.151 1.789 215 HA LEU 27 HA LEU 27 18.710 -0.466 2.275 216 HB2 LEU 27 HB2 LEU 27 16.784 -2.026 3.170 217 HB3 LEU 27 HB3 LEU 27 16.671 -2.535 1.483 218 HG LEU 27 HG LEU 27 19.446 -2.433 2.336 219 HD11 LEU 27 HD11 LEU 27 19.274 -4.396 3.908 220 HD12 LEU 27 HD12 LEU 27 17.532 -4.123 3.971 221 HD13 LEU 27 HD13 LEU 27 18.640 -2.890 4.572 222 HD21 LEU 27 HD21 LEU 27 17.550 -4.558 1.306 223 HD22 LEU 27 HD22 LEU 27 19.250 -4.889 1.642 224 HD23 LEU 27 HD23 LEU 27 18.809 -3.706 0.413 225 HA PRO 28 HA PRO 28 17.706 -0.133 -2.292 226 HB2 PRO 28 HB2 PRO 28 18.171 2.506 -2.842 227 HB3 PRO 28 HB3 PRO 28 16.584 1.883 -2.354 228 HG2 PRO 28 HG2 PRO 28 18.447 3.551 -0.860 229 HG3 PRO 28 HG3 PRO 28 16.738 3.227 -0.565 230 HD2 PRO 28 HD2 PRO 28 19.037 2.060 0.736 231 HD3 PRO 28 HD3 PRO 28 17.323 1.849 1.112 232 H ASN 29 HN ASN 29 20.282 1.083 -0.288 233 HA ASN 29 HA ASN 29 22.253 1.303 -2.466 234 HB2 ASN 29 HB2 ASN 29 22.648 1.294 0.544 235 HB3 ASN 29 HB3 ASN 29 23.715 2.001 -0.670 236 HD21 ASN 29 HD21 ASN 29 22.760 3.888 -1.951 237 HD22 ASN 29 HD22 ASN 29 21.619 4.883 -1.185 238 H ARG 30 HN ARG 30 21.424 -0.991 0.129 239 HA ARG 30 HA ARG 30 22.057 -3.231 0.475 240 HB2 ARG 30 HB2 ARG 30 21.591 -2.864 -2.183 241 HB3 ARG 30 HB3 ARG 30 23.263 -3.421 -2.233 242 HG2 ARG 30 HG2 ARG 30 22.734 -5.467 -1.161 243 HG3 ARG 30 HG3 ARG 30 21.167 -4.870 -0.614 244 HD2 ARG 30 HD2 ARG 30 20.695 -6.304 -2.484 245 HD3 ARG 30 HD3 ARG 30 20.563 -4.650 -3.116 246 HE ARG 30 HE ARG 30 22.761 -4.907 -4.136 247 HH11 ARG 30 HH21 ARG 30 21.536 -7.319 -5.264 248 HH12 ARG 30 HH22 ARG 30 22.637 -8.578 -4.813 249 HH21 ARG 30 HH11 ARG 30 24.203 -6.685 -2.352 250 HH22 ARG 30 HH12 ARG 30 24.153 -8.217 -3.157 Start of MODEL 5 1 HA HIS 1 HA HIS 1 -9.502 14.233 -11.525 2 HB2 HIS 1 HB2 HIS 1 -7.245 15.292 -11.609 3 HB3 HIS 1 HB3 HIS 1 -7.948 16.793 -11.011 4 HD1 HIS 1 HD1 HIS 1 -6.330 16.477 -8.897 5 HD2 HIS 1 HD2 HIS 1 -9.338 13.616 -9.278 6 HE1 HIS 1 HE1 HIS 1 -6.487 15.298 -6.661 7 H SER 2 HN SER 2 -11.214 14.261 -10.122 8 HA SER 2 HA SER 2 -12.320 16.884 -9.214 9 HB2 SER 2 HB2 SER 2 -13.775 14.564 -10.506 10 HB3 SER 2 HB3 SER 2 -14.603 15.870 -9.662 11 HG SER 2 HG SER 2 -14.341 17.040 -11.378 12 H VAL 3 HN VAL 3 -14.017 13.918 -8.654 13 HA VAL 3 HA VAL 3 -12.918 13.791 -5.869 14 HB VAL 3 HB VAL 3 -15.264 13.210 -5.195 15 HG11 VAL 3 HG11 VAL 3 -14.264 15.595 -5.285 16 HG12 VAL 3 HG12 VAL 3 -16.017 15.449 -5.157 17 HG13 VAL 3 HG13 VAL 3 -15.274 15.818 -6.714 18 HG21 VAL 3 HG21 VAL 3 -17.077 13.394 -6.734 19 HG22 VAL 3 HG22 VAL 3 -15.863 12.420 -7.565 20 HG23 VAL 3 HG23 VAL 3 -16.055 14.127 -7.969 21 H SER 4 HN SER 4 -12.866 12.153 -8.664 22 HA SER 4 HA SER 4 -13.505 9.468 -7.576 23 HB2 SER 4 HB2 SER 4 -14.329 10.051 -9.796 24 HB3 SER 4 HB3 SER 4 -12.708 10.513 -10.310 25 HG SER 4 HG SER 4 -13.654 8.253 -10.746 26 H HIS 5 HN HIS 5 -10.793 11.445 -8.598 27 HA HIS 5 HA HIS 5 -8.889 9.214 -8.040 28 HB2 HIS 5 HB2 HIS 5 -8.585 11.918 -9.384 29 HB3 HIS 5 HB3 HIS 5 -7.290 10.737 -9.214 30 HD1 HIS 5 HD1 HIS 5 -7.217 8.837 -10.892 31 HD2 HIS 5 HD2 HIS 5 -10.771 11.007 -11.106 32 HE1 HIS 5 HE1 HIS 5 -8.448 7.995 -12.939 33 H ALA 6 HN ALA 6 -10.360 11.430 -6.190 34 HA ALA 6 HA ALA 6 -7.886 12.241 -4.704 35 HB1 ALA 6 HB1 ALA 6 -10.699 13.387 -4.748 36 HB2 ALA 6 HB2 ALA 6 -9.304 14.055 -5.595 37 HB3 ALA 6 HB3 ALA 6 -9.346 14.051 -3.832 38 H ARG 7 HN ARG 7 -9.786 9.701 -4.582 39 HA ARG 7 HA ARG 7 -9.715 9.504 -1.633 40 HB2 ARG 7 HB2 ARG 7 -11.888 10.631 -2.453 41 HB3 ARG 7 HB3 ARG 7 -12.306 9.061 -3.139 42 HG2 ARG 7 HG2 ARG 7 -13.311 9.022 -1.003 43 HG3 ARG 7 HG3 ARG 7 -11.813 8.121 -0.777 44 HD2 ARG 7 HD2 ARG 7 -11.364 10.970 -0.376 45 HD3 ARG 7 HD3 ARG 7 -12.632 10.362 0.707 46 HE ARG 7 HE ARG 7 -10.179 8.714 0.462 47 HH11 ARG 7 HH21 ARG 7 -12.298 8.599 2.680 48 HH12 ARG 7 HH22 ARG 7 -11.439 9.339 3.989 49 HH21 ARG 7 HH11 ARG 7 -8.972 10.693 1.949 50 HH22 ARG 7 HH12 ARG 7 -9.550 10.530 3.573 51 HA PRO 8 HA PRO 8 -9.021 5.611 -4.120 52 HB2 PRO 8 HB2 PRO 8 -6.477 5.091 -3.243 53 HB3 PRO 8 HB3 PRO 8 -6.834 6.090 -4.664 54 HG2 PRO 8 HG2 PRO 8 -6.072 6.918 -1.917 55 HG3 PRO 8 HG3 PRO 8 -5.653 7.644 -3.475 56 HD2 PRO 8 HD2 PRO 8 -7.579 8.619 -1.769 57 HD3 PRO 8 HD3 PRO 8 -7.530 8.930 -3.518 58 H ARG 9 HN ARG 9 -6.921 5.249 -1.308 59 HA ARG 9 HA ARG 9 -7.006 3.634 0.431 60 HB2 ARG 9 HB2 ARG 9 -8.688 4.300 2.025 61 HB3 ARG 9 HB3 ARG 9 -8.111 5.735 1.190 62 HG2 ARG 9 HG2 ARG 9 -10.089 5.941 -0.078 63 HG3 ARG 9 HG3 ARG 9 -10.569 4.273 0.235 64 HD2 ARG 9 HD2 ARG 9 -11.169 4.756 2.492 65 HD3 ARG 9 HD3 ARG 9 -10.340 6.326 2.453 66 HE ARG 9 HE ARG 9 -12.074 7.145 0.927 67 HH11 ARG 9 HH21 ARG 9 -13.266 5.377 3.335 68 HH12 ARG 9 HH22 ARG 9 -14.635 4.715 2.505 69 HH21 ARG 9 HH11 ARG 9 -13.541 5.705 -0.642 70 HH22 ARG 9 HH12 ARG 9 -14.796 4.910 0.249 71 H TRP 10 HN TRP 10 -8.166 2.599 -2.138 72 HA TRP 10 HA TRP 10 -10.503 0.975 -1.510 73 HB2 TRP 10 HB2 TRP 10 -8.471 1.267 -3.667 74 HB3 TRP 10 HB3 TRP 10 -9.180 -0.340 -3.525 75 HD1 TRP 10 HD1 TRP 10 -11.943 -0.420 -3.576 76 HE1 TRP 10 HE1 TRP 10 -13.580 1.026 -4.948 77 HE3 TRP 10 HE3 TRP 10 -8.893 3.509 -4.731 78 HZ2 TRP 10 HZ2 TRP 10 -13.592 3.521 -6.349 79 HZ3 TRP 10 HZ3 TRP 10 -9.742 5.405 -6.084 80 HH2 TRP 10 HH2 TRP 10 -12.085 5.415 -6.893 81 H PHE 11 HN PHE 11 -9.926 0.081 0.573 82 HA PHE 11 HA PHE 11 -8.954 -1.519 2.021 83 HB2 PHE 11 HB2 PHE 11 -9.259 -2.725 -0.461 84 HB3 PHE 11 HB3 PHE 11 -7.534 -2.935 -0.158 85 HD1 PHE 11 HD1 PHE 11 -10.936 -3.700 1.055 86 HD2 PHE 11 HD2 PHE 11 -6.729 -4.305 1.683 87 HE1 PHE 11 HE1 PHE 11 -11.436 -5.543 2.637 88 HE2 PHE 11 HE2 PHE 11 -7.230 -6.148 3.264 89 HZ PHE 11 HZ PHE 11 -9.583 -6.767 3.741 90 H TRP 12 HN TRP 12 -7.660 0.976 0.958 91 HA TRP 12 HA TRP 12 -5.611 2.106 0.905 92 HB2 TRP 12 HB2 TRP 12 -5.446 0.070 3.101 93 HB3 TRP 12 HB3 TRP 12 -4.112 1.181 2.809 94 HD1 TRP 12 HD1 TRP 12 -4.833 3.867 2.772 95 HE1 TRP 12 HE1 TRP 12 -6.544 5.089 4.266 96 HE3 TRP 12 HE3 TRP 12 -7.556 -0.118 4.435 97 HZ2 TRP 12 HZ2 TRP 12 -8.775 4.458 5.941 98 HZ3 TRP 12 HZ3 TRP 12 -9.469 0.220 5.973 99 HH2 TRP 12 HH2 TRP 12 -10.080 2.501 6.727 100 H PHE 13 HN PHE 13 -5.846 0.232 -1.133 101 HA PHE 13 HA PHE 13 -3.598 -1.564 -1.342 102 HB2 PHE 13 HB2 PHE 13 -5.842 -1.534 -2.590 103 HB3 PHE 13 HB3 PHE 13 -5.163 -0.233 -3.568 104 HD1 PHE 13 HD1 PHE 13 -4.834 -3.800 -2.635 105 HD2 PHE 13 HD2 PHE 13 -3.444 -0.657 -5.211 106 HE1 PHE 13 HE1 PHE 13 -3.667 -5.474 -4.048 107 HE2 PHE 13 HE2 PHE 13 -2.278 -2.330 -6.625 108 HZ PHE 13 HZ PHE 13 -2.389 -4.738 -6.042 109 H SER 14 HN SER 14 -4.237 1.705 -2.561 110 HA SER 14 HA SER 14 -1.691 2.100 -3.851 111 HB2 SER 14 HB2 SER 14 -3.941 3.400 -4.016 112 HB3 SER 14 HB3 SER 14 -3.391 4.250 -2.576 113 HG SER 14 HG SER 14 -2.591 5.441 -4.202 114 H LEU 15 HN LEU 15 -2.887 2.577 -0.593 115 HA LEU 15 HA LEU 15 -0.644 4.010 0.507 116 HB2 LEU 15 HB2 LEU 15 -2.966 3.781 1.457 117 HB3 LEU 15 HB3 LEU 15 -2.607 2.095 1.821 118 HG LEU 15 HG LEU 15 -0.502 3.827 2.819 119 HD11 LEU 15 HD11 LEU 15 -3.221 4.270 4.067 120 HD12 LEU 15 HD12 LEU 15 -2.529 5.389 2.893 121 HD13 LEU 15 HD13 LEU 15 -1.711 5.106 4.430 122 HD21 LEU 15 HD21 LEU 15 -0.783 2.505 4.776 123 HD22 LEU 15 HD22 LEU 15 -1.194 1.421 3.446 124 HD23 LEU 15 HD23 LEU 15 -2.474 2.167 4.401 125 H LEU 16 HN LEU 16 -1.470 0.533 0.317 126 HA LEU 16 HA LEU 16 0.785 -0.465 1.775 127 HB2 LEU 16 HB2 LEU 16 -1.438 -1.575 0.993 128 HB3 LEU 16 HB3 LEU 16 -0.582 -1.871 -0.520 129 HG LEU 16 HG LEU 16 0.875 -2.611 1.964 130 HD11 LEU 16 HD11 LEU 16 -1.498 -4.199 0.933 131 HD12 LEU 16 HD12 LEU 16 -1.405 -3.381 2.493 132 HD13 LEU 16 HD13 LEU 16 -0.350 -4.752 2.152 133 HD21 LEU 16 HD21 LEU 16 1.016 -4.724 0.281 134 HD22 LEU 16 HD22 LEU 16 2.066 -3.317 0.131 135 HD23 LEU 16 HD23 LEU 16 0.628 -3.456 -0.881 136 H LEU 17 HN LEU 17 0.293 0.212 -1.655 137 HA LEU 17 HA LEU 17 2.771 -0.817 -2.643 138 HB2 LEU 17 HB2 LEU 17 0.584 0.048 -3.809 139 HB3 LEU 17 HB3 LEU 17 1.388 1.618 -3.755 140 HG LEU 17 HG LEU 17 3.055 -0.629 -4.733 141 HD11 LEU 17 HD11 LEU 17 2.034 -0.760 -6.901 142 HD12 LEU 17 HD12 LEU 17 0.898 0.532 -6.512 143 HD13 LEU 17 HD13 LEU 17 0.751 -1.038 -5.723 144 HD21 LEU 17 HD21 LEU 17 3.454 1.985 -4.622 145 HD22 LEU 17 HD22 LEU 17 2.553 1.977 -6.138 146 HD23 LEU 17 HD23 LEU 17 4.051 1.057 -5.998 147 H LEU 18 HN LEU 18 1.890 2.212 -1.129 148 HA LEU 18 HA LEU 18 4.381 3.605 -1.673 149 HB2 LEU 18 HB2 LEU 18 1.995 4.480 -1.074 150 HB3 LEU 18 HB3 LEU 18 2.471 4.163 0.595 151 HG LEU 18 HG LEU 18 4.599 5.534 0.029 152 HD11 LEU 18 HD11 LEU 18 4.364 5.640 -2.375 153 HD12 LEU 18 HD12 LEU 18 4.130 7.270 -1.744 154 HD13 LEU 18 HD13 LEU 18 2.738 6.307 -2.236 155 HD21 LEU 18 HD21 LEU 18 3.421 7.640 0.553 156 HD22 LEU 18 HD22 LEU 18 2.784 6.313 1.523 157 HD23 LEU 18 HD23 LEU 18 1.883 6.892 0.122 158 H ALA 19 HN ALA 19 3.078 1.687 0.989 159 HA ALA 19 HA ALA 19 5.177 2.125 2.898 160 HB1 ALA 19 HB1 ALA 19 4.146 0.298 4.040 161 HB2 ALA 19 HB2 ALA 19 3.567 -0.413 2.533 162 HB3 ALA 19 HB3 ALA 19 2.835 1.070 3.146 163 H ALA 20 HN ALA 20 4.755 -0.291 0.305 164 HA ALA 20 HA ALA 20 7.057 -1.898 0.876 165 HB1 ALA 20 HB1 ALA 20 6.759 -2.517 -1.560 166 HB2 ALA 20 HB2 ALA 20 5.550 -1.239 -1.676 167 HB3 ALA 20 HB3 ALA 20 5.276 -2.618 -0.611 168 H GLY 21 HN GLY 21 6.623 1.023 -1.134 169 HA2 GLY 21 HA2 GLY 21 9.284 1.089 -2.208 170 HA3 GLY 21 HA3 GLY 21 8.198 2.476 -2.095 171 H VAL 22 HN VAL 22 7.844 2.451 0.751 172 HA VAL 22 HA VAL 22 10.086 4.000 1.628 173 HB VAL 22 HB VAL 22 7.931 2.499 3.166 174 HG11 VAL 22 HG11 VAL 22 9.701 4.815 4.018 175 HG12 VAL 22 HG12 VAL 22 9.813 3.160 4.620 176 HG13 VAL 22 HG13 VAL 22 8.381 4.128 4.966 177 HG21 VAL 22 HG21 VAL 22 7.697 4.611 1.354 178 HG22 VAL 22 HG22 VAL 22 7.708 5.405 2.929 179 HG23 VAL 22 HG23 VAL 22 6.510 4.159 2.578 180 H GLY 23 HN GLY 23 9.222 0.572 2.192 181 HA2 GLY 23 HA2 GLY 23 11.395 -0.048 3.949 182 HA3 GLY 23 HA3 GLY 23 10.508 -1.225 2.980 183 H ILE 24 HN ILE 24 11.079 -0.227 0.398 184 HA ILE 24 HA ILE 24 13.698 -1.353 -0.085 185 HB ILE 24 HB ILE 24 11.775 0.317 -1.750 186 HG12 ILE 24 HG12 ILE 24 10.920 -1.886 -1.030 187 HG13 ILE 24 HG13 ILE 24 11.214 -1.866 -2.767 188 HG21 ILE 24 HG21 ILE 24 13.851 0.598 -2.850 189 HG22 ILE 24 HG22 ILE 24 13.107 -0.767 -3.682 190 HG23 ILE 24 HG23 ILE 24 14.367 -1.048 -2.480 191 HD11 ILE 24 HD11 ILE 24 13.544 -2.828 -2.196 192 HD12 ILE 24 HD12 ILE 24 12.161 -3.912 -2.042 193 HD13 ILE 24 HD13 ILE 24 12.866 -3.174 -0.604 194 H TYR 25 HN TYR 25 12.492 2.000 0.224 195 HA TYR 25 HA TYR 25 14.883 3.333 -0.639 196 HB2 TYR 25 HB2 TYR 25 12.477 4.199 -0.128 197 HB3 TYR 25 HB3 TYR 25 13.049 4.337 1.536 198 HD1 TYR 25 HD1 TYR 25 14.827 5.910 2.140 199 HD2 TYR 25 HD2 TYR 25 13.415 5.595 -1.906 200 HE1 TYR 25 HE1 TYR 25 15.963 8.040 1.576 201 HE2 TYR 25 HE2 TYR 25 14.549 7.726 -2.468 202 HH TYR 25 HH TYR 25 15.345 9.925 -0.632 203 H LEU 26 HN LEU 26 14.008 1.728 2.361 204 HA LEU 26 HA LEU 26 16.209 2.869 3.931 205 HB2 LEU 26 HB2 LEU 26 14.229 0.595 4.276 206 HB3 LEU 26 HB3 LEU 26 15.438 0.990 5.497 207 HG LEU 26 HG LEU 26 13.722 3.203 4.436 208 HD11 LEU 26 HD11 LEU 26 12.180 1.295 4.958 209 HD12 LEU 26 HD12 LEU 26 11.947 2.690 6.011 210 HD13 LEU 26 HD13 LEU 26 12.824 1.278 6.599 211 HD21 LEU 26 HD21 LEU 26 14.043 4.059 6.700 212 HD22 LEU 26 HD22 LEU 26 15.607 3.576 6.043 213 HD23 LEU 26 HD23 LEU 26 14.778 2.537 7.204 214 H LEU 27 HN LEU 27 15.728 0.200 1.724 215 HA LEU 27 HA LEU 27 18.539 -0.707 2.211 216 HB2 LEU 27 HB2 LEU 27 16.536 -2.082 3.205 217 HB3 LEU 27 HB3 LEU 27 16.285 -2.590 1.535 218 HG LEU 27 HG LEU 27 18.926 -3.014 1.669 219 HD11 LEU 27 HD11 LEU 27 19.522 -3.911 3.895 220 HD12 LEU 27 HD12 LEU 27 17.951 -3.404 4.516 221 HD13 LEU 27 HD13 LEU 27 19.122 -2.196 3.984 222 HD21 LEU 27 HD21 LEU 27 17.053 -4.655 1.190 223 HD22 LEU 27 HD22 LEU 27 16.963 -4.952 2.925 224 HD23 LEU 27 HD23 LEU 27 18.435 -5.345 2.038 225 HA PRO 28 HA PRO 28 17.460 -0.342 -2.322 226 HB2 PRO 28 HB2 PRO 28 18.254 2.214 -2.913 227 HB3 PRO 28 HB3 PRO 28 16.615 1.800 -2.377 228 HG2 PRO 28 HG2 PRO 28 18.699 3.242 -0.953 229 HG3 PRO 28 HG3 PRO 28 16.980 3.101 -0.589 230 HD2 PRO 28 HD2 PRO 28 19.202 1.673 0.603 231 HD3 PRO 28 HD3 PRO 28 17.502 1.691 1.087 232 H ASN 29 HN ASN 29 20.277 0.596 -0.460 233 HA ASN 29 HA ASN 29 22.111 0.296 -2.778 234 HB2 ASN 29 HB2 ASN 29 22.209 2.086 -0.925 235 HB3 ASN 29 HB3 ASN 29 22.788 0.796 0.128 236 HD21 ASN 29 HD21 ASN 29 24.861 -0.290 -0.522 237 HD22 ASN 29 HD22 ASN 29 25.972 0.551 -1.490 238 H ARG 30 HN ARG 30 21.278 -1.309 0.291 239 HA ARG 30 HA ARG 30 23.245 -3.474 -0.220 240 HB2 ARG 30 HB2 ARG 30 22.861 -2.318 2.015 241 HB3 ARG 30 HB3 ARG 30 21.280 -3.099 2.060 242 HG2 ARG 30 HG2 ARG 30 23.658 -4.823 1.517 243 HG3 ARG 30 HG3 ARG 30 23.428 -4.239 3.166 244 HD2 ARG 30 HD2 ARG 30 20.916 -5.047 2.723 245 HD3 ARG 30 HD3 ARG 30 21.735 -6.127 1.576 246 HE ARG 30 HE ARG 30 22.223 -6.049 4.513 247 HH11 ARG 30 HH11 ARG 30 24.728 -6.569 2.909 248 HH12 ARG 30 HH12 ARG 30 24.735 -8.298 2.815 249 HH21 ARG 30 HH21 ARG 30 21.395 -8.618 3.727 250 HH22 ARG 30 HH22 ARG 30 22.839 -9.464 3.280 Start of MODEL 6 1 HA HIS 1 HA HIS 1 -19.353 -4.061 5.658 2 HB2 HIS 1 HB2 HIS 1 -17.230 -6.197 5.360 3 HB3 HIS 1 HB3 HIS 1 -18.220 -6.079 6.813 4 HD1 HIS 1 HD1 HIS 1 -18.320 -7.149 3.259 5 HD2 HIS 1 HD2 HIS 1 -21.051 -6.539 6.351 6 HE1 HIS 1 HE1 HIS 1 -20.491 -8.227 2.523 7 H SER 2 HN SER 2 -18.994 -2.640 7.301 8 HA SER 2 HA SER 2 -17.899 -1.253 8.846 9 HB2 SER 2 HB2 SER 2 -16.587 -2.488 10.319 10 HB3 SER 2 HB3 SER 2 -17.407 -3.778 9.451 11 HG SER 2 HG SER 2 -15.291 -4.310 9.372 12 H VAL 3 HN VAL 3 -17.186 -0.764 6.045 13 HA VAL 3 HA VAL 3 -14.336 0.134 6.362 14 HB VAL 3 HB VAL 3 -15.888 -0.382 3.802 15 HG11 VAL 3 HG11 VAL 3 -14.028 0.985 3.297 16 HG12 VAL 3 HG12 VAL 3 -13.438 -0.648 2.990 17 HG13 VAL 3 HG13 VAL 3 -13.002 0.181 4.484 18 HG21 VAL 3 HG21 VAL 3 -15.745 -2.566 4.458 19 HG22 VAL 3 HG22 VAL 3 -14.510 -2.225 5.667 20 HG23 VAL 3 HG23 VAL 3 -14.059 -2.405 3.971 21 H SER 4 HN SER 4 -16.873 1.566 7.199 22 HA SER 4 HA SER 4 -17.483 3.672 5.346 23 HB2 SER 4 HB2 SER 4 -17.916 2.997 8.195 24 HB3 SER 4 HB3 SER 4 -17.995 4.715 7.816 25 HG SER 4 HG SER 4 -19.723 4.379 6.601 26 H HIS 5 HN HIS 5 -15.115 3.377 7.936 27 HA HIS 5 HA HIS 5 -13.914 6.005 7.128 28 HB2 HIS 5 HB2 HIS 5 -14.720 4.893 9.612 29 HB3 HIS 5 HB3 HIS 5 -12.958 4.923 9.635 30 HD1 HIS 5 HD1 HIS 5 -15.899 7.251 8.998 31 HD2 HIS 5 HD2 HIS 5 -11.865 7.452 10.030 32 HE1 HIS 5 HE1 HIS 5 -15.418 9.679 9.542 33 H ALA 6 HN ALA 6 -13.432 3.411 5.761 34 HA ALA 6 HA ALA 6 -11.638 2.088 4.986 35 HB1 ALA 6 HB1 ALA 6 -10.979 4.492 4.518 36 HB2 ALA 6 HB2 ALA 6 -9.621 3.376 4.660 37 HB3 ALA 6 HB3 ALA 6 -10.025 4.446 6.001 38 H ARG 7 HN ARG 7 -12.450 1.408 7.641 39 HA ARG 7 HA ARG 7 -10.310 1.326 9.543 40 HB2 ARG 7 HB2 ARG 7 -12.963 0.684 9.495 41 HB3 ARG 7 HB3 ARG 7 -12.242 -0.925 9.488 42 HG2 ARG 7 HG2 ARG 7 -11.367 1.213 11.439 43 HG3 ARG 7 HG3 ARG 7 -12.697 0.111 11.792 44 HD2 ARG 7 HD2 ARG 7 -11.044 -1.242 12.627 45 HD3 ARG 7 HD3 ARG 7 -10.747 -1.637 10.922 46 HE ARG 7 HE ARG 7 -8.987 0.077 10.888 47 HH11 ARG 7 HH11 ARG 7 -10.040 1.784 13.144 48 HH12 ARG 7 HH12 ARG 7 -8.919 1.426 14.414 49 HH21 ARG 7 HH21 ARG 7 -7.681 -1.432 12.870 50 HH22 ARG 7 HH22 ARG 7 -7.577 -0.402 14.258 51 HA PRO 8 HA PRO 8 -9.249 -3.015 7.854 52 HB2 PRO 8 HB2 PRO 8 -10.399 -3.849 5.513 53 HB3 PRO 8 HB3 PRO 8 -11.127 -4.139 7.104 54 HG2 PRO 8 HG2 PRO 8 -11.811 -2.105 5.052 55 HG3 PRO 8 HG3 PRO 8 -12.866 -3.005 6.152 56 HD2 PRO 8 HD2 PRO 8 -12.096 -0.397 6.527 57 HD3 PRO 8 HD3 PRO 8 -12.619 -1.487 7.828 58 H ARG 9 HN ARG 9 -8.418 -3.827 5.307 59 HA ARG 9 HA ARG 9 -6.672 -1.553 4.517 60 HB2 ARG 9 HB2 ARG 9 -6.680 -4.527 3.913 61 HB3 ARG 9 HB3 ARG 9 -5.443 -3.404 3.351 62 HG2 ARG 9 HG2 ARG 9 -5.808 -2.985 6.160 63 HG3 ARG 9 HG3 ARG 9 -5.606 -4.714 5.885 64 HD2 ARG 9 HD2 ARG 9 -3.505 -4.361 4.732 65 HD3 ARG 9 HD3 ARG 9 -3.740 -2.601 4.750 66 HE ARG 9 HE ARG 9 -3.289 -2.591 7.111 67 HH11 ARG 9 HH11 ARG 9 -1.101 -4.458 6.503 68 HH12 ARG 9 HH12 ARG 9 -1.424 -5.804 7.542 69 HH21 ARG 9 HH21 ARG 9 -4.725 -4.888 8.136 70 HH22 ARG 9 HH22 ARG 9 -3.484 -6.048 8.474 71 H TRP 10 HN TRP 10 -9.648 -2.052 3.635 72 HA TRP 10 HA TRP 10 -9.658 -2.640 0.821 73 HB2 TRP 10 HB2 TRP 10 -11.570 -2.543 2.558 74 HB3 TRP 10 HB3 TRP 10 -11.560 -0.799 2.291 75 HD1 TRP 10 HD1 TRP 10 -11.839 -0.050 -0.390 76 HE1 TRP 10 HE1 TRP 10 -13.388 -1.083 -2.174 77 HE3 TRP 10 HE3 TRP 10 -12.750 -4.592 1.758 78 HZ2 TRP 10 HZ2 TRP 10 -14.826 -3.515 -2.628 79 HZ3 TRP 10 HZ3 TRP 10 -14.213 -6.246 0.631 80 HH2 TRP 10 HH2 TRP 10 -15.250 -5.713 -1.557 81 H PHE 11 HN PHE 11 -9.663 0.490 2.585 82 HA PHE 11 HA PHE 11 -9.149 1.959 0.060 83 HB2 PHE 11 HB2 PHE 11 -9.953 2.550 2.878 84 HB3 PHE 11 HB3 PHE 11 -9.148 3.837 1.982 85 HD1 PHE 11 HD2 PHE 11 -10.064 4.414 -0.366 86 HD2 PHE 11 HD1 PHE 11 -12.243 2.112 2.533 87 HE1 PHE 11 HE2 PHE 11 -12.178 4.905 -1.564 88 HE2 PHE 11 HE1 PHE 11 -14.357 2.603 1.336 89 HZ PHE 11 HZ PHE 11 -14.325 3.999 -0.714 90 H TRP 12 HN TRP 12 -7.154 0.174 1.879 91 HA TRP 12 HA TRP 12 -4.964 2.196 2.094 92 HB2 TRP 12 HB2 TRP 12 -5.681 -0.416 3.383 93 HB3 TRP 12 HB3 TRP 12 -3.987 0.059 3.339 94 HD1 TRP 12 HD1 TRP 12 -7.400 1.353 4.581 95 HE1 TRP 12 HE1 TRP 12 -6.986 2.950 6.563 96 HE3 TRP 12 HE3 TRP 12 -2.294 1.503 4.545 97 HZ2 TRP 12 HZ2 TRP 12 -4.781 4.134 7.948 98 HZ3 TRP 12 HZ3 TRP 12 -1.064 2.872 6.204 99 HH2 TRP 12 HH2 TRP 12 -2.300 4.185 7.905 100 H PHE 13 HN PHE 13 -6.031 0.412 -0.346 101 HA PHE 13 HA PHE 13 -3.921 -1.371 -1.077 102 HB2 PHE 13 HB2 PHE 13 -6.044 -1.477 -2.187 103 HB3 PHE 13 HB3 PHE 13 -5.974 0.232 -2.618 104 HD1 PHE 13 HD2 PHE 13 -4.039 -2.951 -3.095 105 HD2 PHE 13 HD1 PHE 13 -5.232 0.829 -4.752 106 HE1 PHE 13 HE2 PHE 13 -2.914 -3.530 -5.227 107 HE2 PHE 13 HE1 PHE 13 -4.106 0.250 -6.884 108 HZ PHE 13 HZ PHE 13 -2.947 -1.929 -7.122 109 H SER 14 HN SER 14 -4.510 1.976 -2.130 110 HA SER 14 HA SER 14 -2.076 2.328 -3.585 111 HB2 SER 14 HB2 SER 14 -4.271 3.737 -3.424 112 HB3 SER 14 HB3 SER 14 -3.484 4.510 -2.051 113 HG SER 14 HG SER 14 -2.756 5.706 -3.674 114 H LEU 15 HN LEU 15 -2.856 2.673 -0.180 115 HA LEU 15 HA LEU 15 -0.391 3.950 0.642 116 HB2 LEU 15 HB2 LEU 15 -2.835 3.415 1.746 117 HB3 LEU 15 HB3 LEU 15 -1.859 2.168 2.518 118 HG LEU 15 HG LEU 15 -1.895 4.227 3.876 119 HD11 LEU 15 HD11 LEU 15 0.197 2.714 3.582 120 HD12 LEU 15 HD12 LEU 15 0.410 4.293 4.340 121 HD13 LEU 15 HD13 LEU 15 0.852 4.060 2.648 122 HD21 LEU 15 HD21 LEU 15 -1.025 6.312 3.058 123 HD22 LEU 15 HD22 LEU 15 -2.185 5.747 1.857 124 HD23 LEU 15 HD23 LEU 15 -0.455 5.561 1.567 125 H LEU 16 HN LEU 16 -1.501 0.560 0.459 126 HA LEU 16 HA LEU 16 0.810 -0.666 1.631 127 HB2 LEU 16 HB2 LEU 16 -1.562 -1.574 1.043 128 HB3 LEU 16 HB3 LEU 16 -0.888 -1.860 -0.561 129 HG LEU 16 HG LEU 16 0.847 -2.820 1.608 130 HD11 LEU 16 HD11 LEU 16 -1.328 -3.283 2.664 131 HD12 LEU 16 HD12 LEU 16 -0.567 -4.784 2.134 132 HD13 LEU 16 HD13 LEU 16 -1.881 -4.081 1.191 133 HD21 LEU 16 HD21 LEU 16 1.141 -4.656 0.122 134 HD22 LEU 16 HD22 LEU 16 0.945 -3.254 -0.930 135 HD23 LEU 16 HD23 LEU 16 -0.404 -4.360 -0.674 136 H LEU 17 HN LEU 17 0.006 0.202 -1.692 137 HA LEU 17 HA LEU 17 2.292 -0.943 -2.981 138 HB2 LEU 17 HB2 LEU 17 0.023 0.119 -3.835 139 HB3 LEU 17 HB3 LEU 17 0.980 1.598 -3.904 140 HG LEU 17 HG LEU 17 2.232 -0.829 -5.076 141 HD11 LEU 17 HD11 LEU 17 0.135 0.660 -6.656 142 HD12 LEU 17 HD12 LEU 17 -0.263 -0.800 -5.750 143 HD13 LEU 17 HD13 LEU 17 0.927 -0.867 -7.049 144 HD21 LEU 17 HD21 LEU 17 3.357 1.345 -5.137 145 HD22 LEU 17 HD22 LEU 17 1.955 2.074 -5.920 146 HD23 LEU 17 HD23 LEU 17 2.914 0.867 -6.776 147 H LEU 18 HN LEU 18 1.784 2.038 -1.239 148 HA LEU 18 HA LEU 18 4.302 3.288 -2.044 149 HB2 LEU 18 HB2 LEU 18 2.041 4.338 -1.281 150 HB3 LEU 18 HB3 LEU 18 2.609 3.986 0.351 151 HG LEU 18 HG LEU 18 4.810 5.179 -0.466 152 HD11 LEU 18 HD11 LEU 18 2.690 6.182 -2.385 153 HD12 LEU 18 HD12 LEU 18 4.246 5.459 -2.789 154 HD13 LEU 18 HD13 LEU 18 4.182 7.059 -2.051 155 HD21 LEU 18 HD21 LEU 18 3.917 7.309 0.364 156 HD22 LEU 18 HD22 LEU 18 3.275 5.977 1.324 157 HD23 LEU 18 HD23 LEU 18 2.268 6.743 0.097 158 H ALA 19 HN ALA 19 3.097 1.391 0.665 159 HA ALA 19 HA ALA 19 5.230 1.737 2.519 160 HB1 ALA 19 HB1 ALA 19 3.714 -0.836 2.037 161 HB2 ALA 19 HB2 ALA 19 2.929 0.584 2.728 162 HB3 ALA 19 HB3 ALA 19 4.278 -0.177 3.573 163 H ALA 20 HN ALA 20 4.873 -0.550 -0.205 164 HA ALA 20 HA ALA 20 7.235 -2.100 0.273 165 HB1 ALA 20 HB1 ALA 20 5.372 -2.676 -1.269 166 HB2 ALA 20 HB2 ALA 20 6.928 -2.722 -2.098 167 HB3 ALA 20 HB3 ALA 20 5.848 -1.346 -2.325 168 H GLY 21 HN GLY 21 6.705 0.897 -1.603 169 HA2 GLY 21 HA2 GLY 21 9.374 1.104 -2.641 170 HA3 GLY 21 HA3 GLY 21 8.232 2.440 -2.498 171 H VAL 22 HN VAL 22 7.838 2.348 0.327 172 HA VAL 22 HA VAL 22 10.044 3.922 1.268 173 HB VAL 22 HB VAL 22 7.790 2.431 2.655 174 HG11 VAL 22 HG11 VAL 22 9.852 4.360 3.736 175 HG12 VAL 22 HG12 VAL 22 9.408 2.775 4.368 176 HG13 VAL 22 HG13 VAL 22 8.290 4.130 4.520 177 HG21 VAL 22 HG21 VAL 22 6.758 4.660 2.752 178 HG22 VAL 22 HG22 VAL 22 7.142 4.245 1.082 179 HG23 VAL 22 HG23 VAL 22 8.174 5.365 1.970 180 H GLY 23 HN GLY 23 9.211 0.476 1.739 181 HA2 GLY 23 HA2 GLY 23 11.295 -0.154 3.590 182 HA3 GLY 23 HA3 GLY 23 10.500 -1.318 2.529 183 H ILE 24 HN ILE 24 11.213 -0.217 0.018 184 HA ILE 24 HA ILE 24 13.880 -1.276 -0.324 185 HB ILE 24 HB ILE 24 12.072 0.440 -2.074 186 HG12 ILE 24 HG12 ILE 24 12.651 -2.482 -2.479 187 HG13 ILE 24 HG13 ILE 24 11.480 -2.005 -1.250 188 HG21 ILE 24 HG21 ILE 24 14.303 0.684 -2.932 189 HG22 ILE 24 HG22 ILE 24 13.507 -0.524 -3.941 190 HG23 ILE 24 HG23 ILE 24 14.648 -1.029 -2.696 191 HD11 ILE 24 HD11 ILE 24 11.357 -1.636 -4.225 192 HD12 ILE 24 HD12 ILE 24 10.515 -0.491 -3.181 193 HD13 ILE 24 HD13 ILE 24 10.107 -2.205 -3.119 194 H TYR 25 HN TYR 25 12.591 2.052 -0.011 195 HA TYR 25 HA TYR 25 15.051 3.416 -0.632 196 HB2 TYR 25 HB2 TYR 25 12.606 4.274 -0.395 197 HB3 TYR 25 HB3 TYR 25 12.971 4.389 1.329 198 HD1 TYR 25 HD2 TYR 25 13.770 5.685 -2.029 199 HD2 TYR 25 HD1 TYR 25 14.637 5.967 2.170 200 HE1 TYR 25 HE2 TYR 25 14.963 7.824 -2.419 201 HE2 TYR 25 HE1 TYR 25 15.831 8.105 1.778 202 HH TYR 25 HH TYR 25 17.066 9.090 -0.710 203 H LEU 26 HN LEU 26 13.877 1.777 2.241 204 HA LEU 26 HA LEU 26 15.878 2.927 4.051 205 HB2 LEU 26 HB2 LEU 26 13.595 1.061 4.093 206 HB3 LEU 26 HB3 LEU 26 14.909 0.572 5.160 207 HG LEU 26 HG LEU 26 13.324 2.019 6.360 208 HD11 LEU 26 HD11 LEU 26 14.929 3.358 7.398 209 HD12 LEU 26 HD12 LEU 26 15.731 3.751 5.878 210 HD13 LEU 26 HD13 LEU 26 15.937 2.154 6.596 211 HD21 LEU 26 HD21 LEU 26 14.016 4.021 4.187 212 HD22 LEU 26 HD22 LEU 26 13.134 4.418 5.662 213 HD23 LEU 26 HD23 LEU 26 12.435 3.301 4.490 214 H LEU 27 HN LEU 27 15.611 0.216 1.838 215 HA LEU 27 HA LEU 27 18.385 -0.652 2.580 216 HB2 LEU 27 HB2 LEU 27 16.281 -2.051 3.297 217 HB3 LEU 27 HB3 LEU 27 16.240 -2.525 1.598 218 HG LEU 27 HG LEU 27 18.947 -2.730 2.451 219 HD11 LEU 27 HD11 LEU 27 17.044 -4.205 4.293 220 HD12 LEU 27 HD12 LEU 27 17.973 -2.782 4.763 221 HD13 LEU 27 HD13 LEU 27 18.806 -4.272 4.321 222 HD21 LEU 27 HD21 LEU 27 18.433 -5.209 2.073 223 HD22 LEU 27 HD22 LEU 27 18.065 -4.131 0.726 224 HD23 LEU 27 HD23 LEU 27 16.767 -4.715 1.767 225 HA PRO 28 HA PRO 28 17.848 -0.186 -2.036 226 HB2 PRO 28 HB2 PRO 28 18.720 2.375 -2.472 227 HB3 PRO 28 HB3 PRO 28 17.028 1.961 -2.147 228 HG2 PRO 28 HG2 PRO 28 18.928 3.361 -0.453 229 HG3 PRO 28 HG3 PRO 28 17.178 3.220 -0.299 230 HD2 PRO 28 HD2 PRO 28 19.241 1.754 1.117 231 HD3 PRO 28 HD3 PRO 28 17.494 1.772 1.397 232 H ASN 29 HN ASN 29 20.435 0.699 0.167 233 HA ASN 29 HA ASN 29 22.527 0.446 -1.922 234 HB2 ASN 29 HB2 ASN 29 22.303 1.344 0.925 235 HB3 ASN 29 HB3 ASN 29 23.882 0.802 0.357 236 HD21 ASN 29 HD21 ASN 29 21.218 3.050 -0.580 237 HD22 ASN 29 HD22 ASN 29 22.242 4.185 -1.317 238 H ARG 30 HN ARG 30 20.859 -1.622 0.256 239 HA ARG 30 HA ARG 30 21.210 -3.849 0.926 240 HB2 ARG 30 HB2 ARG 30 23.092 -3.656 -1.453 241 HB3 ARG 30 HB3 ARG 30 22.569 -5.166 -0.712 242 HG2 ARG 30 HG2 ARG 30 20.153 -4.098 -1.105 243 HG3 ARG 30 HG3 ARG 30 21.013 -3.236 -2.381 244 HD2 ARG 30 HD2 ARG 30 21.173 -6.250 -2.055 245 HD3 ARG 30 HD3 ARG 30 19.990 -5.452 -3.111 246 HE ARG 30 HE ARG 30 22.951 -5.069 -3.409 247 HH11 ARG 30 HH11 ARG 30 21.173 -3.161 -4.872 248 HH12 ARG 30 HH12 ARG 30 21.002 -3.926 -6.417 249 HH21 ARG 30 HH21 ARG 30 22.117 -7.022 -5.300 250 HH22 ARG 30 HH22 ARG 30 21.538 -6.121 -6.660 Start of MODEL 7 1 HA HIS 1 HA HIS 1 -14.825 -8.095 11.452 2 HB2 HIS 1 HB2 HIS 1 -15.921 -7.393 9.316 3 HB3 HIS 1 HB3 HIS 1 -16.973 -8.398 10.310 4 HD1 HIS 1 HD1 HIS 1 -16.459 -4.804 9.244 5 HD2 HIS 1 HD2 HIS 1 -19.308 -7.113 11.229 6 HE1 HIS 1 HE1 HIS 1 -18.512 -3.344 9.502 7 H SER 2 HN SER 2 -13.304 -6.769 10.238 8 HA SER 2 HA SER 2 -13.484 -3.825 10.476 9 HB2 SER 2 HB2 SER 2 -12.488 -5.083 12.600 10 HB3 SER 2 HB3 SER 2 -11.034 -5.138 11.608 11 HG SER 2 HG SER 2 -12.430 -2.940 12.659 12 H VAL 3 HN VAL 3 -13.523 -5.111 8.099 13 HA VAL 3 HA VAL 3 -12.453 -5.265 6.008 14 HB VAL 3 HB VAL 3 -10.398 -3.481 7.357 15 HG11 VAL 3 HG11 VAL 3 -10.548 -2.481 4.934 16 HG12 VAL 3 HG12 VAL 3 -11.208 -4.063 4.520 17 HG13 VAL 3 HG13 VAL 3 -9.591 -3.935 5.210 18 HG21 VAL 3 HG21 VAL 3 -13.176 -2.909 6.319 19 HG22 VAL 3 HG22 VAL 3 -11.941 -1.650 6.354 20 HG23 VAL 3 HG23 VAL 3 -12.456 -2.422 7.854 21 H SER 4 HN SER 4 -11.593 -7.139 8.331 22 HA SER 4 HA SER 4 -8.798 -7.758 7.580 23 HB2 SER 4 HB2 SER 4 -10.506 -8.087 9.848 24 HB3 SER 4 HB3 SER 4 -9.979 -9.687 9.332 25 HG SER 4 HG SER 4 -8.537 -7.571 10.384 26 H HIS 5 HN HIS 5 -12.026 -9.132 7.300 27 HA HIS 5 HA HIS 5 -10.942 -11.216 5.433 28 HB2 HIS 5 HB2 HIS 5 -12.966 -12.522 6.162 29 HB3 HIS 5 HB3 HIS 5 -11.839 -12.177 7.466 30 HD1 HIS 5 HD1 HIS 5 -13.293 -11.858 9.480 31 HD2 HIS 5 HD2 HIS 5 -14.769 -9.793 6.171 32 HE1 HIS 5 HE1 HIS 5 -15.260 -10.491 10.305 33 H ALA 6 HN ALA 6 -12.247 -8.325 5.167 34 HA ALA 6 HA ALA 6 -14.385 -9.062 3.205 35 HB1 ALA 6 HB1 ALA 6 -15.012 -6.643 3.529 36 HB2 ALA 6 HB2 ALA 6 -13.699 -6.508 4.698 37 HB3 ALA 6 HB3 ALA 6 -15.058 -7.583 5.020 38 H ARG 7 HN ARG 7 -11.739 -9.457 2.315 39 HA ARG 7 HA ARG 7 -10.289 -8.897 0.540 40 HB2 ARG 7 HB2 ARG 7 -12.914 -8.488 -0.208 41 HB3 ARG 7 HB3 ARG 7 -12.176 -6.937 -0.603 42 HG2 ARG 7 HG2 ARG 7 -10.415 -8.109 -1.889 43 HG3 ARG 7 HG3 ARG 7 -11.180 -9.653 -1.513 44 HD2 ARG 7 HD2 ARG 7 -12.911 -7.540 -2.737 45 HD3 ARG 7 HD3 ARG 7 -11.744 -8.365 -3.790 46 HE ARG 7 HE ARG 7 -12.744 -10.530 -2.739 47 HH11 ARG 7 HH11 ARG 7 -14.321 -9.515 -5.047 48 HH12 ARG 7 HH12 ARG 7 -15.923 -9.415 -4.397 49 HH21 ARG 7 HH21 ARG 7 -14.869 -9.567 -1.087 50 HH22 ARG 7 HH22 ARG 7 -16.234 -9.444 -2.145 51 HA PRO 8 HA PRO 8 -9.109 -4.945 2.614 52 HB2 PRO 8 HB2 PRO 8 -6.519 -5.676 3.118 53 HB3 PRO 8 HB3 PRO 8 -7.866 -6.060 4.208 54 HG2 PRO 8 HG2 PRO 8 -6.478 -7.792 2.230 55 HG3 PRO 8 HG3 PRO 8 -7.121 -8.193 3.831 56 HD2 PRO 8 HD2 PRO 8 -8.380 -8.806 1.478 57 HD3 PRO 8 HD3 PRO 8 -9.219 -8.592 3.029 58 H ARG 9 HN ARG 9 -9.348 -4.086 0.390 59 HA ARG 9 HA ARG 9 -6.737 -3.452 -0.816 60 HB2 ARG 9 HB2 ARG 9 -7.744 -4.236 -3.103 61 HB3 ARG 9 HB3 ARG 9 -7.098 -5.452 -2.006 62 HG2 ARG 9 HG2 ARG 9 -9.193 -6.257 -1.433 63 HG3 ARG 9 HG3 ARG 9 -9.992 -4.723 -1.762 64 HD2 ARG 9 HD2 ARG 9 -8.724 -5.949 -4.135 65 HD3 ARG 9 HD3 ARG 9 -10.076 -6.877 -3.459 66 HE ARG 9 HE ARG 9 -10.978 -4.242 -3.440 67 HH11 ARG 9 HH11 ARG 9 -9.138 -4.097 -5.890 68 HH12 ARG 9 HH12 ARG 9 -10.262 -4.439 -7.163 69 HH21 ARG 9 HH21 ARG 9 -12.699 -5.691 -5.025 70 HH22 ARG 9 HH22 ARG 9 -12.286 -5.344 -6.670 71 H TRP 10 HN TRP 10 -9.029 -2.971 -3.200 72 HA TRP 10 HA TRP 10 -9.741 -0.880 -4.070 73 HB2 TRP 10 HB2 TRP 10 -11.739 -0.128 -2.603 74 HB3 TRP 10 HB3 TRP 10 -11.774 -1.750 -3.276 75 HD1 TRP 10 HD1 TRP 10 -11.398 -3.791 -1.603 76 HE1 TRP 10 HE1 TRP 10 -11.679 -3.991 0.949 77 HE3 TRP 10 HE3 TRP 10 -11.528 1.159 -0.334 78 HZ2 TRP 10 HZ2 TRP 10 -11.936 -2.284 3.223 79 HZ3 TRP 10 HZ3 TRP 10 -11.800 1.839 2.031 80 HH2 TRP 10 HH2 TRP 10 -12.004 0.125 3.812 81 H PHE 11 HN PHE 11 -7.891 0.472 -3.918 82 HA PHE 11 HA PHE 11 -6.966 2.585 -3.402 83 HB2 PHE 11 HB2 PHE 11 -9.455 2.917 -2.576 84 HB3 PHE 11 HB3 PHE 11 -8.720 2.810 -0.976 85 HD1 PHE 11 HD1 PHE 11 -7.116 4.486 -0.200 86 HD2 PHE 11 HD2 PHE 11 -8.917 4.764 -4.091 87 HE1 PHE 11 HE1 PHE 11 -6.330 6.829 -0.397 88 HE2 PHE 11 HE2 PHE 11 -8.134 7.107 -4.286 89 HZ PHE 11 HZ PHE 11 -6.840 8.140 -2.439 90 H TRP 12 HN TRP 12 -7.649 0.494 -0.549 91 HA TRP 12 HA TRP 12 -5.523 1.386 1.101 92 HB2 TRP 12 HB2 TRP 12 -7.274 -0.093 1.911 93 HB3 TRP 12 HB3 TRP 12 -6.818 -1.332 0.743 94 HD1 TRP 12 HD1 TRP 12 -5.074 -3.041 1.473 95 HE1 TRP 12 HE1 TRP 12 -3.474 -3.284 3.479 96 HE3 TRP 12 HE3 TRP 12 -5.793 1.482 3.730 97 HZ2 TRP 12 HZ2 TRP 12 -2.615 -1.764 5.744 98 HZ3 TRP 12 HZ3 TRP 12 -4.573 2.058 5.809 99 HH2 TRP 12 HH2 TRP 12 -2.985 0.443 6.817 100 H PHE 13 HN PHE 13 -5.541 -0.913 -1.565 101 HA PHE 13 HA PHE 13 -2.976 -2.063 -1.271 102 HB2 PHE 13 HB2 PHE 13 -4.931 -2.492 -2.943 103 HB3 PHE 13 HB3 PHE 13 -4.145 -1.258 -3.930 104 HD1 PHE 13 HD1 PHE 13 -3.751 -4.600 -2.388 105 HD2 PHE 13 HD2 PHE 13 -2.029 -1.671 -5.015 106 HE1 PHE 13 HE1 PHE 13 -2.115 -6.283 -3.191 107 HE2 PHE 13 HE2 PHE 13 -0.394 -3.353 -5.819 108 HZ PHE 13 HZ PHE 13 -0.436 -5.659 -4.907 109 H SER 14 HN SER 14 -3.951 1.045 -2.601 110 HA SER 14 HA SER 14 -1.423 1.839 -3.710 111 HB2 SER 14 HB2 SER 14 -3.557 3.604 -2.482 112 HB3 SER 14 HB3 SER 14 -2.444 4.026 -3.780 113 HG SER 14 HG SER 14 -3.660 2.974 -5.167 114 H LEU 15 HN LEU 15 -2.864 2.116 -0.507 115 HA LEU 15 HA LEU 15 -0.845 3.765 0.720 116 HB2 LEU 15 HB2 LEU 15 -3.202 3.182 1.521 117 HB3 LEU 15 HB3 LEU 15 -2.560 1.612 2.004 118 HG LEU 15 HG LEU 15 -1.016 3.971 2.930 119 HD11 LEU 15 HD11 LEU 15 -3.355 4.743 3.216 120 HD12 LEU 15 HD12 LEU 15 -2.579 4.435 4.769 121 HD13 LEU 15 HD13 LEU 15 -3.723 3.266 4.107 122 HD21 LEU 15 HD21 LEU 15 -1.679 1.203 3.753 123 HD22 LEU 15 HD22 LEU 15 -1.519 2.357 5.077 124 HD23 LEU 15 HD23 LEU 15 -0.180 2.109 3.958 125 H LEU 16 HN LEU 16 -1.263 0.223 0.449 126 HA LEU 16 HA LEU 16 1.056 -0.513 1.976 127 HB2 LEU 16 HB2 LEU 16 -1.038 -1.839 1.064 128 HB3 LEU 16 HB3 LEU 16 -0.007 -2.106 -0.342 129 HG LEU 16 HG LEU 16 1.175 -2.607 2.356 130 HD11 LEU 16 HD11 LEU 16 -0.580 -4.650 0.974 131 HD12 LEU 16 HD12 LEU 16 -1.149 -3.651 2.310 132 HD13 LEU 16 HD13 LEU 16 0.183 -4.779 2.558 133 HD21 LEU 16 HD21 LEU 16 1.500 -3.506 -0.475 134 HD22 LEU 16 HD22 LEU 16 1.928 -4.655 0.793 135 HD23 LEU 16 HD23 LEU 16 2.730 -3.087 0.717 136 H LEU 17 HN LEU 17 0.555 0.271 -1.418 137 HA LEU 17 HA LEU 17 3.126 -0.499 -2.425 138 HB2 LEU 17 HB2 LEU 17 0.924 0.197 -3.618 139 HB3 LEU 17 HB3 LEU 17 1.491 1.851 -3.385 140 HG LEU 17 HG LEU 17 3.717 0.963 -4.440 141 HD11 LEU 17 HD11 LEU 17 1.685 -1.148 -5.170 142 HD12 LEU 17 HD12 LEU 17 3.323 -1.368 -4.557 143 HD13 LEU 17 HD13 LEU 17 3.068 -0.810 -6.211 144 HD21 LEU 17 HD21 LEU 17 2.957 1.675 -6.599 145 HD22 LEU 17 HD22 LEU 17 2.003 2.582 -5.425 146 HD23 LEU 17 HD23 LEU 17 1.297 1.192 -6.249 147 H LEU 18 HN LEU 18 1.909 2.426 -0.904 148 HA LEU 18 HA LEU 18 4.230 4.085 -1.253 149 HB2 LEU 18 HB2 LEU 18 1.825 4.695 -0.596 150 HB3 LEU 18 HB3 LEU 18 2.237 4.139 1.025 151 HG LEU 18 HG LEU 18 4.211 5.992 -0.141 152 HD11 LEU 18 HD11 LEU 18 2.047 6.899 -1.038 153 HD12 LEU 18 HD12 LEU 18 2.847 7.987 0.097 154 HD13 LEU 18 HD13 LEU 18 1.464 7.027 0.622 155 HD21 LEU 18 HD21 LEU 18 3.974 5.081 2.269 156 HD22 LEU 18 HD22 LEU 18 2.654 6.238 2.438 157 HD23 LEU 18 HD23 LEU 18 4.286 6.807 2.086 158 H ALA 19 HN ALA 19 3.206 1.825 1.260 159 HA ALA 19 HA ALA 19 5.372 2.319 3.106 160 HB1 ALA 19 HB1 ALA 19 3.782 -0.229 2.683 161 HB2 ALA 19 HB2 ALA 19 3.128 1.184 3.511 162 HB3 ALA 19 HB3 ALA 19 4.519 0.332 4.183 163 H ALA 20 HN ALA 20 4.944 0.130 0.341 164 HA ALA 20 HA ALA 20 7.288 -1.484 0.728 165 HB1 ALA 20 HB1 ALA 20 5.210 -1.733 -0.822 166 HB2 ALA 20 HB2 ALA 20 6.770 -2.262 -1.449 167 HB3 ALA 20 HB3 ALA 20 6.106 -0.704 -1.940 168 H GLY 21 HN GLY 21 6.737 1.584 -1.020 169 HA2 GLY 21 HA2 GLY 21 9.369 1.784 -2.160 170 HA3 GLY 21 HA3 GLY 21 8.256 3.133 -1.920 171 H VAL 22 HN VAL 22 7.949 2.989 0.885 172 HA VAL 22 HA VAL 22 10.276 4.409 1.815 173 HB VAL 22 HB VAL 22 7.910 3.086 3.189 174 HG11 VAL 22 HG11 VAL 22 8.555 4.722 5.075 175 HG12 VAL 22 HG12 VAL 22 10.138 4.800 4.299 176 HG13 VAL 22 HG13 VAL 22 9.530 3.262 4.913 177 HG21 VAL 22 HG21 VAL 22 7.482 5.002 1.617 178 HG22 VAL 22 HG22 VAL 22 8.521 6.006 2.629 179 HG23 VAL 22 HG23 VAL 22 7.021 5.347 3.283 180 H GLY 23 HN GLY 23 9.140 1.049 2.295 181 HA2 GLY 23 HA2 GLY 23 11.247 0.242 4.067 182 HA3 GLY 23 HA3 GLY 23 10.265 -0.852 3.091 183 H ILE 24 HN ILE 24 10.883 -0.040 0.513 184 HA ILE 24 HA ILE 24 13.441 -1.288 0.054 185 HB ILE 24 HB ILE 24 11.466 0.309 -1.597 186 HG12 ILE 24 HG12 ILE 24 12.388 -2.572 -1.818 187 HG13 ILE 24 HG13 ILE 24 11.010 -2.072 -0.836 188 HG21 ILE 24 HG21 ILE 24 13.519 0.831 -2.687 189 HG22 ILE 24 HG22 ILE 24 12.862 -0.537 -3.585 190 HG23 ILE 24 HG23 ILE 24 14.162 -0.790 -2.420 191 HD11 ILE 24 HD11 ILE 24 10.204 -0.896 -3.035 192 HD12 ILE 24 HD12 ILE 24 9.982 -2.637 -2.862 193 HD13 ILE 24 HD13 ILE 24 11.319 -2.012 -3.828 194 H TYR 25 HN TYR 25 12.444 2.126 0.397 195 HA TYR 25 HA TYR 25 14.883 3.296 -0.594 196 HB2 TYR 25 HB2 TYR 25 12.641 4.416 -0.124 197 HB3 TYR 25 HB3 TYR 25 13.079 4.379 1.587 198 HD1 TYR 25 HD2 TYR 25 13.999 5.731 -1.739 199 HD2 TYR 25 HD1 TYR 25 14.804 5.815 2.479 200 HE1 TYR 25 HE2 TYR 25 15.382 7.765 -2.043 201 HE2 TYR 25 HE1 TYR 25 16.188 7.850 2.174 202 HH TYR 25 HH TYR 25 17.553 8.791 -0.271 203 H LEU 26 HN LEU 26 13.992 1.834 2.482 204 HA LEU 26 HA LEU 26 16.326 2.827 3.950 205 HB2 LEU 26 HB2 LEU 26 13.940 1.151 4.364 206 HB3 LEU 26 HB3 LEU 26 15.356 0.554 5.226 207 HG LEU 26 HG LEU 26 15.640 3.093 5.902 208 HD11 LEU 26 HD11 LEU 26 12.652 2.881 5.413 209 HD12 LEU 26 HD12 LEU 26 13.764 3.841 4.437 210 HD13 LEU 26 HD13 LEU 26 13.499 4.250 6.132 211 HD21 LEU 26 HD21 LEU 26 15.297 1.378 7.556 212 HD22 LEU 26 HD22 LEU 26 13.620 1.152 7.060 213 HD23 LEU 26 HD23 LEU 26 14.104 2.636 7.878 214 H LEU 27 HN LEU 27 15.527 0.131 1.863 215 HA LEU 27 HA LEU 27 18.317 -0.928 2.138 216 HB2 LEU 27 HB2 LEU 27 16.098 -2.102 3.188 217 HB3 LEU 27 HB3 LEU 27 16.056 -2.788 1.564 218 HG LEU 27 HG LEU 27 17.328 -4.279 3.003 219 HD11 LEU 27 HD11 LEU 27 19.380 -4.428 1.767 220 HD12 LEU 27 HD12 LEU 27 19.342 -2.709 1.377 221 HD13 LEU 27 HD13 LEU 27 18.162 -3.803 0.654 222 HD21 LEU 27 HD21 LEU 27 19.175 -1.947 3.583 223 HD22 LEU 27 HD22 LEU 27 19.230 -3.557 4.299 224 HD23 LEU 27 HD23 LEU 27 17.897 -2.469 4.679 225 HA PRO 28 HA PRO 28 16.934 -0.449 -2.294 226 HB2 PRO 28 HB2 PRO 28 18.020 1.982 -2.939 227 HB3 PRO 28 HB3 PRO 28 16.393 1.786 -2.263 228 HG2 PRO 28 HG2 PRO 28 18.765 2.911 -1.024 229 HG3 PRO 28 HG3 PRO 28 17.084 2.984 -0.502 230 HD2 PRO 28 HD2 PRO 28 19.206 1.248 0.452 231 HD3 PRO 28 HD3 PRO 28 17.583 1.493 1.113 232 H ASN 29 HN ASN 29 20.010 -0.010 -0.688 233 HA ASN 29 HA ASN 29 21.812 0.021 -2.888 234 HB2 ASN 29 HB2 ASN 29 23.393 -0.974 -1.196 235 HB3 ASN 29 HB3 ASN 29 22.505 0.422 -0.592 236 HD21 ASN 29 HD21 ASN 29 22.822 -3.104 -0.314 237 HD22 ASN 29 HD22 ASN 29 21.859 -3.250 1.075 238 H ARG 30 HN ARG 30 20.053 -2.685 -1.411 239 HA ARG 30 HA ARG 30 19.779 -4.920 -2.091 240 HB2 ARG 30 HB2 ARG 30 20.146 -3.228 -4.450 241 HB3 ARG 30 HB3 ARG 30 20.622 -4.898 -4.753 242 HG2 ARG 30 HG2 ARG 30 18.027 -4.262 -3.357 243 HG3 ARG 30 HG3 ARG 30 18.133 -4.253 -5.118 244 HD2 ARG 30 HD2 ARG 30 19.418 -6.629 -4.391 245 HD3 ARG 30 HD3 ARG 30 18.019 -6.538 -3.303 246 HE ARG 30 HE ARG 30 17.836 -6.356 -6.288 247 HH11 ARG 30 HH21 ARG 30 16.891 -8.861 -5.085 248 HH12 ARG 30 HH22 ARG 30 15.203 -8.570 -4.828 249 HH21 ARG 30 HH11 ARG 30 15.489 -5.116 -5.121 250 HH22 ARG 30 HH12 ARG 30 14.405 -6.439 -4.850 Start of MODEL 8 1 HA HIS 1 HA HIS 1 -18.168 0.722 18.651 2 HB2 HIS 1 HB2 HIS 1 -15.570 0.867 19.962 3 HB3 HIS 1 HB3 HIS 1 -16.242 2.478 19.708 4 HD1 HIS 1 HD1 HIS 1 -18.310 3.134 21.061 5 HD2 HIS 1 HD2 HIS 1 -17.217 -0.852 21.607 6 HE1 HIS 1 HE1 HIS 1 -19.712 2.262 22.982 7 H SER 2 HN SER 2 -18.922 2.474 17.502 8 HA SER 2 HA SER 2 -19.059 3.929 15.638 9 HB2 SER 2 HB2 SER 2 -17.506 5.831 15.990 10 HB3 SER 2 HB3 SER 2 -18.202 5.272 17.506 11 HG SER 2 HG SER 2 -15.625 4.720 16.446 12 H VAL 3 HN VAL 3 -17.980 1.555 14.678 13 HA VAL 3 HA VAL 3 -15.765 2.489 12.879 14 HB VAL 3 HB VAL 3 -15.403 0.674 14.697 15 HG11 VAL 3 HG11 VAL 3 -16.536 -1.210 12.656 16 HG12 VAL 3 HG12 VAL 3 -17.620 -0.472 13.837 17 HG13 VAL 3 HG13 VAL 3 -16.266 -1.462 14.381 18 HG21 VAL 3 HG21 VAL 3 -13.739 1.040 12.999 19 HG22 VAL 3 HG22 VAL 3 -14.732 0.250 11.773 20 HG23 VAL 3 HG23 VAL 3 -14.016 -0.700 13.075 21 H SER 4 HN SER 4 -18.886 2.399 12.635 22 HA SER 4 HA SER 4 -19.561 0.466 10.621 23 HB2 SER 4 HB2 SER 4 -21.196 1.658 12.017 24 HB3 SER 4 HB3 SER 4 -20.709 3.191 11.301 25 HG SER 4 HG SER 4 -22.550 2.406 10.260 26 H HIS 5 HN HIS 5 -18.007 3.576 10.488 27 HA HIS 5 HA HIS 5 -17.799 3.338 7.506 28 HB2 HIS 5 HB2 HIS 5 -18.001 5.809 7.460 29 HB3 HIS 5 HB3 HIS 5 -19.417 5.061 8.195 30 HD1 HIS 5 HD1 HIS 5 -19.814 5.456 10.711 31 HD2 HIS 5 HD2 HIS 5 -16.300 7.208 9.310 32 HE1 HIS 5 HE1 HIS 5 -18.979 6.966 12.564 33 H ALA 6 HN ALA 6 -16.006 2.860 10.075 34 HA ALA 6 HA ALA 6 -13.671 4.519 9.201 35 HB1 ALA 6 HB1 ALA 6 -14.693 4.612 11.567 36 HB2 ALA 6 HB2 ALA 6 -12.948 4.380 11.464 37 HB3 ALA 6 HB3 ALA 6 -14.001 3.006 11.797 38 H ARG 7 HN ARG 7 -14.523 1.957 7.897 39 HA ARG 7 HA ARG 7 -11.918 0.563 8.115 40 HB2 ARG 7 HB2 ARG 7 -13.142 -1.631 8.452 41 HB3 ARG 7 HB3 ARG 7 -13.228 -0.533 9.827 42 HG2 ARG 7 HG2 ARG 7 -15.461 0.238 9.050 43 HG3 ARG 7 HG3 ARG 7 -15.377 -0.914 7.718 44 HD2 ARG 7 HD2 ARG 7 -14.838 -2.572 9.814 45 HD3 ARG 7 HD3 ARG 7 -15.922 -1.403 10.593 46 HE ARG 7 HE ARG 7 -16.644 -3.211 8.378 47 HH11 ARG 7 HH11 ARG 7 -18.389 -2.746 10.761 48 HH12 ARG 7 HH12 ARG 7 -19.608 -1.692 10.128 49 HH21 ARG 7 HH21 ARG 7 -17.764 -0.825 7.311 50 HH22 ARG 7 HH22 ARG 7 -19.254 -0.599 8.166 51 HA PRO 8 HA PRO 8 -13.981 0.718 3.898 52 HB2 PRO 8 HB2 PRO 8 -12.139 2.321 2.663 53 HB3 PRO 8 HB3 PRO 8 -13.557 2.960 3.518 54 HG2 PRO 8 HG2 PRO 8 -10.726 2.803 4.403 55 HG3 PRO 8 HG3 PRO 8 -11.935 4.061 4.698 56 HD2 PRO 8 HD2 PRO 8 -11.208 2.161 6.535 57 HD3 PRO 8 HD3 PRO 8 -12.772 3.003 6.531 58 H ARG 9 HN ARG 9 -12.551 0.359 1.695 59 HA ARG 9 HA ARG 9 -10.057 -1.120 2.069 60 HB2 ARG 9 HB2 ARG 9 -11.091 -3.293 1.309 61 HB3 ARG 9 HB3 ARG 9 -11.599 -2.766 2.908 62 HG2 ARG 9 HG2 ARG 9 -13.633 -1.716 1.808 63 HG3 ARG 9 HG3 ARG 9 -13.155 -2.535 0.321 64 HD2 ARG 9 HD2 ARG 9 -14.597 -4.131 1.231 65 HD3 ARG 9 HD3 ARG 9 -13.063 -4.659 1.950 66 HE ARG 9 HE ARG 9 -14.937 -2.795 3.368 67 HH11 ARG 9 HH11 ARG 9 -15.279 -5.666 4.029 68 HH12 ARG 9 HH12 ARG 9 -14.218 -5.878 5.382 69 HH21 ARG 9 HH21 ARG 9 -12.444 -2.947 4.780 70 HH22 ARG 9 HH22 ARG 9 -12.605 -4.334 5.807 71 H TRP 10 HN TRP 10 -10.184 0.912 0.472 72 HA TRP 10 HA TRP 10 -10.322 -0.221 -2.293 73 HB2 TRP 10 HB2 TRP 10 -12.340 1.228 -1.421 74 HB3 TRP 10 HB3 TRP 10 -11.239 2.583 -1.680 75 HD1 TRP 10 HD1 TRP 10 -12.995 -0.252 -3.567 76 HE1 TRP 10 HE1 TRP 10 -13.048 0.341 -6.074 77 HE3 TRP 10 HE3 TRP 10 -10.133 3.978 -3.535 78 HZ2 TRP 10 HZ2 TRP 10 -12.014 2.344 -7.836 79 HZ3 TRP 10 HZ3 TRP 10 -9.683 5.207 -5.640 80 HH2 TRP 10 HH2 TRP 10 -10.619 4.396 -7.788 81 H PHE 11 HN PHE 11 -9.461 2.810 -0.565 82 HA PHE 11 HA PHE 11 -7.208 3.332 -2.365 83 HB2 PHE 11 HB2 PHE 11 -7.058 5.374 -1.143 84 HB3 PHE 11 HB3 PHE 11 -8.778 4.993 -1.167 85 HD1 PHE 11 HD1 PHE 11 -9.930 4.215 0.859 86 HD2 PHE 11 HD2 PHE 11 -5.738 5.157 0.908 87 HE1 PHE 11 HE1 PHE 11 -9.957 4.217 3.335 88 HE2 PHE 11 HE2 PHE 11 -5.769 5.157 3.386 89 HZ PHE 11 HZ PHE 11 -7.879 4.687 4.600 90 H TRP 12 HN TRP 12 -7.652 1.534 0.563 91 HA TRP 12 HA TRP 12 -5.167 1.804 1.872 92 HB2 TRP 12 HB2 TRP 12 -7.264 -0.317 1.588 93 HB3 TRP 12 HB3 TRP 12 -5.767 -0.724 2.426 94 HD1 TRP 12 HD1 TRP 12 -9.041 0.328 3.272 95 HE1 TRP 12 HE1 TRP 12 -9.119 1.703 5.451 96 HE3 TRP 12 HE3 TRP 12 -4.101 1.529 3.737 97 HZ2 TRP 12 HZ2 TRP 12 -7.325 3.128 7.162 98 HZ3 TRP 12 HZ3 TRP 12 -3.313 2.895 5.648 99 HH2 TRP 12 HH2 TRP 12 -4.918 3.696 7.359 100 H PHE 13 HN PHE 13 -5.973 -0.043 -1.007 101 HA PHE 13 HA PHE 13 -3.620 -1.676 -1.120 102 HB2 PHE 13 HB2 PHE 13 -5.907 -1.573 -2.492 103 HB3 PHE 13 HB3 PHE 13 -4.921 -0.614 -3.597 104 HD1 PHE 13 HD1 PHE 13 -2.654 -1.597 -4.336 105 HD2 PHE 13 HD2 PHE 13 -5.758 -3.923 -2.493 106 HE1 PHE 13 HE1 PHE 13 -1.624 -3.672 -5.222 107 HE2 PHE 13 HE2 PHE 13 -4.730 -5.999 -3.379 108 HZ PHE 13 HZ PHE 13 -2.662 -5.874 -4.744 109 H SER 14 HN SER 14 -4.331 1.565 -2.320 110 HA SER 14 HA SER 14 -1.844 2.011 -3.698 111 HB2 SER 14 HB2 SER 14 -4.148 3.279 -3.692 112 HB3 SER 14 HB3 SER 14 -3.450 4.164 -2.338 113 HG SER 14 HG SER 14 -3.087 4.661 -4.851 114 H LEU 15 HN LEU 15 -2.917 2.475 -0.377 115 HA LEU 15 HA LEU 15 -0.613 3.907 0.603 116 HB2 LEU 15 HB2 LEU 15 -2.866 3.709 1.691 117 HB3 LEU 15 HB3 LEU 15 -2.523 2.011 2.020 118 HG LEU 15 HG LEU 15 -0.355 3.760 2.902 119 HD11 LEU 15 HD11 LEU 15 -1.952 5.426 3.410 120 HD12 LEU 15 HD12 LEU 15 -1.782 4.533 4.921 121 HD13 LEU 15 HD13 LEU 15 -3.172 4.240 3.875 122 HD21 LEU 15 HD21 LEU 15 -0.623 1.398 3.560 123 HD22 LEU 15 HD22 LEU 15 -2.170 1.776 4.317 124 HD23 LEU 15 HD23 LEU 15 -0.678 2.443 4.979 125 H LEU 16 HN LEU 16 -1.450 0.437 0.437 126 HA LEU 16 HA LEU 16 0.868 -0.575 1.785 127 HB2 LEU 16 HB2 LEU 16 -1.391 -1.670 1.074 128 HB3 LEU 16 HB3 LEU 16 -0.586 -1.959 -0.468 129 HG LEU 16 HG LEU 16 1.042 -2.713 1.864 130 HD11 LEU 16 HD11 LEU 16 -0.244 -4.722 2.409 131 HD12 LEU 16 HD12 LEU 16 -1.491 -4.268 1.247 132 HD13 LEU 16 HD13 LEU 16 -1.237 -3.292 2.694 133 HD21 LEU 16 HD21 LEU 16 1.539 -4.614 0.474 134 HD22 LEU 16 HD22 LEU 16 1.459 -3.215 -0.596 135 HD23 LEU 16 HD23 LEU 16 0.105 -4.342 -0.516 136 H LEU 17 HN LEU 17 0.231 0.214 -1.588 137 HA LEU 17 HA LEU 17 2.644 -0.813 -2.739 138 HB2 LEU 17 HB2 LEU 17 0.409 0.115 -3.757 139 HB3 LEU 17 HB3 LEU 17 1.231 1.675 -3.680 140 HG LEU 17 HG LEU 17 3.196 0.280 -4.832 141 HD11 LEU 17 HD11 LEU 17 2.188 -1.872 -4.910 142 HD12 LEU 17 HD12 LEU 17 2.032 -1.242 -6.550 143 HD13 LEU 17 HD13 LEU 17 0.646 -1.217 -5.460 144 HD21 LEU 17 HD21 LEU 17 0.772 1.198 -6.408 145 HD22 LEU 17 HD22 LEU 17 2.448 1.167 -6.955 146 HD23 LEU 17 HD23 LEU 17 1.950 2.303 -5.701 147 H LEU 18 HN LEU 18 1.848 2.196 -1.131 148 HA LEU 18 HA LEU 18 4.353 3.553 -1.721 149 HB2 LEU 18 HB2 LEU 18 1.959 4.429 -1.071 150 HB3 LEU 18 HB3 LEU 18 2.521 4.178 0.582 151 HG LEU 18 HG LEU 18 4.662 5.482 -0.578 152 HD11 LEU 18 HD11 LEU 18 3.807 7.332 -1.859 153 HD12 LEU 18 HD12 LEU 18 2.139 6.850 -1.550 154 HD13 LEU 18 HD13 LEU 18 3.165 5.862 -2.591 155 HD21 LEU 18 HD21 LEU 18 4.219 6.486 1.401 156 HD22 LEU 18 HD22 LEU 18 2.510 6.056 1.319 157 HD23 LEU 18 HD23 LEU 18 3.093 7.513 0.516 158 H ALA 19 HN ALA 19 3.069 1.635 0.945 159 HA ALA 19 HA ALA 19 5.151 2.076 2.860 160 HB1 ALA 19 HB1 ALA 19 2.830 0.962 3.069 161 HB2 ALA 19 HB2 ALA 19 4.149 0.222 3.976 162 HB3 ALA 19 HB3 ALA 19 3.611 -0.498 2.459 163 H ALA 20 HN ALA 20 4.788 -0.362 0.272 164 HA ALA 20 HA ALA 20 7.152 -1.883 0.842 165 HB1 ALA 20 HB1 ALA 20 5.150 -2.384 -0.687 166 HB2 ALA 20 HB2 ALA 20 6.736 -2.820 -1.324 167 HB3 ALA 20 HB3 ALA 20 5.935 -1.351 -1.881 168 H GLY 21 HN GLY 21 6.596 0.984 -1.219 169 HA2 GLY 21 HA2 GLY 21 9.219 1.132 -2.352 170 HA3 GLY 21 HA3 GLY 21 8.109 2.495 -2.190 171 H VAL 22 HN VAL 22 7.852 2.430 0.667 172 HA VAL 22 HA VAL 22 10.128 3.995 1.467 173 HB VAL 22 HB VAL 22 7.967 2.562 3.059 174 HG11 VAL 22 HG11 VAL 22 8.519 4.539 4.671 175 HG12 VAL 22 HG12 VAL 22 10.059 4.597 3.810 176 HG13 VAL 22 HG13 VAL 22 9.583 3.132 4.668 177 HG21 VAL 22 HG21 VAL 22 7.730 4.629 1.213 178 HG22 VAL 22 HG22 VAL 22 7.817 5.474 2.758 179 HG23 VAL 22 HG23 VAL 22 6.572 4.254 2.488 180 H GLY 23 HN GLY 23 9.213 0.590 2.084 181 HA2 GLY 23 HA2 GLY 23 11.360 -0.061 3.847 182 HA3 GLY 23 HA3 GLY 23 10.491 -1.226 2.847 183 H ILE 24 HN ILE 24 11.116 -0.167 0.289 184 HA ILE 24 HA ILE 24 13.728 -1.310 -0.176 185 HB ILE 24 HB ILE 24 11.881 0.454 -1.833 186 HG12 ILE 24 HG12 ILE 24 12.381 -2.478 -2.268 187 HG13 ILE 24 HG13 ILE 24 11.275 -1.976 -0.989 188 HG21 ILE 24 HG21 ILE 24 14.366 -1.096 -2.617 189 HG22 ILE 24 HG22 ILE 24 14.102 0.640 -2.771 190 HG23 ILE 24 HG23 ILE 24 13.190 -0.483 -3.779 191 HD11 ILE 24 HD11 ILE 24 10.151 -0.503 -2.775 192 HD12 ILE 24 HD12 ILE 24 9.894 -2.243 -2.899 193 HD13 ILE 24 HD13 ILE 24 11.062 -1.447 -3.955 194 H TYR 25 HN TYR 25 12.562 2.037 0.257 195 HA TYR 25 HA TYR 25 14.986 3.374 -0.522 196 HB2 TYR 25 HB2 TYR 25 12.581 4.255 -0.041 197 HB3 TYR 25 HB3 TYR 25 13.107 4.318 1.643 198 HD1 TYR 25 HD1 TYR 25 14.900 5.833 2.356 199 HD2 TYR 25 HD2 TYR 25 13.574 5.714 -1.729 200 HE1 TYR 25 HE1 TYR 25 16.082 7.966 1.910 201 HE2 TYR 25 HE2 TYR 25 14.754 7.848 -2.173 202 HH TYR 25 HH TYR 25 15.542 9.954 -0.233 203 H LEU 26 HN LEU 26 14.015 1.693 2.409 204 HA LEU 26 HA LEU 26 16.194 2.743 4.067 205 HB2 LEU 26 HB2 LEU 26 13.910 0.863 4.247 206 HB3 LEU 26 HB3 LEU 26 15.290 0.444 5.261 207 HG LEU 26 HG LEU 26 15.172 3.074 5.805 208 HD11 LEU 26 HD11 LEU 26 12.337 2.245 5.117 209 HD12 LEU 26 HD12 LEU 26 13.268 3.544 4.371 210 HD13 LEU 26 HD13 LEU 26 12.749 3.683 6.051 211 HD21 LEU 26 HD21 LEU 26 13.795 2.441 7.804 212 HD22 LEU 26 HD22 LEU 26 15.117 1.317 7.490 213 HD23 LEU 26 HD23 LEU 26 13.467 0.887 7.038 214 H LEU 27 HN LEU 27 15.738 0.176 1.747 215 HA LEU 27 HA LEU 27 18.523 -0.799 2.269 216 HB2 LEU 27 HB2 LEU 27 16.463 -2.166 3.162 217 HB3 LEU 27 HB3 LEU 27 16.253 -2.615 1.469 218 HG LEU 27 HG LEU 27 18.797 -3.204 1.559 219 HD11 LEU 27 HD11 LEU 27 19.066 -2.145 3.839 220 HD12 LEU 27 HD12 LEU 27 19.646 -3.809 3.739 221 HD13 LEU 27 HD13 LEU 27 18.091 -3.459 4.497 222 HD21 LEU 27 HD21 LEU 27 16.712 -4.855 3.025 223 HD22 LEU 27 HD22 LEU 27 18.239 -5.478 2.401 224 HD23 LEU 27 HD23 LEU 27 17.013 -4.871 1.287 225 HA PRO 28 HA PRO 28 17.531 -0.247 -2.272 226 HB2 PRO 28 HB2 PRO 28 18.387 2.309 -2.758 227 HB3 PRO 28 HB3 PRO 28 16.731 1.909 -2.269 228 HG2 PRO 28 HG2 PRO 28 18.816 3.256 -0.755 229 HG3 PRO 28 HG3 PRO 28 17.086 3.143 -0.433 230 HD2 PRO 28 HD2 PRO 28 19.244 1.630 0.766 231 HD3 PRO 28 HD3 PRO 28 17.530 1.659 1.199 232 H ASN 29 HN ASN 29 20.368 0.814 -0.425 233 HA ASN 29 HA ASN 29 22.195 0.490 -2.713 234 HB2 ASN 29 HB2 ASN 29 23.887 1.133 -1.037 235 HB3 ASN 29 HB3 ASN 29 22.501 2.218 -0.960 236 HD21 ASN 29 HD21 ASN 29 24.412 -0.036 0.863 237 HD22 ASN 29 HD22 ASN 29 23.473 -0.008 2.277 238 H ARG 30 HN ARG 30 21.229 -1.364 0.160 239 HA ARG 30 HA ARG 30 21.678 -3.587 0.798 240 HB2 ARG 30 HB2 ARG 30 20.933 -3.543 -1.781 241 HB3 ARG 30 HB3 ARG 30 22.562 -4.183 -1.995 242 HG2 ARG 30 HG2 ARG 30 22.071 -5.965 -0.348 243 HG3 ARG 30 HG3 ARG 30 20.431 -5.338 -0.171 244 HD2 ARG 30 HD2 ARG 30 21.407 -5.986 -2.936 245 HD3 ARG 30 HD3 ARG 30 20.914 -7.319 -1.873 246 HE ARG 30 HE ARG 30 18.848 -5.571 -1.528 247 HH11 ARG 30 HH21 ARG 30 19.080 -8.033 -3.510 248 HH12 ARG 30 HH22 ARG 30 18.323 -7.336 -4.903 249 HH21 ARG 30 HH11 ARG 30 18.470 -4.084 -3.679 250 HH22 ARG 30 HH12 ARG 30 17.977 -5.092 -5.000 Start of MODEL 9 1 HA HIS 1 HA HIS 1 -21.687 3.398 -2.869 2 HB2 HIS 1 HB2 HIS 1 -18.978 3.671 -4.142 3 HB3 HIS 1 HB3 HIS 1 -20.383 4.314 -4.991 4 HD1 HIS 1 HD1 HIS 1 -17.946 5.248 -2.511 5 HD2 HIS 1 HD2 HIS 1 -21.979 6.110 -3.124 6 HE1 HIS 1 HE1 HIS 1 -18.452 7.320 -1.146 7 H SER 2 HN SER 2 -23.151 2.899 -4.526 8 HA SER 2 HA SER 2 -24.297 1.381 -5.941 9 HB2 SER 2 HB2 SER 2 -23.122 1.273 -8.119 10 HB3 SER 2 HB3 SER 2 -23.015 2.879 -7.411 11 HG SER 2 HG SER 2 -21.044 0.833 -7.468 12 H VAL 3 HN VAL 3 -23.143 -0.111 -3.826 13 HA VAL 3 HA VAL 3 -22.391 -2.277 -3.244 14 HB VAL 3 HB VAL 3 -23.660 -2.892 -5.936 15 HG11 VAL 3 HG11 VAL 3 -22.808 -4.910 -5.100 16 HG12 VAL 3 HG12 VAL 3 -24.450 -4.906 -4.458 17 HG13 VAL 3 HG13 VAL 3 -23.097 -4.450 -3.422 18 HG21 VAL 3 HG21 VAL 3 -25.253 -1.513 -4.834 19 HG22 VAL 3 HG22 VAL 3 -24.877 -2.202 -3.255 20 HG23 VAL 3 HG23 VAL 3 -25.754 -3.159 -4.447 21 H SER 4 HN SER 4 -20.358 -0.702 -4.565 22 HA SER 4 HA SER 4 -19.066 -2.344 -6.613 23 HB2 SER 4 HB2 SER 4 -18.448 0.166 -5.077 24 HB3 SER 4 HB3 SER 4 -17.198 -0.597 -6.054 25 HG SER 4 HG SER 4 -18.198 0.036 -7.798 26 H HIS 5 HN HIS 5 -17.676 -1.178 -3.565 27 HA HIS 5 HA HIS 5 -16.934 -3.926 -2.769 28 HB2 HIS 5 HB2 HIS 5 -15.168 -1.962 -4.061 29 HB3 HIS 5 HB3 HIS 5 -14.508 -2.632 -2.569 30 HD1 HIS 5 HD1 HIS 5 -14.061 -3.276 -5.887 31 HD2 HIS 5 HD2 HIS 5 -15.428 -5.745 -2.819 32 HE1 HIS 5 HE1 HIS 5 -13.670 -5.657 -6.655 33 H ALA 6 HN ALA 6 -15.544 -0.785 -1.906 34 HA ALA 6 HA ALA 6 -15.333 0.278 0.200 35 HB1 ALA 6 HB1 ALA 6 -17.692 0.694 -0.422 36 HB2 ALA 6 HB2 ALA 6 -17.529 0.506 1.325 37 HB3 ALA 6 HB3 ALA 6 -18.162 -0.820 0.350 38 H ARG 7 HN ARG 7 -13.969 -2.023 0.393 39 HA ARG 7 HA ARG 7 -14.209 -2.802 3.168 40 HB2 ARG 7 HB2 ARG 7 -15.921 -4.101 1.332 41 HB3 ARG 7 HB3 ARG 7 -14.646 -5.263 1.697 42 HG2 ARG 7 HG2 ARG 7 -15.067 -5.114 4.058 43 HG3 ARG 7 HG3 ARG 7 -16.142 -3.733 3.838 44 HD2 ARG 7 HD2 ARG 7 -17.504 -5.739 4.167 45 HD3 ARG 7 HD3 ARG 7 -17.662 -5.232 2.475 46 HE ARG 7 HE ARG 7 -15.594 -7.258 3.225 47 HH11 ARG 7 HH21 ARG 7 -16.738 -6.065 0.476 48 HH12 ARG 7 HH22 ARG 7 -17.472 -7.505 -0.144 49 HH21 ARG 7 HH11 ARG 7 -17.253 -9.224 2.873 50 HH22 ARG 7 HH12 ARG 7 -17.764 -9.303 1.220 51 HA PRO 8 HA PRO 8 -10.782 -5.479 1.130 52 HB2 PRO 8 HB2 PRO 8 -10.503 -5.393 -1.596 53 HB3 PRO 8 HB3 PRO 8 -11.529 -6.574 -0.758 54 HG2 PRO 8 HG2 PRO 8 -12.291 -4.046 -2.137 55 HG3 PRO 8 HG3 PRO 8 -13.105 -5.618 -2.130 56 HD2 PRO 8 HD2 PRO 8 -13.931 -3.527 -0.622 57 HD3 PRO 8 HD3 PRO 8 -14.152 -5.218 -0.130 58 H ARG 9 HN ARG 9 -8.743 -4.863 -0.544 59 HA ARG 9 HA ARG 9 -7.667 -2.422 0.474 60 HB2 ARG 9 HB2 ARG 9 -6.937 -4.185 -1.886 61 HB3 ARG 9 HB3 ARG 9 -5.906 -2.887 -1.281 62 HG2 ARG 9 HG2 ARG 9 -6.339 -4.138 1.041 63 HG3 ARG 9 HG3 ARG 9 -6.581 -5.516 -0.032 64 HD2 ARG 9 HD2 ARG 9 -4.338 -5.731 -0.247 65 HD3 ARG 9 HD3 ARG 9 -4.246 -4.091 -0.917 66 HE ARG 9 HE ARG 9 -3.577 -3.320 1.214 67 HH11 ARG 9 HH21 ARG 9 -2.608 -6.145 1.742 68 HH12 ARG 9 HH22 ARG 9 -3.349 -6.485 3.270 69 HH21 ARG 9 HH11 ARG 9 -5.622 -3.865 3.049 70 HH22 ARG 9 HH12 ARG 9 -5.059 -5.189 4.013 71 H TRP 10 HN TRP 10 -8.122 -3.004 -3.041 72 HA TRP 10 HA TRP 10 -8.677 -1.509 -4.772 73 HB2 TRP 10 HB2 TRP 10 -10.854 -1.843 -3.665 74 HB3 TRP 10 HB3 TRP 10 -10.504 -0.527 -2.547 75 HD1 TRP 10 HD1 TRP 10 -11.366 1.758 -3.254 76 HE1 TRP 10 HE1 TRP 10 -12.103 2.853 -5.465 77 HE3 TRP 10 HE3 TRP 10 -10.312 -2.034 -6.510 78 HZ2 TRP 10 HZ2 TRP 10 -12.236 2.206 -8.249 79 HZ3 TRP 10 HZ3 TRP 10 -10.756 -1.767 -8.933 80 HH2 TRP 10 HH2 TRP 10 -11.715 0.345 -9.806 81 H PHE 11 HN PHE 11 -9.429 1.045 -2.474 82 HA PHE 11 HA PHE 11 -7.393 2.791 -3.631 83 HB2 PHE 11 HB2 PHE 11 -8.436 4.462 -2.230 84 HB3 PHE 11 HB3 PHE 11 -9.728 3.429 -2.832 85 HD1 PHE 11 HD1 PHE 11 -7.717 4.358 0.117 86 HD2 PHE 11 HD2 PHE 11 -10.908 1.879 -1.346 87 HE1 PHE 11 HE1 PHE 11 -8.382 3.834 2.447 88 HE2 PHE 11 HE2 PHE 11 -11.569 1.356 0.983 89 HZ PHE 11 HZ PHE 11 -10.307 2.333 2.881 90 H TRP 12 HN TRP 12 -7.771 0.888 -0.675 91 HA TRP 12 HA TRP 12 -5.561 2.022 0.791 92 HB2 TRP 12 HB2 TRP 12 -7.449 0.742 1.763 93 HB3 TRP 12 HB3 TRP 12 -6.905 -0.699 0.908 94 HD1 TRP 12 HD1 TRP 12 -4.900 -2.026 1.882 95 HE1 TRP 12 HE1 TRP 12 -3.552 -1.862 4.075 96 HE3 TRP 12 HE3 TRP 12 -6.522 2.508 3.572 97 HZ2 TRP 12 HZ2 TRP 12 -3.214 -0.045 6.261 98 HZ3 TRP 12 HZ3 TRP 12 -5.675 3.430 5.711 99 HH2 TRP 12 HH2 TRP 12 -4.024 2.161 7.055 100 H PHE 13 HN PHE 13 -5.712 -0.144 -1.889 101 HA PHE 13 HA PHE 13 -3.322 -1.669 -1.473 102 HB2 PHE 13 HB2 PHE 13 -5.259 -1.903 -3.193 103 HB3 PHE 13 HB3 PHE 13 -4.355 -0.728 -4.148 104 HD1 PHE 13 HD1 PHE 13 -2.035 -1.253 -4.918 105 HD2 PHE 13 HD2 PHE 13 -4.505 -4.175 -2.964 106 HE1 PHE 13 HE1 PHE 13 -0.542 -3.059 -5.731 107 HE2 PHE 13 HE2 PHE 13 -3.012 -5.980 -3.778 108 HZ PHE 13 HZ PHE 13 -1.030 -5.422 -5.161 109 H SER 14 HN SER 14 -3.929 1.514 -2.858 110 HA SER 14 HA SER 14 -1.286 2.029 -3.865 111 HB2 SER 14 HB2 SER 14 -3.684 3.235 -4.052 112 HB3 SER 14 HB3 SER 14 -2.991 4.222 -2.769 113 HG SER 14 HG SER 14 -2.122 3.837 -5.422 114 H LEU 15 HN LEU 15 -2.861 2.624 -0.766 115 HA LEU 15 HA LEU 15 -0.730 4.043 0.538 116 HB2 LEU 15 HB2 LEU 15 -3.095 3.900 1.299 117 HB3 LEU 15 HB3 LEU 15 -2.880 2.181 1.622 118 HG LEU 15 HG LEU 15 -0.861 3.919 2.894 119 HD11 LEU 15 HD11 LEU 15 -3.775 4.018 3.730 120 HD12 LEU 15 HD12 LEU 15 -2.809 5.374 3.149 121 HD13 LEU 15 HD13 LEU 15 -2.431 4.620 4.698 122 HD21 LEU 15 HD21 LEU 15 -2.380 1.427 3.386 123 HD22 LEU 15 HD22 LEU 15 -2.023 2.376 4.829 124 HD23 LEU 15 HD23 LEU 15 -0.710 1.825 3.790 125 H LEU 16 HN LEU 16 -1.532 0.571 0.304 126 HA LEU 16 HA LEU 16 0.557 -0.411 2.006 127 HB2 LEU 16 HB2 LEU 16 -1.546 -1.572 1.125 128 HB3 LEU 16 HB3 LEU 16 -0.682 -1.774 -0.398 129 HG LEU 16 HG LEU 16 0.943 -2.611 1.875 130 HD11 LEU 16 HD11 LEU 16 -0.333 -4.473 2.629 131 HD12 LEU 16 HD12 LEU 16 -1.529 -4.270 1.349 132 HD13 LEU 16 HD13 LEU 16 -1.447 -3.106 2.673 133 HD21 LEU 16 HD21 LEU 16 -0.137 -4.214 -0.460 134 HD22 LEU 16 HD22 LEU 16 1.338 -4.514 0.460 135 HD23 LEU 16 HD23 LEU 16 1.233 -3.112 -0.604 136 H LEU 17 HN LEU 17 0.396 0.150 -1.482 137 HA LEU 17 HA LEU 17 2.976 -0.857 -2.185 138 HB2 LEU 17 HB2 LEU 17 0.945 -0.113 -3.621 139 HB3 LEU 17 HB3 LEU 17 1.611 1.512 -3.469 140 HG LEU 17 HG LEU 17 3.604 -0.519 -4.222 141 HD11 LEU 17 HD11 LEU 17 1.588 -1.368 -5.426 142 HD12 LEU 17 HD12 LEU 17 2.830 -0.767 -6.524 143 HD13 LEU 17 HD13 LEU 17 1.408 0.216 -6.181 144 HD21 LEU 17 HD21 LEU 17 3.698 2.090 -4.192 145 HD22 LEU 17 HD22 LEU 17 2.843 1.977 -5.731 146 HD23 LEU 17 HD23 LEU 17 4.434 1.238 -5.550 147 H LEU 18 HN LEU 18 1.900 2.206 -0.875 148 HA LEU 18 HA LEU 18 4.353 3.682 -1.220 149 HB2 LEU 18 HB2 LEU 18 1.834 4.329 -0.634 150 HB3 LEU 18 HB3 LEU 18 2.419 4.181 1.020 151 HG LEU 18 HG LEU 18 2.590 6.509 0.140 152 HD11 LEU 18 HD11 LEU 18 5.406 5.517 0.425 153 HD12 LEU 18 HD12 LEU 18 4.286 5.310 1.772 154 HD13 LEU 18 HD13 LEU 18 4.636 6.926 1.158 155 HD21 LEU 18 HD21 LEU 18 3.177 5.546 -2.233 156 HD22 LEU 18 HD22 LEU 18 4.835 5.580 -1.634 157 HD23 LEU 18 HD23 LEU 18 3.896 7.071 -1.716 158 H ALA 19 HN ALA 19 3.022 1.688 1.381 159 HA ALA 19 HA ALA 19 5.102 2.179 3.321 160 HB1 ALA 19 HB1 ALA 19 3.128 1.255 4.173 161 HB2 ALA 19 HB2 ALA 19 4.158 -0.175 4.087 162 HB3 ALA 19 HB3 ALA 19 2.961 0.126 2.828 163 H ALA 20 HN ALA 20 4.689 -0.235 0.735 164 HA ALA 20 HA ALA 20 6.974 -1.866 1.381 165 HB1 ALA 20 HB1 ALA 20 5.317 -2.763 -0.059 166 HB2 ALA 20 HB2 ALA 20 6.668 -2.426 -1.143 167 HB3 ALA 20 HB3 ALA 20 5.297 -1.319 -1.073 168 H GLY 21 HN GLY 21 6.541 0.967 -0.757 169 HA2 GLY 21 HA2 GLY 21 9.174 0.996 -1.870 170 HA3 GLY 21 HA3 GLY 21 8.114 2.401 -1.745 171 H VAL 22 HN VAL 22 7.850 2.364 1.134 172 HA VAL 22 HA VAL 22 10.122 3.917 1.924 173 HB VAL 22 HB VAL 22 8.007 2.416 3.514 174 HG11 VAL 22 HG11 VAL 22 10.056 4.483 4.327 175 HG12 VAL 22 HG12 VAL 22 9.731 2.919 5.072 176 HG13 VAL 22 HG13 VAL 22 8.570 4.234 5.244 177 HG21 VAL 22 HG21 VAL 22 7.863 5.339 3.346 178 HG22 VAL 22 HG22 VAL 22 6.607 4.137 3.047 179 HG23 VAL 22 HG23 VAL 22 7.743 4.563 1.766 180 H GLY 23 HN GLY 23 9.309 0.474 2.415 181 HA2 GLY 23 HA2 GLY 23 11.527 -0.160 4.122 182 HA3 GLY 23 HA3 GLY 23 10.624 -1.326 3.154 183 H ILE 24 HN ILE 24 11.097 -0.504 0.578 184 HA ILE 24 HA ILE 24 13.762 -1.466 0.059 185 HB ILE 24 HB ILE 24 11.503 -0.219 -1.499 186 HG12 ILE 24 HG12 ILE 24 12.307 -2.541 -2.739 187 HG13 ILE 24 HG13 ILE 24 12.718 -2.873 -1.057 188 HG21 ILE 24 HG21 ILE 24 14.306 -0.735 -2.532 189 HG22 ILE 24 HG22 ILE 24 13.397 0.774 -2.605 190 HG23 ILE 24 HG23 ILE 24 12.898 -0.604 -3.586 191 HD11 ILE 24 HD11 ILE 24 10.019 -1.787 -1.887 192 HD12 ILE 24 HD12 ILE 24 10.471 -2.492 -0.335 193 HD13 ILE 24 HD13 ILE 24 10.352 -3.514 -1.766 194 H TYR 25 HN TYR 25 12.409 1.819 0.388 195 HA TYR 25 HA TYR 25 14.643 3.261 -0.696 196 HB2 TYR 25 HB2 TYR 25 12.310 4.101 -0.089 197 HB3 TYR 25 HB3 TYR 25 12.851 4.119 1.592 198 HD1 TYR 25 HD2 TYR 25 13.335 5.604 -1.759 199 HD2 TYR 25 HD1 TYR 25 14.502 5.722 2.374 200 HE1 TYR 25 HE2 TYR 25 14.440 7.792 -2.133 201 HE2 TYR 25 HE1 TYR 25 15.609 7.908 1.999 202 HH TYR 25 HH TYR 25 15.069 9.899 -0.136 203 H LEU 26 HN LEU 26 14.114 1.668 2.392 204 HA LEU 26 HA LEU 26 16.382 2.936 3.750 205 HB2 LEU 26 HB2 LEU 26 14.213 1.033 4.284 206 HB3 LEU 26 HB3 LEU 26 15.727 0.551 5.047 207 HG LEU 26 HG LEU 26 15.844 3.074 5.778 208 HD11 LEU 26 HD11 LEU 26 12.851 2.699 5.474 209 HD12 LEU 26 HD12 LEU 26 13.832 3.665 4.372 210 HD13 LEU 26 HD13 LEU 26 13.690 4.132 6.066 211 HD21 LEU 26 HD21 LEU 26 14.406 2.477 7.795 212 HD22 LEU 26 HD22 LEU 26 15.680 1.319 7.410 213 HD23 LEU 26 HD23 LEU 26 14.009 0.974 6.963 214 H LEU 27 HN LEU 27 15.805 0.134 1.709 215 HA LEU 27 HA LEU 27 18.714 -0.575 1.892 216 HB2 LEU 27 HB2 LEU 27 16.911 -2.051 3.084 217 HB3 LEU 27 HB3 LEU 27 16.501 -2.577 1.451 218 HG LEU 27 HG LEU 27 19.266 -2.737 1.462 219 HD11 LEU 27 HD11 LEU 27 18.233 -3.766 4.123 220 HD12 LEU 27 HD12 LEU 27 19.247 -2.337 3.921 221 HD13 LEU 27 HD13 LEU 27 19.877 -3.931 3.506 222 HD21 LEU 27 HD21 LEU 27 17.169 -4.841 2.078 223 HD22 LEU 27 HD22 LEU 27 18.842 -5.212 1.661 224 HD23 LEU 27 HD23 LEU 27 17.799 -4.405 0.489 225 HA PRO 28 HA PRO 28 17.238 -0.310 -2.527 226 HB2 PRO 28 HB2 PRO 28 17.879 2.267 -3.194 227 HB3 PRO 28 HB3 PRO 28 16.313 1.798 -2.506 228 HG2 PRO 28 HG2 PRO 28 18.466 3.324 -1.289 229 HG3 PRO 28 HG3 PRO 28 16.797 3.121 -0.762 230 HD2 PRO 28 HD2 PRO 28 19.179 1.778 0.207 231 HD3 PRO 28 HD3 PRO 28 17.537 1.748 0.863 232 H ASN 29 HN ASN 29 20.175 0.674 -0.908 233 HA ASN 29 HA ASN 29 21.816 0.601 -3.366 234 HB2 ASN 29 HB2 ASN 29 21.929 1.987 -1.031 235 HB3 ASN 29 HB3 ASN 29 23.037 0.667 -0.658 236 HD21 ASN 29 HD21 ASN 29 24.571 0.199 -2.757 237 HD22 ASN 29 HD22 ASN 29 25.279 1.599 -3.408 238 H ARG 30 HN ARG 30 20.534 -1.785 -1.372 239 HA ARG 30 HA ARG 30 22.938 -3.512 -1.321 240 HB2 ARG 30 HB2 ARG 30 21.201 -3.260 0.536 241 HB3 ARG 30 HB3 ARG 30 20.083 -4.134 -0.511 242 HG2 ARG 30 HG2 ARG 30 22.738 -5.401 -0.196 243 HG3 ARG 30 HG3 ARG 30 21.763 -5.345 1.274 244 HD2 ARG 30 HD2 ARG 30 19.961 -6.546 0.241 245 HD3 ARG 30 HD3 ARG 30 20.670 -6.351 -1.374 246 HE ARG 30 HE ARG 30 22.448 -7.897 -0.733 247 HH11 ARG 30 HH11 ARG 30 20.015 -9.486 -0.046 248 HH12 ARG 30 HH12 ARG 30 20.354 -10.008 1.570 249 HH21 ARG 30 HH21 ARG 30 22.878 -7.670 2.072 250 HH22 ARG 30 HH22 ARG 30 21.981 -8.973 2.776 Start of MODEL 10 1 HA HIS 1 HA HIS 1 -15.767 -4.460 15.090 2 HB2 HIS 1 HB2 HIS 1 -13.392 -5.882 16.296 3 HB3 HIS 1 HB3 HIS 1 -13.457 -5.559 14.564 4 HD1 HIS 1 HD1 HIS 1 -12.691 -3.974 17.783 5 HD2 HIS 1 HD2 HIS 1 -13.734 -2.672 13.962 6 HE1 HIS 1 HE1 HIS 1 -12.122 -1.508 17.685 7 H SER 2 HN SER 2 -16.026 -5.701 13.141 8 HA SER 2 HA SER 2 -16.936 -8.517 13.597 9 HB2 SER 2 HB2 SER 2 -18.163 -8.097 11.459 10 HB3 SER 2 HB3 SER 2 -18.562 -6.914 12.701 11 HG SER 2 HG SER 2 -16.987 -6.646 10.385 12 H VAL 3 HN VAL 3 -14.068 -7.840 13.304 13 HA VAL 3 HA VAL 3 -12.168 -8.518 12.085 14 HB VAL 3 HB VAL 3 -14.158 -10.578 11.065 15 HG11 VAL 3 HG11 VAL 3 -11.214 -10.276 10.987 16 HG12 VAL 3 HG12 VAL 3 -12.279 -11.204 9.932 17 HG13 VAL 3 HG13 VAL 3 -11.788 -11.866 11.491 18 HG21 VAL 3 HG21 VAL 3 -14.352 -10.546 13.460 19 HG22 VAL 3 HG22 VAL 3 -12.607 -10.383 13.662 20 HG23 VAL 3 HG23 VAL 3 -13.289 -11.897 13.069 21 H SER 4 HN SER 4 -13.455 -6.363 10.856 22 HA SER 4 HA SER 4 -13.683 -7.040 7.967 23 HB2 SER 4 HB2 SER 4 -15.249 -5.537 9.500 24 HB3 SER 4 HB3 SER 4 -14.056 -4.301 9.115 25 HG SER 4 HG SER 4 -14.540 -4.493 6.985 26 H HIS 5 HN HIS 5 -11.440 -5.718 10.208 27 HA HIS 5 HA HIS 5 -9.911 -4.280 8.095 28 HB2 HIS 5 HB2 HIS 5 -9.938 -4.403 11.104 29 HB3 HIS 5 HB3 HIS 5 -8.522 -3.765 10.267 30 HD1 HIS 5 HD1 HIS 5 -8.941 -1.661 8.679 31 HD2 HIS 5 HD2 HIS 5 -12.139 -2.669 11.158 32 HE1 HIS 5 HE1 HIS 5 -10.507 0.331 8.675 33 H ALA 6 HN ALA 6 -10.054 -7.185 7.971 34 HA ALA 6 HA ALA 6 -7.154 -7.796 8.088 35 HB1 ALA 6 HB1 ALA 6 -7.526 -9.775 9.459 36 HB2 ALA 6 HB2 ALA 6 -9.270 -9.509 9.432 37 HB3 ALA 6 HB3 ALA 6 -8.220 -8.385 10.294 38 H ARG 7 HN ARG 7 -8.900 -7.400 5.837 39 HA ARG 7 HA ARG 7 -8.466 -9.904 4.404 40 HB2 ARG 7 HB2 ARG 7 -10.924 -9.463 5.816 41 HB3 ARG 7 HB3 ARG 7 -11.268 -9.428 4.087 42 HG2 ARG 7 HG2 ARG 7 -9.825 -11.567 3.948 43 HG3 ARG 7 HG3 ARG 7 -10.016 -11.648 5.700 44 HD2 ARG 7 HD2 ARG 7 -11.876 -12.886 5.045 45 HD3 ARG 7 HD3 ARG 7 -12.595 -11.262 5.047 46 HE ARG 7 HE ARG 7 -11.577 -12.663 2.606 47 HH11 ARG 7 HH21 ARG 7 -14.501 -12.214 2.922 48 HH12 ARG 7 HH22 ARG 7 -14.757 -10.747 2.038 49 HH21 ARG 7 HH11 ARG 7 -11.389 -9.876 2.003 50 HH22 ARG 7 HH12 ARG 7 -12.986 -9.417 1.515 51 HA PRO 8 HA PRO 8 -10.317 -6.759 1.343 52 HB2 PRO 8 HB2 PRO 8 -11.521 -4.488 2.284 53 HB3 PRO 8 HB3 PRO 8 -12.397 -6.009 2.021 54 HG2 PRO 8 HG2 PRO 8 -11.377 -4.827 4.551 55 HG3 PRO 8 HG3 PRO 8 -12.872 -5.723 4.243 56 HD2 PRO 8 HD2 PRO 8 -10.660 -6.813 5.419 57 HD3 PRO 8 HD3 PRO 8 -11.864 -7.751 4.512 58 H ARG 9 HN ARG 9 -8.319 -6.047 0.665 59 HA ARG 9 HA ARG 9 -6.874 -3.985 2.279 60 HB2 ARG 9 HB2 ARG 9 -6.129 -6.030 0.186 61 HB3 ARG 9 HB3 ARG 9 -5.020 -4.731 0.621 62 HG2 ARG 9 HG2 ARG 9 -6.167 -6.038 2.971 63 HG3 ARG 9 HG3 ARG 9 -5.273 -7.162 1.948 64 HD2 ARG 9 HD2 ARG 9 -3.266 -5.872 2.102 65 HD3 ARG 9 HD3 ARG 9 -4.130 -4.479 2.783 66 HE ARG 9 HE ARG 9 -4.487 -5.774 4.840 67 HH11 ARG 9 HH11 ARG 9 -1.482 -5.979 3.864 68 HH12 ARG 9 HH12 ARG 9 -1.152 -7.614 4.330 69 HH21 ARG 9 HH21 ARG 9 -4.498 -8.417 4.843 70 HH22 ARG 9 HH22 ARG 9 -2.870 -9.002 4.886 71 H TRP 10 HN TRP 10 -9.177 -3.700 0.091 72 HA TRP 10 HA TRP 10 -8.084 -2.321 -2.167 73 HB2 TRP 10 HB2 TRP 10 -10.411 -3.226 -1.867 74 HB3 TRP 10 HB3 TRP 10 -10.737 -1.905 -0.744 75 HD1 TRP 10 HD1 TRP 10 -10.172 -2.643 -4.437 76 HE1 TRP 10 HE1 TRP 10 -10.857 -0.576 -5.818 77 HE3 TRP 10 HE3 TRP 10 -10.988 0.704 -0.667 78 HZ2 TRP 10 HZ2 TRP 10 -11.648 2.139 -5.380 79 HZ3 TRP 10 HZ3 TRP 10 -11.705 3.020 -1.176 80 HH2 TRP 10 HH2 TRP 10 -12.036 3.742 -3.526 81 H PHE 11 HN PHE 11 -9.282 -1.087 0.974 82 HA PHE 11 HA PHE 11 -8.733 1.697 0.420 83 HB2 PHE 11 HB2 PHE 11 -10.346 0.876 2.094 84 HB3 PHE 11 HB3 PHE 11 -9.038 0.125 3.004 85 HD1 PHE 11 HD2 PHE 11 -10.519 3.352 1.944 86 HD2 PHE 11 HD1 PHE 11 -7.559 1.432 4.394 87 HE1 PHE 11 HE2 PHE 11 -10.130 5.485 3.146 88 HE2 PHE 11 HE1 PHE 11 -7.171 3.566 5.597 89 HZ PHE 11 HZ PHE 11 -8.456 5.592 4.973 90 H TRP 12 HN TRP 12 -6.740 -0.979 1.501 91 HA TRP 12 HA TRP 12 -4.548 0.886 2.309 92 HB2 TRP 12 HB2 TRP 12 -5.123 -2.056 2.753 93 HB3 TRP 12 HB3 TRP 12 -3.622 -1.282 3.259 94 HD1 TRP 12 HD1 TRP 12 -7.169 -1.795 4.281 95 HE1 TRP 12 HE1 TRP 12 -7.673 -0.473 6.436 96 HE3 TRP 12 HE3 TRP 12 -2.964 1.087 4.552 97 HZ2 TRP 12 HZ2 TRP 12 -6.451 1.540 8.062 98 HZ3 TRP 12 HZ3 TRP 12 -2.659 2.697 6.410 99 HH2 TRP 12 HH2 TRP 12 -4.396 2.926 8.165 100 H PHE 13 HN PHE 13 -5.475 -0.261 -0.542 101 HA PHE 13 HA PHE 13 -3.192 -1.749 -1.506 102 HB2 PHE 13 HB2 PHE 13 -5.648 -1.425 -2.407 103 HB3 PHE 13 HB3 PHE 13 -4.952 -0.029 -3.231 104 HD1 PHE 13 HD1 PHE 13 -4.852 -3.708 -2.901 105 HD2 PHE 13 HD2 PHE 13 -3.354 -0.291 -5.030 106 HE1 PHE 13 HE1 PHE 13 -3.907 -5.206 -4.640 107 HE2 PHE 13 HE2 PHE 13 -2.411 -1.788 -6.769 108 HZ PHE 13 HZ PHE 13 -2.687 -4.245 -6.573 109 H SER 14 HN SER 14 -4.188 1.636 -1.901 110 HA SER 14 HA SER 14 -1.804 2.535 -3.225 111 HB2 SER 14 HB2 SER 14 -2.685 4.788 -2.306 112 HB3 SER 14 HB3 SER 14 -3.769 3.880 -3.355 113 HG SER 14 HG SER 14 -4.226 4.686 -0.902 114 H LEU 15 HN LEU 15 -2.751 2.222 0.131 115 HA LEU 15 HA LEU 15 -0.513 3.583 1.338 116 HB2 LEU 15 HB2 LEU 15 -2.861 2.039 2.068 117 HB3 LEU 15 HB3 LEU 15 -1.485 1.530 3.040 118 HG LEU 15 HG LEU 15 -2.759 3.411 4.076 119 HD11 LEU 15 HD11 LEU 15 -0.356 3.110 4.551 120 HD12 LEU 15 HD12 LEU 15 -0.792 4.818 4.549 121 HD13 LEU 15 HD13 LEU 15 0.045 4.121 3.163 122 HD21 LEU 15 HD21 LEU 15 -1.660 5.150 1.864 123 HD22 LEU 15 HD22 LEU 15 -2.900 5.541 3.054 124 HD23 LEU 15 HD23 LEU 15 -3.262 4.420 1.742 125 H LEU 16 HN LEU 16 -1.145 0.169 0.485 126 HA LEU 16 HA LEU 16 1.311 -0.904 1.521 127 HB2 LEU 16 HB2 LEU 16 -0.943 -1.991 0.686 128 HB3 LEU 16 HB3 LEU 16 -0.133 -2.001 -0.880 129 HG LEU 16 HG LEU 16 1.371 -3.047 1.488 130 HD11 LEU 16 HD11 LEU 16 -0.877 -4.087 1.657 131 HD12 LEU 16 HD12 LEU 16 0.357 -5.264 1.210 132 HD13 LEU 16 HD13 LEU 16 -0.737 -4.628 -0.016 133 HD21 LEU 16 HD21 LEU 16 2.680 -3.161 -0.423 134 HD22 LEU 16 HD22 LEU 16 1.293 -3.400 -1.486 135 HD23 LEU 16 HD23 LEU 16 1.892 -4.735 -0.502 136 H LEU 17 HN LEU 17 0.392 0.439 -1.605 137 HA LEU 17 HA LEU 17 2.774 -0.168 -3.065 138 HB2 LEU 17 HB2 LEU 17 0.416 0.821 -3.725 139 HB3 LEU 17 HB3 LEU 17 1.210 2.371 -3.437 140 HG LEU 17 HG LEU 17 3.107 1.289 -4.955 141 HD11 LEU 17 HD11 LEU 17 2.008 -0.894 -5.169 142 HD12 LEU 17 HD12 LEU 17 2.072 -0.098 -6.741 143 HD13 LEU 17 HD13 LEU 17 0.564 -0.121 -5.825 144 HD21 LEU 17 HD21 LEU 17 2.148 2.456 -6.845 145 HD22 LEU 17 HD22 LEU 17 1.714 3.351 -5.390 146 HD23 LEU 17 HD23 LEU 17 0.525 2.311 -6.172 147 H LEU 18 HN LEU 18 1.917 2.445 -0.884 148 HA LEU 18 HA LEU 18 4.289 4.054 -1.313 149 HB2 LEU 18 HB2 LEU 18 1.935 4.613 -0.315 150 HB3 LEU 18 HB3 LEU 18 2.614 3.998 1.192 151 HG LEU 18 HG LEU 18 4.614 5.608 0.625 152 HD11 LEU 18 HD11 LEU 18 3.819 7.644 -0.574 153 HD12 LEU 18 HD12 LEU 18 2.316 6.804 -0.955 154 HD13 LEU 18 HD13 LEU 18 3.843 6.220 -1.616 155 HD21 LEU 18 HD21 LEU 18 2.296 5.794 2.206 156 HD22 LEU 18 HD22 LEU 18 2.418 7.353 1.390 157 HD23 LEU 18 HD23 LEU 18 3.761 6.762 2.368 158 H ALA 19 HN ALA 19 3.364 1.499 0.925 159 HA ALA 19 HA ALA 19 5.640 1.657 2.686 160 HB1 ALA 19 HB1 ALA 19 4.747 -0.357 3.563 161 HB2 ALA 19 HB2 ALA 19 4.096 -0.848 2.000 162 HB3 ALA 19 HB3 ALA 19 3.334 0.464 2.898 163 H ALA 20 HN ALA 20 5.041 -0.002 -0.393 164 HA ALA 20 HA ALA 20 7.424 -1.655 -0.346 165 HB1 ALA 20 HB1 ALA 20 5.434 -0.704 -2.412 166 HB2 ALA 20 HB2 ALA 20 5.641 -2.327 -1.754 167 HB3 ALA 20 HB3 ALA 20 6.829 -1.677 -2.883 168 H GLY 21 HN GLY 21 6.635 1.515 -1.825 169 HA2 GLY 21 HA2 GLY 21 9.210 1.867 -3.078 170 HA3 GLY 21 HA3 GLY 21 8.035 3.148 -2.777 171 H VAL 22 HN VAL 22 7.811 3.295 -0.094 172 HA VAL 22 HA VAL 22 10.238 4.593 0.752 173 HB VAL 22 HB VAL 22 7.776 3.607 2.240 174 HG11 VAL 22 HG11 VAL 22 8.546 5.509 3.849 175 HG12 VAL 22 HG12 VAL 22 10.131 5.276 3.111 176 HG13 VAL 22 HG13 VAL 22 9.348 3.943 3.960 177 HG21 VAL 22 HG21 VAL 22 8.304 6.488 1.721 178 HG22 VAL 22 HG22 VAL 22 6.783 5.599 1.678 179 HG23 VAL 22 HG23 VAL 22 7.893 5.511 0.312 180 H GLY 23 HN GLY 23 8.891 1.352 1.383 181 HA2 GLY 23 HA2 GLY 23 10.738 0.554 3.409 182 HA3 GLY 23 HA3 GLY 23 9.857 -0.551 2.354 183 H ILE 24 HN ILE 24 10.845 0.095 -0.148 184 HA ILE 24 HA ILE 24 13.397 -1.243 -0.188 185 HB ILE 24 HB ILE 24 11.790 0.369 -2.197 186 HG12 ILE 24 HG12 ILE 24 10.903 -1.837 -1.372 187 HG13 ILE 24 HG13 ILE 24 11.225 -1.813 -3.105 188 HG21 ILE 24 HG21 ILE 24 13.995 0.572 -3.040 189 HG22 ILE 24 HG22 ILE 24 13.335 -0.827 -3.887 190 HG23 ILE 24 HG23 ILE 24 14.433 -1.057 -2.526 191 HD11 ILE 24 HD11 ILE 24 13.389 -2.930 -2.729 192 HD12 ILE 24 HD12 ILE 24 12.071 -3.891 -2.058 193 HD13 ILE 24 HD13 ILE 24 13.095 -2.930 -0.991 194 H TYR 25 HN TYR 25 12.487 2.218 -0.272 195 HA TYR 25 HA TYR 25 15.091 3.243 -0.937 196 HB2 TYR 25 HB2 TYR 25 12.740 4.370 -0.824 197 HB3 TYR 25 HB3 TYR 25 13.122 4.626 0.880 198 HD1 TYR 25 HD1 TYR 25 14.995 6.063 1.559 199 HD2 TYR 25 HD2 TYR 25 14.003 5.494 -2.583 200 HE1 TYR 25 HE1 TYR 25 16.411 8.007 0.951 201 HE2 TYR 25 HE2 TYR 25 15.417 7.439 -3.188 202 HH TYR 25 HH TYR 25 16.245 9.718 -1.471 203 H LEU 26 HN LEU 26 13.673 2.084 2.073 204 HA LEU 26 HA LEU 26 15.803 3.146 3.789 205 HB2 LEU 26 HB2 LEU 26 13.278 1.659 3.990 206 HB3 LEU 26 HB3 LEU 26 14.503 1.064 5.110 207 HG LEU 26 HG LEU 26 14.878 3.633 5.592 208 HD11 LEU 26 HD11 LEU 26 12.858 4.962 5.364 209 HD12 LEU 26 HD12 LEU 26 11.980 3.582 4.704 210 HD13 LEU 26 HD13 LEU 26 13.287 4.320 3.778 211 HD21 LEU 26 HD21 LEU 26 12.438 2.135 6.606 212 HD22 LEU 26 HD22 LEU 26 13.241 3.477 7.423 213 HD23 LEU 26 HD23 LEU 26 14.079 1.939 7.222 214 H LEU 27 HN LEU 27 15.188 0.268 1.884 215 HA LEU 27 HA LEU 27 17.807 -0.884 2.785 216 HB2 LEU 27 HB2 LEU 27 15.362 -1.842 3.457 217 HB3 LEU 27 HB3 LEU 27 15.580 -2.668 1.915 218 HG LEU 27 HG LEU 27 16.428 -4.026 3.812 219 HD11 LEU 27 HD11 LEU 27 17.509 -4.109 1.535 220 HD12 LEU 27 HD12 LEU 27 18.575 -4.581 2.859 221 HD13 LEU 27 HD13 LEU 27 18.724 -2.980 2.135 222 HD21 LEU 27 HD21 LEU 27 17.769 -3.186 5.438 223 HD22 LEU 27 HD22 LEU 27 17.284 -1.603 4.830 224 HD23 LEU 27 HD23 LEU 27 18.791 -2.337 4.279 225 HA PRO 28 HA PRO 28 17.402 -0.856 -1.869 226 HB2 PRO 28 HB2 PRO 28 18.599 1.512 -2.549 227 HB3 PRO 28 HB3 PRO 28 16.863 1.354 -2.226 228 HG2 PRO 28 HG2 PRO 28 18.906 2.680 -0.644 229 HG3 PRO 28 HG3 PRO 28 17.151 2.773 -0.518 230 HD2 PRO 28 HD2 PRO 28 19.004 1.219 1.089 231 HD3 PRO 28 HD3 PRO 28 17.274 1.496 1.334 232 H ASN 29 HN ASN 29 20.027 -0.108 0.318 233 HA ASN 29 HA ASN 29 22.082 -0.935 -1.679 234 HB2 ASN 29 HB2 ASN 29 21.978 1.101 0.120 235 HB3 ASN 29 HB3 ASN 29 22.796 -0.125 1.089 236 HD21 ASN 29 HD21 ASN 29 24.752 -1.205 -0.060 237 HD22 ASN 29 HD22 ASN 29 25.696 -0.214 -1.065 238 H ARG 30 HN ARG 30 20.075 -2.535 0.382 239 HA ARG 30 HA ARG 30 20.139 -4.659 1.384 240 HB2 ARG 30 HB2 ARG 30 22.087 -4.576 -0.746 241 HB3 ARG 30 HB3 ARG 30 22.673 -5.619 0.548 242 HG2 ARG 30 HG2 ARG 30 19.815 -5.979 -0.072 243 HG3 ARG 30 HG3 ARG 30 20.896 -6.393 -1.403 244 HD2 ARG 30 HD2 ARG 30 20.986 -8.418 -0.297 245 HD3 ARG 30 HD3 ARG 30 22.220 -7.578 0.664 246 HE ARG 30 HE ARG 30 19.446 -7.167 1.574 247 HH11 ARG 30 HH11 ARG 30 19.816 -10.042 1.962 248 HH12 ARG 30 HH12 ARG 30 20.625 -10.146 3.490 249 HH21 ARG 30 HH21 ARG 30 21.613 -6.809 3.487 250 HH22 ARG 30 HH22 ARG 30 21.643 -8.307 4.359 Start of MODEL 11 1 HA HIS 1 HA HIS 1 -16.557 10.147 1.881 2 HB2 HIS 1 HB2 HIS 1 -18.975 11.847 1.671 3 HB3 HIS 1 HB3 HIS 1 -17.794 12.383 2.866 4 HD1 HIS 1 HD1 HIS 1 -15.162 12.195 1.777 5 HD2 HIS 1 HD2 HIS 1 -18.364 12.878 -0.805 6 HE1 HIS 1 HE1 HIS 1 -14.177 13.161 -0.346 7 H SER 2 HN SER 2 -16.460 11.555 4.215 8 HA SER 2 HA SER 2 -16.441 11.325 6.560 9 HB2 SER 2 HB2 SER 2 -19.017 11.279 5.750 10 HB3 SER 2 HB3 SER 2 -18.924 9.670 6.459 11 HG SER 2 HG SER 2 -19.475 11.110 8.069 12 H VAL 3 HN VAL 3 -14.584 9.796 6.000 13 HA VAL 3 HA VAL 3 -13.419 7.784 6.383 14 HB VAL 3 HB VAL 3 -15.835 7.234 8.140 15 HG11 VAL 3 HG11 VAL 3 -14.704 5.278 8.402 16 HG12 VAL 3 HG12 VAL 3 -13.626 6.237 9.416 17 HG13 VAL 3 HG13 VAL 3 -13.214 5.937 7.729 18 HG21 VAL 3 HG21 VAL 3 -15.087 9.304 8.931 19 HG22 VAL 3 HG22 VAL 3 -13.412 8.983 8.482 20 HG23 VAL 3 HG23 VAL 3 -14.114 8.191 9.893 21 H SER 4 HN SER 4 -14.247 7.476 4.013 22 HA SER 4 HA SER 4 -15.688 4.866 3.883 23 HB2 SER 4 HB2 SER 4 -17.086 6.989 3.420 24 HB3 SER 4 HB3 SER 4 -16.149 7.122 1.935 25 HG SER 4 HG SER 4 -18.029 5.207 2.725 26 H HIS 5 HN HIS 5 -14.192 7.187 1.631 27 HA HIS 5 HA HIS 5 -12.588 4.918 0.495 28 HB2 HIS 5 HB2 HIS 5 -14.351 6.901 -0.630 29 HB3 HIS 5 HB3 HIS 5 -12.734 7.126 -1.295 30 HD1 HIS 5 HD1 HIS 5 -12.484 5.830 -3.398 31 HD2 HIS 5 HD2 HIS 5 -14.848 3.792 -0.633 32 HE1 HIS 5 HE1 HIS 5 -13.099 3.619 -4.470 33 H ALA 6 HN ALA 6 -11.773 6.607 2.784 34 HA ALA 6 HA ALA 6 -9.078 7.242 1.986 35 HB1 ALA 6 HB1 ALA 6 -11.044 9.534 2.338 36 HB2 ALA 6 HB2 ALA 6 -10.223 9.090 0.842 37 HB3 ALA 6 HB3 ALA 6 -9.297 9.730 2.199 38 H ARG 7 HN ARG 7 -10.095 5.751 4.133 39 HA ARG 7 HA ARG 7 -8.832 7.013 6.412 40 HB2 ARG 7 HB2 ARG 7 -11.584 7.635 5.861 41 HB3 ARG 7 HB3 ARG 7 -11.503 6.714 7.361 42 HG2 ARG 7 HG2 ARG 7 -9.724 9.099 6.795 43 HG3 ARG 7 HG3 ARG 7 -11.272 9.231 7.629 44 HD2 ARG 7 HD2 ARG 7 -9.131 7.306 8.575 45 HD3 ARG 7 HD3 ARG 7 -9.195 8.989 9.134 46 HE ARG 7 HE ARG 7 -11.703 8.376 9.663 47 HH11 ARG 7 HH21 ARG 7 -11.092 5.446 9.014 48 HH12 ARG 7 HH22 ARG 7 -10.836 4.804 10.600 49 HH21 ARG 7 HH11 ARG 7 -10.458 7.922 12.090 50 HH22 ARG 7 HH12 ARG 7 -10.478 6.208 12.348 51 HA PRO 8 HA PRO 8 -10.716 2.912 7.901 52 HB2 PRO 8 HB2 PRO 8 -12.577 1.607 6.374 53 HB3 PRO 8 HB3 PRO 8 -12.995 2.835 7.585 54 HG2 PRO 8 HG2 PRO 8 -12.886 3.054 4.633 55 HG3 PRO 8 HG3 PRO 8 -13.947 3.864 5.791 56 HD2 PRO 8 HD2 PRO 8 -11.747 5.012 4.564 57 HD3 PRO 8 HD3 PRO 8 -12.521 5.607 6.047 58 H ARG 9 HN ARG 9 -11.430 1.762 4.607 59 HA ARG 9 HA ARG 9 -8.669 0.605 4.440 60 HB2 ARG 9 HB2 ARG 9 -11.352 -0.788 4.105 61 HB3 ARG 9 HB3 ARG 9 -9.801 -1.524 3.701 62 HG2 ARG 9 HG2 ARG 9 -9.300 -0.633 6.232 63 HG3 ARG 9 HG3 ARG 9 -11.015 -1.019 6.351 64 HD2 ARG 9 HD2 ARG 9 -10.342 -3.173 6.679 65 HD3 ARG 9 HD3 ARG 9 -9.956 -3.190 4.947 66 HE ARG 9 HE ARG 9 -7.667 -3.018 5.515 67 HH11 ARG 9 HH21 ARG 9 -8.446 -4.207 8.207 68 HH12 ARG 9 HH22 ARG 9 -7.697 -3.093 9.301 69 HH21 ARG 9 HH11 ARG 9 -7.238 -0.635 6.884 70 HH22 ARG 9 HH12 ARG 9 -7.010 -1.059 8.549 71 H TRP 10 HN TRP 10 -11.733 0.629 2.528 72 HA TRP 10 HA TRP 10 -10.797 0.411 -0.050 73 HB2 TRP 10 HB2 TRP 10 -13.024 1.750 1.321 74 HB3 TRP 10 HB3 TRP 10 -12.648 2.477 -0.241 75 HD1 TRP 10 HD1 TRP 10 -14.344 -0.441 1.301 76 HE1 TRP 10 HE1 TRP 10 -15.099 -2.102 -0.521 77 HE3 TRP 10 HE3 TRP 10 -11.822 1.447 -2.720 78 HZ2 TRP 10 HZ2 TRP 10 -14.690 -2.567 -3.313 79 HZ3 TRP 10 HZ3 TRP 10 -12.024 0.378 -4.946 80 HH2 TRP 10 HH2 TRP 10 -13.453 -1.626 -5.248 81 H PHE 11 HN PHE 11 -9.593 1.588 -1.467 82 HA PHE 11 HA PHE 11 -8.461 3.424 -2.447 83 HB2 PHE 11 HB2 PHE 11 -10.380 4.671 -1.051 84 HB3 PHE 11 HB3 PHE 11 -8.989 5.184 -0.094 85 HD1 PHE 11 HD1 PHE 11 -10.445 5.151 -3.513 86 HD2 PHE 11 HD2 PHE 11 -7.403 6.764 -0.945 87 HE1 PHE 11 HE1 PHE 11 -9.871 6.827 -5.249 88 HE2 PHE 11 HE2 PHE 11 -6.827 8.441 -2.682 89 HZ PHE 11 HZ PHE 11 -8.062 8.471 -4.832 90 H TRP 12 HN TRP 12 -7.850 2.046 0.630 91 HA TRP 12 HA TRP 12 -5.262 3.418 1.017 92 HB2 TRP 12 HB2 TRP 12 -5.386 2.543 3.139 93 HB3 TRP 12 HB3 TRP 12 -7.090 2.533 2.737 94 HD1 TRP 12 HD1 TRP 12 -5.373 0.561 4.753 95 HE1 TRP 12 HE1 TRP 12 -5.710 -1.976 4.503 96 HE3 TRP 12 HE3 TRP 12 -7.316 0.362 0.017 97 HZ2 TRP 12 HZ2 TRP 12 -6.672 -3.841 2.578 98 HZ3 TRP 12 HZ3 TRP 12 -7.935 -1.811 -0.985 99 HH2 TRP 12 HH2 TRP 12 -7.617 -3.913 0.288 100 H PHE 13 HN PHE 13 -6.081 1.325 -1.215 101 HA PHE 13 HA PHE 13 -4.236 -0.882 -0.877 102 HB2 PHE 13 HB2 PHE 13 -5.995 -1.381 -2.306 103 HB3 PHE 13 HB3 PHE 13 -6.061 0.254 -2.955 104 HD1 PHE 13 HD2 PHE 13 -3.961 -2.845 -2.956 105 HD2 PHE 13 HD1 PHE 13 -5.042 0.768 -5.013 106 HE1 PHE 13 HE2 PHE 13 -2.626 -3.563 -4.918 107 HE2 PHE 13 HE1 PHE 13 -3.706 0.049 -6.977 108 HZ PHE 13 HZ PHE 13 -2.498 -2.116 -6.929 109 H SER 14 HN SER 14 -4.169 2.188 -2.638 110 HA SER 14 HA SER 14 -1.588 1.845 -3.859 111 HB2 SER 14 HB2 SER 14 -3.663 3.796 -3.685 112 HB3 SER 14 HB3 SER 14 -2.156 4.596 -3.243 113 HG SER 14 HG SER 14 -2.983 3.532 -5.655 114 H LEU 15 HN LEU 15 -2.664 3.004 -0.731 115 HA LEU 15 HA LEU 15 -0.165 4.095 0.209 116 HB2 LEU 15 HB2 LEU 15 -2.575 4.354 1.093 117 HB3 LEU 15 HB3 LEU 15 -2.344 2.781 1.856 118 HG LEU 15 HG LEU 15 -0.165 3.821 2.825 119 HD11 LEU 15 HD11 LEU 15 -1.754 6.331 2.207 120 HD12 LEU 15 HD12 LEU 15 -0.280 5.847 1.369 121 HD13 LEU 15 HD13 LEU 15 -0.227 6.249 3.085 122 HD21 LEU 15 HD21 LEU 15 -1.376 4.574 4.768 123 HD22 LEU 15 HD22 LEU 15 -2.310 3.257 4.059 124 HD23 LEU 15 HD23 LEU 15 -2.811 4.928 3.807 125 H LEU 16 HN LEU 16 -1.661 0.859 0.392 126 HA LEU 16 HA LEU 16 0.353 -0.382 2.023 127 HB2 LEU 16 HB2 LEU 16 -2.042 -1.130 1.358 128 HB3 LEU 16 HB3 LEU 16 -1.298 -1.725 -0.127 129 HG LEU 16 HG LEU 16 0.073 -2.508 2.384 130 HD11 LEU 16 HD11 LEU 16 -1.544 -4.250 2.931 131 HD12 LEU 16 HD12 LEU 16 -2.587 -3.742 1.603 132 HD13 LEU 16 HD13 LEU 16 -2.348 -2.681 2.990 133 HD21 LEU 16 HD21 LEU 16 -0.878 -4.339 0.199 134 HD22 LEU 16 HD22 LEU 16 0.609 -4.412 1.143 135 HD23 LEU 16 HD23 LEU 16 0.436 -3.213 -0.137 136 H LEU 17 HN LEU 17 -0.023 0.027 -1.456 137 HA LEU 17 HA LEU 17 2.247 -1.532 -2.285 138 HB2 LEU 17 HB2 LEU 17 0.162 -0.343 -3.509 139 HB3 LEU 17 HB3 LEU 17 1.383 0.897 -3.792 140 HG LEU 17 HG LEU 17 2.846 -1.224 -4.494 141 HD11 LEU 17 HD11 LEU 17 -0.017 -2.055 -5.066 142 HD12 LEU 17 HD12 LEU 17 1.088 -2.858 -3.950 143 HD13 LEU 17 HD13 LEU 17 1.421 -2.868 -5.682 144 HD21 LEU 17 HD21 LEU 17 2.719 0.202 -6.260 145 HD22 LEU 17 HD22 LEU 17 1.037 0.612 -5.921 146 HD23 LEU 17 HD23 LEU 17 1.423 -0.851 -6.826 147 H LEU 18 HN LEU 18 1.815 1.752 -1.172 148 HA LEU 18 HA LEU 18 4.447 2.743 -1.857 149 HB2 LEU 18 HB2 LEU 18 2.031 3.774 -1.027 150 HB3 LEU 18 HB3 LEU 18 3.004 3.931 0.433 151 HG LEU 18 HG LEU 18 3.190 5.957 -0.941 152 HD11 LEU 18 HD11 LEU 18 5.554 6.153 -0.901 153 HD12 LEU 18 HD12 LEU 18 5.784 4.437 -1.236 154 HD13 LEU 18 HD13 LEU 18 5.185 4.956 0.339 155 HD21 LEU 18 HD21 LEU 18 3.232 5.821 -3.187 156 HD22 LEU 18 HD22 LEU 18 3.235 4.062 -3.072 157 HD23 LEU 18 HD23 LEU 18 4.761 4.945 -3.121 158 H ALA 19 HN ALA 19 3.043 1.094 0.913 159 HA ALA 19 HA ALA 19 5.080 1.525 2.860 160 HB1 ALA 19 HB1 ALA 19 4.011 -0.265 3.993 161 HB2 ALA 19 HB2 ALA 19 3.566 -1.063 2.485 162 HB3 ALA 19 HB3 ALA 19 2.734 0.411 2.981 163 H ALA 20 HN ALA 20 4.813 -0.910 0.263 164 HA ALA 20 HA ALA 20 7.132 -2.459 0.954 165 HB1 ALA 20 HB1 ALA 20 6.923 -3.189 -1.431 166 HB2 ALA 20 HB2 ALA 20 5.766 -1.886 -1.701 167 HB3 ALA 20 HB3 ALA 20 5.372 -3.200 -0.592 168 H GLY 21 HN GLY 21 6.681 0.402 -1.135 169 HA2 GLY 21 HA2 GLY 21 9.366 0.547 -2.125 170 HA3 GLY 21 HA3 GLY 21 8.237 1.901 -2.051 171 H VAL 22 HN VAL 22 7.817 1.819 0.811 172 HA VAL 22 HA VAL 22 9.967 3.470 1.738 173 HB VAL 22 HB VAL 22 7.881 1.844 3.245 174 HG11 VAL 22 HG11 VAL 22 8.212 3.484 5.049 175 HG12 VAL 22 HG12 VAL 22 9.469 4.284 4.105 176 HG13 VAL 22 HG13 VAL 22 9.721 2.642 4.699 177 HG21 VAL 22 HG21 VAL 22 6.363 3.383 2.587 178 HG22 VAL 22 HG22 VAL 22 7.561 3.970 1.434 179 HG23 VAL 22 HG23 VAL 22 7.435 4.711 3.029 180 H GLY 23 HN GLY 23 9.272 -0.008 2.185 181 HA2 GLY 23 HA2 GLY 23 11.427 -0.567 3.988 182 HA3 GLY 23 HA3 GLY 23 10.634 -1.758 2.955 183 H ILE 24 HN ILE 24 11.197 -0.729 0.421 184 HA ILE 24 HA ILE 24 13.932 -1.599 0.000 185 HB ILE 24 HB ILE 24 11.932 -0.117 -1.755 186 HG12 ILE 24 HG12 ILE 24 12.605 -3.010 -2.086 187 HG13 ILE 24 HG13 ILE 24 11.578 -2.570 -0.722 188 HG21 ILE 24 HG21 ILE 24 14.527 -1.538 -2.416 189 HG22 ILE 24 HG22 ILE 24 14.135 0.158 -2.706 190 HG23 ILE 24 HG23 ILE 24 13.317 -1.106 -3.625 191 HD11 ILE 24 HD11 ILE 24 11.072 -1.940 -3.643 192 HD12 ILE 24 HD12 ILE 24 10.095 -1.322 -2.311 193 HD13 ILE 24 HD13 ILE 24 10.156 -3.055 -2.629 194 H TYR 25 HN TYR 25 12.372 1.579 0.357 195 HA TYR 25 HA TYR 25 14.522 3.227 -0.564 196 HB2 TYR 25 HB2 TYR 25 12.171 3.933 -0.072 197 HB3 TYR 25 HB3 TYR 25 12.503 3.734 1.650 198 HD1 TYR 25 HD2 TYR 25 13.380 5.671 -1.390 199 HD2 TYR 25 HD1 TYR 25 13.832 5.327 2.868 200 HE1 TYR 25 HE2 TYR 25 14.379 7.939 -1.312 201 HE2 TYR 25 HE1 TYR 25 14.832 7.594 2.945 202 HH TYR 25 HH TYR 25 14.568 9.777 1.209 203 H LEU 26 HN LEU 26 14.125 1.345 2.352 204 HA LEU 26 HA LEU 26 16.182 2.774 3.889 205 HB2 LEU 26 HB2 LEU 26 14.224 0.595 4.215 206 HB3 LEU 26 HB3 LEU 26 15.740 0.302 5.063 207 HG LEU 26 HG LEU 26 14.166 1.492 6.525 208 HD11 LEU 26 HD11 LEU 26 16.195 3.558 5.704 209 HD12 LEU 26 HD12 LEU 26 16.724 2.021 6.389 210 HD13 LEU 26 HD13 LEU 26 15.679 3.090 7.325 211 HD21 LEU 26 HD21 LEU 26 14.196 3.572 4.315 212 HD22 LEU 26 HD22 LEU 26 13.515 3.839 5.920 213 HD23 LEU 26 HD23 LEU 26 12.809 2.624 4.853 214 H LEU 27 HN LEU 27 15.993 0.077 1.642 215 HA LEU 27 HA LEU 27 18.926 -0.428 2.036 216 HB2 LEU 27 HB2 LEU 27 17.188 -2.141 2.879 217 HB3 LEU 27 HB3 LEU 27 16.860 -2.461 1.175 218 HG LEU 27 HG LEU 27 19.658 -2.487 1.372 219 HD11 LEU 27 HD11 LEU 27 18.445 -4.113 3.627 220 HD12 LEU 27 HD12 LEU 27 19.342 -2.611 3.858 221 HD13 LEU 27 HD13 LEU 27 20.150 -4.027 3.185 222 HD21 LEU 27 HD21 LEU 27 17.681 -4.792 1.395 223 HD22 LEU 27 HD22 LEU 27 19.377 -4.905 0.923 224 HD23 LEU 27 HD23 LEU 27 18.257 -3.943 -0.041 225 HA PRO 28 HA PRO 28 17.878 0.150 -2.503 226 HB2 PRO 28 HB2 PRO 28 18.099 2.847 -2.900 227 HB3 PRO 28 HB3 PRO 28 16.577 2.056 -2.452 228 HG2 PRO 28 HG2 PRO 28 18.291 3.795 -0.860 229 HG3 PRO 28 HG3 PRO 28 16.616 3.311 -0.591 230 HD2 PRO 28 HD2 PRO 28 19.006 2.276 0.655 231 HD3 PRO 28 HD3 PRO 28 17.316 1.893 1.005 232 H ASN 29 HN ASN 29 20.338 1.544 -0.437 233 HA ASN 29 HA ASN 29 22.272 1.775 -2.698 234 HB2 ASN 29 HB2 ASN 29 22.685 2.487 0.215 235 HB3 ASN 29 HB3 ASN 29 23.517 3.146 -1.193 236 HD21 ASN 29 HD21 ASN 29 21.726 4.125 -2.876 237 HD22 ASN 29 HD22 ASN 29 20.595 5.153 -2.141 238 H ARG 30 HN ARG 30 21.799 0.098 0.415 239 HA ARG 30 HA ARG 30 23.556 -2.097 -0.483 240 HB2 ARG 30 HB2 ARG 30 24.482 0.093 1.103 241 HB3 ARG 30 HB3 ARG 30 24.415 -1.323 2.150 242 HG2 ARG 30 HG2 ARG 30 26.370 -1.977 1.239 243 HG3 ARG 30 HG3 ARG 30 25.489 -2.274 -0.259 244 HD2 ARG 30 HD2 ARG 30 26.035 -0.126 -1.136 245 HD3 ARG 30 HD3 ARG 30 26.550 0.475 0.453 246 HE ARG 30 HE ARG 30 28.485 -1.062 0.325 247 HH11 ARG 30 HH11 ARG 30 27.580 -3.072 -1.613 248 HH12 ARG 30 HH12 ARG 30 28.359 -2.591 -3.083 249 HH21 ARG 30 HH21 ARG 30 29.067 0.623 -1.961 250 HH22 ARG 30 HH22 ARG 30 29.202 -0.489 -3.281 Start of MODEL 12 1 HA HIS 1 HA HIS 1 -4.163 10.844 0.610 2 HB2 HIS 1 HB2 HIS 1 -4.166 12.981 2.756 3 HB3 HIS 1 HB3 HIS 1 -3.936 11.277 3.146 4 HD1 HIS 1 HD1 HIS 1 -2.063 14.215 2.245 5 HD2 HIS 1 HD2 HIS 1 -1.661 10.137 1.471 6 HE1 HIS 1 HE1 HIS 1 0.335 13.856 1.518 7 H SER 2 HN SER 2 -5.706 9.301 1.064 8 HA SER 2 HA SER 2 -8.379 10.247 2.043 9 HB2 SER 2 HB2 SER 2 -8.124 9.253 -0.268 10 HB3 SER 2 HB3 SER 2 -7.640 7.741 0.498 11 HG SER 2 HG SER 2 -9.641 7.512 1.325 12 H VAL 3 HN VAL 3 -6.461 9.809 4.034 13 HA VAL 3 HA VAL 3 -7.140 7.096 5.128 14 HB VAL 3 HB VAL 3 -4.894 8.972 5.938 15 HG11 VAL 3 HG11 VAL 3 -5.885 6.514 6.975 16 HG12 VAL 3 HG12 VAL 3 -4.434 7.386 7.466 17 HG13 VAL 3 HG13 VAL 3 -4.340 6.163 6.199 18 HG21 VAL 3 HG21 VAL 3 -4.979 6.810 3.814 19 HG22 VAL 3 HG22 VAL 3 -3.472 7.401 4.517 20 HG23 VAL 3 HG23 VAL 3 -4.513 8.499 3.611 21 H SER 4 HN SER 4 -8.958 9.399 5.314 22 HA SER 4 HA SER 4 -8.725 10.321 8.122 23 HB2 SER 4 HB2 SER 4 -9.290 11.857 6.237 24 HB3 SER 4 HB3 SER 4 -10.754 10.921 5.951 25 HG SER 4 HG SER 4 -11.059 12.795 7.299 26 H HIS 5 HN HIS 5 -10.747 8.275 6.099 27 HA HIS 5 HA HIS 5 -12.553 7.650 8.373 28 HB2 HIS 5 HB2 HIS 5 -13.124 8.174 5.850 29 HB3 HIS 5 HB3 HIS 5 -12.717 6.477 5.608 30 HD1 HIS 5 HD1 HIS 5 -15.124 5.667 5.195 31 HD2 HIS 5 HD2 HIS 5 -14.674 7.665 8.829 32 HE1 HIS 5 HE1 HIS 5 -17.265 5.289 6.493 33 H ALA 6 HN ALA 6 -9.582 6.596 7.728 34 HA ALA 6 HA ALA 6 -8.400 4.583 8.043 35 HB1 ALA 6 HB1 ALA 6 -9.771 4.979 10.183 36 HB2 ALA 6 HB2 ALA 6 -9.212 3.330 9.910 37 HB3 ALA 6 HB3 ALA 6 -10.886 3.760 9.564 38 H ARG 7 HN ARG 7 -8.955 4.261 5.623 39 HA ARG 7 HA ARG 7 -11.024 2.242 5.043 40 HB2 ARG 7 HB2 ARG 7 -8.994 3.818 3.450 41 HB3 ARG 7 HB3 ARG 7 -10.001 2.579 2.700 42 HG2 ARG 7 HG2 ARG 7 -11.609 4.330 4.365 43 HG3 ARG 7 HG3 ARG 7 -10.704 5.264 3.173 44 HD2 ARG 7 HD2 ARG 7 -12.794 4.621 2.133 45 HD3 ARG 7 HD3 ARG 7 -11.534 3.597 1.417 46 HE ARG 7 HE ARG 7 -12.441 2.233 3.711 47 HH11 ARG 7 HH21 ARG 7 -15.106 3.324 2.960 48 HH12 ARG 7 HH22 ARG 7 -15.700 2.131 1.854 49 HH21 ARG 7 HH11 ARG 7 -12.575 0.701 1.329 50 HH22 ARG 7 HH12 ARG 7 -14.258 0.635 0.925 51 HA PRO 8 HA PRO 8 -7.957 -0.983 5.671 52 HB2 PRO 8 HB2 PRO 8 -9.699 -3.075 5.405 53 HB3 PRO 8 HB3 PRO 8 -9.559 -2.120 6.893 54 HG2 PRO 8 HG2 PRO 8 -11.617 -2.002 4.757 55 HG3 PRO 8 HG3 PRO 8 -11.786 -1.780 6.504 56 HD2 PRO 8 HD2 PRO 8 -11.718 0.270 4.669 57 HD3 PRO 8 HD3 PRO 8 -11.309 0.443 6.389 58 H ARG 9 HN ARG 9 -10.232 -0.682 2.984 59 HA ARG 9 HA ARG 9 -8.206 -1.906 1.167 60 HB2 ARG 9 HB2 ARG 9 -10.939 -2.840 1.870 61 HB3 ARG 9 HB3 ARG 9 -10.563 -2.852 0.148 62 HG2 ARG 9 HG2 ARG 9 -8.685 -4.038 2.197 63 HG3 ARG 9 HG3 ARG 9 -9.985 -4.980 1.466 64 HD2 ARG 9 HD2 ARG 9 -9.074 -4.446 -0.795 65 HD3 ARG 9 HD3 ARG 9 -7.725 -3.590 -0.020 66 HE ARG 9 HE ARG 9 -7.448 -5.897 1.245 67 HH11 ARG 9 HH21 ARG 9 -5.963 -5.577 -1.352 68 HH12 ARG 9 HH22 ARG 9 -6.440 -7.000 -2.217 69 HH21 ARG 9 HH11 ARG 9 -9.155 -7.663 -0.150 70 HH22 ARG 9 HH12 ARG 9 -8.256 -8.184 -1.534 71 H TRP 10 HN TRP 10 -9.658 -1.708 -1.196 72 HA TRP 10 HA TRP 10 -10.335 -0.199 -2.868 73 HB2 TRP 10 HB2 TRP 10 -11.531 0.946 -0.345 74 HB3 TRP 10 HB3 TRP 10 -11.709 1.798 -1.876 75 HD1 TRP 10 HD1 TRP 10 -13.186 0.676 -3.760 76 HE1 TRP 10 HE1 TRP 10 -14.937 -1.215 -3.694 77 HE3 TRP 10 HE3 TRP 10 -12.156 -1.325 0.824 78 HZ2 TRP 10 HZ2 TRP 10 -15.789 -3.300 -1.930 79 HZ3 TRP 10 HZ3 TRP 10 -13.449 -3.260 1.672 80 HH2 TRP 10 HH2 TRP 10 -15.264 -4.250 0.301 81 H PHE 11 HN PHE 11 -9.836 2.307 -0.381 82 HA PHE 11 HA PHE 11 -7.771 3.568 -2.103 83 HB2 PHE 11 HB2 PHE 11 -9.865 4.429 -0.436 84 HB3 PHE 11 HB3 PHE 11 -8.395 4.865 0.434 85 HD1 PHE 11 HD2 PHE 11 -6.477 5.905 -1.123 86 HD2 PHE 11 HD1 PHE 11 -10.679 5.930 -2.017 87 HE1 PHE 11 HE2 PHE 11 -6.139 7.826 -2.655 88 HE2 PHE 11 HE1 PHE 11 -10.341 7.849 -3.550 89 HZ PHE 11 HZ PHE 11 -8.072 8.797 -3.870 90 H TRP 12 HN TRP 12 -7.480 1.072 -0.169 91 HA TRP 12 HA TRP 12 -5.244 2.093 1.517 92 HB2 TRP 12 HB2 TRP 12 -7.070 0.929 2.638 93 HB3 TRP 12 HB3 TRP 12 -6.923 -0.431 1.529 94 HD1 TRP 12 HD1 TRP 12 -5.140 -2.221 2.021 95 HE1 TRP 12 HE1 TRP 12 -3.450 -2.591 3.930 96 HE3 TRP 12 HE3 TRP 12 -5.484 2.288 4.387 97 HZ2 TRP 12 HZ2 TRP 12 -2.381 -1.161 6.168 98 HZ3 TRP 12 HZ3 TRP 12 -4.123 2.758 6.403 99 HH2 TRP 12 HH2 TRP 12 -2.573 1.042 7.296 100 H PHE 13 HN PHE 13 -5.927 0.092 -1.244 101 HA PHE 13 HA PHE 13 -3.638 -1.621 -1.228 102 HB2 PHE 13 HB2 PHE 13 -5.613 -1.891 -2.683 103 HB3 PHE 13 HB3 PHE 13 -5.209 -0.389 -3.515 104 HD1 PHE 13 HD1 PHE 13 -3.795 -3.751 -2.668 105 HD2 PHE 13 HD2 PHE 13 -3.790 -0.419 -5.379 106 HE1 PHE 13 HE1 PHE 13 -2.294 -5.000 -4.199 107 HE2 PHE 13 HE2 PHE 13 -2.289 -1.668 -6.911 108 HZ PHE 13 HZ PHE 13 -1.541 -3.958 -6.320 109 H SER 14 HN SER 14 -4.130 1.589 -2.656 110 HA SER 14 HA SER 14 -1.508 1.891 -3.773 111 HB2 SER 14 HB2 SER 14 -2.147 4.355 -3.634 112 HB3 SER 14 HB3 SER 14 -3.318 3.328 -4.455 113 HG SER 14 HG SER 14 -4.453 4.537 -2.998 114 H LEU 15 HN LEU 15 -2.838 2.451 -0.577 115 HA LEU 15 HA LEU 15 -0.623 3.878 0.588 116 HB2 LEU 15 HB2 LEU 15 -3.154 3.162 1.311 117 HB3 LEU 15 HB3 LEU 15 -2.222 1.982 2.235 118 HG LEU 15 HG LEU 15 -0.877 4.447 2.545 119 HD11 LEU 15 HD11 LEU 15 -3.103 5.391 1.704 120 HD12 LEU 15 HD12 LEU 15 -2.547 5.990 3.266 121 HD13 LEU 15 HD13 LEU 15 -3.814 4.766 3.192 122 HD21 LEU 15 HD21 LEU 15 -0.790 3.362 4.527 123 HD22 LEU 15 HD22 LEU 15 -2.212 2.397 4.131 124 HD23 LEU 15 HD23 LEU 15 -2.404 3.995 4.850 125 H LEU 16 HN LEU 16 -1.463 0.407 0.418 126 HA LEU 16 HA LEU 16 0.781 -0.585 1.899 127 HB2 LEU 16 HB2 LEU 16 -1.473 -1.657 1.061 128 HB3 LEU 16 HB3 LEU 16 -0.541 -2.048 -0.382 129 HG LEU 16 HG LEU 16 0.581 -2.710 2.330 130 HD11 LEU 16 HD11 LEU 16 -1.803 -3.572 2.155 131 HD12 LEU 16 HD12 LEU 16 -0.571 -4.814 2.380 132 HD13 LEU 16 HD13 LEU 16 -1.268 -4.543 0.782 133 HD21 LEU 16 HD21 LEU 16 2.158 -3.196 0.691 134 HD22 LEU 16 HD22 LEU 16 0.934 -3.574 -0.522 135 HD23 LEU 16 HD23 LEU 16 1.294 -4.732 0.759 136 H LEU 17 HN LEU 17 0.317 0.175 -1.508 137 HA LEU 17 HA LEU 17 2.791 -0.894 -2.505 138 HB2 LEU 17 HB2 LEU 17 0.548 0.132 -3.591 139 HB3 LEU 17 HB3 LEU 17 1.576 1.563 -3.686 140 HG LEU 17 HG LEU 17 3.343 -0.009 -4.729 141 HD11 LEU 17 HD11 LEU 17 2.246 -2.126 -4.137 142 HD12 LEU 17 HD12 LEU 17 2.362 -1.976 -5.889 143 HD13 LEU 17 HD13 LEU 17 0.827 -1.671 -5.080 144 HD21 LEU 17 HD21 LEU 17 0.774 0.515 -6.260 145 HD22 LEU 17 HD22 LEU 17 2.380 0.300 -6.957 146 HD23 LEU 17 HD23 LEU 17 2.031 1.718 -5.968 147 H LEU 18 HN LEU 18 1.858 2.198 -1.125 148 HA LEU 18 HA LEU 18 4.345 3.590 -1.573 149 HB2 LEU 18 HB2 LEU 18 1.880 4.330 -0.893 150 HB3 LEU 18 HB3 LEU 18 2.522 4.161 0.740 151 HG LEU 18 HG LEU 18 4.096 5.700 -1.306 152 HD11 LEU 18 HD11 LEU 18 2.874 7.701 -0.916 153 HD12 LEU 18 HD12 LEU 18 1.969 6.982 0.417 154 HD13 LEU 18 HD13 LEU 18 1.644 6.479 -1.242 155 HD21 LEU 18 HD21 LEU 18 5.291 5.482 0.694 156 HD22 LEU 18 HD22 LEU 18 3.835 5.555 1.688 157 HD23 LEU 18 HD23 LEU 18 4.467 7.023 0.941 158 H ALA 19 HN ALA 19 3.068 1.596 1.044 159 HA ALA 19 HA ALA 19 5.165 2.032 2.964 160 HB1 ALA 19 HB1 ALA 19 4.140 0.195 4.087 161 HB2 ALA 19 HB2 ALA 19 3.582 -0.518 2.573 162 HB3 ALA 19 HB3 ALA 19 2.825 0.952 3.188 163 H ALA 20 HN ALA 20 4.759 -0.319 0.314 164 HA ALA 20 HA ALA 20 7.072 -1.931 0.861 165 HB1 ALA 20 HB1 ALA 20 5.334 -2.685 -0.628 166 HB2 ALA 20 HB2 ALA 20 6.774 -2.461 -1.621 167 HB3 ALA 20 HB3 ALA 20 5.494 -1.248 -1.638 168 H GLY 21 HN GLY 21 6.606 1.018 -1.101 169 HA2 GLY 21 HA2 GLY 21 9.263 1.123 -2.182 170 HA3 GLY 21 HA3 GLY 21 8.163 2.496 -2.051 171 H VAL 22 HN VAL 22 7.824 2.389 0.814 172 HA VAL 22 HA VAL 22 10.049 3.972 1.694 173 HB VAL 22 HB VAL 22 7.895 2.436 3.195 174 HG11 VAL 22 HG11 VAL 22 9.699 2.988 4.732 175 HG12 VAL 22 HG12 VAL 22 8.355 4.091 5.021 176 HG13 VAL 22 HG13 VAL 22 9.767 4.639 4.117 177 HG21 VAL 22 HG21 VAL 22 7.659 4.578 1.449 178 HG22 VAL 22 HG22 VAL 22 7.739 5.363 3.026 179 HG23 VAL 22 HG23 VAL 22 6.497 4.154 2.705 180 H GLY 23 HN GLY 23 9.231 0.526 2.203 181 HA2 GLY 23 HA2 GLY 23 11.419 -0.086 3.950 182 HA3 GLY 23 HA3 GLY 23 10.541 -1.264 2.976 183 H ILE 24 HN ILE 24 11.086 -0.214 0.398 184 HA ILE 24 HA ILE 24 13.709 -1.316 -0.116 185 HB ILE 24 HB ILE 24 11.776 0.377 -1.747 186 HG12 ILE 24 HG12 ILE 24 10.914 -1.831 -1.058 187 HG13 ILE 24 HG13 ILE 24 11.212 -1.795 -2.794 188 HG21 ILE 24 HG21 ILE 24 13.067 -0.566 -3.717 189 HG22 ILE 24 HG22 ILE 24 14.304 -1.077 -2.569 190 HG23 ILE 24 HG23 ILE 24 13.939 0.637 -2.767 191 HD11 ILE 24 HD11 ILE 24 12.866 -3.120 -0.642 192 HD12 ILE 24 HD12 ILE 24 13.532 -2.776 -2.237 193 HD13 ILE 24 HD13 ILE 24 12.146 -3.853 -2.075 194 H TYR 25 HN TYR 25 12.490 2.015 0.302 195 HA TYR 25 HA TYR 25 14.861 3.388 -0.566 196 HB2 TYR 25 HB2 TYR 25 12.458 4.229 -0.015 197 HB3 TYR 25 HB3 TYR 25 13.035 4.319 1.651 198 HD1 TYR 25 HD2 TYR 25 13.403 5.672 -1.757 199 HD2 TYR 25 HD1 TYR 25 14.783 5.897 2.304 200 HE1 TYR 25 HE2 TYR 25 14.522 7.827 -2.257 201 HE2 TYR 25 HE1 TYR 25 15.903 8.052 1.804 202 HH TYR 25 HH TYR 25 16.817 9.088 -0.786 203 H LEU 26 HN LEU 26 14.029 1.712 2.409 204 HA LEU 26 HA LEU 26 16.240 2.827 3.982 205 HB2 LEU 26 HB2 LEU 26 13.975 0.958 4.271 206 HB3 LEU 26 HB3 LEU 26 15.404 0.476 5.183 207 HG LEU 26 HG LEU 26 15.428 3.032 5.882 208 HD11 LEU 26 HD11 LEU 26 13.174 3.963 6.064 209 HD12 LEU 26 HD12 LEU 26 12.491 2.525 5.306 210 HD13 LEU 26 HD13 LEU 26 13.528 3.607 4.374 211 HD21 LEU 26 HD21 LEU 26 15.215 1.272 7.513 212 HD22 LEU 26 HD22 LEU 26 13.581 0.888 6.971 213 HD23 LEU 26 HD23 LEU 26 13.897 2.406 7.812 214 H LEU 27 HN LEU 27 15.713 0.159 1.767 215 HA LEU 27 HA LEU 27 18.548 -0.731 2.180 216 HB2 LEU 27 HB2 LEU 27 16.517 -2.121 3.127 217 HB3 LEU 27 HB3 LEU 27 16.313 -2.607 1.444 218 HG LEU 27 HG LEU 27 18.879 -3.115 1.543 219 HD11 LEU 27 HD11 LEU 27 19.208 -2.049 3.762 220 HD12 LEU 27 HD12 LEU 27 19.668 -3.751 3.780 221 HD13 LEU 27 HD13 LEU 27 18.131 -3.245 4.482 222 HD21 LEU 27 HD21 LEU 27 16.845 -4.728 1.479 223 HD22 LEU 27 HD22 LEU 27 17.142 -4.942 3.203 224 HD23 LEU 27 HD23 LEU 27 18.390 -5.374 2.034 225 HA PRO 28 HA PRO 28 17.453 -0.241 -2.339 226 HB2 PRO 28 HB2 PRO 28 18.228 2.333 -2.865 227 HB3 PRO 28 HB3 PRO 28 16.594 1.893 -2.336 228 HG2 PRO 28 HG2 PRO 28 18.670 3.315 -0.882 229 HG3 PRO 28 HG3 PRO 28 16.953 3.148 -0.516 230 HD2 PRO 28 HD2 PRO 28 19.194 1.707 0.628 231 HD3 PRO 28 HD3 PRO 28 17.497 1.702 1.122 232 H ASN 29 HN ASN 29 20.281 0.693 -0.473 233 HA ASN 29 HA ASN 29 22.181 0.818 -2.652 234 HB2 ASN 29 HB2 ASN 29 22.097 1.259 0.122 235 HB3 ASN 29 HB3 ASN 29 23.256 -0.054 -0.086 236 HD21 ASN 29 HD21 ASN 29 24.907 0.393 -1.989 237 HD22 ASN 29 HD22 ASN 29 25.495 1.982 -2.096 238 H ARG 30 HN ARG 30 20.840 -1.816 -0.724 239 HA ARG 30 HA ARG 30 21.044 -4.151 -0.912 240 HB2 ARG 30 HB2 ARG 30 22.207 -3.382 -3.613 241 HB3 ARG 30 HB3 ARG 30 21.539 -4.953 -3.184 242 HG2 ARG 30 HG2 ARG 30 19.809 -2.545 -2.782 243 HG3 ARG 30 HG3 ARG 30 20.059 -3.118 -4.430 244 HD2 ARG 30 HD2 ARG 30 18.179 -4.367 -3.780 245 HD3 ARG 30 HD3 ARG 30 19.495 -5.482 -3.363 246 HE ARG 30 HE ARG 30 18.626 -3.546 -1.280 247 HH11 ARG 30 HH11 ARG 30 20.354 -6.051 -0.883 248 HH12 ARG 30 HH12 ARG 30 19.216 -7.116 -0.129 249 HH21 ARG 30 HH21 ARG 30 16.446 -5.216 -1.025 250 HH22 ARG 30 HH22 ARG 30 16.995 -6.643 -0.210 Start of MODEL 13 1 HA HIS 1 HA HIS 1 -11.276 -8.174 14.380 2 HB2 HIS 1 HB2 HIS 1 -10.328 -8.625 11.667 3 HB3 HIS 1 HB3 HIS 1 -11.204 -7.099 11.775 4 HD1 HIS 1 HD1 HIS 1 -10.350 -5.400 13.681 5 HD2 HIS 1 HD2 HIS 1 -7.793 -8.582 12.832 6 HE1 HIS 1 HE1 HIS 1 -8.099 -4.792 14.667 7 H SER 2 HN SER 2 -12.777 -6.351 14.231 8 HA SER 2 HA SER 2 -15.347 -6.973 12.805 9 HB2 SER 2 HB2 SER 2 -14.853 -5.928 15.611 10 HB3 SER 2 HB3 SER 2 -16.442 -5.991 14.854 11 HG SER 2 HG SER 2 -16.333 -7.901 15.844 12 H VAL 3 HN VAL 3 -13.188 -5.238 11.872 13 HA VAL 3 HA VAL 3 -14.455 -2.533 12.160 14 HB VAL 3 HB VAL 3 -12.149 -1.736 11.482 15 HG11 VAL 3 HG11 VAL 3 -12.099 -3.490 13.945 16 HG12 VAL 3 HG12 VAL 3 -12.992 -1.971 13.873 17 HG13 VAL 3 HG13 VAL 3 -11.239 -1.973 13.681 18 HG21 VAL 3 HG21 VAL 3 -11.530 -3.982 10.436 19 HG22 VAL 3 HG22 VAL 3 -11.307 -4.586 12.078 20 HG23 VAL 3 HG23 VAL 3 -10.301 -3.267 11.480 21 H SER 4 HN SER 4 -15.705 -4.138 10.364 22 HA SER 4 HA SER 4 -14.558 -3.970 7.685 23 HB2 SER 4 HB2 SER 4 -16.639 -5.334 9.040 24 HB3 SER 4 HB3 SER 4 -17.407 -4.414 7.749 25 HG SER 4 HG SER 4 -16.754 -6.102 6.634 26 H HIS 5 HN HIS 5 -16.725 -2.024 9.622 27 HA HIS 5 HA HIS 5 -17.453 -0.309 7.303 28 HB2 HIS 5 HB2 HIS 5 -18.321 -0.567 10.188 29 HB3 HIS 5 HB3 HIS 5 -18.845 0.782 9.185 30 HD1 HIS 5 HD1 HIS 5 -20.441 -1.937 10.316 31 HD2 HIS 5 HD2 HIS 5 -19.474 -0.898 6.396 32 HE1 HIS 5 HE1 HIS 5 -22.053 -3.197 8.822 33 H ALA 6 HN ALA 6 -14.687 -0.236 8.054 34 HA ALA 6 HA ALA 6 -14.465 2.612 8.925 35 HB1 ALA 6 HB1 ALA 6 -14.146 1.183 10.896 36 HB2 ALA 6 HB2 ALA 6 -12.606 1.911 10.439 37 HB3 ALA 6 HB3 ALA 6 -12.941 0.228 10.032 38 H ARG 7 HN ARG 7 -14.178 1.210 6.290 39 HA ARG 7 HA ARG 7 -12.671 1.042 4.476 40 HB2 ARG 7 HB2 ARG 7 -12.005 3.540 6.023 41 HB3 ARG 7 HB3 ARG 7 -11.103 3.142 4.561 42 HG2 ARG 7 HG2 ARG 7 -13.265 2.958 3.323 43 HG3 ARG 7 HG3 ARG 7 -14.109 3.484 4.780 44 HD2 ARG 7 HD2 ARG 7 -12.628 5.567 4.745 45 HD3 ARG 7 HD3 ARG 7 -12.134 5.069 3.115 46 HE ARG 7 HE ARG 7 -14.625 5.054 2.557 47 HH11 ARG 7 HH11 ARG 7 -15.460 5.633 5.431 48 HH12 ARG 7 HH12 ARG 7 -15.819 7.325 5.344 49 HH21 ARG 7 HH21 ARG 7 -14.166 7.786 2.320 50 HH22 ARG 7 HH22 ARG 7 -15.083 8.549 3.575 51 HA PRO 8 HA PRO 8 -9.272 -0.713 7.230 52 HB2 PRO 8 HB2 PRO 8 -9.773 -3.365 6.767 53 HB3 PRO 8 HB3 PRO 8 -10.520 -2.457 8.096 54 HG2 PRO 8 HG2 PRO 8 -11.655 -3.221 5.453 55 HG3 PRO 8 HG3 PRO 8 -12.430 -3.170 7.044 56 HD2 PRO 8 HD2 PRO 8 -12.756 -1.240 5.140 57 HD3 PRO 8 HD3 PRO 8 -12.905 -0.940 6.886 58 H ARG 9 HN ARG 9 -10.505 -1.755 4.054 59 HA ARG 9 HA ARG 9 -7.731 -1.622 2.978 60 HB2 ARG 9 HB2 ARG 9 -8.097 -3.844 1.896 61 HB3 ARG 9 HB3 ARG 9 -8.151 -3.952 3.653 62 HG2 ARG 9 HG2 ARG 9 -10.497 -4.189 3.693 63 HG3 ARG 9 HG3 ARG 9 -10.682 -3.541 2.064 64 HD2 ARG 9 HD2 ARG 9 -11.000 -5.973 1.996 65 HD3 ARG 9 HD3 ARG 9 -9.472 -5.578 1.188 66 HE ARG 9 HE ARG 9 -8.294 -6.549 3.016 67 HH11 ARG 9 HH21 ARG 9 -10.538 -8.491 3.242 68 HH12 ARG 9 HH22 ARG 9 -10.989 -8.355 4.907 69 HH21 ARG 9 HH11 ARG 9 -9.342 -5.328 5.375 70 HH22 ARG 9 HH12 ARG 9 -10.307 -6.557 6.121 71 H TRP 10 HN TRP 10 -8.702 -2.811 0.420 72 HA TRP 10 HA TRP 10 -9.780 -2.179 -1.575 73 HB2 TRP 10 HB2 TRP 10 -11.717 -2.127 0.187 74 HB3 TRP 10 HB3 TRP 10 -11.558 -0.376 0.065 75 HD1 TRP 10 HD1 TRP 10 -11.936 0.712 -2.397 76 HE1 TRP 10 HE1 TRP 10 -13.413 -0.082 -4.356 77 HE3 TRP 10 HE3 TRP 10 -12.690 -4.149 -1.021 78 HZ2 TRP 10 HZ2 TRP 10 -14.741 -2.463 -5.223 79 HZ3 TRP 10 HZ3 TRP 10 -14.064 -5.655 -2.430 80 HH2 TRP 10 HH2 TRP 10 -15.089 -4.819 -4.527 81 H PHE 11 HN PHE 11 -10.015 0.788 0.444 82 HA PHE 11 HA PHE 11 -8.906 2.408 -1.749 83 HB2 PHE 11 HB2 PHE 11 -10.224 2.788 0.894 84 HB3 PHE 11 HB3 PHE 11 -9.159 4.087 0.358 85 HD1 PHE 11 HD1 PHE 11 -12.246 2.212 -0.364 86 HD2 PHE 11 HD2 PHE 11 -9.649 5.380 -1.659 87 HE1 PHE 11 HE1 PHE 11 -14.001 3.015 -1.919 88 HE2 PHE 11 HE2 PHE 11 -11.406 6.182 -3.215 89 HZ PHE 11 HZ PHE 11 -13.581 4.999 -3.346 90 H TRP 12 HN TRP 12 -7.690 0.802 1.107 91 HA TRP 12 HA TRP 12 -5.309 2.518 1.339 92 HB2 TRP 12 HB2 TRP 12 -6.399 0.060 2.696 93 HB3 TRP 12 HB3 TRP 12 -4.748 0.590 3.010 94 HD1 TRP 12 HD1 TRP 12 -7.567 0.726 4.879 95 HE1 TRP 12 HE1 TRP 12 -7.973 2.946 6.116 96 HE3 TRP 12 HE3 TRP 12 -4.517 3.815 2.182 97 HZ2 TRP 12 HZ2 TRP 12 -7.123 5.672 5.982 98 HZ3 TRP 12 HZ3 TRP 12 -4.337 6.215 2.760 99 HH2 TRP 12 HH2 TRP 12 -5.634 7.148 4.655 100 H PHE 13 HN PHE 13 -6.016 0.513 -1.072 101 HA PHE 13 HA PHE 13 -3.859 -1.392 -1.133 102 HB2 PHE 13 HB2 PHE 13 -5.790 -1.682 -2.539 103 HB3 PHE 13 HB3 PHE 13 -5.603 -0.070 -3.227 104 HD1 PHE 13 HD1 PHE 13 -3.697 -3.281 -2.836 105 HD2 PHE 13 HD2 PHE 13 -4.503 0.163 -5.272 106 HE1 PHE 13 HE1 PHE 13 -2.249 -4.206 -4.624 107 HE2 PHE 13 HE2 PHE 13 -3.056 -0.763 -7.061 108 HZ PHE 13 HZ PHE 13 -1.928 -2.947 -6.737 109 H SER 14 HN SER 14 -4.238 1.842 -2.546 110 HA SER 14 HA SER 14 -1.658 2.026 -3.766 111 HB2 SER 14 HB2 SER 14 -2.160 4.523 -3.552 112 HB3 SER 14 HB3 SER 14 -3.406 3.569 -4.351 113 HG SER 14 HG SER 14 -4.590 4.549 -2.873 114 H LEU 15 HN LEU 15 -2.798 2.672 -0.508 115 HA LEU 15 HA LEU 15 -0.447 3.945 0.547 116 HB2 LEU 15 HB2 LEU 15 -2.735 3.877 1.566 117 HB3 LEU 15 HB3 LEU 15 -2.507 2.161 1.895 118 HG LEU 15 HG LEU 15 -0.258 3.101 3.032 119 HD11 LEU 15 HD11 LEU 15 -2.291 5.343 3.204 120 HD12 LEU 15 HD12 LEU 15 -0.662 5.434 2.532 121 HD13 LEU 15 HD13 LEU 15 -0.890 5.204 4.266 122 HD21 LEU 15 HD21 LEU 15 -2.036 1.716 4.093 123 HD22 LEU 15 HD22 LEU 15 -2.996 3.174 4.343 124 HD23 LEU 15 HD23 LEU 15 -1.450 2.981 5.173 125 H LEU 16 HN LEU 16 -1.481 0.531 0.362 126 HA LEU 16 HA LEU 16 0.734 -0.620 1.765 127 HB2 LEU 16 HB2 LEU 16 -1.551 -1.598 1.043 128 HB3 LEU 16 HB3 LEU 16 -0.796 -1.869 -0.527 129 HG LEU 16 HG LEU 16 0.867 -2.802 1.700 130 HD11 LEU 16 HD11 LEU 16 -1.769 -4.214 1.202 131 HD12 LEU 16 HD12 LEU 16 -1.441 -3.213 2.616 132 HD13 LEU 16 HD13 LEU 16 -0.512 -4.687 2.344 133 HD21 LEU 16 HD21 LEU 16 -0.322 -4.367 -0.600 134 HD22 LEU 16 HD22 LEU 16 1.198 -4.661 0.244 135 HD23 LEU 16 HD23 LEU 16 1.038 -3.267 -0.824 136 H LEU 17 HN LEU 17 0.208 0.145 -1.637 137 HA LEU 17 HA LEU 17 2.606 -0.990 -2.707 138 HB2 LEU 17 HB2 LEU 17 0.393 0.100 -3.737 139 HB3 LEU 17 HB3 LEU 17 1.421 1.532 -3.801 140 HG LEU 17 HG LEU 17 3.144 -0.268 -4.825 141 HD11 LEU 17 HD11 LEU 17 1.634 -2.163 -4.707 142 HD12 LEU 17 HD12 LEU 17 1.827 -1.720 -6.404 143 HD13 LEU 17 HD13 LEU 17 0.365 -1.257 -5.532 144 HD21 LEU 17 HD21 LEU 17 2.435 1.856 -5.872 145 HD22 LEU 17 HD22 LEU 17 0.919 1.106 -6.370 146 HD23 LEU 17 HD23 LEU 17 2.447 0.546 -7.052 147 H LEU 18 HN LEU 18 1.880 2.108 -1.222 148 HA LEU 18 HA LEU 18 4.446 3.350 -1.765 149 HB2 LEU 18 HB2 LEU 18 2.117 4.366 -1.183 150 HB3 LEU 18 HB3 LEU 18 2.566 4.038 0.490 151 HG LEU 18 HG LEU 18 4.719 5.336 -1.013 152 HD11 LEU 18 HD11 LEU 18 3.652 7.535 -1.168 153 HD12 LEU 18 HD12 LEU 18 2.133 6.862 -0.576 154 HD13 LEU 18 HD13 LEU 18 2.762 6.370 -2.149 155 HD21 LEU 18 HD21 LEU 18 3.220 6.266 1.450 156 HD22 LEU 18 HD22 LEU 18 4.881 6.640 0.992 157 HD23 LEU 18 HD23 LEU 18 4.455 5.008 1.507 158 H ALA 19 HN ALA 19 3.073 1.486 0.900 159 HA ALA 19 HA ALA 19 5.142 1.873 2.840 160 HB1 ALA 19 HB1 ALA 19 4.099 0.022 3.928 161 HB2 ALA 19 HB2 ALA 19 3.560 -0.669 2.398 162 HB3 ALA 19 HB3 ALA 19 2.803 0.798 3.019 163 H ALA 20 HN ALA 20 4.780 -0.510 0.209 164 HA ALA 20 HA ALA 20 7.095 -2.099 0.790 165 HB1 ALA 20 HB1 ALA 20 5.329 -2.812 -0.728 166 HB2 ALA 20 HB2 ALA 20 6.829 -2.704 -1.648 167 HB3 ALA 20 HB3 ALA 20 5.621 -1.427 -1.779 168 H GLY 21 HN GLY 21 6.644 0.843 -1.184 169 HA2 GLY 21 HA2 GLY 21 9.321 0.955 -2.221 170 HA3 GLY 21 HA3 GLY 21 8.208 2.321 -2.121 171 H VAL 22 HN VAL 22 7.816 2.228 0.740 172 HA VAL 22 HA VAL 22 9.991 3.849 1.657 173 HB VAL 22 HB VAL 22 7.883 2.240 3.147 174 HG11 VAL 22 HG11 VAL 22 9.699 2.905 4.657 175 HG12 VAL 22 HG12 VAL 22 8.264 3.878 4.978 176 HG13 VAL 22 HG13 VAL 22 9.608 4.564 4.064 177 HG21 VAL 22 HG21 VAL 22 7.592 4.386 1.388 178 HG22 VAL 22 HG22 VAL 22 7.570 5.143 2.980 179 HG23 VAL 22 HG23 VAL 22 6.413 3.870 2.594 180 H GLY 23 HN GLY 23 9.252 0.384 2.176 181 HA2 GLY 23 HA2 GLY 23 11.446 -0.176 3.927 182 HA3 GLY 23 HA3 GLY 23 10.603 -1.374 2.944 183 H ILE 24 HN ILE 24 11.138 -0.310 0.373 184 HA ILE 24 HA ILE 24 13.789 -1.347 -0.130 185 HB ILE 24 HB ILE 24 11.815 0.292 -1.763 186 HG12 ILE 24 HG12 ILE 24 11.022 -1.944 -1.093 187 HG13 ILE 24 HG13 ILE 24 11.337 -1.895 -2.826 188 HG21 ILE 24 HG21 ILE 24 13.145 -0.592 -3.733 189 HG22 ILE 24 HG22 ILE 24 14.393 -1.070 -2.583 190 HG23 ILE 24 HG23 ILE 24 13.973 0.632 -2.771 191 HD11 ILE 24 HD11 ILE 24 12.965 -3.208 -0.654 192 HD12 ILE 24 HD12 ILE 24 13.706 -2.772 -2.193 193 HD13 ILE 24 HD13 ILE 24 12.359 -3.908 -2.154 194 H TYR 25 HN TYR 25 12.481 1.964 0.223 195 HA TYR 25 HA TYR 25 14.836 3.379 -0.611 196 HB2 TYR 25 HB2 TYR 25 12.390 4.152 -0.103 197 HB3 TYR 25 HB3 TYR 25 12.963 4.318 1.558 198 HD1 TYR 25 HD1 TYR 25 14.737 5.928 2.131 199 HD2 TYR 25 HD2 TYR 25 13.216 5.604 -1.873 200 HE1 TYR 25 HE1 TYR 25 15.795 8.094 1.552 201 HE2 TYR 25 HE2 TYR 25 14.271 7.771 -2.451 202 HH TYR 25 HH TYR 25 16.609 9.107 -1.036 203 H LEU 26 HN LEU 26 14.005 1.714 2.367 204 HA LEU 26 HA LEU 26 16.163 2.927 3.951 205 HB2 LEU 26 HB2 LEU 26 14.222 0.623 4.302 206 HB3 LEU 26 HB3 LEU 26 15.418 1.043 5.526 207 HG LEU 26 HG LEU 26 13.667 3.219 4.443 208 HD11 LEU 26 HD11 LEU 26 12.791 1.369 6.675 209 HD12 LEU 26 HD12 LEU 26 12.206 1.220 5.017 210 HD13 LEU 26 HD13 LEU 26 11.870 2.683 5.942 211 HD21 LEU 26 HD21 LEU 26 14.709 2.607 7.228 212 HD22 LEU 26 HD22 LEU 26 13.986 4.120 6.680 213 HD23 LEU 26 HD23 LEU 26 15.557 3.615 6.055 214 H LEU 27 HN LEU 27 15.779 0.268 1.729 215 HA LEU 27 HA LEU 27 18.583 -0.616 2.298 216 HB2 LEU 27 HB2 LEU 27 16.488 -1.985 3.184 217 HB3 LEU 27 HB3 LEU 27 16.417 -2.545 1.511 218 HG LEU 27 HG LEU 27 19.050 -2.877 1.942 219 HD11 LEU 27 HD11 LEU 27 18.938 -2.026 4.254 220 HD12 LEU 27 HD12 LEU 27 19.400 -3.727 4.237 221 HD13 LEU 27 HD13 LEU 27 17.751 -3.266 4.658 222 HD21 LEU 27 HD21 LEU 27 16.804 -4.744 2.762 223 HD22 LEU 27 HD22 LEU 27 18.483 -5.253 2.587 224 HD23 LEU 27 HD23 LEU 27 17.591 -4.656 1.187 225 HA PRO 28 HA PRO 28 17.619 -0.260 -2.275 226 HB2 PRO 28 HB2 PRO 28 18.255 2.339 -2.847 227 HB3 PRO 28 HB3 PRO 28 16.635 1.823 -2.343 228 HG2 PRO 28 HG2 PRO 28 18.602 3.387 -0.880 229 HG3 PRO 28 HG3 PRO 28 16.885 3.150 -0.553 230 HD2 PRO 28 HD2 PRO 28 19.159 1.853 0.690 231 HD3 PRO 28 HD3 PRO 28 17.449 1.773 1.136 232 H ASN 29 HN ASN 29 20.314 0.809 -0.320 233 HA ASN 29 HA ASN 29 22.282 1.073 -2.431 234 HB2 ASN 29 HB2 ASN 29 22.362 2.032 -0.100 235 HB3 ASN 29 HB3 ASN 29 22.636 0.400 0.509 236 HD21 ASN 29 HD21 ASN 29 24.027 2.718 -1.891 237 HD22 ASN 29 HD22 ASN 29 25.631 2.210 -1.662 238 H ARG 30 HN ARG 30 21.271 -1.612 -0.310 239 HA ARG 30 HA ARG 30 22.481 -3.542 -2.197 240 HB2 ARG 30 HB2 ARG 30 23.841 -4.571 -0.410 241 HB3 ARG 30 HB3 ARG 30 24.291 -2.882 -0.637 242 HG2 ARG 30 HG2 ARG 30 24.037 -2.748 1.621 243 HG3 ARG 30 HG3 ARG 30 22.316 -2.650 1.246 244 HD2 ARG 30 HD2 ARG 30 22.776 -5.383 1.202 245 HD3 ARG 30 HD3 ARG 30 23.809 -4.827 2.534 246 HE ARG 30 HE ARG 30 20.918 -4.055 2.337 247 HH11 ARG 30 HH21 ARG 30 22.676 -2.757 4.410 248 HH12 ARG 30 HH22 ARG 30 22.375 -3.740 5.803 249 HH21 ARG 30 HH11 ARG 30 20.969 -6.346 3.981 250 HH22 ARG 30 HH12 ARG 30 21.403 -5.781 5.559 Start of MODEL 14 1 HA HIS 1 HA HIS 1 -16.646 5.190 -5.827 2 HB2 HIS 1 HB2 HIS 1 -13.840 4.685 -4.798 3 HB3 HIS 1 HB3 HIS 1 -14.735 6.152 -4.402 4 HD1 HIS 1 HD1 HIS 1 -14.314 2.669 -3.384 5 HD2 HIS 1 HD2 HIS 1 -17.311 5.546 -3.031 6 HE1 HIS 1 HE1 HIS 1 -15.878 1.855 -1.566 7 H SER 2 HN SER 2 -16.464 7.313 -6.651 8 HA SER 2 HA SER 2 -14.402 7.703 -8.794 9 HB2 SER 2 HB2 SER 2 -16.175 9.412 -9.562 10 HB3 SER 2 HB3 SER 2 -16.609 7.712 -9.693 11 HG SER 2 HG SER 2 -17.565 9.694 -7.998 12 H VAL 3 HN VAL 3 -13.492 8.203 -6.234 13 HA VAL 3 HA VAL 3 -12.495 9.856 -4.887 14 HB VAL 3 HB VAL 3 -12.963 11.587 -7.339 15 HG11 VAL 3 HG11 VAL 3 -11.028 11.622 -5.024 16 HG12 VAL 3 HG12 VAL 3 -12.051 12.928 -5.622 17 HG13 VAL 3 HG13 VAL 3 -10.639 12.421 -6.547 18 HG21 VAL 3 HG21 VAL 3 -10.981 9.375 -6.796 19 HG22 VAL 3 HG22 VAL 3 -10.578 10.697 -7.892 20 HG23 VAL 3 HG23 VAL 3 -11.953 9.651 -8.242 21 H SER 4 HN SER 4 -15.013 9.558 -4.070 22 HA SER 4 HA SER 4 -16.750 11.849 -4.306 23 HB2 SER 4 HB2 SER 4 -17.566 9.648 -3.669 24 HB3 SER 4 HB3 SER 4 -16.490 9.611 -2.276 25 HG SER 4 HG SER 4 -18.823 11.121 -2.722 26 H HIS 5 HN HIS 5 -14.202 10.961 -2.049 27 HA HIS 5 HA HIS 5 -14.327 13.718 -0.883 28 HB2 HIS 5 HB2 HIS 5 -15.198 11.416 0.354 29 HB3 HIS 5 HB3 HIS 5 -13.535 11.527 0.929 30 HD1 HIS 5 HD1 HIS 5 -12.913 14.151 1.750 31 HD2 HIS 5 HD2 HIS 5 -16.901 12.943 1.886 32 HE1 HIS 5 HE1 HIS 5 -14.091 15.741 3.331 33 H ALA 6 HN ALA 6 -12.515 12.308 -2.910 34 HA ALA 6 HA ALA 6 -10.209 12.069 -3.365 35 HB1 ALA 6 HB1 ALA 6 -10.142 14.279 -1.284 36 HB2 ALA 6 HB2 ALA 6 -10.585 14.512 -2.975 37 HB3 ALA 6 HB3 ALA 6 -8.950 14.002 -2.554 38 H ARG 7 HN ARG 7 -10.964 10.075 -1.586 39 HA ARG 7 HA ARG 7 -8.697 10.030 0.382 40 HB2 ARG 7 HB2 ARG 7 -10.291 8.498 1.682 41 HB3 ARG 7 HB3 ARG 7 -10.740 10.199 1.601 42 HG2 ARG 7 HG2 ARG 7 -12.553 9.798 0.244 43 HG3 ARG 7 HG3 ARG 7 -11.781 8.437 -0.568 44 HD2 ARG 7 HD2 ARG 7 -12.440 6.914 1.056 45 HD3 ARG 7 HD3 ARG 7 -12.467 8.141 2.339 46 HE ARG 7 HE ARG 7 -14.462 8.341 0.132 47 HH11 ARG 7 HH21 ARG 7 -15.303 6.205 1.971 48 HH12 ARG 7 HH22 ARG 7 -16.193 7.058 3.188 49 HH21 ARG 7 HH11 ARG 7 -14.882 10.163 2.339 50 HH22 ARG 7 HH12 ARG 7 -15.955 9.309 3.394 51 HA PRO 8 HA PRO 8 -7.727 6.493 -2.225 52 HB2 PRO 8 HB2 PRO 8 -5.133 6.260 -1.393 53 HB3 PRO 8 HB3 PRO 8 -5.658 7.457 -2.592 54 HG2 PRO 8 HG2 PRO 8 -4.984 7.816 0.264 55 HG3 PRO 8 HG3 PRO 8 -4.791 8.932 -1.094 56 HD2 PRO 8 HD2 PRO 8 -6.810 9.033 0.819 57 HD3 PRO 8 HD3 PRO 8 -6.828 9.856 -0.755 58 H ARG 9 HN ARG 9 -8.632 4.615 -1.427 59 HA ARG 9 HA ARG 9 -7.424 3.396 1.031 60 HB2 ARG 9 HB2 ARG 9 -9.500 4.708 1.564 61 HB3 ARG 9 HB3 ARG 9 -10.402 3.679 0.454 62 HG2 ARG 9 HG2 ARG 9 -9.237 1.765 1.949 63 HG3 ARG 9 HG3 ARG 9 -9.298 3.056 3.148 64 HD2 ARG 9 HD2 ARG 9 -11.572 2.935 3.335 65 HD3 ARG 9 HD3 ARG 9 -11.794 2.712 1.587 66 HE ARG 9 HE ARG 9 -10.615 0.452 3.115 67 HH11 ARG 9 HH11 ARG 9 -11.779 0.345 0.289 68 HH12 ARG 9 HH12 ARG 9 -13.286 -0.455 0.579 69 HH21 ARG 9 HH21 ARG 9 -13.213 0.096 4.012 70 HH22 ARG 9 HH22 ARG 9 -14.103 -0.593 2.696 71 H TRP 10 HN TRP 10 -10.346 1.996 -0.332 72 HA TRP 10 HA TRP 10 -10.636 -0.099 -1.418 73 HB2 TRP 10 HB2 TRP 10 -9.084 1.633 -2.981 74 HB3 TRP 10 HB3 TRP 10 -8.177 0.120 -2.995 75 HD1 TRP 10 HD1 TRP 10 -10.852 1.787 -4.780 76 HE1 TRP 10 HE1 TRP 10 -12.280 0.117 -6.127 77 HE3 TRP 10 HE3 TRP 10 -9.302 -2.599 -2.673 78 HZ2 TRP 10 HZ2 TRP 10 -12.708 -2.708 -6.289 79 HZ3 TRP 10 HZ3 TRP 10 -10.235 -4.762 -3.441 80 HH2 TRP 10 HH2 TRP 10 -11.935 -4.822 -5.244 81 H PHE 11 HN PHE 11 -9.754 -0.586 0.983 82 HA PHE 11 HA PHE 11 -8.491 -2.056 2.337 83 HB2 PHE 11 HB2 PHE 11 -8.792 -3.251 -0.176 84 HB3 PHE 11 HB3 PHE 11 -7.054 -3.328 0.110 85 HD1 PHE 11 HD1 PHE 11 -6.238 -4.275 2.353 86 HD2 PHE 11 HD2 PHE 11 -10.266 -4.729 0.930 87 HE1 PHE 11 HE1 PHE 11 -6.581 -6.161 3.926 88 HE2 PHE 11 HE2 PHE 11 -10.609 -6.614 2.504 89 HZ PHE 11 HZ PHE 11 -8.767 -7.331 4.002 90 H TRP 12 HN TRP 12 -7.546 0.568 1.192 91 HA TRP 12 HA TRP 12 -5.622 1.887 0.975 92 HB2 TRP 12 HB2 TRP 12 -5.193 -0.025 3.245 93 HB3 TRP 12 HB3 TRP 12 -3.963 1.173 2.850 94 HD1 TRP 12 HD1 TRP 12 -4.833 3.787 2.797 95 HE1 TRP 12 HE1 TRP 12 -6.601 4.944 4.272 96 HE3 TRP 12 HE3 TRP 12 -7.323 -0.307 4.562 97 HZ2 TRP 12 HZ2 TRP 12 -8.785 4.228 5.975 98 HZ3 TRP 12 HZ3 TRP 12 -9.245 -0.041 6.103 99 HH2 TRP 12 HH2 TRP 12 -9.978 2.219 6.811 100 H PHE 13 HN PHE 13 -5.745 -0.070 -0.989 101 HA PHE 13 HA PHE 13 -3.378 -1.679 -1.261 102 HB2 PHE 13 HB2 PHE 13 -5.336 -2.170 -2.560 103 HB3 PHE 13 HB3 PHE 13 -5.446 -0.509 -3.140 104 HD1 PHE 13 HD2 PHE 13 -3.043 -3.399 -3.130 105 HD2 PHE 13 HD1 PHE 13 -4.597 -0.004 -5.253 106 HE1 PHE 13 HE2 PHE 13 -1.637 -3.981 -5.088 107 HE2 PHE 13 HE1 PHE 13 -3.191 -0.585 -7.211 108 HZ PHE 13 HZ PHE 13 -1.712 -2.573 -7.129 109 H SER 14 HN SER 14 -4.280 1.510 -2.516 110 HA SER 14 HA SER 14 -1.804 2.118 -3.830 111 HB2 SER 14 HB2 SER 14 -4.093 3.243 -4.033 112 HB3 SER 14 HB3 SER 14 -3.734 4.045 -2.506 113 HG SER 14 HG SER 14 -2.494 4.310 -5.023 114 H LEU 15 HN LEU 15 -2.979 2.559 -0.553 115 HA LEU 15 HA LEU 15 -0.773 4.115 0.476 116 HB2 LEU 15 HB2 LEU 15 -3.113 3.801 1.428 117 HB3 LEU 15 HB3 LEU 15 -2.622 2.180 1.916 118 HG LEU 15 HG LEU 15 -0.671 4.186 2.740 119 HD11 LEU 15 HD11 LEU 15 -3.113 5.299 2.790 120 HD12 LEU 15 HD12 LEU 15 -1.933 5.585 4.068 121 HD13 LEU 15 HD13 LEU 15 -3.208 4.391 4.299 122 HD21 LEU 15 HD21 LEU 15 -2.395 2.380 4.450 123 HD22 LEU 15 HD22 LEU 15 -0.765 2.962 4.785 124 HD23 LEU 15 HD23 LEU 15 -1.029 1.763 3.520 125 H LEU 16 HN LEU 16 -1.524 0.617 0.455 126 HA LEU 16 HA LEU 16 0.777 -0.274 1.901 127 HB2 LEU 16 HB2 LEU 16 -1.495 -1.387 0.983 128 HB3 LEU 16 HB3 LEU 16 -0.401 -1.924 -0.291 129 HG LEU 16 HG LEU 16 0.378 -2.259 2.597 130 HD11 LEU 16 HD11 LEU 16 -0.733 -4.384 2.713 131 HD12 LEU 16 HD12 LEU 16 -1.207 -4.299 1.016 132 HD13 LEU 16 HD13 LEU 16 -1.946 -3.213 2.194 133 HD21 LEU 16 HD21 LEU 16 1.132 -3.379 -0.079 134 HD22 LEU 16 HD22 LEU 16 1.327 -4.406 1.341 135 HD23 LEU 16 HD23 LEU 16 2.170 -2.860 1.250 136 H LEU 17 HN LEU 17 0.228 0.327 -1.530 137 HA LEU 17 HA LEU 17 2.692 -0.705 -2.552 138 HB2 LEU 17 HB2 LEU 17 0.509 0.116 -3.714 139 HB3 LEU 17 HB3 LEU 17 1.243 1.716 -3.623 140 HG LEU 17 HG LEU 17 3.028 -0.403 -4.654 141 HD11 LEU 17 HD11 LEU 17 0.789 -1.012 -5.634 142 HD12 LEU 17 HD12 LEU 17 1.990 -0.540 -6.836 143 HD13 LEU 17 HD13 LEU 17 0.727 0.595 -6.358 144 HD21 LEU 17 HD21 LEU 17 3.829 1.357 -5.999 145 HD22 LEU 17 HD22 LEU 17 3.321 2.189 -4.530 146 HD23 LEU 17 HD23 LEU 17 2.288 2.214 -5.959 147 H LEU 18 HN LEU 18 1.796 2.389 -1.158 148 HA LEU 18 HA LEU 18 4.262 3.787 -1.703 149 HB2 LEU 18 HB2 LEU 18 1.909 4.663 -1.085 150 HB3 LEU 18 HB3 LEU 18 2.344 4.282 0.581 151 HG LEU 18 HG LEU 18 4.467 5.751 -0.775 152 HD11 LEU 18 HD11 LEU 18 1.731 7.042 -0.540 153 HD12 LEU 18 HD12 LEU 18 2.634 6.767 -2.030 154 HD13 LEU 18 HD13 LEU 18 3.232 7.919 -0.836 155 HD21 LEU 18 HD21 LEU 18 4.422 7.031 1.262 156 HD22 LEU 18 HD22 LEU 18 4.104 5.355 1.710 157 HD23 LEU 18 HD23 LEU 18 2.775 6.510 1.622 158 H ALA 19 HN ALA 19 3.066 1.836 0.983 159 HA ALA 19 HA ALA 19 5.243 2.332 2.811 160 HB1 ALA 19 HB1 ALA 19 2.984 1.405 3.365 161 HB2 ALA 19 HB2 ALA 19 4.293 0.391 3.974 162 HB3 ALA 19 HB3 ALA 19 3.417 -0.079 2.517 163 H ALA 20 HN ALA 20 4.682 -0.120 0.285 164 HA ALA 20 HA ALA 20 6.955 -1.782 0.827 165 HB1 ALA 20 HB1 ALA 20 5.200 -1.170 -1.547 166 HB2 ALA 20 HB2 ALA 20 5.288 -2.651 -0.594 167 HB3 ALA 20 HB3 ALA 20 6.580 -2.253 -1.725 168 H GLY 21 HN GLY 21 6.539 1.053 -1.320 169 HA2 GLY 21 HA2 GLY 21 9.158 1.043 -2.454 170 HA3 GLY 21 HA3 GLY 21 8.129 2.469 -2.310 171 H VAL 22 HN VAL 22 7.880 2.486 0.539 172 HA VAL 22 HA VAL 22 10.251 3.920 1.308 173 HB VAL 22 HB VAL 22 7.999 2.654 2.914 174 HG11 VAL 22 HG11 VAL 22 8.729 4.653 4.481 175 HG12 VAL 22 HG12 VAL 22 10.281 4.453 3.668 176 HG13 VAL 22 HG13 VAL 22 9.575 3.108 4.565 177 HG21 VAL 22 HG21 VAL 22 8.078 5.570 2.598 178 HG22 VAL 22 HG22 VAL 22 6.738 4.453 2.347 179 HG23 VAL 22 HG23 VAL 22 7.913 4.722 1.061 180 H GLY 23 HN GLY 23 9.185 0.559 1.846 181 HA2 GLY 23 HA2 GLY 23 11.202 -0.221 3.701 182 HA3 GLY 23 HA3 GLY 23 10.366 -1.322 2.607 183 H ILE 24 HN ILE 24 11.153 -0.380 0.126 184 HA ILE 24 HA ILE 24 13.823 -1.459 -0.135 185 HB ILE 24 HB ILE 24 11.801 -0.067 -1.892 186 HG12 ILE 24 HG12 ILE 24 12.669 -2.431 -3.064 187 HG13 ILE 24 HG13 ILE 24 12.751 -2.787 -1.339 188 HG21 ILE 24 HG21 ILE 24 13.411 -0.523 -3.819 189 HG22 ILE 24 HG22 ILE 24 14.676 -0.702 -2.603 190 HG23 ILE 24 HG23 ILE 24 13.834 0.838 -2.781 191 HD11 ILE 24 HD11 ILE 24 10.318 -1.414 -2.435 192 HD12 ILE 24 HD12 ILE 24 10.465 -2.464 -1.026 193 HD13 ILE 24 HD13 ILE 24 10.495 -3.156 -2.647 194 H TYR 25 HN TYR 25 12.530 1.865 0.087 195 HA TYR 25 HA TYR 25 14.941 3.244 -0.654 196 HB2 TYR 25 HB2 TYR 25 12.504 4.081 -0.298 197 HB3 TYR 25 HB3 TYR 25 12.956 4.215 1.403 198 HD1 TYR 25 HD1 TYR 25 14.706 5.785 2.130 199 HD2 TYR 25 HD2 TYR 25 13.507 5.525 -1.986 200 HE1 TYR 25 HE1 TYR 25 15.853 7.931 1.660 201 HE2 TYR 25 HE2 TYR 25 14.652 7.672 -2.455 202 HH TYR 25 HH TYR 25 16.881 8.940 -0.905 203 H LEU 26 HN LEU 26 13.934 1.621 2.293 204 HA LEU 26 HA LEU 26 16.010 2.810 3.989 205 HB2 LEU 26 HB2 LEU 26 14.092 0.467 4.206 206 HB3 LEU 26 HB3 LEU 26 15.214 0.894 5.496 207 HG LEU 26 HG LEU 26 13.465 3.040 4.347 208 HD11 LEU 26 HD11 LEU 26 12.556 1.130 6.515 209 HD12 LEU 26 HD12 LEU 26 12.015 1.031 4.840 210 HD13 LEU 26 HD13 LEU 26 11.635 2.457 5.806 211 HD21 LEU 26 HD21 LEU 26 14.379 2.453 7.180 212 HD22 LEU 26 HD22 LEU 26 13.688 3.959 6.575 213 HD23 LEU 26 HD23 LEU 26 15.291 3.451 6.047 214 H LEU 27 HN LEU 27 15.707 0.123 1.766 215 HA LEU 27 HA LEU 27 18.528 -0.686 2.366 216 HB2 LEU 27 HB2 LEU 27 16.534 -2.136 3.263 217 HB3 LEU 27 HB3 LEU 27 16.368 -2.637 1.578 218 HG LEU 27 HG LEU 27 19.144 -2.750 2.234 219 HD11 LEU 27 HD11 LEU 27 19.206 -4.246 4.116 220 HD12 LEU 27 HD12 LEU 27 17.445 -4.342 4.170 221 HD13 LEU 27 HD13 LEU 27 18.261 -2.840 4.607 222 HD21 LEU 27 HD21 LEU 27 18.706 -5.231 1.855 223 HD22 LEU 27 HD22 LEU 27 18.163 -4.163 0.560 224 HD23 LEU 27 HD23 LEU 27 16.996 -4.820 1.708 225 HA PRO 28 HA PRO 28 17.651 -0.294 -2.201 226 HB2 PRO 28 HB2 PRO 28 18.482 2.267 -2.719 227 HB3 PRO 28 HB3 PRO 28 16.819 1.849 -2.272 228 HG2 PRO 28 HG2 PRO 28 18.828 3.269 -0.726 229 HG3 PRO 28 HG3 PRO 28 17.094 3.122 -0.448 230 HD2 PRO 28 HD2 PRO 28 19.256 1.678 0.830 231 HD3 PRO 28 HD3 PRO 28 17.533 1.687 1.231 232 H ASN 29 HN ASN 29 20.391 0.625 -0.208 233 HA ASN 29 HA ASN 29 22.346 0.435 -2.411 234 HB2 ASN 29 HB2 ASN 29 22.316 1.065 0.519 235 HB3 ASN 29 HB3 ASN 29 23.844 0.561 -0.203 236 HD21 ASN 29 HD21 ASN 29 24.968 2.097 -1.485 237 HD22 ASN 29 HD22 ASN 29 24.357 3.635 -1.860 238 H ARG 30 HN ARG 30 21.179 -1.549 0.294 239 HA ARG 30 HA ARG 30 21.493 -3.826 0.797 240 HB2 ARG 30 HB2 ARG 30 21.328 -3.496 -1.983 241 HB3 ARG 30 HB3 ARG 30 22.721 -4.552 -1.750 242 HG2 ARG 30 HG2 ARG 30 20.619 -5.384 0.026 243 HG3 ARG 30 HG3 ARG 30 19.968 -5.248 -1.607 244 HD2 ARG 30 HD2 ARG 30 20.829 -7.461 -1.534 245 HD3 ARG 30 HD3 ARG 30 22.130 -6.545 -2.320 246 HE ARG 30 HE ARG 30 23.082 -6.288 0.066 247 HH11 ARG 30 HH21 ARG 30 20.810 -7.846 1.333 248 HH12 ARG 30 HH22 ARG 30 21.523 -9.414 1.517 249 HH21 ARG 30 HH11 ARG 30 24.136 -8.763 -0.683 250 HH22 ARG 30 HH12 ARG 30 23.417 -9.935 0.369 Start of MODEL 15 1 HA HIS 1 HA HIS 1 -12.636 10.939 5.620 2 HB2 HIS 1 HB2 HIS 1 -11.702 9.310 3.950 3 HB3 HIS 1 HB3 HIS 1 -11.335 8.215 5.282 4 HD1 HIS 1 HD1 HIS 1 -13.089 6.478 5.526 5 HD2 HIS 1 HD2 HIS 1 -14.715 10.101 4.258 6 HE1 HIS 1 HE1 HIS 1 -15.585 6.107 5.309 7 H SER 2 HN SER 2 -14.057 10.269 7.282 8 HA SER 2 HA SER 2 -12.739 9.353 9.809 9 HB2 SER 2 HB2 SER 2 -14.933 10.301 10.753 10 HB3 SER 2 HB3 SER 2 -13.845 11.466 10.005 11 HG SER 2 HG SER 2 -15.461 11.909 8.742 12 H VAL 3 HN VAL 3 -13.347 7.403 7.778 13 HA VAL 3 HA VAL 3 -14.670 5.485 7.303 14 HB VAL 3 HB VAL 3 -14.600 4.011 9.293 15 HG11 VAL 3 HG11 VAL 3 -12.123 5.743 9.104 16 HG12 VAL 3 HG12 VAL 3 -12.562 4.525 7.907 17 HG13 VAL 3 HG13 VAL 3 -12.201 4.041 9.564 18 HG21 VAL 3 HG21 VAL 3 -13.929 4.814 11.451 19 HG22 VAL 3 HG22 VAL 3 -15.240 5.868 10.921 20 HG23 VAL 3 HG23 VAL 3 -13.567 6.418 10.814 21 H SER 4 HN SER 4 -16.464 7.601 7.388 22 HA SER 4 HA SER 4 -18.695 6.782 9.168 23 HB2 SER 4 HB2 SER 4 -17.683 9.204 8.396 24 HB3 SER 4 HB3 SER 4 -19.015 9.016 7.259 25 HG SER 4 HG SER 4 -19.026 9.353 10.011 26 H HIS 5 HN HIS 5 -17.686 6.560 5.860 27 HA HIS 5 HA HIS 5 -20.383 5.488 5.098 28 HB2 HIS 5 HB2 HIS 5 -18.564 7.456 3.931 29 HB3 HIS 5 HB3 HIS 5 -19.003 6.200 2.775 30 HD1 HIS 5 HD1 HIS 5 -21.519 5.974 2.143 31 HD2 HIS 5 HD2 HIS 5 -20.715 9.120 4.756 32 HE1 HIS 5 HE1 HIS 5 -23.607 7.407 2.203 33 H ALA 6 HN ALA 6 -17.996 4.020 6.259 34 HA ALA 6 HA ALA 6 -16.943 1.947 5.923 35 HB1 ALA 6 HB1 ALA 6 -19.359 1.644 4.948 36 HB2 ALA 6 HB2 ALA 6 -18.129 0.439 4.566 37 HB3 ALA 6 HB3 ALA 6 -18.544 1.680 3.384 38 H ARG 7 HN ARG 7 -14.935 3.049 5.470 39 HA ARG 7 HA ARG 7 -14.055 4.119 3.017 40 HB2 ARG 7 HB2 ARG 7 -11.853 3.831 3.951 41 HB3 ARG 7 HB3 ARG 7 -12.942 4.104 5.308 42 HG2 ARG 7 HG2 ARG 7 -13.059 1.369 5.045 43 HG3 ARG 7 HG3 ARG 7 -11.385 1.700 4.604 44 HD2 ARG 7 HD2 ARG 7 -11.213 3.100 6.725 45 HD3 ARG 7 HD3 ARG 7 -12.793 2.436 7.187 46 HE ARG 7 HE ARG 7 -10.274 0.950 7.124 47 HH11 ARG 7 HH21 ARG 7 -12.816 0.689 8.918 48 HH12 ARG 7 HH22 ARG 7 -13.321 -0.910 8.488 49 HH21 ARG 7 HH11 ARG 7 -11.296 -1.079 5.672 50 HH22 ARG 7 HH12 ARG 7 -12.459 -1.913 6.646 51 HA PRO 8 HA PRO 8 -13.854 0.573 0.382 52 HB2 PRO 8 HB2 PRO 8 -12.208 1.581 -1.555 53 HB3 PRO 8 HB3 PRO 8 -13.909 2.056 -1.388 54 HG2 PRO 8 HG2 PRO 8 -11.452 3.499 -0.555 55 HG3 PRO 8 HG3 PRO 8 -12.972 4.134 -1.202 56 HD2 PRO 8 HD2 PRO 8 -12.277 4.186 1.454 57 HD3 PRO 8 HD3 PRO 8 -13.948 4.233 0.852 58 H ARG 9 HN ARG 9 -12.117 -0.838 -0.678 59 HA ARG 9 HA ARG 9 -9.726 -1.023 1.124 60 HB2 ARG 9 HB2 ARG 9 -11.376 -3.004 -0.462 61 HB3 ARG 9 HB3 ARG 9 -9.805 -3.438 0.213 62 HG2 ARG 9 HG2 ARG 9 -10.561 -3.372 2.385 63 HG3 ARG 9 HG3 ARG 9 -11.737 -2.101 2.048 64 HD2 ARG 9 HD2 ARG 9 -13.312 -3.742 2.060 65 HD3 ARG 9 HD3 ARG 9 -12.621 -4.280 0.516 66 HE ARG 9 HE ARG 9 -11.158 -5.815 1.780 67 HH11 ARG 9 HH11 ARG 9 -11.141 -4.474 4.434 68 HH12 ARG 9 HH12 ARG 9 -12.225 -5.453 5.364 69 HH21 ARG 9 HH21 ARG 9 -13.653 -6.972 2.583 70 HH22 ARG 9 HH22 ARG 9 -13.652 -6.874 4.312 71 H TRP 10 HN TRP 10 -10.764 -1.141 -2.287 72 HA TRP 10 HA TRP 10 -8.227 -1.726 -3.465 73 HB2 TRP 10 HB2 TRP 10 -9.302 -1.029 -5.502 74 HB3 TRP 10 HB3 TRP 10 -10.559 -1.749 -4.501 75 HD1 TRP 10 HD1 TRP 10 -12.427 -0.165 -3.525 76 HE1 TRP 10 HE1 TRP 10 -13.121 2.258 -4.060 77 HE3 TRP 10 HE3 TRP 10 -8.371 1.340 -6.244 78 HZ2 TRP 10 HZ2 TRP 10 -12.098 4.533 -5.459 79 HZ3 TRP 10 HZ3 TRP 10 -8.259 3.637 -7.166 80 HH2 TRP 10 HH2 TRP 10 -10.115 5.234 -6.777 81 H PHE 11 HN PHE 11 -9.633 1.319 -2.320 82 HA PHE 11 HA PHE 11 -7.689 3.082 -3.537 83 HB2 PHE 11 HB2 PHE 11 -9.706 4.078 -2.860 84 HB3 PHE 11 HB3 PHE 11 -9.740 3.197 -1.333 85 HD1 PHE 11 HD2 PHE 11 -7.770 5.800 -3.177 86 HD2 PHE 11 HD1 PHE 11 -8.977 4.225 0.634 87 HE1 PHE 11 HE2 PHE 11 -6.678 7.714 -2.039 88 HE2 PHE 11 HE1 PHE 11 -7.884 6.138 1.770 89 HZ PHE 11 HZ PHE 11 -6.734 7.881 0.435 90 H TRP 12 HN TRP 12 -7.950 1.542 -0.318 91 HA TRP 12 HA TRP 12 -5.577 2.739 0.782 92 HB2 TRP 12 HB2 TRP 12 -7.366 0.408 1.405 93 HB3 TRP 12 HB3 TRP 12 -5.875 0.619 2.320 94 HD1 TRP 12 HD1 TRP 12 -9.193 1.218 2.992 95 HE1 TRP 12 HE1 TRP 12 -9.653 3.390 4.296 96 HE3 TRP 12 HE3 TRP 12 -4.799 3.701 2.171 97 HZ2 TRP 12 HZ2 TRP 12 -8.340 5.851 4.914 98 HZ3 TRP 12 HZ3 TRP 12 -4.437 5.957 3.131 99 HH2 TRP 12 HH2 TRP 12 -6.200 7.033 4.500 100 H PHE 13 HN PHE 13 -5.975 0.267 -1.557 101 HA PHE 13 HA PHE 13 -3.682 -1.366 -1.022 102 HB2 PHE 13 HB2 PHE 13 -5.683 -1.685 -2.640 103 HB3 PHE 13 HB3 PHE 13 -4.761 -0.678 -3.757 104 HD1 PHE 13 HD1 PHE 13 -2.599 -1.437 -4.659 105 HD2 PHE 13 HD2 PHE 13 -4.939 -3.928 -2.057 106 HE1 PHE 13 HE1 PHE 13 -1.228 -3.400 -5.305 107 HE2 PHE 13 HE2 PHE 13 -3.568 -5.891 -2.703 108 HZ PHE 13 HZ PHE 13 -1.713 -5.627 -4.328 109 H SER 14 HN SER 14 -4.126 1.691 -2.702 110 HA SER 14 HA SER 14 -1.528 1.918 -3.900 111 HB2 SER 14 HB2 SER 14 -3.687 3.277 -4.277 112 HB3 SER 14 HB3 SER 14 -3.242 4.172 -2.827 113 HG SER 14 HG SER 14 -1.296 4.737 -3.854 114 H LEU 15 HN LEU 15 -2.812 2.736 -0.730 115 HA LEU 15 HA LEU 15 -0.507 4.116 0.311 116 HB2 LEU 15 HB2 LEU 15 -2.822 4.190 1.235 117 HB3 LEU 15 HB3 LEU 15 -2.679 2.493 1.689 118 HG LEU 15 HG LEU 15 -0.396 3.924 2.699 119 HD11 LEU 15 HD11 LEU 15 -1.279 5.689 3.892 120 HD12 LEU 15 HD12 LEU 15 -2.882 4.962 3.987 121 HD13 LEU 15 HD13 LEU 15 -2.352 5.737 2.494 122 HD21 LEU 15 HD21 LEU 15 -1.275 3.038 4.850 123 HD22 LEU 15 HD22 LEU 15 -1.272 1.807 3.587 124 HD23 LEU 15 HD23 LEU 15 -2.780 2.603 4.039 125 H LEU 16 HN LEU 16 -1.574 0.706 0.431 126 HA LEU 16 HA LEU 16 0.552 -0.320 2.043 127 HB2 LEU 16 HB2 LEU 16 -1.674 -1.373 1.346 128 HB3 LEU 16 HB3 LEU 16 -0.913 -1.729 -0.203 129 HG LEU 16 HG LEU 16 0.754 -2.546 2.057 130 HD11 LEU 16 HD11 LEU 16 -0.652 -4.405 2.797 131 HD12 LEU 16 HD12 LEU 16 -1.938 -3.901 1.700 132 HD13 LEU 16 HD13 LEU 16 -1.501 -2.884 3.074 133 HD21 LEU 16 HD21 LEU 16 -0.498 -4.198 -0.155 134 HD22 LEU 16 HD22 LEU 16 0.991 -4.535 0.730 135 HD23 LEU 16 HD23 LEU 16 0.925 -3.187 -0.405 136 H LEU 17 HN LEU 17 0.243 0.116 -1.447 137 HA LEU 17 HA LEU 17 2.673 -1.149 -2.256 138 HB2 LEU 17 HB2 LEU 17 0.620 -0.247 -3.587 139 HB3 LEU 17 HB3 LEU 17 1.479 1.294 -3.563 140 HG LEU 17 HG LEU 17 3.147 -1.013 -4.338 141 HD11 LEU 17 HD11 LEU 17 0.896 -1.535 -5.375 142 HD12 LEU 17 HD12 LEU 17 2.204 -1.302 -6.535 143 HD13 LEU 17 HD13 LEU 17 1.030 -0.015 -6.261 144 HD21 LEU 17 HD21 LEU 17 3.557 1.586 -4.411 145 HD22 LEU 17 HD22 LEU 17 2.664 1.494 -5.929 146 HD23 LEU 17 HD23 LEU 17 4.157 0.576 -5.727 147 H LEU 18 HN LEU 18 1.950 2.087 -1.097 148 HA LEU 18 HA LEU 18 4.553 3.244 -1.592 149 HB2 LEU 18 HB2 LEU 18 2.226 4.327 -1.158 150 HB3 LEU 18 HB3 LEU 18 2.601 4.088 0.549 151 HG LEU 18 HG LEU 18 4.793 5.296 -1.016 152 HD11 LEU 18 HD11 LEU 18 2.951 6.417 -2.138 153 HD12 LEU 18 HD12 LEU 18 3.687 7.548 -1.003 154 HD13 LEU 18 HD13 LEU 18 2.166 6.755 -0.595 155 HD21 LEU 18 HD21 LEU 18 4.603 4.984 1.516 156 HD22 LEU 18 HD22 LEU 18 3.397 6.270 1.489 157 HD23 LEU 18 HD23 LEU 18 5.051 6.602 0.974 158 H ALA 19 HN ALA 19 3.067 1.544 1.114 159 HA ALA 19 HA ALA 19 5.087 2.016 3.097 160 HB1 ALA 19 HB1 ALA 19 2.694 0.992 3.223 161 HB2 ALA 19 HB2 ALA 19 3.933 0.324 4.286 162 HB3 ALA 19 HB3 ALA 19 3.486 -0.529 2.810 163 H ALA 20 HN ALA 20 4.721 -0.516 0.608 164 HA ALA 20 HA ALA 20 7.012 -2.093 1.360 165 HB1 ALA 20 HB1 ALA 20 5.276 -2.976 -0.071 166 HB2 ALA 20 HB2 ALA 20 6.742 -2.884 -1.048 167 HB3 ALA 20 HB3 ALA 20 5.484 -1.660 -1.226 168 H GLY 21 HN GLY 21 6.569 0.671 -0.849 169 HA2 GLY 21 HA2 GLY 21 9.202 0.687 -1.969 170 HA3 GLY 21 HA3 GLY 21 8.131 2.086 -1.880 171 H VAL 22 HN VAL 22 7.862 2.081 1.012 172 HA VAL 22 HA VAL 22 10.118 3.686 1.766 173 HB VAL 22 HB VAL 22 8.028 2.202 3.407 174 HG11 VAL 22 HG11 VAL 22 9.604 2.801 5.017 175 HG12 VAL 22 HG12 VAL 22 8.595 4.247 4.975 176 HG13 VAL 22 HG13 VAL 22 10.135 4.222 4.117 177 HG21 VAL 22 HG21 VAL 22 7.775 5.098 3.155 178 HG22 VAL 22 HG22 VAL 22 6.583 3.842 2.826 179 HG23 VAL 22 HG23 VAL 22 7.742 4.305 1.580 180 H GLY 23 HN GLY 23 9.303 0.262 2.415 181 HA2 GLY 23 HA2 GLY 23 11.526 -0.323 4.114 182 HA3 GLY 23 HA3 GLY 23 10.647 -1.517 3.156 183 H ILE 24 HN ILE 24 11.141 -0.480 0.571 184 HA ILE 24 HA ILE 24 13.794 -1.525 0.037 185 HB ILE 24 HB ILE 24 11.833 0.094 -1.643 186 HG12 ILE 24 HG12 ILE 24 12.273 -2.857 -1.934 187 HG13 ILE 24 HG13 ILE 24 11.292 -2.295 -0.580 188 HG21 ILE 24 HG21 ILE 24 14.272 -1.542 -2.400 189 HG22 ILE 24 HG22 ILE 24 14.019 0.181 -2.675 190 HG23 ILE 24 HG23 ILE 24 13.057 -1.003 -3.560 191 HD11 ILE 24 HD11 ILE 24 10.826 -1.618 -3.500 192 HD12 ILE 24 HD12 ILE 24 9.853 -1.038 -2.147 193 HD13 ILE 24 HD13 ILE 24 9.878 -2.756 -2.542 194 H TYR 25 HN TYR 25 12.457 1.746 0.474 195 HA TYR 25 HA TYR 25 14.711 3.230 -0.513 196 HB2 TYR 25 HB2 TYR 25 12.307 3.963 0.150 197 HB3 TYR 25 HB3 TYR 25 12.945 4.062 1.792 198 HD1 TYR 25 HD1 TYR 25 13.121 5.465 -1.613 199 HD2 TYR 25 HD2 TYR 25 14.634 5.718 2.400 200 HE1 TYR 25 HE1 TYR 25 14.121 7.674 -2.128 201 HE2 TYR 25 HE2 TYR 25 15.632 7.926 1.884 202 HH TYR 25 HH TYR 25 14.846 9.849 -0.239 203 H LEU 26 HN LEU 26 14.130 1.481 2.470 204 HA LEU 26 HA LEU 26 16.332 2.708 3.966 205 HB2 LEU 26 HB2 LEU 26 14.229 0.657 4.302 206 HB3 LEU 26 HB3 LEU 26 15.725 0.298 5.162 207 HG LEU 26 HG LEU 26 15.559 2.824 5.904 208 HD11 LEU 26 HD11 LEU 26 13.231 3.571 6.154 209 HD12 LEU 26 HD12 LEU 26 12.664 2.114 5.336 210 HD13 LEU 26 HD13 LEU 26 13.608 3.311 4.450 211 HD21 LEU 26 HD21 LEU 26 13.845 0.575 7.001 212 HD22 LEU 26 HD22 LEU 26 14.160 2.080 7.864 213 HD23 LEU 26 HD23 LEU 26 15.490 0.985 7.484 214 H LEU 27 HN LEU 27 15.910 0.113 1.663 215 HA LEU 27 HA LEU 27 18.809 -0.597 1.930 216 HB2 LEU 27 HB2 LEU 27 17.010 -2.175 2.976 217 HB3 LEU 27 HB3 LEU 27 16.634 -2.594 1.303 218 HG LEU 27 HG LEU 27 19.288 -2.860 1.159 219 HD11 LEU 27 HD11 LEU 27 19.563 -2.131 3.545 220 HD12 LEU 27 HD12 LEU 27 20.232 -3.729 3.222 221 HD13 LEU 27 HD13 LEU 27 18.680 -3.574 4.043 222 HD21 LEU 27 HD21 LEU 27 17.308 -4.849 2.300 223 HD22 LEU 27 HD22 LEU 27 18.937 -5.294 1.795 224 HD23 LEU 27 HD23 LEU 27 17.790 -4.663 0.614 225 HA PRO 28 HA PRO 28 17.407 -0.095 -2.508 226 HB2 PRO 28 HB2 PRO 28 17.997 2.531 -3.018 227 HB3 PRO 28 HB3 PRO 28 16.425 1.986 -2.407 228 HG2 PRO 28 HG2 PRO 28 18.511 3.487 -1.040 229 HG3 PRO 28 HG3 PRO 28 16.822 3.241 -0.592 230 HD2 PRO 28 HD2 PRO 28 19.165 1.898 0.439 231 HD3 PRO 28 HD3 PRO 28 17.487 1.774 0.976 232 H ASN 29 HN ASN 29 20.198 1.616 -1.053 233 HA ASN 29 HA ASN 29 21.908 1.155 -3.390 234 HB2 ASN 29 HB2 ASN 29 23.615 2.203 -1.898 235 HB3 ASN 29 HB3 ASN 29 22.130 3.149 -1.975 236 HD21 ASN 29 HD21 ASN 29 24.143 1.162 0.139 237 HD22 ASN 29 HD22 ASN 29 23.268 1.469 1.561 238 H ARG 30 HN ARG 30 21.380 -0.378 -0.234 239 HA ARG 30 HA ARG 30 22.221 -2.371 0.697 240 HB2 ARG 30 HB2 ARG 30 22.317 -2.832 -2.296 241 HB3 ARG 30 HB3 ARG 30 22.664 -4.115 -1.136 242 HG2 ARG 30 HG2 ARG 30 20.479 -4.152 -0.315 243 HG3 ARG 30 HG3 ARG 30 20.149 -2.499 -0.838 244 HD2 ARG 30 HD2 ARG 30 18.951 -3.986 -2.337 245 HD3 ARG 30 HD3 ARG 30 20.336 -3.342 -3.239 246 HE ARG 30 HE ARG 30 21.344 -5.625 -2.015 247 HH11 ARG 30 HH21 ARG 30 18.559 -6.713 -2.207 248 HH12 ARG 30 HH22 ARG 30 18.566 -7.461 -3.768 249 HH21 ARG 30 HH11 ARG 30 21.424 -5.797 -4.841 250 HH22 ARG 30 HH12 ARG 30 20.194 -6.942 -5.265 Start of MODEL 16 1 HA HIS 1 HA HIS 1 -8.548 20.751 -7.061 2 HB2 HIS 1 HB2 HIS 1 -7.204 22.435 -8.461 3 HB3 HIS 1 HB3 HIS 1 -8.142 21.874 -9.845 4 HD1 HIS 1 HD1 HIS 1 -8.518 23.669 -6.545 5 HD2 HIS 1 HD2 HIS 1 -10.828 22.749 -9.892 6 HE1 HIS 1 HE1 HIS 1 -10.663 24.998 -6.325 7 H SER 2 HN SER 2 -10.756 20.319 -7.451 8 HA SER 2 HA SER 2 -12.601 19.100 -8.265 9 HB2 SER 2 HB2 SER 2 -12.153 20.788 -10.070 10 HB3 SER 2 HB3 SER 2 -11.159 19.589 -10.893 11 HG SER 2 HG SER 2 -12.939 18.345 -11.226 12 H VAL 3 HN VAL 3 -11.243 17.238 -7.147 13 HA VAL 3 HA VAL 3 -11.149 15.007 -9.083 14 HB VAL 3 HB VAL 3 -8.903 15.646 -9.249 15 HG11 VAL 3 HG11 VAL 3 -7.769 15.963 -6.742 16 HG12 VAL 3 HG12 VAL 3 -9.343 16.737 -6.569 17 HG13 VAL 3 HG13 VAL 3 -8.237 17.267 -7.834 18 HG21 VAL 3 HG21 VAL 3 -8.408 13.943 -6.863 19 HG22 VAL 3 HG22 VAL 3 -7.793 13.787 -8.507 20 HG23 VAL 3 HG23 VAL 3 -9.428 13.253 -8.124 21 H SER 4 HN SER 4 -9.802 15.075 -5.806 22 HA SER 4 HA SER 4 -10.556 14.116 -3.789 23 HB2 SER 4 HB2 SER 4 -12.772 15.136 -4.922 24 HB3 SER 4 HB3 SER 4 -13.198 13.427 -4.960 25 HG SER 4 HG SER 4 -12.963 15.159 -2.839 26 H HIS 5 HN HIS 5 -10.654 12.441 -6.775 27 HA HIS 5 HA HIS 5 -10.946 9.796 -5.433 28 HB2 HIS 5 HB2 HIS 5 -11.347 8.995 -7.742 29 HB3 HIS 5 HB3 HIS 5 -12.430 10.321 -7.330 30 HD1 HIS 5 HD1 HIS 5 -12.308 12.410 -8.753 31 HD2 HIS 5 HD2 HIS 5 -9.113 9.826 -9.467 32 HE1 HIS 5 HE1 HIS 5 -11.058 13.348 -10.748 33 H ALA 6 HN ALA 6 -8.490 11.838 -6.102 34 HA ALA 6 HA ALA 6 -6.619 9.779 -7.178 35 HB1 ALA 6 HB1 ALA 6 -6.355 12.771 -6.714 36 HB2 ALA 6 HB2 ALA 6 -6.753 12.002 -8.251 37 HB3 ALA 6 HB3 ALA 6 -5.164 11.755 -7.527 38 H ARG 7 HN ARG 7 -7.481 9.317 -4.533 39 HA ARG 7 HA ARG 7 -5.123 10.150 -2.872 40 HB2 ARG 7 HB2 ARG 7 -8.029 9.562 -2.302 41 HB3 ARG 7 HB3 ARG 7 -6.832 9.471 -1.011 42 HG2 ARG 7 HG2 ARG 7 -6.247 11.873 -2.318 43 HG3 ARG 7 HG3 ARG 7 -8.009 11.823 -2.268 44 HD2 ARG 7 HD2 ARG 7 -6.790 10.965 0.264 45 HD3 ARG 7 HD3 ARG 7 -6.392 12.639 -0.170 46 HE ARG 7 HE ARG 7 -8.917 12.917 -0.565 47 HH11 ARG 7 HH11 ARG 7 -9.765 10.132 -0.013 48 HH12 ARG 7 HH12 ARG 7 -10.216 10.191 1.659 49 HH21 ARG 7 HH21 ARG 7 -8.553 13.181 2.276 50 HH22 ARG 7 HH22 ARG 7 -9.527 11.923 2.959 51 HA PRO 8 HA PRO 8 -4.073 5.862 -2.747 52 HB2 PRO 8 HB2 PRO 8 -2.521 5.832 -0.495 53 HB3 PRO 8 HB3 PRO 8 -1.983 6.539 -2.029 54 HG2 PRO 8 HG2 PRO 8 -2.969 7.876 0.424 55 HG3 PRO 8 HG3 PRO 8 -1.745 8.404 -0.739 56 HD2 PRO 8 HD2 PRO 8 -4.345 9.341 -0.635 57 HD3 PRO 8 HD3 PRO 8 -3.277 9.445 -2.051 58 H ARG 9 HN ARG 9 -6.660 6.041 -1.923 59 HA ARG 9 HA ARG 9 -6.724 4.430 0.617 60 HB2 ARG 9 HB2 ARG 9 -8.789 5.643 1.179 61 HB3 ARG 9 HB3 ARG 9 -7.465 6.777 0.929 62 HG2 ARG 9 HG2 ARG 9 -8.749 7.842 -0.582 63 HG3 ARG 9 HG3 ARG 9 -8.632 6.416 -1.612 64 HD2 ARG 9 HD2 ARG 9 -10.570 5.487 -0.085 65 HD3 ARG 9 HD3 ARG 9 -10.841 7.205 0.273 66 HE ARG 9 HE ARG 9 -11.127 7.594 -2.149 67 HH11 ARG 9 HH11 ARG 9 -13.175 5.492 -1.419 68 HH12 ARG 9 HH12 ARG 9 -12.943 4.325 -2.677 69 HH21 ARG 9 HH21 ARG 9 -9.848 5.589 -3.636 70 HH22 ARG 9 HH22 ARG 9 -11.052 4.380 -3.939 71 H TRP 10 HN TRP 10 -7.232 4.219 -2.660 72 HA TRP 10 HA TRP 10 -9.808 2.931 -2.866 73 HB2 TRP 10 HB2 TRP 10 -8.496 3.760 -4.798 74 HB3 TRP 10 HB3 TRP 10 -7.219 2.600 -4.434 75 HD1 TRP 10 HD1 TRP 10 -10.944 2.658 -5.455 76 HE1 TRP 10 HE1 TRP 10 -11.450 0.500 -6.773 77 HE3 TRP 10 HE3 TRP 10 -6.445 0.283 -5.023 78 HZ2 TRP 10 HZ2 TRP 10 -10.121 -1.913 -7.544 79 HZ3 TRP 10 HZ3 TRP 10 -6.091 -1.941 -6.057 80 HH2 TRP 10 HH2 TRP 10 -7.922 -3.040 -7.317 81 H PHE 11 HN PHE 11 -9.987 1.510 -1.050 82 HA PHE 11 HA PHE 11 -9.643 -0.468 0.198 83 HB2 PHE 11 HB2 PHE 11 -8.350 -1.216 -2.461 84 HB3 PHE 11 HB3 PHE 11 -8.674 -2.368 -1.166 85 HD1 PHE 11 HD1 PHE 11 -11.003 -2.923 -0.522 86 HD2 PHE 11 HD2 PHE 11 -10.138 -0.313 -3.821 87 HE1 PHE 11 HE1 PHE 11 -13.333 -3.174 -1.331 88 HE2 PHE 11 HE2 PHE 11 -12.466 -0.563 -4.631 89 HZ PHE 11 HZ PHE 11 -14.065 -1.993 -3.386 90 H TRP 12 HN TRP 12 -7.701 1.825 0.051 91 HA TRP 12 HA TRP 12 -5.509 2.430 0.643 92 HB2 TRP 12 HB2 TRP 12 -6.221 0.053 2.355 93 HB3 TRP 12 HB3 TRP 12 -4.766 1.004 2.630 94 HD1 TRP 12 HD1 TRP 12 -5.141 3.648 3.192 95 HE1 TRP 12 HE1 TRP 12 -7.101 4.828 4.383 96 HE3 TRP 12 HE3 TRP 12 -8.722 0.027 2.800 97 HZ2 TRP 12 HZ2 TRP 12 -9.828 4.306 5.074 98 HZ3 TRP 12 HZ3 TRP 12 -10.989 0.395 3.731 99 HH2 TRP 12 HH2 TRP 12 -11.545 2.528 4.866 100 H PHE 13 HN PHE 13 -5.692 0.841 -1.700 101 HA PHE 13 HA PHE 13 -3.656 -1.249 -1.675 102 HB2 PHE 13 HB2 PHE 13 -5.765 -0.993 -3.134 103 HB3 PHE 13 HB3 PHE 13 -4.858 0.226 -4.028 104 HD1 PHE 13 HD2 PHE 13 -5.018 -3.352 -3.109 105 HD2 PHE 13 HD1 PHE 13 -3.004 -0.380 -5.467 106 HE1 PHE 13 HE2 PHE 13 -3.889 -5.143 -4.402 107 HE2 PHE 13 HE1 PHE 13 -1.875 -2.170 -6.759 108 HZ PHE 13 HZ PHE 13 -2.317 -4.552 -6.227 109 H SER 14 HN SER 14 -3.917 2.047 -2.952 110 HA SER 14 HA SER 14 -1.247 2.259 -3.977 111 HB2 SER 14 HB2 SER 14 -3.345 3.726 -4.349 112 HB3 SER 14 HB3 SER 14 -2.909 4.507 -2.834 113 HG SER 14 HG SER 14 -0.889 5.013 -3.769 114 H LEU 15 HN LEU 15 -2.666 2.775 -0.811 115 HA LEU 15 HA LEU 15 -0.392 4.040 0.444 116 HB2 LEU 15 HB2 LEU 15 -2.841 3.962 1.181 117 HB3 LEU 15 HB3 LEU 15 -2.548 2.305 1.701 118 HG LEU 15 HG LEU 15 -2.321 4.220 3.454 119 HD11 LEU 15 HD11 LEU 15 -1.354 1.703 3.346 120 HD12 LEU 15 HD12 LEU 15 -1.053 2.783 4.707 121 HD13 LEU 15 HD13 LEU 15 0.165 2.591 3.447 122 HD21 LEU 15 HD21 LEU 15 0.478 4.382 2.340 123 HD22 LEU 15 HD22 LEU 15 -0.316 5.460 3.488 124 HD23 LEU 15 HD23 LEU 15 -0.775 5.492 1.786 125 H LEU 16 HN LEU 16 -1.506 0.654 0.179 126 HA LEU 16 HA LEU 16 0.519 -0.559 1.794 127 HB2 LEU 16 HB2 LEU 16 -1.702 -1.473 0.813 128 HB3 LEU 16 HB3 LEU 16 -0.772 -1.772 -0.654 129 HG LEU 16 HG LEU 16 0.612 -2.739 1.731 130 HD11 LEU 16 HD11 LEU 16 -1.712 -3.084 2.516 131 HD12 LEU 16 HD12 LEU 16 -0.913 -4.620 2.180 132 HD13 LEU 16 HD13 LEU 16 -2.077 -3.960 1.030 133 HD21 LEU 16 HD21 LEU 16 0.999 -3.256 -0.756 134 HD22 LEU 16 HD22 LEU 16 -0.424 -4.293 -0.650 135 HD23 LEU 16 HD23 LEU 16 0.994 -4.639 0.338 136 H LEU 17 HN LEU 17 0.379 0.189 -1.654 137 HA LEU 17 HA LEU 17 2.840 -1.014 -2.458 138 HB2 LEU 17 HB2 LEU 17 0.841 0.048 -3.779 139 HB3 LEU 17 HB3 LEU 17 1.752 1.548 -3.611 140 HG LEU 17 HG LEU 17 3.329 -0.792 -4.513 141 HD11 LEU 17 HD11 LEU 17 2.472 -0.857 -6.734 142 HD12 LEU 17 HD12 LEU 17 1.470 0.570 -6.469 143 HD13 LEU 17 HD13 LEU 17 1.054 -0.956 -5.690 144 HD21 LEU 17 HD21 LEU 17 3.094 1.937 -5.780 145 HD22 LEU 17 HD22 LEU 17 4.485 0.854 -5.753 146 HD23 LEU 17 HD23 LEU 17 4.004 1.706 -4.286 147 H LEU 18 HN LEU 18 2.087 2.080 -0.990 148 HA LEU 18 HA LEU 18 4.721 3.252 -1.287 149 HB2 LEU 18 HB2 LEU 18 2.400 4.342 -0.868 150 HB3 LEU 18 HB3 LEU 18 2.679 3.934 0.827 151 HG LEU 18 HG LEU 18 5.087 5.094 -0.053 152 HD11 LEU 18 HD11 LEU 18 4.361 7.261 -0.963 153 HD12 LEU 18 HD12 LEU 18 2.686 6.713 -0.958 154 HD13 LEU 18 HD13 LEU 18 3.861 5.948 -2.029 155 HD21 LEU 18 HD21 LEU 18 2.852 6.518 1.414 156 HD22 LEU 18 HD22 LEU 18 4.590 6.745 1.609 157 HD23 LEU 18 HD23 LEU 18 3.828 5.256 2.168 158 H ALA 19 HN ALA 19 3.110 1.304 1.168 159 HA ALA 19 HA ALA 19 4.987 1.595 3.305 160 HB1 ALA 19 HB1 ALA 19 3.878 -0.331 4.190 161 HB2 ALA 19 HB2 ALA 19 3.479 -0.930 2.579 162 HB3 ALA 19 HB3 ALA 19 2.657 0.493 3.220 163 H ALA 20 HN ALA 20 4.839 -0.769 0.620 164 HA ALA 20 HA ALA 20 7.235 -2.209 1.332 165 HB1 ALA 20 HB1 ALA 20 7.009 -3.018 -1.030 166 HB2 ALA 20 HB2 ALA 20 5.772 -1.791 -1.298 167 HB3 ALA 20 HB3 ALA 20 5.487 -3.094 -0.143 168 H GLY 21 HN GLY 21 6.606 0.663 -0.667 169 HA2 GLY 21 HA2 GLY 21 9.224 0.866 -1.836 170 HA3 GLY 21 HA3 GLY 21 8.067 2.190 -1.687 171 H VAL 22 HN VAL 22 7.798 2.181 1.158 172 HA VAL 22 HA VAL 22 9.975 3.843 1.968 173 HB VAL 22 HB VAL 22 7.930 2.222 3.529 174 HG11 VAL 22 HG11 VAL 22 8.431 4.131 5.250 175 HG12 VAL 22 HG12 VAL 22 9.964 4.269 4.388 176 HG13 VAL 22 HG13 VAL 22 9.524 2.749 5.168 177 HG21 VAL 22 HG21 VAL 22 7.670 5.141 3.410 178 HG22 VAL 22 HG22 VAL 22 6.466 3.894 3.084 179 HG23 VAL 22 HG23 VAL 22 7.590 4.385 1.818 180 H GLY 23 HN GLY 23 9.340 0.370 2.560 181 HA2 GLY 23 HA2 GLY 23 11.644 -0.100 4.207 182 HA3 GLY 23 HA3 GLY 23 10.760 -1.340 3.318 183 H ILE 24 HN ILE 24 11.099 -0.462 0.688 184 HA ILE 24 HA ILE 24 13.761 -1.397 0.071 185 HB ILE 24 HB ILE 24 11.521 -0.050 -1.474 186 HG12 ILE 24 HG12 ILE 24 12.660 -2.851 -1.689 187 HG13 ILE 24 HG13 ILE 24 11.331 -2.439 -0.606 188 HG21 ILE 24 HG21 ILE 24 12.811 -0.763 -3.534 189 HG22 ILE 24 HG22 ILE 24 14.204 -1.035 -2.487 190 HG23 ILE 24 HG23 ILE 24 13.528 0.586 -2.653 191 HD11 ILE 24 HD11 ILE 24 11.368 -2.164 -3.625 192 HD12 ILE 24 HD12 ILE 24 10.081 -1.535 -2.596 193 HD13 ILE 24 HD13 ILE 24 10.379 -3.272 -2.673 194 H TYR 25 HN TYR 25 12.322 1.866 0.347 195 HA TYR 25 HA TYR 25 14.535 3.331 -0.757 196 HB2 TYR 25 HB2 TYR 25 12.129 4.071 -0.148 197 HB3 TYR 25 HB3 TYR 25 12.750 4.276 1.492 198 HD1 TYR 25 HD1 TYR 25 12.983 5.452 -2.003 199 HD2 TYR 25 HD2 TYR 25 14.370 6.011 2.025 200 HE1 TYR 25 HE1 TYR 25 13.956 7.642 -2.642 201 HE2 TYR 25 HE2 TYR 25 15.341 8.202 1.385 202 HH TYR 25 HH TYR 25 14.575 9.952 -0.911 203 H LEU 26 HN LEU 26 13.999 1.816 2.366 204 HA LEU 26 HA LEU 26 16.208 3.186 3.724 205 HB2 LEU 26 HB2 LEU 26 14.088 1.220 4.273 206 HB3 LEU 26 HB3 LEU 26 15.602 0.830 5.085 207 HG LEU 26 HG LEU 26 14.216 2.258 6.521 208 HD11 LEU 26 HD11 LEU 26 16.810 2.529 6.238 209 HD12 LEU 26 HD12 LEU 26 15.911 3.729 7.167 210 HD13 LEU 26 HD13 LEU 26 16.382 4.075 5.504 211 HD21 LEU 26 HD21 LEU 26 12.912 3.404 4.804 212 HD22 LEU 26 HD22 LEU 26 14.362 4.203 4.196 213 HD23 LEU 26 HD23 LEU 26 13.740 4.602 5.797 214 H LEU 27 HN LEU 27 15.726 0.319 1.755 215 HA LEU 27 HA LEU 27 18.646 -0.323 1.985 216 HB2 LEU 27 HB2 LEU 27 16.801 -1.784 3.191 217 HB3 LEU 27 HB3 LEU 27 16.527 -2.417 1.568 218 HG LEU 27 HG LEU 27 19.200 -2.593 1.601 219 HD11 LEU 27 HD11 LEU 27 19.152 -1.583 3.965 220 HD12 LEU 27 HD12 LEU 27 20.103 -3.054 3.753 221 HD13 LEU 27 HD13 LEU 27 18.504 -3.136 4.492 222 HD21 LEU 27 HD21 LEU 27 17.371 -4.404 1.383 223 HD22 LEU 27 HD22 LEU 27 17.585 -4.649 3.115 224 HD23 LEU 27 HD23 LEU 27 18.935 -4.916 2.015 225 HA PRO 28 HA PRO 28 17.157 -0.226 -2.441 226 HB2 PRO 28 HB2 PRO 28 17.793 2.329 -3.198 227 HB3 PRO 28 HB3 PRO 28 16.225 1.878 -2.505 228 HG2 PRO 28 HG2 PRO 28 18.364 3.454 -1.328 229 HG3 PRO 28 HG3 PRO 28 16.690 3.265 -0.808 230 HD2 PRO 28 HD2 PRO 28 19.063 1.974 0.238 231 HD3 PRO 28 HD3 PRO 28 17.411 1.945 0.867 232 H ASN 29 HN ASN 29 20.087 0.845 -0.864 233 HA ASN 29 HA ASN 29 21.761 0.785 -3.262 234 HB2 ASN 29 HB2 ASN 29 23.535 1.270 -1.699 235 HB3 ASN 29 HB3 ASN 29 22.120 2.169 -1.165 236 HD21 ASN 29 HD21 ASN 29 21.062 1.473 0.834 237 HD22 ASN 29 HD22 ASN 29 21.793 0.354 1.879 238 H ARG 30 HN ARG 30 20.880 -1.497 -0.695 239 HA ARG 30 HA ARG 30 21.367 -3.782 -0.402 240 HB2 ARG 30 HB2 ARG 30 20.474 -3.217 -2.976 241 HB3 ARG 30 HB3 ARG 30 21.891 -4.225 -3.259 242 HG2 ARG 30 HG2 ARG 30 19.725 -4.972 -1.281 243 HG3 ARG 30 HG3 ARG 30 19.685 -5.477 -2.970 244 HD2 ARG 30 HD2 ARG 30 22.176 -5.981 -1.353 245 HD3 ARG 30 HD3 ARG 30 20.789 -7.075 -1.191 246 HE ARG 30 HE ARG 30 20.929 -6.991 -3.859 247 HH11 ARG 30 HH11 ARG 30 23.755 -5.744 -3.207 248 HH12 ARG 30 HH12 ARG 30 24.749 -7.130 -3.520 249 HH21 ARG 30 HH21 ARG 30 22.087 -9.369 -3.533 250 HH22 ARG 30 HH22 ARG 30 23.801 -9.190 -3.702 Start of MODEL 17 1 HA HIS 1 HA HIS 1 -16.856 -1.778 8.631 2 HB2 HIS 1 HB2 HIS 1 -18.885 -2.141 6.592 3 HB3 HIS 1 HB3 HIS 1 -18.524 -3.682 7.368 4 HD1 HIS 1 HD1 HIS 1 -19.985 -0.306 8.029 5 HD2 HIS 1 HD2 HIS 1 -19.100 -3.767 10.179 6 HE1 HIS 1 HE1 HIS 1 -21.147 -0.075 10.268 7 H SER 2 HN SER 2 -16.340 -4.051 9.258 8 HA SER 2 HA SER 2 -14.404 -5.301 7.340 9 HB2 SER 2 HB2 SER 2 -13.554 -6.301 9.564 10 HB3 SER 2 HB3 SER 2 -13.321 -4.573 9.330 11 HG SER 2 HG SER 2 -14.959 -5.944 11.088 12 H VAL 3 HN VAL 3 -17.077 -5.948 6.878 13 HA VAL 3 HA VAL 3 -17.293 -8.732 7.988 14 HB VAL 3 HB VAL 3 -19.773 -8.372 7.695 15 HG11 VAL 3 HG11 VAL 3 -18.364 -6.374 9.491 16 HG12 VAL 3 HG12 VAL 3 -18.645 -8.071 9.882 17 HG13 VAL 3 HG13 VAL 3 -20.011 -6.971 9.698 18 HG21 VAL 3 HG21 VAL 3 -20.664 -6.274 7.132 19 HG22 VAL 3 HG22 VAL 3 -19.287 -6.405 6.036 20 HG23 VAL 3 HG23 VAL 3 -19.161 -5.429 7.501 21 H SER 4 HN SER 4 -15.959 -7.787 5.484 22 HA SER 4 HA SER 4 -17.666 -9.202 3.470 23 HB2 SER 4 HB2 SER 4 -15.854 -6.804 3.338 24 HB3 SER 4 HB3 SER 4 -16.204 -7.730 1.883 25 HG SER 4 HG SER 4 -18.067 -6.484 3.633 26 H HIS 5 HN HIS 5 -14.248 -8.253 3.691 27 HA HIS 5 HA HIS 5 -13.482 -11.122 3.248 28 HB2 HIS 5 HB2 HIS 5 -12.484 -8.564 1.968 29 HB3 HIS 5 HB3 HIS 5 -11.606 -10.089 1.851 30 HD1 HIS 5 HD1 HIS 5 -14.389 -8.221 0.362 31 HD2 HIS 5 HD2 HIS 5 -13.197 -12.212 0.536 32 HE1 HIS 5 HE1 HIS 5 -15.688 -9.437 -1.442 33 H ALA 6 HN ALA 6 -13.511 -9.108 5.660 34 HA ALA 6 HA ALA 6 -12.143 -8.625 7.517 35 HB1 ALA 6 HB1 ALA 6 -10.612 -11.026 6.478 36 HB2 ALA 6 HB2 ALA 6 -12.153 -11.152 7.324 37 HB3 ALA 6 HB3 ALA 6 -10.743 -10.489 8.152 38 H ARG 7 HN ARG 7 -11.408 -7.333 4.927 39 HA ARG 7 HA ARG 7 -8.637 -6.573 5.661 40 HB2 ARG 7 HB2 ARG 7 -8.601 -8.531 4.056 41 HB3 ARG 7 HB3 ARG 7 -9.405 -7.499 2.874 42 HG2 ARG 7 HG2 ARG 7 -7.033 -7.404 2.427 43 HG3 ARG 7 HG3 ARG 7 -7.504 -5.858 3.133 44 HD2 ARG 7 HD2 ARG 7 -6.854 -6.981 5.415 45 HD3 ARG 7 HD3 ARG 7 -5.939 -8.105 4.392 46 HE ARG 7 HE ARG 7 -5.589 -5.178 3.953 47 HH11 ARG 7 HH11 ARG 7 -3.932 -7.484 2.754 48 HH12 ARG 7 HH12 ARG 7 -2.483 -7.356 3.692 49 HH21 ARG 7 HH21 ARG 7 -3.923 -5.332 6.122 50 HH22 ARG 7 HH22 ARG 7 -2.477 -6.130 5.606 51 HA PRO 8 HA PRO 8 -11.126 -2.963 4.373 52 HB2 PRO 8 HB2 PRO 8 -9.950 -1.218 6.124 53 HB3 PRO 8 HB3 PRO 8 -11.294 -2.285 6.579 54 HG2 PRO 8 HG2 PRO 8 -8.386 -2.567 7.121 55 HG3 PRO 8 HG3 PRO 8 -9.773 -2.990 8.137 56 HD2 PRO 8 HD2 PRO 8 -8.306 -4.805 6.692 57 HD3 PRO 8 HD3 PRO 8 -9.992 -5.054 7.196 58 H ARG 9 HN ARG 9 -9.968 -2.968 2.315 59 HA ARG 9 HA ARG 9 -7.416 -1.390 2.321 60 HB2 ARG 9 HB2 ARG 9 -8.166 -3.926 1.228 61 HB3 ARG 9 HB3 ARG 9 -7.873 -2.833 -0.123 62 HG2 ARG 9 HG2 ARG 9 -5.772 -2.225 1.537 63 HG3 ARG 9 HG3 ARG 9 -5.970 -3.954 1.829 64 HD2 ARG 9 HD2 ARG 9 -6.034 -4.225 -0.730 65 HD3 ARG 9 HD3 ARG 9 -5.427 -2.560 -0.803 66 HE ARG 9 HE ARG 9 -3.560 -3.410 0.758 67 HH11 ARG 9 HH21 ARG 9 -4.722 -6.225 0.841 68 HH12 ARG 9 HH22 ARG 9 -3.717 -7.043 -0.309 69 HH21 ARG 9 HH11 ARG 9 -2.495 -4.109 -1.719 70 HH22 ARG 9 HH12 ARG 9 -2.451 -5.840 -1.763 71 H TRP 10 HN TRP 10 -9.599 -2.162 -0.392 72 HA TRP 10 HA TRP 10 -10.558 -0.755 -2.017 73 HB2 TRP 10 HB2 TRP 10 -11.314 0.157 0.711 74 HB3 TRP 10 HB3 TRP 10 -11.715 1.254 -0.610 75 HD1 TRP 10 HD1 TRP 10 -12.448 -2.257 0.704 76 HE1 TRP 10 HE1 TRP 10 -14.564 -3.155 -0.464 77 HE3 TRP 10 HE3 TRP 10 -13.188 1.437 -2.743 78 HZ2 TRP 10 HZ2 TRP 10 -16.336 -2.404 -2.580 79 HZ3 TRP 10 HZ3 TRP 10 -15.096 1.321 -4.321 80 HH2 TRP 10 HH2 TRP 10 -16.670 -0.593 -4.243 81 H PHE 11 HN PHE 11 -10.018 2.076 0.000 82 HA PHE 11 HA PHE 11 -8.454 3.349 -2.138 83 HB2 PHE 11 HB2 PHE 11 -10.177 4.589 -0.969 84 HB3 PHE 11 HB3 PHE 11 -9.463 4.200 0.596 85 HD1 PHE 11 HD1 PHE 11 -8.949 6.099 -2.560 86 HD2 PHE 11 HD2 PHE 11 -7.618 5.448 1.473 87 HE1 PHE 11 HE1 PHE 11 -7.510 8.113 -2.709 88 HE2 PHE 11 HE2 PHE 11 -6.180 7.462 1.323 89 HZ PHE 11 HZ PHE 11 -6.126 8.795 -0.768 90 H TRP 12 HN TRP 12 -7.814 1.862 1.000 91 HA TRP 12 HA TRP 12 -5.215 3.043 1.442 92 HB2 TRP 12 HB2 TRP 12 -6.450 0.459 2.439 93 HB3 TRP 12 HB3 TRP 12 -5.044 1.252 3.144 94 HD1 TRP 12 HD1 TRP 12 -8.381 0.835 4.041 95 HE1 TRP 12 HE1 TRP 12 -9.394 2.862 5.266 96 HE3 TRP 12 HE3 TRP 12 -4.969 4.424 2.783 97 HZ2 TRP 12 HZ2 TRP 12 -8.834 5.640 5.659 98 HZ3 TRP 12 HZ3 TRP 12 -5.235 6.749 3.595 99 HH2 TRP 12 HH2 TRP 12 -7.161 7.361 5.030 100 H PHE 13 HN PHE 13 -6.124 0.946 -0.998 101 HA PHE 13 HA PHE 13 -4.047 -1.009 -1.044 102 HB2 PHE 13 HB2 PHE 13 -6.185 -0.812 -2.440 103 HB3 PHE 13 HB3 PHE 13 -5.317 0.363 -3.426 104 HD1 PHE 13 HD1 PHE 13 -3.182 -0.336 -4.594 105 HD2 PHE 13 HD2 PHE 13 -5.803 -3.149 -2.679 106 HE1 PHE 13 HE1 PHE 13 -2.125 -2.187 -5.864 107 HE2 PHE 13 HE2 PHE 13 -4.746 -5.000 -3.948 108 HZ PHE 13 HZ PHE 13 -2.907 -4.518 -5.540 109 H SER 14 HN SER 14 -4.173 2.297 -2.301 110 HA SER 14 HA SER 14 -1.604 2.292 -3.593 111 HB2 SER 14 HB2 SER 14 -1.910 4.772 -3.460 112 HB3 SER 14 HB3 SER 14 -3.353 3.950 -4.044 113 HG SER 14 HG SER 14 -4.334 4.838 -2.418 114 H LEU 15 HN LEU 15 -2.671 2.998 -0.324 115 HA LEU 15 HA LEU 15 -0.205 4.029 0.737 116 HB2 LEU 15 HB2 LEU 15 -2.496 4.208 1.737 117 HB3 LEU 15 HB3 LEU 15 -2.455 2.480 2.074 118 HG LEU 15 HG LEU 15 -0.066 3.836 3.061 119 HD11 LEU 15 HD11 LEU 15 -2.799 4.780 3.946 120 HD12 LEU 15 HD12 LEU 15 -1.414 5.757 3.458 121 HD13 LEU 15 HD13 LEU 15 -1.385 4.893 4.995 122 HD21 LEU 15 HD21 LEU 15 -0.770 1.565 3.708 123 HD22 LEU 15 HD22 LEU 15 -2.269 2.212 4.378 124 HD23 LEU 15 HD23 LEU 15 -0.721 2.619 5.123 125 H LEU 16 HN LEU 16 -1.580 0.732 0.552 126 HA LEU 16 HA LEU 16 0.549 -0.593 1.964 127 HB2 LEU 16 HB2 LEU 16 -1.882 -1.323 1.276 128 HB3 LEU 16 HB3 LEU 16 -1.105 -1.853 -0.216 129 HG LEU 16 HG LEU 16 0.349 -2.678 2.201 130 HD11 LEU 16 HD11 LEU 16 -2.004 -4.397 1.822 131 HD12 LEU 16 HD12 LEU 16 -2.397 -2.805 2.475 132 HD13 LEU 16 HD13 LEU 16 -1.244 -3.843 3.314 133 HD21 LEU 16 HD21 LEU 16 0.906 -3.555 0.010 134 HD22 LEU 16 HD22 LEU 16 -0.757 -4.080 -0.251 135 HD23 LEU 16 HD23 LEU 16 0.237 -4.873 0.971 136 H LEU 17 HN LEU 17 0.039 0.249 -1.409 137 HA LEU 17 HA LEU 17 2.262 -1.220 -2.512 138 HB2 LEU 17 HB2 LEU 17 0.155 -0.012 -3.566 139 HB3 LEU 17 HB3 LEU 17 1.240 1.377 -3.628 140 HG LEU 17 HG LEU 17 2.920 -0.321 -4.715 141 HD11 LEU 17 HD11 LEU 17 1.676 -2.024 -6.087 142 HD12 LEU 17 HD12 LEU 17 0.227 -1.646 -5.155 143 HD13 LEU 17 HD13 LEU 17 1.634 -2.346 -4.354 144 HD21 LEU 17 HD21 LEU 17 2.079 0.291 -6.920 145 HD22 LEU 17 HD22 LEU 17 1.832 1.649 -5.823 146 HD23 LEU 17 HD23 LEU 17 0.476 0.609 -6.257 147 H LEU 18 HN LEU 18 1.879 1.935 -1.045 148 HA LEU 18 HA LEU 18 4.501 2.973 -1.711 149 HB2 LEU 18 HB2 LEU 18 2.210 4.067 -0.901 150 HB3 LEU 18 HB3 LEU 18 2.929 3.836 0.692 151 HG LEU 18 HG LEU 18 4.725 5.012 -1.353 152 HD11 LEU 18 HD11 LEU 18 3.028 6.416 -2.045 153 HD12 LEU 18 HD12 LEU 18 3.558 7.301 -0.613 154 HD13 LEU 18 HD13 LEU 18 2.137 6.259 -0.531 155 HD21 LEU 18 HD21 LEU 18 5.502 4.794 0.917 156 HD22 LEU 18 HD22 LEU 18 4.038 5.546 1.551 157 HD23 LEU 18 HD23 LEU 18 5.203 6.509 0.643 158 H ALA 19 HN ALA 19 3.169 1.049 0.907 159 HA ALA 19 HA ALA 19 5.260 1.300 2.836 160 HB1 ALA 19 HB1 ALA 19 3.608 -1.165 2.205 161 HB2 ALA 19 HB2 ALA 19 2.952 0.241 3.044 162 HB3 ALA 19 HB3 ALA 19 4.262 -0.688 3.773 163 H ALA 20 HN ALA 20 4.869 -0.938 0.075 164 HA ALA 20 HA ALA 20 7.231 -2.511 0.558 165 HB1 ALA 20 HB1 ALA 20 5.432 -3.250 -0.900 166 HB2 ALA 20 HB2 ALA 20 6.885 -3.075 -1.884 167 HB3 ALA 20 HB3 ALA 20 5.633 -1.835 -1.934 168 H GLY 21 HN GLY 21 6.643 0.478 -1.294 169 HA2 GLY 21 HA2 GLY 21 9.254 0.663 -2.478 170 HA3 GLY 21 HA3 GLY 21 8.133 2.008 -2.267 171 H VAL 22 HN VAL 22 7.884 1.909 0.574 172 HA VAL 22 HA VAL 22 10.161 3.441 1.410 173 HB VAL 22 HB VAL 22 7.978 1.969 2.927 174 HG11 VAL 22 HG11 VAL 22 9.584 2.334 4.595 175 HG12 VAL 22 HG12 VAL 22 8.622 3.809 4.681 176 HG13 VAL 22 HG13 VAL 22 10.172 3.816 3.842 177 HG21 VAL 22 HG21 VAL 22 6.707 3.881 2.706 178 HG22 VAL 22 HG22 VAL 22 7.655 4.027 1.227 179 HG23 VAL 22 HG23 VAL 22 8.117 4.939 2.664 180 H GLY 23 HN GLY 23 9.320 -0.006 1.823 181 HA2 GLY 23 HA2 GLY 23 11.413 -0.722 3.618 182 HA3 GLY 23 HA3 GLY 23 10.643 -1.831 2.480 183 H ILE 24 HN ILE 24 11.327 -0.759 0.036 184 HA ILE 24 HA ILE 24 14.111 -1.561 -0.241 185 HB ILE 24 HB ILE 24 12.076 -0.260 -2.093 186 HG12 ILE 24 HG12 ILE 24 11.462 -2.517 -1.369 187 HG13 ILE 24 HG13 ILE 24 11.967 -2.561 -3.057 188 HG21 ILE 24 HG21 ILE 24 13.609 -1.041 -3.926 189 HG22 ILE 24 HG22 ILE 24 14.820 -1.400 -2.695 190 HG23 ILE 24 HG23 ILE 24 14.284 0.261 -2.946 191 HD11 ILE 24 HD11 ILE 24 13.443 -3.536 -0.620 192 HD12 ILE 24 HD12 ILE 24 14.332 -3.098 -2.078 193 HD13 ILE 24 HD13 ILE 24 13.125 -4.382 -2.135 194 H TYR 25 HN TYR 25 12.396 1.574 -0.140 195 HA TYR 25 HA TYR 25 14.635 3.217 -0.903 196 HB2 TYR 25 HB2 TYR 25 12.134 3.786 -0.730 197 HB3 TYR 25 HB3 TYR 25 12.408 3.969 1.005 198 HD1 TYR 25 HD1 TYR 25 13.230 5.292 -2.346 199 HD2 TYR 25 HD2 TYR 25 13.740 5.800 1.889 200 HE1 TYR 25 HE1 TYR 25 14.140 7.567 -2.729 201 HE2 TYR 25 HE2 TYR 25 14.647 8.075 1.507 202 HH TYR 25 HH TYR 25 14.225 9.853 -0.842 203 H LEU 26 HN LEU 26 13.719 1.647 2.108 204 HA LEU 26 HA LEU 26 15.570 3.186 3.784 205 HB2 LEU 26 HB2 LEU 26 13.697 0.862 4.030 206 HB3 LEU 26 HB3 LEU 26 14.972 1.004 5.237 207 HG LEU 26 HG LEU 26 13.157 3.317 4.521 208 HD11 LEU 26 HD11 LEU 26 12.844 1.251 6.722 209 HD12 LEU 26 HD12 LEU 26 11.752 1.495 5.358 210 HD13 LEU 26 HD13 LEU 26 11.906 2.741 6.598 211 HD21 LEU 26 HD21 LEU 26 13.910 4.119 6.758 212 HD22 LEU 26 HD22 LEU 26 15.260 3.897 5.644 213 HD23 LEU 26 HD23 LEU 26 14.944 2.696 6.897 214 H LEU 27 HN LEU 27 15.706 0.401 1.692 215 HA LEU 27 HA LEU 27 18.557 -0.067 2.483 216 HB2 LEU 27 HB2 LEU 27 16.663 -1.685 3.336 217 HB3 LEU 27 HB3 LEU 27 16.684 -2.286 1.678 218 HG LEU 27 HG LEU 27 19.318 -2.323 2.105 219 HD11 LEU 27 HD11 LEU 27 19.042 -1.331 4.391 220 HD12 LEU 27 HD12 LEU 27 19.866 -2.890 4.405 221 HD13 LEU 27 HD13 LEU 27 18.169 -2.786 4.874 222 HD21 LEU 27 HD21 LEU 27 17.847 -4.262 1.543 223 HD22 LEU 27 HD22 LEU 27 17.447 -4.421 3.253 224 HD23 LEU 27 HD23 LEU 27 19.103 -4.685 2.707 225 HA PRO 28 HA PRO 28 17.873 -0.023 -2.143 226 HB2 PRO 28 HB2 PRO 28 18.363 2.596 -2.787 227 HB3 PRO 28 HB3 PRO 28 16.753 1.971 -2.387 228 HG2 PRO 28 HG2 PRO 28 18.464 3.750 -0.851 229 HG3 PRO 28 HG3 PRO 28 16.754 3.377 -0.641 230 HD2 PRO 28 HD2 PRO 28 19.022 2.330 0.826 231 HD3 PRO 28 HD3 PRO 28 17.296 2.116 1.143 232 H ASN 29 HN ASN 29 20.350 1.470 -0.129 233 HA ASN 29 HA ASN 29 22.411 1.262 -2.254 234 HB2 ASN 29 HB2 ASN 29 22.146 2.438 0.493 235 HB3 ASN 29 HB3 ASN 29 23.764 2.100 -0.121 236 HD21 ASN 29 HD21 ASN 29 24.645 3.603 -1.597 237 HD22 ASN 29 HD22 ASN 29 23.764 4.872 -2.299 238 H ARG 30 HN ARG 30 21.146 -0.658 0.334 239 HA ARG 30 HA ARG 30 21.809 -2.723 1.241 240 HB2 ARG 30 HB2 ARG 30 22.442 -2.618 -1.504 241 HB3 ARG 30 HB3 ARG 30 23.863 -3.320 -0.732 242 HG2 ARG 30 HG2 ARG 30 22.414 -5.156 -1.227 243 HG3 ARG 30 HG3 ARG 30 22.262 -4.873 0.508 244 HD2 ARG 30 HD2 ARG 30 20.241 -3.394 -0.043 245 HD3 ARG 30 HD3 ARG 30 20.317 -4.079 -1.678 246 HE ARG 30 HE ARG 30 19.991 -5.740 0.797 247 HH11 ARG 30 HH21 ARG 30 17.742 -4.993 -1.202 248 HH12 ARG 30 HH22 ARG 30 17.627 -6.467 -2.105 249 HH21 ARG 30 HH11 ARG 30 20.664 -7.714 -0.956 250 HH22 ARG 30 HH12 ARG 30 19.288 -8.015 -1.964 Start of MODEL 18 1 HA HIS 1 HA HIS 1 -12.894 -18.589 7.502 2 HB2 HIS 1 HB2 HIS 1 -14.275 -20.313 6.424 3 HB3 HIS 1 HB3 HIS 1 -13.791 -20.856 8.028 4 HD1 HIS 1 HD1 HIS 1 -16.783 -19.544 6.124 5 HD2 HIS 1 HD2 HIS 1 -15.918 -21.201 9.854 6 HE1 HIS 1 HE1 HIS 1 -19.010 -20.044 7.224 7 H SER 2 HN SER 2 -13.954 -17.972 5.379 8 HA SER 2 HA SER 2 -15.127 -16.374 4.098 9 HB2 SER 2 HB2 SER 2 -17.301 -16.969 6.129 10 HB3 SER 2 HB3 SER 2 -17.521 -16.449 4.461 11 HG SER 2 HG SER 2 -17.433 -18.475 3.942 12 H VAL 3 HN VAL 3 -13.453 -15.188 6.053 13 HA VAL 3 HA VAL 3 -15.115 -12.875 7.009 14 HB VAL 3 HB VAL 3 -14.009 -14.517 8.652 15 HG11 VAL 3 HG11 VAL 3 -11.656 -14.329 9.044 16 HG12 VAL 3 HG12 VAL 3 -11.514 -12.960 7.944 17 HG13 VAL 3 HG13 VAL 3 -11.844 -14.571 7.308 18 HG21 VAL 3 HG21 VAL 3 -12.825 -12.119 9.608 19 HG22 VAL 3 HG22 VAL 3 -14.410 -12.775 10.019 20 HG23 VAL 3 HG23 VAL 3 -14.244 -11.648 8.673 21 H SER 4 HN SER 4 -13.545 -13.373 4.389 22 HA SER 4 HA SER 4 -11.549 -11.164 4.573 23 HB2 SER 4 HB2 SER 4 -11.291 -13.626 3.581 24 HB3 SER 4 HB3 SER 4 -11.967 -12.857 2.149 25 HG SER 4 HG SER 4 -9.533 -12.847 2.634 26 H HIS 5 HN HIS 5 -14.720 -11.806 3.436 27 HA HIS 5 HA HIS 5 -14.623 -9.607 1.423 28 HB2 HIS 5 HB2 HIS 5 -16.401 -11.939 2.062 29 HB3 HIS 5 HB3 HIS 5 -17.073 -10.583 1.158 30 HD1 HIS 5 HD1 HIS 5 -14.054 -12.914 0.994 31 HD2 HIS 5 HD2 HIS 5 -16.489 -10.678 -1.546 32 HE1 HIS 5 HE1 HIS 5 -13.302 -13.441 -1.365 33 H ALA 6 HN ALA 6 -14.429 -8.826 4.192 34 HA ALA 6 HA ALA 6 -17.065 -7.429 4.546 35 HB1 ALA 6 HB1 ALA 6 -15.196 -8.510 6.681 36 HB2 ALA 6 HB2 ALA 6 -16.667 -9.315 6.135 37 HB3 ALA 6 HB3 ALA 6 -16.767 -7.758 6.957 38 H ARG 7 HN ARG 7 -14.281 -6.656 3.369 39 HA ARG 7 HA ARG 7 -14.070 -4.075 4.845 40 HB2 ARG 7 HB2 ARG 7 -12.216 -6.310 4.905 41 HB3 ARG 7 HB3 ARG 7 -11.435 -4.882 4.231 42 HG2 ARG 7 HG2 ARG 7 -11.091 -4.375 6.435 43 HG3 ARG 7 HG3 ARG 7 -12.732 -3.742 6.316 44 HD2 ARG 7 HD2 ARG 7 -12.732 -5.165 8.251 45 HD3 ARG 7 HD3 ARG 7 -13.515 -6.117 6.977 46 HE ARG 7 HE ARG 7 -10.595 -6.433 7.105 47 HH11 ARG 7 HH21 ARG 7 -12.618 -8.465 6.097 48 HH12 ARG 7 HH22 ARG 7 -12.563 -9.656 7.354 49 HH21 ARG 7 HH11 ARG 7 -10.983 -7.548 9.630 50 HH22 ARG 7 HH12 ARG 7 -11.635 -9.132 9.367 51 HA PRO 8 HA PRO 8 -13.732 -2.570 0.720 52 HB2 PRO 8 HB2 PRO 8 -12.526 -0.153 1.194 53 HB3 PRO 8 HB3 PRO 8 -14.233 -0.480 1.548 54 HG2 PRO 8 HG2 PRO 8 -11.906 -0.376 3.388 55 HG3 PRO 8 HG3 PRO 8 -13.581 0.127 3.652 56 HD2 PRO 8 HD2 PRO 8 -12.501 -2.214 4.598 57 HD3 PRO 8 HD3 PRO 8 -14.234 -1.953 4.310 58 H ARG 9 HN ARG 9 -10.734 -1.496 2.402 59 HA ARG 9 HA ARG 9 -8.468 -1.710 1.799 60 HB2 ARG 9 HB2 ARG 9 -9.851 -4.259 1.132 61 HB3 ARG 9 HB3 ARG 9 -8.235 -4.051 0.458 62 HG2 ARG 9 HG2 ARG 9 -7.242 -3.836 2.586 63 HG3 ARG 9 HG3 ARG 9 -8.782 -3.479 3.366 64 HD2 ARG 9 HD2 ARG 9 -8.366 -5.738 3.969 65 HD3 ARG 9 HD3 ARG 9 -9.468 -5.883 2.586 66 HE ARG 9 HE ARG 9 -7.671 -6.754 1.316 67 HH11 ARG 9 HH21 ARG 9 -6.505 -7.457 4.088 68 HH12 ARG 9 HH22 ARG 9 -4.878 -6.893 3.898 69 HH21 ARG 9 HH11 ARG 9 -5.590 -4.998 1.070 70 HH22 ARG 9 HH12 ARG 9 -4.358 -5.494 2.183 71 H TRP 10 HN TRP 10 -10.513 -0.525 -0.251 72 HA TRP 10 HA TRP 10 -8.995 -1.028 -2.768 73 HB2 TRP 10 HB2 TRP 10 -10.930 -0.153 -3.872 74 HB3 TRP 10 HB3 TRP 10 -11.550 -1.157 -2.567 75 HD1 TRP 10 HD1 TRP 10 -12.924 -0.009 -0.686 76 HE1 TRP 10 HE1 TRP 10 -13.801 2.388 -0.324 77 HE3 TRP 10 HE3 TRP 10 -10.306 2.446 -4.319 78 HZ2 TRP 10 HZ2 TRP 10 -13.442 5.001 -1.432 79 HZ3 TRP 10 HZ3 TRP 10 -10.594 4.885 -4.645 80 HH2 TRP 10 HH2 TRP 10 -12.157 6.165 -3.207 81 H PHE 11 HN PHE 11 -9.794 1.511 -0.434 82 HA PHE 11 HA PHE 11 -8.421 3.614 -1.978 83 HB2 PHE 11 HB2 PHE 11 -10.471 3.959 -0.570 84 HB3 PHE 11 HB3 PHE 11 -9.516 3.558 0.856 85 HD1 PHE 11 HD2 PHE 11 -9.958 6.008 -1.891 86 HD2 PHE 11 HD1 PHE 11 -7.936 5.117 1.793 87 HE1 PHE 11 HE2 PHE 11 -9.163 8.353 -1.760 88 HE2 PHE 11 HE1 PHE 11 -7.142 7.461 1.924 89 HZ PHE 11 HZ PHE 11 -7.755 9.079 0.148 90 H TRP 12 HN TRP 12 -7.545 1.154 0.283 91 HA TRP 12 HA TRP 12 -5.102 2.633 1.143 92 HB2 TRP 12 HB2 TRP 12 -6.482 0.110 2.106 93 HB3 TRP 12 HB3 TRP 12 -5.008 0.760 2.818 94 HD1 TRP 12 HD1 TRP 12 -8.448 0.704 3.591 95 HE1 TRP 12 HE1 TRP 12 -9.240 2.799 4.864 96 HE3 TRP 12 HE3 TRP 12 -4.531 3.845 2.650 97 HZ2 TRP 12 HZ2 TRP 12 -8.334 5.457 5.413 98 HZ3 TRP 12 HZ3 TRP 12 -4.522 6.150 3.559 99 HH2 TRP 12 HH2 TRP 12 -6.417 6.959 4.938 100 H PHE 13 HN PHE 13 -5.866 0.769 -1.432 101 HA PHE 13 HA PHE 13 -3.835 -1.291 -1.390 102 HB2 PHE 13 HB2 PHE 13 -5.822 -1.357 -2.842 103 HB3 PHE 13 HB3 PHE 13 -5.293 0.119 -3.651 104 HD1 PHE 13 HD1 PHE 13 -4.651 -3.486 -3.204 105 HD2 PHE 13 HD2 PHE 13 -3.423 0.105 -5.220 106 HE1 PHE 13 HE1 PHE 13 -3.277 -4.833 -4.769 107 HE2 PHE 13 HE2 PHE 13 -2.052 -1.244 -6.785 108 HZ PHE 13 HZ PHE 13 -1.978 -3.712 -6.558 109 H SER 14 HN SER 14 -3.993 1.921 -2.895 110 HA SER 14 HA SER 14 -1.322 1.943 -3.942 111 HB2 SER 14 HB2 SER 14 -1.760 4.471 -3.885 112 HB3 SER 14 HB3 SER 14 -2.945 3.508 -4.761 113 HG SER 14 HG SER 14 -3.983 4.939 -3.350 114 H LEU 15 HN LEU 15 -2.705 2.764 -0.830 115 HA LEU 15 HA LEU 15 -0.420 4.039 0.363 116 HB2 LEU 15 HB2 LEU 15 -3.053 3.457 1.019 117 HB3 LEU 15 HB3 LEU 15 -2.151 2.401 2.106 118 HG LEU 15 HG LEU 15 -2.525 4.550 3.195 119 HD11 LEU 15 HD11 LEU 15 -0.268 3.301 3.351 120 HD12 LEU 15 HD12 LEU 15 -0.303 4.982 3.883 121 HD13 LEU 15 HD13 LEU 15 0.358 4.571 2.300 122 HD21 LEU 15 HD21 LEU 15 -0.947 5.839 0.957 123 HD22 LEU 15 HD22 LEU 15 -1.841 6.637 2.250 124 HD23 LEU 15 HD23 LEU 15 -2.709 5.795 0.967 125 H LEU 16 HN LEU 16 -1.531 0.645 0.250 126 HA LEU 16 HA LEU 16 0.541 -0.485 1.872 127 HB2 LEU 16 HB2 LEU 16 -1.721 -1.431 1.005 128 HB3 LEU 16 HB3 LEU 16 -0.827 -1.837 -0.459 129 HG LEU 16 HG LEU 16 0.413 -2.638 2.131 130 HD11 LEU 16 HD11 LEU 16 -2.073 -3.177 2.298 131 HD12 LEU 16 HD12 LEU 16 -0.985 -4.559 2.427 132 HD13 LEU 16 HD13 LEU 16 -1.842 -4.252 0.918 133 HD21 LEU 16 HD21 LEU 16 1.611 -3.944 0.731 134 HD22 LEU 16 HD22 LEU 16 0.802 -3.131 -0.608 135 HD23 LEU 16 HD23 LEU 16 0.147 -4.637 0.035 136 H LEU 17 HN LEU 17 0.284 0.093 -1.602 137 HA LEU 17 HA LEU 17 2.738 -1.139 -2.411 138 HB2 LEU 17 HB2 LEU 17 0.659 -0.156 -3.710 139 HB3 LEU 17 HB3 LEU 17 1.610 1.330 -3.705 140 HG LEU 17 HG LEU 17 3.105 -1.103 -4.483 141 HD11 LEU 17 HD11 LEU 17 1.067 0.096 -6.381 142 HD12 LEU 17 HD12 LEU 17 0.832 -1.433 -5.532 143 HD13 LEU 17 HD13 LEU 17 2.146 -1.264 -6.695 144 HD21 LEU 17 HD21 LEU 17 2.845 1.449 -6.053 145 HD22 LEU 17 HD22 LEU 17 4.255 0.411 -5.842 146 HD23 LEU 17 HD23 LEU 17 3.727 1.460 -4.526 147 H LEU 18 HN LEU 18 1.942 2.066 -1.213 148 HA LEU 18 HA LEU 18 4.531 3.278 -1.613 149 HB2 LEU 18 HB2 LEU 18 2.066 4.177 -1.056 150 HB3 LEU 18 HB3 LEU 18 2.695 4.118 0.591 151 HG LEU 18 HG LEU 18 4.369 5.386 -1.552 152 HD11 LEU 18 HD11 LEU 18 2.028 6.322 -1.728 153 HD12 LEU 18 HD12 LEU 18 3.254 7.509 -1.281 154 HD13 LEU 18 HD13 LEU 18 2.179 6.847 -0.050 155 HD21 LEU 18 HD21 LEU 18 4.744 6.903 0.568 156 HD22 LEU 18 HD22 LEU 18 5.502 5.312 0.492 157 HD23 LEU 18 HD23 LEU 18 4.027 5.543 1.432 158 H ALA 19 HN ALA 19 3.021 1.497 1.036 159 HA ALA 19 HA ALA 19 5.025 1.933 3.046 160 HB1 ALA 19 HB1 ALA 19 3.372 -0.573 2.653 161 HB2 ALA 19 HB2 ALA 19 2.650 0.941 3.197 162 HB3 ALA 19 HB3 ALA 19 3.891 0.154 4.173 163 H ALA 20 HN ALA 20 4.669 -0.563 0.519 164 HA ALA 20 HA ALA 20 6.933 -2.173 1.251 165 HB1 ALA 20 HB1 ALA 20 6.706 -2.608 -1.379 166 HB2 ALA 20 HB2 ALA 20 5.210 -1.699 -1.156 167 HB3 ALA 20 HB3 ALA 20 5.481 -3.191 -0.253 168 H GLY 21 HN GLY 21 6.583 0.669 -0.877 169 HA2 GLY 21 HA2 GLY 21 9.271 0.666 -1.891 170 HA3 GLY 21 HA3 GLY 21 8.191 2.061 -1.870 171 H VAL 22 HN VAL 22 7.770 2.107 0.996 172 HA VAL 22 HA VAL 22 9.972 3.724 1.855 173 HB VAL 22 HB VAL 22 7.804 2.223 3.375 174 HG11 VAL 22 HG11 VAL 22 9.608 2.825 4.909 175 HG12 VAL 22 HG12 VAL 22 8.236 3.901 5.174 176 HG13 VAL 22 HG13 VAL 22 9.640 4.469 4.269 177 HG21 VAL 22 HG21 VAL 22 7.622 5.136 3.154 178 HG22 VAL 22 HG22 VAL 22 6.411 3.907 2.783 179 HG23 VAL 22 HG23 VAL 22 7.620 4.346 1.577 180 H GLY 23 HN GLY 23 9.180 0.289 2.453 181 HA2 GLY 23 HA2 GLY 23 11.359 -0.245 4.244 182 HA3 GLY 23 HA3 GLY 23 10.491 -1.463 3.306 183 H ILE 24 HN ILE 24 11.018 -0.628 0.701 184 HA ILE 24 HA ILE 24 13.703 -1.629 0.267 185 HB ILE 24 HB ILE 24 11.718 -0.179 -1.534 186 HG12 ILE 24 HG12 ILE 24 12.292 -3.135 -1.558 187 HG13 ILE 24 HG13 ILE 24 11.178 -2.477 -0.359 188 HG21 ILE 24 HG21 ILE 24 13.892 -0.062 -2.566 189 HG22 ILE 24 HG22 ILE 24 13.017 -1.372 -3.360 190 HG23 ILE 24 HG23 ILE 24 14.244 -1.740 -2.148 191 HD11 ILE 24 HD11 ILE 24 10.904 -2.587 -3.340 192 HD12 ILE 24 HD12 ILE 24 10.142 -1.254 -2.471 193 HD13 ILE 24 HD13 ILE 24 9.702 -2.920 -2.092 194 H TYR 25 HN TYR 25 12.289 1.638 0.435 195 HA TYR 25 HA TYR 25 14.486 3.113 -0.648 196 HB2 TYR 25 HB2 TYR 25 12.148 3.915 -0.081 197 HB3 TYR 25 HB3 TYR 25 12.634 3.923 1.616 198 HD1 TYR 25 HD1 TYR 25 13.224 5.447 -1.706 199 HD2 TYR 25 HD2 TYR 25 14.167 5.581 2.483 200 HE1 TYR 25 HE1 TYR 25 14.283 7.668 -2.015 201 HE2 TYR 25 HE2 TYR 25 15.223 7.803 2.174 202 HH TYR 25 HH TYR 25 16.336 8.971 -0.330 203 H LEU 26 HN LEU 26 14.071 1.478 2.422 204 HA LEU 26 HA LEU 26 16.258 2.890 3.783 205 HB2 LEU 26 HB2 LEU 26 14.578 0.424 4.337 206 HB3 LEU 26 HB3 LEU 26 15.828 0.991 5.443 207 HG LEU 26 HG LEU 26 13.791 2.965 4.483 208 HD11 LEU 26 HD11 LEU 26 13.230 1.209 6.869 209 HD12 LEU 26 HD12 LEU 26 12.669 0.752 5.261 210 HD13 LEU 26 HD13 LEU 26 12.122 2.262 5.988 211 HD21 LEU 26 HD21 LEU 26 15.088 2.508 7.189 212 HD22 LEU 26 HD22 LEU 26 14.205 3.942 6.664 213 HD23 LEU 26 HD23 LEU 26 15.764 3.553 5.938 214 H LEU 27 HN LEU 27 15.948 0.237 1.558 215 HA LEU 27 HA LEU 27 18.844 -0.421 1.934 216 HB2 LEU 27 HB2 LEU 27 17.074 -1.996 3.004 217 HB3 LEU 27 HB3 LEU 27 16.708 -2.476 1.346 218 HG LEU 27 HG LEU 27 19.402 -2.671 1.270 219 HD11 LEU 27 HD11 LEU 27 19.539 -1.988 3.685 220 HD12 LEU 27 HD12 LEU 27 20.256 -3.565 3.357 221 HD13 LEU 27 HD13 LEU 27 18.662 -3.460 4.103 222 HD21 LEU 27 HD21 LEU 27 19.104 -5.068 1.544 223 HD22 LEU 27 HD22 LEU 27 17.678 -4.422 0.733 224 HD23 LEU 27 HD23 LEU 27 17.611 -4.818 2.450 225 HA PRO 28 HA PRO 28 17.543 -0.143 -2.562 226 HB2 PRO 28 HB2 PRO 28 17.926 2.500 -3.158 227 HB3 PRO 28 HB3 PRO 28 16.389 1.851 -2.561 228 HG2 PRO 28 HG2 PRO 28 18.307 3.571 -1.209 229 HG3 PRO 28 HG3 PRO 28 16.634 3.198 -0.785 230 HD2 PRO 28 HD2 PRO 28 19.068 2.094 0.327 231 HD3 PRO 28 HD3 PRO 28 17.398 1.863 0.858 232 H ASN 29 HN ASN 29 20.256 1.183 -0.786 233 HA ASN 29 HA ASN 29 22.024 1.273 -3.158 234 HB2 ASN 29 HB2 ASN 29 21.959 2.901 -1.166 235 HB3 ASN 29 HB3 ASN 29 22.732 1.618 -0.234 236 HD21 ASN 29 HD21 ASN 29 24.913 0.885 -0.986 237 HD22 ASN 29 HD22 ASN 29 25.874 1.931 -1.915 238 H ARG 30 HN ARG 30 21.562 -0.695 -0.216 239 HA ARG 30 HA ARG 30 23.805 -2.484 -0.959 240 HB2 ARG 30 HB2 ARG 30 23.275 -1.650 1.384 241 HB3 ARG 30 HB3 ARG 30 21.828 -2.656 1.335 242 HG2 ARG 30 HG2 ARG 30 23.366 -4.089 2.354 243 HG3 ARG 30 HG3 ARG 30 23.500 -4.562 0.660 244 HD2 ARG 30 HD2 ARG 30 25.410 -2.856 0.476 245 HD3 ARG 30 HD3 ARG 30 25.384 -2.801 2.251 246 HE ARG 30 HE ARG 30 25.988 -5.228 0.622 247 HH11 ARG 30 HH11 ARG 30 24.628 -5.996 3.135 248 HH12 ARG 30 HH12 ARG 30 25.940 -6.144 4.256 249 HH21 ARG 30 HH21 ARG 30 28.172 -4.358 2.277 250 HH22 ARG 30 HH22 ARG 30 27.956 -5.212 3.769 Start of MODEL 19 1 HA HIS 1 HA HIS 1 -21.622 12.130 -1.258 2 HB2 HIS 1 HB2 HIS 1 -22.387 14.943 -1.984 3 HB3 HIS 1 HB3 HIS 1 -22.472 13.697 -3.229 4 HD1 HIS 1 HD1 HIS 1 -24.347 15.079 -0.431 5 HD2 HIS 1 HD2 HIS 1 -24.150 11.380 -2.344 6 HE1 HIS 1 HE1 HIS 1 -26.427 13.807 0.253 7 H SER 2 HN SER 2 -20.289 11.171 -2.760 8 HA SER 2 HA SER 2 -18.413 10.830 -4.152 9 HB2 SER 2 HB2 SER 2 -19.079 13.710 -4.847 10 HB3 SER 2 HB3 SER 2 -18.138 12.604 -5.843 11 HG SER 2 HG SER 2 -20.095 12.264 -6.630 12 H VAL 3 HN VAL 3 -17.793 11.645 -1.440 13 HA VAL 3 HA VAL 3 -15.348 13.331 -1.873 14 HB VAL 3 HB VAL 3 -17.295 14.133 -0.415 15 HG11 VAL 3 HG11 VAL 3 -17.515 11.765 0.623 16 HG12 VAL 3 HG12 VAL 3 -17.675 13.155 1.697 17 HG13 VAL 3 HG13 VAL 3 -16.163 12.247 1.648 18 HG21 VAL 3 HG21 VAL 3 -15.262 14.251 1.565 19 HG22 VAL 3 HG22 VAL 3 -15.650 15.468 0.348 20 HG23 VAL 3 HG23 VAL 3 -14.448 14.226 0.001 21 H SER 4 HN SER 4 -15.806 10.275 -2.047 22 HA SER 4 HA SER 4 -13.934 9.383 0.103 23 HB2 SER 4 HB2 SER 4 -16.145 8.272 -0.155 24 HB3 SER 4 HB3 SER 4 -15.711 7.839 -1.807 25 HG SER 4 HG SER 4 -14.563 6.970 0.630 26 H HIS 5 HN HIS 5 -14.019 10.121 -3.233 27 HA HIS 5 HA HIS 5 -11.832 8.270 -3.974 28 HB2 HIS 5 HB2 HIS 5 -13.995 9.363 -5.260 29 HB3 HIS 5 HB3 HIS 5 -12.693 10.410 -5.822 30 HD1 HIS 5 HD1 HIS 5 -10.637 9.195 -7.012 31 HD2 HIS 5 HD2 HIS 5 -13.980 6.790 -6.364 32 HE1 HIS 5 HE1 HIS 5 -10.337 7.142 -8.466 33 H ALA 6 HN ALA 6 -11.270 10.376 -1.944 34 HA ALA 6 HA ALA 6 -9.168 11.901 -3.452 35 HB1 ALA 6 HB1 ALA 6 -10.985 13.376 -2.832 36 HB2 ALA 6 HB2 ALA 6 -9.635 13.711 -1.749 37 HB3 ALA 6 HB3 ALA 6 -10.998 12.745 -1.185 38 H ARG 7 HN ARG 7 -9.171 9.301 -1.746 39 HA ARG 7 HA ARG 7 -6.754 9.988 -0.175 40 HB2 ARG 7 HB2 ARG 7 -9.454 9.465 0.908 41 HB3 ARG 7 HB3 ARG 7 -8.175 8.517 1.663 42 HG2 ARG 7 HG2 ARG 7 -6.880 10.719 1.888 43 HG3 ARG 7 HG3 ARG 7 -8.396 11.525 1.483 44 HD2 ARG 7 HD2 ARG 7 -9.377 9.956 3.386 45 HD3 ARG 7 HD3 ARG 7 -7.692 9.954 3.941 46 HE ARG 7 HE ARG 7 -9.473 12.301 3.847 47 HH11 ARG 7 HH11 ARG 7 -7.482 11.438 6.039 48 HH12 ARG 7 HH12 ARG 7 -6.284 12.679 5.888 49 HH21 ARG 7 HH21 ARG 7 -7.410 13.751 2.777 50 HH22 ARG 7 HH22 ARG 7 -6.244 13.997 4.034 51 HA PRO 8 HA PRO 8 -5.835 5.893 -1.627 52 HB2 PRO 8 HB2 PRO 8 -3.581 5.433 -0.140 53 HB3 PRO 8 HB3 PRO 8 -3.604 6.510 -1.551 54 HG2 PRO 8 HG2 PRO 8 -3.654 7.182 1.342 55 HG3 PRO 8 HG3 PRO 8 -2.860 8.019 -0.000 56 HD2 PRO 8 HD2 PRO 8 -5.216 8.833 1.150 57 HD3 PRO 8 HD3 PRO 8 -4.721 9.233 -0.507 58 H ARG 9 HN ARG 9 -7.819 5.067 -0.498 59 HA ARG 9 HA ARG 9 -7.091 3.451 1.932 60 HB2 ARG 9 HB2 ARG 9 -9.108 5.574 1.517 61 HB3 ARG 9 HB3 ARG 9 -9.737 4.122 2.295 62 HG2 ARG 9 HG2 ARG 9 -8.725 4.657 4.221 63 HG3 ARG 9 HG3 ARG 9 -7.165 4.777 3.414 64 HD2 ARG 9 HD2 ARG 9 -8.627 7.083 2.639 65 HD3 ARG 9 HD3 ARG 9 -8.826 6.919 4.395 66 HE ARG 9 HE ARG 9 -6.142 6.843 3.056 67 HH11 ARG 9 HH21 ARG 9 -7.260 6.269 6.058 68 HH12 ARG 9 HH22 ARG 9 -6.483 7.596 6.853 69 HH21 ARG 9 HH11 ARG 9 -5.574 9.180 3.895 70 HH22 ARG 9 HH12 ARG 9 -5.525 9.249 5.624 71 H TRP 10 HN TRP 10 -8.018 3.177 -1.229 72 HA TRP 10 HA TRP 10 -10.258 1.348 -1.126 73 HB2 TRP 10 HB2 TRP 10 -9.430 2.540 -3.165 74 HB3 TRP 10 HB3 TRP 10 -7.947 1.587 -3.095 75 HD1 TRP 10 HD1 TRP 10 -7.965 -0.662 -4.295 76 HE1 TRP 10 HE1 TRP 10 -9.769 -2.153 -5.372 77 HE3 TRP 10 HE3 TRP 10 -12.166 1.869 -2.868 78 HZ2 TRP 10 HZ2 TRP 10 -12.620 -2.260 -5.599 79 HZ3 TRP 10 HZ3 TRP 10 -14.410 1.050 -3.528 80 HH2 TRP 10 HH2 TRP 10 -14.642 -1.008 -4.891 81 H PHE 11 HN PHE 11 -9.708 -0.024 0.707 82 HA PHE 11 HA PHE 11 -8.721 -1.910 1.744 83 HB2 PHE 11 HB2 PHE 11 -8.949 -2.417 -1.024 84 HB3 PHE 11 HB3 PHE 11 -7.291 -2.865 -0.623 85 HD1 PHE 11 HD2 PHE 11 -6.861 -4.514 1.230 86 HD2 PHE 11 HD1 PHE 11 -10.804 -3.725 -0.282 87 HE1 PHE 11 HE2 PHE 11 -7.679 -6.613 2.267 88 HE2 PHE 11 HE1 PHE 11 -11.622 -5.824 0.754 89 HZ PHE 11 HZ PHE 11 -10.059 -7.268 2.029 90 H TRP 12 HN TRP 12 -7.377 0.764 1.236 91 HA TRP 12 HA TRP 12 -5.295 1.826 1.370 92 HB2 TRP 12 HB2 TRP 12 -5.308 -0.523 3.229 93 HB3 TRP 12 HB3 TRP 12 -3.846 0.450 3.089 94 HD1 TRP 12 HD1 TRP 12 -4.274 3.198 3.393 95 HE1 TRP 12 HE1 TRP 12 -5.799 4.383 5.097 96 HE3 TRP 12 HE3 TRP 12 -7.372 -0.665 4.631 97 HZ2 TRP 12 HZ2 TRP 12 -8.043 3.773 6.764 98 HZ3 TRP 12 HZ3 TRP 12 -9.196 -0.335 6.276 99 HH2 TRP 12 HH2 TRP 12 -9.536 1.877 7.342 100 H PHE 13 HN PHE 13 -5.633 0.163 -0.905 101 HA PHE 13 HA PHE 13 -3.417 -1.587 -1.410 102 HB2 PHE 13 HB2 PHE 13 -5.601 -1.511 -2.619 103 HB3 PHE 13 HB3 PHE 13 -5.151 0.060 -3.282 104 HD1 PHE 13 HD2 PHE 13 -3.976 -3.487 -3.057 105 HD2 PHE 13 HD1 PHE 13 -3.893 0.197 -5.266 106 HE1 PHE 13 HE2 PHE 13 -2.738 -4.613 -4.888 107 HE2 PHE 13 HE1 PHE 13 -2.653 -0.929 -7.097 108 HZ PHE 13 HZ PHE 13 -2.075 -3.333 -6.907 109 H SER 14 HN SER 14 -4.031 1.715 -2.598 110 HA SER 14 HA SER 14 -1.423 2.181 -3.662 111 HB2 SER 14 HB2 SER 14 -3.588 3.995 -2.570 112 HB3 SER 14 HB3 SER 14 -2.149 4.611 -3.380 113 HG SER 14 HG SER 14 -4.298 3.951 -4.562 114 H LEU 15 HN LEU 15 -2.771 2.555 -0.440 115 HA LEU 15 HA LEU 15 -0.571 3.961 0.779 116 HB2 LEU 15 HB2 LEU 15 -3.061 3.351 1.521 117 HB3 LEU 15 HB3 LEU 15 -2.273 1.943 2.229 118 HG LEU 15 HG LEU 15 -2.488 3.867 3.820 119 HD11 LEU 15 HD11 LEU 15 -0.540 2.104 3.714 120 HD12 LEU 15 HD12 LEU 15 -0.406 3.489 4.797 121 HD13 LEU 15 HD13 LEU 15 0.435 3.496 3.247 122 HD21 LEU 15 HD21 LEU 15 -0.309 5.251 2.283 123 HD22 LEU 15 HD22 LEU 15 -1.453 5.924 3.444 124 HD23 LEU 15 HD23 LEU 15 -1.990 5.511 1.817 125 H LEU 16 HN LEU 16 -1.396 0.498 0.452 126 HA LEU 16 HA LEU 16 0.936 -0.523 1.805 127 HB2 LEU 16 HB2 LEU 16 -1.397 -1.563 1.029 128 HB3 LEU 16 HB3 LEU 16 -0.463 -2.000 -0.400 129 HG LEU 16 HG LEU 16 0.662 -2.587 2.323 130 HD11 LEU 16 HD11 LEU 16 -1.270 -4.391 0.837 131 HD12 LEU 16 HD12 LEU 16 -1.695 -3.451 2.268 132 HD13 LEU 16 HD13 LEU 16 -0.483 -4.728 2.379 133 HD21 LEU 16 HD21 LEU 16 1.346 -4.659 0.807 134 HD22 LEU 16 HD22 LEU 16 2.221 -3.132 0.689 135 HD23 LEU 16 HD23 LEU 16 0.985 -3.535 -0.503 136 H LEU 17 HN LEU 17 0.184 0.235 -1.551 137 HA LEU 17 HA LEU 17 2.570 -0.777 -2.770 138 HB2 LEU 17 HB2 LEU 17 0.232 0.792 -3.428 139 HB3 LEU 17 HB3 LEU 17 1.658 1.527 -4.157 140 HG LEU 17 HG LEU 17 2.267 -0.815 -4.989 141 HD11 LEU 17 HD11 LEU 17 0.607 -2.511 -4.995 142 HD12 LEU 17 HD12 LEU 17 -0.662 -1.385 -4.512 143 HD13 LEU 17 HD13 LEU 17 0.575 -1.871 -3.352 144 HD21 LEU 17 HD21 LEU 17 0.358 -0.694 -6.772 145 HD22 LEU 17 HD22 LEU 17 1.484 0.658 -6.647 146 HD23 LEU 17 HD23 LEU 17 -0.119 0.774 -5.919 147 H LEU 18 HN LEU 18 1.753 2.293 -1.264 148 HA LEU 18 HA LEU 18 4.249 3.637 -1.887 149 HB2 LEU 18 HB2 LEU 18 1.823 4.466 -1.158 150 HB3 LEU 18 HB3 LEU 18 2.519 4.342 0.458 151 HG LEU 18 HG LEU 18 4.078 5.751 -1.685 152 HD11 LEU 18 HD11 LEU 18 1.803 6.968 -0.086 153 HD12 LEU 18 HD12 LEU 18 1.823 6.726 -1.834 154 HD13 LEU 18 HD13 LEU 18 2.941 7.868 -1.088 155 HD21 LEU 18 HD21 LEU 18 5.296 5.603 0.307 156 HD22 LEU 18 HD22 LEU 18 3.857 5.754 1.315 157 HD23 LEU 18 HD23 LEU 18 4.509 7.170 0.492 158 H ALA 19 HN ALA 19 3.014 1.738 0.815 159 HA ALA 19 HA ALA 19 5.141 2.212 2.687 160 HB1 ALA 19 HB1 ALA 19 3.401 -0.246 2.284 161 HB2 ALA 19 HB2 ALA 19 2.894 1.204 3.150 162 HB3 ALA 19 HB3 ALA 19 4.216 0.220 3.776 163 H ALA 20 HN ALA 20 4.714 -0.207 0.097 164 HA ALA 20 HA ALA 20 7.015 -1.817 0.651 165 HB1 ALA 20 HB1 ALA 20 5.222 -2.494 -0.855 166 HB2 ALA 20 HB2 ALA 20 6.723 -2.423 -1.779 167 HB3 ALA 20 HB3 ALA 20 5.542 -1.119 -1.912 168 H GLY 21 HN GLY 21 6.595 1.118 -1.348 169 HA2 GLY 21 HA2 GLY 21 9.267 1.195 -2.392 170 HA3 GLY 21 HA3 GLY 21 8.177 2.577 -2.285 171 H VAL 22 HN VAL 22 7.800 2.508 0.572 172 HA VAL 22 HA VAL 22 10.038 4.067 1.466 173 HB VAL 22 HB VAL 22 7.859 2.581 2.983 174 HG11 VAL 22 HG11 VAL 22 8.291 4.264 4.763 175 HG12 VAL 22 HG12 VAL 22 9.662 4.870 3.834 176 HG13 VAL 22 HG13 VAL 22 9.691 3.229 4.480 177 HG21 VAL 22 HG21 VAL 22 6.447 4.255 2.398 178 HG22 VAL 22 HG22 VAL 22 7.627 4.661 1.152 179 HG23 VAL 22 HG23 VAL 22 7.663 5.492 2.707 180 H GLY 23 HN GLY 23 9.161 0.638 1.975 181 HA2 GLY 23 HA2 GLY 23 11.295 0.007 3.782 182 HA3 GLY 23 HA3 GLY 23 10.419 -1.164 2.798 183 H ILE 24 HN ILE 24 11.047 -0.136 0.223 184 HA ILE 24 HA ILE 24 13.655 -1.301 -0.219 185 HB ILE 24 HB ILE 24 11.795 0.423 -1.899 186 HG12 ILE 24 HG12 ILE 24 10.900 -1.781 -1.239 187 HG13 ILE 24 HG13 ILE 24 11.238 -1.739 -2.967 188 HG21 ILE 24 HG21 ILE 24 13.931 0.690 -2.917 189 HG22 ILE 24 HG22 ILE 24 13.147 -0.600 -3.828 190 HG23 ILE 24 HG23 ILE 24 14.369 -0.993 -2.619 191 HD11 ILE 24 HD11 ILE 24 12.164 -3.796 -2.290 192 HD12 ILE 24 HD12 ILE 24 12.783 -3.125 -0.781 193 HD13 ILE 24 HD13 ILE 24 13.559 -2.716 -2.312 194 H TYR 25 HN TYR 25 12.509 2.074 0.112 195 HA TYR 25 HA TYR 25 14.977 3.343 -0.656 196 HB2 TYR 25 HB2 TYR 25 12.530 4.239 -0.217 197 HB3 TYR 25 HB3 TYR 25 13.126 4.466 1.429 198 HD1 TYR 25 HD1 TYR 25 15.111 5.924 1.857 199 HD2 TYR 25 HD2 TYR 25 13.301 5.624 -2.027 200 HE1 TYR 25 HE1 TYR 25 16.279 7.994 1.152 201 HE2 TYR 25 HE2 TYR 25 14.468 7.695 -2.731 202 HH TYR 25 HH TYR 25 15.536 9.878 -1.013 203 H LEU 26 HN LEU 26 13.894 1.778 2.294 204 HA LEU 26 HA LEU 26 16.027 2.851 3.993 205 HB2 LEU 26 HB2 LEU 26 13.692 1.060 4.150 206 HB3 LEU 26 HB3 LEU 26 15.044 0.515 5.138 207 HG LEU 26 HG LEU 26 13.588 1.999 6.442 208 HD11 LEU 26 HD11 LEU 26 15.992 3.688 5.834 209 HD12 LEU 26 HD12 LEU 26 16.224 2.069 6.493 210 HD13 LEU 26 HD13 LEU 26 15.292 3.263 7.396 211 HD21 LEU 26 HD21 LEU 26 13.434 4.414 5.767 212 HD22 LEU 26 HD22 LEU 26 12.611 3.323 4.654 213 HD23 LEU 26 HD23 LEU 26 14.188 3.988 4.230 214 H LEU 27 HN LEU 27 15.576 0.176 1.777 215 HA LEU 27 HA LEU 27 18.360 -0.771 2.348 216 HB2 LEU 27 HB2 LEU 27 16.242 -2.089 3.233 217 HB3 LEU 27 HB3 LEU 27 16.134 -2.631 1.558 218 HG LEU 27 HG LEU 27 18.739 -3.082 1.913 219 HD11 LEU 27 HD11 LEU 27 18.542 -2.119 4.277 220 HD12 LEU 27 HD12 LEU 27 19.320 -3.697 4.146 221 HD13 LEU 27 HD13 LEU 27 17.645 -3.581 4.690 222 HD21 LEU 27 HD21 LEU 27 16.627 -4.925 3.076 223 HD22 LEU 27 HD22 LEU 27 18.187 -5.399 2.402 224 HD23 LEU 27 HD23 LEU 27 16.935 -4.740 1.349 225 HA PRO 28 HA PRO 28 17.470 -0.356 -2.220 226 HB2 PRO 28 HB2 PRO 28 18.387 2.168 -2.758 227 HB3 PRO 28 HB3 PRO 28 16.715 1.818 -2.282 228 HG2 PRO 28 HG2 PRO 28 18.809 3.159 -0.775 229 HG3 PRO 28 HG3 PRO 28 17.073 3.091 -0.472 230 HD2 PRO 28 HD2 PRO 28 19.189 1.559 0.784 231 HD3 PRO 28 HD3 PRO 28 17.474 1.646 1.208 232 H ASN 29 HN ASN 29 20.249 0.416 -0.241 233 HA ASN 29 HA ASN 29 22.111 -0.103 -2.526 234 HB2 ASN 29 HB2 ASN 29 23.774 0.963 -1.062 235 HB3 ASN 29 HB3 ASN 29 22.348 1.989 -1.196 236 HD21 ASN 29 HD21 ASN 29 21.136 2.407 0.729 237 HD22 ASN 29 HD22 ASN 29 21.566 1.787 2.249 238 H ARG 30 HN ARG 30 20.556 -1.923 -0.270 239 HA ARG 30 HA ARG 30 22.768 -3.913 -0.167 240 HB2 ARG 30 HB2 ARG 30 21.760 -2.265 2.011 241 HB3 ARG 30 HB3 ARG 30 21.545 -3.979 2.365 242 HG2 ARG 30 HG2 ARG 30 24.166 -2.977 1.274 243 HG3 ARG 30 HG3 ARG 30 23.812 -2.844 2.997 244 HD2 ARG 30 HD2 ARG 30 23.596 -5.214 3.242 245 HD3 ARG 30 HD3 ARG 30 23.538 -5.460 1.486 246 HE ARG 30 HE ARG 30 25.915 -4.610 1.425 247 HH11 ARG 30 HH11 ARG 30 26.119 -3.565 4.198 248 HH12 ARG 30 HH12 ARG 30 26.935 -4.847 5.029 249 HH21 ARG 30 HH21 ARG 30 26.284 -7.209 2.563 250 HH22 ARG 30 HH22 ARG 30 27.028 -6.919 4.098 Start of MODEL 20 1 HA HIS 1 HA HIS 1 -13.438 -18.295 5.924 2 HB2 HIS 1 HB2 HIS 1 -12.569 -17.790 8.754 3 HB3 HIS 1 HB3 HIS 1 -14.196 -18.407 8.474 4 HD1 HIS 1 HD1 HIS 1 -10.883 -19.597 9.039 5 HD2 HIS 1 HD2 HIS 1 -14.002 -20.812 6.552 6 HE1 HIS 1 HE1 HIS 1 -10.386 -21.992 8.383 7 H SER 2 HN SER 2 -15.453 -17.492 5.428 8 HA SER 2 HA SER 2 -17.217 -15.941 5.187 9 HB2 SER 2 HB2 SER 2 -17.212 -16.784 7.648 10 HB3 SER 2 HB3 SER 2 -16.577 -15.188 8.041 11 HG SER 2 HG SER 2 -18.464 -14.334 7.604 12 H VAL 3 HN VAL 3 -14.782 -14.913 4.213 13 HA VAL 3 HA VAL 3 -13.717 -12.888 3.638 14 HB VAL 3 HB VAL 3 -16.303 -11.679 4.672 15 HG11 VAL 3 HG11 VAL 3 -14.065 -10.519 3.509 16 HG12 VAL 3 HG12 VAL 3 -15.679 -9.812 3.557 17 HG13 VAL 3 HG13 VAL 3 -15.162 -10.733 2.145 18 HG21 VAL 3 HG21 VAL 3 -15.716 -13.197 2.116 19 HG22 VAL 3 HG22 VAL 3 -17.064 -12.069 2.254 20 HG23 VAL 3 HG23 VAL 3 -17.003 -13.499 3.284 21 H SER 4 HN SER 4 -13.375 -13.900 6.439 22 HA SER 4 HA SER 4 -12.988 -11.320 7.904 23 HB2 SER 4 HB2 SER 4 -14.415 -13.366 8.720 24 HB3 SER 4 HB3 SER 4 -12.847 -14.067 9.114 25 HG SER 4 HG SER 4 -12.553 -12.582 10.632 26 H HIS 5 HN HIS 5 -11.307 -13.891 6.365 27 HA HIS 5 HA HIS 5 -8.721 -12.868 7.471 28 HB2 HIS 5 HB2 HIS 5 -9.773 -15.689 7.249 29 HB3 HIS 5 HB3 HIS 5 -8.044 -15.365 7.350 30 HD1 HIS 5 HD1 HIS 5 -10.690 -16.230 9.501 31 HD2 HIS 5 HD2 HIS 5 -7.675 -13.362 9.738 32 HE1 HIS 5 HE1 HIS 5 -10.485 -15.608 11.947 33 H ALA 6 HN ALA 6 -9.341 -11.802 5.169 34 HA ALA 6 HA ALA 6 -7.911 -13.414 3.091 35 HB1 ALA 6 HB1 ALA 6 -9.580 -12.287 1.494 36 HB2 ALA 6 HB2 ALA 6 -10.488 -11.846 2.940 37 HB3 ALA 6 HB3 ALA 6 -10.228 -13.545 2.546 38 H ARG 7 HN ARG 7 -9.311 -10.195 2.811 39 HA ARG 7 HA ARG 7 -6.625 -8.930 2.982 40 HB2 ARG 7 HB2 ARG 7 -6.989 -7.896 0.738 41 HB3 ARG 7 HB3 ARG 7 -6.897 -9.653 0.653 42 HG2 ARG 7 HG2 ARG 7 -9.566 -9.370 1.002 43 HG3 ARG 7 HG3 ARG 7 -9.217 -7.851 0.176 44 HD2 ARG 7 HD2 ARG 7 -7.755 -9.695 -1.300 45 HD3 ARG 7 HD3 ARG 7 -9.242 -10.579 -0.905 46 HE ARG 7 HE ARG 7 -10.527 -8.697 -1.876 47 HH11 ARG 7 HH21 ARG 7 -8.315 -6.636 -1.682 48 HH12 ARG 7 HH22 ARG 7 -7.824 -6.495 -3.336 49 HH21 ARG 7 HH11 ARG 7 -9.385 -9.440 -4.323 50 HH22 ARG 7 HH12 ARG 7 -8.433 -8.088 -4.838 51 HA PRO 8 HA PRO 8 -9.921 -6.386 4.933 52 HB2 PRO 8 HB2 PRO 8 -8.304 -5.400 6.912 53 HB3 PRO 8 HB3 PRO 8 -9.148 -6.957 7.030 54 HG2 PRO 8 HG2 PRO 8 -6.308 -6.393 6.317 55 HG3 PRO 8 HG3 PRO 8 -6.983 -7.678 7.334 56 HD2 PRO 8 HD2 PRO 8 -6.198 -8.091 4.772 57 HD3 PRO 8 HD3 PRO 8 -7.521 -9.003 5.535 58 H ARG 9 HN ARG 9 -6.916 -5.682 3.402 59 HA ARG 9 HA ARG 9 -6.860 -2.814 3.806 60 HB2 ARG 9 HB2 ARG 9 -5.573 -4.827 1.973 61 HB3 ARG 9 HB3 ARG 9 -5.360 -3.104 1.661 62 HG2 ARG 9 HG2 ARG 9 -4.633 -2.866 4.084 63 HG3 ARG 9 HG3 ARG 9 -4.601 -4.628 4.163 64 HD2 ARG 9 HD2 ARG 9 -3.191 -3.619 1.802 65 HD3 ARG 9 HD3 ARG 9 -2.491 -3.017 3.317 66 HE ARG 9 HE ARG 9 -2.491 -5.797 2.439 67 HH11 ARG 9 HH21 ARG 9 -0.538 -4.208 4.267 68 HH12 ARG 9 HH22 ARG 9 -0.721 -5.090 5.746 69 HH21 ARG 9 HH11 ARG 9 -3.622 -6.713 4.726 70 HH22 ARG 9 HH12 ARG 9 -2.471 -6.514 6.006 71 H TRP 10 HN TRP 10 -7.463 -4.592 0.740 72 HA TRP 10 HA TRP 10 -8.844 -4.076 -1.094 73 HB2 TRP 10 HB2 TRP 10 -10.329 -3.477 1.392 74 HB3 TRP 10 HB3 TRP 10 -10.971 -2.678 -0.043 75 HD1 TRP 10 HD1 TRP 10 -10.779 -4.661 -2.278 76 HE1 TRP 10 HE1 TRP 10 -11.951 -6.957 -2.235 77 HE3 TRP 10 HE3 TRP 10 -11.431 -5.226 2.756 78 HZ2 TRP 10 HZ2 TRP 10 -13.022 -8.791 -0.319 79 HZ3 TRP 10 HZ3 TRP 10 -12.530 -7.255 3.662 80 HH2 TRP 10 HH2 TRP 10 -13.325 -9.036 2.131 81 H PHE 11 HN PHE 11 -9.779 -1.147 0.689 82 HA PHE 11 HA PHE 11 -8.990 0.570 -1.535 83 HB2 PHE 11 HB2 PHE 11 -10.899 0.733 0.277 84 HB3 PHE 11 HB3 PHE 11 -9.649 1.514 1.245 85 HD1 PHE 11 HD2 PHE 11 -11.671 1.737 -1.839 86 HD2 PHE 11 HD1 PHE 11 -8.760 3.692 0.642 87 HE1 PHE 11 HE2 PHE 11 -12.028 3.852 -3.086 88 HE2 PHE 11 HE1 PHE 11 -9.117 5.805 -0.603 89 HZ PHE 11 HZ PHE 11 -10.752 5.886 -2.467 90 H TRP 12 HN TRP 12 -7.402 -0.629 1.322 91 HA TRP 12 HA TRP 12 -5.442 1.558 1.498 92 HB2 TRP 12 HB2 TRP 12 -5.816 -1.136 2.830 93 HB3 TRP 12 HB3 TRP 12 -4.468 -0.068 3.210 94 HD1 TRP 12 HD1 TRP 12 -8.320 -0.123 3.284 95 HE1 TRP 12 HE1 TRP 12 -9.123 1.524 5.095 96 HE3 TRP 12 HE3 TRP 12 -3.847 1.912 4.672 97 HZ2 TRP 12 HZ2 TRP 12 -8.015 3.448 6.897 98 HZ3 TRP 12 HZ3 TRP 12 -3.750 3.647 6.437 99 HH2 TRP 12 HH2 TRP 12 -5.827 4.418 7.550 100 H PHE 13 HN PHE 13 -5.734 -0.431 -0.955 101 HA PHE 13 HA PHE 13 -3.267 -1.917 -1.077 102 HB2 PHE 13 HB2 PHE 13 -5.380 -2.261 -2.430 103 HB3 PHE 13 HB3 PHE 13 -4.951 -0.813 -3.341 104 HD1 PHE 13 HD1 PHE 13 -3.820 -4.242 -2.447 105 HD2 PHE 13 HD2 PHE 13 -3.268 -0.857 -5.032 106 HE1 PHE 13 HE1 PHE 13 -2.310 -5.586 -3.884 107 HE2 PHE 13 HE2 PHE 13 -1.759 -2.201 -6.470 108 HZ PHE 13 HZ PHE 13 -1.280 -4.566 -5.896 109 H SER 14 HN SER 14 -4.251 1.279 -2.226 110 HA SER 14 HA SER 14 -1.819 1.997 -3.558 111 HB2 SER 14 HB2 SER 14 -3.925 3.651 -2.132 112 HB3 SER 14 HB3 SER 14 -2.709 4.317 -3.217 113 HG SER 14 HG SER 14 -3.898 3.696 -4.828 114 H LEU 15 HN LEU 15 -2.883 2.240 -0.216 115 HA LEU 15 HA LEU 15 -0.699 3.782 0.836 116 HB2 LEU 15 HB2 LEU 15 -2.906 3.300 1.932 117 HB3 LEU 15 HB3 LEU 15 -2.399 1.624 2.144 118 HG LEU 15 HG LEU 15 -0.353 3.434 3.116 119 HD11 LEU 15 HD11 LEU 15 -1.935 3.999 5.177 120 HD12 LEU 15 HD12 LEU 15 -3.190 3.919 3.940 121 HD13 LEU 15 HD13 LEU 15 -1.860 5.065 3.774 122 HD21 LEU 15 HD21 LEU 15 -0.674 2.063 5.166 123 HD22 LEU 15 HD22 LEU 15 -0.541 1.061 3.721 124 HD23 LEU 15 HD23 LEU 15 -2.121 1.353 4.448 125 H LEU 16 HN LEU 16 -1.217 0.264 0.452 126 HA LEU 16 HA LEU 16 1.208 -0.618 1.691 127 HB2 LEU 16 HB2 LEU 16 -0.909 -1.906 0.983 128 HB3 LEU 16 HB3 LEU 16 -0.217 -1.920 -0.638 129 HG LEU 16 HG LEU 16 1.693 -2.745 1.435 130 HD11 LEU 16 HD11 LEU 16 -0.595 -4.629 0.837 131 HD12 LEU 16 HD12 LEU 16 -0.573 -3.611 2.276 132 HD13 LEU 16 HD13 LEU 16 0.688 -4.819 2.032 133 HD21 LEU 16 HD21 LEU 16 1.833 -2.936 -1.127 134 HD22 LEU 16 HD22 LEU 16 0.691 -4.272 -0.978 135 HD23 LEU 16 HD23 LEU 16 2.273 -4.375 -0.206 136 H LEU 17 HN LEU 17 0.444 0.342 -1.617 137 HA LEU 17 HA LEU 17 2.928 -0.357 -2.852 138 HB2 LEU 17 HB2 LEU 17 0.600 0.437 -3.781 139 HB3 LEU 17 HB3 LEU 17 1.289 2.051 -3.610 140 HG LEU 17 HG LEU 17 3.006 0.020 -4.945 141 HD11 LEU 17 HD11 LEU 17 0.694 1.323 -6.407 142 HD12 LEU 17 HD12 LEU 17 0.674 -0.353 -5.856 143 HD13 LEU 17 HD13 LEU 17 1.856 0.167 -7.058 144 HD21 LEU 17 HD21 LEU 17 3.857 1.895 -6.052 145 HD22 LEU 17 HD22 LEU 17 3.363 2.596 -4.511 146 HD23 LEU 17 HD23 LEU 17 2.336 2.780 -5.934 147 H LEU 18 HN LEU 18 1.856 2.481 -1.081 148 HA LEU 18 HA LEU 18 4.197 4.110 -1.562 149 HB2 LEU 18 HB2 LEU 18 1.762 4.670 -0.751 150 HB3 LEU 18 HB3 LEU 18 2.409 4.309 0.850 151 HG LEU 18 HG LEU 18 4.354 5.944 -0.300 152 HD11 LEU 18 HD11 LEU 18 2.949 7.952 -0.971 153 HD12 LEU 18 HD12 LEU 18 1.566 6.861 -1.049 154 HD13 LEU 18 HD13 LEU 18 2.943 6.618 -2.125 155 HD21 LEU 18 HD21 LEU 18 2.730 7.637 1.210 156 HD22 LEU 18 HD22 LEU 18 4.033 6.628 1.834 157 HD23 LEU 18 HD23 LEU 18 2.373 6.033 1.850 158 H ALA 19 HN ALA 19 3.248 1.783 0.905 159 HA ALA 19 HA ALA 19 5.447 2.271 2.727 160 HB1 ALA 19 HB1 ALA 19 3.132 1.048 2.982 161 HB2 ALA 19 HB2 ALA 19 4.521 0.447 3.886 162 HB3 ALA 19 HB3 ALA 19 4.019 -0.362 2.402 163 H ALA 20 HN ALA 20 4.941 0.069 -0.023 164 HA ALA 20 HA ALA 20 7.290 -1.539 0.283 165 HB1 ALA 20 HB1 ALA 20 6.890 -1.713 -2.304 166 HB2 ALA 20 HB2 ALA 20 5.469 -0.723 -1.976 167 HB3 ALA 20 HB3 ALA 20 5.639 -2.304 -1.211 168 H GLY 21 HN GLY 21 6.733 1.556 -1.412 169 HA2 GLY 21 HA2 GLY 21 9.360 1.758 -2.569 170 HA3 GLY 21 HA3 GLY 21 8.249 3.106 -2.318 171 H VAL 22 HN VAL 22 7.939 3.037 0.453 172 HA VAL 22 HA VAL 22 10.312 4.380 1.384 173 HB VAL 22 HB VAL 22 7.868 3.198 2.751 174 HG11 VAL 22 HG11 VAL 22 9.478 3.340 4.494 175 HG12 VAL 22 HG12 VAL 22 8.559 4.840 4.613 176 HG13 VAL 22 HG13 VAL 22 10.152 4.841 3.858 177 HG21 VAL 22 HG21 VAL 22 8.605 6.086 2.189 178 HG22 VAL 22 HG22 VAL 22 7.049 5.468 2.745 179 HG23 VAL 22 HG23 VAL 22 7.604 5.115 1.109 180 H GLY 23 HN GLY 23 9.038 1.077 1.895 181 HA2 GLY 23 HA2 GLY 23 11.014 0.205 3.766 182 HA3 GLY 23 HA3 GLY 23 10.077 -0.860 2.716 183 H ILE 24 HN ILE 24 10.887 -0.123 0.196 184 HA ILE 24 HA ILE 24 13.465 -1.393 -0.061 185 HB ILE 24 HB ILE 24 11.689 0.240 -1.909 186 HG12 ILE 24 HG12 ILE 24 10.840 -1.969 -1.145 187 HG13 ILE 24 HG13 ILE 24 11.167 -1.958 -2.877 188 HG21 ILE 24 HG21 ILE 24 14.302 -1.175 -2.485 189 HG22 ILE 24 HG22 ILE 24 13.870 0.496 -2.847 190 HG23 ILE 24 HG23 ILE 24 13.119 -0.824 -3.746 191 HD11 ILE 24 HD11 ILE 24 12.129 -3.986 -2.133 192 HD12 ILE 24 HD12 ILE 24 12.776 -3.243 -0.670 193 HD13 ILE 24 HD13 ILE 24 13.503 -2.884 -2.237 194 H TYR 25 HN TYR 25 12.444 2.033 0.030 195 HA TYR 25 HA TYR 25 14.938 3.194 -0.780 196 HB2 TYR 25 HB2 TYR 25 12.679 4.312 -0.525 197 HB3 TYR 25 HB3 TYR 25 12.934 4.282 1.220 198 HD1 TYR 25 HD2 TYR 25 14.181 5.640 -1.994 199 HD2 TYR 25 HD1 TYR 25 14.530 5.745 2.286 200 HE1 TYR 25 HE2 TYR 25 15.561 7.694 -2.156 201 HE2 TYR 25 HE1 TYR 25 15.911 7.798 2.125 202 HH TYR 25 HH TYR 25 17.516 8.753 -0.166 203 H LEU 26 HN LEU 26 13.873 1.752 2.241 204 HA LEU 26 HA LEU 26 16.070 2.842 3.853 205 HB2 LEU 26 HB2 LEU 26 13.956 0.694 4.199 206 HB3 LEU 26 HB3 LEU 26 15.148 1.049 5.449 207 HG LEU 26 HG LEU 26 13.568 3.309 4.264 208 HD11 LEU 26 HD11 LEU 26 12.540 1.779 6.645 209 HD12 LEU 26 HD12 LEU 26 12.071 1.301 5.013 210 HD13 LEU 26 HD13 LEU 26 11.683 2.916 5.604 211 HD21 LEU 26 HD21 LEU 26 15.525 3.515 5.924 212 HD22 LEU 26 HD22 LEU 26 14.436 2.812 7.119 213 HD23 LEU 26 HD23 LEU 26 14.033 4.350 6.356 214 H LEU 27 HN LEU 27 15.480 0.051 1.803 215 HA LEU 27 HA LEU 27 18.235 -0.963 2.420 216 HB2 LEU 27 HB2 LEU 27 16.118 -2.188 3.356 217 HB3 LEU 27 HB3 LEU 27 15.899 -2.725 1.689 218 HG LEU 27 HG LEU 27 18.478 -3.340 1.910 219 HD11 LEU 27 HD11 LEU 27 19.213 -3.868 4.083 220 HD12 LEU 27 HD12 LEU 27 17.578 -3.840 4.743 221 HD13 LEU 27 HD13 LEU 27 18.379 -2.331 4.308 222 HD21 LEU 27 HD21 LEU 27 16.341 -5.040 3.232 223 HD22 LEU 27 HD22 LEU 27 17.820 -5.610 2.457 224 HD23 LEU 27 HD23 LEU 27 16.538 -4.886 1.485 225 HA PRO 28 HA PRO 28 17.411 -0.705 -2.177 226 HB2 PRO 28 HB2 PRO 28 18.354 1.785 -2.818 227 HB3 PRO 28 HB3 PRO 28 16.670 1.470 -2.360 228 HG2 PRO 28 HG2 PRO 28 18.749 2.865 -0.877 229 HG3 PRO 28 HG3 PRO 28 17.006 2.833 -0.612 230 HD2 PRO 28 HD2 PRO 28 19.068 1.350 0.777 231 HD3 PRO 28 HD3 PRO 28 17.342 1.461 1.142 232 H ASN 29 HN ASN 29 20.139 0.157 -0.172 233 HA ASN 29 HA ASN 29 22.087 -0.406 -2.362 234 HB2 ASN 29 HB2 ASN 29 21.995 1.556 -0.520 235 HB3 ASN 29 HB3 ASN 29 22.883 0.353 0.414 236 HD21 ASN 29 HD21 ASN 29 24.715 -0.774 -1.103 237 HD22 ASN 29 HD22 ASN 29 25.656 0.335 -1.979 238 H ARG 30 HN ARG 30 21.088 -1.518 0.875 239 HA ARG 30 HA ARG 30 23.058 -3.702 0.923 240 HB2 ARG 30 HB2 ARG 30 20.716 -2.890 2.679 241 HB3 ARG 30 HB3 ARG 30 21.810 -4.219 3.061 242 HG2 ARG 30 HG2 ARG 30 23.647 -2.785 3.383 243 HG3 ARG 30 HG3 ARG 30 22.897 -1.470 2.476 244 HD2 ARG 30 HD2 ARG 30 21.067 -1.887 4.509 245 HD3 ARG 30 HD3 ARG 30 22.618 -2.158 5.325 246 HE ARG 30 HE ARG 30 23.031 0.151 5.090 247 HH11 ARG 30 HH11 ARG 30 19.988 0.151 4.177 248 HH12 ARG 30 HH12 ARG 30 20.114 1.210 2.811 249 HH21 ARG 30 HH21 ARG 30 23.583 1.060 2.681 250 HH22 ARG 30 HH22 ARG 30 22.154 1.735 1.970 Start of MODEL 21 1 HA HIS 1 HA HIS 1 -21.134 5.524 11.619 2 HB2 HIS 1 HB2 HIS 1 -24.099 5.723 11.950 3 HB3 HIS 1 HB3 HIS 1 -23.428 4.148 11.528 4 HD1 HIS 1 HD1 HIS 1 -21.691 3.098 13.227 5 HD2 HIS 1 HD2 HIS 1 -23.584 6.554 14.591 6 HE1 HIS 1 HE1 HIS 1 -21.248 3.223 15.717 7 H SER 2 HN SER 2 -20.857 6.825 9.216 8 HA SER 2 HA SER 2 -22.153 5.013 7.205 9 HB2 SER 2 HB2 SER 2 -22.384 7.693 7.401 10 HB3 SER 2 HB3 SER 2 -20.911 7.616 6.439 11 HG SER 2 HG SER 2 -23.512 6.769 5.841 12 H VAL 3 HN VAL 3 -19.951 3.932 8.409 13 HA VAL 3 HA VAL 3 -17.792 3.067 8.009 14 HB VAL 3 HB VAL 3 -18.411 3.890 5.155 15 HG11 VAL 3 HG11 VAL 3 -16.177 2.741 6.035 16 HG12 VAL 3 HG12 VAL 3 -16.918 2.240 4.515 17 HG13 VAL 3 HG13 VAL 3 -17.178 1.290 5.978 18 HG21 VAL 3 HG21 VAL 3 -20.415 2.822 5.882 19 HG22 VAL 3 HG22 VAL 3 -19.527 1.636 6.839 20 HG23 VAL 3 HG23 VAL 3 -19.490 1.553 5.078 21 H SER 4 HN SER 4 -17.506 5.540 9.060 22 HA SER 4 HA SER 4 -15.931 7.289 7.290 23 HB2 SER 4 HB2 SER 4 -17.584 8.019 9.079 24 HB3 SER 4 HB3 SER 4 -16.411 7.469 10.274 25 HG SER 4 HG SER 4 -16.410 9.790 9.456 26 H HIS 5 HN HIS 5 -15.329 4.739 9.545 27 HA HIS 5 HA HIS 5 -12.391 5.122 9.208 28 HB2 HIS 5 HB2 HIS 5 -14.006 5.556 11.602 29 HB3 HIS 5 HB3 HIS 5 -12.752 4.350 11.881 30 HD1 HIS 5 HD1 HIS 5 -10.394 5.190 12.159 31 HD2 HIS 5 HD2 HIS 5 -12.921 8.113 10.593 32 HE1 HIS 5 HE1 HIS 5 -9.053 7.337 12.095 33 H ALA 6 HN ALA 6 -14.167 3.172 8.000 34 HA ALA 6 HA ALA 6 -13.696 0.655 9.525 35 HB1 ALA 6 HB1 ALA 6 -15.331 -0.257 8.017 36 HB2 ALA 6 HB2 ALA 6 -15.136 1.090 6.895 37 HB3 ALA 6 HB3 ALA 6 -15.906 1.351 8.460 38 H ARG 7 HN ARG 7 -11.431 2.114 8.197 39 HA ARG 7 HA ARG 7 -9.554 1.620 6.867 40 HB2 ARG 7 HB2 ARG 7 -10.489 -0.699 8.197 41 HB3 ARG 7 HB3 ARG 7 -10.052 -1.214 6.569 42 HG2 ARG 7 HG2 ARG 7 -8.057 -1.392 7.881 43 HG3 ARG 7 HG3 ARG 7 -7.865 0.050 6.885 44 HD2 ARG 7 HD2 ARG 7 -9.208 0.783 9.333 45 HD3 ARG 7 HD3 ARG 7 -7.718 -0.102 9.717 46 HE ARG 7 HE ARG 7 -7.849 2.364 8.036 47 HH11 ARG 7 HH11 ARG 7 -6.428 2.451 10.633 48 HH12 ARG 7 HH12 ARG 7 -4.780 2.170 10.180 49 HH21 ARG 7 HH21 ARG 7 -5.587 0.904 7.043 50 HH22 ARG 7 HH22 ARG 7 -4.304 1.287 8.140 51 HA PRO 8 HA PRO 8 -12.099 1.465 3.025 52 HB2 PRO 8 HB2 PRO 8 -10.887 3.621 1.845 53 HB3 PRO 8 HB3 PRO 8 -12.255 3.773 2.966 54 HG2 PRO 8 HG2 PRO 8 -9.347 4.169 3.464 55 HG3 PRO 8 HG3 PRO 8 -10.732 5.083 4.080 56 HD2 PRO 8 HD2 PRO 8 -9.393 3.222 5.551 57 HD3 PRO 8 HD3 PRO 8 -11.110 3.612 5.793 58 H ARG 9 HN ARG 9 -11.101 -0.437 2.240 59 HA ARG 9 HA ARG 9 -8.327 -0.783 1.635 60 HB2 ARG 9 HB2 ARG 9 -10.919 -2.066 0.772 61 HB3 ARG 9 HB3 ARG 9 -9.383 -2.616 0.104 62 HG2 ARG 9 HG2 ARG 9 -9.233 -3.939 1.934 63 HG3 ARG 9 HG3 ARG 9 -8.857 -2.462 2.822 64 HD2 ARG 9 HD2 ARG 9 -11.294 -2.131 3.260 65 HD3 ARG 9 HD3 ARG 9 -11.622 -3.674 2.448 66 HE ARG 9 HE ARG 9 -9.761 -3.529 4.791 67 HH11 ARG 9 HH11 ARG 9 -10.289 -6.097 3.253 68 HH12 ARG 9 HH12 ARG 9 -11.466 -6.866 4.263 69 HH21 ARG 9 HH21 ARG 9 -12.218 -3.967 6.033 70 HH22 ARG 9 HH22 ARG 9 -12.564 -5.653 5.846 71 H TRP 10 HN TRP 10 -10.990 0.567 -0.272 72 HA TRP 10 HA TRP 10 -9.899 0.524 -2.879 73 HB2 TRP 10 HB2 TRP 10 -11.606 2.569 -1.421 74 HB3 TRP 10 HB3 TRP 10 -11.352 2.581 -3.166 75 HD1 TRP 10 HD1 TRP 10 -12.343 0.509 -4.569 76 HE1 TRP 10 HE1 TRP 10 -14.294 -1.097 -4.062 77 HE3 TRP 10 HE3 TRP 10 -12.897 1.345 0.439 78 HZ2 TRP 10 HZ2 TRP 10 -15.879 -1.921 -1.827 79 HZ3 TRP 10 HZ3 TRP 10 -14.632 0.137 1.731 80 HH2 TRP 10 HH2 TRP 10 -16.122 -1.492 0.605 81 H PHE 11 HN PHE 11 -9.346 2.861 -0.238 82 HA PHE 11 HA PHE 11 -7.351 4.320 -1.906 83 HB2 PHE 11 HB2 PHE 11 -8.832 4.820 0.682 84 HB3 PHE 11 HB3 PHE 11 -7.456 5.820 0.215 85 HD1 PHE 11 HD2 PHE 11 -7.518 7.105 -1.942 86 HD2 PHE 11 HD1 PHE 11 -10.958 5.040 -0.402 87 HE1 PHE 11 HE2 PHE 11 -8.984 8.416 -3.453 88 HE2 PHE 11 HE1 PHE 11 -12.421 6.351 -1.913 89 HZ PHE 11 HZ PHE 11 -11.435 8.039 -3.439 90 H TRP 12 HN TRP 12 -7.630 2.340 1.031 91 HA TRP 12 HA TRP 12 -4.978 2.744 2.035 92 HB2 TRP 12 HB2 TRP 12 -6.766 1.809 3.382 93 HB3 TRP 12 HB3 TRP 12 -6.969 0.470 2.254 94 HD1 TRP 12 HD1 TRP 12 -5.557 -1.625 2.644 95 HE1 TRP 12 HE1 TRP 12 -3.637 -2.258 4.241 96 HE3 TRP 12 HE3 TRP 12 -4.569 2.948 4.694 97 HZ2 TRP 12 HZ2 TRP 12 -1.910 -0.992 6.142 98 HZ3 TRP 12 HZ3 TRP 12 -2.784 3.204 6.392 99 HH2 TRP 12 HH2 TRP 12 -1.454 1.242 7.118 100 H PHE 13 HN PHE 13 -6.203 0.736 -0.552 101 HA PHE 13 HA PHE 13 -4.094 -1.172 -0.753 102 HB2 PHE 13 HB2 PHE 13 -6.239 -1.278 -1.976 103 HB3 PHE 13 HB3 PHE 13 -5.782 0.153 -2.901 104 HD1 PHE 13 HD1 PHE 13 -4.002 0.056 -4.589 105 HD2 PHE 13 HD2 PHE 13 -5.191 -3.440 -2.394 106 HE1 PHE 13 HE1 PHE 13 -2.793 -1.374 -6.214 107 HE2 PHE 13 HE2 PHE 13 -3.981 -4.870 -4.020 108 HZ PHE 13 HZ PHE 13 -2.783 -3.837 -5.929 109 H SER 14 HN SER 14 -4.442 2.064 -2.150 110 HA SER 14 HA SER 14 -1.984 2.113 -3.624 111 HB2 SER 14 HB2 SER 14 -4.127 3.697 -3.483 112 HB3 SER 14 HB3 SER 14 -3.116 4.568 -2.333 113 HG SER 14 HG SER 14 -2.724 4.075 -5.078 114 H LEU 15 HN LEU 15 -2.784 2.823 -0.278 115 HA LEU 15 HA LEU 15 -0.262 3.994 0.503 116 HB2 LEU 15 HB2 LEU 15 -2.570 3.996 1.660 117 HB3 LEU 15 HB3 LEU 15 -2.160 2.377 2.226 118 HG LEU 15 HG LEU 15 -0.101 4.488 2.630 119 HD11 LEU 15 HD11 LEU 15 -1.184 5.483 4.507 120 HD12 LEU 15 HD12 LEU 15 -2.483 4.290 4.482 121 HD13 LEU 15 HD13 LEU 15 -2.379 5.507 3.210 122 HD21 LEU 15 HD21 LEU 15 -1.075 1.968 3.905 123 HD22 LEU 15 HD22 LEU 15 -0.320 3.165 4.957 124 HD23 LEU 15 HD23 LEU 15 0.577 2.502 3.592 125 H LEU 16 HN LEU 16 -1.553 0.659 0.571 126 HA LEU 16 HA LEU 16 0.667 -0.610 1.838 127 HB2 LEU 16 HB2 LEU 16 -1.715 -1.447 1.277 128 HB3 LEU 16 HB3 LEU 16 -1.072 -1.808 -0.324 129 HG LEU 16 HG LEU 16 0.651 -2.792 1.834 130 HD11 LEU 16 HD11 LEU 16 -2.112 -4.005 1.527 131 HD12 LEU 16 HD12 LEU 16 -1.595 -3.039 2.909 132 HD13 LEU 16 HD13 LEU 16 -0.819 -4.587 2.575 133 HD21 LEU 16 HD21 LEU 16 0.648 -3.328 -0.682 134 HD22 LEU 16 HD22 LEU 16 -0.761 -4.335 -0.351 135 HD23 LEU 16 HD23 LEU 16 0.784 -4.703 0.415 136 H LEU 17 HN LEU 17 -0.011 0.094 -1.551 137 HA LEU 17 HA LEU 17 2.264 -1.222 -2.701 138 HB2 LEU 17 HB2 LEU 17 0.071 -0.175 -3.709 139 HB3 LEU 17 HB3 LEU 17 1.032 1.302 -3.788 140 HG LEU 17 HG LEU 17 2.338 -1.160 -4.818 141 HD11 LEU 17 HD11 LEU 17 0.335 0.252 -6.571 142 HD12 LEU 17 HD12 LEU 17 -0.149 -1.130 -5.588 143 HD13 LEU 17 HD13 LEU 17 1.104 -1.316 -6.814 144 HD21 LEU 17 HD21 LEU 17 3.464 0.358 -6.171 145 HD22 LEU 17 HD22 LEU 17 3.068 1.395 -4.800 146 HD23 LEU 17 HD23 LEU 17 2.086 1.455 -6.263 147 H LEU 18 HN LEU 18 1.782 1.914 -1.234 148 HA LEU 18 HA LEU 18 4.356 3.038 -2.001 149 HB2 LEU 18 HB2 LEU 18 1.953 3.995 -1.119 150 HB3 LEU 18 HB3 LEU 18 2.890 4.055 0.371 151 HG LEU 18 HG LEU 18 3.064 6.180 -0.872 152 HD11 LEU 18 HD11 LEU 18 5.427 6.419 -0.732 153 HD12 LEU 18 HD12 LEU 18 5.698 4.719 -1.112 154 HD13 LEU 18 HD13 LEU 18 5.015 5.176 0.447 155 HD21 LEU 18 HD21 LEU 18 2.792 4.966 -3.137 156 HD22 LEU 18 HD22 LEU 18 4.527 4.666 -3.039 157 HD23 LEU 18 HD23 LEU 18 3.919 6.320 -3.077 158 H ALA 19 HN ALA 19 3.061 1.265 0.744 159 HA ALA 19 HA ALA 19 5.162 1.672 2.635 160 HB1 ALA 19 HB1 ALA 19 2.836 0.596 2.874 161 HB2 ALA 19 HB2 ALA 19 4.152 -0.180 3.756 162 HB3 ALA 19 HB3 ALA 19 3.575 -0.875 2.241 163 H ALA 20 HN ALA 20 4.787 -0.749 0.030 164 HA ALA 20 HA ALA 20 7.122 -2.309 0.627 165 HB1 ALA 20 HB1 ALA 20 6.862 -2.845 -1.886 166 HB2 ALA 20 HB2 ALA 20 5.499 -1.726 -1.861 167 HB3 ALA 20 HB3 ALA 20 5.468 -3.177 -0.858 168 H GLY 21 HN GLY 21 6.628 0.550 -1.464 169 HA2 GLY 21 HA2 GLY 21 9.287 0.686 -2.512 170 HA3 GLY 21 HA3 GLY 21 8.170 2.048 -2.405 171 H VAL 22 HN VAL 22 7.822 2.010 0.450 172 HA VAL 22 HA VAL 22 10.042 3.613 1.305 173 HB VAL 22 HB VAL 22 7.869 2.121 2.822 174 HG11 VAL 22 HG11 VAL 22 8.377 4.034 4.518 175 HG12 VAL 22 HG12 VAL 22 9.935 4.133 3.699 176 HG13 VAL 22 HG13 VAL 22 9.448 2.633 4.490 177 HG21 VAL 22 HG21 VAL 22 7.830 5.070 2.503 178 HG22 VAL 22 HG22 VAL 22 6.505 3.910 2.405 179 HG23 VAL 22 HG23 VAL 22 7.573 4.148 1.023 180 H GLY 23 HN GLY 23 9.225 0.176 1.888 181 HA2 GLY 23 HA2 GLY 23 11.367 -0.413 3.682 182 HA3 GLY 23 HA3 GLY 23 10.553 -1.600 2.662 183 H ILE 24 HN ILE 24 11.164 -0.527 0.123 184 HA ILE 24 HA ILE 24 13.841 -1.539 -0.311 185 HB ILE 24 HB ILE 24 11.899 0.090 -1.998 186 HG12 ILE 24 HG12 ILE 24 12.556 -2.790 -2.475 187 HG13 ILE 24 HG13 ILE 24 11.513 -2.404 -1.107 188 HG21 ILE 24 HG21 ILE 24 13.363 -1.071 -3.866 189 HG22 ILE 24 HG22 ILE 24 14.598 -1.079 -2.606 190 HG23 ILE 24 HG23 ILE 24 13.895 0.447 -3.143 191 HD11 ILE 24 HD11 ILE 24 10.053 -1.084 -2.648 192 HD12 ILE 24 HD12 ILE 24 10.127 -2.794 -3.072 193 HD13 ILE 24 HD13 ILE 24 11.055 -1.615 -3.998 194 H TYR 25 HN TYR 25 12.466 1.732 0.055 195 HA TYR 25 HA TYR 25 14.797 3.222 -0.720 196 HB2 TYR 25 HB2 TYR 25 12.531 4.165 -0.490 197 HB3 TYR 25 HB3 TYR 25 12.562 3.840 1.243 198 HD1 TYR 25 HD1 TYR 25 14.303 5.735 -1.465 199 HD2 TYR 25 HD2 TYR 25 13.579 5.350 2.753 200 HE1 TYR 25 HE1 TYR 25 15.463 7.889 -1.067 201 HE2 TYR 25 HE2 TYR 25 14.737 7.506 3.148 202 HH TYR 25 HH TYR 25 15.157 9.720 1.363 203 H LEU 26 HN LEU 26 14.011 1.420 2.171 204 HA LEU 26 HA LEU 26 16.045 2.722 3.855 205 HB2 LEU 26 HB2 LEU 26 13.872 0.743 4.066 206 HB3 LEU 26 HB3 LEU 26 15.279 0.340 5.047 207 HG LEU 26 HG LEU 26 15.113 2.945 5.659 208 HD11 LEU 26 HD11 LEU 26 13.172 3.344 4.196 209 HD12 LEU 26 HD12 LEU 26 12.733 3.586 5.886 210 HD13 LEU 26 HD13 LEU 26 12.260 2.103 5.055 211 HD21 LEU 26 HD21 LEU 26 15.092 1.156 7.306 212 HD22 LEU 26 HD22 LEU 26 13.453 0.697 6.843 213 HD23 LEU 26 HD23 LEU 26 13.743 2.240 7.646 214 H LEU 27 HN LEU 27 15.797 -0.023 1.673 215 HA LEU 27 HA LEU 27 18.612 -0.799 2.372 216 HB2 LEU 27 HB2 LEU 27 16.557 -2.290 2.982 217 HB3 LEU 27 HB3 LEU 27 16.517 -2.658 1.256 218 HG LEU 27 HG LEU 27 19.131 -3.063 1.666 219 HD11 LEU 27 HD11 LEU 27 17.998 -4.015 4.292 220 HD12 LEU 27 HD12 LEU 27 18.683 -2.397 4.146 221 HD13 LEU 27 HD13 LEU 27 19.688 -3.811 3.826 222 HD21 LEU 27 HD21 LEU 27 17.487 -4.713 0.803 223 HD22 LEU 27 HD22 LEU 27 16.976 -5.052 2.457 224 HD23 LEU 27 HD23 LEU 27 18.613 -5.454 1.940 225 HA PRO 28 HA PRO 28 18.122 -0.225 -2.277 226 HB2 PRO 28 HB2 PRO 28 18.565 2.442 -2.697 227 HB3 PRO 28 HB3 PRO 28 16.951 1.760 -2.426 228 HG2 PRO 28 HG2 PRO 28 18.578 3.421 -0.661 229 HG3 PRO 28 HG3 PRO 28 16.847 3.077 -0.611 230 HD2 PRO 28 HD2 PRO 28 18.941 1.912 0.984 231 HD3 PRO 28 HD3 PRO 28 17.199 1.637 1.070 232 H ASN 29 HN ASN 29 20.295 1.834 -0.309 233 HA ASN 29 HA ASN 29 22.602 0.985 -2.019 234 HB2 ASN 29 HB2 ASN 29 21.687 3.473 -1.264 235 HB3 ASN 29 HB3 ASN 29 22.941 3.166 -0.062 236 HD21 ASN 29 HD21 ASN 29 22.454 4.338 -3.208 237 HD22 ASN 29 HD22 ASN 29 24.047 4.191 -3.775 238 H ARG 30 HN ARG 30 21.151 -0.052 0.728 239 HA ARG 30 HA ARG 30 21.880 -1.286 2.591 240 HB2 ARG 30 HB2 ARG 30 23.881 -1.501 0.478 241 HB3 ARG 30 HB3 ARG 30 24.613 -1.677 2.073 242 HG2 ARG 30 HG2 ARG 30 22.085 -3.156 1.360 243 HG3 ARG 30 HG3 ARG 30 23.668 -3.805 0.929 244 HD2 ARG 30 HD2 ARG 30 24.355 -3.641 3.330 245 HD3 ARG 30 HD3 ARG 30 22.707 -3.113 3.729 246 HE ARG 30 HE ARG 30 21.884 -5.296 3.086 247 HH11 ARG 30 HH11 ARG 30 24.092 -6.243 4.793 248 HH12 ARG 30 HH12 ARG 30 24.952 -7.333 3.758 249 HH21 ARG 30 HH21 ARG 30 23.507 -6.109 0.842 250 HH22 ARG 30 HH22 ARG 30 24.620 -7.256 1.509 Start of MODEL 22 1 HA HIS 1 HA HIS 1 -12.294 5.668 14.150 2 HB2 HIS 1 HB2 HIS 1 -13.973 6.314 16.541 3 HB3 HIS 1 HB3 HIS 1 -13.356 4.669 16.391 4 HD1 HIS 1 HD1 HIS 1 -10.757 4.352 16.419 5 HD2 HIS 1 HD2 HIS 1 -12.000 8.278 17.078 6 HE1 HIS 1 HE1 HIS 1 -8.733 5.611 17.277 7 H SER 2 HN SER 2 -13.993 5.450 12.158 8 HA SER 2 HA SER 2 -16.033 3.365 12.830 9 HB2 SER 2 HB2 SER 2 -16.899 4.003 10.551 10 HB3 SER 2 HB3 SER 2 -16.862 5.345 11.691 11 HG SER 2 HG SER 2 -15.956 5.740 9.531 12 H VAL 3 HN VAL 3 -13.034 2.923 12.500 13 HA VAL 3 HA VAL 3 -11.570 1.424 11.418 14 HB VAL 3 HB VAL 3 -14.159 -0.048 10.836 15 HG11 VAL 3 HG11 VAL 3 -11.307 -0.893 11.412 16 HG12 VAL 3 HG12 VAL 3 -12.227 -1.165 9.931 17 HG13 VAL 3 HG13 VAL 3 -12.666 -2.017 11.411 18 HG21 VAL 3 HG21 VAL 3 -14.531 0.320 13.080 19 HG22 VAL 3 HG22 VAL 3 -12.826 0.622 13.420 20 HG23 VAL 3 HG23 VAL 3 -13.409 -1.033 13.233 21 H SER 4 HN SER 4 -12.177 3.579 9.750 22 HA SER 4 HA SER 4 -13.053 2.584 7.124 23 HB2 SER 4 HB2 SER 4 -13.352 4.924 8.304 24 HB3 SER 4 HB3 SER 4 -11.755 5.242 7.632 25 HG SER 4 HG SER 4 -12.554 4.971 5.606 26 H HIS 5 HN HIS 5 -10.074 2.897 8.826 27 HA HIS 5 HA HIS 5 -8.502 2.663 6.287 28 HB2 HIS 5 HB2 HIS 5 -8.106 3.850 8.981 29 HB3 HIS 5 HB3 HIS 5 -6.685 3.080 8.275 30 HD1 HIS 5 HD1 HIS 5 -5.983 3.955 5.832 31 HD2 HIS 5 HD2 HIS 5 -8.746 6.326 7.860 32 HE1 HIS 5 HE1 HIS 5 -6.018 6.189 4.641 33 H ALA 6 HN ALA 6 -10.000 0.417 7.530 34 HA ALA 6 HA ALA 6 -7.798 -1.537 7.644 35 HB1 ALA 6 HB1 ALA 6 -7.899 -0.645 9.937 36 HB2 ALA 6 HB2 ALA 6 -8.473 -2.312 9.915 37 HB3 ALA 6 HB3 ALA 6 -9.628 -0.983 10.006 38 H ARG 7 HN ARG 7 -9.984 -1.197 5.824 39 HA ARG 7 HA ARG 7 -11.206 -3.848 5.958 40 HB2 ARG 7 HB2 ARG 7 -12.510 -1.530 7.112 41 HB3 ARG 7 HB3 ARG 7 -13.471 -2.164 5.777 42 HG2 ARG 7 HG2 ARG 7 -13.738 -4.257 6.786 43 HG3 ARG 7 HG3 ARG 7 -12.330 -4.045 7.826 44 HD2 ARG 7 HD2 ARG 7 -13.482 -2.672 9.334 45 HD3 ARG 7 HD3 ARG 7 -14.689 -2.191 8.125 46 HE ARG 7 HE ARG 7 -14.587 -4.856 9.472 47 HH11 ARG 7 HH11 ARG 7 -15.699 -4.903 6.662 48 HH12 ARG 7 HH12 ARG 7 -17.393 -4.681 6.949 49 HH21 ARG 7 HH21 ARG 7 -16.957 -3.532 10.200 50 HH22 ARG 7 HH22 ARG 7 -18.108 -3.901 8.960 51 HA PRO 8 HA PRO 8 -12.625 -1.741 1.932 52 HB2 PRO 8 HB2 PRO 8 -12.335 0.962 1.626 53 HB3 PRO 8 HB3 PRO 8 -13.776 0.220 2.347 54 HG2 PRO 8 HG2 PRO 8 -11.477 1.558 3.666 55 HG3 PRO 8 HG3 PRO 8 -13.193 1.566 4.100 56 HD2 PRO 8 HD2 PRO 8 -11.286 0.044 5.350 57 HD3 PRO 8 HD3 PRO 8 -13.018 -0.343 5.322 58 H ARG 9 HN ARG 9 -11.332 -1.697 0.089 59 HA ARG 9 HA ARG 9 -8.420 -1.155 0.509 60 HB2 ARG 9 HB2 ARG 9 -8.163 -2.731 -1.396 61 HB3 ARG 9 HB3 ARG 9 -9.119 -3.445 -0.100 62 HG2 ARG 9 HG2 ARG 9 -11.096 -3.341 -1.306 63 HG3 ARG 9 HG3 ARG 9 -10.562 -1.964 -2.268 64 HD2 ARG 9 HD2 ARG 9 -10.050 -3.432 -3.921 65 HD3 ARG 9 HD3 ARG 9 -8.757 -4.057 -2.879 66 HE ARG 9 HE ARG 9 -11.524 -5.066 -2.436 67 HH11 ARG 9 HH21 ARG 9 -9.523 -5.864 -4.839 68 HH12 ARG 9 HH22 ARG 9 -9.068 -7.434 -4.268 69 HH21 ARG 9 HH11 ARG 9 -10.413 -6.961 -1.097 70 HH22 ARG 9 HH12 ARG 9 -9.575 -8.058 -2.144 71 H TRP 10 HN TRP 10 -8.199 -1.228 -2.558 72 HA TRP 10 HA TRP 10 -8.131 0.290 -4.346 73 HB2 TRP 10 HB2 TRP 10 -10.687 0.660 -2.983 74 HB3 TRP 10 HB3 TRP 10 -10.144 2.151 -3.750 75 HD1 TRP 10 HD1 TRP 10 -11.172 -1.434 -4.536 76 HE1 TRP 10 HE1 TRP 10 -11.597 -1.644 -7.070 77 HE3 TRP 10 HE3 TRP 10 -9.522 3.142 -6.089 78 HZ2 TRP 10 HZ2 TRP 10 -11.280 -0.077 -9.442 79 HZ3 TRP 10 HZ3 TRP 10 -9.593 3.757 -8.488 80 HH2 TRP 10 HH2 TRP 10 -10.470 2.154 -10.165 81 H PHE 11 HN PHE 11 -9.313 2.692 -1.980 82 HA PHE 11 HA PHE 11 -7.166 4.524 -2.546 83 HB2 PHE 11 HB2 PHE 11 -8.250 5.894 -0.942 84 HB3 PHE 11 HB3 PHE 11 -9.552 4.900 -1.586 85 HD1 PHE 11 HD2 PHE 11 -10.531 3.080 -0.253 86 HD2 PHE 11 HD1 PHE 11 -7.397 5.562 1.320 87 HE1 PHE 11 HE2 PHE 11 -11.004 2.237 2.027 88 HE2 PHE 11 HE1 PHE 11 -7.874 4.717 3.601 89 HZ PHE 11 HZ PHE 11 -9.677 3.055 3.954 90 H TRP 12 HN TRP 12 -7.611 2.016 -0.079 91 HA TRP 12 HA TRP 12 -5.183 2.778 1.390 92 HB2 TRP 12 HB2 TRP 12 -7.034 1.887 2.636 93 HB3 TRP 12 HB3 TRP 12 -7.202 0.526 1.531 94 HD1 TRP 12 HD1 TRP 12 -5.797 -1.582 1.986 95 HE1 TRP 12 HE1 TRP 12 -4.066 -2.245 3.775 96 HE3 TRP 12 HE3 TRP 12 -5.050 2.951 4.210 97 HZ2 TRP 12 HZ2 TRP 12 -2.562 -1.014 5.878 98 HZ3 TRP 12 HZ3 TRP 12 -3.466 3.179 6.103 99 HH2 TRP 12 HH2 TRP 12 -2.223 1.203 6.938 100 H PHE 13 HN PHE 13 -6.033 0.703 -1.252 101 HA PHE 13 HA PHE 13 -3.931 -1.226 -1.113 102 HB2 PHE 13 HB2 PHE 13 -6.070 -1.003 -2.612 103 HB3 PHE 13 HB3 PHE 13 -5.009 -0.086 -3.681 104 HD1 PHE 13 HD1 PHE 13 -5.379 -3.352 -1.927 105 HD2 PHE 13 HD2 PHE 13 -3.436 -1.176 -5.078 106 HE1 PHE 13 HE1 PHE 13 -4.440 -5.472 -2.809 107 HE2 PHE 13 HE2 PHE 13 -2.496 -3.296 -5.962 108 HZ PHE 13 HZ PHE 13 -2.997 -5.443 -4.826 109 H SER 14 HN SER 14 -4.101 1.974 -2.609 110 HA SER 14 HA SER 14 -1.483 1.966 -3.793 111 HB2 SER 14 HB2 SER 14 -3.622 3.905 -3.111 112 HB3 SER 14 HB3 SER 14 -2.008 4.590 -3.281 113 HG SER 14 HG SER 14 -3.367 4.374 -5.246 114 H LEU 15 HN LEU 15 -2.704 2.831 -0.613 115 HA LEU 15 HA LEU 15 -0.320 4.022 0.465 116 HB2 LEU 15 HB2 LEU 15 -2.748 3.999 1.326 117 HB3 LEU 15 HB3 LEU 15 -2.398 2.386 1.949 118 HG LEU 15 HG LEU 15 -0.445 4.542 2.604 119 HD11 LEU 15 HD11 LEU 15 -3.161 4.279 3.934 120 HD12 LEU 15 HD12 LEU 15 -2.616 5.653 2.970 121 HD13 LEU 15 HD13 LEU 15 -1.834 5.289 4.508 122 HD21 LEU 15 HD21 LEU 15 -1.505 1.992 3.758 123 HD22 LEU 15 HD22 LEU 15 -0.873 3.200 4.877 124 HD23 LEU 15 HD23 LEU 15 0.163 2.547 3.608 125 H LEU 16 HN LEU 16 -1.532 0.664 0.375 126 HA LEU 16 HA LEU 16 0.550 -0.539 1.932 127 HB2 LEU 16 HB2 LEU 16 -1.744 -1.430 1.138 128 HB3 LEU 16 HB3 LEU 16 -0.932 -1.806 -0.380 129 HG LEU 16 HG LEU 16 0.570 -2.722 1.967 130 HD11 LEU 16 HD11 LEU 16 -0.927 -4.477 2.653 131 HD12 LEU 16 HD12 LEU 16 -2.080 -4.070 1.381 132 HD13 LEU 16 HD13 LEU 16 -1.836 -2.968 2.736 133 HD21 LEU 16 HD21 LEU 16 -0.575 -4.342 -0.316 134 HD22 LEU 16 HD22 LEU 16 0.899 -4.643 0.604 135 HD23 LEU 16 HD23 LEU 16 0.828 -3.298 -0.536 136 H LEU 17 HN LEU 17 0.221 0.045 -1.539 137 HA LEU 17 HA LEU 17 2.651 -1.223 -2.381 138 HB2 LEU 17 HB2 LEU 17 0.576 -0.309 -3.685 139 HB3 LEU 17 HB3 LEU 17 1.444 1.225 -3.663 140 HG LEU 17 HG LEU 17 3.090 -1.089 -4.463 141 HD11 LEU 17 HD11 LEU 17 2.088 -1.543 -6.531 142 HD12 LEU 17 HD12 LEU 17 1.137 -0.058 -6.506 143 HD13 LEU 17 HD13 LEU 17 0.689 -1.409 -5.464 144 HD21 LEU 17 HD21 LEU 17 2.602 1.449 -6.009 145 HD22 LEU 17 HD22 LEU 17 4.082 0.499 -5.879 146 HD23 LEU 17 HD23 LEU 17 3.546 1.488 -4.521 147 H LEU 18 HN LEU 18 1.882 1.997 -1.212 148 HA LEU 18 HA LEU 18 4.454 3.215 -1.672 149 HB2 LEU 18 HB2 LEU 18 1.941 4.018 -0.920 150 HB3 LEU 18 HB3 LEU 18 2.801 4.120 0.613 151 HG LEU 18 HG LEU 18 2.916 6.260 -0.604 152 HD11 LEU 18 HD11 LEU 18 4.874 5.290 0.778 153 HD12 LEU 18 HD12 LEU 18 5.226 6.639 -0.300 154 HD13 LEU 18 HD13 LEU 18 5.649 4.996 -0.779 155 HD21 LEU 18 HD21 LEU 18 3.926 6.458 -2.762 156 HD22 LEU 18 HD22 LEU 18 2.788 5.117 -2.890 157 HD23 LEU 18 HD23 LEU 18 4.513 4.796 -2.719 158 H ALA 19 HN ALA 19 3.039 1.392 0.997 159 HA ALA 19 HA ALA 19 5.099 1.834 2.953 160 HB1 ALA 19 HB1 ALA 19 2.720 0.824 3.141 161 HB2 ALA 19 HB2 ALA 19 3.986 0.082 4.118 162 HB3 ALA 19 HB3 ALA 19 3.464 -0.689 2.621 163 H ALA 20 HN ALA 20 4.685 -0.625 0.400 164 HA ALA 20 HA ALA 20 6.950 -2.260 1.065 165 HB1 ALA 20 HB1 ALA 20 5.184 -1.736 -1.297 166 HB2 ALA 20 HB2 ALA 20 5.484 -3.248 -0.441 167 HB3 ALA 20 HB3 ALA 20 6.680 -2.626 -1.579 168 H GLY 21 HN GLY 21 6.587 0.631 -0.992 169 HA2 GLY 21 HA2 GLY 21 9.278 0.620 -2.023 170 HA3 GLY 21 HA3 GLY 21 8.194 2.014 -2.006 171 H VAL 22 HN VAL 22 7.764 2.066 0.857 172 HA VAL 22 HA VAL 22 9.968 3.675 1.721 173 HB VAL 22 HB VAL 22 7.780 2.186 3.218 174 HG11 VAL 22 HG11 VAL 22 9.641 4.389 4.166 175 HG12 VAL 22 HG12 VAL 22 9.596 2.732 4.767 176 HG13 VAL 22 HG13 VAL 22 8.231 3.810 5.053 177 HG21 VAL 22 HG21 VAL 22 7.618 4.317 1.450 178 HG22 VAL 22 HG22 VAL 22 7.681 5.114 3.021 179 HG23 VAL 22 HG23 VAL 22 6.423 3.925 2.685 180 H GLY 23 HN GLY 23 9.187 0.234 2.254 181 HA2 GLY 23 HA2 GLY 23 11.340 -0.315 4.075 182 HA3 GLY 23 HA3 GLY 23 10.478 -1.523 3.121 183 H ILE 24 HN ILE 24 11.041 -0.733 0.525 184 HA ILE 24 HA ILE 24 13.741 -1.705 0.161 185 HB ILE 24 HB ILE 24 11.447 -1.545 -1.330 186 HG12 ILE 24 HG12 ILE 24 13.046 -2.165 -3.290 187 HG13 ILE 24 HG13 ILE 24 14.327 -2.007 -2.089 188 HG21 ILE 24 HG21 ILE 24 11.871 0.891 -1.770 189 HG22 ILE 24 HG22 ILE 24 11.805 -0.087 -3.234 190 HG23 ILE 24 HG23 ILE 24 13.363 0.437 -2.594 191 HD11 ILE 24 HD11 ILE 24 11.882 -3.762 -1.733 192 HD12 ILE 24 HD12 ILE 24 13.292 -3.688 -0.678 193 HD13 ILE 24 HD13 ILE 24 13.443 -4.349 -2.306 194 H TYR 25 HN TYR 25 12.332 1.537 0.370 195 HA TYR 25 HA TYR 25 14.527 3.018 -0.753 196 HB2 TYR 25 HB2 TYR 25 12.185 3.819 -0.232 197 HB3 TYR 25 HB3 TYR 25 12.628 3.823 1.475 198 HD1 TYR 25 HD2 TYR 25 13.295 5.364 -1.824 199 HD2 TYR 25 HD1 TYR 25 14.122 5.488 2.389 200 HE1 TYR 25 HE2 TYR 25 14.343 7.594 -2.095 201 HE2 TYR 25 HE1 TYR 25 15.170 7.719 2.118 202 HH TYR 25 HH TYR 25 16.341 8.909 -0.341 203 H LEU 26 HN LEU 26 14.114 1.364 2.294 204 HA LEU 26 HA LEU 26 16.271 2.814 3.679 205 HB2 LEU 26 HB2 LEU 26 14.584 0.358 4.257 206 HB3 LEU 26 HB3 LEU 26 15.799 0.973 5.377 207 HG LEU 26 HG LEU 26 13.762 2.889 4.304 208 HD11 LEU 26 HD11 LEU 26 12.630 0.708 5.114 209 HD12 LEU 26 HD12 LEU 26 12.081 2.224 5.830 210 HD13 LEU 26 HD13 LEU 26 13.183 1.176 6.722 211 HD21 LEU 26 HD21 LEU 26 15.746 3.463 5.823 212 HD22 LEU 26 HD22 LEU 26 14.903 2.573 7.091 213 HD23 LEU 26 HD23 LEU 26 14.164 4.006 6.378 214 H LEU 27 HN LEU 27 15.933 0.026 1.590 215 HA LEU 27 HA LEU 27 18.821 -0.645 2.046 216 HB2 LEU 27 HB2 LEU 27 16.972 -2.178 3.012 217 HB3 LEU 27 HB3 LEU 27 16.647 -2.621 1.335 218 HG LEU 27 HG LEU 27 19.271 -2.994 1.264 219 HD11 LEU 27 HD11 LEU 27 18.787 -3.779 4.123 220 HD12 LEU 27 HD12 LEU 27 19.267 -2.123 3.752 221 HD13 LEU 27 HD13 LEU 27 20.313 -3.468 3.295 222 HD21 LEU 27 HD21 LEU 27 17.312 -4.889 2.603 223 HD22 LEU 27 HD22 LEU 27 18.876 -5.364 1.940 224 HD23 LEU 27 HD23 LEU 27 17.615 -4.754 0.870 225 HA PRO 28 HA PRO 28 17.769 -0.376 -2.534 226 HB2 PRO 28 HB2 PRO 28 18.050 2.274 -3.149 227 HB3 PRO 28 HB3 PRO 28 16.509 1.559 -2.641 228 HG2 PRO 28 HG2 PRO 28 18.277 3.372 -1.188 229 HG3 PRO 28 HG3 PRO 28 16.580 2.979 -0.902 230 HD2 PRO 28 HD2 PRO 28 18.899 1.973 0.477 231 HD3 PRO 28 HD3 PRO 28 17.193 1.653 0.800 232 H ASN 29 HN ASN 29 20.086 1.859 -0.956 233 HA ASN 29 HA ASN 29 22.191 1.020 -2.914 234 HB2 ASN 29 HB2 ASN 29 21.341 3.503 -1.670 235 HB3 ASN 29 HB3 ASN 29 23.048 3.201 -1.340 236 HD21 ASN 29 HD21 ASN 29 20.684 3.536 -4.010 237 HD22 ASN 29 HD22 ASN 29 21.842 3.900 -5.196 238 H ARG 30 HN ARG 30 21.473 1.404 0.553 239 HA ARG 30 HA ARG 30 24.086 0.477 1.455 240 HB2 ARG 30 HB2 ARG 30 22.742 1.986 2.797 241 HB3 ARG 30 HB3 ARG 30 21.374 0.874 2.761 242 HG2 ARG 30 HG2 ARG 30 23.874 -0.310 3.793 243 HG3 ARG 30 HG3 ARG 30 23.222 0.992 4.787 244 HD2 ARG 30 HD2 ARG 30 21.523 -1.323 3.799 245 HD3 ARG 30 HD3 ARG 30 22.333 -1.315 5.379 246 HE ARG 30 HE ARG 30 20.085 0.437 4.582 247 HH11 ARG 30 HH21 ARG 30 20.010 -0.985 7.156 248 HH12 ARG 30 HH22 ARG 30 20.504 0.222 8.294 249 HH21 ARG 30 HH11 ARG 30 21.874 2.311 5.875 250 HH22 ARG 30 HH12 ARG 30 21.562 2.099 7.565 Start of MODEL 23 1 HA HIS 1 HA HIS 1 -7.233 10.995 -8.188 2 HB2 HIS 1 HB2 HIS 1 -7.554 11.661 -10.905 3 HB3 HIS 1 HB3 HIS 1 -9.157 11.861 -10.197 4 HD1 HIS 1 HD1 HIS 1 -5.714 13.288 -10.173 5 HD2 HIS 1 HD2 HIS 1 -9.286 13.833 -8.093 6 HE1 HIS 1 HE1 HIS 1 -5.464 15.446 -8.872 7 H SER 2 HN SER 2 -9.884 11.804 -8.034 8 HA SER 2 HA SER 2 -12.034 11.151 -7.352 9 HB2 SER 2 HB2 SER 2 -11.669 9.858 -9.628 10 HB3 SER 2 HB3 SER 2 -11.561 8.447 -8.579 11 HG SER 2 HG SER 2 -13.716 8.908 -9.280 12 H VAL 3 HN VAL 3 -11.359 11.137 -5.148 13 HA VAL 3 HA VAL 3 -10.419 8.562 -3.992 14 HB VAL 3 HB VAL 3 -10.837 11.318 -2.779 15 HG11 VAL 3 HG11 VAL 3 -9.961 8.709 -1.704 16 HG12 VAL 3 HG12 VAL 3 -10.605 10.116 -0.859 17 HG13 VAL 3 HG13 VAL 3 -8.900 10.060 -1.306 18 HG21 VAL 3 HG21 VAL 3 -9.148 11.292 -4.600 19 HG22 VAL 3 HG22 VAL 3 -8.312 9.967 -3.793 20 HG23 VAL 3 HG23 VAL 3 -8.395 11.553 -3.027 21 H SER 4 HN SER 4 -13.331 9.376 -4.938 22 HA SER 4 HA SER 4 -14.998 9.355 -2.591 23 HB2 SER 4 HB2 SER 4 -15.240 9.529 -5.412 24 HB3 SER 4 HB3 SER 4 -16.248 8.176 -4.907 25 HG SER 4 HG SER 4 -17.607 9.642 -4.276 26 H HIS 5 HN HIS 5 -13.431 6.860 -4.445 27 HA HIS 5 HA HIS 5 -14.879 4.721 -2.936 28 HB2 HIS 5 HB2 HIS 5 -13.114 4.666 -5.408 29 HB3 HIS 5 HB3 HIS 5 -13.949 3.273 -4.727 30 HD1 HIS 5 HD1 HIS 5 -16.722 3.997 -4.303 31 HD2 HIS 5 HD2 HIS 5 -14.610 5.692 -7.474 32 HE1 HIS 5 HE1 HIS 5 -18.453 4.828 -5.954 33 H ALA 6 HN ALA 6 -12.790 6.372 -1.696 34 HA ALA 6 HA ALA 6 -10.865 6.123 -0.367 35 HB1 ALA 6 HB1 ALA 6 -11.007 4.188 0.849 36 HB2 ALA 6 HB2 ALA 6 -10.961 3.169 -0.589 37 HB3 ALA 6 HB3 ALA 6 -12.474 3.926 -0.094 38 H ARG 7 HN ARG 7 -9.898 6.875 -2.615 39 HA ARG 7 HA ARG 7 -8.553 5.170 -4.407 40 HB2 ARG 7 HB2 ARG 7 -8.856 7.853 -4.043 41 HB3 ARG 7 HB3 ARG 7 -7.157 7.663 -3.613 42 HG2 ARG 7 HG2 ARG 7 -6.934 6.298 -5.781 43 HG3 ARG 7 HG3 ARG 7 -8.512 6.956 -6.218 44 HD2 ARG 7 HD2 ARG 7 -7.210 8.635 -7.122 45 HD3 ARG 7 HD3 ARG 7 -7.250 9.244 -5.456 46 HE ARG 7 HE ARG 7 -4.973 7.854 -6.729 47 HH11 ARG 7 HH11 ARG 7 -4.933 10.393 -4.995 48 HH12 ARG 7 HH12 ARG 7 -4.190 9.790 -3.552 49 HH21 ARG 7 HH21 ARG 7 -4.694 6.449 -4.376 50 HH22 ARG 7 HH22 ARG 7 -4.056 7.548 -3.200 51 HA PRO 8 HA PRO 8 -4.637 5.322 -1.625 52 HB2 PRO 8 HB2 PRO 8 -4.927 6.161 0.965 53 HB3 PRO 8 HB3 PRO 8 -4.518 7.258 -0.369 54 HG2 PRO 8 HG2 PRO 8 -7.146 6.776 0.947 55 HG3 PRO 8 HG3 PRO 8 -6.428 8.293 0.382 56 HD2 PRO 8 HD2 PRO 8 -8.343 6.953 -1.000 57 HD3 PRO 8 HD3 PRO 8 -7.111 7.965 -1.781 58 H ARG 9 HN ARG 9 -7.771 4.434 -0.330 59 HA ARG 9 HA ARG 9 -6.637 2.265 1.349 60 HB2 ARG 9 HB2 ARG 9 -9.313 3.558 0.879 61 HB3 ARG 9 HB3 ARG 9 -9.250 1.964 1.630 62 HG2 ARG 9 HG2 ARG 9 -7.574 2.918 3.275 63 HG3 ARG 9 HG3 ARG 9 -7.947 4.511 2.616 64 HD2 ARG 9 HD2 ARG 9 -10.468 3.625 3.067 65 HD3 ARG 9 HD3 ARG 9 -9.606 2.756 4.353 66 HE ARG 9 HE ARG 9 -8.577 5.065 4.900 67 HH11 ARG 9 HH11 ARG 9 -11.407 4.673 5.909 68 HH12 ARG 9 HH12 ARG 9 -12.169 6.137 5.386 69 HH21 ARG 9 HH21 ARG 9 -9.658 6.948 3.126 70 HH22 ARG 9 HH22 ARG 9 -11.175 7.431 3.806 71 H TRP 10 HN TRP 10 -9.660 1.592 -0.305 72 HA TRP 10 HA TRP 10 -10.194 -0.230 -1.737 73 HB2 TRP 10 HB2 TRP 10 -8.867 1.522 -3.158 74 HB3 TRP 10 HB3 TRP 10 -7.526 0.384 -3.030 75 HD1 TRP 10 HD1 TRP 10 -11.176 0.523 -4.267 76 HE1 TRP 10 HE1 TRP 10 -11.463 -1.228 -6.137 77 HE3 TRP 10 HE3 TRP 10 -6.570 -1.674 -4.132 78 HZ2 TRP 10 HZ2 TRP 10 -9.938 -3.288 -7.408 79 HZ3 TRP 10 HZ3 TRP 10 -6.012 -3.525 -5.681 80 HH2 TRP 10 HH2 TRP 10 -7.689 -4.335 -7.318 81 H PHE 11 HN PHE 11 -9.484 -1.276 0.502 82 HA PHE 11 HA PHE 11 -8.465 -3.124 1.571 83 HB2 PHE 11 HB2 PHE 11 -8.561 -3.698 -1.208 84 HB3 PHE 11 HB3 PHE 11 -6.923 -4.102 -0.694 85 HD1 PHE 11 HD2 PHE 11 -6.518 -5.832 0.994 86 HD2 PHE 11 HD1 PHE 11 -10.498 -4.871 -0.301 87 HE1 PHE 11 HE2 PHE 11 -7.362 -7.912 2.047 88 HE2 PHE 11 HE1 PHE 11 -11.343 -6.951 0.750 89 HZ PHE 11 HZ PHE 11 -9.775 -8.472 1.924 90 H TRP 12 HN TRP 12 -7.275 -0.420 1.154 91 HA TRP 12 HA TRP 12 -5.272 0.770 1.395 92 HB2 TRP 12 HB2 TRP 12 -5.103 -1.700 3.079 93 HB3 TRP 12 HB3 TRP 12 -3.732 -0.594 3.032 94 HD1 TRP 12 HD1 TRP 12 -4.369 2.059 3.583 95 HE1 TRP 12 HE1 TRP 12 -6.038 2.979 5.321 96 HE3 TRP 12 HE3 TRP 12 -7.220 -2.104 4.348 97 HZ2 TRP 12 HZ2 TRP 12 -8.291 2.065 6.831 98 HZ3 TRP 12 HZ3 TRP 12 -9.122 -2.053 5.935 99 HH2 TRP 12 HH2 TRP 12 -9.661 0.025 7.177 100 H PHE 13 HN PHE 13 -5.382 -0.530 -1.042 101 HA PHE 13 HA PHE 13 -2.938 -2.054 -1.548 102 HB2 PHE 13 HB2 PHE 13 -5.044 -2.401 -2.791 103 HB3 PHE 13 HB3 PHE 13 -4.994 -0.728 -3.348 104 HD1 PHE 13 HD2 PHE 13 -3.379 -4.049 -3.601 105 HD2 PHE 13 HD1 PHE 13 -3.473 -0.021 -5.093 106 HE1 PHE 13 HE2 PHE 13 -1.942 -4.721 -5.507 107 HE2 PHE 13 HE1 PHE 13 -2.036 -0.695 -6.999 108 HZ PHE 13 HZ PHE 13 -1.270 -3.044 -7.206 109 H SER 14 HN SER 14 -4.140 1.184 -2.377 110 HA SER 14 HA SER 14 -1.732 2.143 -3.611 111 HB2 SER 14 HB2 SER 14 -4.071 3.481 -2.233 112 HB3 SER 14 HB3 SER 14 -2.815 4.389 -3.071 113 HG SER 14 HG SER 14 -4.917 3.458 -4.165 114 H LEU 15 HN LEU 15 -2.891 2.092 -0.292 115 HA LEU 15 HA LEU 15 -0.826 3.746 0.865 116 HB2 LEU 15 HB2 LEU 15 -3.126 2.987 1.775 117 HB3 LEU 15 HB3 LEU 15 -2.332 1.470 2.190 118 HG LEU 15 HG LEU 15 -2.451 3.251 4.035 119 HD11 LEU 15 HD11 LEU 15 -0.690 1.260 3.596 120 HD12 LEU 15 HD12 LEU 15 -0.585 2.331 4.993 121 HD13 LEU 15 HD13 LEU 15 0.421 2.630 3.576 122 HD21 LEU 15 HD21 LEU 15 -0.060 4.468 2.676 123 HD22 LEU 15 HD22 LEU 15 -1.099 5.155 3.924 124 HD23 LEU 15 HD23 LEU 15 -1.678 5.036 2.262 125 H LEU 16 HN LEU 16 -1.168 0.223 0.356 126 HA LEU 16 HA LEU 16 1.259 -0.572 1.660 127 HB2 LEU 16 HB2 LEU 16 -0.817 -1.908 0.787 128 HB3 LEU 16 HB3 LEU 16 0.063 -1.950 -0.739 129 HG LEU 16 HG LEU 16 1.594 -2.688 1.709 130 HD11 LEU 16 HD11 LEU 16 -0.525 -4.458 0.452 131 HD12 LEU 16 HD12 LEU 16 -0.490 -3.881 2.118 132 HD13 LEU 16 HD13 LEU 16 0.725 -5.030 1.558 133 HD21 LEU 16 HD21 LEU 16 1.525 -3.308 -1.213 134 HD22 LEU 16 HD22 LEU 16 2.159 -4.552 -0.134 135 HD23 LEU 16 HD23 LEU 16 2.903 -2.953 -0.173 136 H LEU 17 HN LEU 17 0.537 0.383 -1.662 137 HA LEU 17 HA LEU 17 3.077 -0.172 -2.842 138 HB2 LEU 17 HB2 LEU 17 0.762 0.534 -3.834 139 HB3 LEU 17 HB3 LEU 17 1.335 2.181 -3.567 140 HG LEU 17 HG LEU 17 3.280 0.388 -4.891 141 HD11 LEU 17 HD11 LEU 17 0.969 -0.228 -5.840 142 HD12 LEU 17 HD12 LEU 17 2.193 0.284 -7.002 143 HD13 LEU 17 HD13 LEU 17 0.932 1.408 -6.498 144 HD21 LEU 17 HD21 LEU 17 2.263 3.047 -5.873 145 HD22 LEU 17 HD22 LEU 17 3.886 2.368 -5.994 146 HD23 LEU 17 HD23 LEU 17 3.298 2.975 -4.447 147 H LEU 18 HN LEU 18 1.850 2.594 -1.053 148 HA LEU 18 HA LEU 18 4.147 4.312 -1.425 149 HB2 LEU 18 HB2 LEU 18 1.683 4.798 -0.698 150 HB3 LEU 18 HB3 LEU 18 2.250 4.377 0.919 151 HG LEU 18 HG LEU 18 3.982 6.263 -0.573 152 HD11 LEU 18 HD11 LEU 18 2.523 8.189 -0.136 153 HD12 LEU 18 HD12 LEU 18 1.269 7.115 0.485 154 HD13 LEU 18 HD13 LEU 18 1.720 7.051 -1.219 155 HD21 LEU 18 HD21 LEU 18 4.353 7.145 1.581 156 HD22 LEU 18 HD22 LEU 18 4.098 5.428 1.894 157 HD23 LEU 18 HD23 LEU 18 2.793 6.579 2.181 158 H ALA 19 HN ALA 19 3.199 1.910 0.966 159 HA ALA 19 HA ALA 19 5.338 2.426 2.857 160 HB1 ALA 19 HB1 ALA 19 3.049 1.167 3.062 161 HB2 ALA 19 HB2 ALA 19 4.434 0.547 3.961 162 HB3 ALA 19 HB3 ALA 19 3.949 -0.221 2.449 163 H ALA 20 HN ALA 20 4.958 0.286 0.043 164 HA ALA 20 HA ALA 20 7.353 -1.268 0.420 165 HB1 ALA 20 HB1 ALA 20 5.624 -2.052 -1.036 166 HB2 ALA 20 HB2 ALA 20 6.972 -1.639 -2.095 167 HB3 ALA 20 HB3 ALA 20 5.603 -0.538 -1.941 168 H GLY 21 HN GLY 21 6.689 1.780 -1.325 169 HA2 GLY 21 HA2 GLY 21 9.275 2.038 -2.542 170 HA3 GLY 21 HA3 GLY 21 8.154 3.369 -2.246 171 H VAL 22 HN VAL 22 7.939 3.365 0.503 172 HA VAL 22 HA VAL 22 10.355 4.685 1.354 173 HB VAL 22 HB VAL 22 7.961 3.554 2.851 174 HG11 VAL 22 HG11 VAL 22 10.109 5.498 3.759 175 HG12 VAL 22 HG12 VAL 22 9.824 3.880 4.403 176 HG13 VAL 22 HG13 VAL 22 8.626 5.150 4.650 177 HG21 VAL 22 HG21 VAL 22 7.595 5.356 1.086 178 HG22 VAL 22 HG22 VAL 22 8.579 6.422 2.089 179 HG23 VAL 22 HG23 VAL 22 7.059 5.777 2.711 180 H GLY 23 HN GLY 23 9.045 1.410 1.926 181 HA2 GLY 23 HA2 GLY 23 11.060 0.556 3.780 182 HA3 GLY 23 HA3 GLY 23 10.050 -0.516 2.811 183 H ILE 24 HN ILE 24 10.807 0.244 0.221 184 HA ILE 24 HA ILE 24 13.269 -1.211 -0.132 185 HB ILE 24 HB ILE 24 11.468 0.510 -1.847 186 HG12 ILE 24 HG12 ILE 24 12.276 -2.389 -2.164 187 HG13 ILE 24 HG13 ILE 24 10.950 -1.898 -1.110 188 HG21 ILE 24 HG21 ILE 24 13.488 0.978 -2.944 189 HG22 ILE 24 HG22 ILE 24 12.942 -0.479 -3.774 190 HG23 ILE 24 HG23 ILE 24 14.188 -0.588 -2.532 191 HD11 ILE 24 HD11 ILE 24 10.813 -2.359 -3.882 192 HD12 ILE 24 HD12 ILE 24 10.728 -0.607 -3.699 193 HD13 ILE 24 HD13 ILE 24 9.564 -1.639 -2.867 194 H TYR 25 HN TYR 25 12.541 2.298 0.001 195 HA TYR 25 HA TYR 25 15.155 3.202 -0.799 196 HB2 TYR 25 HB2 TYR 25 12.830 4.418 -0.429 197 HB3 TYR 25 HB3 TYR 25 13.466 4.680 1.196 198 HD1 TYR 25 HD1 TYR 25 15.679 5.852 1.494 199 HD2 TYR 25 HD2 TYR 25 13.690 5.622 -2.307 200 HE1 TYR 25 HE1 TYR 25 17.088 7.707 0.643 201 HE2 TYR 25 HE2 TYR 25 15.098 7.478 -3.157 202 HH TYR 25 HH TYR 25 16.510 9.571 -1.608 203 H LEU 26 HN LEU 26 13.877 1.950 2.221 204 HA LEU 26 HA LEU 26 16.120 2.854 3.878 205 HB2 LEU 26 HB2 LEU 26 13.578 1.391 4.120 206 HB3 LEU 26 HB3 LEU 26 14.849 0.713 5.134 207 HG LEU 26 HG LEU 26 13.615 2.434 6.370 208 HD11 LEU 26 HD11 LEU 26 15.478 3.523 7.253 209 HD12 LEU 26 HD12 LEU 26 16.222 3.753 5.671 210 HD13 LEU 26 HD13 LEU 26 16.231 2.159 6.428 211 HD21 LEU 26 HD21 LEU 26 14.441 4.216 4.058 212 HD22 LEU 26 HD22 LEU 26 13.787 4.820 5.580 213 HD23 LEU 26 HD23 LEU 26 12.798 3.797 4.540 214 H LEU 27 HN LEU 27 15.312 0.100 1.853 215 HA LEU 27 HA LEU 27 17.968 -1.137 2.490 216 HB2 LEU 27 HB2 LEU 27 15.684 -2.130 3.397 217 HB3 LEU 27 HB3 LEU 27 15.540 -2.747 1.750 218 HG LEU 27 HG LEU 27 17.970 -3.608 2.089 219 HD11 LEU 27 HD11 LEU 27 18.607 -4.028 4.405 220 HD12 LEU 27 HD12 LEU 27 17.106 -3.304 4.983 221 HD13 LEU 27 HD13 LEU 27 18.322 -2.299 4.194 222 HD21 LEU 27 HD21 LEU 27 17.136 -5.695 2.839 223 HD22 LEU 27 HD22 LEU 27 15.736 -4.922 2.096 224 HD23 LEU 27 HD23 LEU 27 15.907 -4.937 3.851 225 HA PRO 28 HA PRO 28 17.187 -0.843 -2.108 226 HB2 PRO 28 HB2 PRO 28 18.432 1.509 -2.756 227 HB3 PRO 28 HB3 PRO 28 16.722 1.404 -2.298 228 HG2 PRO 28 HG2 PRO 28 18.951 2.541 -0.819 229 HG3 PRO 28 HG3 PRO 28 17.217 2.714 -0.550 230 HD2 PRO 28 HD2 PRO 28 19.095 0.994 0.831 231 HD3 PRO 28 HD3 PRO 28 17.399 1.319 1.208 232 H ASN 29 HN ASN 29 20.031 -0.301 -0.129 233 HA ASN 29 HA ASN 29 22.054 -0.639 -2.162 234 HB2 ASN 29 HB2 ASN 29 21.985 -1.093 0.840 235 HB3 ASN 29 HB3 ASN 29 23.464 -1.145 -0.120 236 HD21 ASN 29 HD21 ASN 29 21.637 0.933 1.766 237 HD22 ASN 29 HD22 ASN 29 22.143 2.412 1.104 238 H ARG 30 HN ARG 30 20.280 -2.912 -0.074 239 HA ARG 30 HA ARG 30 20.048 -5.252 -0.176 240 HB2 ARG 30 HB2 ARG 30 20.102 -4.235 -2.758 241 HB3 ARG 30 HB3 ARG 30 21.312 -5.517 -2.816 242 HG2 ARG 30 HG2 ARG 30 19.336 -6.673 -3.313 243 HG3 ARG 30 HG3 ARG 30 19.503 -6.939 -1.576 244 HD2 ARG 30 HD2 ARG 30 17.608 -5.765 -1.118 245 HD3 ARG 30 HD3 ARG 30 18.064 -4.452 -2.223 246 HE ARG 30 HE ARG 30 17.268 -5.912 -4.102 247 HH11 ARG 30 HH11 ARG 30 14.871 -5.205 -2.474 248 HH12 ARG 30 HH12 ARG 30 14.132 -6.749 -2.208 249 HH21 ARG 30 HH21 ARG 30 16.986 -8.548 -3.059 250 HH22 ARG 30 HH22 ARG 30 15.336 -8.653 -2.543 Start of MODEL 24 1 HA HIS 1 HA HIS 1 -18.570 -2.661 15.251 2 HB2 HIS 1 HB2 HIS 1 -20.148 -0.465 13.877 3 HB3 HIS 1 HB3 HIS 1 -20.177 -2.140 13.329 4 HD1 HIS 1 HD1 HIS 1 -21.113 -3.933 15.087 5 HD2 HIS 1 HD2 HIS 1 -21.751 0.058 16.108 6 HE1 HIS 1 HE1 HIS 1 -22.864 -3.932 16.916 7 H SER 2 HN SER 2 -16.893 -3.450 14.023 8 HA SER 2 HA SER 2 -15.819 -1.720 11.812 9 HB2 SER 2 HB2 SER 2 -14.556 -2.359 14.142 10 HB3 SER 2 HB3 SER 2 -14.045 -3.703 13.125 11 HG SER 2 HG SER 2 -13.085 -2.312 11.755 12 H VAL 3 HN VAL 3 -17.857 -4.006 11.797 13 HA VAL 3 HA VAL 3 -16.349 -5.880 9.996 14 HB VAL 3 HB VAL 3 -18.891 -6.413 11.573 15 HG11 VAL 3 HG11 VAL 3 -17.675 -8.810 11.197 16 HG12 VAL 3 HG12 VAL 3 -17.134 -7.964 9.747 17 HG13 VAL 3 HG13 VAL 3 -18.858 -8.143 10.072 18 HG21 VAL 3 HG21 VAL 3 -17.304 -6.086 13.281 19 HG22 VAL 3 HG22 VAL 3 -15.982 -6.729 12.307 20 HG23 VAL 3 HG23 VAL 3 -17.194 -7.820 12.979 21 H SER 4 HN SER 4 -17.236 -3.550 8.825 22 HA SER 4 HA SER 4 -19.940 -3.895 7.724 23 HB2 SER 4 HB2 SER 4 -18.966 -1.684 8.261 24 HB3 SER 4 HB3 SER 4 -17.684 -1.970 7.088 25 HG SER 4 HG SER 4 -19.675 -0.735 6.435 26 H HIS 5 HN HIS 5 -16.608 -4.153 6.590 27 HA HIS 5 HA HIS 5 -17.546 -5.835 4.304 28 HB2 HIS 5 HB2 HIS 5 -15.950 -3.284 4.304 29 HB3 HIS 5 HB3 HIS 5 -15.656 -4.483 3.044 30 HD1 HIS 5 HD1 HIS 5 -18.029 -5.355 1.849 31 HD2 HIS 5 HD2 HIS 5 -18.043 -1.604 3.671 32 HE1 HIS 5 HE1 HIS 5 -20.019 -4.104 0.902 33 H ALA 6 HN ALA 6 -16.145 -6.377 6.937 34 HA ALA 6 HA ALA 6 -14.333 -7.648 7.747 35 HB1 ALA 6 HB1 ALA 6 -13.628 -9.405 6.148 36 HB2 ALA 6 HB2 ALA 6 -14.388 -8.507 4.834 37 HB3 ALA 6 HB3 ALA 6 -15.378 -9.189 6.124 38 H ARG 7 HN ARG 7 -13.528 -5.065 7.292 39 HA ARG 7 HA ARG 7 -11.644 -3.710 6.882 40 HB2 ARG 7 HB2 ARG 7 -10.618 -6.510 7.285 41 HB3 ARG 7 HB3 ARG 7 -9.482 -5.225 6.874 42 HG2 ARG 7 HG2 ARG 7 -10.753 -3.923 8.798 43 HG3 ARG 7 HG3 ARG 7 -11.161 -5.553 9.333 44 HD2 ARG 7 HD2 ARG 7 -8.731 -6.144 9.296 45 HD3 ARG 7 HD3 ARG 7 -8.362 -4.459 8.877 46 HE ARG 7 HE ARG 7 -9.104 -3.779 11.061 47 HH11 ARG 7 HH11 ARG 7 -11.477 -5.461 11.464 48 HH12 ARG 7 HH12 ARG 7 -10.958 -6.609 12.651 49 HH21 ARG 7 HH21 ARG 7 -7.574 -5.983 12.152 50 HH22 ARG 7 HH22 ARG 7 -8.738 -6.906 13.042 51 HA PRO 8 HA PRO 8 -11.759 -4.777 2.362 52 HB2 PRO 8 HB2 PRO 8 -12.659 -2.324 1.537 53 HB3 PRO 8 HB3 PRO 8 -13.744 -3.645 2.018 54 HG2 PRO 8 HG2 PRO 8 -12.862 -1.262 3.567 55 HG3 PRO 8 HG3 PRO 8 -14.450 -2.039 3.501 56 HD2 PRO 8 HD2 PRO 8 -12.696 -2.393 5.548 57 HD3 PRO 8 HD3 PRO 8 -13.885 -3.618 5.060 58 H ARG 9 HN ARG 9 -10.177 -4.134 0.857 59 HA ARG 9 HA ARG 9 -8.073 -2.284 1.908 60 HB2 ARG 9 HB2 ARG 9 -8.128 -4.556 -0.096 61 HB3 ARG 9 HB3 ARG 9 -6.711 -3.538 0.151 62 HG2 ARG 9 HG2 ARG 9 -6.740 -4.144 2.573 63 HG3 ARG 9 HG3 ARG 9 -8.085 -5.239 2.253 64 HD2 ARG 9 HD2 ARG 9 -6.720 -6.599 0.779 65 HD3 ARG 9 HD3 ARG 9 -5.386 -5.434 0.872 66 HE ARG 9 HE ARG 9 -5.222 -5.970 3.308 67 HH11 ARG 9 HH11 ARG 9 -4.465 -8.478 1.928 68 HH12 ARG 9 HH12 ARG 9 -5.490 -9.656 2.674 69 HH21 ARG 9 HH21 ARG 9 -7.679 -7.294 3.993 70 HH22 ARG 9 HH22 ARG 9 -7.319 -8.983 3.849 71 H TRP 10 HN TRP 10 -10.653 -1.638 0.254 72 HA TRP 10 HA TRP 10 -10.283 -0.902 -2.360 73 HB2 TRP 10 HB2 TRP 10 -11.645 1.244 -1.626 74 HB3 TRP 10 HB3 TRP 10 -12.365 -0.352 -1.534 75 HD1 TRP 10 HD1 TRP 10 -9.867 0.358 1.215 76 HE1 TRP 10 HE1 TRP 10 -11.121 0.785 3.422 77 HE3 TRP 10 HE3 TRP 10 -14.649 0.748 -0.544 78 HZ2 TRP 10 HZ2 TRP 10 -13.794 1.242 4.326 79 HZ3 TRP 10 HZ3 TRP 10 -16.526 1.183 1.013 80 HH2 TRP 10 HH2 TRP 10 -16.106 1.430 3.443 81 H PHE 11 HN PHE 11 -9.912 1.907 -0.182 82 HA PHE 11 HA PHE 11 -7.875 3.015 -1.974 83 HB2 PHE 11 HB2 PHE 11 -9.209 3.942 0.588 84 HB3 PHE 11 HB3 PHE 11 -8.083 4.933 -0.339 85 HD1 PHE 11 HD2 PHE 11 -8.620 5.298 -2.855 86 HD2 PHE 11 HD1 PHE 11 -11.492 3.906 0.020 87 HE1 PHE 11 HE2 PHE 11 -10.464 5.983 -4.366 88 HE2 PHE 11 HE1 PHE 11 -13.336 4.590 -1.491 89 HZ PHE 11 HZ PHE 11 -12.822 5.629 -3.683 90 H TRP 12 HN TRP 12 -7.296 0.579 -0.105 91 HA TRP 12 HA TRP 12 -5.060 1.741 1.483 92 HB2 TRP 12 HB2 TRP 12 -6.446 0.396 2.838 93 HB3 TRP 12 HB3 TRP 12 -6.699 -0.785 1.556 94 HD1 TRP 12 HD1 TRP 12 -5.345 -2.908 1.779 95 HE1 TRP 12 HE1 TRP 12 -3.171 -3.605 2.970 96 HE3 TRP 12 HE3 TRP 12 -3.913 1.598 3.708 97 HZ2 TRP 12 HZ2 TRP 12 -1.094 -2.412 4.532 98 HZ3 TRP 12 HZ3 TRP 12 -1.833 1.788 5.042 99 HH2 TRP 12 HH2 TRP 12 -0.423 -0.208 5.456 100 H PHE 13 HN PHE 13 -5.749 -0.244 -1.294 101 HA PHE 13 HA PHE 13 -3.362 -1.742 -1.556 102 HB2 PHE 13 HB2 PHE 13 -5.205 -2.155 -3.020 103 HB3 PHE 13 HB3 PHE 13 -5.268 -0.467 -3.526 104 HD1 PHE 13 HD2 PHE 13 -2.934 -3.406 -3.505 105 HD2 PHE 13 HD1 PHE 13 -4.209 0.173 -5.511 106 HE1 PHE 13 HE2 PHE 13 -1.384 -3.902 -5.375 107 HE2 PHE 13 HE1 PHE 13 -2.658 -0.324 -7.381 108 HZ PHE 13 HZ PHE 13 -1.245 -2.361 -7.313 109 H SER 14 HN SER 14 -4.091 1.530 -2.710 110 HA SER 14 HA SER 14 -1.527 2.088 -3.860 111 HB2 SER 14 HB2 SER 14 -2.368 4.498 -3.481 112 HB3 SER 14 HB3 SER 14 -3.393 3.448 -4.456 113 HG SER 14 HG SER 14 -4.025 4.718 -2.236 114 H LEU 15 HN LEU 15 -2.851 2.533 -0.624 115 HA LEU 15 HA LEU 15 -0.614 3.977 0.499 116 HB2 LEU 15 HB2 LEU 15 -3.174 3.136 1.255 117 HB3 LEU 15 HB3 LEU 15 -2.101 2.242 2.331 118 HG LEU 15 HG LEU 15 -0.936 4.424 2.845 119 HD11 LEU 15 HD11 LEU 15 -2.453 6.458 2.345 120 HD12 LEU 15 HD12 LEU 15 -3.208 5.430 1.128 121 HD13 LEU 15 HD13 LEU 15 -1.491 5.819 1.013 122 HD21 LEU 15 HD21 LEU 15 -3.868 4.017 3.466 123 HD22 LEU 15 HD22 LEU 15 -2.929 5.315 4.204 124 HD23 LEU 15 HD23 LEU 15 -2.477 3.633 4.480 125 H LEU 16 HN LEU 16 -1.465 0.507 0.342 126 HA LEU 16 HA LEU 16 0.742 -0.478 1.884 127 HB2 LEU 16 HB2 LEU 16 -1.478 -1.565 0.947 128 HB3 LEU 16 HB3 LEU 16 -0.464 -1.958 -0.440 129 HG LEU 16 HG LEU 16 0.439 -2.606 2.365 130 HD11 LEU 16 HD11 LEU 16 -1.088 -4.242 2.572 131 HD12 LEU 16 HD12 LEU 16 -0.605 -4.916 1.015 132 HD13 LEU 16 HD13 LEU 16 -1.865 -3.685 1.090 133 HD21 LEU 16 HD21 LEU 16 1.366 -4.561 0.739 134 HD22 LEU 16 HD22 LEU 16 2.236 -3.049 1.003 135 HD23 LEU 16 HD23 LEU 16 1.230 -3.248 -0.432 136 H LEU 17 HN LEU 17 0.356 0.213 -1.555 137 HA LEU 17 HA LEU 17 2.863 -0.811 -2.478 138 HB2 LEU 17 HB2 LEU 17 0.718 0.054 -3.710 139 HB3 LEU 17 HB3 LEU 17 1.500 1.632 -3.599 140 HG LEU 17 HG LEU 17 3.256 -0.546 -4.553 141 HD11 LEU 17 HD11 LEU 17 0.980 -1.044 -5.591 142 HD12 LEU 17 HD12 LEU 17 2.290 -0.747 -6.734 143 HD13 LEU 17 HD13 LEU 17 1.107 0.518 -6.401 144 HD21 LEU 17 HD21 LEU 17 2.655 2.052 -5.947 145 HD22 LEU 17 HD22 LEU 17 4.184 1.179 -5.835 146 HD23 LEU 17 HD23 LEU 17 3.570 2.065 -4.439 147 H LEU 18 HN LEU 18 1.901 2.292 -1.124 148 HA LEU 18 HA LEU 18 4.403 3.670 -1.521 149 HB2 LEU 18 HB2 LEU 18 1.951 4.458 -0.922 150 HB3 LEU 18 HB3 LEU 18 2.503 4.236 0.738 151 HG LEU 18 HG LEU 18 4.240 5.777 -1.161 152 HD11 LEU 18 HD11 LEU 18 1.839 6.923 0.300 153 HD12 LEU 18 HD12 LEU 18 1.965 6.721 -1.447 154 HD13 LEU 18 HD13 LEU 18 3.034 7.847 -0.610 155 HD21 LEU 18 HD21 LEU 18 4.380 7.076 1.161 156 HD22 LEU 18 HD22 LEU 18 5.288 5.586 0.901 157 HD23 LEU 18 HD23 LEU 18 3.766 5.546 1.789 158 H ALA 19 HN ALA 19 3.076 1.675 1.069 159 HA ALA 19 HA ALA 19 5.144 2.124 3.024 160 HB1 ALA 19 HB1 ALA 19 3.530 -0.406 2.626 161 HB2 ALA 19 HB2 ALA 19 2.798 1.076 3.242 162 HB3 ALA 19 HB3 ALA 19 4.094 0.293 4.144 163 H ALA 20 HN ALA 20 4.760 -0.246 0.390 164 HA ALA 20 HA ALA 20 7.047 -1.875 0.988 165 HB1 ALA 20 HB1 ALA 20 6.773 -2.147 -1.665 166 HB2 ALA 20 HB2 ALA 20 5.267 -1.287 -1.346 167 HB3 ALA 20 HB3 ALA 20 5.589 -2.826 -0.548 168 H GLY 21 HN GLY 21 6.645 1.089 -0.954 169 HA2 GLY 21 HA2 GLY 21 9.319 1.151 -2.013 170 HA3 GLY 21 HA3 GLY 21 8.231 2.535 -1.906 171 H VAL 22 HN VAL 22 7.840 2.458 0.949 172 HA VAL 22 HA VAL 22 10.048 4.027 1.870 173 HB VAL 22 HB VAL 22 7.897 2.455 3.338 174 HG11 VAL 22 HG11 VAL 22 9.734 4.669 4.303 175 HG12 VAL 22 HG12 VAL 22 9.696 3.006 4.887 176 HG13 VAL 22 HG13 VAL 22 8.330 4.079 5.192 177 HG21 VAL 22 HG21 VAL 22 7.652 4.614 1.616 178 HG22 VAL 22 HG22 VAL 22 7.717 5.383 3.203 179 HG23 VAL 22 HG23 VAL 22 6.486 4.167 2.862 180 H GLY 23 HN GLY 23 9.223 0.584 2.418 181 HA2 GLY 23 HA2 GLY 23 11.451 -0.018 4.119 182 HA3 GLY 23 HA3 GLY 23 10.534 -1.204 3.190 183 H ILE 24 HN ILE 24 11.005 -0.298 0.580 184 HA ILE 24 HA ILE 24 13.620 -1.386 0.027 185 HB ILE 24 HB ILE 24 11.553 0.167 -1.570 186 HG12 ILE 24 HG12 ILE 24 12.437 -2.723 -1.799 187 HG13 ILE 24 HG13 ILE 24 11.125 -2.212 -0.737 188 HG21 ILE 24 HG21 ILE 24 12.876 -0.699 -3.580 189 HG22 ILE 24 HG22 ILE 24 14.201 -1.005 -2.457 190 HG23 ILE 24 HG23 ILE 24 13.610 0.639 -2.697 191 HD11 ILE 24 HD11 ILE 24 10.105 -2.888 -2.805 192 HD12 ILE 24 HD12 ILE 24 11.263 -1.951 -3.751 193 HD13 ILE 24 HD13 ILE 24 10.052 -1.125 -2.769 194 H TYR 25 HN TYR 25 12.396 1.958 0.350 195 HA TYR 25 HA TYR 25 14.730 3.304 -0.642 196 HB2 TYR 25 HB2 TYR 25 12.387 4.210 -0.086 197 HB3 TYR 25 HB3 TYR 25 12.927 4.260 1.593 198 HD1 TYR 25 HD1 TYR 25 13.449 5.636 -1.795 199 HD2 TYR 25 HD2 TYR 25 14.633 5.827 2.330 200 HE1 TYR 25 HE1 TYR 25 14.623 7.777 -2.230 201 HE2 TYR 25 HE2 TYR 25 15.804 7.968 1.895 202 HH TYR 25 HH TYR 25 15.332 9.919 -0.253 203 H LEU 26 HN LEU 26 14.016 1.718 2.413 204 HA LEU 26 HA LEU 26 16.281 2.885 3.864 205 HB2 LEU 26 HB2 LEU 26 14.288 0.649 4.294 206 HB3 LEU 26 HB3 LEU 26 15.617 0.911 5.422 207 HG LEU 26 HG LEU 26 14.018 3.305 4.657 208 HD11 LEU 26 HD11 LEU 26 12.176 2.796 6.066 209 HD12 LEU 26 HD12 LEU 26 12.982 1.381 6.745 210 HD13 LEU 26 HD13 LEU 26 12.398 1.351 5.081 211 HD21 LEU 26 HD21 LEU 26 14.407 3.817 7.055 212 HD22 LEU 26 HD22 LEU 26 15.915 3.449 6.218 213 HD23 LEU 26 HD23 LEU 26 15.166 2.237 7.258 214 H LEU 27 HN LEU 27 15.701 0.182 1.715 215 HA LEU 27 HA LEU 27 18.556 -0.670 2.027 216 HB2 LEU 27 HB2 LEU 27 16.622 -2.069 3.140 217 HB3 LEU 27 HB3 LEU 27 16.312 -2.605 1.487 218 HG LEU 27 HG LEU 27 18.962 -2.969 1.509 219 HD11 LEU 27 HD11 LEU 27 19.041 -2.059 3.889 220 HD12 LEU 27 HD12 LEU 27 19.810 -3.628 3.652 221 HD13 LEU 27 HD13 LEU 27 18.211 -3.532 4.387 222 HD21 LEU 27 HD21 LEU 27 17.014 -4.881 2.837 223 HD22 LEU 27 HD22 LEU 27 18.541 -5.318 2.069 224 HD23 LEU 27 HD23 LEU 27 17.212 -4.690 1.095 225 HA PRO 28 HA PRO 28 17.223 -0.321 -2.432 226 HB2 PRO 28 HB2 PRO 28 18.002 2.231 -3.058 227 HB3 PRO 28 HB3 PRO 28 16.394 1.827 -2.429 228 HG2 PRO 28 HG2 PRO 28 18.566 3.251 -1.126 229 HG3 PRO 28 HG3 PRO 28 16.872 3.111 -0.657 230 HD2 PRO 28 HD2 PRO 28 19.166 1.665 0.378 231 HD3 PRO 28 HD3 PRO 28 17.503 1.698 0.980 232 H ASN 29 HN ASN 29 20.163 0.578 -0.740 233 HA ASN 29 HA ASN 29 21.827 0.207 -3.185 234 HB2 ASN 29 HB2 ASN 29 22.144 1.368 -0.438 235 HB3 ASN 29 HB3 ASN 29 23.591 0.821 -1.285 236 HD21 ASN 29 HD21 ASN 29 24.448 2.220 -2.866 237 HD22 ASN 29 HD22 ASN 29 23.651 3.602 -3.447 238 H ARG 30 HN ARG 30 20.441 -1.857 -1.031 239 HA ARG 30 HA ARG 30 22.739 -3.767 -1.174 240 HB2 ARG 30 HB2 ARG 30 22.136 -2.453 1.084 241 HB3 ARG 30 HB3 ARG 30 20.933 -3.737 1.212 242 HG2 ARG 30 HG2 ARG 30 22.730 -4.765 2.253 243 HG3 ARG 30 HG3 ARG 30 23.003 -5.280 0.589 244 HD2 ARG 30 HD2 ARG 30 24.860 -3.943 0.342 245 HD3 ARG 30 HD3 ARG 30 24.194 -2.657 1.367 246 HE ARG 30 HE ARG 30 25.504 -5.140 2.363 247 HH11 ARG 30 HH11 ARG 30 23.315 -4.353 4.199 248 HH12 ARG 30 HH12 ARG 30 24.096 -3.242 5.275 249 HH21 ARG 30 HH21 ARG 30 26.817 -2.720 3.173 250 HH22 ARG 30 HH22 ARG 30 26.088 -2.313 4.691 Start of MODEL 25 1 HA HIS 1 HA HIS 1 -26.880 -4.084 1.638 2 HB2 HIS 1 HB2 HIS 1 -29.269 -4.092 -0.163 3 HB3 HIS 1 HB3 HIS 1 -28.493 -5.640 0.167 4 HD1 HIS 1 HD1 HIS 1 -28.891 -6.681 2.440 5 HD2 HIS 1 HD2 HIS 1 -30.207 -2.728 2.263 6 HE1 HIS 1 HE1 HIS 1 -30.140 -6.244 4.598 7 H SER 2 HN SER 2 -25.295 -2.742 -0.451 8 HA SER 2 HA SER 2 -24.506 -5.143 -2.071 9 HB2 SER 2 HB2 SER 2 -24.008 -3.475 -3.888 10 HB3 SER 2 HB3 SER 2 -25.715 -3.549 -3.458 11 HG SER 2 HG SER 2 -24.826 -1.391 -3.607 12 H VAL 3 HN VAL 3 -23.393 -4.095 0.506 13 HA VAL 3 HA VAL 3 -21.305 -3.567 1.475 14 HB VAL 3 HB VAL 3 -20.344 -4.763 -1.150 15 HG11 VAL 3 HG11 VAL 3 -18.367 -4.228 -0.123 16 HG12 VAL 3 HG12 VAL 3 -18.691 -5.711 0.775 17 HG13 VAL 3 HG13 VAL 3 -19.100 -4.146 1.479 18 HG21 VAL 3 HG21 VAL 3 -20.438 -6.933 0.143 19 HG22 VAL 3 HG22 VAL 3 -22.021 -6.243 -0.209 20 HG23 VAL 3 HG23 VAL 3 -21.327 -6.079 1.404 21 H SER 4 HN SER 4 -22.436 -1.312 0.285 22 HA SER 4 HA SER 4 -20.412 -0.058 -1.467 23 HB2 SER 4 HB2 SER 4 -23.057 0.087 -1.470 24 HB3 SER 4 HB3 SER 4 -22.774 1.356 -0.281 25 HG SER 4 HG SER 4 -22.295 2.584 -1.910 26 H HIS 5 HN HIS 5 -21.449 0.016 1.871 27 HA HIS 5 HA HIS 5 -19.290 2.014 2.465 28 HB2 HIS 5 HB2 HIS 5 -22.181 1.872 3.185 29 HB3 HIS 5 HB3 HIS 5 -21.083 2.440 4.442 30 HD1 HIS 5 HD1 HIS 5 -20.613 4.882 4.360 31 HD2 HIS 5 HD2 HIS 5 -21.629 3.400 0.598 32 HE1 HIS 5 HE1 HIS 5 -20.632 6.867 2.788 33 H ALA 6 HN ALA 6 -19.168 -0.951 2.539 34 HA ALA 6 HA ALA 6 -18.727 -1.340 5.486 35 HB1 ALA 6 HB1 ALA 6 -19.355 -3.698 5.064 36 HB2 ALA 6 HB2 ALA 6 -19.587 -3.328 3.355 37 HB3 ALA 6 HB3 ALA 6 -20.646 -2.605 4.566 38 H ARG 7 HN ARG 7 -16.763 -0.312 3.574 39 HA ARG 7 HA ARG 7 -14.696 -2.437 3.863 40 HB2 ARG 7 HB2 ARG 7 -14.037 -2.027 1.469 41 HB3 ARG 7 HB3 ARG 7 -15.636 -2.745 1.635 42 HG2 ARG 7 HG2 ARG 7 -15.843 0.140 1.725 43 HG3 ARG 7 HG3 ARG 7 -14.969 -0.355 0.277 44 HD2 ARG 7 HD2 ARG 7 -17.418 -1.926 0.953 45 HD3 ARG 7 HD3 ARG 7 -17.660 -0.278 0.341 46 HE ARG 7 HE ARG 7 -16.284 -2.472 -1.126 47 HH11 ARG 7 HH11 ARG 7 -14.902 0.066 -1.746 48 HH12 ARG 7 HH12 ARG 7 -15.831 0.708 -3.060 49 HH21 ARG 7 HH21 ARG 7 -18.574 -1.349 -2.468 50 HH22 ARG 7 HH22 ARG 7 -17.915 -0.101 -3.475 51 HA PRO 8 HA PRO 8 -13.218 1.766 5.062 52 HB2 PRO 8 HB2 PRO 8 -11.764 0.905 7.218 53 HB3 PRO 8 HB3 PRO 8 -13.494 1.290 7.300 54 HG2 PRO 8 HG2 PRO 8 -12.153 -1.362 7.096 55 HG3 PRO 8 HG3 PRO 8 -13.573 -0.885 8.039 56 HD2 PRO 8 HD2 PRO 8 -13.732 -2.248 5.690 57 HD3 PRO 8 HD3 PRO 8 -15.003 -1.148 6.270 58 H ARG 9 HN ARG 9 -11.563 -1.277 4.428 59 HA ARG 9 HA ARG 9 -8.951 0.116 4.058 60 HB2 ARG 9 HB2 ARG 9 -9.449 -2.102 5.350 61 HB3 ARG 9 HB3 ARG 9 -9.495 -2.828 3.746 62 HG2 ARG 9 HG2 ARG 9 -7.218 -1.475 3.458 63 HG3 ARG 9 HG3 ARG 9 -7.188 -1.623 5.215 64 HD2 ARG 9 HD2 ARG 9 -7.776 -4.161 4.703 65 HD3 ARG 9 HD3 ARG 9 -7.039 -3.782 3.134 66 HE ARG 9 HE ARG 9 -4.994 -3.097 4.337 67 HH11 ARG 9 HH11 ARG 9 -5.252 -5.918 5.148 68 HH12 ARG 9 HH12 ARG 9 -5.173 -5.841 6.876 69 HH21 ARG 9 HH21 ARG 9 -5.853 -2.434 7.014 70 HH22 ARG 9 HH22 ARG 9 -5.514 -3.860 7.936 71 H TRP 10 HN TRP 10 -11.462 0.067 2.124 72 HA TRP 10 HA TRP 10 -10.549 -1.356 -0.240 73 HB2 TRP 10 HB2 TRP 10 -12.543 -0.549 -1.180 74 HB3 TRP 10 HB3 TRP 10 -12.923 -0.588 0.536 75 HD1 TRP 10 HD1 TRP 10 -12.472 1.882 1.841 76 HE1 TRP 10 HE1 TRP 10 -13.082 4.233 0.984 77 HE3 TRP 10 HE3 TRP 10 -12.888 0.917 -3.157 78 HZ2 TRP 10 HZ2 TRP 10 -13.672 5.535 -1.495 79 HZ3 TRP 10 HZ3 TRP 10 -13.474 2.729 -4.741 80 HH2 TRP 10 HH2 TRP 10 -13.867 5.034 -3.918 81 H PHE 11 HN PHE 11 -10.053 1.913 1.002 82 HA PHE 11 HA PHE 11 -8.694 2.691 -1.541 83 HB2 PHE 11 HB2 PHE 11 -10.462 3.967 0.205 84 HB3 PHE 11 HB3 PHE 11 -8.900 4.695 0.581 85 HD1 PHE 11 HD2 PHE 11 -10.756 3.552 -2.487 86 HD2 PHE 11 HD1 PHE 11 -8.358 6.599 -0.638 87 HE1 PHE 11 HE2 PHE 11 -10.891 4.913 -4.554 88 HE2 PHE 11 HE1 PHE 11 -8.495 7.960 -2.706 89 HZ PHE 11 HZ PHE 11 -9.761 7.117 -4.665 90 H TRP 12 HN TRP 12 -7.651 0.906 0.830 91 HA TRP 12 HA TRP 12 -5.243 2.520 1.557 92 HB2 TRP 12 HB2 TRP 12 -6.598 0.055 2.674 93 HB3 TRP 12 HB3 TRP 12 -5.007 0.579 3.224 94 HD1 TRP 12 HD1 TRP 12 -8.618 1.911 2.953 95 HE1 TRP 12 HE1 TRP 12 -8.987 3.635 4.830 96 HE3 TRP 12 HE3 TRP 12 -3.909 2.087 4.926 97 HZ2 TRP 12 HZ2 TRP 12 -7.484 4.923 6.895 98 HZ3 TRP 12 HZ3 TRP 12 -3.408 3.572 6.846 99 HH2 TRP 12 HH2 TRP 12 -5.188 4.988 7.832 100 H PHE 13 HN PHE 13 -6.025 0.645 -0.954 101 HA PHE 13 HA PHE 13 -3.938 -1.375 -0.952 102 HB2 PHE 13 HB2 PHE 13 -6.055 -1.507 -2.253 103 HB3 PHE 13 HB3 PHE 13 -5.542 -0.109 -3.199 104 HD1 PHE 13 HD2 PHE 13 -4.641 -3.615 -2.312 105 HD2 PHE 13 HD1 PHE 13 -4.041 -0.343 -5.030 106 HE1 PHE 13 HE2 PHE 13 -3.359 -5.106 -3.825 107 HE2 PHE 13 HE1 PHE 13 -2.760 -1.832 -6.542 108 HZ PHE 13 HZ PHE 13 -2.418 -4.214 -5.939 109 H SER 14 HN SER 14 -4.311 1.849 -2.358 110 HA SER 14 HA SER 14 -1.777 1.960 -3.707 111 HB2 SER 14 HB2 SER 14 -3.573 4.109 -2.545 112 HB3 SER 14 HB3 SER 14 -2.240 4.425 -3.650 113 HG SER 14 HG SER 14 -3.561 3.937 -5.198 114 H LEU 15 HN LEU 15 -2.821 2.702 -0.434 115 HA LEU 15 HA LEU 15 -0.423 3.970 0.512 116 HB2 LEU 15 HB2 LEU 15 -2.777 3.834 1.547 117 HB3 LEU 15 HB3 LEU 15 -2.337 2.216 2.086 118 HG LEU 15 HG LEU 15 -1.977 4.162 3.746 119 HD11 LEU 15 HD11 LEU 15 0.637 2.811 3.423 120 HD12 LEU 15 HD12 LEU 15 -0.763 1.740 3.468 121 HD13 LEU 15 HD13 LEU 15 -0.454 2.843 4.809 122 HD21 LEU 15 HD21 LEU 15 -0.841 5.546 1.867 123 HD22 LEU 15 HD22 LEU 15 0.582 4.556 2.194 124 HD23 LEU 15 HD23 LEU 15 -0.099 5.567 3.467 125 H LEU 16 HN LEU 16 -1.499 0.575 0.391 126 HA LEU 16 HA LEU 16 0.731 -0.601 1.755 127 HB2 LEU 16 HB2 LEU 16 -1.564 -1.574 1.124 128 HB3 LEU 16 HB3 LEU 16 -0.904 -1.802 -0.494 129 HG LEU 16 HG LEU 16 0.941 -2.814 1.501 130 HD11 LEU 16 HD11 LEU 16 -1.798 -4.116 1.454 131 HD12 LEU 16 HD12 LEU 16 -1.217 -3.100 2.773 132 HD13 LEU 16 HD13 LEU 16 -0.399 -4.618 2.405 133 HD21 LEU 16 HD21 LEU 16 0.915 -4.744 0.069 134 HD22 LEU 16 HD22 LEU 16 0.743 -3.341 -0.988 135 HD23 LEU 16 HD23 LEU 16 -0.669 -4.318 -0.581 136 H LEU 17 HN LEU 17 0.132 0.154 -1.640 137 HA LEU 17 HA LEU 17 2.479 -1.018 -2.772 138 HB2 LEU 17 HB2 LEU 17 0.276 0.092 -3.758 139 HB3 LEU 17 HB3 LEU 17 1.290 1.535 -3.802 140 HG LEU 17 HG LEU 17 2.997 -0.297 -4.872 141 HD11 LEU 17 HD11 LEU 17 1.539 -1.516 -6.594 142 HD12 LEU 17 HD12 LEU 17 0.168 -1.134 -5.551 143 HD13 LEU 17 HD13 LEU 17 1.483 -2.142 -4.947 144 HD21 LEU 17 HD21 LEU 17 0.981 0.943 -6.710 145 HD22 LEU 17 HD22 LEU 17 2.739 0.925 -6.828 146 HD23 LEU 17 HD23 LEU 17 1.945 2.008 -5.686 147 H LEU 18 HN LEU 18 1.869 2.083 -1.246 148 HA LEU 18 HA LEU 18 4.454 3.260 -1.858 149 HB2 LEU 18 HB2 LEU 18 2.134 4.311 -1.217 150 HB3 LEU 18 HB3 LEU 18 2.674 4.042 0.439 151 HG LEU 18 HG LEU 18 4.738 5.265 -1.250 152 HD11 LEU 18 HD11 LEU 18 3.660 7.491 -1.323 153 HD12 LEU 18 HD12 LEU 18 2.170 6.785 -0.697 154 HD13 LEU 18 HD13 LEU 18 2.766 6.317 -2.289 155 HD21 LEU 18 HD21 LEU 18 4.650 5.004 1.294 156 HD22 LEU 18 HD22 LEU 18 3.438 6.285 1.287 157 HD23 LEU 18 HD23 LEU 18 5.069 6.611 0.702 158 H ALA 19 HN ALA 19 3.109 1.362 0.782 159 HA ALA 19 HA ALA 19 5.150 1.748 2.747 160 HB1 ALA 19 HB1 ALA 19 2.832 0.600 2.860 161 HB2 ALA 19 HB2 ALA 19 4.138 -0.140 3.786 162 HB3 ALA 19 HB3 ALA 19 3.654 -0.832 2.238 163 H ALA 20 HN ALA 20 4.872 -0.612 0.074 164 HA ALA 20 HA ALA 20 7.230 -2.133 0.648 165 HB1 ALA 20 HB1 ALA 20 5.754 -1.465 -1.921 166 HB2 ALA 20 HB2 ALA 20 5.519 -2.887 -0.903 167 HB3 ALA 20 HB3 ALA 20 7.017 -2.691 -1.813 168 H GLY 21 HN GLY 21 6.716 0.823 -1.288 169 HA2 GLY 21 HA2 GLY 21 9.392 1.040 -2.300 170 HA3 GLY 21 HA3 GLY 21 8.246 2.374 -2.164 171 H VAL 22 HN VAL 22 7.847 2.192 0.691 172 HA VAL 22 HA VAL 22 9.995 3.829 1.659 173 HB VAL 22 HB VAL 22 7.918 2.153 3.123 174 HG11 VAL 22 HG11 VAL 22 8.239 3.781 4.960 175 HG12 VAL 22 HG12 VAL 22 9.531 4.554 4.042 176 HG13 VAL 22 HG13 VAL 22 9.728 2.898 4.619 177 HG21 VAL 22 HG21 VAL 22 7.591 4.335 1.377 178 HG22 VAL 22 HG22 VAL 22 7.451 5.018 2.996 179 HG23 VAL 22 HG23 VAL 22 6.393 3.697 2.503 180 H GLY 23 HN GLY 23 9.299 0.342 2.062 181 HA2 GLY 23 HA2 GLY 23 11.488 -0.235 3.820 182 HA3 GLY 23 HA3 GLY 23 10.664 -1.418 2.803 183 H ILE 24 HN ILE 24 11.197 -0.262 0.262 184 HA ILE 24 HA ILE 24 13.851 -1.270 -0.268 185 HB ILE 24 HB ILE 24 11.881 0.431 -1.844 186 HG12 ILE 24 HG12 ILE 24 12.597 -2.450 -2.357 187 HG13 ILE 24 HG13 ILE 24 11.428 -2.044 -1.099 188 HG21 ILE 24 HG21 ILE 24 14.461 -0.902 -2.721 189 HG22 ILE 24 HG22 ILE 24 14.072 0.817 -2.797 190 HG23 ILE 24 HG23 ILE 24 13.227 -0.326 -3.841 191 HD11 ILE 24 HD11 ILE 24 10.011 -0.901 -2.693 192 HD12 ILE 24 HD12 ILE 24 10.385 -2.495 -3.347 193 HD13 ILE 24 HD13 ILE 24 11.224 -1.071 -3.962 194 H TYR 25 HN TYR 25 12.540 2.037 0.173 195 HA TYR 25 HA TYR 25 14.939 3.447 -0.557 196 HB2 TYR 25 HB2 TYR 25 12.429 4.178 -0.049 197 HB3 TYR 25 HB3 TYR 25 13.079 4.458 1.568 198 HD1 TYR 25 HD2 TYR 25 15.147 5.939 1.816 199 HD2 TYR 25 HD1 TYR 25 12.883 5.682 -1.826 200 HE1 TYR 25 HE2 TYR 25 16.155 8.066 1.037 201 HE2 TYR 25 HE1 TYR 25 13.892 7.808 -2.604 202 HH TYR 25 HH TYR 25 15.080 9.977 -0.986 203 H LEU 26 HN LEU 26 13.963 1.744 2.352 204 HA LEU 26 HA LEU 26 16.055 2.889 4.062 205 HB2 LEU 26 HB2 LEU 26 13.802 0.995 4.206 206 HB3 LEU 26 HB3 LEU 26 15.188 0.485 5.167 207 HG LEU 26 HG LEU 26 13.687 1.877 6.520 208 HD11 LEU 26 HD11 LEU 26 15.343 3.209 7.476 209 HD12 LEU 26 HD12 LEU 26 16.015 3.674 5.912 210 HD13 LEU 26 HD13 LEU 26 16.311 2.058 6.555 211 HD21 LEU 26 HD21 LEU 26 12.633 3.191 4.765 212 HD22 LEU 26 HD22 LEU 26 14.172 3.942 4.350 213 HD23 LEU 26 HD23 LEU 26 13.409 4.293 5.901 214 H LEU 27 HN LEU 27 15.694 0.235 1.805 215 HA LEU 27 HA LEU 27 18.520 -0.609 2.341 216 HB2 LEU 27 HB2 LEU 27 16.443 -2.030 3.171 217 HB3 LEU 27 HB3 LEU 27 16.372 -2.527 1.480 218 HG LEU 27 HG LEU 27 18.964 -2.927 1.807 219 HD11 LEU 27 HD11 LEU 27 17.941 -3.346 4.628 220 HD12 LEU 27 HD12 LEU 27 18.874 -1.932 4.135 221 HD13 LEU 27 HD13 LEU 27 19.596 -3.538 4.050 222 HD21 LEU 27 HD21 LEU 27 17.181 -4.643 1.333 223 HD22 LEU 27 HD22 LEU 27 16.952 -4.811 3.075 224 HD23 LEU 27 HD23 LEU 27 18.496 -5.247 2.342 225 HA PRO 28 HA PRO 28 17.612 -0.099 -2.221 226 HB2 PRO 28 HB2 PRO 28 18.391 2.484 -2.691 227 HB3 PRO 28 HB3 PRO 28 16.739 2.031 -2.231 228 HG2 PRO 28 HG2 PRO 28 18.751 3.447 -0.683 229 HG3 PRO 28 HG3 PRO 28 17.021 3.276 -0.389 230 HD2 PRO 28 HD2 PRO 28 19.212 1.833 0.840 231 HD3 PRO 28 HD3 PRO 28 17.493 1.813 1.255 232 H ASN 29 HN ASN 29 20.335 0.788 -0.214 233 HA ASN 29 HA ASN 29 22.315 0.902 -2.349 234 HB2 ASN 29 HB2 ASN 29 23.808 1.321 -0.571 235 HB3 ASN 29 HB3 ASN 29 22.279 1.942 0.044 236 HD21 ASN 29 HD21 ASN 29 21.098 0.547 1.640 237 HD22 ASN 29 HD22 ASN 29 21.952 -0.617 2.531 238 H ARG 30 HN ARG 30 20.883 -1.666 -0.430 239 HA ARG 30 HA ARG 30 22.561 -3.650 -1.891 240 HB2 ARG 30 HB2 ARG 30 22.445 -3.091 1.048 241 HB3 ARG 30 HB3 ARG 30 22.598 -4.773 0.539 242 HG2 ARG 30 HG2 ARG 30 24.546 -4.075 -0.905 243 HG3 ARG 30 HG3 ARG 30 24.450 -2.478 -0.161 244 HD2 ARG 30 HD2 ARG 30 24.632 -3.681 2.104 245 HD3 ARG 30 HD3 ARG 30 25.114 -5.114 1.176 246 HE ARG 30 HE ARG 30 26.766 -2.782 1.619 247 HH11 ARG 30 HH11 ARG 30 26.900 -5.824 0.380 248 HH12 ARG 30 HH12 ARG 30 27.943 -5.467 -0.954 249 HH21 ARG 30 HH21 ARG 30 27.686 -2.023 -0.577 250 HH22 ARG 30 HH22 ARG 30 28.395 -3.309 -1.494 Start of MODEL 26 1 HA HIS 1 HA HIS 1 -3.765 -10.769 -2.572 2 HB2 HIS 1 HB2 HIS 1 -1.784 -12.432 -4.060 3 HB3 HIS 1 HB3 HIS 1 -3.181 -11.861 -4.972 4 HD1 HIS 1 HD1 HIS 1 0.080 -10.786 -3.747 5 HD2 HIS 1 HD2 HIS 1 -3.497 -8.897 -4.756 6 HE1 HIS 1 HE1 HIS 1 0.626 -8.331 -4.050 7 H SER 2 HN SER 2 -5.751 -11.209 -3.703 8 HA SER 2 HA SER 2 -7.817 -12.356 -3.828 9 HB2 SER 2 HB2 SER 2 -7.611 -14.223 -5.407 10 HB3 SER 2 HB3 SER 2 -6.524 -12.919 -5.871 11 HG SER 2 HG SER 2 -5.953 -15.407 -4.674 12 H VAL 3 HN VAL 3 -7.187 -12.627 -1.251 13 HA VAL 3 HA VAL 3 -7.091 -15.520 -0.543 14 HB VAL 3 HB VAL 3 -6.808 -14.597 1.757 15 HG11 VAL 3 HG11 VAL 3 -4.885 -14.932 0.138 16 HG12 VAL 3 HG12 VAL 3 -4.582 -13.757 1.418 17 HG13 VAL 3 HG13 VAL 3 -4.977 -13.206 -0.211 18 HG21 VAL 3 HG21 VAL 3 -6.543 -11.842 0.609 19 HG22 VAL 3 HG22 VAL 3 -6.941 -12.335 2.255 20 HG23 VAL 3 HG23 VAL 3 -8.161 -12.438 0.984 21 H SER 4 HN SER 4 -9.511 -14.247 -1.773 22 HA SER 4 HA SER 4 -11.828 -14.611 -1.573 23 HB2 SER 4 HB2 SER 4 -10.893 -16.508 -0.016 24 HB3 SER 4 HB3 SER 4 -11.443 -15.453 1.284 25 HG SER 4 HG SER 4 -12.914 -17.131 0.085 26 H HIS 5 HN HIS 5 -10.380 -13.336 1.401 27 HA HIS 5 HA HIS 5 -12.602 -11.378 1.681 28 HB2 HIS 5 HB2 HIS 5 -11.353 -12.917 3.473 29 HB3 HIS 5 HB3 HIS 5 -10.252 -11.541 3.529 30 HD1 HIS 5 HD1 HIS 5 -13.614 -12.653 4.604 31 HD2 HIS 5 HD2 HIS 5 -11.549 -9.043 4.315 32 HE1 HIS 5 HE1 HIS 5 -14.929 -10.965 5.958 33 H ALA 6 HN ALA 6 -10.527 -11.153 -0.496 34 HA ALA 6 HA ALA 6 -9.032 -8.709 0.335 35 HB1 ALA 6 HB1 ALA 6 -7.642 -9.204 -1.545 36 HB2 ALA 6 HB2 ALA 6 -8.866 -10.247 -2.266 37 HB3 ALA 6 HB3 ALA 6 -8.009 -10.767 -0.815 38 H ARG 7 HN ARG 7 -12.032 -8.837 -0.323 39 HA ARG 7 HA ARG 7 -12.372 -7.478 -2.877 40 HB2 ARG 7 HB2 ARG 7 -14.005 -8.400 -0.579 41 HB3 ARG 7 HB3 ARG 7 -14.662 -7.021 -1.459 42 HG2 ARG 7 HG2 ARG 7 -15.543 -8.732 -2.737 43 HG3 ARG 7 HG3 ARG 7 -14.003 -8.513 -3.570 44 HD2 ARG 7 HD2 ARG 7 -13.568 -10.286 -1.351 45 HD3 ARG 7 HD3 ARG 7 -14.955 -10.876 -2.285 46 HE ARG 7 HE ARG 7 -12.368 -10.142 -3.610 47 HH11 ARG 7 HH11 ARG 7 -12.893 -13.001 -2.621 48 HH12 ARG 7 HH12 ARG 7 -13.444 -13.755 -4.081 49 HH21 ARG 7 HH21 ARG 7 -14.029 -10.744 -5.720 50 HH22 ARG 7 HH22 ARG 7 -14.090 -12.470 -5.844 51 HA PRO 8 HA PRO 8 -12.914 -3.608 -0.098 52 HB2 PRO 8 HB2 PRO 8 -12.100 -3.750 2.514 53 HB3 PRO 8 HB3 PRO 8 -13.750 -4.139 1.991 54 HG2 PRO 8 HG2 PRO 8 -11.507 -5.956 2.682 55 HG3 PRO 8 HG3 PRO 8 -13.241 -6.134 2.982 56 HD2 PRO 8 HD2 PRO 8 -11.883 -7.415 0.978 57 HD3 PRO 8 HD3 PRO 8 -13.626 -7.074 0.945 58 H ARG 9 HN ARG 9 -11.105 -2.260 1.479 59 HA ARG 9 HA ARG 9 -8.907 -1.407 1.562 60 HB2 ARG 9 HB2 ARG 9 -8.710 -4.050 2.004 61 HB3 ARG 9 HB3 ARG 9 -7.816 -3.972 0.487 62 HG2 ARG 9 HG2 ARG 9 -6.639 -1.909 1.673 63 HG3 ARG 9 HG3 ARG 9 -7.161 -2.740 3.138 64 HD2 ARG 9 HD2 ARG 9 -5.927 -4.524 1.128 65 HD3 ARG 9 HD3 ARG 9 -4.825 -3.311 1.811 66 HE ARG 9 HE ARG 9 -5.593 -4.110 4.088 67 HH11 ARG 9 HH21 ARG 9 -7.839 -5.860 3.236 68 HH12 ARG 9 HH22 ARG 9 -7.120 -7.435 3.249 69 HH21 ARG 9 HH11 ARG 9 -3.858 -6.234 3.261 70 HH22 ARG 9 HH12 ARG 9 -4.859 -7.648 3.262 71 H TRP 10 HN TRP 10 -10.549 -1.271 -0.917 72 HA TRP 10 HA TRP 10 -8.797 -1.641 -3.218 73 HB2 TRP 10 HB2 TRP 10 -11.525 -1.038 -2.624 74 HB3 TRP 10 HB3 TRP 10 -10.917 0.248 -3.665 75 HD1 TRP 10 HD1 TRP 10 -12.144 -3.243 -3.749 76 HE1 TRP 10 HE1 TRP 10 -11.818 -4.254 -6.096 77 HE3 TRP 10 HE3 TRP 10 -9.088 0.290 -5.808 78 HZ2 TRP 10 HZ2 TRP 10 -10.441 -3.642 -8.531 79 HZ3 TRP 10 HZ3 TRP 10 -8.284 0.052 -8.140 80 HH2 TRP 10 HH2 TRP 10 -8.956 -1.907 -9.503 81 H PHE 11 HN PHE 11 -9.940 1.228 -1.394 82 HA PHE 11 HA PHE 11 -8.297 3.099 -2.901 83 HB2 PHE 11 HB2 PHE 11 -10.497 3.473 -1.626 84 HB3 PHE 11 HB3 PHE 11 -9.520 3.473 -0.158 85 HD1 PHE 11 HD2 PHE 11 -7.895 5.255 0.284 86 HD2 PHE 11 HD1 PHE 11 -10.312 5.272 -3.269 87 HE1 PHE 11 HE2 PHE 11 -7.283 7.624 -0.123 88 HE2 PHE 11 HE1 PHE 11 -9.699 7.641 -3.674 89 HZ PHE 11 HZ PHE 11 -8.185 8.816 -2.101 90 H TRP 12 HN TRP 12 -7.847 1.197 0.049 91 HA TRP 12 HA TRP 12 -5.468 2.705 0.884 92 HB2 TRP 12 HB2 TRP 12 -6.898 0.209 1.815 93 HB3 TRP 12 HB3 TRP 12 -5.420 0.784 2.584 94 HD1 TRP 12 HD1 TRP 12 -9.093 1.653 2.101 95 HE1 TRP 12 HE1 TRP 12 -9.734 3.533 3.743 96 HE3 TRP 12 HE3 TRP 12 -4.478 2.825 3.945 97 HZ2 TRP 12 HZ2 TRP 12 -8.458 5.300 5.597 98 HZ3 TRP 12 HZ3 TRP 12 -4.220 4.608 5.647 99 HH2 TRP 12 HH2 TRP 12 -6.202 5.845 6.475 100 H PHE 13 HN PHE 13 -5.937 0.491 -1.563 101 HA PHE 13 HA PHE 13 -3.725 -1.310 -1.246 102 HB2 PHE 13 HB2 PHE 13 -5.804 -1.169 -2.901 103 HB3 PHE 13 HB3 PHE 13 -4.636 -0.331 -3.925 104 HD1 PHE 13 HD2 PHE 13 -2.601 -1.468 -4.717 105 HD2 PHE 13 HD1 PHE 13 -5.554 -3.523 -2.373 106 HE1 PHE 13 HE2 PHE 13 -1.596 -3.643 -5.358 107 HE2 PHE 13 HE1 PHE 13 -4.549 -5.698 -3.012 108 HZ PHE 13 HZ PHE 13 -2.570 -5.758 -4.506 109 H SER 14 HN SER 14 -4.023 1.870 -2.759 110 HA SER 14 HA SER 14 -1.368 2.039 -3.834 111 HB2 SER 14 HB2 SER 14 -3.119 4.288 -2.809 112 HB3 SER 14 HB3 SER 14 -1.903 4.386 -4.079 113 HG SER 14 HG SER 14 -4.357 4.030 -4.515 114 H LEU 15 HN LEU 15 -2.761 2.835 -0.704 115 HA LEU 15 HA LEU 15 -0.484 4.139 0.471 116 HB2 LEU 15 HB2 LEU 15 -2.829 4.184 1.317 117 HB3 LEU 15 HB3 LEU 15 -2.704 2.470 1.714 118 HG LEU 15 HG LEU 15 -0.477 3.977 2.831 119 HD11 LEU 15 HD11 LEU 15 -2.083 4.998 4.626 120 HD12 LEU 15 HD12 LEU 15 -3.290 4.916 3.343 121 HD13 LEU 15 HD13 LEU 15 -1.825 5.872 3.117 122 HD21 LEU 15 HD21 LEU 15 -1.329 2.855 4.912 123 HD22 LEU 15 HD22 LEU 15 -1.082 1.738 3.570 124 HD23 LEU 15 HD23 LEU 15 -2.711 2.274 3.983 125 H LEU 16 HN LEU 16 -1.552 0.729 0.401 126 HA LEU 16 HA LEU 16 0.568 -0.328 2.028 127 HB2 LEU 16 HB2 LEU 16 -1.742 -1.278 1.154 128 HB3 LEU 16 HB3 LEU 16 -0.764 -1.854 -0.195 129 HG LEU 16 HG LEU 16 0.176 -2.364 2.612 130 HD11 LEU 16 HD11 LEU 16 -2.262 -3.043 2.414 131 HD12 LEU 16 HD12 LEU 16 -1.151 -4.359 2.788 132 HD13 LEU 16 HD13 LEU 16 -1.768 -4.166 1.148 133 HD21 LEU 16 HD21 LEU 16 0.620 -3.419 -0.141 134 HD22 LEU 16 HD22 LEU 16 0.702 -4.588 1.177 135 HD23 LEU 16 HD23 LEU 16 1.774 -3.187 1.173 136 H LEU 17 HN LEU 17 0.236 0.231 -1.435 137 HA LEU 17 HA LEU 17 2.641 -1.063 -2.307 138 HB2 LEU 17 HB2 LEU 17 0.588 -0.101 -3.598 139 HB3 LEU 17 HB3 LEU 17 1.464 1.430 -3.533 140 HG LEU 17 HG LEU 17 3.474 -0.024 -4.431 141 HD11 LEU 17 HD11 LEU 17 2.418 -2.194 -4.291 142 HD12 LEU 17 HD12 LEU 17 2.584 -1.791 -6.001 143 HD13 LEU 17 HD13 LEU 17 1.019 -1.627 -5.205 144 HD21 LEU 17 HD21 LEU 17 2.923 0.678 -6.650 145 HD22 LEU 17 HD22 LEU 17 2.166 1.858 -5.580 146 HD23 LEU 17 HD23 LEU 17 1.192 0.590 -6.324 147 H LEU 18 HN LEU 18 1.946 2.152 -1.074 148 HA LEU 18 HA LEU 18 4.546 3.309 -1.546 149 HB2 LEU 18 HB2 LEU 18 2.216 4.369 -1.027 150 HB3 LEU 18 HB3 LEU 18 2.645 4.086 0.661 151 HG LEU 18 HG LEU 18 4.888 5.271 0.038 152 HD11 LEU 18 HD11 LEU 18 3.032 6.176 -2.184 153 HD12 LEU 18 HD12 LEU 18 4.575 5.342 -2.371 154 HD13 LEU 18 HD13 LEU 18 4.533 6.994 -1.754 155 HD21 LEU 18 HD21 LEU 18 2.279 6.818 0.170 156 HD22 LEU 18 HD22 LEU 18 3.874 7.460 0.557 157 HD23 LEU 18 HD23 LEU 18 3.166 6.194 1.560 158 H ALA 19 HN ALA 19 3.072 1.553 1.135 159 HA ALA 19 HA ALA 19 5.149 1.917 3.084 160 HB1 ALA 19 HB1 ALA 19 3.991 0.177 4.238 161 HB2 ALA 19 HB2 ALA 19 3.418 -0.542 2.734 162 HB3 ALA 19 HB3 ALA 19 2.746 0.992 3.290 163 H ALA 20 HN ALA 20 4.657 -0.517 0.522 164 HA ALA 20 HA ALA 20 6.896 -2.203 1.191 165 HB1 ALA 20 HB1 ALA 20 5.436 -1.637 -1.414 166 HB2 ALA 20 HB2 ALA 20 5.028 -2.891 -0.243 167 HB3 ALA 20 HB3 ALA 20 6.532 -2.996 -1.159 168 H GLY 21 HN GLY 21 6.529 0.620 -0.965 169 HA2 GLY 21 HA2 GLY 21 9.160 0.548 -2.097 170 HA3 GLY 21 HA3 GLY 21 8.134 1.981 -2.005 171 H VAL 22 HN VAL 22 7.856 2.105 0.834 172 HA VAL 22 HA VAL 22 10.225 3.545 1.583 173 HB VAL 22 HB VAL 22 7.967 2.323 3.212 174 HG11 VAL 22 HG11 VAL 22 9.596 2.812 4.828 175 HG12 VAL 22 HG12 VAL 22 8.671 4.312 4.764 176 HG13 VAL 22 HG13 VAL 22 10.216 4.193 3.924 177 HG21 VAL 22 HG21 VAL 22 6.708 4.094 2.572 178 HG22 VAL 22 HG22 VAL 22 7.912 4.359 1.310 179 HG23 VAL 22 HG23 VAL 22 8.034 5.226 2.842 180 H GLY 23 HN GLY 23 9.153 0.203 2.206 181 HA2 GLY 23 HA2 GLY 23 11.145 -0.545 4.091 182 HA3 GLY 23 HA3 GLY 23 10.339 -1.664 2.990 183 H ILE 24 HN ILE 24 11.168 -0.739 0.514 184 HA ILE 24 HA ILE 24 13.935 -1.698 0.413 185 HB ILE 24 HB ILE 24 12.027 -0.544 -1.659 186 HG12 ILE 24 HG12 ILE 24 12.773 -3.389 -1.765 187 HG13 ILE 24 HG13 ILE 24 11.908 -2.950 -0.291 188 HG21 ILE 24 HG21 ILE 24 14.753 -1.832 -1.914 189 HG22 ILE 24 HG22 ILE 24 14.221 -0.278 -2.558 190 HG23 ILE 24 HG23 ILE 24 13.608 -1.778 -3.255 191 HD11 ILE 24 HD11 ILE 24 10.093 -3.334 -1.655 192 HD12 ILE 24 HD12 ILE 24 10.973 -2.911 -3.123 193 HD13 ILE 24 HD13 ILE 24 10.372 -1.640 -2.057 194 H TYR 25 HN TYR 25 12.334 1.467 0.390 195 HA TYR 25 HA TYR 25 14.467 3.038 -0.692 196 HB2 TYR 25 HB2 TYR 25 12.110 3.770 -0.239 197 HB3 TYR 25 HB3 TYR 25 12.479 3.762 1.486 198 HD1 TYR 25 HD2 TYR 25 13.373 5.316 -1.774 199 HD2 TYR 25 HD1 TYR 25 13.739 5.521 2.502 200 HE1 TYR 25 HE2 TYR 25 14.359 7.583 -1.965 201 HE2 TYR 25 HE1 TYR 25 14.728 7.786 2.308 202 HH TYR 25 HH TYR 25 16.103 8.989 -0.093 203 H LEU 26 HN LEU 26 14.073 1.466 2.410 204 HA LEU 26 HA LEU 26 16.135 3.024 3.795 205 HB2 LEU 26 HB2 LEU 26 14.236 0.821 4.303 206 HB3 LEU 26 HB3 LEU 26 15.763 0.645 5.162 207 HG LEU 26 HG LEU 26 14.169 1.897 6.539 208 HD11 LEU 26 HD11 LEU 26 16.074 3.994 5.551 209 HD12 LEU 26 HD12 LEU 26 16.714 2.521 6.279 210 HD13 LEU 26 HD13 LEU 26 15.643 3.571 7.207 211 HD21 LEU 26 HD21 LEU 26 14.084 3.772 4.155 212 HD22 LEU 26 HD22 LEU 26 13.436 4.172 5.746 213 HD23 LEU 26 HD23 LEU 26 12.742 2.841 4.820 214 H LEU 27 HN LEU 27 15.978 0.183 1.743 215 HA LEU 27 HA LEU 27 18.935 -0.205 2.069 216 HB2 LEU 27 HB2 LEU 27 17.308 -1.870 3.204 217 HB3 LEU 27 HB3 LEU 27 16.923 -2.406 1.568 218 HG LEU 27 HG LEU 27 19.628 -2.436 1.426 219 HD11 LEU 27 HD11 LEU 27 20.033 -1.772 3.707 220 HD12 LEU 27 HD12 LEU 27 20.416 -3.489 3.587 221 HD13 LEU 27 HD13 LEU 27 18.895 -2.975 4.316 222 HD21 LEU 27 HD21 LEU 27 18.174 -4.736 2.733 223 HD22 LEU 27 HD22 LEU 27 19.458 -4.793 1.526 224 HD23 LEU 27 HD23 LEU 27 17.836 -4.276 1.064 225 HA PRO 28 HA PRO 28 17.605 -0.115 -2.420 226 HB2 PRO 28 HB2 PRO 28 17.946 2.520 -3.086 227 HB3 PRO 28 HB3 PRO 28 16.421 1.859 -2.468 228 HG2 PRO 28 HG2 PRO 28 18.314 3.644 -1.164 229 HG3 PRO 28 HG3 PRO 28 16.650 3.255 -0.729 230 HD2 PRO 28 HD2 PRO 28 19.098 2.223 0.413 231 HD3 PRO 28 HD3 PRO 28 17.430 1.969 0.943 232 H ASN 29 HN ASN 29 20.307 1.293 -0.695 233 HA ASN 29 HA ASN 29 22.091 1.565 -2.984 234 HB2 ASN 29 HB2 ASN 29 22.002 2.253 -0.242 235 HB3 ASN 29 HB3 ASN 29 23.407 1.204 -0.427 236 HD21 ASN 29 HD21 ASN 29 22.079 4.356 -1.244 237 HD22 ASN 29 HD22 ASN 29 23.463 4.942 -2.032 238 H ARG 30 HN ARG 30 21.326 -1.006 -0.674 239 HA ARG 30 HA ARG 30 21.994 -3.260 -0.559 240 HB2 ARG 30 HB2 ARG 30 22.444 -2.551 -3.473 241 HB3 ARG 30 HB3 ARG 30 22.560 -4.200 -2.862 242 HG2 ARG 30 HG2 ARG 30 20.114 -2.580 -2.225 243 HG3 ARG 30 HG3 ARG 30 20.269 -3.306 -3.825 244 HD2 ARG 30 HD2 ARG 30 20.118 -5.472 -3.011 245 HD3 ARG 30 HD3 ARG 30 20.834 -5.041 -1.445 246 HE ARG 30 HE ARG 30 18.669 -3.832 -0.949 247 HH11 ARG 30 HH11 ARG 30 18.011 -6.677 -0.774 248 HH12 ARG 30 HH12 ARG 30 16.684 -6.855 -1.872 249 HH21 ARG 30 HH21 ARG 30 17.309 -3.860 -3.525 250 HH22 ARG 30 HH22 ARG 30 16.286 -5.256 -3.438 Start of MODEL 27 1 HA HIS 1 HA HIS 1 -25.460 0.992 4.528 2 HB2 HIS 1 HB2 HIS 1 -22.925 2.236 5.318 3 HB3 HIS 1 HB3 HIS 1 -22.688 0.723 4.444 4 HD1 HIS 1 HD1 HIS 1 -24.043 0.554 2.085 5 HD2 HIS 1 HD2 HIS 1 -23.595 4.379 3.685 6 HE1 HIS 1 HE1 HIS 1 -24.511 2.179 0.200 7 H SER 2 HN SER 2 -24.966 -1.237 4.001 8 HA SER 2 HA SER 2 -24.089 -2.907 6.341 9 HB2 SER 2 HB2 SER 2 -26.245 -3.406 4.264 10 HB3 SER 2 HB3 SER 2 -25.789 -4.538 5.535 11 HG SER 2 HG SER 2 -27.557 -3.288 6.189 12 H VAL 3 HN VAL 3 -22.554 -1.892 3.904 13 HA VAL 3 HA VAL 3 -21.764 -4.577 2.821 14 HB VAL 3 HB VAL 3 -23.071 -2.920 1.334 15 HG11 VAL 3 HG11 VAL 3 -22.005 -1.014 0.496 16 HG12 VAL 3 HG12 VAL 3 -20.400 -1.596 0.937 17 HG13 VAL 3 HG13 VAL 3 -21.497 -1.004 2.186 18 HG21 VAL 3 HG21 VAL 3 -21.757 -3.531 -0.630 19 HG22 VAL 3 HG22 VAL 3 -21.761 -4.880 0.505 20 HG23 VAL 3 HG23 VAL 3 -20.342 -3.840 0.376 21 H SER 4 HN SER 4 -20.707 -2.638 5.041 22 HA SER 4 HA SER 4 -18.049 -1.877 4.062 23 HB2 SER 4 HB2 SER 4 -19.583 -0.756 5.844 24 HB3 SER 4 HB3 SER 4 -18.958 -1.992 6.933 25 HG SER 4 HG SER 4 -17.557 0.029 5.528 26 H HIS 5 HN HIS 5 -19.484 -4.578 5.730 27 HA HIS 5 HA HIS 5 -17.110 -5.702 6.896 28 HB2 HIS 5 HB2 HIS 5 -18.519 -7.704 7.117 29 HB3 HIS 5 HB3 HIS 5 -19.457 -6.266 7.507 30 HD1 HIS 5 HD1 HIS 5 -19.012 -8.865 4.806 31 HD2 HIS 5 HD2 HIS 5 -21.576 -5.708 5.715 32 HE1 HIS 5 HE1 HIS 5 -20.954 -9.031 3.190 33 H ALA 6 HN ALA 6 -18.285 -5.644 3.639 34 HA ALA 6 HA ALA 6 -16.521 -7.884 2.794 35 HB1 ALA 6 HB1 ALA 6 -18.538 -6.144 1.331 36 HB2 ALA 6 HB2 ALA 6 -18.845 -7.754 1.981 37 HB3 ALA 6 HB3 ALA 6 -17.721 -7.544 0.638 38 H ARG 7 HN ARG 7 -15.104 -5.655 3.776 39 HA ARG 7 HA ARG 7 -14.003 -4.422 1.267 40 HB2 ARG 7 HB2 ARG 7 -14.359 -3.358 4.086 41 HB3 ARG 7 HB3 ARG 7 -13.394 -2.530 2.865 42 HG2 ARG 7 HG2 ARG 7 -16.299 -3.296 2.462 43 HG3 ARG 7 HG3 ARG 7 -15.780 -1.712 3.038 44 HD2 ARG 7 HD2 ARG 7 -15.305 -1.046 0.925 45 HD3 ARG 7 HD3 ARG 7 -14.280 -2.470 0.663 46 HE ARG 7 HE ARG 7 -16.513 -3.722 0.305 47 HH11 ARG 7 HH21 ARG 7 -18.086 -1.121 0.764 48 HH12 ARG 7 HH22 ARG 7 -18.454 -0.670 -0.866 49 HH21 ARG 7 HH11 ARG 7 -16.114 -2.823 -2.265 50 HH22 ARG 7 HH12 ARG 7 -17.334 -1.638 -2.588 51 HA PRO 8 HA PRO 8 -10.683 -6.945 3.278 52 HB2 PRO 8 HB2 PRO 8 -9.713 -7.996 0.940 53 HB3 PRO 8 HB3 PRO 8 -11.050 -8.729 1.846 54 HG2 PRO 8 HG2 PRO 8 -11.122 -7.025 -0.590 55 HG3 PRO 8 HG3 PRO 8 -12.117 -8.424 -0.160 56 HD2 PRO 8 HD2 PRO 8 -12.962 -5.834 0.061 57 HD3 PRO 8 HD3 PRO 8 -13.587 -7.168 1.056 58 H ARG 9 HN ARG 9 -9.586 -4.959 3.782 59 HA ARG 9 HA ARG 9 -7.925 -3.302 3.561 60 HB2 ARG 9 HB2 ARG 9 -7.176 -5.512 1.675 61 HB3 ARG 9 HB3 ARG 9 -6.243 -4.017 1.631 62 HG2 ARG 9 HG2 ARG 9 -5.738 -4.201 4.005 63 HG3 ARG 9 HG3 ARG 9 -6.776 -5.620 4.148 64 HD2 ARG 9 HD2 ARG 9 -4.621 -5.747 2.084 65 HD3 ARG 9 HD3 ARG 9 -4.123 -5.860 3.784 66 HE ARG 9 HE ARG 9 -5.359 -7.895 3.983 67 HH11 ARG 9 HH21 ARG 9 -4.425 -8.205 1.090 68 HH12 ARG 9 HH22 ARG 9 -5.895 -8.685 0.312 69 HH21 ARG 9 HH11 ARG 9 -7.922 -7.680 2.952 70 HH22 ARG 9 HH12 ARG 9 -7.883 -8.385 1.371 71 H TRP 10 HN TRP 10 -10.459 -2.983 2.079 72 HA TRP 10 HA TRP 10 -10.028 -1.979 -0.582 73 HB2 TRP 10 HB2 TRP 10 -12.189 -2.693 0.531 74 HB3 TRP 10 HB3 TRP 10 -12.141 -1.188 1.450 75 HD1 TRP 10 HD1 TRP 10 -12.289 1.114 0.026 76 HE1 TRP 10 HE1 TRP 10 -13.431 1.610 -2.230 77 HE3 TRP 10 HE3 TRP 10 -12.835 -3.644 -1.747 78 HZ2 TRP 10 HZ2 TRP 10 -14.448 0.175 -4.487 79 HZ3 TRP 10 HZ3 TRP 10 -13.895 -4.050 -3.950 80 HH2 TRP 10 HH2 TRP 10 -14.701 -2.148 -5.321 81 H PHE 11 HN PHE 11 -9.490 0.085 -1.288 82 HA PHE 11 HA PHE 11 -8.769 2.328 -1.221 83 HB2 PHE 11 HB2 PHE 11 -10.876 2.163 0.474 84 HB3 PHE 11 HB3 PHE 11 -9.621 2.654 1.609 85 HD1 PHE 11 HD1 PHE 11 -11.189 3.539 -1.661 86 HD2 PHE 11 HD2 PHE 11 -8.850 4.891 1.678 87 HE1 PHE 11 HE1 PHE 11 -11.346 5.869 -2.495 88 HE2 PHE 11 HE2 PHE 11 -9.009 7.221 0.845 89 HZ PHE 11 HZ PHE 11 -10.256 7.709 -1.242 90 H TRP 12 HN TRP 12 -7.352 -0.116 0.412 91 HA TRP 12 HA TRP 12 -5.277 1.659 1.650 92 HB2 TRP 12 HB2 TRP 12 -6.174 -1.144 2.392 93 HB3 TRP 12 HB3 TRP 12 -4.901 -0.241 3.209 94 HD1 TRP 12 HD1 TRP 12 -8.213 -1.137 3.901 95 HE1 TRP 12 HE1 TRP 12 -9.505 0.635 5.255 96 HE3 TRP 12 HE3 TRP 12 -5.185 2.914 3.179 97 HZ2 TRP 12 HZ2 TRP 12 -9.284 3.399 5.946 98 HZ3 TRP 12 HZ3 TRP 12 -5.749 5.101 4.198 99 HH2 TRP 12 HH2 TRP 12 -7.793 5.349 5.579 100 H PHE 13 HN PHE 13 -5.820 -0.242 -1.005 101 HA PHE 13 HA PHE 13 -3.424 -1.852 -1.109 102 HB2 PHE 13 HB2 PHE 13 -5.634 -2.013 -2.442 103 HB3 PHE 13 HB3 PHE 13 -4.960 -0.738 -3.459 104 HD1 PHE 13 HD2 PHE 13 -4.343 -4.176 -2.163 105 HD2 PHE 13 HD1 PHE 13 -3.296 -1.212 -5.090 106 HE1 PHE 13 HE2 PHE 13 -3.006 -5.864 -3.395 107 HE2 PHE 13 HE1 PHE 13 -1.959 -2.900 -6.322 108 HZ PHE 13 HZ PHE 13 -1.814 -5.226 -5.474 109 H SER 14 HN SER 14 -4.284 1.348 -2.367 110 HA SER 14 HA SER 14 -1.783 1.906 -3.661 111 HB2 SER 14 HB2 SER 14 -2.620 4.300 -3.387 112 HB3 SER 14 HB3 SER 14 -3.749 3.202 -4.174 113 HG SER 14 HG SER 14 -4.874 4.276 -2.595 114 H LEU 15 HN LEU 15 -2.951 2.298 -0.376 115 HA LEU 15 HA LEU 15 -0.778 3.851 0.693 116 HB2 LEU 15 HB2 LEU 15 -3.131 3.236 1.629 117 HB3 LEU 15 HB3 LEU 15 -2.367 1.743 2.174 118 HG LEU 15 HG LEU 15 -1.118 4.407 2.819 119 HD11 LEU 15 HD11 LEU 15 -2.375 4.355 4.970 120 HD12 LEU 15 HD12 LEU 15 -3.331 3.007 4.351 121 HD13 LEU 15 HD13 LEU 15 -3.435 4.589 3.579 122 HD21 LEU 15 HD21 LEU 15 -0.760 2.740 4.947 123 HD22 LEU 15 HD22 LEU 15 0.359 2.835 3.587 124 HD23 LEU 15 HD23 LEU 15 -0.865 1.565 3.635 125 H LEU 16 HN LEU 16 -1.362 0.329 0.450 126 HA LEU 16 HA LEU 16 1.016 -0.547 1.775 127 HB2 LEU 16 HB2 LEU 16 -1.129 -1.810 1.056 128 HB3 LEU 16 HB3 LEU 16 -0.361 -1.942 -0.526 129 HG LEU 16 HG LEU 16 1.415 -2.682 1.699 130 HD11 LEU 16 HD11 LEU 16 0.334 -4.734 2.299 131 HD12 LEU 16 HD12 LEU 16 -0.903 -4.519 1.062 132 HD13 LEU 16 HD13 LEU 16 -0.880 -3.468 2.478 133 HD21 LEU 16 HD21 LEU 16 0.537 -4.332 -0.676 134 HD22 LEU 16 HD22 LEU 16 2.077 -4.386 0.181 135 HD23 LEU 16 HD23 LEU 16 1.687 -3.006 -0.848 136 H LEU 17 HN LEU 17 0.345 0.263 -1.592 137 HA LEU 17 HA LEU 17 2.834 -0.550 -2.739 138 HB2 LEU 17 HB2 LEU 17 0.564 0.249 -3.771 139 HB3 LEU 17 HB3 LEU 17 1.256 1.863 -3.619 140 HG LEU 17 HG LEU 17 3.046 -0.164 -4.826 141 HD11 LEU 17 HD11 LEU 17 0.798 -0.737 -5.786 142 HD12 LEU 17 HD12 LEU 17 1.944 -0.143 -6.989 143 HD13 LEU 17 HD13 LEU 17 0.677 0.920 -6.377 144 HD21 LEU 17 HD21 LEU 17 2.268 2.505 -5.975 145 HD22 LEU 17 HD22 LEU 17 3.828 1.686 -6.029 146 HD23 LEU 17 HD23 LEU 17 3.280 2.440 -4.533 147 H LEU 18 HN LEU 18 1.796 2.411 -1.153 148 HA LEU 18 HA LEU 18 4.202 3.940 -1.628 149 HB2 LEU 18 HB2 LEU 18 1.771 4.628 -0.936 150 HB3 LEU 18 HB3 LEU 18 2.327 4.294 0.705 151 HG LEU 18 HG LEU 18 4.140 5.962 -0.954 152 HD11 LEU 18 HD11 LEU 18 1.826 6.784 -1.532 153 HD12 LEU 18 HD12 LEU 18 2.830 7.980 -0.712 154 HD13 LEU 18 HD13 LEU 18 1.577 7.117 0.182 155 HD21 LEU 18 HD21 LEU 18 4.279 5.280 1.563 156 HD22 LEU 18 HD22 LEU 18 3.065 6.536 1.805 157 HD23 LEU 18 HD23 LEU 18 4.639 6.949 1.125 158 H ALA 19 HN ALA 19 3.070 1.837 0.972 159 HA ALA 19 HA ALA 19 5.226 2.316 2.826 160 HB1 ALA 19 HB1 ALA 19 3.724 -0.284 2.535 161 HB2 ALA 19 HB2 ALA 19 2.886 1.173 3.072 162 HB3 ALA 19 HB3 ALA 19 4.234 0.533 4.012 163 H ALA 20 HN ALA 20 4.766 -0.014 0.170 164 HA ALA 20 HA ALA 20 7.086 -1.632 0.636 165 HB1 ALA 20 HB1 ALA 20 6.745 -2.148 -1.823 166 HB2 ALA 20 HB2 ALA 20 5.515 -0.884 -1.852 167 HB3 ALA 20 HB3 ALA 20 5.290 -2.313 -0.842 168 H GLY 21 HN GLY 21 6.605 1.329 -1.316 169 HA2 GLY 21 HA2 GLY 21 9.240 1.456 -2.421 170 HA3 GLY 21 HA3 GLY 21 8.158 2.835 -2.227 171 H VAL 22 HN VAL 22 7.872 2.687 0.622 172 HA VAL 22 HA VAL 22 10.163 4.184 1.497 173 HB VAL 22 HB VAL 22 7.984 2.718 3.033 174 HG11 VAL 22 HG11 VAL 22 9.831 3.302 4.517 175 HG12 VAL 22 HG12 VAL 22 8.482 4.398 4.814 176 HG13 VAL 22 HG13 VAL 22 9.870 4.943 3.870 177 HG21 VAL 22 HG21 VAL 22 6.591 4.433 2.521 178 HG22 VAL 22 HG22 VAL 22 7.734 4.813 1.234 179 HG23 VAL 22 HG23 VAL 22 7.848 5.640 2.786 180 H GLY 23 HN GLY 23 9.208 0.770 1.955 181 HA2 GLY 23 HA2 GLY 23 11.351 0.041 3.710 182 HA3 GLY 23 HA3 GLY 23 10.439 -1.084 2.704 183 H ILE 24 HN ILE 24 11.064 -0.021 0.149 184 HA ILE 24 HA ILE 24 13.631 -1.234 -0.359 185 HB ILE 24 HB ILE 24 11.853 0.636 -1.974 186 HG12 ILE 24 HG12 ILE 24 12.196 -2.292 -2.509 187 HG13 ILE 24 HG13 ILE 24 11.180 -1.810 -1.151 188 HG21 ILE 24 HG21 ILE 24 14.050 0.744 -2.947 189 HG22 ILE 24 HG22 ILE 24 13.110 -0.373 -3.937 190 HG23 ILE 24 HG23 ILE 24 14.277 -0.996 -2.771 191 HD11 ILE 24 HD11 ILE 24 10.856 -0.985 -4.049 192 HD12 ILE 24 HD12 ILE 24 9.931 -0.289 -2.719 193 HD13 ILE 24 HD13 ILE 24 9.766 -2.000 -3.105 194 H TYR 25 HN TYR 25 12.598 2.165 0.086 195 HA TYR 25 HA TYR 25 15.102 3.378 -0.656 196 HB2 TYR 25 HB2 TYR 25 12.716 4.364 -0.234 197 HB3 TYR 25 HB3 TYR 25 13.235 4.458 1.451 198 HD1 TYR 25 HD2 TYR 25 15.127 5.889 2.116 199 HD2 TYR 25 HD1 TYR 25 13.740 5.754 -1.948 200 HE1 TYR 25 HE2 TYR 25 16.400 7.956 1.612 201 HE2 TYR 25 HE1 TYR 25 15.015 7.820 -2.451 202 HH TYR 25 HH TYR 25 17.407 8.921 -0.921 203 H LEU 26 HN LEU 26 13.985 1.772 2.260 204 HA LEU 26 HA LEU 26 16.170 2.745 3.961 205 HB2 LEU 26 HB2 LEU 26 13.756 1.054 4.121 206 HB3 LEU 26 HB3 LEU 26 15.085 0.474 5.122 207 HG LEU 26 HG LEU 26 13.665 2.031 6.391 208 HD11 LEU 26 HD11 LEU 26 16.299 1.979 6.483 209 HD12 LEU 26 HD12 LEU 26 15.413 3.229 7.356 210 HD13 LEU 26 HD13 LEU 26 16.157 3.599 5.801 211 HD21 LEU 26 HD21 LEU 26 12.786 3.376 4.559 212 HD22 LEU 26 HD22 LEU 26 14.398 3.981 4.183 213 HD23 LEU 26 HD23 LEU 26 13.616 4.438 5.695 214 H LEU 27 HN LEU 27 15.577 0.102 1.736 215 HA LEU 27 HA LEU 27 18.299 -1.007 2.339 216 HB2 LEU 27 HB2 LEU 27 16.089 -2.221 3.126 217 HB3 LEU 27 HB3 LEU 27 15.982 -2.698 1.430 218 HG LEU 27 HG LEU 27 18.583 -3.277 1.891 219 HD11 LEU 27 HD11 LEU 27 18.896 -4.193 4.097 220 HD12 LEU 27 HD12 LEU 27 17.201 -3.923 4.509 221 HD13 LEU 27 HD13 LEU 27 18.289 -2.549 4.299 222 HD21 LEU 27 HD21 LEU 27 16.855 -4.802 0.983 223 HD22 LEU 27 HD22 LEU 27 16.237 -5.064 2.614 224 HD23 LEU 27 HD23 LEU 27 17.856 -5.615 2.186 225 HA PRO 28 HA PRO 28 17.577 -0.461 -2.253 226 HB2 PRO 28 HB2 PRO 28 18.534 2.059 -2.725 227 HB3 PRO 28 HB3 PRO 28 16.844 1.723 -2.306 228 HG2 PRO 28 HG2 PRO 28 18.905 3.018 -0.716 229 HG3 PRO 28 HG3 PRO 28 17.159 2.970 -0.470 230 HD2 PRO 28 HD2 PRO 28 19.216 1.395 0.830 231 HD3 PRO 28 HD3 PRO 28 17.490 1.501 1.204 232 H ASN 29 HN ASN 29 20.281 0.222 -0.151 233 HA ASN 29 HA ASN 29 22.280 0.003 -2.332 234 HB2 ASN 29 HB2 ASN 29 22.102 1.423 0.010 235 HB3 ASN 29 HB3 ASN 29 23.129 0.074 0.496 236 HD21 ASN 29 HD21 ASN 29 24.954 -0.409 -1.275 237 HD22 ASN 29 HD22 ASN 29 25.734 0.968 -1.893 238 H ARG 30 HN ARG 30 20.495 -2.274 -0.760 239 HA ARG 30 HA ARG 30 22.799 -4.160 -0.405 240 HB2 ARG 30 HB2 ARG 30 20.006 -3.998 0.757 241 HB3 ARG 30 HB3 ARG 30 21.028 -5.421 0.952 242 HG2 ARG 30 HG2 ARG 30 21.919 -2.633 1.732 243 HG3 ARG 30 HG3 ARG 30 21.145 -3.745 2.860 244 HD2 ARG 30 HD2 ARG 30 23.240 -5.170 1.507 245 HD3 ARG 30 HD3 ARG 30 23.905 -3.651 2.140 246 HE ARG 30 HE ARG 30 22.538 -5.736 3.780 247 HH11 ARG 30 HH21 ARG 30 25.436 -4.859 4.123 248 HH12 ARG 30 HH22 ARG 30 25.315 -3.824 5.507 249 HH21 ARG 30 HH11 ARG 30 21.861 -3.492 5.282 250 HH22 ARG 30 HH12 ARG 30 23.283 -3.047 6.166 Start of MODEL 28 1 HA HIS 1 HA HIS 1 -12.758 -15.051 5.683 2 HB2 HIS 1 HB2 HIS 1 -10.280 -16.690 6.103 3 HB3 HIS 1 HB3 HIS 1 -11.181 -16.154 7.521 4 HD1 HIS 1 HD1 HIS 1 -11.106 -18.805 5.068 5 HD2 HIS 1 HD2 HIS 1 -14.103 -16.900 7.252 6 HE1 HIS 1 HE1 HIS 1 -13.129 -20.326 4.987 7 H SER 2 HN SER 2 -12.763 -13.558 7.436 8 HA SER 2 HA SER 2 -10.288 -12.028 8.032 9 HB2 SER 2 HB2 SER 2 -11.659 -9.901 7.545 10 HB3 SER 2 HB3 SER 2 -11.119 -10.825 6.148 11 HG SER 2 HG SER 2 -13.543 -10.131 6.648 12 H VAL 3 HN VAL 3 -11.555 -13.731 9.784 13 HA VAL 3 HA VAL 3 -12.826 -13.922 11.779 14 HB VAL 3 HB VAL 3 -11.919 -12.301 13.433 15 HG11 VAL 3 HG11 VAL 3 -10.617 -14.284 12.735 16 HG12 VAL 3 HG12 VAL 3 -9.563 -12.925 13.132 17 HG13 VAL 3 HG13 VAL 3 -9.877 -13.335 11.445 18 HG21 VAL 3 HG21 VAL 3 -11.933 -10.338 11.819 19 HG22 VAL 3 HG22 VAL 3 -10.489 -11.034 11.082 20 HG23 VAL 3 HG23 VAL 3 -10.455 -10.513 12.766 21 H SER 4 HN SER 4 -14.517 -12.769 9.827 22 HA SER 4 HA SER 4 -16.668 -11.817 9.785 23 HB2 SER 4 HB2 SER 4 -16.411 -12.538 12.306 24 HB3 SER 4 HB3 SER 4 -16.298 -10.801 12.577 25 HG SER 4 HG SER 4 -18.472 -11.794 12.602 26 H HIS 5 HN HIS 5 -14.030 -9.872 11.070 27 HA HIS 5 HA HIS 5 -14.696 -7.658 9.308 28 HB2 HIS 5 HB2 HIS 5 -14.910 -6.123 11.455 29 HB3 HIS 5 HB3 HIS 5 -16.311 -6.987 10.838 30 HD1 HIS 5 HD1 HIS 5 -13.452 -7.891 13.226 31 HD2 HIS 5 HD2 HIS 5 -17.597 -8.232 12.928 32 HE1 HIS 5 HE1 HIS 5 -14.224 -9.096 15.314 33 H ALA 6 HN ALA 6 -12.463 -8.236 8.781 34 HA ALA 6 HA ALA 6 -10.414 -7.424 10.803 35 HB1 ALA 6 HB1 ALA 6 -9.980 -8.761 8.124 36 HB2 ALA 6 HB2 ALA 6 -10.449 -9.677 9.556 37 HB3 ALA 6 HB3 ALA 6 -8.925 -8.790 9.537 38 H ARG 7 HN ARG 7 -11.997 -5.395 9.410 39 HA ARG 7 HA ARG 7 -11.618 -3.294 8.423 40 HB2 ARG 7 HB2 ARG 7 -9.394 -3.782 9.734 41 HB3 ARG 7 HB3 ARG 7 -8.715 -4.021 8.124 42 HG2 ARG 7 HG2 ARG 7 -9.597 -1.772 7.469 43 HG3 ARG 7 HG3 ARG 7 -10.123 -1.532 9.136 44 HD2 ARG 7 HD2 ARG 7 -7.978 -0.474 9.005 45 HD3 ARG 7 HD3 ARG 7 -7.663 -2.036 9.787 46 HE ARG 7 HE ARG 7 -7.373 -2.718 7.175 47 HH11 ARG 7 HH11 ARG 7 -5.195 -1.691 9.271 48 HH12 ARG 7 HH12 ARG 7 -4.230 -0.734 8.196 49 HH21 ARG 7 HH21 ARG 7 -6.593 -0.744 5.645 50 HH22 ARG 7 HH22 ARG 7 -5.028 -0.188 6.140 51 HA PRO 8 HA PRO 8 -11.834 -4.546 4.168 52 HB2 PRO 8 HB2 PRO 8 -12.463 -2.095 3.122 53 HB3 PRO 8 HB3 PRO 8 -13.637 -3.109 3.985 54 HG2 PRO 8 HG2 PRO 8 -12.110 -0.745 4.948 55 HG3 PRO 8 HG3 PRO 8 -13.777 -1.228 5.291 56 HD2 PRO 8 HD2 PRO 8 -11.698 -1.613 7.021 57 HD3 PRO 8 HD3 PRO 8 -13.160 -2.623 6.992 58 H ARG 9 HN ARG 9 -9.706 -5.008 3.528 59 HA ARG 9 HA ARG 9 -7.536 -3.121 3.456 60 HB2 ARG 9 HB2 ARG 9 -8.154 -5.833 2.320 61 HB3 ARG 9 HB3 ARG 9 -6.703 -4.991 1.776 62 HG2 ARG 9 HG2 ARG 9 -6.424 -4.611 4.420 63 HG3 ARG 9 HG3 ARG 9 -7.351 -6.110 4.462 64 HD2 ARG 9 HD2 ARG 9 -5.077 -6.825 4.379 65 HD3 ARG 9 HD3 ARG 9 -5.634 -6.973 2.700 66 HE ARG 9 HE ARG 9 -4.396 -4.983 2.144 67 HH11 ARG 9 HH21 ARG 9 -2.287 -6.253 3.803 68 HH12 ARG 9 HH22 ARG 9 -1.860 -4.992 4.910 69 HH21 ARG 9 HH11 ARG 9 -4.737 -3.133 4.307 70 HH22 ARG 9 HH12 ARG 9 -3.256 -3.224 5.203 71 H TRP 10 HN TRP 10 -10.137 -3.803 1.192 72 HA TRP 10 HA TRP 10 -9.065 -2.946 -1.270 73 HB2 TRP 10 HB2 TRP 10 -11.691 -3.175 0.048 74 HB3 TRP 10 HB3 TRP 10 -11.653 -1.961 -1.229 75 HD1 TRP 10 HD1 TRP 10 -11.585 -2.774 -3.673 76 HE1 TRP 10 HE1 TRP 10 -11.547 -5.090 -4.804 77 HE3 TRP 10 HE3 TRP 10 -10.752 -5.735 0.405 78 HZ2 TRP 10 HZ2 TRP 10 -11.209 -7.835 -4.075 79 HZ3 TRP 10 HZ3 TRP 10 -10.576 -8.194 0.158 80 HH2 TRP 10 HH2 TRP 10 -10.803 -9.247 -2.076 81 H PHE 11 HN PHE 11 -9.003 -0.867 -2.298 82 HA PHE 11 HA PHE 11 -8.898 1.497 -2.452 83 HB2 PHE 11 HB2 PHE 11 -10.927 1.239 -0.827 84 HB3 PHE 11 HB3 PHE 11 -9.769 1.665 0.432 85 HD1 PHE 11 HD2 PHE 11 -11.343 2.827 -2.729 86 HD2 PHE 11 HD1 PHE 11 -8.953 3.902 0.676 87 HE1 PHE 11 HE2 PHE 11 -11.565 5.224 -3.330 88 HE2 PHE 11 HE1 PHE 11 -9.174 6.298 0.074 89 HZ PHE 11 HZ PHE 11 -10.480 6.958 -1.928 90 H TRP 12 HN TRP 12 -7.757 0.089 0.646 91 HA TRP 12 HA TRP 12 -5.636 2.054 0.994 92 HB2 TRP 12 HB2 TRP 12 -6.400 -0.592 2.233 93 HB3 TRP 12 HB3 TRP 12 -4.946 0.266 2.733 94 HD1 TRP 12 HD1 TRP 12 -8.245 -0.148 3.905 95 HE1 TRP 12 HE1 TRP 12 -9.125 1.902 5.195 96 HE3 TRP 12 HE3 TRP 12 -4.867 3.366 2.380 97 HZ2 TRP 12 HZ2 TRP 12 -8.484 4.671 5.529 98 HZ3 TRP 12 HZ3 TRP 12 -5.026 5.700 3.198 99 HH2 TRP 12 HH2 TRP 12 -6.829 6.356 4.768 100 H PHE 13 HN PHE 13 -5.871 -0.242 -1.358 101 HA PHE 13 HA PHE 13 -3.411 -1.684 -1.232 102 HB2 PHE 13 HB2 PHE 13 -5.492 -1.953 -2.747 103 HB3 PHE 13 HB3 PHE 13 -4.745 -0.716 -3.760 104 HD1 PHE 13 HD1 PHE 13 -4.391 -4.140 -2.413 105 HD2 PHE 13 HD2 PHE 13 -2.736 -1.167 -5.036 106 HE1 PHE 13 HE1 PHE 13 -2.917 -5.857 -3.430 107 HE2 PHE 13 HE2 PHE 13 -1.264 -2.884 -6.054 108 HZ PHE 13 HZ PHE 13 -1.354 -5.230 -5.251 109 H SER 14 HN SER 14 -4.214 1.483 -2.578 110 HA SER 14 HA SER 14 -1.684 2.065 -3.796 111 HB2 SER 14 HB2 SER 14 -3.987 3.233 -3.981 112 HB3 SER 14 HB3 SER 14 -3.544 4.062 -2.492 113 HG SER 14 HG SER 14 -2.953 5.224 -4.398 114 H LEU 15 HN LEU 15 -2.922 2.437 -0.533 115 HA LEU 15 HA LEU 15 -0.726 3.962 0.563 116 HB2 LEU 15 HB2 LEU 15 -3.028 3.725 1.522 117 HB3 LEU 15 HB3 LEU 15 -2.679 2.032 1.872 118 HG LEU 15 HG LEU 15 -0.556 3.702 2.900 119 HD11 LEU 15 HD11 LEU 15 -3.214 4.259 4.205 120 HD12 LEU 15 HD12 LEU 15 -2.619 5.295 2.907 121 HD13 LEU 15 HD13 LEU 15 -1.687 5.122 4.394 122 HD21 LEU 15 HD21 LEU 15 -1.265 2.560 5.027 123 HD22 LEU 15 HD22 LEU 15 -1.003 1.445 3.686 124 HD23 LEU 15 HD23 LEU 15 -2.643 1.890 4.155 125 H LEU 16 HN LEU 16 -1.465 0.467 0.395 126 HA LEU 16 HA LEU 16 0.796 -0.462 1.889 127 HB2 LEU 16 HB2 LEU 16 -1.388 -1.630 1.080 128 HB3 LEU 16 HB3 LEU 16 -0.498 -1.919 -0.414 129 HG LEU 16 HG LEU 16 0.971 -2.601 2.064 130 HD11 LEU 16 HD11 LEU 16 -1.238 -4.444 1.139 131 HD12 LEU 16 HD12 LEU 16 -1.486 -3.286 2.447 132 HD13 LEU 16 HD13 LEU 16 -0.268 -4.550 2.609 133 HD21 LEU 16 HD21 LEU 16 0.404 -4.318 -0.358 134 HD22 LEU 16 HD22 LEU 16 1.808 -4.357 0.710 135 HD23 LEU 16 HD23 LEU 16 1.594 -3.016 -0.416 136 H LEU 17 HN LEU 17 0.333 0.225 -1.540 137 HA LEU 17 HA LEU 17 2.836 -0.754 -2.515 138 HB2 LEU 17 HB2 LEU 17 0.669 0.061 -3.715 139 HB3 LEU 17 HB3 LEU 17 1.390 1.667 -3.587 140 HG LEU 17 HG LEU 17 3.212 -0.431 -4.595 141 HD11 LEU 17 HD11 LEU 17 2.235 -0.612 -6.777 142 HD12 LEU 17 HD12 LEU 17 1.003 0.591 -6.395 143 HD13 LEU 17 HD13 LEU 17 0.956 -0.996 -5.626 144 HD21 LEU 17 HD21 LEU 17 4.085 1.348 -5.828 145 HD22 LEU 17 HD22 LEU 17 3.418 2.198 -4.435 146 HD23 LEU 17 HD23 LEU 17 2.524 2.158 -5.954 147 H LEU 18 HN LEU 18 1.875 2.278 -1.037 148 HA LEU 18 HA LEU 18 4.335 3.722 -1.516 149 HB2 LEU 18 HB2 LEU 18 1.955 4.555 -0.922 150 HB3 LEU 18 HB3 LEU 18 2.378 4.157 0.745 151 HG LEU 18 HG LEU 18 4.452 5.706 -0.653 152 HD11 LEU 18 HD11 LEU 18 1.679 6.847 -0.229 153 HD12 LEU 18 HD12 LEU 18 2.608 6.813 -1.727 154 HD13 LEU 18 HD13 LEU 18 3.119 7.851 -0.396 155 HD21 LEU 18 HD21 LEU 18 2.940 6.371 1.879 156 HD22 LEU 18 HD22 LEU 18 4.596 6.803 1.453 157 HD23 LEU 18 HD23 LEU 18 4.193 5.131 1.847 158 H ALA 19 HN ALA 19 3.095 1.720 1.117 159 HA ALA 19 HA ALA 19 5.216 2.180 3.006 160 HB1 ALA 19 HB1 ALA 19 3.436 -0.242 2.552 161 HB2 ALA 19 HB2 ALA 19 2.992 1.179 3.498 162 HB3 ALA 19 HB3 ALA 19 4.303 0.131 4.041 163 H ALA 20 HN ALA 20 4.776 -0.212 0.398 164 HA ALA 20 HA ALA 20 7.093 -1.816 0.926 165 HB1 ALA 20 HB1 ALA 20 5.527 -1.138 -1.584 166 HB2 ALA 20 HB2 ALA 20 5.319 -2.549 -0.546 167 HB3 ALA 20 HB3 ALA 20 6.773 -2.386 -1.531 168 H GLY 21 HN GLY 21 6.629 1.127 -1.045 169 HA2 GLY 21 HA2 GLY 21 9.274 1.213 -2.153 170 HA3 GLY 21 HA3 GLY 21 8.188 2.597 -2.006 171 H VAL 22 HN VAL 22 7.884 2.480 0.864 172 HA VAL 22 HA VAL 22 10.134 4.041 1.721 173 HB VAL 22 HB VAL 22 8.011 2.508 3.271 174 HG11 VAL 22 HG11 VAL 22 8.483 4.181 5.064 175 HG12 VAL 22 HG12 VAL 22 9.846 4.772 4.114 176 HG13 VAL 22 HG13 VAL 22 9.859 3.126 4.743 177 HG21 VAL 22 HG21 VAL 22 7.732 4.643 1.498 178 HG22 VAL 22 HG22 VAL 22 7.775 5.417 3.082 179 HG23 VAL 22 HG23 VAL 22 6.572 4.174 2.741 180 H GLY 23 HN GLY 23 9.290 0.600 2.218 181 HA2 GLY 23 HA2 GLY 23 11.500 -0.040 3.931 182 HA3 GLY 23 HA3 GLY 23 10.589 -1.205 2.968 183 H ILE 24 HN ILE 24 11.098 -0.188 0.383 184 HA ILE 24 HA ILE 24 13.697 -1.312 -0.184 185 HB ILE 24 HB ILE 24 11.759 0.412 -1.775 186 HG12 ILE 24 HG12 ILE 24 12.290 -2.523 -2.176 187 HG13 ILE 24 HG13 ILE 24 11.204 -2.002 -0.887 188 HG21 ILE 24 HG21 ILE 24 14.229 -1.111 -2.656 189 HG22 ILE 24 HG22 ILE 24 13.935 0.621 -2.812 190 HG23 ILE 24 HG23 ILE 24 12.994 -0.522 -3.769 191 HD11 ILE 24 HD11 ILE 24 10.181 -0.509 -2.846 192 HD12 ILE 24 HD12 ILE 24 9.680 -2.183 -2.613 193 HD13 ILE 24 HD13 ILE 24 10.872 -1.784 -3.849 194 H TYR 25 HN TYR 25 12.527 2.046 0.211 195 HA TYR 25 HA TYR 25 14.916 3.368 -0.685 196 HB2 TYR 25 HB2 TYR 25 12.559 4.291 -0.201 197 HB3 TYR 25 HB3 TYR 25 13.050 4.329 1.495 198 HD1 TYR 25 HD1 TYR 25 13.668 5.722 -1.867 199 HD2 TYR 25 HD2 TYR 25 14.769 5.863 2.283 200 HE1 TYR 25 HE1 TYR 25 14.876 7.852 -2.259 201 HE2 TYR 25 HE2 TYR 25 15.974 7.993 1.891 202 HH TYR 25 HH TYR 25 15.558 9.966 -0.291 203 H LEU 26 HN LEU 26 14.054 1.791 2.340 204 HA LEU 26 HA LEU 26 16.322 2.898 3.849 205 HB2 LEU 26 HB2 LEU 26 14.015 1.056 4.242 206 HB3 LEU 26 HB3 LEU 26 15.423 0.748 5.260 207 HG LEU 26 HG LEU 26 14.374 3.552 4.969 208 HD11 LEU 26 HD11 LEU 26 12.374 2.545 5.663 209 HD12 LEU 26 HD12 LEU 26 13.142 2.949 7.199 210 HD13 LEU 26 HD13 LEU 26 13.210 1.296 6.586 211 HD21 LEU 26 HD21 LEU 26 16.564 3.077 6.077 212 HD22 LEU 26 HD22 LEU 26 15.721 2.061 7.246 213 HD23 LEU 26 HD23 LEU 26 15.390 3.792 7.182 214 H LEU 27 HN LEU 27 15.688 0.211 1.717 215 HA LEU 27 HA LEU 27 18.441 -0.860 2.228 216 HB2 LEU 27 HB2 LEU 27 16.064 -2.019 2.975 217 HB3 LEU 27 HB3 LEU 27 16.311 -2.742 1.388 218 HG LEU 27 HG LEU 27 17.356 -4.174 3.042 219 HD11 LEU 27 HD11 LEU 27 19.573 -4.304 2.174 220 HD12 LEU 27 HD12 LEU 27 19.615 -2.578 1.820 221 HD13 LEU 27 HD13 LEU 27 18.589 -3.650 0.866 222 HD21 LEU 27 HD21 LEU 27 17.576 -2.506 4.841 223 HD22 LEU 27 HD22 LEU 27 18.844 -1.682 3.934 224 HD23 LEU 27 HD23 LEU 27 19.118 -3.311 4.553 225 HA PRO 28 HA PRO 28 17.480 -0.436 -2.343 226 HB2 PRO 28 HB2 PRO 28 18.268 2.118 -2.921 227 HB3 PRO 28 HB3 PRO 28 16.624 1.705 -2.400 228 HG2 PRO 28 HG2 PRO 28 18.695 3.148 -0.960 229 HG3 PRO 28 HG3 PRO 28 16.972 3.009 -0.610 230 HD2 PRO 28 HD2 PRO 28 19.191 1.575 0.591 231 HD3 PRO 28 HD3 PRO 28 17.491 1.611 1.078 232 H ASN 29 HN ASN 29 20.244 0.416 -0.399 233 HA ASN 29 HA ASN 29 22.229 0.672 -2.474 234 HB2 ASN 29 HB2 ASN 29 22.457 -0.217 0.423 235 HB3 ASN 29 HB3 ASN 29 23.782 0.380 -0.575 236 HD21 ASN 29 HD21 ASN 29 21.945 1.444 1.876 237 HD22 ASN 29 HD22 ASN 29 21.754 3.076 1.451 238 H ARG 30 HN ARG 30 21.004 -2.121 -0.625 239 HA ARG 30 HA ARG 30 22.585 -3.912 -2.444 240 HB2 ARG 30 HB2 ARG 30 22.092 -3.890 0.520 241 HB3 ARG 30 HB3 ARG 30 22.360 -5.435 -0.289 242 HG2 ARG 30 HG2 ARG 30 24.225 -3.095 -0.700 243 HG3 ARG 30 HG3 ARG 30 24.440 -4.223 0.638 244 HD2 ARG 30 HD2 ARG 30 24.744 -6.084 -0.858 245 HD3 ARG 30 HD3 ARG 30 24.226 -5.120 -2.255 246 HE ARG 30 HE ARG 30 26.263 -3.695 -1.870 247 HH11 ARG 30 HH21 ARG 30 26.950 -4.786 0.850 248 HH12 ARG 30 HH22 ARG 30 28.252 -5.868 0.485 249 HH21 ARG 30 HH11 ARG 30 27.550 -5.971 -2.920 250 HH22 ARG 30 HH12 ARG 30 28.594 -6.542 -1.662 Start of MODEL 29 1 HA HIS 1 HA HIS 1 -15.547 2.654 -2.071 2 HB2 HIS 1 HB2 HIS 1 -17.374 2.716 -4.108 3 HB3 HIS 1 HB3 HIS 1 -17.656 4.286 -3.358 4 HD1 HIS 1 HD1 HIS 1 -15.182 2.380 -5.373 5 HD2 HIS 1 HD2 HIS 1 -15.337 6.025 -3.356 6 HE1 HIS 1 HE1 HIS 1 -13.185 3.721 -6.163 7 H SER 2 HN SER 2 -17.688 2.451 0.191 8 HA SER 2 HA SER 2 -17.782 5.361 0.919 9 HB2 SER 2 HB2 SER 2 -19.674 4.562 2.398 10 HB3 SER 2 HB3 SER 2 -19.966 4.333 0.677 11 HG SER 2 HG SER 2 -19.538 2.479 2.695 12 H VAL 3 HN VAL 3 -15.363 3.977 1.346 13 HA VAL 3 HA VAL 3 -13.774 3.529 3.022 14 HB VAL 3 HB VAL 3 -15.857 4.818 4.819 15 HG11 VAL 3 HG11 VAL 3 -13.098 3.943 5.154 16 HG12 VAL 3 HG12 VAL 3 -14.249 4.497 6.370 17 HG13 VAL 3 HG13 VAL 3 -13.274 5.666 5.482 18 HG21 VAL 3 HG21 VAL 3 -15.605 6.339 3.005 19 HG22 VAL 3 HG22 VAL 3 -13.880 6.004 2.860 20 HG23 VAL 3 HG23 VAL 3 -14.486 6.926 4.236 21 H SER 4 HN SER 4 -16.294 1.680 2.590 22 HA SER 4 HA SER 4 -16.134 0.198 5.181 23 HB2 SER 4 HB2 SER 4 -18.299 1.081 3.834 24 HB3 SER 4 HB3 SER 4 -18.107 -0.491 3.064 25 HG SER 4 HG SER 4 -18.329 -1.473 5.029 26 H HIS 5 HN HIS 5 -15.207 0.083 1.875 27 HA HIS 5 HA HIS 5 -14.737 -2.865 1.959 28 HB2 HIS 5 HB2 HIS 5 -15.627 -0.987 0.023 29 HB3 HIS 5 HB3 HIS 5 -14.048 -1.547 -0.522 30 HD1 HIS 5 HD1 HIS 5 -13.810 -4.045 -1.158 31 HD2 HIS 5 HD2 HIS 5 -17.638 -3.019 0.140 32 HE1 HIS 5 HE1 HIS 5 -15.309 -6.007 -1.720 33 H ALA 6 HN ALA 6 -13.061 -1.135 3.574 34 HA ALA 6 HA ALA 6 -10.491 -1.048 2.056 35 HB1 ALA 6 HB1 ALA 6 -9.814 0.413 3.985 36 HB2 ALA 6 HB2 ALA 6 -11.433 0.204 4.651 37 HB3 ALA 6 HB3 ALA 6 -11.214 1.025 3.106 38 H ARG 7 HN ARG 7 -12.096 -3.197 4.007 39 HA ARG 7 HA ARG 7 -10.168 -3.972 5.969 40 HB2 ARG 7 HB2 ARG 7 -12.711 -4.683 5.272 41 HB3 ARG 7 HB3 ARG 7 -11.812 -6.082 4.685 42 HG2 ARG 7 HG2 ARG 7 -10.869 -5.264 7.311 43 HG3 ARG 7 HG3 ARG 7 -12.600 -5.597 7.332 44 HD2 ARG 7 HD2 ARG 7 -11.447 -7.688 7.784 45 HD3 ARG 7 HD3 ARG 7 -12.085 -7.788 6.132 46 HE ARG 7 HE ARG 7 -9.329 -6.729 6.456 47 HH11 ARG 7 HH21 ARG 7 -10.721 -7.797 3.913 48 HH12 ARG 7 HH22 ARG 7 -9.888 -9.299 3.704 49 HH21 ARG 7 HH11 ARG 7 -8.569 -9.312 6.922 50 HH22 ARG 7 HH12 ARG 7 -8.667 -10.166 5.418 51 HA PRO 8 HA PRO 8 -8.451 -7.019 2.701 52 HB2 PRO 8 HB2 PRO 8 -9.218 -6.717 0.092 53 HB3 PRO 8 HB3 PRO 8 -10.098 -7.743 1.240 54 HG2 PRO 8 HG2 PRO 8 -10.747 -5.021 0.253 55 HG3 PRO 8 HG3 PRO 8 -11.825 -6.368 0.650 56 HD2 PRO 8 HD2 PRO 8 -11.380 -4.199 2.276 57 HD3 PRO 8 HD3 PRO 8 -11.945 -5.783 2.845 58 H ARG 9 HN ARG 9 -7.030 -6.646 0.483 59 HA ARG 9 HA ARG 9 -5.577 -4.108 0.942 60 HB2 ARG 9 HB2 ARG 9 -5.152 -6.652 -0.631 61 HB3 ARG 9 HB3 ARG 9 -4.077 -5.268 -0.827 62 HG2 ARG 9 HG2 ARG 9 -3.236 -5.435 1.326 63 HG3 ARG 9 HG3 ARG 9 -4.698 -6.198 1.950 64 HD2 ARG 9 HD2 ARG 9 -4.138 -8.290 0.773 65 HD3 ARG 9 HD3 ARG 9 -2.682 -7.530 0.102 66 HE ARG 9 HE ARG 9 -3.027 -7.542 3.061 67 HH11 ARG 9 HH21 ARG 9 -0.496 -6.810 1.472 68 HH12 ARG 9 HH22 ARG 9 0.472 -8.218 1.740 69 HH21 ARG 9 HH11 ARG 9 -2.188 -10.152 2.865 70 HH22 ARG 9 HH12 ARG 9 -0.489 -10.119 2.532 71 H TRP 10 HN TRP 10 -8.320 -4.315 -0.558 72 HA TRP 10 HA TRP 10 -7.788 -3.651 -3.329 73 HB2 TRP 10 HB2 TRP 10 -9.938 -4.451 -1.872 74 HB3 TRP 10 HB3 TRP 10 -10.275 -2.724 -1.975 75 HD1 TRP 10 HD1 TRP 10 -9.845 -1.759 -4.667 76 HE1 TRP 10 HE1 TRP 10 -10.830 -2.808 -6.807 77 HE3 TRP 10 HE3 TRP 10 -10.849 -6.468 -2.963 78 HZ2 TRP 10 HZ2 TRP 10 -11.902 -5.312 -7.681 79 HZ3 TRP 10 HZ3 TRP 10 -11.852 -8.162 -4.468 80 HH2 TRP 10 HH2 TRP 10 -12.379 -7.591 -6.822 81 H PHE 11 HN PHE 11 -9.233 -1.559 -0.794 82 HA PHE 11 HA PHE 11 -8.430 0.889 -2.166 83 HB2 PHE 11 HB2 PHE 11 -10.153 0.015 -0.033 84 HB3 PHE 11 HB3 PHE 11 -9.141 1.328 0.568 85 HD1 PHE 11 HD1 PHE 11 -11.690 0.366 -1.922 86 HD2 PHE 11 HD2 PHE 11 -9.281 3.568 -0.373 87 HE1 PHE 11 HE1 PHE 11 -13.089 2.011 -3.144 88 HE2 PHE 11 HE2 PHE 11 -10.678 5.210 -1.596 89 HZ PHE 11 HZ PHE 11 -12.580 4.432 -2.981 90 H TRP 12 HN TRP 12 -7.088 -1.137 0.375 91 HA TRP 12 HA TRP 12 -5.185 0.844 1.368 92 HB2 TRP 12 HB2 TRP 12 -6.160 -0.941 2.749 93 HB3 TRP 12 HB3 TRP 12 -5.467 -2.161 1.686 94 HD1 TRP 12 HD1 TRP 12 -2.945 -2.738 1.945 95 HE1 TRP 12 HE1 TRP 12 -1.155 -2.107 3.683 96 HE3 TRP 12 HE3 TRP 12 -5.368 1.046 4.371 97 HZ2 TRP 12 HZ2 TRP 12 -0.794 -0.244 5.828 98 HZ3 TRP 12 HZ3 TRP 12 -4.280 2.229 6.257 99 HH2 TRP 12 HH2 TRP 12 -1.999 1.590 6.988 100 H PHE 13 HN PHE 13 -5.267 -1.032 -1.453 101 HA PHE 13 HA PHE 13 -2.649 -2.006 -1.802 102 HB2 PHE 13 HB2 PHE 13 -4.358 -2.496 -3.401 103 HB3 PHE 13 HB3 PHE 13 -4.685 -0.786 -3.674 104 HD1 PHE 13 HD2 PHE 13 -1.812 -3.206 -3.858 105 HD2 PHE 13 HD1 PHE 13 -3.776 0.207 -5.573 106 HE1 PHE 13 HE2 PHE 13 -0.154 -3.179 -5.702 107 HE2 PHE 13 HE1 PHE 13 -2.119 0.235 -7.417 108 HZ PHE 13 HZ PHE 13 -0.307 -1.457 -7.481 109 H SER 14 HN SER 14 -3.875 1.217 -2.683 110 HA SER 14 HA SER 14 -1.418 2.341 -3.561 111 HB2 SER 14 HB2 SER 14 -2.606 4.507 -3.019 112 HB3 SER 14 HB3 SER 14 -3.559 3.390 -3.991 113 HG SER 14 HG SER 14 -4.913 3.926 -2.388 114 H LEU 15 HN LEU 15 -2.815 2.055 -0.342 115 HA LEU 15 HA LEU 15 -0.848 3.670 1.040 116 HB2 LEU 15 HB2 LEU 15 -3.266 2.621 1.636 117 HB3 LEU 15 HB3 LEU 15 -2.248 1.388 2.376 118 HG LEU 15 HG LEU 15 -2.836 3.184 3.982 119 HD11 LEU 15 HD11 LEU 15 -0.535 1.945 3.873 120 HD12 LEU 15 HD12 LEU 15 -0.698 3.352 4.924 121 HD13 LEU 15 HD13 LEU 15 0.088 3.512 3.354 122 HD21 LEU 15 HD21 LEU 15 -2.422 5.425 3.601 123 HD22 LEU 15 HD22 LEU 15 -2.709 4.906 1.941 124 HD23 LEU 15 HD23 LEU 15 -1.059 5.102 2.531 125 H LEU 16 HN LEU 16 -1.213 0.146 0.505 126 HA LEU 16 HA LEU 16 1.190 -0.634 1.879 127 HB2 LEU 16 HB2 LEU 16 -0.967 -1.895 0.843 128 HB3 LEU 16 HB3 LEU 16 0.187 -2.192 -0.457 129 HG LEU 16 HG LEU 16 1.083 -2.664 2.362 130 HD11 LEU 16 HD11 LEU 16 -1.190 -3.735 2.110 131 HD12 LEU 16 HD12 LEU 16 0.119 -4.878 2.409 132 HD13 LEU 16 HD13 LEU 16 -0.529 -4.686 0.780 133 HD21 LEU 16 HD21 LEU 16 2.349 -4.474 1.221 134 HD22 LEU 16 HD22 LEU 16 2.661 -2.899 0.490 135 HD23 LEU 16 HD23 LEU 16 1.572 -4.039 -0.301 136 H LEU 17 HN LEU 17 0.504 0.303 -1.445 137 HA LEU 17 HA LEU 17 3.043 -0.338 -2.608 138 HB2 LEU 17 HB2 LEU 17 0.869 0.251 -3.767 139 HB3 LEU 17 HB3 LEU 17 1.150 1.929 -3.302 140 HG LEU 17 HG LEU 17 3.481 0.687 -4.583 141 HD11 LEU 17 HD11 LEU 17 2.517 0.689 -6.852 142 HD12 LEU 17 HD12 LEU 17 0.929 1.061 -6.183 143 HD13 LEU 17 HD13 LEU 17 1.694 -0.487 -5.827 144 HD21 LEU 17 HD21 LEU 17 1.842 3.136 -5.305 145 HD22 LEU 17 HD22 LEU 17 3.510 2.802 -5.769 146 HD23 LEU 17 HD23 LEU 17 3.114 3.130 -4.083 147 H LEU 18 HN LEU 18 1.823 2.481 -0.895 148 HA LEU 18 HA LEU 18 4.121 4.182 -1.276 149 HB2 LEU 18 HB2 LEU 18 1.680 4.699 -0.538 150 HB3 LEU 18 HB3 LEU 18 2.225 4.232 1.073 151 HG LEU 18 HG LEU 18 4.149 5.905 0.727 152 HD11 LEU 18 HD11 LEU 18 2.290 6.668 -1.540 153 HD12 LEU 18 HD12 LEU 18 4.003 6.263 -1.646 154 HD13 LEU 18 HD13 LEU 18 3.500 7.766 -0.875 155 HD21 LEU 18 HD21 LEU 18 2.726 7.800 1.416 156 HD22 LEU 18 HD22 LEU 18 2.215 6.314 2.218 157 HD23 LEU 18 HD23 LEU 18 1.296 6.938 0.848 158 H ALA 19 HN ALA 19 3.169 1.842 1.183 159 HA ALA 19 HA ALA 19 5.330 2.346 3.034 160 HB1 ALA 19 HB1 ALA 19 3.910 -0.289 2.621 161 HB2 ALA 19 HB2 ALA 19 3.059 1.102 3.295 162 HB3 ALA 19 HB3 ALA 19 4.460 0.433 4.134 163 H ALA 20 HN ALA 20 4.941 0.199 0.228 164 HA ALA 20 HA ALA 20 7.347 -1.345 0.592 165 HB1 ALA 20 HB1 ALA 20 5.670 -2.188 -0.856 166 HB2 ALA 20 HB2 ALA 20 6.942 -1.661 -1.957 167 HB3 ALA 20 HB3 ALA 20 5.517 -0.652 -1.710 168 H GLY 21 HN GLY 21 6.650 1.680 -1.185 169 HA2 GLY 21 HA2 GLY 21 9.234 1.949 -2.406 170 HA3 GLY 21 HA3 GLY 21 8.098 3.272 -2.128 171 H VAL 22 HN VAL 22 7.888 3.275 0.633 172 HA VAL 22 HA VAL 22 10.284 4.651 1.459 173 HB VAL 22 HB VAL 22 7.905 3.497 2.963 174 HG11 VAL 22 HG11 VAL 22 9.634 3.813 4.593 175 HG12 VAL 22 HG12 VAL 22 8.590 5.229 4.707 176 HG13 VAL 22 HG13 VAL 22 10.134 5.338 3.863 177 HG21 VAL 22 HG21 VAL 22 8.509 6.365 2.190 178 HG22 VAL 22 HG22 VAL 22 6.998 5.725 2.836 179 HG23 VAL 22 HG23 VAL 22 7.515 5.292 1.206 180 H GLY 23 HN GLY 23 9.024 1.367 2.102 181 HA2 GLY 23 HA2 GLY 23 11.077 0.568 3.936 182 HA3 GLY 23 HA3 GLY 23 10.072 -0.534 2.993 183 H ILE 24 HN ILE 24 10.764 0.127 0.391 184 HA ILE 24 HA ILE 24 13.269 -1.243 0.032 185 HB ILE 24 HB ILE 24 11.392 0.370 -1.710 186 HG12 ILE 24 HG12 ILE 24 12.229 -2.538 -1.862 187 HG13 ILE 24 HG13 ILE 24 10.876 -1.986 -0.877 188 HG21 ILE 24 HG21 ILE 24 12.781 -0.541 -3.654 189 HG22 ILE 24 HG22 ILE 24 14.052 -0.860 -2.473 190 HG23 ILE 24 HG23 ILE 24 13.504 0.793 -2.754 191 HD11 ILE 24 HD11 ILE 24 11.169 -1.882 -3.880 192 HD12 ILE 24 HD12 ILE 24 10.007 -0.859 -3.034 193 HD13 ILE 24 HD13 ILE 24 9.876 -2.615 -2.930 194 H TYR 25 HN TYR 25 12.428 2.228 0.170 195 HA TYR 25 HA TYR 25 14.941 3.244 -0.788 196 HB2 TYR 25 HB2 TYR 25 12.729 4.466 -0.413 197 HB3 TYR 25 HB3 TYR 25 13.142 4.498 1.303 198 HD1 TYR 25 HD2 TYR 25 14.106 5.683 -2.064 199 HD2 TYR 25 HD1 TYR 25 14.956 5.873 2.143 200 HE1 TYR 25 HE2 TYR 25 15.569 7.648 -2.447 201 HE2 TYR 25 HE1 TYR 25 16.420 7.838 1.759 202 HH TYR 25 HH TYR 25 17.802 8.642 -0.708 203 H LEU 26 HN LEU 26 13.922 1.932 2.312 204 HA LEU 26 HA LEU 26 16.262 2.896 3.796 205 HB2 LEU 26 HB2 LEU 26 13.780 1.368 4.233 206 HB3 LEU 26 HB3 LEU 26 15.141 0.764 5.177 207 HG LEU 26 HG LEU 26 15.517 3.342 5.677 208 HD11 LEU 26 HD11 LEU 26 12.532 3.182 5.158 209 HD12 LEU 26 HD12 LEU 26 13.685 4.051 4.146 210 HD13 LEU 26 HD13 LEU 26 13.405 4.570 5.808 211 HD21 LEU 26 HD21 LEU 26 15.107 1.760 7.441 212 HD22 LEU 26 HD22 LEU 26 13.431 1.540 6.938 213 HD23 LEU 26 HD23 LEU 26 13.943 3.066 7.659 214 H LEU 27 HN LEU 27 15.391 0.129 1.822 215 HA LEU 27 HA LEU 27 18.106 -1.053 2.300 216 HB2 LEU 27 HB2 LEU 27 15.932 -2.099 3.382 217 HB3 LEU 27 HB3 LEU 27 15.658 -2.715 1.751 218 HG LEU 27 HG LEU 27 18.222 -3.419 1.976 219 HD11 LEU 27 HD11 LEU 27 18.806 -4.061 4.241 220 HD12 LEU 27 HD12 LEU 27 17.232 -3.538 4.839 221 HD13 LEU 27 HD13 LEU 27 18.388 -2.348 4.243 222 HD21 LEU 27 HD21 LEU 27 17.443 -5.636 2.768 223 HD22 LEU 27 HD22 LEU 27 16.342 -4.958 1.569 224 HD23 LEU 27 HD23 LEU 27 15.920 -4.909 3.281 225 HA PRO 28 HA PRO 28 17.023 -0.814 -2.234 226 HB2 PRO 28 HB2 PRO 28 18.141 1.579 -2.963 227 HB3 PRO 28 HB3 PRO 28 16.472 1.414 -2.388 228 HG2 PRO 28 HG2 PRO 28 18.747 2.643 -1.068 229 HG3 PRO 28 HG3 PRO 28 17.033 2.729 -0.664 230 HD2 PRO 28 HD2 PRO 28 19.104 1.077 0.531 231 HD3 PRO 28 HD3 PRO 28 17.444 1.356 1.077 232 H ASN 29 HN ASN 29 19.989 -0.210 -0.460 233 HA ASN 29 HA ASN 29 21.799 -0.566 -2.731 234 HB2 ASN 29 HB2 ASN 29 21.947 -0.255 0.240 235 HB3 ASN 29 HB3 ASN 29 23.349 -0.948 -0.576 236 HD21 ASN 29 HD21 ASN 29 24.675 0.468 -1.825 237 HD22 ASN 29 HD22 ASN 29 24.356 2.125 -2.001 238 H ARG 30 HN ARG 30 20.523 -2.656 -0.135 239 HA ARG 30 HA ARG 30 21.343 -5.045 -1.705 240 HB2 ARG 30 HB2 ARG 30 22.857 -3.991 0.405 241 HB3 ARG 30 HB3 ARG 30 21.970 -5.331 1.131 242 HG2 ARG 30 HG2 ARG 30 23.488 -6.724 0.221 243 HG3 ARG 30 HG3 ARG 30 22.830 -6.303 -1.360 244 HD2 ARG 30 HD2 ARG 30 24.616 -4.208 -0.412 245 HD3 ARG 30 HD3 ARG 30 25.442 -5.779 -0.462 246 HE ARG 30 HE ARG 30 23.893 -4.710 -2.798 247 HH11 ARG 30 HH11 ARG 30 24.747 -7.529 -3.006 248 HH12 ARG 30 HH12 ARG 30 26.288 -7.413 -3.787 249 HH21 ARG 30 HH21 ARG 30 26.670 -4.026 -3.096 250 HH22 ARG 30 HH22 ARG 30 27.384 -5.418 -3.839 Start of MODEL 30 1 HA HIS 1 HA HIS 1 -17.227 15.367 -3.202 2 HB2 HIS 1 HB2 HIS 1 -19.895 13.941 -3.102 3 HB3 HIS 1 HB3 HIS 1 -18.538 13.424 -2.101 4 HD1 HIS 1 HD1 HIS 1 -17.762 15.029 -0.204 5 HD2 HIS 1 HD2 HIS 1 -21.048 16.435 -2.351 6 HE1 HIS 1 HE1 HIS 1 -18.700 16.977 1.115 7 H SER 2 HN SER 2 -15.534 14.183 -4.018 8 HA SER 2 HA SER 2 -16.125 11.611 -5.421 9 HB2 SER 2 HB2 SER 2 -15.605 13.904 -6.780 10 HB3 SER 2 HB3 SER 2 -13.961 13.324 -6.529 11 HG SER 2 HG SER 2 -16.102 12.150 -7.921 12 H VAL 3 HN VAL 3 -15.289 11.589 -2.833 13 HA VAL 3 HA VAL 3 -13.594 10.840 -1.373 14 HB VAL 3 HB VAL 3 -12.352 9.794 -3.932 15 HG11 VAL 3 HG11 VAL 3 -11.124 9.428 -1.805 16 HG12 VAL 3 HG12 VAL 3 -11.707 7.914 -2.494 17 HG13 VAL 3 HG13 VAL 3 -12.554 8.646 -1.131 18 HG21 VAL 3 HG21 VAL 3 -14.650 9.209 -4.173 19 HG22 VAL 3 HG22 VAL 3 -14.827 8.881 -2.449 20 HG23 VAL 3 HG23 VAL 3 -13.894 7.782 -3.464 21 H SER 4 HN SER 4 -13.155 13.460 -1.722 22 HA SER 4 HA SER 4 -10.530 14.035 -2.896 23 HB2 SER 4 HB2 SER 4 -12.626 15.535 -2.723 24 HB3 SER 4 HB3 SER 4 -12.143 15.791 -1.048 25 HG SER 4 HG SER 4 -11.320 17.220 -2.916 26 H HIS 5 HN HIS 5 -11.646 12.933 0.162 27 HA HIS 5 HA HIS 5 -9.157 13.851 1.537 28 HB2 HIS 5 HB2 HIS 5 -11.916 12.984 2.348 29 HB3 HIS 5 HB3 HIS 5 -10.601 12.836 3.514 30 HD1 HIS 5 HD1 HIS 5 -10.368 14.859 4.936 31 HD2 HIS 5 HD2 HIS 5 -11.768 15.834 1.133 32 HE1 HIS 5 HE1 HIS 5 -10.704 17.369 4.916 33 H ALA 6 HN ALA 6 -9.627 11.424 -0.412 34 HA ALA 6 HA ALA 6 -7.884 9.565 1.031 35 HB1 ALA 6 HB1 ALA 6 -10.209 9.157 1.923 36 HB2 ALA 6 HB2 ALA 6 -9.504 7.747 1.131 37 HB3 ALA 6 HB3 ALA 6 -10.707 8.722 0.288 38 H ARG 7 HN ARG 7 -7.119 10.703 -1.220 39 HA ARG 7 HA ARG 7 -8.009 9.729 -3.733 40 HB2 ARG 7 HB2 ARG 7 -5.761 11.174 -2.583 41 HB3 ARG 7 HB3 ARG 7 -5.236 10.136 -3.907 42 HG2 ARG 7 HG2 ARG 7 -6.022 11.671 -5.350 43 HG3 ARG 7 HG3 ARG 7 -7.649 11.314 -4.773 44 HD2 ARG 7 HD2 ARG 7 -7.440 13.018 -3.018 45 HD3 ARG 7 HD3 ARG 7 -5.770 13.350 -3.518 46 HE ARG 7 HE ARG 7 -8.127 14.335 -4.860 47 HH11 ARG 7 HH11 ARG 7 -5.428 15.597 -5.092 48 HH12 ARG 7 HH12 ARG 7 -5.000 15.257 -6.736 49 HH21 ARG 7 HH21 ARG 7 -7.403 12.773 -7.120 50 HH22 ARG 7 HH22 ARG 7 -6.123 13.652 -7.889 51 HA PRO 8 HA PRO 8 -4.733 6.253 -3.473 52 HB2 PRO 8 HB2 PRO 8 -3.562 5.719 -1.049 53 HB3 PRO 8 HB3 PRO 8 -2.885 6.855 -2.230 54 HG2 PRO 8 HG2 PRO 8 -4.462 7.407 0.232 55 HG3 PRO 8 HG3 PRO 8 -3.086 8.287 -0.450 56 HD2 PRO 8 HD2 PRO 8 -5.676 9.105 -0.698 57 HD3 PRO 8 HD3 PRO 8 -4.401 9.504 -1.870 58 H ARG 9 HN ARG 9 -5.245 5.596 -0.052 59 HA ARG 9 HA ARG 9 -6.345 3.689 0.876 60 HB2 ARG 9 HB2 ARG 9 -7.698 5.776 1.121 61 HB3 ARG 9 HB3 ARG 9 -8.571 5.360 -0.353 62 HG2 ARG 9 HG2 ARG 9 -9.776 3.708 0.672 63 HG3 ARG 9 HG3 ARG 9 -8.422 3.212 1.688 64 HD2 ARG 9 HD2 ARG 9 -8.806 5.464 2.936 65 HD3 ARG 9 HD3 ARG 9 -10.399 5.445 2.150 66 HE ARG 9 HE ARG 9 -9.394 3.355 4.027 67 HH11 ARG 9 HH21 ARG 9 -11.811 5.083 4.585 68 HH12 ARG 9 HH22 ARG 9 -13.109 4.012 4.179 69 HH21 ARG 9 HH11 ARG 9 -11.080 1.812 2.410 70 HH22 ARG 9 HH12 ARG 9 -12.693 2.150 2.939 71 H TRP 10 HN TRP 10 -9.098 3.754 -1.226 72 HA TRP 10 HA TRP 10 -9.966 2.019 -2.595 73 HB2 TRP 10 HB2 TRP 10 -7.310 2.872 -3.540 74 HB3 TRP 10 HB3 TRP 10 -7.722 1.239 -4.061 75 HD1 TRP 10 HD1 TRP 10 -8.644 4.869 -4.563 76 HE1 TRP 10 HE1 TRP 10 -10.389 5.054 -6.454 77 HE3 TRP 10 HE3 TRP 10 -9.754 -0.072 -5.233 78 HZ2 TRP 10 HZ2 TRP 10 -12.034 3.336 -8.041 79 HZ3 TRP 10 HZ3 TRP 10 -11.411 -0.768 -6.939 80 HH2 TRP 10 HH2 TRP 10 -12.552 0.928 -8.342 81 H PHE 11 HN PHE 11 -9.869 0.960 -0.295 82 HA PHE 11 HA PHE 11 -9.517 -0.995 0.985 83 HB2 PHE 11 HB2 PHE 11 -8.323 -1.968 -1.650 84 HB3 PHE 11 HB3 PHE 11 -8.767 -2.996 -0.291 85 HD1 PHE 11 HD2 PHE 11 -11.173 -3.175 0.409 86 HD2 PHE 11 HD1 PHE 11 -9.974 -1.148 -3.185 87 HE1 PHE 11 HE2 PHE 11 -13.502 -3.291 -0.435 88 HE2 PHE 11 HE1 PHE 11 -12.303 -1.262 -4.027 89 HZ PHE 11 HZ PHE 11 -14.067 -2.335 -2.652 90 H TRP 12 HN TRP 12 -7.627 1.255 0.723 91 HA TRP 12 HA TRP 12 -5.421 1.895 1.215 92 HB2 TRP 12 HB2 TRP 12 -6.231 -0.385 2.932 93 HB3 TRP 12 HB3 TRP 12 -4.527 0.050 2.965 94 HD1 TRP 12 HD1 TRP 12 -4.246 2.941 3.112 95 HE1 TRP 12 HE1 TRP 12 -5.378 4.453 4.867 96 HE3 TRP 12 HE3 TRP 12 -8.093 -0.099 4.540 97 HZ2 TRP 12 HZ2 TRP 12 -7.624 4.384 6.635 98 HZ3 TRP 12 HZ3 TRP 12 -9.715 0.652 6.259 99 HH2 TRP 12 HH2 TRP 12 -9.485 2.887 7.306 100 H PHE 13 HN PHE 13 -5.736 0.292 -1.193 101 HA PHE 13 HA PHE 13 -3.540 -1.638 -1.313 102 HB2 PHE 13 HB2 PHE 13 -5.626 -1.816 -2.647 103 HB3 PHE 13 HB3 PHE 13 -5.239 -0.287 -3.438 104 HD1 PHE 13 HD2 PHE 13 -4.227 -3.828 -3.046 105 HD2 PHE 13 HD1 PHE 13 -3.536 -0.144 -5.146 106 HE1 PHE 13 HE2 PHE 13 -2.828 -5.033 -4.704 107 HE2 PHE 13 HE1 PHE 13 -2.138 -1.349 -6.802 108 HZ PHE 13 HZ PHE 13 -1.783 -3.794 -6.581 109 H SER 14 HN SER 14 -4.180 1.552 -2.738 110 HA SER 14 HA SER 14 -1.596 1.978 -3.878 111 HB2 SER 14 HB2 SER 14 -3.523 4.026 -2.742 112 HB3 SER 14 HB3 SER 14 -2.333 4.297 -4.012 113 HG SER 14 HG SER 14 -4.145 3.895 -5.125 114 H LEU 15 HN LEU 15 -2.891 2.476 -0.664 115 HA LEU 15 HA LEU 15 -0.699 3.992 0.443 116 HB2 LEU 15 HB2 LEU 15 -3.204 3.380 1.202 117 HB3 LEU 15 HB3 LEU 15 -2.362 2.108 2.081 118 HG LEU 15 HG LEU 15 -2.668 4.180 3.437 119 HD11 LEU 15 HD11 LEU 15 0.271 3.926 2.869 120 HD12 LEU 15 HD12 LEU 15 -0.614 2.546 3.519 121 HD13 LEU 15 HD13 LEU 15 -0.557 4.062 4.420 122 HD21 LEU 15 HD21 LEU 15 -2.308 5.623 1.271 123 HD22 LEU 15 HD22 LEU 15 -0.602 5.507 1.699 124 HD23 LEU 15 HD23 LEU 15 -1.745 6.241 2.823 125 H LEU 16 HN LEU 16 -1.459 0.502 0.286 126 HA LEU 16 HA LEU 16 0.778 -0.419 1.834 127 HB2 LEU 16 HB2 LEU 16 -1.405 -1.595 1.053 128 HB3 LEU 16 HB3 LEU 16 -0.534 -1.899 -0.449 129 HG LEU 16 HG LEU 16 0.949 -2.564 2.031 130 HD11 LEU 16 HD11 LEU 16 -0.264 -4.736 2.258 131 HD12 LEU 16 HD12 LEU 16 -1.476 -4.145 1.121 132 HD13 LEU 16 HD13 LEU 16 -1.267 -3.348 2.682 133 HD21 LEU 16 HD21 LEU 16 1.022 -4.735 0.385 134 HD22 LEU 16 HD22 LEU 16 2.115 -3.360 0.233 135 HD23 LEU 16 HD23 LEU 16 0.678 -3.460 -0.784 136 H LEU 17 HN LEU 17 0.335 0.182 -1.617 137 HA LEU 17 HA LEU 17 2.849 -0.824 -2.542 138 HB2 LEU 17 HB2 LEU 17 0.659 0.003 -3.751 139 HB3 LEU 17 HB3 LEU 17 1.469 1.569 -3.730 140 HG LEU 17 HG LEU 17 3.169 -0.676 -4.620 141 HD11 LEU 17 HD11 LEU 17 2.146 -0.971 -6.763 142 HD12 LEU 17 HD12 LEU 17 0.993 0.329 -6.469 143 HD13 LEU 17 HD13 LEU 17 0.859 -1.188 -5.577 144 HD21 LEU 17 HD21 LEU 17 4.074 0.972 -6.024 145 HD22 LEU 17 HD22 LEU 17 3.538 1.920 -4.637 146 HD23 LEU 17 HD23 LEU 17 2.559 1.873 -6.104 147 H LEU 18 HN LEU 18 1.856 2.263 -1.202 148 HA LEU 18 HA LEU 18 4.312 3.704 -1.683 149 HB2 LEU 18 HB2 LEU 18 1.956 4.577 -1.145 150 HB3 LEU 18 HB3 LEU 18 2.294 4.145 0.530 151 HG LEU 18 HG LEU 18 4.482 5.664 -0.678 152 HD11 LEU 18 HD11 LEU 18 1.826 7.085 -0.335 153 HD12 LEU 18 HD12 LEU 18 2.494 6.628 -1.902 154 HD13 LEU 18 HD13 LEU 18 3.347 7.788 -0.884 155 HD21 LEU 18 HD21 LEU 18 2.704 6.319 1.688 156 HD22 LEU 18 HD22 LEU 18 4.363 6.849 1.412 157 HD23 LEU 18 HD23 LEU 18 4.027 5.156 1.775 158 H ALA 19 HN ALA 19 3.055 1.783 1.003 159 HA ALA 19 HA ALA 19 5.170 2.277 2.884 160 HB1 ALA 19 HB1 ALA 19 3.609 -0.297 2.619 161 HB2 ALA 19 HB2 ALA 19 2.818 1.193 3.132 162 HB3 ALA 19 HB3 ALA 19 4.134 0.518 4.093 163 H ALA 20 HN ALA 20 4.748 -0.141 0.302 164 HA ALA 20 HA ALA 20 7.043 -1.762 0.887 165 HB1 ALA 20 HB1 ALA 20 6.610 -2.667 -1.285 166 HB2 ALA 20 HB2 ALA 20 5.894 -1.157 -1.849 167 HB3 ALA 20 HB3 ALA 20 5.034 -2.157 -0.677 168 H GLY 21 HN GLY 21 6.619 1.154 -1.132 169 HA2 GLY 21 HA2 GLY 21 9.278 1.205 -2.210 170 HA3 GLY 21 HA3 GLY 21 8.200 2.597 -2.099 171 H VAL 22 HN VAL 22 7.858 2.510 0.774 172 HA VAL 22 HA VAL 22 10.105 4.077 1.636 173 HB VAL 22 HB VAL 22 7.945 2.590 3.178 174 HG11 VAL 22 HG11 VAL 22 8.397 4.345 4.923 175 HG12 VAL 22 HG12 VAL 22 9.816 4.831 3.997 176 HG13 VAL 22 HG13 VAL 22 9.731 3.214 4.695 177 HG21 VAL 22 HG21 VAL 22 6.525 4.252 2.589 178 HG22 VAL 22 HG22 VAL 22 7.706 4.688 1.356 179 HG23 VAL 22 HG23 VAL 22 7.729 5.496 2.922 180 H GLY 23 HN GLY 23 9.222 0.653 2.179 181 HA2 GLY 23 HA2 GLY 23 11.396 0.025 3.942 182 HA3 GLY 23 HA3 GLY 23 10.493 -1.150 2.985 183 H ILE 24 HN ILE 24 11.058 -0.139 0.393 184 HA ILE 24 HA ILE 24 13.648 -1.311 -0.118 185 HB ILE 24 HB ILE 24 11.749 0.421 -1.744 186 HG12 ILE 24 HG12 ILE 24 10.878 -1.790 -1.058 187 HG13 ILE 24 HG13 ILE 24 11.150 -1.730 -2.799 188 HG21 ILE 24 HG21 ILE 24 13.890 0.679 -2.786 189 HG22 ILE 24 HG22 ILE 24 13.034 -0.549 -3.720 190 HG23 ILE 24 HG23 ILE 24 14.277 -1.028 -2.564 191 HD11 ILE 24 HD11 ILE 24 13.468 -2.739 -2.298 192 HD12 ILE 24 HD12 ILE 24 12.076 -3.808 -2.119 193 HD13 ILE 24 HD13 ILE 24 12.831 -3.097 -0.693 194 H TYR 25 HN TYR 25 12.528 2.055 0.293 195 HA TYR 25 HA TYR 25 14.938 3.357 -0.577 196 HB2 TYR 25 HB2 TYR 25 12.557 4.265 -0.027 197 HB3 TYR 25 HB3 TYR 25 13.142 4.348 1.637 198 HD1 TYR 25 HD2 TYR 25 14.999 5.840 2.253 199 HD2 TYR 25 HD1 TYR 25 13.470 5.712 -1.760 200 HE1 TYR 25 HE2 TYR 25 16.177 7.960 1.736 201 HE2 TYR 25 HE1 TYR 25 14.649 7.831 -2.277 202 HH TYR 25 HH TYR 25 15.552 9.939 -0.387 203 H LEU 26 HN LEU 26 14.062 1.695 2.390 204 HA LEU 26 HA LEU 26 16.300 2.754 3.966 205 HB2 LEU 26 HB2 LEU 26 13.981 0.948 4.257 206 HB3 LEU 26 HB3 LEU 26 15.393 0.443 5.183 207 HG LEU 26 HG LEU 26 15.474 3.004 5.855 208 HD11 LEU 26 HD11 LEU 26 12.533 2.557 5.255 209 HD12 LEU 26 HD12 LEU 26 13.602 3.616 4.337 210 HD13 LEU 26 HD13 LEU 26 13.234 3.982 6.021 211 HD21 LEU 26 HD21 LEU 26 13.559 0.927 6.959 212 HD22 LEU 26 HD22 LEU 26 13.934 2.437 7.788 213 HD23 LEU 26 HD23 LEU 26 15.207 1.253 7.496 214 H LEU 27 HN LEU 27 15.696 0.097 1.758 215 HA LEU 27 HA LEU 27 18.498 -0.881 2.189 216 HB2 LEU 27 HB2 LEU 27 16.490 -2.227 3.152 217 HB3 LEU 27 HB3 LEU 27 16.141 -2.630 1.472 218 HG LEU 27 HG LEU 27 18.393 -3.583 1.213 219 HD11 LEU 27 HD11 LEU 27 18.722 -2.419 3.950 220 HD12 LEU 27 HD12 LEU 27 19.868 -2.476 2.610 221 HD13 LEU 27 HD13 LEU 27 19.574 -3.919 3.580 222 HD21 LEU 27 HD21 LEU 27 18.140 -5.484 2.851 223 HD22 LEU 27 HD22 LEU 27 16.666 -5.111 1.956 224 HD23 LEU 27 HD23 LEU 27 16.844 -4.571 3.625 225 HA PRO 28 HA PRO 28 17.456 -0.347 -2.342 226 HB2 PRO 28 HB2 PRO 28 18.293 2.210 -2.857 227 HB3 PRO 28 HB3 PRO 28 16.644 1.808 -2.346 228 HG2 PRO 28 HG2 PRO 28 18.744 3.174 -0.866 229 HG3 PRO 28 HG3 PRO 28 17.017 3.064 -0.527 230 HD2 PRO 28 HD2 PRO 28 19.188 1.565 0.665 231 HD3 PRO 28 HD3 PRO 28 17.477 1.595 1.114 232 H ASN 29 HN ASN 29 20.263 0.495 -0.421 233 HA ASN 29 HA ASN 29 22.161 0.421 -2.664 234 HB2 ASN 29 HB2 ASN 29 22.268 1.757 -0.454 235 HB3 ASN 29 HB3 ASN 29 22.750 0.235 0.296 236 HD21 ASN 29 HD21 ASN 29 23.655 2.256 -2.568 237 HD22 ASN 29 HD22 ASN 29 25.318 1.944 -2.437 238 H ARG 30 HN ARG 30 21.104 -1.749 -0.046 239 HA ARG 30 HA ARG 30 21.419 -4.057 0.283 240 HB2 ARG 30 HB2 ARG 30 21.028 -3.512 -2.467 241 HB3 ARG 30 HB3 ARG 30 22.327 -4.703 -2.392 242 HG2 ARG 30 HG2 ARG 30 20.441 -6.077 -2.377 243 HG3 ARG 30 HG3 ARG 30 20.756 -5.894 -0.651 244 HD2 ARG 30 HD2 ARG 30 19.171 -3.772 -0.917 245 HD3 ARG 30 HD3 ARG 30 18.565 -4.691 -2.309 246 HE ARG 30 HE ARG 30 18.608 -5.720 0.502 247 HH11 ARG 30 HH11 ARG 30 18.660 -7.823 -1.645 248 HH12 ARG 30 HH12 ARG 30 16.973 -8.145 -1.875 249 HH21 ARG 30 HH21 ARG 30 15.933 -5.241 -0.272 250 HH22 ARG 30 HH22 ARG 30 15.423 -6.678 -1.096 Start of MODEL 31 1 HA HIS 1 HA HIS 1 -11.730 -1.161 16.770 2 HB2 HIS 1 HB2 HIS 1 -11.047 0.701 15.264 3 HB3 HIS 1 HB3 HIS 1 -9.415 0.619 15.926 4 HD1 HIS 1 HD1 HIS 1 -8.178 -0.253 13.885 5 HD2 HIS 1 HD2 HIS 1 -11.491 -2.591 14.860 6 HE1 HIS 1 HE1 HIS 1 -8.048 -2.326 12.434 7 H SER 2 HN SER 2 -10.751 -3.104 17.263 8 HA SER 2 HA SER 2 -8.177 -3.020 18.812 9 HB2 SER 2 HB2 SER 2 -10.649 -3.821 19.662 10 HB3 SER 2 HB3 SER 2 -9.996 -5.346 19.071 11 HG SER 2 HG SER 2 -8.504 -5.308 20.596 12 H VAL 3 HN VAL 3 -8.285 -3.183 15.923 13 HA VAL 3 HA VAL 3 -7.459 -4.474 14.131 14 HB VAL 3 HB VAL 3 -6.131 -6.019 16.382 15 HG11 VAL 3 HG11 VAL 3 -5.747 -6.914 14.131 16 HG12 VAL 3 HG12 VAL 3 -4.271 -6.158 14.732 17 HG13 VAL 3 HG13 VAL 3 -5.280 -5.314 13.555 18 HG21 VAL 3 HG21 VAL 3 -5.709 -3.762 16.969 19 HG22 VAL 3 HG22 VAL 3 -5.587 -3.256 15.285 20 HG23 VAL 3 HG23 VAL 3 -4.300 -4.217 16.012 21 H SER 4 HN SER 4 -10.022 -5.251 14.659 22 HA SER 4 HA SER 4 -10.123 -8.173 15.098 23 HB2 SER 4 HB2 SER 4 -11.783 -6.550 16.051 24 HB3 SER 4 HB3 SER 4 -12.293 -6.172 14.408 25 HG SER 4 HG SER 4 -13.505 -7.857 15.608 26 H HIS 5 HN HIS 5 -10.680 -5.839 12.514 27 HA HIS 5 HA HIS 5 -11.125 -8.030 10.553 28 HB2 HIS 5 HB2 HIS 5 -12.614 -5.980 10.803 29 HB3 HIS 5 HB3 HIS 5 -11.266 -5.024 10.189 30 HD1 HIS 5 HD1 HIS 5 -12.749 -8.360 9.032 31 HD2 HIS 5 HD2 HIS 5 -11.785 -4.597 7.524 32 HE1 HIS 5 HE1 HIS 5 -13.256 -8.431 6.552 33 H ALA 6 HN ALA 6 -8.486 -6.471 11.809 34 HA ALA 6 HA ALA 6 -6.301 -6.014 11.044 35 HB1 ALA 6 HB1 ALA 6 -6.566 -8.471 10.771 36 HB2 ALA 6 HB2 ALA 6 -5.492 -7.795 9.546 37 HB3 ALA 6 HB3 ALA 6 -7.154 -8.213 9.128 38 H ARG 7 HN ARG 7 -8.034 -4.111 10.035 39 HA ARG 7 HA ARG 7 -8.089 -2.425 8.391 40 HB2 ARG 7 HB2 ARG 7 -5.559 -3.486 8.314 41 HB3 ARG 7 HB3 ARG 7 -6.088 -3.732 6.650 42 HG2 ARG 7 HG2 ARG 7 -5.114 -1.564 6.665 43 HG3 ARG 7 HG3 ARG 7 -6.854 -1.278 6.703 44 HD2 ARG 7 HD2 ARG 7 -6.826 -0.771 9.040 45 HD3 ARG 7 HD3 ARG 7 -5.188 -1.422 9.234 46 HE ARG 7 HE ARG 7 -4.310 0.522 8.111 47 HH11 ARG 7 HH21 ARG 7 -6.528 0.831 6.090 48 HH12 ARG 7 HH22 ARG 7 -7.268 2.312 6.598 49 HH21 ARG 7 HH11 ARG 7 -5.796 2.262 9.749 50 HH22 ARG 7 HH12 ARG 7 -6.852 3.125 8.682 51 HA PRO 8 HA PRO 8 -10.847 -4.636 5.667 52 HB2 PRO 8 HB2 PRO 8 -12.210 -2.435 4.772 53 HB3 PRO 8 HB3 PRO 8 -12.491 -3.169 6.359 54 HG2 PRO 8 HG2 PRO 8 -10.947 -0.732 5.657 55 HG3 PRO 8 HG3 PRO 8 -11.960 -1.063 7.069 56 HD2 PRO 8 HD2 PRO 8 -9.212 -1.166 7.065 57 HD3 PRO 8 HD3 PRO 8 -10.252 -2.026 8.221 58 H ARG 9 HN ARG 9 -11.001 -1.820 3.684 59 HA ARG 9 HA ARG 9 -8.653 -2.212 2.049 60 HB2 ARG 9 HB2 ARG 9 -9.829 -3.334 0.150 61 HB3 ARG 9 HB3 ARG 9 -9.804 -4.343 1.593 62 HG2 ARG 9 HG2 ARG 9 -12.124 -3.073 2.048 63 HG3 ARG 9 HG3 ARG 9 -12.103 -2.953 0.289 64 HD2 ARG 9 HD2 ARG 9 -13.228 -5.018 0.776 65 HD3 ARG 9 HD3 ARG 9 -11.585 -5.487 0.295 66 HE ARG 9 HE ARG 9 -11.022 -5.654 2.717 67 HH11 ARG 9 HH11 ARG 9 -13.210 -4.107 3.943 68 HH12 ARG 9 HH12 ARG 9 -14.304 -5.335 4.483 69 HH21 ARG 9 HH21 ARG 9 -12.918 -7.816 2.482 70 HH22 ARG 9 HH22 ARG 9 -14.140 -7.441 3.650 71 H TRP 10 HN TRP 10 -9.685 -1.432 -0.438 72 HA TRP 10 HA TRP 10 -10.509 0.411 -1.650 73 HB2 TRP 10 HB2 TRP 10 -12.341 -0.086 0.537 74 HB3 TRP 10 HB3 TRP 10 -12.251 1.645 0.217 75 HD1 TRP 10 HD1 TRP 10 -14.252 2.197 -1.258 76 HE1 TRP 10 HE1 TRP 10 -15.259 1.239 -3.431 77 HE3 TRP 10 HE3 TRP 10 -11.293 -1.922 -1.864 78 HZ2 TRP 10 HZ2 TRP 10 -14.860 -0.979 -5.192 79 HZ3 TRP 10 HZ3 TRP 10 -11.628 -3.439 -3.794 80 HH2 TRP 10 HH2 TRP 10 -13.406 -2.972 -5.458 81 H PHE 11 HN PHE 11 -9.318 2.223 -1.978 82 HA PHE 11 HA PHE 11 -8.008 4.137 -1.565 83 HB2 PHE 11 HB2 PHE 11 -10.228 4.089 0.357 84 HB3 PHE 11 HB3 PHE 11 -8.849 5.027 0.929 85 HD1 PHE 11 HD1 PHE 11 -7.836 6.773 -0.674 86 HD2 PHE 11 HD2 PHE 11 -11.694 4.977 -1.263 87 HE1 PHE 11 HE1 PHE 11 -8.469 8.629 -2.191 88 HE2 PHE 11 HE2 PHE 11 -12.326 6.834 -2.780 89 HZ PHE 11 HZ PHE 11 -10.714 8.660 -3.244 90 H TRP 12 HN TRP 12 -7.374 1.339 -0.230 91 HA TRP 12 HA TRP 12 -5.297 2.383 1.657 92 HB2 TRP 12 HB2 TRP 12 -7.003 1.214 2.887 93 HB3 TRP 12 HB3 TRP 12 -7.036 -0.096 1.709 94 HD1 TRP 12 HD1 TRP 12 -5.483 -2.083 2.118 95 HE1 TRP 12 HE1 TRP 12 -3.596 -2.614 3.796 96 HE3 TRP 12 HE3 TRP 12 -4.975 2.483 4.349 97 HZ2 TRP 12 HZ2 TRP 12 -2.082 -1.278 5.823 98 HZ3 TRP 12 HZ3 TRP 12 -3.309 2.824 6.150 99 HH2 TRP 12 HH2 TRP 12 -1.862 0.950 6.889 100 H PHE 13 HN PHE 13 -5.977 0.380 -1.102 101 HA PHE 13 HA PHE 13 -3.673 -1.299 -1.111 102 HB2 PHE 13 HB2 PHE 13 -5.587 -1.658 -2.573 103 HB3 PHE 13 HB3 PHE 13 -5.342 -0.084 -3.331 104 HD1 PHE 13 HD2 PHE 13 -3.616 -3.349 -2.714 105 HD2 PHE 13 HD1 PHE 13 -3.977 0.111 -5.234 106 HE1 PHE 13 HE2 PHE 13 -2.053 -4.374 -4.344 107 HE2 PHE 13 HE1 PHE 13 -2.413 -0.914 -6.865 108 HZ PHE 13 HZ PHE 13 -1.451 -3.155 -6.420 109 H SER 14 HN SER 14 -4.196 1.971 -2.354 110 HA SER 14 HA SER 14 -1.663 2.350 -3.620 111 HB2 SER 14 HB2 SER 14 -3.503 4.315 -2.222 112 HB3 SER 14 HB3 SER 14 -2.234 4.755 -3.361 113 HG SER 14 HG SER 14 -4.064 4.607 -4.559 114 H LEU 15 HN LEU 15 -2.744 2.734 -0.294 115 HA LEU 15 HA LEU 15 -0.353 3.961 0.759 116 HB2 LEU 15 HB2 LEU 15 -2.761 3.728 1.714 117 HB3 LEU 15 HB3 LEU 15 -2.250 2.125 2.241 118 HG LEU 15 HG LEU 15 -0.471 4.440 2.889 119 HD11 LEU 15 HD11 LEU 15 -2.300 5.512 3.777 120 HD12 LEU 15 HD12 LEU 15 -1.993 4.400 5.110 121 HD13 LEU 15 HD13 LEU 15 -3.236 4.024 3.917 122 HD21 LEU 15 HD21 LEU 15 0.431 2.456 3.691 123 HD22 LEU 15 HD22 LEU 15 -1.150 1.724 3.958 124 HD23 LEU 15 HD23 LEU 15 -0.538 2.934 5.086 125 H LEU 16 HN LEU 16 -1.477 0.578 0.500 126 HA LEU 16 HA LEU 16 0.744 -0.667 1.806 127 HB2 LEU 16 HB2 LEU 16 -1.547 -1.609 1.182 128 HB3 LEU 16 HB3 LEU 16 -0.946 -1.749 -0.466 129 HG LEU 16 HG LEU 16 -0.791 -3.834 1.067 130 HD11 LEU 16 HD11 LEU 16 1.927 -3.326 0.034 131 HD12 LEU 16 HD12 LEU 16 0.631 -3.014 -1.121 132 HD13 LEU 16 HD13 LEU 16 0.785 -4.604 -0.376 133 HD21 LEU 16 HD21 LEU 16 0.231 -2.430 2.957 134 HD22 LEU 16 HD22 LEU 16 1.722 -2.435 2.012 135 HD23 LEU 16 HD23 LEU 16 1.040 -3.955 2.592 136 H LEU 17 HN LEU 17 0.163 0.196 -1.568 137 HA LEU 17 HA LEU 17 2.500 -0.970 -2.726 138 HB2 LEU 17 HB2 LEU 17 0.422 0.015 -3.841 139 HB3 LEU 17 HB3 LEU 17 1.125 1.604 -3.543 140 HG LEU 17 HG LEU 17 2.993 -0.305 -4.786 141 HD11 LEU 17 HD11 LEU 17 0.661 0.729 -6.422 142 HD12 LEU 17 HD12 LEU 17 0.776 -0.929 -5.831 143 HD13 LEU 17 HD13 LEU 17 1.972 -0.314 -6.972 144 HD21 LEU 17 HD21 LEU 17 3.470 1.664 -6.177 145 HD22 LEU 17 HD22 LEU 17 3.412 2.127 -4.477 146 HD23 LEU 17 HD23 LEU 17 2.045 2.482 -5.534 147 H LEU 18 HN LEU 18 1.918 2.114 -1.145 148 HA LEU 18 HA LEU 18 4.526 3.261 -1.673 149 HB2 LEU 18 HB2 LEU 18 2.211 4.315 -1.003 150 HB3 LEU 18 HB3 LEU 18 2.750 3.982 0.643 151 HG LEU 18 HG LEU 18 4.973 5.150 -0.164 152 HD11 LEU 18 HD11 LEU 18 2.874 6.170 -2.098 153 HD12 LEU 18 HD12 LEU 18 4.413 5.409 -2.497 154 HD13 LEU 18 HD13 LEU 18 4.387 7.015 -1.770 155 HD21 LEU 18 HD21 LEU 18 3.769 6.131 1.618 156 HD22 LEU 18 HD22 LEU 18 2.360 6.451 0.606 157 HD23 LEU 18 HD23 LEU 18 3.826 7.408 0.402 158 H ALA 19 HN ALA 19 3.114 1.332 0.911 159 HA ALA 19 HA ALA 19 5.162 1.600 2.885 160 HB1 ALA 19 HB1 ALA 19 4.094 -0.297 3.867 161 HB2 ALA 19 HB2 ALA 19 3.560 -0.901 2.298 162 HB3 ALA 19 HB3 ALA 19 2.814 0.541 2.990 163 H ALA 20 HN ALA 20 4.800 -0.709 0.176 164 HA ALA 20 HA ALA 20 7.138 -2.283 0.728 165 HB1 ALA 20 HB1 ALA 20 6.837 -2.941 -1.662 166 HB2 ALA 20 HB2 ALA 20 5.687 -1.617 -1.859 167 HB3 ALA 20 HB3 ALA 20 5.312 -2.958 -0.776 168 H GLY 21 HN GLY 21 6.633 0.665 -1.226 169 HA2 GLY 21 HA2 GLY 21 9.304 0.797 -2.290 170 HA3 GLY 21 HA3 GLY 21 8.173 2.148 -2.199 171 H VAL 22 HN VAL 22 7.787 2.141 0.642 172 HA VAL 22 HA VAL 22 9.961 3.773 1.527 173 HB VAL 22 HB VAL 22 7.793 2.221 2.986 174 HG11 VAL 22 HG11 VAL 22 9.561 2.712 4.583 175 HG12 VAL 22 HG12 VAL 22 8.230 3.835 4.859 176 HG13 VAL 22 HG13 VAL 22 9.674 4.374 4.003 177 HG21 VAL 22 HG21 VAL 22 6.433 3.993 2.551 178 HG22 VAL 22 HG22 VAL 22 7.588 4.367 1.273 179 HG23 VAL 22 HG23 VAL 22 7.717 5.166 2.839 180 H GLY 23 HN GLY 23 9.224 0.321 2.156 181 HA2 GLY 23 HA2 GLY 23 11.422 -0.183 3.916 182 HA3 GLY 23 HA3 GLY 23 10.586 -1.411 2.966 183 H ILE 24 HN ILE 24 11.117 -0.492 0.368 184 HA ILE 24 HA ILE 24 13.787 -1.494 -0.088 185 HB ILE 24 HB ILE 24 11.801 0.049 -1.805 186 HG12 ILE 24 HG12 ILE 24 12.491 -2.878 -2.020 187 HG13 ILE 24 HG13 ILE 24 11.318 -2.332 -0.823 188 HG21 ILE 24 HG21 ILE 24 14.023 0.304 -2.770 189 HG22 ILE 24 HG22 ILE 24 13.122 -0.871 -3.727 190 HG23 ILE 24 HG23 ILE 24 14.342 -1.420 -2.577 191 HD11 ILE 24 HD11 ILE 24 11.147 -2.244 -3.816 192 HD12 ILE 24 HD12 ILE 24 10.281 -1.031 -2.872 193 HD13 ILE 24 HD13 ILE 24 9.929 -2.745 -2.644 194 H TYR 25 HN TYR 25 12.417 1.810 0.094 195 HA TYR 25 HA TYR 25 14.741 3.227 -0.805 196 HB2 TYR 25 HB2 TYR 25 12.328 4.029 -0.399 197 HB3 TYR 25 HB3 TYR 25 12.785 4.171 1.300 198 HD1 TYR 25 HD1 TYR 25 13.398 5.440 -2.113 199 HD2 TYR 25 HD2 TYR 25 14.377 5.845 2.050 200 HE1 TYR 25 HE1 TYR 25 14.489 7.617 -2.581 201 HE2 TYR 25 HE2 TYR 25 15.466 8.023 1.582 202 HH TYR 25 HH TYR 25 16.589 9.007 -0.943 203 H LEU 26 HN LEU 26 13.954 1.700 2.260 204 HA LEU 26 HA LEU 26 16.105 3.033 3.761 205 HB2 LEU 26 HB2 LEU 26 14.198 0.726 4.251 206 HB3 LEU 26 HB3 LEU 26 15.403 1.220 5.439 207 HG LEU 26 HG LEU 26 13.615 3.320 4.270 208 HD11 LEU 26 HD11 LEU 26 12.769 1.636 6.632 209 HD12 LEU 26 HD12 LEU 26 12.221 1.286 4.993 210 HD13 LEU 26 HD13 LEU 26 11.818 2.828 5.746 211 HD21 LEU 26 HD21 LEU 26 13.898 4.261 6.540 212 HD22 LEU 26 HD22 LEU 26 15.461 3.918 5.799 213 HD23 LEU 26 HD23 LEU 26 14.805 2.827 7.020 214 H LEU 27 HN LEU 27 15.703 0.213 1.737 215 HA LEU 27 HA LEU 27 18.527 -0.610 2.315 216 HB2 LEU 27 HB2 LEU 27 16.307 -1.934 3.144 217 HB3 LEU 27 HB3 LEU 27 16.486 -2.643 1.541 218 HG LEU 27 HG LEU 27 17.705 -4.015 3.132 219 HD11 LEU 27 HD11 LEU 27 18.763 -3.606 0.907 220 HD12 LEU 27 HD12 LEU 27 19.941 -3.951 2.173 221 HD13 LEU 27 HD13 LEU 27 19.695 -2.293 1.627 222 HD21 LEU 27 HD21 LEU 27 19.091 -1.430 3.908 223 HD22 LEU 27 HD22 LEU 27 19.571 -3.031 4.468 224 HD23 LEU 27 HD23 LEU 27 17.997 -2.376 4.917 225 HA PRO 28 HA PRO 28 17.589 -0.425 -2.274 226 HB2 PRO 28 HB2 PRO 28 18.231 2.152 -2.942 227 HB3 PRO 28 HB3 PRO 28 16.605 1.654 -2.439 228 HG2 PRO 28 HG2 PRO 28 18.550 3.280 -1.013 229 HG3 PRO 28 HG3 PRO 28 16.829 3.051 -0.702 230 HD2 PRO 28 HD2 PRO 28 19.085 1.811 0.632 231 HD3 PRO 28 HD3 PRO 28 17.368 1.741 1.046 232 H ASN 29 HN ASN 29 20.212 1.507 -0.764 233 HA ASN 29 HA ASN 29 22.150 0.342 -2.726 234 HB2 ASN 29 HB2 ASN 29 21.698 2.934 -1.454 235 HB3 ASN 29 HB3 ASN 29 23.366 2.393 -1.256 236 HD21 ASN 29 HD21 ASN 29 20.869 3.074 -3.732 237 HD22 ASN 29 HD22 ASN 29 21.968 3.273 -5.010 238 H ARG 30 HN ARG 30 21.555 0.879 0.748 239 HA ARG 30 HA ARG 30 23.535 -1.276 1.351 240 HB2 ARG 30 HB2 ARG 30 24.339 1.202 1.567 241 HB3 ARG 30 HB3 ARG 30 23.319 1.238 3.006 242 HG2 ARG 30 HG2 ARG 30 25.289 0.517 3.970 243 HG3 ARG 30 HG3 ARG 30 24.603 -1.045 3.523 244 HD2 ARG 30 HD2 ARG 30 25.977 -0.060 1.225 245 HD3 ARG 30 HD3 ARG 30 27.065 0.125 2.614 246 HE ARG 30 HE ARG 30 25.890 -2.438 1.674 247 HH11 ARG 30 HH11 ARG 30 28.837 -2.052 1.988 248 HH12 ARG 30 HH12 ARG 30 29.151 -2.813 3.512 249 HH21 ARG 30 HH21 ARG 30 25.814 -2.815 4.489 250 HH22 ARG 30 HH22 ARG 30 27.431 -3.248 4.935 Start of MODEL 32 1 HA HIS 1 HA HIS 1 -6.344 -14.166 8.133 2 HB2 HIS 1 HB2 HIS 1 -7.519 -14.530 10.642 3 HB3 HIS 1 HB3 HIS 1 -7.064 -12.826 10.635 4 HD1 HIS 1 HD1 HIS 1 -9.503 -15.210 9.223 5 HD2 HIS 1 HD2 HIS 1 -8.217 -11.332 8.387 6 HE1 HIS 1 HE1 HIS 1 -11.225 -14.205 7.661 7 H SER 2 HN SER 2 -5.197 -12.454 7.325 8 HA SER 2 HA SER 2 -3.174 -11.128 9.100 9 HB2 SER 2 HB2 SER 2 -2.223 -10.550 6.746 10 HB3 SER 2 HB3 SER 2 -2.093 -12.214 7.303 11 HG SER 2 HG SER 2 -2.925 -12.111 5.184 12 H VAL 3 HN VAL 3 -5.976 -10.300 9.076 13 HA VAL 3 HA VAL 3 -7.295 -8.356 8.866 14 HB VAL 3 HB VAL 3 -4.580 -7.022 8.606 15 HG11 VAL 3 HG11 VAL 3 -7.279 -6.187 9.689 16 HG12 VAL 3 HG12 VAL 3 -6.343 -5.425 8.402 17 HG13 VAL 3 HG13 VAL 3 -5.797 -5.314 10.075 18 HG21 VAL 3 HG21 VAL 3 -4.699 -6.979 11.156 19 HG22 VAL 3 HG22 VAL 3 -4.356 -8.555 10.443 20 HG23 VAL 3 HG23 VAL 3 -5.978 -8.188 11.030 21 H SER 4 HN SER 4 -6.829 -9.764 6.372 22 HA SER 4 HA SER 4 -6.468 -7.559 4.392 23 HB2 SER 4 HB2 SER 4 -5.266 -9.904 4.448 24 HB3 SER 4 HB3 SER 4 -6.769 -10.469 3.724 25 HG SER 4 HG SER 4 -6.340 -9.364 1.946 26 H HIS 5 HN HIS 5 -8.902 -9.485 5.857 27 HA HIS 5 HA HIS 5 -10.845 -8.857 3.665 28 HB2 HIS 5 HB2 HIS 5 -10.536 -11.030 5.720 29 HB3 HIS 5 HB3 HIS 5 -12.137 -10.681 5.069 30 HD1 HIS 5 HD1 HIS 5 -12.685 -11.723 2.858 31 HD2 HIS 5 HD2 HIS 5 -8.574 -11.617 3.542 32 HE1 HIS 5 HE1 HIS 5 -11.606 -12.965 0.932 33 H ALA 6 HN ALA 6 -10.064 -6.851 5.626 34 HA ALA 6 HA ALA 6 -12.491 -6.671 7.376 35 HB1 ALA 6 HB1 ALA 6 -11.057 -5.003 8.594 36 HB2 ALA 6 HB2 ALA 6 -9.765 -5.331 7.439 37 HB3 ALA 6 HB3 ALA 6 -10.330 -6.609 8.514 38 H ARG 7 HN ARG 7 -12.767 -6.095 4.591 39 HA ARG 7 HA ARG 7 -13.655 -4.448 3.169 40 HB2 ARG 7 HB2 ARG 7 -14.584 -4.009 5.753 41 HB3 ARG 7 HB3 ARG 7 -13.978 -2.424 5.272 42 HG2 ARG 7 HG2 ARG 7 -15.860 -4.102 3.588 43 HG3 ARG 7 HG3 ARG 7 -16.386 -2.806 4.663 44 HD2 ARG 7 HD2 ARG 7 -15.234 -1.137 3.378 45 HD3 ARG 7 HD3 ARG 7 -14.350 -2.367 2.454 46 HE ARG 7 HE ARG 7 -16.856 -3.106 1.853 47 HH11 ARG 7 HH11 ARG 7 -17.909 -0.478 2.866 48 HH12 ARG 7 HH12 ARG 7 -17.933 0.480 1.424 49 HH21 ARG 7 HH21 ARG 7 -15.820 -1.650 -0.334 50 HH22 ARG 7 HH22 ARG 7 -16.748 -0.189 -0.398 51 HA PRO 8 HA PRO 8 -9.612 -2.242 3.113 52 HB2 PRO 8 HB2 PRO 8 -9.070 -2.775 0.483 53 HB3 PRO 8 HB3 PRO 8 -8.662 -3.894 1.799 54 HG2 PRO 8 HG2 PRO 8 -10.931 -3.974 -0.119 55 HG3 PRO 8 HG3 PRO 8 -9.972 -5.301 0.554 56 HD2 PRO 8 HD2 PRO 8 -12.481 -4.621 1.423 57 HD3 PRO 8 HD3 PRO 8 -11.272 -5.458 2.421 58 H ARG 9 HN ARG 9 -8.967 -0.698 0.967 59 HA ARG 9 HA ARG 9 -11.421 0.702 0.092 60 HB2 ARG 9 HB2 ARG 9 -10.376 1.628 2.252 61 HB3 ARG 9 HB3 ARG 9 -9.068 2.203 1.219 62 HG2 ARG 9 HG2 ARG 9 -10.543 3.607 -0.027 63 HG3 ARG 9 HG3 ARG 9 -11.971 2.829 0.656 64 HD2 ARG 9 HD2 ARG 9 -10.812 3.658 2.952 65 HD3 ARG 9 HD3 ARG 9 -10.205 4.910 1.852 66 HE ARG 9 HE ARG 9 -12.867 4.736 1.158 67 HH11 ARG 9 HH21 ARG 9 -13.246 3.763 4.020 68 HH12 ARG 9 HH22 ARG 9 -13.585 5.249 4.842 69 HH21 ARG 9 HH11 ARG 9 -12.406 7.252 2.257 70 HH22 ARG 9 HH12 ARG 9 -13.107 7.231 3.840 71 H TRP 10 HN TRP 10 -10.870 2.371 -1.655 72 HA TRP 10 HA TRP 10 -9.331 1.211 -3.770 73 HB2 TRP 10 HB2 TRP 10 -10.434 3.976 -3.205 74 HB3 TRP 10 HB3 TRP 10 -9.617 3.594 -4.717 75 HD1 TRP 10 HD1 TRP 10 -11.224 0.499 -3.903 76 HE1 TRP 10 HE1 TRP 10 -13.526 0.261 -5.034 77 HE3 TRP 10 HE3 TRP 10 -12.042 5.351 -5.273 78 HZ2 TRP 10 HZ2 TRP 10 -15.459 1.909 -6.350 79 HZ3 TRP 10 HZ3 TRP 10 -14.120 5.988 -6.463 80 HH2 TRP 10 HH2 TRP 10 -15.828 4.274 -7.003 81 H PHE 11 HN PHE 11 -8.604 4.204 -1.904 82 HA PHE 11 HA PHE 11 -5.857 4.348 -2.812 83 HB2 PHE 11 HB2 PHE 11 -7.475 6.146 -1.830 84 HB3 PHE 11 HB3 PHE 11 -6.937 5.548 -0.260 85 HD1 PHE 11 HD1 PHE 11 -5.783 7.045 -3.465 86 HD2 PHE 11 HD2 PHE 11 -4.764 6.063 0.592 87 HE1 PHE 11 HE1 PHE 11 -3.704 8.383 -3.661 88 HE2 PHE 11 HE2 PHE 11 -2.687 7.401 0.394 89 HZ PHE 11 HZ PHE 11 -2.156 8.561 -1.733 90 H TRP 12 HN TRP 12 -7.456 2.496 -0.357 91 HA TRP 12 HA TRP 12 -5.467 2.103 1.602 92 HB2 TRP 12 HB2 TRP 12 -7.945 1.017 0.749 93 HB3 TRP 12 HB3 TRP 12 -6.863 -0.344 0.944 94 HD1 TRP 12 HD1 TRP 12 -9.378 0.471 2.836 95 HE1 TRP 12 HE1 TRP 12 -8.968 0.713 5.354 96 HE3 TRP 12 HE3 TRP 12 -4.313 1.148 2.838 97 HZ2 TRP 12 HZ2 TRP 12 -6.776 1.128 7.154 98 HZ3 TRP 12 HZ3 TRP 12 -3.093 1.460 4.970 99 HH2 TRP 12 HH2 TRP 12 -4.315 1.451 7.127 100 H PHE 13 HN PHE 13 -5.948 0.403 -1.467 101 HA PHE 13 HA PHE 13 -3.726 -1.406 -1.208 102 HB2 PHE 13 HB2 PHE 13 -5.558 -0.402 -3.334 103 HB3 PHE 13 HB3 PHE 13 -4.055 -1.147 -3.880 104 HD1 PHE 13 HD1 PHE 13 -3.554 -3.498 -3.391 105 HD2 PHE 13 HD2 PHE 13 -7.252 -1.697 -2.151 106 HE1 PHE 13 HE1 PHE 13 -4.502 -5.747 -2.951 107 HE2 PHE 13 HE2 PHE 13 -8.200 -3.946 -1.711 108 HZ PHE 13 HZ PHE 13 -6.825 -5.971 -2.111 109 H SER 14 HN SER 14 -4.066 1.859 -2.474 110 HA SER 14 HA SER 14 -1.427 2.112 -3.602 111 HB2 SER 14 HB2 SER 14 -3.258 4.234 -2.442 112 HB3 SER 14 HB3 SER 14 -1.976 4.496 -3.620 113 HG SER 14 HG SER 14 -3.254 3.793 -5.145 114 H LEU 15 HN LEU 15 -2.789 2.598 -0.391 115 HA LEU 15 HA LEU 15 -0.512 3.888 0.825 116 HB2 LEU 15 HB2 LEU 15 -2.998 3.550 1.585 117 HB3 LEU 15 HB3 LEU 15 -2.420 2.012 2.226 118 HG LEU 15 HG LEU 15 -0.847 4.472 2.874 119 HD11 LEU 15 HD11 LEU 15 -2.309 5.135 4.640 120 HD12 LEU 15 HD12 LEU 15 -3.319 3.703 4.440 121 HD13 LEU 15 HD13 LEU 15 -3.334 4.971 3.215 122 HD21 LEU 15 HD21 LEU 15 -1.330 1.738 3.934 123 HD22 LEU 15 HD22 LEU 15 -1.096 2.999 5.144 124 HD23 LEU 15 HD23 LEU 15 0.149 2.699 3.932 125 H LEU 16 HN LEU 16 -1.506 0.480 0.484 126 HA LEU 16 HA LEU 16 0.676 -0.671 1.967 127 HB2 LEU 16 HB2 LEU 16 -1.641 -1.595 1.122 128 HB3 LEU 16 HB3 LEU 16 -0.737 -2.004 -0.335 129 HG LEU 16 HG LEU 16 0.443 -2.780 2.302 130 HD11 LEU 16 HD11 LEU 16 -0.895 -4.790 2.438 131 HD12 LEU 16 HD12 LEU 16 -1.734 -4.391 0.939 132 HD13 LEU 16 HD13 LEU 16 -1.997 -3.414 2.383 133 HD21 LEU 16 HD21 LEU 16 0.496 -3.657 -0.558 134 HD22 LEU 16 HD22 LEU 16 0.785 -4.880 0.678 135 HD23 LEU 16 HD23 LEU 16 1.830 -3.462 0.579 136 H LEU 17 HN LEU 17 0.200 0.096 -1.445 137 HA LEU 17 HA LEU 17 2.616 -1.061 -2.462 138 HB2 LEU 17 HB2 LEU 17 0.381 0.210 -3.456 139 HB3 LEU 17 HB3 LEU 17 1.637 1.415 -3.735 140 HG LEU 17 HG LEU 17 3.009 -0.610 -4.673 141 HD11 LEU 17 HD11 LEU 17 1.793 -2.476 -5.431 142 HD12 LEU 17 HD12 LEU 17 0.246 -1.639 -5.298 143 HD13 LEU 17 HD13 LEU 17 1.089 -2.170 -3.842 144 HD21 LEU 17 HD21 LEU 17 0.698 0.799 -6.012 145 HD22 LEU 17 HD22 LEU 17 1.729 -0.315 -6.909 146 HD23 LEU 17 HD23 LEU 17 2.425 1.126 -6.170 147 H LEU 18 HN LEU 18 1.872 2.026 -0.976 148 HA LEU 18 HA LEU 18 4.423 3.296 -1.510 149 HB2 LEU 18 HB2 LEU 18 2.069 4.257 -0.867 150 HB3 LEU 18 HB3 LEU 18 2.588 3.941 0.789 151 HG LEU 18 HG LEU 18 4.774 5.205 0.037 152 HD11 LEU 18 HD11 LEU 18 2.682 6.163 -1.939 153 HD12 LEU 18 HD12 LEU 18 4.238 5.421 -2.317 154 HD13 LEU 18 HD13 LEU 18 4.180 7.029 -1.595 155 HD21 LEU 18 HD21 LEU 18 3.273 6.012 1.787 156 HD22 LEU 18 HD22 LEU 18 2.122 6.578 0.577 157 HD23 LEU 18 HD23 LEU 18 3.698 7.356 0.727 158 H ALA 19 HN ALA 19 3.071 1.394 1.138 159 HA ALA 19 HA ALA 19 5.148 1.741 3.070 160 HB1 ALA 19 HB1 ALA 19 4.151 -0.210 4.086 161 HB2 ALA 19 HB2 ALA 19 3.506 -0.755 2.538 162 HB3 ALA 19 HB3 ALA 19 2.842 0.684 3.312 163 H ALA 20 HN ALA 20 4.768 -0.618 0.413 164 HA ALA 20 HA ALA 20 7.145 -2.148 0.960 165 HB1 ALA 20 HB1 ALA 20 5.714 -1.610 -1.667 166 HB2 ALA 20 HB2 ALA 20 5.197 -2.806 -0.478 167 HB3 ALA 20 HB3 ALA 20 6.743 -2.995 -1.304 168 H GLY 21 HN GLY 21 6.511 0.695 -1.115 169 HA2 GLY 21 HA2 GLY 21 9.103 0.870 -2.306 170 HA3 GLY 21 HA3 GLY 21 7.985 2.223 -2.117 171 H VAL 22 HN VAL 22 7.788 2.233 0.717 172 HA VAL 22 HA VAL 22 10.080 3.788 1.464 173 HB VAL 22 HB VAL 22 7.948 2.360 3.096 174 HG11 VAL 22 HG11 VAL 22 8.578 4.332 4.710 175 HG12 VAL 22 HG12 VAL 22 10.111 4.314 3.840 176 HG13 VAL 22 HG13 VAL 22 9.570 2.874 4.703 177 HG21 VAL 22 HG21 VAL 22 7.855 5.283 2.831 178 HG22 VAL 22 HG22 VAL 22 6.574 4.094 2.596 179 HG23 VAL 22 HG23 VAL 22 7.698 4.448 1.286 180 H GLY 23 HN GLY 23 9.216 0.371 2.074 181 HA2 GLY 23 HA2 GLY 23 11.371 -0.277 3.820 182 HA3 GLY 23 HA3 GLY 23 10.534 -1.436 2.785 183 H ILE 24 HN ILE 24 11.144 -0.349 0.260 184 HA ILE 24 HA ILE 24 13.819 -1.375 -0.180 185 HB ILE 24 HB ILE 24 11.926 0.280 -1.901 186 HG12 ILE 24 HG12 ILE 24 12.403 -2.645 -2.295 187 HG13 ILE 24 HG13 ILE 24 11.396 -2.164 -0.929 188 HG21 ILE 24 HG21 ILE 24 14.434 -1.278 -2.579 189 HG22 ILE 24 HG22 ILE 24 14.125 0.435 -2.861 190 HG23 ILE 24 HG23 ILE 24 13.251 -0.783 -3.788 191 HD11 ILE 24 HD11 ILE 24 9.984 -2.527 -2.889 192 HD12 ILE 24 HD12 ILE 24 10.961 -1.402 -3.831 193 HD13 ILE 24 HD13 ILE 24 9.993 -0.812 -2.481 194 H TYR 25 HN TYR 25 12.452 1.908 0.169 195 HA TYR 25 HA TYR 25 14.788 3.372 -0.634 196 HB2 TYR 25 HB2 TYR 25 12.330 4.105 -0.149 197 HB3 TYR 25 HB3 TYR 25 12.872 4.249 1.525 198 HD1 TYR 25 HD2 TYR 25 14.559 5.903 2.173 199 HD2 TYR 25 HD1 TYR 25 13.218 5.570 -1.894 200 HE1 TYR 25 HE2 TYR 25 15.593 8.096 1.653 201 HE2 TYR 25 HE1 TYR 25 14.253 7.761 -2.415 202 HH TYR 25 HH TYR 25 16.489 9.138 -0.918 203 H LEU 26 HN LEU 26 13.936 1.683 2.331 204 HA LEU 26 HA LEU 26 16.052 2.899 3.957 205 HB2 LEU 26 HB2 LEU 26 14.204 0.506 4.235 206 HB3 LEU 26 HB3 LEU 26 15.347 0.981 5.490 207 HG LEU 26 HG LEU 26 13.502 3.065 4.378 208 HD11 LEU 26 HD11 LEU 26 11.659 2.389 5.661 209 HD12 LEU 26 HD12 LEU 26 12.631 1.318 6.669 210 HD13 LEU 26 HD13 LEU 26 12.249 0.861 5.010 211 HD21 LEU 26 HD21 LEU 26 13.752 4.003 6.589 212 HD22 LEU 26 HD22 LEU 26 15.357 3.516 6.047 213 HD23 LEU 26 HD23 LEU 26 14.474 2.514 7.199 214 H LEU 27 HN LEU 27 15.803 0.341 1.620 215 HA LEU 27 HA LEU 27 18.626 -0.467 2.169 216 HB2 LEU 27 HB2 LEU 27 16.658 -1.946 3.118 217 HB3 LEU 27 HB3 LEU 27 16.502 -2.472 1.441 218 HG LEU 27 HG LEU 27 19.144 -2.756 1.657 219 HD11 LEU 27 HD11 LEU 27 18.184 -3.248 4.491 220 HD12 LEU 27 HD12 LEU 27 19.120 -1.837 3.997 221 HD13 LEU 27 HD13 LEU 27 19.827 -3.448 3.879 222 HD21 LEU 27 HD21 LEU 27 17.481 -4.538 1.143 223 HD22 LEU 27 HD22 LEU 27 17.177 -4.726 2.870 224 HD23 LEU 27 HD23 LEU 27 18.764 -5.116 2.206 225 HA PRO 28 HA PRO 28 17.564 -0.102 -2.367 226 HB2 PRO 28 HB2 PRO 28 18.224 2.501 -2.911 227 HB3 PRO 28 HB3 PRO 28 16.608 1.991 -2.389 228 HG2 PRO 28 HG2 PRO 28 18.604 3.522 -0.936 229 HG3 PRO 28 HG3 PRO 28 16.896 3.273 -0.572 230 HD2 PRO 28 HD2 PRO 28 19.209 1.950 0.580 231 HD3 PRO 28 HD3 PRO 28 17.515 1.874 1.083 232 H ASN 29 HN ASN 29 20.338 0.939 -0.488 233 HA ASN 29 HA ASN 29 22.157 0.705 -2.839 234 HB2 ASN 29 HB2 ASN 29 22.238 1.872 -0.079 235 HB3 ASN 29 HB3 ASN 29 23.765 1.413 -0.832 236 HD21 ASN 29 HD21 ASN 29 20.760 3.257 -1.638 237 HD22 ASN 29 HD22 ASN 29 21.560 4.423 -2.576 238 H ARG 30 HN ARG 30 21.405 -0.839 0.267 239 HA ARG 30 HA ARG 30 23.574 -2.839 -0.105 240 HB2 ARG 30 HB2 ARG 30 21.550 -2.304 2.098 241 HB3 ARG 30 HB3 ARG 30 22.824 -3.519 2.188 242 HG2 ARG 30 HG2 ARG 30 24.482 -1.632 1.738 243 HG3 ARG 30 HG3 ARG 30 23.144 -0.514 2.014 244 HD2 ARG 30 HD2 ARG 30 22.828 -1.967 4.227 245 HD3 ARG 30 HD3 ARG 30 24.553 -2.297 3.970 246 HE ARG 30 HE ARG 30 24.656 0.329 3.677 247 HH11 ARG 30 HH21 ARG 30 25.088 -0.632 6.448 248 HH12 ARG 30 HH22 ARG 30 23.897 0.246 7.349 249 HH21 ARG 30 HH11 ARG 30 22.033 1.112 4.545 250 HH22 ARG 30 HH12 ARG 30 22.163 1.239 6.268 Start of MODEL 33 1 HA HIS 1 HA HIS 1 -23.998 -6.336 -5.905 2 HB2 HIS 1 HB2 HIS 1 -23.341 -4.075 -6.748 3 HB3 HIS 1 HB3 HIS 1 -24.132 -5.049 -7.983 4 HD1 HIS 1 HD1 HIS 1 -24.777 -2.130 -5.658 5 HD2 HIS 1 HD2 HIS 1 -26.579 -4.010 -8.915 6 HE1 HIS 1 HE1 HIS 1 -26.690 -0.636 -6.381 7 H SER 2 HN SER 2 -23.004 -5.347 -4.076 8 HA SER 2 HA SER 2 -24.329 -3.259 -2.527 9 HB2 SER 2 HB2 SER 2 -24.814 -4.785 -0.588 10 HB3 SER 2 HB3 SER 2 -25.786 -5.145 -2.010 11 HG SER 2 HG SER 2 -23.557 -6.519 -0.955 12 H VAL 3 HN VAL 3 -22.020 -2.565 -2.960 13 HA VAL 3 HA VAL 3 -19.988 -3.953 -1.267 14 HB VAL 3 HB VAL 3 -19.685 -1.690 -3.277 15 HG11 VAL 3 HG11 VAL 3 -17.610 -1.668 -2.351 16 HG12 VAL 3 HG12 VAL 3 -17.359 -3.167 -3.246 17 HG13 VAL 3 HG13 VAL 3 -17.851 -3.223 -1.554 18 HG21 VAL 3 HG21 VAL 3 -20.456 -3.403 -4.653 19 HG22 VAL 3 HG22 VAL 3 -19.836 -4.671 -3.596 20 HG23 VAL 3 HG23 VAL 3 -18.730 -3.766 -4.630 21 H SER 4 HN SER 4 -21.982 -2.574 0.176 22 HA SER 4 HA SER 4 -21.046 0.122 0.854 23 HB2 SER 4 HB2 SER 4 -23.423 -0.467 0.861 24 HB3 SER 4 HB3 SER 4 -23.124 -1.745 2.034 25 HG SER 4 HG SER 4 -23.134 1.040 2.351 26 H HIS 5 HN HIS 5 -20.840 -3.114 2.214 27 HA HIS 5 HA HIS 5 -18.924 -2.080 4.280 28 HB2 HIS 5 HB2 HIS 5 -21.248 -3.998 4.452 29 HB3 HIS 5 HB3 HIS 5 -19.937 -4.070 5.627 30 HD1 HIS 5 HD1 HIS 5 -19.804 -2.209 7.379 31 HD2 HIS 5 HD2 HIS 5 -22.759 -1.529 4.519 32 HE1 HIS 5 HE1 HIS 5 -21.172 -0.250 8.215 33 H ALA 6 HN ALA 6 -18.205 -3.106 1.683 34 HA ALA 6 HA ALA 6 -16.849 -5.664 2.462 35 HB1 ALA 6 HB1 ALA 6 -18.037 -4.870 -0.220 36 HB2 ALA 6 HB2 ALA 6 -18.766 -6.002 0.920 37 HB3 ALA 6 HB3 ALA 6 -17.237 -6.401 0.136 38 H ARG 7 HN ARG 7 -15.351 -3.558 2.992 39 HA ARG 7 HA ARG 7 -13.608 -3.102 0.585 40 HB2 ARG 7 HB2 ARG 7 -14.972 -1.180 1.637 41 HB3 ARG 7 HB3 ARG 7 -13.879 -1.314 3.014 42 HG2 ARG 7 HG2 ARG 7 -12.093 -1.259 0.948 43 HG3 ARG 7 HG3 ARG 7 -13.379 -0.236 0.306 44 HD2 ARG 7 HD2 ARG 7 -13.030 0.521 3.029 45 HD3 ARG 7 HD3 ARG 7 -11.413 0.433 2.301 46 HE ARG 7 HE ARG 7 -12.619 1.764 0.349 47 HH11 ARG 7 HH21 ARG 7 -15.100 2.367 1.784 48 HH12 ARG 7 HH22 ARG 7 -14.754 3.866 2.578 49 HH21 ARG 7 HH11 ARG 7 -11.311 3.563 2.223 50 HH22 ARG 7 HH12 ARG 7 -12.602 4.546 2.829 51 HA PRO 8 HA PRO 8 -11.204 -5.301 3.919 52 HB2 PRO 8 HB2 PRO 8 -10.302 -7.370 2.375 53 HB3 PRO 8 HB3 PRO 8 -11.853 -7.411 3.234 54 HG2 PRO 8 HG2 PRO 8 -11.295 -6.937 0.363 55 HG3 PRO 8 HG3 PRO 8 -12.663 -7.754 1.130 56 HD2 PRO 8 HD2 PRO 8 -12.715 -5.179 0.129 57 HD3 PRO 8 HD3 PRO 8 -13.847 -5.829 1.332 58 H ARG 9 HN ARG 9 -9.937 -3.243 3.482 59 HA ARG 9 HA ARG 9 -7.901 -2.178 2.947 60 HB2 ARG 9 HB2 ARG 9 -7.278 -4.593 3.751 61 HB3 ARG 9 HB3 ARG 9 -6.898 -4.874 2.054 62 HG2 ARG 9 HG2 ARG 9 -5.573 -2.591 2.308 63 HG3 ARG 9 HG3 ARG 9 -5.567 -3.038 4.014 64 HD2 ARG 9 HD2 ARG 9 -3.593 -4.058 3.217 65 HD3 ARG 9 HD3 ARG 9 -4.766 -5.385 3.106 66 HE ARG 9 HE ARG 9 -3.971 -3.652 0.794 67 HH11 ARG 9 HH11 ARG 9 -3.056 -6.536 1.095 68 HH12 ARG 9 HH12 ARG 9 -4.174 -7.357 0.059 69 HH21 ARG 9 HH21 ARG 9 -6.401 -4.693 -0.087 70 HH22 ARG 9 HH22 ARG 9 -6.076 -6.311 -0.611 71 H TRP 10 HN TRP 10 -10.016 -2.631 0.834 72 HA TRP 10 HA TRP 10 -8.608 -3.096 -1.686 73 HB2 TRP 10 HB2 TRP 10 -11.269 -2.939 -0.716 74 HB3 TRP 10 HB3 TRP 10 -11.114 -1.669 -1.929 75 HD1 TRP 10 HD1 TRP 10 -11.502 -2.434 -4.316 76 HE1 TRP 10 HE1 TRP 10 -11.365 -4.674 -5.589 77 HE3 TRP 10 HE3 TRP 10 -9.801 -5.471 -0.580 78 HZ2 TRP 10 HZ2 TRP 10 -10.633 -7.392 -5.086 79 HZ3 TRP 10 HZ3 TRP 10 -9.392 -7.877 -1.003 80 HH2 TRP 10 HH2 TRP 10 -9.806 -8.842 -3.248 81 H PHE 11 HN PHE 11 -9.768 -0.232 0.100 82 HA PHE 11 HA PHE 11 -8.894 1.668 -1.944 83 HB2 PHE 11 HB2 PHE 11 -10.753 2.226 -0.535 84 HB3 PHE 11 HB3 PHE 11 -9.851 1.833 0.927 85 HD1 PHE 11 HD1 PHE 11 -10.120 4.245 -1.889 86 HD2 PHE 11 HD2 PHE 11 -8.377 3.420 1.950 87 HE1 PHE 11 HE1 PHE 11 -9.328 6.590 -1.743 88 HE2 PHE 11 HE2 PHE 11 -7.586 5.764 2.095 89 HZ PHE 11 HZ PHE 11 -8.062 7.350 0.248 90 H TRP 12 HN TRP 12 -7.491 0.226 0.962 91 HA TRP 12 HA TRP 12 -5.271 2.122 1.144 92 HB2 TRP 12 HB2 TRP 12 -5.903 -0.556 2.413 93 HB3 TRP 12 HB3 TRP 12 -4.508 0.427 2.856 94 HD1 TRP 12 HD1 TRP 12 -7.790 -0.231 4.065 95 HE1 TRP 12 HE1 TRP 12 -8.771 1.742 5.402 96 HE3 TRP 12 HE3 TRP 12 -4.604 3.490 2.618 97 HZ2 TRP 12 HZ2 TRP 12 -8.271 4.529 5.805 98 HZ3 TRP 12 HZ3 TRP 12 -4.879 5.791 3.493 99 HH2 TRP 12 HH2 TRP 12 -6.707 6.315 5.083 100 H PHE 13 HN PHE 13 -5.824 -0.017 -1.250 101 HA PHE 13 HA PHE 13 -3.485 -1.645 -1.412 102 HB2 PHE 13 HB2 PHE 13 -5.384 -2.044 -2.841 103 HB3 PHE 13 HB3 PHE 13 -5.326 -0.397 -3.468 104 HD1 PHE 13 HD1 PHE 13 -3.172 -3.460 -3.180 105 HD2 PHE 13 HD2 PHE 13 -4.223 0.008 -5.488 106 HE1 PHE 13 HE1 PHE 13 -1.638 -4.194 -4.985 107 HE2 PHE 13 HE2 PHE 13 -2.690 -0.728 -7.292 108 HZ PHE 13 HZ PHE 13 -1.397 -2.829 -7.040 109 H SER 14 HN SER 14 -4.155 1.612 -2.631 110 HA SER 14 HA SER 14 -1.598 2.095 -3.842 111 HB2 SER 14 HB2 SER 14 -2.346 4.487 -3.631 112 HB3 SER 14 HB3 SER 14 -3.583 3.438 -4.316 113 HG SER 14 HG SER 14 -4.791 3.901 -2.662 114 H LEU 15 HN LEU 15 -2.852 2.529 -0.596 115 HA LEU 15 HA LEU 15 -0.616 3.942 0.543 116 HB2 LEU 15 HB2 LEU 15 -3.146 3.269 1.288 117 HB3 LEU 15 HB3 LEU 15 -2.237 2.068 2.200 118 HG LEU 15 HG LEU 15 -2.569 4.102 3.542 119 HD11 LEU 15 HD11 LEU 15 -0.366 4.286 4.327 120 HD12 LEU 15 HD12 LEU 15 0.324 4.140 2.710 121 HD13 LEU 15 HD13 LEU 15 -0.355 2.722 3.510 122 HD21 LEU 15 HD21 LEU 15 -2.644 5.591 1.449 123 HD22 LEU 15 HD22 LEU 15 -0.881 5.571 1.506 124 HD23 LEU 15 HD23 LEU 15 -1.799 6.246 2.852 125 H LEU 16 HN LEU 16 -1.450 0.473 0.305 126 HA LEU 16 HA LEU 16 0.786 -0.537 1.796 127 HB2 LEU 16 HB2 LEU 16 -1.444 -1.626 0.957 128 HB3 LEU 16 HB3 LEU 16 -0.533 -1.951 -0.517 129 HG LEU 16 HG LEU 16 0.935 -2.666 1.925 130 HD11 LEU 16 HD11 LEU 16 -1.392 -3.184 2.650 131 HD12 LEU 16 HD12 LEU 16 -0.411 -4.637 2.462 132 HD13 LEU 16 HD13 LEU 16 -1.586 -4.200 1.222 133 HD21 LEU 16 HD21 LEU 16 1.322 -3.239 -0.598 134 HD22 LEU 16 HD22 LEU 16 0.113 -4.493 -0.327 135 HD23 LEU 16 HD23 LEU 16 1.609 -4.493 0.607 136 H LEU 17 HN LEU 17 0.327 0.236 -1.610 137 HA LEU 17 HA LEU 17 2.796 -0.805 -2.624 138 HB2 LEU 17 HB2 LEU 17 0.607 0.146 -3.754 139 HB3 LEU 17 HB3 LEU 17 1.470 1.682 -3.676 140 HG LEU 17 HG LEU 17 3.425 0.070 -4.675 141 HD11 LEU 17 HD11 LEU 17 2.024 -1.893 -4.869 142 HD12 LEU 17 HD12 LEU 17 2.302 -1.268 -6.496 143 HD13 LEU 17 HD13 LEU 17 0.763 -0.971 -5.687 144 HD21 LEU 17 HD21 LEU 17 2.810 1.040 -6.891 145 HD22 LEU 17 HD22 LEU 17 2.749 2.238 -5.598 146 HD23 LEU 17 HD23 LEU 17 1.255 1.532 -6.218 147 H LEU 18 HN LEU 18 1.904 2.238 -1.124 148 HA LEU 18 HA LEU 18 4.412 3.611 -1.572 149 HB2 LEU 18 HB2 LEU 18 2.012 4.471 -0.990 150 HB3 LEU 18 HB3 LEU 18 2.481 4.144 0.678 151 HG LEU 18 HG LEU 18 4.614 5.523 0.118 152 HD11 LEU 18 HD11 LEU 18 2.728 6.329 -2.115 153 HD12 LEU 18 HD12 LEU 18 4.351 5.661 -2.284 154 HD13 LEU 18 HD13 LEU 18 4.129 7.281 -1.625 155 HD21 LEU 18 HD21 LEU 18 2.730 6.234 1.615 156 HD22 LEU 18 HD22 LEU 18 1.932 6.941 0.209 157 HD23 LEU 18 HD23 LEU 18 3.480 7.581 0.759 158 H ALA 19 HN ALA 19 3.070 1.653 1.043 159 HA ALA 19 HA ALA 19 5.136 2.065 2.990 160 HB1 ALA 19 HB1 ALA 19 2.792 0.974 3.154 161 HB2 ALA 19 HB2 ALA 19 4.090 0.235 4.091 162 HB3 ALA 19 HB3 ALA 19 3.578 -0.493 2.568 163 H ALA 20 HN ALA 20 4.775 -0.318 0.357 164 HA ALA 20 HA ALA 20 7.100 -1.897 0.940 165 HB1 ALA 20 HB1 ALA 20 6.728 -2.744 -1.297 166 HB2 ALA 20 HB2 ALA 20 5.866 -1.279 -1.764 167 HB3 ALA 20 HB3 ALA 20 5.143 -2.397 -0.606 168 H GLY 21 HN GLY 21 6.629 1.066 -0.986 169 HA2 GLY 21 HA2 GLY 21 9.286 1.159 -2.092 170 HA3 GLY 21 HA3 GLY 21 8.181 2.530 -1.969 171 H VAL 22 HN VAL 22 7.825 2.530 0.859 172 HA VAL 22 HA VAL 22 10.057 4.080 1.746 173 HB VAL 22 HB VAL 22 7.824 2.600 3.178 174 HG11 VAL 22 HG11 VAL 22 8.343 4.124 5.102 175 HG12 VAL 22 HG12 VAL 22 9.816 4.614 4.265 176 HG13 VAL 22 HG13 VAL 22 9.615 2.943 4.790 177 HG21 VAL 22 HG21 VAL 22 8.204 5.557 2.623 178 HG22 VAL 22 HG22 VAL 22 6.756 4.769 3.249 179 HG23 VAL 22 HG23 VAL 22 7.266 4.484 1.585 180 H GLY 23 HN GLY 23 9.215 0.646 2.308 181 HA2 GLY 23 HA2 GLY 23 11.410 0.048 4.055 182 HA3 GLY 23 HA3 GLY 23 10.507 -1.140 3.114 183 H ILE 24 HN ILE 24 11.033 -0.236 0.508 184 HA ILE 24 HA ILE 24 13.645 -1.349 0.004 185 HB ILE 24 HB ILE 24 11.623 0.233 -1.618 186 HG12 ILE 24 HG12 ILE 24 12.515 -2.650 -1.884 187 HG13 ILE 24 HG13 ILE 24 11.192 -2.164 -0.824 188 HG21 ILE 24 HG21 ILE 24 14.299 -0.906 -2.459 189 HG22 ILE 24 HG22 ILE 24 13.685 0.728 -2.713 190 HG23 ILE 24 HG23 ILE 24 12.995 -0.623 -3.612 191 HD11 ILE 24 HD11 ILE 24 10.214 -2.815 -2.929 192 HD12 ILE 24 HD12 ILE 24 11.355 -1.816 -3.830 193 HD13 ILE 24 HD13 ILE 24 10.116 -1.057 -2.830 194 H TYR 25 HN TYR 25 12.467 2.008 0.342 195 HA TYR 25 HA TYR 25 14.838 3.331 -0.598 196 HB2 TYR 25 HB2 TYR 25 12.460 4.219 -0.020 197 HB3 TYR 25 HB3 TYR 25 13.064 4.327 1.635 198 HD1 TYR 25 HD2 TYR 25 14.876 5.871 2.225 199 HD2 TYR 25 HD1 TYR 25 13.366 5.640 -1.790 200 HE1 TYR 25 HE2 TYR 25 16.018 8.001 1.674 201 HE2 TYR 25 HE1 TYR 25 14.509 7.771 -2.342 202 HH TYR 25 HH TYR 25 16.875 9.003 -0.933 203 H LEU 26 HN LEU 26 14.037 1.738 2.435 204 HA LEU 26 HA LEU 26 16.305 2.845 3.930 205 HB2 LEU 26 HB2 LEU 26 14.251 0.658 4.328 206 HB3 LEU 26 HB3 LEU 26 15.551 0.919 5.490 207 HG LEU 26 HG LEU 26 14.021 3.329 4.642 208 HD11 LEU 26 HD11 LEU 26 12.334 1.439 5.016 209 HD12 LEU 26 HD12 LEU 26 12.129 2.874 6.021 210 HD13 LEU 26 HD13 LEU 26 12.877 1.425 6.695 211 HD21 LEU 26 HD21 LEU 26 15.024 2.280 7.310 212 HD22 LEU 26 HD22 LEU 26 14.351 3.885 7.025 213 HD23 LEU 26 HD23 LEU 26 15.879 3.424 6.274 214 H LEU 27 HN LEU 27 15.785 0.279 1.653 215 HA LEU 27 HA LEU 27 18.574 -0.696 2.080 216 HB2 LEU 27 HB2 LEU 27 16.585 -2.035 3.175 217 HB3 LEU 27 HB3 LEU 27 16.296 -2.587 1.524 218 HG LEU 27 HG LEU 27 18.930 -3.019 1.597 219 HD11 LEU 27 HD11 LEU 27 18.977 -2.056 3.968 220 HD12 LEU 27 HD12 LEU 27 19.748 -3.628 3.754 221 HD13 LEU 27 HD13 LEU 27 18.142 -3.525 4.473 222 HD21 LEU 27 HD21 LEU 27 16.910 -4.848 2.937 223 HD22 LEU 27 HD22 LEU 27 18.439 -5.345 2.212 224 HD23 LEU 27 HD23 LEU 27 17.148 -4.708 1.194 225 HA PRO 28 HA PRO 28 17.290 -0.367 -2.404 226 HB2 PRO 28 HB2 PRO 28 18.066 2.181 -3.043 227 HB3 PRO 28 HB3 PRO 28 16.454 1.778 -2.426 228 HG2 PRO 28 HG2 PRO 28 18.611 3.218 -1.114 229 HG3 PRO 28 HG3 PRO 28 16.912 3.084 -0.663 230 HD2 PRO 28 HD2 PRO 28 19.192 1.650 0.414 231 HD3 PRO 28 HD3 PRO 28 17.521 1.683 0.993 232 H ASN 29 HN ASN 29 20.199 0.540 -0.681 233 HA ASN 29 HA ASN 29 21.877 0.068 -3.111 234 HB2 ASN 29 HB2 ASN 29 23.617 1.200 -1.802 235 HB3 ASN 29 HB3 ASN 29 22.145 2.168 -1.793 236 HD21 ASN 29 HD21 ASN 29 21.096 2.520 0.243 237 HD22 ASN 29 HD22 ASN 29 21.696 1.911 1.709 238 H ARG 30 HN ARG 30 20.586 -1.799 -0.721 239 HA ARG 30 HA ARG 30 22.864 -3.711 -0.819 240 HB2 ARG 30 HB2 ARG 30 22.783 -2.088 1.245 241 HB3 ARG 30 HB3 ARG 30 21.462 -3.128 1.782 242 HG2 ARG 30 HG2 ARG 30 23.354 -4.139 2.749 243 HG3 ARG 30 HG3 ARG 30 23.099 -5.087 1.284 244 HD2 ARG 30 HD2 ARG 30 25.315 -4.629 0.896 245 HD3 ARG 30 HD3 ARG 30 24.705 -3.057 0.344 246 HE ARG 30 HE ARG 30 25.277 -2.112 2.495 247 HH11 ARG 30 HH11 ARG 30 27.844 -3.470 2.070 248 HH12 ARG 30 HH12 ARG 30 28.037 -4.420 3.506 249 HH21 ARG 30 HH21 ARG 30 24.687 -4.205 4.411 250 HH22 ARG 30 HH22 ARG 30 26.242 -4.839 4.837 Start of MODEL 34 1 HA HIS 1 HA HIS 1 -4.165 -13.249 -8.315 2 HB2 HIS 1 HB2 HIS 1 -3.716 -15.331 -10.235 3 HB3 HIS 1 HB3 HIS 1 -4.017 -13.835 -11.118 4 HD1 HIS 1 HD1 HIS 1 -2.678 -11.698 -9.594 5 HD2 HIS 1 HD2 HIS 1 -1.002 -15.508 -9.836 6 HE1 HIS 1 HE1 HIS 1 -0.212 -11.430 -9.084 7 H SER 2 HN SER 2 -4.577 -11.957 -10.853 8 HA SER 2 HA SER 2 -6.098 -10.491 -11.893 9 HB2 SER 2 HB2 SER 2 -7.893 -12.867 -11.297 10 HB3 SER 2 HB3 SER 2 -8.293 -11.568 -12.415 11 HG SER 2 HG SER 2 -7.342 -13.003 -13.709 12 H VAL 3 HN VAL 3 -5.679 -10.035 -9.093 13 HA VAL 3 HA VAL 3 -6.616 -8.891 -7.254 14 HB VAL 3 HB VAL 3 -8.655 -8.042 -9.336 15 HG11 VAL 3 HG11 VAL 3 -8.401 -5.855 -8.071 16 HG12 VAL 3 HG12 VAL 3 -7.463 -6.745 -6.871 17 HG13 VAL 3 HG13 VAL 3 -9.154 -7.160 -7.154 18 HG21 VAL 3 HG21 VAL 3 -6.862 -6.150 -9.655 19 HG22 VAL 3 HG22 VAL 3 -6.646 -7.685 -10.496 20 HG23 VAL 3 HG23 VAL 3 -5.739 -7.353 -9.020 21 H SER 4 HN SER 4 -7.421 -11.588 -7.334 22 HA SER 4 HA SER 4 -10.336 -11.770 -7.053 23 HB2 SER 4 HB2 SER 4 -9.275 -13.672 -7.964 24 HB3 SER 4 HB3 SER 4 -7.961 -13.605 -6.795 25 HG SER 4 HG SER 4 -10.593 -14.548 -6.509 26 H HIS 5 HN HIS 5 -7.640 -11.169 -4.960 27 HA HIS 5 HA HIS 5 -9.452 -11.379 -2.576 28 HB2 HIS 5 HB2 HIS 5 -6.716 -12.381 -3.173 29 HB3 HIS 5 HB3 HIS 5 -6.978 -11.756 -1.546 30 HD1 HIS 5 HD1 HIS 5 -8.850 -14.090 -3.943 31 HD2 HIS 5 HD2 HIS 5 -7.982 -13.702 0.118 32 HE1 HIS 5 HE1 HIS 5 -9.877 -16.099 -2.796 33 H ALA 6 HN ALA 6 -9.506 -8.983 -3.762 34 HA ALA 6 HA ALA 6 -7.386 -7.250 -2.583 35 HB1 ALA 6 HB1 ALA 6 -8.119 -5.656 -4.190 36 HB2 ALA 6 HB2 ALA 6 -9.685 -6.445 -4.372 37 HB3 ALA 6 HB3 ALA 6 -8.234 -7.208 -5.021 38 H ARG 7 HN ARG 7 -9.791 -8.561 -1.082 39 HA ARG 7 HA ARG 7 -11.684 -6.566 -0.338 40 HB2 ARG 7 HB2 ARG 7 -10.745 -9.187 0.556 41 HB3 ARG 7 HB3 ARG 7 -11.254 -8.174 1.906 42 HG2 ARG 7 HG2 ARG 7 -13.320 -7.650 0.358 43 HG3 ARG 7 HG3 ARG 7 -12.862 -9.160 -0.431 44 HD2 ARG 7 HD2 ARG 7 -14.122 -10.152 1.199 45 HD3 ARG 7 HD3 ARG 7 -12.731 -9.835 2.254 46 HE ARG 7 HE ARG 7 -15.218 -8.239 2.151 47 HH11 ARG 7 HH11 ARG 7 -13.472 -9.309 4.529 48 HH12 ARG 7 HH12 ARG 7 -12.917 -7.805 5.182 49 HH21 ARG 7 HH21 ARG 7 -13.847 -5.951 2.393 50 HH22 ARG 7 HH22 ARG 7 -13.131 -5.897 3.969 51 HA PRO 8 HA PRO 8 -8.752 -5.357 3.252 52 HB2 PRO 8 HB2 PRO 8 -6.182 -6.293 3.225 53 HB3 PRO 8 HB3 PRO 8 -7.517 -7.160 4.007 54 HG2 PRO 8 HG2 PRO 8 -6.218 -7.658 1.385 55 HG3 PRO 8 HG3 PRO 8 -6.853 -8.809 2.568 56 HD2 PRO 8 HD2 PRO 8 -8.152 -8.085 0.263 57 HD3 PRO 8 HD3 PRO 8 -8.963 -8.710 1.715 58 H ARG 9 HN ARG 9 -7.748 -5.527 -0.060 59 HA ARG 9 HA ARG 9 -5.811 -3.302 0.159 60 HB2 ARG 9 HB2 ARG 9 -6.916 -4.831 -2.230 61 HB3 ARG 9 HB3 ARG 9 -5.502 -3.779 -2.242 62 HG2 ARG 9 HG2 ARG 9 -5.533 -5.996 -0.242 63 HG3 ARG 9 HG3 ARG 9 -5.297 -6.437 -1.932 64 HD2 ARG 9 HD2 ARG 9 -3.449 -4.708 -2.043 65 HD3 ARG 9 HD3 ARG 9 -3.605 -4.529 -0.284 66 HE ARG 9 HE ARG 9 -2.492 -6.858 -1.673 67 HH11 ARG 9 HH21 ARG 9 -1.412 -5.844 0.907 68 HH12 ARG 9 HH22 ARG 9 -1.997 -7.008 2.048 69 HH21 ARG 9 HH11 ARG 9 -4.396 -8.301 -0.108 70 HH22 ARG 9 HH12 ARG 9 -3.690 -8.405 1.471 71 H TRP 10 HN TRP 10 -7.795 -3.265 -2.677 72 HA TRP 10 HA TRP 10 -9.289 -1.679 -3.540 73 HB2 TRP 10 HB2 TRP 10 -10.339 -2.800 -1.297 74 HB3 TRP 10 HB3 TRP 10 -10.378 -1.102 -0.835 75 HD1 TRP 10 HD1 TRP 10 -11.359 0.526 -3.018 76 HE1 TRP 10 HE1 TRP 10 -13.530 0.100 -4.339 77 HE3 TRP 10 HE3 TRP 10 -12.038 -4.438 -2.025 78 HZ2 TRP 10 HZ2 TRP 10 -15.321 -2.060 -4.899 79 HZ3 TRP 10 HZ3 TRP 10 -13.983 -5.653 -2.963 80 HH2 TRP 10 HH2 TRP 10 -15.624 -4.471 -4.398 81 H PHE 11 HN PHE 11 -9.040 -0.092 -0.353 82 HA PHE 11 HA PHE 11 -8.044 2.363 -1.714 83 HB2 PHE 11 HB2 PHE 11 -9.149 1.821 1.068 84 HB3 PHE 11 HB3 PHE 11 -8.753 3.417 0.431 85 HD1 PHE 11 HD2 PHE 11 -9.948 4.193 -1.712 86 HD2 PHE 11 HD1 PHE 11 -11.252 0.836 0.629 87 HE1 PHE 11 HE2 PHE 11 -12.187 4.324 -2.769 88 HE2 PHE 11 HE1 PHE 11 -13.489 0.966 -0.430 89 HZ PHE 11 HZ PHE 11 -13.958 2.712 -2.129 90 H TRP 12 HN TRP 12 -7.199 0.013 0.806 91 HA TRP 12 HA TRP 12 -4.818 1.413 1.713 92 HB2 TRP 12 HB2 TRP 12 -6.052 -0.145 3.133 93 HB3 TRP 12 HB3 TRP 12 -5.817 -1.443 1.965 94 HD1 TRP 12 HD1 TRP 12 -3.759 -2.905 2.282 95 HE1 TRP 12 HE1 TRP 12 -1.599 -2.762 3.682 96 HE3 TRP 12 HE3 TRP 12 -4.266 1.795 4.212 97 HZ2 TRP 12 HZ2 TRP 12 -0.264 -0.901 5.396 98 HZ3 TRP 12 HZ3 TRP 12 -2.539 2.727 5.725 99 HH2 TRP 12 HH2 TRP 12 -0.540 1.385 6.319 100 H PHE 13 HN PHE 13 -5.517 -0.425 -1.087 101 HA PHE 13 HA PHE 13 -3.080 -1.805 -1.562 102 HB2 PHE 13 HB2 PHE 13 -5.073 -2.165 -2.895 103 HB3 PHE 13 HB3 PHE 13 -5.081 -0.479 -3.407 104 HD1 PHE 13 HD2 PHE 13 -2.751 -3.424 -3.358 105 HD2 PHE 13 HD1 PHE 13 -4.165 0.031 -5.482 106 HE1 PHE 13 HE2 PHE 13 -1.270 -3.991 -5.266 107 HE2 PHE 13 HE1 PHE 13 -2.684 -0.535 -7.390 108 HZ PHE 13 HZ PHE 13 -1.235 -2.546 -7.281 109 H SER 14 HN SER 14 -4.052 1.451 -2.629 110 HA SER 14 HA SER 14 -1.529 2.172 -3.785 111 HB2 SER 14 HB2 SER 14 -2.476 4.519 -3.435 112 HB3 SER 14 HB3 SER 14 -3.518 3.413 -4.325 113 HG SER 14 HG SER 14 -4.783 4.317 -2.770 114 H LEU 15 HN LEU 15 -2.861 2.464 -0.547 115 HA LEU 15 HA LEU 15 -0.706 3.983 0.641 116 HB2 LEU 15 HB2 LEU 15 -3.167 2.604 1.377 117 HB3 LEU 15 HB3 LEU 15 -1.911 2.328 2.583 118 HG LEU 15 HG LEU 15 -2.337 5.107 1.538 119 HD11 LEU 15 HD11 LEU 15 -3.982 5.445 3.414 120 HD12 LEU 15 HD12 LEU 15 -4.037 3.693 3.611 121 HD13 LEU 15 HD13 LEU 15 -4.590 4.429 2.107 122 HD21 LEU 15 HD21 LEU 15 -1.309 3.783 4.047 123 HD22 LEU 15 HD22 LEU 15 -1.778 5.483 4.053 124 HD23 LEU 15 HD23 LEU 15 -0.485 4.928 2.989 125 H LEU 16 HN LEU 16 -1.410 0.509 0.323 126 HA LEU 16 HA LEU 16 0.841 -0.476 1.805 127 HB2 LEU 16 HB2 LEU 16 -1.323 -1.644 1.062 128 HB3 LEU 16 HB3 LEU 16 -0.588 -1.775 -0.531 129 HG LEU 16 HG LEU 16 -0.361 -3.782 1.104 130 HD11 LEU 16 HD11 LEU 16 1.130 -2.890 -1.027 131 HD12 LEU 16 HD12 LEU 16 1.324 -4.460 -0.247 132 HD13 LEU 16 HD13 LEU 16 2.361 -3.111 0.217 133 HD21 LEU 16 HD21 LEU 16 0.448 -2.165 2.960 134 HD22 LEU 16 HD22 LEU 16 1.995 -2.185 2.112 135 HD23 LEU 16 HD23 LEU 16 1.325 -3.683 2.760 136 H LEU 17 HN LEU 17 0.344 0.316 -1.596 137 HA LEU 17 HA LEU 17 2.837 -0.620 -2.635 138 HB2 LEU 17 HB2 LEU 17 0.637 0.295 -3.747 139 HB3 LEU 17 HB3 LEU 17 1.438 1.860 -3.608 140 HG LEU 17 HG LEU 17 3.473 0.569 -4.691 141 HD11 LEU 17 HD11 LEU 17 2.374 -1.641 -4.620 142 HD12 LEU 17 HD12 LEU 17 2.701 -1.156 -6.284 143 HD13 LEU 17 HD13 LEU 17 1.067 -1.026 -5.633 144 HD21 LEU 17 HD21 LEU 17 0.999 1.666 -6.019 145 HD22 LEU 17 HD22 LEU 17 2.339 1.063 -6.992 146 HD23 LEU 17 HD23 LEU 17 2.595 2.403 -5.876 147 H LEU 18 HN LEU 18 1.861 2.416 -1.146 148 HA LEU 18 HA LEU 18 4.340 3.837 -1.516 149 HB2 LEU 18 HB2 LEU 18 1.924 4.620 -0.893 150 HB3 LEU 18 HB3 LEU 18 2.407 4.244 0.762 151 HG LEU 18 HG LEU 18 4.496 5.695 0.271 152 HD11 LEU 18 HD11 LEU 18 4.263 5.873 -2.137 153 HD12 LEU 18 HD12 LEU 18 4.024 7.476 -1.442 154 HD13 LEU 18 HD13 LEU 18 2.634 6.529 -1.973 155 HD21 LEU 18 HD21 LEU 18 3.261 7.745 0.867 156 HD22 LEU 18 HD22 LEU 18 2.643 6.365 1.772 157 HD23 LEU 18 HD23 LEU 18 1.747 6.981 0.384 158 H ALA 19 HN ALA 19 3.054 1.754 1.024 159 HA ALA 19 HA ALA 19 5.143 2.129 2.965 160 HB1 ALA 19 HB1 ALA 19 4.113 0.248 4.022 161 HB2 ALA 19 HB2 ALA 19 3.541 -0.395 2.484 162 HB3 ALA 19 HB3 ALA 19 2.803 1.057 3.161 163 H ALA 20 HN ALA 20 4.746 -0.139 0.242 164 HA ALA 20 HA ALA 20 7.052 -1.773 0.756 165 HB1 ALA 20 HB1 ALA 20 5.244 -1.115 -1.540 166 HB2 ALA 20 HB2 ALA 20 5.568 -2.676 -0.786 167 HB3 ALA 20 HB3 ALA 20 6.745 -1.971 -1.895 168 H GLY 21 HN GLY 21 6.613 1.248 -1.093 169 HA2 GLY 21 HA2 GLY 21 9.273 1.344 -2.186 170 HA3 GLY 21 HA3 GLY 21 8.182 2.722 -2.031 171 H VAL 22 HN VAL 22 7.823 2.660 0.796 172 HA VAL 22 HA VAL 22 10.081 4.159 1.714 173 HB VAL 22 HB VAL 22 7.875 2.674 3.191 174 HG11 VAL 22 HG11 VAL 22 9.739 4.877 4.134 175 HG12 VAL 22 HG12 VAL 22 9.721 3.212 4.714 176 HG13 VAL 22 HG13 VAL 22 8.350 4.273 5.035 177 HG21 VAL 22 HG21 VAL 22 7.793 5.609 2.997 178 HG22 VAL 22 HG22 VAL 22 6.517 4.428 2.700 179 HG23 VAL 22 HG23 VAL 22 7.684 4.803 1.432 180 H GLY 23 HN GLY 23 9.162 0.737 2.222 181 HA2 GLY 23 HA2 GLY 23 11.337 0.079 3.976 182 HA3 GLY 23 HA3 GLY 23 10.406 -1.083 3.028 183 H ILE 24 HN ILE 24 10.952 -0.228 0.428 184 HA ILE 24 HA ILE 24 13.559 -1.368 -0.054 185 HB ILE 24 HB ILE 24 11.530 0.175 -1.702 186 HG12 ILE 24 HG12 ILE 24 12.456 -2.700 -1.935 187 HG13 ILE 24 HG13 ILE 24 11.132 -2.217 -0.875 188 HG21 ILE 24 HG21 ILE 24 14.197 -0.980 -2.559 189 HG22 ILE 24 HG22 ILE 24 13.623 0.673 -2.772 190 HG23 ILE 24 HG23 ILE 24 12.890 -0.641 -3.694 191 HD11 ILE 24 HD11 ILE 24 10.016 -1.161 -2.874 192 HD12 ILE 24 HD12 ILE 24 10.172 -2.915 -2.983 193 HD13 ILE 24 HD13 ILE 24 11.276 -1.874 -3.883 194 H TYR 25 HN TYR 25 12.393 2.004 0.194 195 HA TYR 25 HA TYR 25 14.792 3.275 -0.756 196 HB2 TYR 25 HB2 TYR 25 12.442 4.239 -0.300 197 HB3 TYR 25 HB3 TYR 25 12.945 4.342 1.389 198 HD1 TYR 25 HD2 TYR 25 13.552 5.589 -2.032 199 HD2 TYR 25 HD1 TYR 25 14.690 5.887 2.099 200 HE1 TYR 25 HE2 TYR 25 14.780 7.687 -2.521 201 HE2 TYR 25 HE1 TYR 25 15.919 7.983 1.610 202 HH TYR 25 HH TYR 25 17.024 8.907 -0.955 203 H LEU 26 HN LEU 26 13.937 1.764 2.293 204 HA LEU 26 HA LEU 26 16.162 2.920 3.813 205 HB2 LEU 26 HB2 LEU 26 13.850 1.144 4.193 206 HB3 LEU 26 HB3 LEU 26 15.271 0.593 5.076 207 HG LEU 26 HG LEU 26 13.946 2.110 6.475 208 HD11 LEU 26 HD11 LEU 26 16.309 3.761 5.639 209 HD12 LEU 26 HD12 LEU 26 16.573 2.154 6.315 210 HD13 LEU 26 HD13 LEU 26 15.731 3.381 7.261 211 HD21 LEU 26 HD21 LEU 26 12.836 3.416 4.747 212 HD22 LEU 26 HD22 LEU 26 14.380 4.069 4.198 213 HD23 LEU 26 HD23 LEU 26 13.748 4.514 5.783 214 H LEU 27 HN LEU 27 15.561 0.122 1.769 215 HA LEU 27 HA LEU 27 18.400 -0.760 2.171 216 HB2 LEU 27 HB2 LEU 27 16.426 -2.100 3.241 217 HB3 LEU 27 HB3 LEU 27 16.099 -2.621 1.588 218 HG LEU 27 HG LEU 27 18.612 -3.238 1.491 219 HD11 LEU 27 HD11 LEU 27 18.560 -3.739 4.391 220 HD12 LEU 27 HD12 LEU 27 18.645 -2.029 3.967 221 HD13 LEU 27 HD13 LEU 27 19.874 -3.146 3.375 222 HD21 LEU 27 HD21 LEU 27 16.790 -4.785 3.363 223 HD22 LEU 27 HD22 LEU 27 18.163 -5.439 2.468 224 HD23 LEU 27 HD23 LEU 27 16.734 -4.872 1.602 225 HA PRO 28 HA PRO 28 17.248 -0.460 -2.346 226 HB2 PRO 28 HB2 PRO 28 18.150 2.046 -3.000 227 HB3 PRO 28 HB3 PRO 28 16.498 1.714 -2.446 228 HG2 PRO 28 HG2 PRO 28 18.654 3.092 -1.065 229 HG3 PRO 28 HG3 PRO 28 16.933 3.040 -0.695 230 HD2 PRO 28 HD2 PRO 28 19.082 1.548 0.538 231 HD3 PRO 28 HD3 PRO 28 17.379 1.635 1.004 232 H ASN 29 HN ASN 29 20.115 0.406 -0.531 233 HA ASN 29 HA ASN 29 21.883 -0.250 -2.851 234 HB2 ASN 29 HB2 ASN 29 22.135 1.252 -0.257 235 HB3 ASN 29 HB3 ASN 29 23.589 0.616 -1.027 236 HD21 ASN 29 HD21 ASN 29 20.704 2.653 -1.756 237 HD22 ASN 29 HD22 ASN 29 21.492 3.608 -2.918 238 H ARG 30 HN ARG 30 20.597 -1.594 0.057 239 HA ARG 30 HA ARG 30 20.983 -3.629 1.164 240 HB2 ARG 30 HB2 ARG 30 21.333 -3.986 -1.564 241 HB3 ARG 30 HB3 ARG 30 22.809 -4.675 -0.889 242 HG2 ARG 30 HG2 ARG 30 21.360 -6.505 -0.818 243 HG3 ARG 30 HG3 ARG 30 21.168 -5.834 0.802 244 HD2 ARG 30 HD2 ARG 30 19.038 -5.025 0.366 245 HD3 ARG 30 HD3 ARG 30 19.367 -4.800 -1.363 246 HE ARG 30 HE ARG 30 19.240 -7.271 -1.620 247 HH11 ARG 30 HH11 ARG 30 16.526 -6.491 -0.710 248 HH12 ARG 30 HH12 ARG 30 16.247 -7.559 0.624 249 HH21 ARG 30 HH21 ARG 30 19.603 -8.397 0.989 250 HH22 ARG 30 HH22 ARG 30 17.999 -8.644 1.590 Start of MODEL 35 1 HA HIS 1 HA HIS 1 -4.300 -12.530 -8.651 2 HB2 HIS 1 HB2 HIS 1 -6.585 -10.542 -8.448 3 HB3 HIS 1 HB3 HIS 1 -5.780 -11.218 -7.032 4 HD1 HIS 1 HD1 HIS 1 -3.153 -10.703 -6.821 5 HD2 HIS 1 HD2 HIS 1 -5.187 -8.470 -9.695 6 HE1 HIS 1 HE1 HIS 1 -1.640 -8.765 -7.425 7 H SER 2 HN SER 2 -4.870 -14.472 -7.733 8 HA SER 2 HA SER 2 -7.651 -15.488 -8.175 9 HB2 SER 2 HB2 SER 2 -5.035 -16.869 -7.495 10 HB3 SER 2 HB3 SER 2 -6.560 -17.691 -7.807 11 HG SER 2 HG SER 2 -5.586 -17.658 -9.747 12 H VAL 3 HN VAL 3 -6.758 -13.627 -5.919 13 HA VAL 3 HA VAL 3 -7.086 -13.407 -3.595 14 HB VAL 3 HB VAL 3 -8.918 -15.772 -4.120 15 HG11 VAL 3 HG11 VAL 3 -10.277 -14.443 -2.341 16 HG12 VAL 3 HG12 VAL 3 -8.739 -13.661 -1.977 17 HG13 VAL 3 HG13 VAL 3 -8.906 -15.408 -1.795 18 HG21 VAL 3 HG21 VAL 3 -9.159 -12.833 -4.736 19 HG22 VAL 3 HG22 VAL 3 -10.603 -13.775 -4.368 20 HG23 VAL 3 HG23 VAL 3 -9.593 -14.215 -5.743 21 H SER 4 HN SER 4 -4.717 -14.581 -3.884 22 HA SER 4 HA SER 4 -4.526 -17.256 -2.748 23 HB2 SER 4 HB2 SER 4 -2.907 -15.461 -4.156 24 HB3 SER 4 HB3 SER 4 -2.137 -15.594 -2.577 25 HG SER 4 HG SER 4 -1.881 -17.738 -2.876 26 H HIS 5 HN HIS 5 -4.614 -14.029 -1.466 27 HA HIS 5 HA HIS 5 -4.026 -15.082 1.282 28 HB2 HIS 5 HB2 HIS 5 -2.583 -13.284 -0.071 29 HB3 HIS 5 HB3 HIS 5 -3.811 -12.187 0.552 30 HD1 HIS 5 HD1 HIS 5 -4.306 -12.950 3.332 31 HD2 HIS 5 HD2 HIS 5 -0.481 -13.298 1.706 32 HE1 HIS 5 HE1 HIS 5 -2.694 -12.972 5.286 33 H ALA 6 HN ALA 6 -6.645 -15.030 -0.136 34 HA ALA 6 HA ALA 6 -8.890 -14.487 0.327 35 HB1 ALA 6 HB1 ALA 6 -7.793 -15.115 2.619 36 HB2 ALA 6 HB2 ALA 6 -9.367 -14.321 2.623 37 HB3 ALA 6 HB3 ALA 6 -7.909 -13.388 2.956 38 H ARG 7 HN ARG 7 -7.139 -12.441 -0.948 39 HA ARG 7 HA ARG 7 -7.189 -10.159 -1.542 40 HB2 ARG 7 HB2 ARG 7 -9.998 -10.781 -0.602 41 HB3 ARG 7 HB3 ARG 7 -9.576 -9.234 -1.333 42 HG2 ARG 7 HG2 ARG 7 -8.483 -10.833 -3.180 43 HG3 ARG 7 HG3 ARG 7 -9.716 -11.944 -2.581 44 HD2 ARG 7 HD2 ARG 7 -10.366 -9.090 -3.384 45 HD3 ARG 7 HD3 ARG 7 -10.461 -10.452 -4.518 46 HE ARG 7 HE ARG 7 -11.902 -10.635 -1.909 47 HH11 ARG 7 HH21 ARG 7 -13.325 -8.941 -3.945 48 HH12 ARG 7 HH22 ARG 7 -14.323 -10.106 -4.748 49 HH21 ARG 7 HH11 ARG 7 -12.544 -12.842 -3.549 50 HH22 ARG 7 HH12 ARG 7 -13.878 -12.325 -4.524 51 HA PRO 8 HA PRO 8 -6.754 -8.786 2.875 52 HB2 PRO 8 HB2 PRO 8 -4.068 -8.292 2.811 53 HB3 PRO 8 HB3 PRO 8 -4.743 -9.884 3.200 54 HG2 PRO 8 HG2 PRO 8 -3.497 -8.921 0.693 55 HG3 PRO 8 HG3 PRO 8 -3.475 -10.532 1.423 56 HD2 PRO 8 HD2 PRO 8 -5.073 -9.758 -0.707 57 HD3 PRO 8 HD3 PRO 8 -5.357 -11.170 0.332 58 H ARG 9 HN ARG 9 -5.628 -6.605 3.560 59 HA ARG 9 HA ARG 9 -5.449 -4.277 3.313 60 HB2 ARG 9 HB2 ARG 9 -4.679 -5.307 0.574 61 HB3 ARG 9 HB3 ARG 9 -4.628 -3.591 0.970 62 HG2 ARG 9 HG2 ARG 9 -2.538 -4.012 1.737 63 HG3 ARG 9 HG3 ARG 9 -3.345 -4.725 3.133 64 HD2 ARG 9 HD2 ARG 9 -3.414 -6.780 1.255 65 HD3 ARG 9 HD3 ARG 9 -1.815 -6.049 1.013 66 HE ARG 9 HE ARG 9 -2.802 -6.846 3.732 67 HH11 ARG 9 HH11 ARG 9 -0.316 -5.324 3.783 68 HH12 ARG 9 HH12 ARG 9 0.912 -6.538 3.661 69 HH21 ARG 9 HH21 ARG 9 -1.258 -8.989 2.492 70 HH22 ARG 9 HH22 ARG 9 0.378 -8.621 2.925 71 H TRP 10 HN TRP 10 -6.695 -4.935 0.025 72 HA TRP 10 HA TRP 10 -8.731 -4.353 -1.007 73 HB2 TRP 10 HB2 TRP 10 -9.396 -5.312 1.452 74 HB3 TRP 10 HB3 TRP 10 -10.033 -3.673 1.579 75 HD1 TRP 10 HD1 TRP 10 -11.005 -6.980 0.436 76 HE1 TRP 10 HE1 TRP 10 -13.031 -6.872 -1.156 77 HE3 TRP 10 HE3 TRP 10 -11.034 -1.982 -0.622 78 HZ2 TRP 10 HZ2 TRP 10 -14.470 -4.924 -2.677 79 HZ3 TRP 10 HZ3 TRP 10 -12.740 -1.030 -2.143 80 HH2 TRP 10 HH2 TRP 10 -14.457 -2.493 -3.172 81 H PHE 11 HN PHE 11 -8.691 -2.241 1.896 82 HA PHE 11 HA PHE 11 -9.010 0.133 0.124 83 HB2 PHE 11 HB2 PHE 11 -9.268 -0.377 3.105 84 HB3 PHE 11 HB3 PHE 11 -9.473 1.215 2.376 85 HD1 PHE 11 HD2 PHE 11 -11.329 1.636 0.768 86 HD2 PHE 11 HD1 PHE 11 -10.953 -2.088 2.878 87 HE1 PHE 11 HE2 PHE 11 -13.679 1.077 0.202 88 HE2 PHE 11 HE1 PHE 11 -13.301 -2.645 2.312 89 HZ PHE 11 HZ PHE 11 -14.665 -1.063 0.974 90 H TRP 12 HN TRP 12 -6.611 -1.494 2.051 91 HA TRP 12 HA TRP 12 -4.890 0.920 2.274 92 HB2 TRP 12 HB2 TRP 12 -4.650 -1.951 3.234 93 HB3 TRP 12 HB3 TRP 12 -3.484 -0.683 3.597 94 HD1 TRP 12 HD1 TRP 12 -7.033 -1.820 4.385 95 HE1 TRP 12 HE1 TRP 12 -7.890 -0.522 6.440 96 HE3 TRP 12 HE3 TRP 12 -3.234 1.547 4.953 97 HZ2 TRP 12 HZ2 TRP 12 -7.073 1.653 8.106 98 HZ3 TRP 12 HZ3 TRP 12 -3.299 3.218 6.781 99 HH2 TRP 12 HH2 TRP 12 -5.212 3.276 8.357 100 H PHE 13 HN PHE 13 -5.511 -0.848 -0.302 101 HA PHE 13 HA PHE 13 -3.038 -2.060 -1.100 102 HB2 PHE 13 HB2 PHE 13 -5.115 -2.582 -2.212 103 HB3 PHE 13 HB3 PHE 13 -5.392 -0.884 -2.602 104 HD1 PHE 13 HD2 PHE 13 -2.931 -3.655 -3.163 105 HD2 PHE 13 HD1 PHE 13 -4.670 -0.023 -4.658 106 HE1 PHE 13 HE2 PHE 13 -1.687 -3.935 -5.289 107 HE2 PHE 13 HE1 PHE 13 -3.426 -0.303 -6.785 108 HZ PHE 13 HZ PHE 13 -1.934 -2.259 -7.100 109 H SER 14 HN SER 14 -4.383 1.168 -1.696 110 HA SER 14 HA SER 14 -2.225 2.202 -3.262 111 HB2 SER 14 HB2 SER 14 -4.115 3.615 -1.357 112 HB3 SER 14 HB3 SER 14 -3.219 4.378 -2.666 113 HG SER 14 HG SER 14 -4.583 3.565 -4.073 114 H LEU 15 HN LEU 15 -2.792 2.066 0.208 115 HA LEU 15 HA LEU 15 -0.550 3.666 1.054 116 HB2 LEU 15 HB2 LEU 15 -2.568 3.004 2.401 117 HB3 LEU 15 HB3 LEU 15 -1.957 1.350 2.435 118 HG LEU 15 HG LEU 15 0.118 3.205 3.239 119 HD11 LEU 15 HD11 LEU 15 -1.158 3.613 5.512 120 HD12 LEU 15 HD12 LEU 15 -2.594 3.469 4.497 121 HD13 LEU 15 HD13 LEU 15 -1.395 4.718 4.158 122 HD21 LEU 15 HD21 LEU 15 0.202 1.697 5.177 123 HD22 LEU 15 HD22 LEU 15 0.037 0.762 3.692 124 HD23 LEU 15 HD23 LEU 15 -1.362 1.016 4.735 125 H LEU 16 HN LEU 16 -0.972 0.151 0.527 126 HA LEU 16 HA LEU 16 1.647 -0.654 1.364 127 HB2 LEU 16 HB2 LEU 16 -0.577 -1.954 0.797 128 HB3 LEU 16 HB3 LEU 16 0.101 -2.012 -0.830 129 HG LEU 16 HG LEU 16 1.866 -2.780 1.465 130 HD11 LEU 16 HD11 LEU 16 -0.226 -4.604 0.238 131 HD12 LEU 16 HD12 LEU 16 -0.261 -3.978 1.887 132 HD13 LEU 16 HD13 LEU 16 1.018 -5.086 1.390 133 HD21 LEU 16 HD21 LEU 16 1.614 -3.280 -1.469 134 HD22 LEU 16 HD22 LEU 16 2.323 -4.563 -0.489 135 HD23 LEU 16 HD23 LEU 16 3.055 -2.959 -0.505 136 H LEU 17 HN LEU 17 0.364 0.494 -1.699 137 HA LEU 17 HA LEU 17 2.642 -0.034 -3.360 138 HB2 LEU 17 HB2 LEU 17 0.158 0.737 -3.831 139 HB3 LEU 17 HB3 LEU 17 0.847 2.355 -3.693 140 HG LEU 17 HG LEU 17 2.671 1.361 -5.344 141 HD11 LEU 17 HD11 LEU 17 1.971 -0.890 -5.526 142 HD12 LEU 17 HD12 LEU 17 1.353 -0.137 -6.997 143 HD13 LEU 17 HD13 LEU 17 0.268 -0.443 -5.640 144 HD21 LEU 17 HD21 LEU 17 1.498 2.403 -7.137 145 HD22 LEU 17 HD22 LEU 17 0.936 3.233 -5.686 146 HD23 LEU 17 HD23 LEU 17 -0.073 2.002 -6.444 147 H LEU 18 HN LEU 18 1.788 2.583 -1.193 148 HA LEU 18 HA LEU 18 4.061 4.286 -1.905 149 HB2 LEU 18 HB2 LEU 18 1.645 4.799 -0.921 150 HB3 LEU 18 HB3 LEU 18 2.454 4.522 0.621 151 HG LEU 18 HG LEU 18 3.719 6.350 -1.404 152 HD11 LEU 18 HD11 LEU 18 2.490 8.246 -0.463 153 HD12 LEU 18 HD12 LEU 18 1.587 7.164 0.597 154 HD13 LEU 18 HD13 LEU 18 1.354 7.085 -1.149 155 HD21 LEU 18 HD21 LEU 18 4.214 7.453 0.968 156 HD22 LEU 18 HD22 LEU 18 5.156 6.076 0.400 157 HD23 LEU 18 HD23 LEU 18 3.839 5.830 1.547 158 H ALA 19 HN ALA 19 3.184 2.049 0.676 159 HA ALA 19 HA ALA 19 5.476 2.480 2.369 160 HB1 ALA 19 HB1 ALA 19 4.659 0.496 3.482 161 HB2 ALA 19 HB2 ALA 19 3.801 -0.026 2.033 162 HB3 ALA 19 HB3 ALA 19 3.248 1.394 2.921 163 H ALA 20 HN ALA 20 4.852 0.300 -0.374 164 HA ALA 20 HA ALA 20 7.136 -1.398 -0.117 165 HB1 ALA 20 HB1 ALA 20 5.592 -0.400 -2.533 166 HB2 ALA 20 HB2 ALA 20 5.239 -1.849 -1.594 167 HB3 ALA 20 HB3 ALA 20 6.710 -1.763 -2.562 168 H GLY 21 HN GLY 21 6.718 1.730 -1.804 169 HA2 GLY 21 HA2 GLY 21 9.375 1.814 -2.914 170 HA3 GLY 21 HA3 GLY 21 8.305 3.203 -2.717 171 H VAL 22 HN VAL 22 7.943 3.268 0.029 172 HA VAL 22 HA VAL 22 10.350 4.535 0.967 173 HB VAL 22 HB VAL 22 7.867 3.484 2.373 174 HG11 VAL 22 HG11 VAL 22 10.198 5.128 3.355 175 HG12 VAL 22 HG12 VAL 22 9.417 3.748 4.128 176 HG13 VAL 22 HG13 VAL 22 8.599 5.310 4.078 177 HG21 VAL 22 HG21 VAL 22 7.623 5.280 0.590 178 HG22 VAL 22 HG22 VAL 22 8.616 6.320 1.609 179 HG23 VAL 22 HG23 VAL 22 7.055 5.745 2.194 180 H GLY 23 HN GLY 23 8.989 1.278 1.482 181 HA2 GLY 23 HA2 GLY 23 10.825 0.405 3.487 182 HA3 GLY 23 HA3 GLY 23 9.942 -0.660 2.394 183 H ILE 24 HN ILE 24 10.947 0.091 -0.084 184 HA ILE 24 HA ILE 24 13.483 -1.276 -0.165 185 HB ILE 24 HB ILE 24 11.856 0.399 -2.100 186 HG12 ILE 24 HG12 ILE 24 12.597 -2.538 -2.171 187 HG13 ILE 24 HG13 ILE 24 11.155 -1.940 -1.352 188 HG21 ILE 24 HG21 ILE 24 14.587 -0.828 -2.465 189 HG22 ILE 24 HG22 ILE 24 14.016 0.762 -2.968 190 HG23 ILE 24 HG23 ILE 24 13.482 -0.679 -3.831 191 HD11 ILE 24 HD11 ILE 24 10.263 -1.051 -3.407 192 HD12 ILE 24 HD12 ILE 24 10.764 -2.712 -3.730 193 HD13 ILE 24 HD13 ILE 24 11.773 -1.367 -4.262 194 H TYR 25 HN TYR 25 12.609 2.192 -0.105 195 HA TYR 25 HA TYR 25 15.239 3.213 -0.685 196 HB2 TYR 25 HB2 TYR 25 12.901 4.364 -0.590 197 HB3 TYR 25 HB3 TYR 25 13.236 4.547 1.134 198 HD1 TYR 25 HD2 TYR 25 15.081 5.952 1.925 199 HD2 TYR 25 HD1 TYR 25 14.248 5.528 -2.268 200 HE1 TYR 25 HE2 TYR 25 16.530 7.904 1.438 201 HE2 TYR 25 HE1 TYR 25 15.699 7.479 -2.754 202 HH TYR 25 HH TYR 25 17.920 8.587 -1.033 203 H LEU 26 HN LEU 26 13.739 1.937 2.230 204 HA LEU 26 HA LEU 26 15.809 2.911 4.061 205 HB2 LEU 26 HB2 LEU 26 13.305 1.359 4.096 206 HB3 LEU 26 HB3 LEU 26 14.503 0.757 5.238 207 HG LEU 26 HG LEU 26 13.080 2.458 6.303 208 HD11 LEU 26 HD11 LEU 26 15.702 3.850 5.856 209 HD12 LEU 26 HD12 LEU 26 15.690 2.263 6.626 210 HD13 LEU 26 HD13 LEU 26 14.809 3.605 7.358 211 HD21 LEU 26 HD21 LEU 26 13.260 4.830 5.486 212 HD22 LEU 26 HD22 LEU 26 12.429 3.758 4.358 213 HD23 LEU 26 HD23 LEU 26 14.102 4.226 4.058 214 H LEU 27 HN LEU 27 15.280 0.151 1.972 215 HA LEU 27 HA LEU 27 17.901 -1.014 2.840 216 HB2 LEU 27 HB2 LEU 27 15.593 -2.074 3.589 217 HB3 LEU 27 HB3 LEU 27 15.577 -2.697 1.938 218 HG LEU 27 HG LEU 27 18.015 -3.472 2.460 219 HD11 LEU 27 HD11 LEU 27 18.474 -3.900 4.808 220 HD12 LEU 27 HD12 LEU 27 16.890 -3.280 5.271 221 HD13 LEU 27 HD13 LEU 27 18.108 -2.185 4.617 222 HD21 LEU 27 HD21 LEU 27 15.650 -4.792 3.834 223 HD22 LEU 27 HD22 LEU 27 17.157 -5.587 3.378 224 HD23 LEU 27 HD23 LEU 27 16.069 -4.979 2.132 225 HA PRO 28 HA PRO 28 17.446 -0.745 -1.800 226 HB2 PRO 28 HB2 PRO 28 18.722 1.618 -2.352 227 HB3 PRO 28 HB3 PRO 28 16.984 1.495 -2.026 228 HG2 PRO 28 HG2 PRO 28 19.076 2.660 -0.383 229 HG3 PRO 28 HG3 PRO 28 17.326 2.799 -0.238 230 HD2 PRO 28 HD2 PRO 28 19.136 1.100 1.261 231 HD3 PRO 28 HD3 PRO 28 17.415 1.406 1.530 232 H ASN 29 HN ASN 29 20.154 -0.178 0.359 233 HA ASN 29 HA ASN 29 22.303 -0.516 -1.534 234 HB2 ASN 29 HB2 ASN 29 21.876 -0.573 1.417 235 HB3 ASN 29 HB3 ASN 29 23.347 -1.341 0.817 236 HD21 ASN 29 HD21 ASN 29 24.923 0.028 -0.317 237 HD22 ASN 29 HD22 ASN 29 24.856 1.720 -0.194 238 H ARG 30 HN ARG 30 20.341 -2.790 0.358 239 HA ARG 30 HA ARG 30 20.225 -5.139 0.353 240 HB2 ARG 30 HB2 ARG 30 21.010 -4.361 -2.463 241 HB3 ARG 30 HB3 ARG 30 20.688 -6.041 -2.036 242 HG2 ARG 30 HG2 ARG 30 18.443 -5.452 -1.263 243 HG3 ARG 30 HG3 ARG 30 18.758 -3.745 -1.581 244 HD2 ARG 30 HD2 ARG 30 18.381 -3.978 -3.821 245 HD3 ARG 30 HD3 ARG 30 19.260 -5.518 -3.896 246 HE ARG 30 HE ARG 30 17.188 -6.521 -2.754 247 HH11 ARG 30 HH21 ARG 30 15.756 -3.863 -2.508 248 HH12 ARG 30 HH22 ARG 30 14.675 -3.921 -3.859 249 HH21 ARG 30 HH11 ARG 30 16.372 -6.518 -5.436 250 HH22 ARG 30 HH12 ARG 30 15.026 -5.433 -5.527 Start of MODEL 36 1 HA HIS 1 HA HIS 1 -14.885 4.852 17.332 2 HB2 HIS 1 HB2 HIS 1 -14.430 4.653 19.828 3 HB3 HIS 1 HB3 HIS 1 -13.396 3.275 19.452 4 HD1 HIS 1 HD1 HIS 1 -13.620 7.007 19.059 5 HD2 HIS 1 HD2 HIS 1 -10.936 3.937 18.195 6 HE1 HIS 1 HE1 HIS 1 -11.439 8.121 18.414 7 H SER 2 HN SER 2 -13.641 4.480 15.526 8 HA SER 2 HA SER 2 -12.012 2.042 15.250 9 HB2 SER 2 HB2 SER 2 -13.289 1.407 13.141 10 HB3 SER 2 HB3 SER 2 -14.174 1.169 14.643 11 HG SER 2 HG SER 2 -14.569 2.989 12.584 12 H VAL 3 HN VAL 3 -10.885 4.462 15.271 13 HA VAL 3 HA VAL 3 -10.350 5.084 12.384 14 HB VAL 3 HB VAL 3 -10.141 7.473 13.136 15 HG11 VAL 3 HG11 VAL 3 -12.300 6.289 12.257 16 HG12 VAL 3 HG12 VAL 3 -12.438 7.895 12.971 17 HG13 VAL 3 HG13 VAL 3 -12.867 6.470 13.916 18 HG21 VAL 3 HG21 VAL 3 -9.819 6.671 15.607 19 HG22 VAL 3 HG22 VAL 3 -11.582 6.661 15.653 20 HG23 VAL 3 HG23 VAL 3 -10.718 8.158 15.306 21 H SER 4 HN SER 4 -8.807 3.293 13.962 22 HA SER 4 HA SER 4 -6.300 4.872 14.416 23 HB2 SER 4 HB2 SER 4 -7.536 2.519 15.838 24 HB3 SER 4 HB3 SER 4 -5.820 2.882 16.004 25 HG SER 4 HG SER 4 -8.071 4.358 16.815 26 H HIS 5 HN HIS 5 -6.629 1.374 14.359 27 HA HIS 5 HA HIS 5 -5.155 1.278 11.751 28 HB2 HIS 5 HB2 HIS 5 -4.268 0.630 14.401 29 HB3 HIS 5 HB3 HIS 5 -4.349 -0.863 13.469 30 HD1 HIS 5 HD1 HIS 5 -2.521 2.384 13.701 31 HD2 HIS 5 HD2 HIS 5 -2.616 -0.931 11.175 32 HE1 HIS 5 HE1 HIS 5 -0.483 2.563 12.208 33 H ALA 6 HN ALA 6 -7.966 0.907 12.067 34 HA ALA 6 HA ALA 6 -8.269 -2.056 11.690 35 HB1 ALA 6 HB1 ALA 6 -10.556 -1.708 12.528 36 HB2 ALA 6 HB2 ALA 6 -10.285 0.034 12.590 37 HB3 ALA 6 HB3 ALA 6 -9.396 -1.037 13.674 38 H ARG 7 HN ARG 7 -7.414 -0.848 9.452 39 HA ARG 7 HA ARG 7 -9.495 0.378 7.838 40 HB2 ARG 7 HB2 ARG 7 -7.808 0.224 6.075 41 HB3 ARG 7 HB3 ARG 7 -7.021 0.700 7.577 42 HG2 ARG 7 HG2 ARG 7 -6.390 -1.692 7.959 43 HG3 ARG 7 HG3 ARG 7 -7.090 -2.093 6.391 44 HD2 ARG 7 HD2 ARG 7 -4.834 -1.779 5.820 45 HD3 ARG 7 HD3 ARG 7 -5.486 -0.154 5.532 46 HE ARG 7 HE ARG 7 -4.829 0.194 8.062 47 HH11 ARG 7 HH11 ARG 7 -2.703 0.739 5.986 48 HH12 ARG 7 HH12 ARG 7 -1.364 -0.167 6.604 49 HH21 ARG 7 HH21 ARG 7 -3.308 -2.063 8.773 50 HH22 ARG 7 HH22 ARG 7 -1.708 -1.756 8.190 51 HA PRO 8 HA PRO 8 -11.311 -3.513 6.630 52 HB2 PRO 8 HB2 PRO 8 -13.386 -2.446 5.209 53 HB3 PRO 8 HB3 PRO 8 -13.339 -2.468 6.981 54 HG2 PRO 8 HG2 PRO 8 -12.992 -0.220 5.133 55 HG3 PRO 8 HG3 PRO 8 -13.460 -0.221 6.837 56 HD2 PRO 8 HD2 PRO 8 -10.899 0.374 5.726 57 HD3 PRO 8 HD3 PRO 8 -11.360 0.314 7.441 58 H ARG 9 HN ARG 9 -9.089 -2.290 4.960 59 HA ARG 9 HA ARG 9 -8.131 -2.605 2.849 60 HB2 ARG 9 HB2 ARG 9 -9.996 -4.763 3.372 61 HB3 ARG 9 HB3 ARG 9 -9.933 -4.418 1.644 62 HG2 ARG 9 HG2 ARG 9 -7.473 -4.585 1.692 63 HG3 ARG 9 HG3 ARG 9 -7.529 -4.920 3.424 64 HD2 ARG 9 HD2 ARG 9 -8.972 -6.934 2.913 65 HD3 ARG 9 HD3 ARG 9 -8.648 -6.647 1.191 66 HE ARG 9 HE ARG 9 -6.229 -6.939 1.686 67 HH11 ARG 9 HH21 ARG 9 -7.755 -9.468 2.523 68 HH12 ARG 9 HH22 ARG 9 -7.014 -9.807 4.050 69 HH21 ARG 9 HH11 ARG 9 -5.581 -6.654 4.348 70 HH22 ARG 9 HH12 ARG 9 -5.775 -8.208 5.087 71 H TRP 10 HN TRP 10 -8.918 -2.713 0.374 72 HA TRP 10 HA TRP 10 -10.001 -1.637 -1.427 73 HB2 TRP 10 HB2 TRP 10 -11.995 -2.373 0.176 74 HB3 TRP 10 HB3 TRP 10 -12.129 -0.635 0.440 75 HD1 TRP 10 HD1 TRP 10 -12.389 -3.283 -2.311 76 HE1 TRP 10 HE1 TRP 10 -13.660 -2.270 -4.313 77 HE3 TRP 10 HE3 TRP 10 -12.770 1.565 -0.753 78 HZ2 TRP 10 HZ2 TRP 10 -14.701 0.263 -5.143 79 HZ3 TRP 10 HZ3 TRP 10 -13.904 3.255 -2.166 80 HH2 TRP 10 HH2 TRP 10 -14.870 2.611 -4.357 81 H PHE 11 HN PHE 11 -9.516 0.343 -2.301 82 HA PHE 11 HA PHE 11 -8.894 2.613 -2.445 83 HB2 PHE 11 HB2 PHE 11 -11.104 2.504 -0.878 84 HB3 PHE 11 HB3 PHE 11 -9.958 3.194 0.272 85 HD1 PHE 11 HD1 PHE 11 -11.458 3.638 -3.107 86 HD2 PHE 11 HD2 PHE 11 -9.205 5.450 0.071 87 HE1 PHE 11 HE1 PHE 11 -11.685 5.849 -4.205 88 HE2 PHE 11 HE2 PHE 11 -9.433 7.661 -1.028 89 HZ PHE 11 HZ PHE 11 -10.672 7.859 -3.167 90 H TRP 12 HN TRP 12 -7.426 0.448 -0.567 91 HA TRP 12 HA TRP 12 -5.511 2.433 0.611 92 HB2 TRP 12 HB2 TRP 12 -6.600 -0.194 1.660 93 HB3 TRP 12 HB3 TRP 12 -5.190 0.594 2.362 94 HD1 TRP 12 HD1 TRP 12 -8.674 0.320 3.011 95 HE1 TRP 12 HE1 TRP 12 -9.624 2.371 4.248 96 HE3 TRP 12 HE3 TRP 12 -4.882 3.651 2.237 97 HZ2 TRP 12 HZ2 TRP 12 -8.873 5.068 4.837 98 HZ3 TRP 12 HZ3 TRP 12 -5.025 5.952 3.147 99 HH2 TRP 12 HH2 TRP 12 -7.014 6.664 4.446 100 H PHE 13 HN PHE 13 -5.747 0.508 -1.937 101 HA PHE 13 HA PHE 13 -3.526 -1.320 -1.712 102 HB2 PHE 13 HB2 PHE 13 -5.211 -1.714 -3.364 103 HB3 PHE 13 HB3 PHE 13 -5.088 -0.067 -3.980 104 HD1 PHE 13 HD2 PHE 13 -3.085 -3.204 -3.553 105 HD2 PHE 13 HD1 PHE 13 -3.674 0.412 -5.795 106 HE1 PHE 13 HE2 PHE 13 -1.375 -3.941 -5.191 107 HE2 PHE 13 HE1 PHE 13 -1.964 -0.325 -7.434 108 HZ PHE 13 HZ PHE 13 -0.814 -2.501 -7.131 109 H SER 14 HN SER 14 -3.883 1.966 -2.963 110 HA SER 14 HA SER 14 -1.201 2.313 -3.923 111 HB2 SER 14 HB2 SER 14 -3.319 3.712 -4.332 112 HB3 SER 14 HB3 SER 14 -3.012 4.439 -2.757 113 HG SER 14 HG SER 14 -1.020 5.152 -3.525 114 H LEU 15 HN LEU 15 -2.708 2.708 -0.778 115 HA LEU 15 HA LEU 15 -0.495 4.007 0.561 116 HB2 LEU 15 HB2 LEU 15 -2.886 3.984 1.297 117 HB3 LEU 15 HB3 LEU 15 -2.743 2.257 1.626 118 HG LEU 15 HG LEU 15 -0.580 3.722 2.891 119 HD11 LEU 15 HD11 LEU 15 -1.800 5.082 4.423 120 HD12 LEU 15 HD12 LEU 15 -3.347 4.419 3.895 121 HD13 LEU 15 HD13 LEU 15 -2.436 5.490 2.829 122 HD21 LEU 15 HD21 LEU 15 -2.881 2.033 3.927 123 HD22 LEU 15 HD22 LEU 15 -1.486 2.528 4.885 124 HD23 LEU 15 HD23 LEU 15 -1.271 1.453 3.503 125 H LEU 16 HN LEU 16 -1.531 0.601 0.218 126 HA LEU 16 HA LEU 16 0.517 -0.536 1.890 127 HB2 LEU 16 HB2 LEU 16 -1.740 -1.454 0.872 128 HB3 LEU 16 HB3 LEU 16 -0.706 -1.935 -0.474 129 HG LEU 16 HG LEU 16 0.221 -2.609 2.286 130 HD11 LEU 16 HD11 LEU 16 -2.055 -3.319 2.495 131 HD12 LEU 16 HD12 LEU 16 -1.131 -4.765 2.087 132 HD13 LEU 16 HD13 LEU 16 -2.083 -3.946 0.848 133 HD21 LEU 16 HD21 LEU 16 0.497 -3.610 -0.517 134 HD22 LEU 16 HD22 LEU 16 0.637 -4.792 0.784 135 HD23 LEU 16 HD23 LEU 16 1.728 -3.408 0.728 136 H LEU 17 HN LEU 17 0.327 0.183 -1.553 137 HA LEU 17 HA LEU 17 2.777 -1.044 -2.384 138 HB2 LEU 17 HB2 LEU 17 0.722 0.040 -3.657 139 HB3 LEU 17 HB3 LEU 17 1.714 1.495 -3.586 140 HG LEU 17 HG LEU 17 3.606 -0.125 -4.473 141 HD11 LEU 17 HD11 LEU 17 2.735 -1.882 -5.926 142 HD12 LEU 17 HD12 LEU 17 1.078 -1.447 -5.507 143 HD13 LEU 17 HD13 LEU 17 2.142 -2.144 -4.285 144 HD21 LEU 17 HD21 LEU 17 1.337 0.920 -6.200 145 HD22 LEU 17 HD22 LEU 17 2.938 0.476 -6.792 146 HD23 LEU 17 HD23 LEU 17 2.753 1.836 -5.684 147 H LEU 18 HN LEU 18 2.026 2.026 -0.894 148 HA LEU 18 HA LEU 18 4.644 3.235 -1.270 149 HB2 LEU 18 HB2 LEU 18 2.281 4.274 -0.850 150 HB3 LEU 18 HB3 LEU 18 2.629 3.959 0.850 151 HG LEU 18 HG LEU 18 4.896 5.164 0.352 152 HD11 LEU 18 HD11 LEU 18 4.954 6.640 -1.485 153 HD12 LEU 18 HD12 LEU 18 3.213 6.530 -1.745 154 HD13 LEU 18 HD13 LEU 18 4.254 5.172 -2.169 155 HD21 LEU 18 HD21 LEU 18 3.827 7.348 0.852 156 HD22 LEU 18 HD22 LEU 18 3.139 6.053 1.831 157 HD23 LEU 18 HD23 LEU 18 2.257 6.665 0.431 158 H ALA 19 HN ALA 19 3.046 1.370 1.258 159 HA ALA 19 HA ALA 19 4.919 1.715 3.381 160 HB1 ALA 19 HB1 ALA 19 3.816 -0.198 4.308 161 HB2 ALA 19 HB2 ALA 19 3.416 -0.829 2.709 162 HB3 ALA 19 HB3 ALA 19 2.596 0.608 3.322 163 H ALA 20 HN ALA 20 4.795 -0.751 0.782 164 HA ALA 20 HA ALA 20 7.203 -2.137 1.563 165 HB1 ALA 20 HB1 ALA 20 5.253 -2.828 0.008 166 HB2 ALA 20 HB2 ALA 20 6.879 -3.285 -0.498 167 HB3 ALA 20 HB3 ALA 20 6.083 -1.895 -1.238 168 H GLY 21 HN GLY 21 6.555 0.590 -0.641 169 HA2 GLY 21 HA2 GLY 21 9.159 0.785 -1.799 170 HA3 GLY 21 HA3 GLY 21 8.007 2.114 -1.675 171 H VAL 22 HN VAL 22 7.785 2.158 1.188 172 HA VAL 22 HA VAL 22 9.962 3.862 1.913 173 HB VAL 22 HB VAL 22 7.969 2.259 3.558 174 HG11 VAL 22 HG11 VAL 22 8.440 4.000 5.318 175 HG12 VAL 22 HG12 VAL 22 9.805 4.543 4.342 176 HG13 VAL 22 HG13 VAL 22 9.794 2.911 5.014 177 HG21 VAL 22 HG21 VAL 22 7.561 4.363 1.790 178 HG22 VAL 22 HG22 VAL 22 7.661 5.169 3.356 179 HG23 VAL 22 HG23 VAL 22 6.470 3.894 3.094 180 H GLY 23 HN GLY 23 9.349 0.413 2.665 181 HA2 GLY 23 HA2 GLY 23 11.689 -0.008 4.256 182 HA3 GLY 23 HA3 GLY 23 10.800 -1.275 3.411 183 H ILE 24 HN ILE 24 11.102 -0.346 0.753 184 HA ILE 24 HA ILE 24 13.725 -1.361 0.087 185 HB ILE 24 HB ILE 24 11.595 0.160 -1.463 186 HG12 ILE 24 HG12 ILE 24 12.282 -2.742 -1.811 187 HG13 ILE 24 HG13 ILE 24 11.304 -2.263 -0.423 188 HG21 ILE 24 HG21 ILE 24 14.183 -1.121 -2.352 189 HG22 ILE 24 HG22 ILE 24 13.565 0.485 -2.738 190 HG23 ILE 24 HG23 ILE 24 12.820 -0.943 -3.457 191 HD11 ILE 24 HD11 ILE 24 10.684 -1.852 -3.355 192 HD12 ILE 24 HD12 ILE 24 9.815 -1.008 -2.073 193 HD13 ILE 24 HD13 ILE 24 9.753 -2.768 -2.170 194 H TYR 25 HN TYR 25 12.394 1.942 0.421 195 HA TYR 25 HA TYR 25 14.623 3.363 -0.697 196 HB2 TYR 25 HB2 TYR 25 12.229 4.115 0.048 197 HB3 TYR 25 HB3 TYR 25 12.977 4.349 1.629 198 HD1 TYR 25 HD1 TYR 25 14.760 6.012 1.954 199 HD2 TYR 25 HD2 TYR 25 12.840 5.509 -1.855 200 HE1 TYR 25 HE1 TYR 25 15.705 8.174 1.193 201 HE2 TYR 25 HE2 TYR 25 13.785 7.672 -2.616 202 HH TYR 25 HH TYR 25 14.702 9.959 -0.968 203 H LEU 26 HN LEU 26 14.102 1.838 2.431 204 HA LEU 26 HA LEU 26 16.423 3.095 3.718 205 HB2 LEU 26 HB2 LEU 26 14.505 0.839 4.366 206 HB3 LEU 26 HB3 LEU 26 15.846 1.259 5.431 207 HG LEU 26 HG LEU 26 14.122 3.507 4.515 208 HD11 LEU 26 HD11 LEU 26 12.357 3.037 6.075 209 HD12 LEU 26 HD12 LEU 26 13.216 1.638 6.720 210 HD13 LEU 26 HD13 LEU 26 12.554 1.591 5.086 211 HD21 LEU 26 HD21 LEU 26 14.575 4.296 6.780 212 HD22 LEU 26 HD22 LEU 26 16.085 3.753 6.050 213 HD23 LEU 26 HD23 LEU 26 15.256 2.730 7.222 214 H LEU 27 HN LEU 27 15.832 0.411 1.602 215 HA LEU 27 HA LEU 27 18.664 -0.494 1.918 216 HB2 LEU 27 HB2 LEU 27 16.494 -1.794 2.967 217 HB3 LEU 27 HB3 LEU 27 16.587 -2.546 1.376 218 HG LEU 27 HG LEU 27 17.940 -3.886 2.831 219 HD11 LEU 27 HD11 LEU 27 19.920 -2.031 1.491 220 HD12 LEU 27 HD12 LEU 27 18.953 -3.204 0.598 221 HD13 LEU 27 HD13 LEU 27 20.104 -3.753 1.816 222 HD21 LEU 27 HD21 LEU 27 19.663 -2.951 4.291 223 HD22 LEU 27 HD22 LEU 27 18.116 -2.181 4.642 224 HD23 LEU 27 HD23 LEU 27 19.329 -1.329 3.688 225 HA PRO 28 HA PRO 28 17.203 -0.318 -2.538 226 HB2 PRO 28 HB2 PRO 28 17.736 2.262 -3.271 227 HB3 PRO 28 HB3 PRO 28 16.191 1.757 -2.562 228 HG2 PRO 28 HG2 PRO 28 18.302 3.385 -1.398 229 HG3 PRO 28 HG3 PRO 28 16.636 3.154 -0.863 230 HD2 PRO 28 HD2 PRO 28 19.055 1.913 0.147 231 HD3 PRO 28 HD3 PRO 28 17.413 1.849 0.801 232 H ASN 29 HN ASN 29 20.071 0.772 -0.907 233 HA ASN 29 HA ASN 29 21.824 1.111 -3.173 234 HB2 ASN 29 HB2 ASN 29 22.473 0.276 -0.326 235 HB3 ASN 29 HB3 ASN 29 23.551 1.095 -1.457 236 HD21 ASN 29 HD21 ASN 29 22.655 3.323 -2.264 237 HD22 ASN 29 HD22 ASN 29 21.838 4.269 -1.117 238 H ARG 30 HN ARG 30 21.013 -1.692 -1.121 239 HA ARG 30 HA ARG 30 22.554 -3.432 -3.026 240 HB2 ARG 30 HB2 ARG 30 22.172 -3.465 -0.029 241 HB3 ARG 30 HB3 ARG 30 22.673 -4.916 -0.897 242 HG2 ARG 30 HG2 ARG 30 24.555 -3.569 -1.902 243 HG3 ARG 30 HG3 ARG 30 24.110 -2.250 -0.819 244 HD2 ARG 30 HD2 ARG 30 25.021 -3.280 1.006 245 HD3 ARG 30 HD3 ARG 30 24.431 -4.878 0.511 246 HE ARG 30 HE ARG 30 26.293 -4.779 -1.264 247 HH11 ARG 30 HH11 ARG 30 27.412 -2.132 -0.744 248 HH12 ARG 30 HH12 ARG 30 28.693 -2.443 0.380 249 HH21 ARG 30 HH21 ARG 30 27.511 -5.593 1.254 250 HH22 ARG 30 HH22 ARG 30 28.748 -4.411 1.516 Start of MODEL 37 1 HA HIS 1 HA HIS 1 -20.836 12.810 9.661 2 HB2 HIS 1 HB2 HIS 1 -20.860 11.216 12.229 3 HB3 HIS 1 HB3 HIS 1 -19.509 11.101 11.102 4 HD1 HIS 1 HD1 HIS 1 -20.693 13.069 13.893 5 HD2 HIS 1 HD2 HIS 1 -18.406 13.854 10.496 6 HE1 HIS 1 HE1 HIS 1 -19.478 15.247 14.333 7 H SER 2 HN SER 2 -20.154 11.269 8.110 8 HA SER 2 HA SER 2 -21.859 8.804 7.888 9 HB2 SER 2 HB2 SER 2 -20.562 10.576 5.790 10 HB3 SER 2 HB3 SER 2 -21.462 9.106 5.433 11 HG SER 2 HG SER 2 -22.892 10.787 5.285 12 H VAL 3 HN VAL 3 -19.654 8.487 9.472 13 HA VAL 3 HA VAL 3 -17.534 7.311 7.707 14 HB VAL 3 HB VAL 3 -17.394 8.025 10.655 15 HG11 VAL 3 HG11 VAL 3 -15.626 6.529 9.957 16 HG12 VAL 3 HG12 VAL 3 -14.934 8.145 10.099 17 HG13 VAL 3 HG13 VAL 3 -15.321 7.488 8.509 18 HG21 VAL 3 HG21 VAL 3 -17.888 10.093 9.565 19 HG22 VAL 3 HG22 VAL 3 -16.858 9.697 8.188 20 HG23 VAL 3 HG23 VAL 3 -16.134 10.073 9.753 21 H SER 4 HN SER 4 -19.800 5.747 7.934 22 HA SER 4 HA SER 4 -19.464 3.848 10.169 23 HB2 SER 4 HB2 SER 4 -21.535 4.724 8.425 24 HB3 SER 4 HB3 SER 4 -21.318 2.998 8.145 25 HG SER 4 HG SER 4 -21.907 2.585 10.161 26 H HIS 5 HN HIS 5 -18.746 4.066 6.752 27 HA HIS 5 HA HIS 5 -17.457 1.360 6.887 28 HB2 HIS 5 HB2 HIS 5 -19.327 2.633 4.926 29 HB3 HIS 5 HB3 HIS 5 -18.096 1.539 4.296 30 HD1 HIS 5 HD1 HIS 5 -21.448 1.415 5.370 31 HD2 HIS 5 HD2 HIS 5 -18.130 -0.984 6.156 32 HE1 HIS 5 HE1 HIS 5 -22.347 -0.809 6.183 33 H ALA 6 HN ALA 6 -16.057 3.758 7.477 34 HA ALA 6 HA ALA 6 -14.576 4.501 5.006 35 HB1 ALA 6 HB1 ALA 6 -13.752 6.310 6.371 36 HB2 ALA 6 HB2 ALA 6 -14.260 5.499 7.852 37 HB3 ALA 6 HB3 ALA 6 -15.469 6.140 6.737 38 H ARG 7 HN ARG 7 -14.185 1.799 5.887 39 HA ARG 7 HA ARG 7 -11.696 1.662 7.445 40 HB2 ARG 7 HB2 ARG 7 -13.407 -0.342 5.941 41 HB3 ARG 7 HB3 ARG 7 -11.980 -0.795 6.874 42 HG2 ARG 7 HG2 ARG 7 -14.119 0.874 8.167 43 HG3 ARG 7 HG3 ARG 7 -14.355 -0.866 8.009 44 HD2 ARG 7 HD2 ARG 7 -11.678 -0.384 8.963 45 HD3 ARG 7 HD3 ARG 7 -12.832 0.485 9.994 46 HE ARG 7 HE ARG 7 -14.042 -1.653 10.316 47 HH11 ARG 7 HH21 ARG 7 -12.932 -3.062 7.882 48 HH12 ARG 7 HH22 ARG 7 -11.803 -4.165 8.596 49 HH21 ARG 7 HH11 ARG 7 -11.733 -2.515 11.657 50 HH22 ARG 7 HH12 ARG 7 -11.126 -3.857 10.746 51 HA PRO 8 HA PRO 8 -8.926 1.868 4.026 52 HB2 PRO 8 HB2 PRO 8 -6.879 0.294 4.940 53 HB3 PRO 8 HB3 PRO 8 -7.203 1.923 5.569 54 HG2 PRO 8 HG2 PRO 8 -7.900 -0.727 6.729 55 HG3 PRO 8 HG3 PRO 8 -7.352 0.750 7.536 56 HD2 PRO 8 HD2 PRO 8 -9.953 -0.062 7.488 57 HD3 PRO 8 HD3 PRO 8 -9.456 1.638 7.629 58 H ARG 9 HN ARG 9 -10.189 0.705 2.448 59 HA ARG 9 HA ARG 9 -9.173 -2.025 1.865 60 HB2 ARG 9 HB2 ARG 9 -11.464 -2.896 1.697 61 HB3 ARG 9 HB3 ARG 9 -11.205 -2.221 3.305 62 HG2 ARG 9 HG2 ARG 9 -12.136 -0.009 2.157 63 HG3 ARG 9 HG3 ARG 9 -12.878 -1.167 1.054 64 HD2 ARG 9 HD2 ARG 9 -13.864 -2.360 3.024 65 HD3 ARG 9 HD3 ARG 9 -13.211 -1.085 4.073 66 HE ARG 9 HE ARG 9 -14.524 0.504 2.459 67 HH11 ARG 9 HH11 ARG 9 -15.748 -1.859 0.989 68 HH12 ARG 9 HH12 ARG 9 -17.292 -1.984 1.764 69 HH21 ARG 9 HH21 ARG 9 -16.372 -0.011 4.481 70 HH22 ARG 9 HH22 ARG 9 -17.647 -0.932 3.751 71 H TRP 10 HN TRP 10 -9.629 -2.654 -0.373 72 HA TRP 10 HA TRP 10 -9.797 -2.268 -2.688 73 HB2 TRP 10 HB2 TRP 10 -11.825 -0.523 -1.386 74 HB3 TRP 10 HB3 TRP 10 -11.430 -0.127 -3.057 75 HD1 TRP 10 HD1 TRP 10 -12.361 -1.655 -4.911 76 HE1 TRP 10 HE1 TRP 10 -13.806 -3.791 -4.935 77 HE3 TRP 10 HE3 TRP 10 -12.311 -2.810 0.061 78 HZ2 TRP 10 HZ2 TRP 10 -14.808 -5.732 -3.086 79 HZ3 TRP 10 HZ3 TRP 10 -13.514 -4.804 0.904 80 HH2 TRP 10 HH2 TRP 10 -14.763 -6.265 -0.663 81 H PHE 11 HN PHE 11 -10.111 1.142 -1.677 82 HA PHE 11 HA PHE 11 -8.017 2.007 -3.495 83 HB2 PHE 11 HB2 PHE 11 -9.552 3.341 -1.243 84 HB3 PHE 11 HB3 PHE 11 -8.485 4.207 -2.347 85 HD1 PHE 11 HD2 PHE 11 -8.995 4.228 -4.813 86 HD2 PHE 11 HD1 PHE 11 -11.748 2.662 -1.910 87 HE1 PHE 11 HE2 PHE 11 -10.830 4.367 -6.477 88 HE2 PHE 11 HE1 PHE 11 -13.581 2.802 -3.574 89 HZ PHE 11 HZ PHE 11 -13.123 3.653 -5.857 90 H TRP 12 HN TRP 12 -7.861 0.626 -0.369 91 HA TRP 12 HA TRP 12 -5.628 2.143 0.691 92 HB2 TRP 12 HB2 TRP 12 -5.845 0.681 2.504 93 HB3 TRP 12 HB3 TRP 12 -7.464 0.645 1.818 94 HD1 TRP 12 HD1 TRP 12 -7.395 -1.384 -0.402 95 HE1 TRP 12 HE1 TRP 12 -6.773 -3.859 -0.030 96 HE3 TRP 12 HE3 TRP 12 -4.795 -0.994 3.978 97 HZ2 TRP 12 HZ2 TRP 12 -5.361 -5.458 1.870 98 HZ3 TRP 12 HZ3 TRP 12 -3.825 -3.010 5.046 99 HH2 TRP 12 HH2 TRP 12 -4.105 -5.239 3.998 100 H PHE 13 HN PHE 13 -5.780 -0.130 -1.815 101 HA PHE 13 HA PHE 13 -3.396 -1.653 -1.437 102 HB2 PHE 13 HB2 PHE 13 -5.432 -1.475 -3.282 103 HB3 PHE 13 HB3 PHE 13 -4.058 -0.847 -4.194 104 HD1 PHE 13 HD2 PHE 13 -1.773 -2.260 -3.703 105 HD2 PHE 13 HD1 PHE 13 -5.788 -3.766 -3.431 106 HE1 PHE 13 HE2 PHE 13 -0.931 -4.571 -4.025 107 HE2 PHE 13 HE1 PHE 13 -4.945 -6.075 -3.753 108 HZ PHE 13 HZ PHE 13 -2.515 -6.477 -4.050 109 H SER 14 HN SER 14 -3.947 1.524 -2.872 110 HA SER 14 HA SER 14 -1.295 1.994 -3.859 111 HB2 SER 14 HB2 SER 14 -3.544 3.786 -2.911 112 HB3 SER 14 HB3 SER 14 -2.071 4.419 -3.642 113 HG SER 14 HG SER 14 -4.217 3.487 -4.857 114 H LEU 15 HN LEU 15 -2.840 2.568 -0.746 115 HA LEU 15 HA LEU 15 -0.712 3.993 0.548 116 HB2 LEU 15 HB2 LEU 15 -3.079 3.810 1.312 117 HB3 LEU 15 HB3 LEU 15 -2.817 2.102 1.661 118 HG LEU 15 HG LEU 15 -0.763 3.743 2.902 119 HD11 LEU 15 HD11 LEU 15 -2.417 5.491 3.034 120 HD12 LEU 15 HD12 LEU 15 -2.338 4.727 4.622 121 HD13 LEU 15 HD13 LEU 15 -3.666 4.347 3.525 122 HD21 LEU 15 HD21 LEU 15 -2.899 1.838 3.911 123 HD22 LEU 15 HD22 LEU 15 -1.616 2.504 4.922 124 HD23 LEU 15 HD23 LEU 15 -1.213 1.450 3.567 125 H LEU 16 HN LEU 16 -1.491 0.511 0.338 126 HA LEU 16 HA LEU 16 0.657 -0.422 2.001 127 HB2 LEU 16 HB2 LEU 16 -1.531 -1.534 1.016 128 HB3 LEU 16 HB3 LEU 16 -0.466 -1.972 -0.319 129 HG LEU 16 HG LEU 16 0.548 -2.496 2.434 130 HD11 LEU 16 HD11 LEU 16 -0.753 -4.470 2.757 131 HD12 LEU 16 HD12 LEU 16 -1.433 -4.376 1.133 132 HD13 LEU 16 HD13 LEU 16 -1.914 -3.203 2.359 133 HD21 LEU 16 HD21 LEU 16 1.962 -3.110 0.599 134 HD22 LEU 16 HD22 LEU 16 0.625 -3.873 -0.263 135 HD23 LEU 16 HD23 LEU 16 1.270 -4.616 1.201 136 H LEU 17 HN LEU 17 0.414 0.264 -1.447 137 HA LEU 17 HA LEU 17 2.953 -0.815 -2.247 138 HB2 LEU 17 HB2 LEU 17 0.880 0.023 -3.605 139 HB3 LEU 17 HB3 LEU 17 1.644 1.608 -3.473 140 HG LEU 17 HG LEU 17 3.783 0.401 -4.334 141 HD11 LEU 17 HD11 LEU 17 3.152 -1.883 -4.207 142 HD12 LEU 17 HD12 LEU 17 3.066 -1.496 -5.926 143 HD13 LEU 17 HD13 LEU 17 1.589 -1.579 -4.965 144 HD21 LEU 17 HD21 LEU 17 1.405 0.757 -6.186 145 HD22 LEU 17 HD22 LEU 17 3.104 0.805 -6.654 146 HD23 LEU 17 HD23 LEU 17 2.441 2.066 -5.614 147 H LEU 18 HN LEU 18 1.944 2.268 -0.911 148 HA LEU 18 HA LEU 18 4.425 3.691 -1.261 149 HB2 LEU 18 HB2 LEU 18 2.041 4.538 -0.751 150 HB3 LEU 18 HB3 LEU 18 2.377 4.101 0.924 151 HG LEU 18 HG LEU 18 4.517 5.673 -0.357 152 HD11 LEU 18 HD11 LEU 18 1.824 6.953 0.210 153 HD12 LEU 18 HD12 LEU 18 2.507 6.704 -1.397 154 HD13 LEU 18 HD13 LEU 18 3.297 7.798 -0.264 155 HD21 LEU 18 HD21 LEU 18 2.950 6.275 2.156 156 HD22 LEU 18 HD22 LEU 18 4.628 6.678 1.790 157 HD23 LEU 18 HD23 LEU 18 4.174 5.005 2.118 158 H ALA 19 HN ALA 19 3.089 1.681 1.320 159 HA ALA 19 HA ALA 19 5.174 2.109 3.263 160 HB1 ALA 19 HB1 ALA 19 3.093 1.183 3.968 161 HB2 ALA 19 HB2 ALA 19 4.236 -0.155 4.086 162 HB3 ALA 19 HB3 ALA 19 3.132 -0.056 2.713 163 H ALA 20 HN ALA 20 4.732 -0.274 0.648 164 HA ALA 20 HA ALA 20 7.017 -1.915 1.226 165 HB1 ALA 20 HB1 ALA 20 5.414 -2.800 -0.249 166 HB2 ALA 20 HB2 ALA 20 6.709 -2.333 -1.351 167 HB3 ALA 20 HB3 ALA 20 5.292 -1.298 -1.166 168 H GLY 21 HN GLY 21 6.604 1.011 -0.783 169 HA2 GLY 21 HA2 GLY 21 9.255 1.034 -1.888 170 HA3 GLY 21 HA3 GLY 21 8.189 2.435 -1.769 171 H VAL 22 HN VAL 22 7.875 2.391 1.098 172 HA VAL 22 HA VAL 22 10.116 3.952 1.940 173 HB VAL 22 HB VAL 22 7.990 2.411 3.474 174 HG11 VAL 22 HG11 VAL 22 9.808 2.918 4.997 175 HG12 VAL 22 HG12 VAL 22 8.499 4.060 5.304 176 HG13 VAL 22 HG13 VAL 22 9.916 4.569 4.385 177 HG21 VAL 22 HG21 VAL 22 7.752 4.589 1.764 178 HG22 VAL 22 HG22 VAL 22 7.847 5.338 3.357 179 HG23 VAL 22 HG23 VAL 22 6.597 4.140 3.019 180 H GLY 23 HN GLY 23 9.309 0.511 2.516 181 HA2 GLY 23 HA2 GLY 23 11.578 -0.079 4.171 182 HA3 GLY 23 HA3 GLY 23 10.642 -1.271 3.267 183 H ILE 24 HN ILE 24 11.049 -0.307 0.648 184 HA ILE 24 HA ILE 24 13.653 -1.407 0.026 185 HB ILE 24 HB ILE 24 11.583 0.176 -1.543 186 HG12 ILE 24 HG12 ILE 24 10.854 -2.041 -0.730 187 HG13 ILE 24 HG13 ILE 24 11.029 -2.043 -2.483 188 HG21 ILE 24 HG21 ILE 24 12.819 -0.894 -3.542 189 HG22 ILE 24 HG22 ILE 24 14.163 -1.125 -2.423 190 HG23 ILE 24 HG23 ILE 24 13.579 0.501 -2.776 191 HD11 ILE 24 HD11 ILE 24 12.090 -4.044 -1.785 192 HD12 ILE 24 HD12 ILE 24 12.872 -3.252 -0.418 193 HD13 ILE 24 HD13 ILE 24 13.421 -2.921 -2.061 194 H TYR 25 HN TYR 25 12.401 1.927 0.351 195 HA TYR 25 HA TYR 25 14.692 3.293 -0.704 196 HB2 TYR 25 HB2 TYR 25 12.330 4.143 -0.060 197 HB3 TYR 25 HB3 TYR 25 12.971 4.271 1.580 198 HD1 TYR 25 HD2 TYR 25 13.217 5.543 -1.875 199 HD2 TYR 25 HD1 TYR 25 14.707 5.889 2.140 200 HE1 TYR 25 HE2 TYR 25 14.300 7.694 -2.462 201 HE2 TYR 25 HE1 TYR 25 15.791 8.039 1.551 202 HH TYR 25 HH TYR 25 16.614 9.012 -1.115 203 H LEU 26 HN LEU 26 14.092 1.704 2.369 204 HA LEU 26 HA LEU 26 16.369 2.923 3.759 205 HB2 LEU 26 HB2 LEU 26 14.442 0.640 4.252 206 HB3 LEU 26 HB3 LEU 26 15.781 0.964 5.353 207 HG LEU 26 HG LEU 26 14.057 3.273 4.566 208 HD11 LEU 26 HD11 LEU 26 12.528 1.306 5.112 209 HD12 LEU 26 HD12 LEU 26 12.329 2.731 6.131 210 HD13 LEU 26 HD13 LEU 26 13.220 1.332 6.734 211 HD21 LEU 26 HD21 LEU 26 14.551 3.939 6.880 212 HD22 LEU 26 HD22 LEU 26 16.043 3.510 6.044 213 HD23 LEU 26 HD23 LEU 26 15.313 2.378 7.183 214 H LEU 27 HN LEU 27 15.772 0.181 1.660 215 HA LEU 27 HA LEU 27 18.648 -0.621 1.901 216 HB2 LEU 27 HB2 LEU 27 16.742 -2.036 3.052 217 HB3 LEU 27 HB3 LEU 27 16.425 -2.590 1.407 218 HG LEU 27 HG LEU 27 19.071 -2.925 1.392 219 HD11 LEU 27 HD11 LEU 27 19.251 -1.964 3.718 220 HD12 LEU 27 HD12 LEU 27 19.945 -3.577 3.551 221 HD13 LEU 27 HD13 LEU 27 18.365 -3.370 4.306 222 HD21 LEU 27 HD21 LEU 27 17.087 -4.791 2.731 223 HD22 LEU 27 HD22 LEU 27 18.676 -5.275 2.143 224 HD23 LEU 27 HD23 LEU 27 17.450 -4.714 1.007 225 HA PRO 28 HA PRO 28 17.204 -0.315 -2.531 226 HB2 PRO 28 HB2 PRO 28 17.904 2.249 -3.195 227 HB3 PRO 28 HB3 PRO 28 16.321 1.812 -2.526 228 HG2 PRO 28 HG2 PRO 28 18.492 3.294 -1.283 229 HG3 PRO 28 HG3 PRO 28 16.808 3.133 -0.782 230 HD2 PRO 28 HD2 PRO 28 19.138 1.745 0.239 231 HD3 PRO 28 HD3 PRO 28 17.480 1.738 0.854 232 H ASN 29 HN ASN 29 20.137 0.663 -0.892 233 HA ASN 29 HA ASN 29 21.811 0.469 -3.325 234 HB2 ASN 29 HB2 ASN 29 21.979 2.058 -1.224 235 HB3 ASN 29 HB3 ASN 29 22.808 0.683 -0.494 236 HD21 ASN 29 HD21 ASN 29 22.914 2.765 -3.436 237 HD22 ASN 29 HD22 ASN 29 24.591 2.623 -3.654 238 H ARG 30 HN ARG 30 21.144 -1.364 -0.345 239 HA ARG 30 HA ARG 30 23.007 -3.523 -1.218 240 HB2 ARG 30 HB2 ARG 30 22.834 -2.385 1.140 241 HB3 ARG 30 HB3 ARG 30 21.426 -3.428 1.347 242 HG2 ARG 30 HG2 ARG 30 23.103 -5.289 0.455 243 HG3 ARG 30 HG3 ARG 30 24.313 -4.171 1.083 244 HD2 ARG 30 HD2 ARG 30 23.920 -5.010 3.152 245 HD3 ARG 30 HD3 ARG 30 22.280 -4.336 3.064 246 HE ARG 30 HE ARG 30 21.525 -6.463 2.076 247 HH11 ARG 30 HH21 ARG 30 23.970 -7.551 0.891 248 HH12 ARG 30 HH22 ARG 30 24.487 -8.738 2.043 249 HH21 ARG 30 HH11 ARG 30 22.519 -7.474 4.617 250 HH22 ARG 30 HH12 ARG 30 23.663 -8.692 4.161 Start of MODEL 38 1 HA HIS 1 HA HIS 1 0.994 19.811 2.400 2 HB2 HIS 1 HB2 HIS 1 0.831 17.897 4.638 3 HB3 HIS 1 HB3 HIS 1 0.085 17.311 3.151 4 HD1 HIS 1 HD1 HIS 1 1.677 17.500 0.940 5 HD2 HIS 1 HD2 HIS 1 3.601 17.746 4.631 6 HE1 HIS 1 HE1 HIS 1 4.133 17.076 0.498 7 H SER 2 HN SER 2 -0.678 19.190 0.895 8 HA SER 2 HA SER 2 -3.466 19.655 1.906 9 HB2 SER 2 HB2 SER 2 -2.184 20.125 -0.807 10 HB3 SER 2 HB3 SER 2 -3.865 20.473 -0.411 11 HG SER 2 HG SER 2 -2.691 22.344 -0.128 12 H VAL 3 HN VAL 3 -2.438 17.040 2.124 13 HA VAL 3 HA VAL 3 -3.563 15.569 -0.228 14 HB VAL 3 HB VAL 3 -1.869 14.571 2.090 15 HG11 VAL 3 HG11 VAL 3 -2.398 12.577 1.167 16 HG12 VAL 3 HG12 VAL 3 -1.376 13.053 -0.189 17 HG13 VAL 3 HG13 VAL 3 -3.115 13.339 -0.253 18 HG21 VAL 3 HG21 VAL 3 -0.428 16.108 1.063 19 HG22 VAL 3 HG22 VAL 3 -1.136 15.856 -0.532 20 HG23 VAL 3 HG23 VAL 3 -0.077 14.630 0.165 21 H SER 4 HN SER 4 -5.477 16.736 1.434 22 HA SER 4 HA SER 4 -6.365 14.789 3.453 23 HB2 SER 4 HB2 SER 4 -6.556 17.472 3.200 24 HB3 SER 4 HB3 SER 4 -8.104 17.005 2.501 25 HG SER 4 HG SER 4 -8.722 16.178 4.391 26 H HIS 5 HN HIS 5 -7.190 15.715 0.172 27 HA HIS 5 HA HIS 5 -9.226 13.510 0.095 28 HB2 HIS 5 HB2 HIS 5 -9.285 16.359 -0.643 29 HB3 HIS 5 HB3 HIS 5 -9.884 15.298 -1.917 30 HD1 HIS 5 HD1 HIS 5 -10.308 15.426 1.887 31 HD2 HIS 5 HD2 HIS 5 -12.577 14.875 -1.566 32 HE1 HIS 5 HE1 HIS 5 -12.697 15.075 2.649 33 H ALA 6 HN ALA 6 -6.233 13.626 -0.637 34 HA ALA 6 HA ALA 6 -6.468 12.934 -3.546 35 HB1 ALA 6 HB1 ALA 6 -4.135 13.580 -3.677 36 HB2 ALA 6 HB2 ALA 6 -4.010 13.661 -1.920 37 HB3 ALA 6 HB3 ALA 6 -4.985 14.845 -2.791 38 H ARG 7 HN ARG 7 -7.325 10.959 -1.819 39 HA ARG 7 HA ARG 7 -5.161 8.924 -2.072 40 HB2 ARG 7 HB2 ARG 7 -5.840 8.163 0.282 41 HB3 ARG 7 HB3 ARG 7 -4.940 9.675 0.193 42 HG2 ARG 7 HG2 ARG 7 -6.717 10.928 0.885 43 HG3 ARG 7 HG3 ARG 7 -7.885 9.947 0.002 44 HD2 ARG 7 HD2 ARG 7 -8.324 8.653 1.820 45 HD3 ARG 7 HD3 ARG 7 -6.604 8.495 2.222 46 HE ARG 7 HE ARG 7 -7.363 11.186 2.750 47 HH11 ARG 7 HH21 ARG 7 -6.037 9.273 4.703 48 HH12 ARG 7 HH22 ARG 7 -7.234 9.172 5.950 49 HH21 ARG 7 HH11 ARG 7 -9.769 10.517 3.985 50 HH22 ARG 7 HH12 ARG 7 -9.359 9.875 5.542 51 HA PRO 8 HA PRO 8 -8.736 6.802 -3.670 52 HB2 PRO 8 HB2 PRO 8 -7.498 4.411 -4.178 53 HB3 PRO 8 HB3 PRO 8 -7.320 5.838 -5.219 54 HG2 PRO 8 HG2 PRO 8 -5.465 4.755 -3.162 55 HG3 PRO 8 HG3 PRO 8 -5.108 5.494 -4.730 56 HD2 PRO 8 HD2 PRO 8 -4.864 6.803 -2.343 57 HD3 PRO 8 HD3 PRO 8 -5.178 7.618 -3.891 58 H ARG 9 HN ARG 9 -6.580 5.104 -1.350 59 HA ARG 9 HA ARG 9 -7.072 3.729 0.516 60 HB2 ARG 9 HB2 ARG 9 -8.649 5.993 0.565 61 HB3 ARG 9 HB3 ARG 9 -9.856 4.712 0.683 62 HG2 ARG 9 HG2 ARG 9 -8.015 3.759 2.420 63 HG3 ARG 9 HG3 ARG 9 -7.727 5.489 2.600 64 HD2 ARG 9 HD2 ARG 9 -9.455 5.338 4.114 65 HD3 ARG 9 HD3 ARG 9 -10.467 5.421 2.658 66 HE ARG 9 HE ARG 9 -9.514 2.784 3.714 67 HH11 ARG 9 HH11 ARG 9 -12.032 3.767 4.974 68 HH12 ARG 9 HH12 ARG 9 -13.253 3.098 3.944 69 HH21 ARG 9 HH21 ARG 9 -11.043 2.415 1.343 70 HH22 ARG 9 HH22 ARG 9 -12.690 2.330 1.876 71 H TRP 10 HN TRP 10 -7.916 2.853 -2.339 72 HA TRP 10 HA TRP 10 -10.323 1.240 -2.046 73 HB2 TRP 10 HB2 TRP 10 -9.285 1.933 -4.224 74 HB3 TRP 10 HB3 TRP 10 -7.884 0.928 -3.851 75 HD1 TRP 10 HD1 TRP 10 -7.977 -1.415 -4.811 76 HE1 TRP 10 HE1 TRP 10 -9.834 -3.025 -5.590 77 HE3 TRP 10 HE3 TRP 10 -12.104 1.359 -3.643 78 HZ2 TRP 10 HZ2 TRP 10 -12.690 -3.125 -5.702 79 HZ3 TRP 10 HZ3 TRP 10 -14.378 0.483 -4.095 80 HH2 TRP 10 HH2 TRP 10 -14.675 -1.753 -5.122 81 H PHE 11 HN PHE 11 -10.006 0.228 0.032 82 HA PHE 11 HA PHE 11 -9.201 -1.417 1.527 83 HB2 PHE 11 HB2 PHE 11 -8.174 -2.493 -1.134 84 HB3 PHE 11 HB3 PHE 11 -8.108 -3.396 0.377 85 HD1 PHE 11 HD2 PHE 11 -10.195 -4.112 1.514 86 HD2 PHE 11 HD1 PHE 11 -10.259 -2.170 -2.318 87 HE1 PHE 11 HE2 PHE 11 -12.538 -4.851 1.179 88 HE2 PHE 11 HE1 PHE 11 -12.602 -2.910 -2.652 89 HZ PHE 11 HZ PHE 11 -13.742 -4.250 -0.904 90 H TRP 12 HN TRP 12 -7.733 1.052 0.729 91 HA TRP 12 HA TRP 12 -5.641 2.100 0.924 92 HB2 TRP 12 HB2 TRP 12 -5.910 -0.001 3.001 93 HB3 TRP 12 HB3 TRP 12 -4.309 0.697 2.795 94 HD1 TRP 12 HD1 TRP 12 -4.598 3.605 2.448 95 HE1 TRP 12 HE1 TRP 12 -5.789 5.152 4.130 96 HE3 TRP 12 HE3 TRP 12 -7.529 0.192 4.870 97 HZ2 TRP 12 HZ2 TRP 12 -7.730 4.971 6.220 98 HZ3 TRP 12 HZ3 TRP 12 -9.038 0.908 6.700 99 HH2 TRP 12 HH2 TRP 12 -9.143 3.290 7.378 100 H PHE 13 HN PHE 13 -5.873 0.190 -1.226 101 HA PHE 13 HA PHE 13 -3.605 -1.570 -1.392 102 HB2 PHE 13 HB2 PHE 13 -5.461 -1.943 -2.835 103 HB3 PHE 13 HB3 PHE 13 -5.510 -0.254 -3.334 104 HD1 PHE 13 HD1 PHE 13 -3.233 -3.239 -3.403 105 HD2 PHE 13 HD2 PHE 13 -4.496 0.380 -5.343 106 HE1 PHE 13 HE1 PHE 13 -1.757 -3.754 -5.327 107 HE2 PHE 13 HE2 PHE 13 -3.020 -0.137 -7.268 108 HZ PHE 13 HZ PHE 13 -1.649 -2.203 -7.259 109 H SER 14 HN SER 14 -4.188 1.686 -2.688 110 HA SER 14 HA SER 14 -1.600 2.097 -3.837 111 HB2 SER 14 HB2 SER 14 -3.920 3.408 -3.907 112 HB3 SER 14 HB3 SER 14 -3.170 4.335 -2.611 113 HG SER 14 HG SER 14 -2.172 5.339 -4.158 114 H LEU 15 HN LEU 15 -2.865 2.567 -0.595 115 HA LEU 15 HA LEU 15 -0.615 3.986 0.527 116 HB2 LEU 15 HB2 LEU 15 -2.966 3.788 1.440 117 HB3 LEU 15 HB3 LEU 15 -2.609 2.113 1.853 118 HG LEU 15 HG LEU 15 -0.513 3.869 2.824 119 HD11 LEU 15 HD11 LEU 15 -2.678 5.354 2.816 120 HD12 LEU 15 HD12 LEU 15 -1.676 5.297 4.266 121 HD13 LEU 15 HD13 LEU 15 -3.156 4.342 4.179 122 HD21 LEU 15 HD21 LEU 15 -2.531 2.108 4.257 123 HD22 LEU 15 HD22 LEU 15 -1.007 2.696 4.922 124 HD23 LEU 15 HD23 LEU 15 -0.999 1.548 3.584 125 H LEU 16 HN LEU 16 -1.484 0.527 0.320 126 HA LEU 16 HA LEU 16 0.721 -0.511 1.825 127 HB2 LEU 16 HB2 LEU 16 -1.491 -1.591 0.984 128 HB3 LEU 16 HB3 LEU 16 -0.614 -1.869 -0.519 129 HG LEU 16 HG LEU 16 0.939 -2.664 1.830 130 HD11 LEU 16 HD11 LEU 16 -1.671 -4.106 1.264 131 HD12 LEU 16 HD12 LEU 16 -1.322 -3.161 2.712 132 HD13 LEU 16 HD13 LEU 16 -0.418 -4.640 2.386 133 HD21 LEU 16 HD21 LEU 16 1.257 -3.215 -0.666 134 HD22 LEU 16 HD22 LEU 16 -0.063 -4.365 -0.462 135 HD23 LEU 16 HD23 LEU 16 1.423 -4.556 0.467 136 H LEU 17 HN LEU 17 0.303 0.136 -1.623 137 HA LEU 17 HA LEU 17 2.815 -0.867 -2.546 138 HB2 LEU 17 HB2 LEU 17 0.625 -0.005 -3.745 139 HB3 LEU 17 HB3 LEU 17 1.462 1.547 -3.724 140 HG LEU 17 HG LEU 17 3.101 -0.746 -4.624 141 HD11 LEU 17 HD11 LEU 17 2.065 -1.069 -6.716 142 HD12 LEU 17 HD12 LEU 17 1.071 0.377 -6.549 143 HD13 LEU 17 HD13 LEU 17 0.710 -1.057 -5.588 144 HD21 LEU 17 HD21 LEU 17 4.148 0.892 -5.882 145 HD22 LEU 17 HD22 LEU 17 3.462 1.902 -4.611 146 HD23 LEU 17 HD23 LEU 17 2.650 1.775 -6.171 147 H LEU 18 HN LEU 18 1.847 2.176 -1.113 148 HA LEU 18 HA LEU 18 4.302 3.626 -1.596 149 HB2 LEU 18 HB2 LEU 18 1.779 4.249 -0.837 150 HB3 LEU 18 HB3 LEU 18 2.556 4.236 0.743 151 HG LEU 18 HG LEU 18 2.611 6.492 -0.246 152 HD11 LEU 18 HD11 LEU 18 5.426 5.446 -0.437 153 HD12 LEU 18 HD12 LEU 18 4.575 5.435 1.108 154 HD13 LEU 18 HD13 LEU 18 4.850 6.959 0.263 155 HD21 LEU 18 HD21 LEU 18 2.671 5.536 -2.640 156 HD22 LEU 18 HD22 LEU 18 4.412 5.378 -2.403 157 HD23 LEU 18 HD23 LEU 18 3.653 6.967 -2.326 158 H ALA 19 HN ALA 19 3.051 1.650 1.052 159 HA ALA 19 HA ALA 19 5.154 2.120 2.953 160 HB1 ALA 19 HB1 ALA 19 4.139 0.313 4.112 161 HB2 ALA 19 HB2 ALA 19 3.620 -0.463 2.616 162 HB3 ALA 19 HB3 ALA 19 2.816 1.005 3.172 163 H ALA 20 HN ALA 20 4.765 -0.272 0.335 164 HA ALA 20 HA ALA 20 7.095 -1.851 0.897 165 HB1 ALA 20 HB1 ALA 20 5.307 -1.283 -1.450 166 HB2 ALA 20 HB2 ALA 20 5.576 -2.805 -0.598 167 HB3 ALA 20 HB3 ALA 20 6.792 -2.195 -1.721 168 H GLY 21 HN GLY 21 6.594 1.039 -1.148 169 HA2 GLY 21 HA2 GLY 21 9.237 1.177 -2.233 170 HA3 GLY 21 HA3 GLY 21 8.133 2.545 -2.085 171 H VAL 22 HN VAL 22 7.828 2.467 0.770 172 HA VAL 22 HA VAL 22 10.070 4.036 1.624 173 HB VAL 22 HB VAL 22 7.937 2.511 3.167 174 HG11 VAL 22 HG11 VAL 22 9.805 4.744 4.021 175 HG12 VAL 22 HG12 VAL 22 9.753 3.105 4.671 176 HG13 VAL 22 HG13 VAL 22 8.408 4.208 4.955 177 HG21 VAL 22 HG21 VAL 22 7.738 5.429 2.965 178 HG22 VAL 22 HG22 VAL 22 6.514 4.198 2.652 179 HG23 VAL 22 HG23 VAL 22 7.667 4.634 1.392 180 H GLY 23 HN GLY 23 9.220 0.606 2.206 181 HA2 GLY 23 HA2 GLY 23 11.424 -0.017 3.917 182 HA3 GLY 23 HA3 GLY 23 10.525 -1.193 2.958 183 H ILE 24 HN ILE 24 11.070 -0.156 0.367 184 HA ILE 24 HA ILE 24 13.662 -1.316 -0.163 185 HB ILE 24 HB ILE 24 11.795 0.454 -1.793 186 HG12 ILE 24 HG12 ILE 24 12.207 -2.490 -2.217 187 HG13 ILE 24 HG13 ILE 24 11.181 -1.964 -0.883 188 HG21 ILE 24 HG21 ILE 24 13.969 0.582 -2.816 189 HG22 ILE 24 HG22 ILE 24 13.035 -0.585 -3.751 190 HG23 ILE 24 HG23 ILE 24 14.242 -1.146 -2.594 191 HD11 ILE 24 HD11 ILE 24 10.844 -1.226 -3.804 192 HD12 ILE 24 HD12 ILE 24 9.864 -0.580 -2.488 193 HD13 ILE 24 HD13 ILE 24 9.804 -2.300 -2.869 194 H TYR 25 HN TYR 25 12.526 2.061 0.189 195 HA TYR 25 HA TYR 25 14.955 3.345 -0.642 196 HB2 TYR 25 HB2 TYR 25 12.556 4.254 -0.146 197 HB3 TYR 25 HB3 TYR 25 13.126 4.387 1.519 198 HD1 TYR 25 HD2 TYR 25 14.960 5.908 2.113 199 HD2 TYR 25 HD1 TYR 25 13.499 5.642 -1.917 200 HE1 TYR 25 HE2 TYR 25 16.142 8.013 1.546 201 HE2 TYR 25 HE1 TYR 25 14.681 7.746 -2.485 202 HH TYR 25 HH TYR 25 17.054 8.965 -1.043 203 H LEU 26 HN LEU 26 14.013 1.748 2.344 204 HA LEU 26 HA LEU 26 16.226 2.834 3.936 205 HB2 LEU 26 HB2 LEU 26 14.179 0.619 4.268 206 HB3 LEU 26 HB3 LEU 26 15.385 0.987 5.502 207 HG LEU 26 HG LEU 26 13.756 3.249 4.414 208 HD11 LEU 26 HD11 LEU 26 12.749 1.335 6.540 209 HD12 LEU 26 HD12 LEU 26 12.135 1.402 4.890 210 HD13 LEU 26 HD13 LEU 26 11.935 2.788 5.961 211 HD21 LEU 26 HD21 LEU 26 14.064 4.098 6.675 212 HD22 LEU 26 HD22 LEU 26 15.623 3.539 6.068 213 HD23 LEU 26 HD23 LEU 26 14.713 2.546 7.208 214 H LEU 27 HN LEU 27 15.778 0.282 1.632 215 HA LEU 27 HA LEU 27 18.524 -0.749 2.204 216 HB2 LEU 27 HB2 LEU 27 16.437 -2.057 3.147 217 HB3 LEU 27 HB3 LEU 27 16.245 -2.577 1.472 218 HG LEU 27 HG LEU 27 19.020 -2.804 2.255 219 HD11 LEU 27 HD11 LEU 27 16.985 -4.196 4.022 220 HD12 LEU 27 HD12 LEU 27 18.220 -3.047 4.538 221 HD13 LEU 27 HD13 LEU 27 18.691 -4.636 3.936 222 HD21 LEU 27 HD21 LEU 27 18.136 -4.062 0.415 223 HD22 LEU 27 HD22 LEU 27 16.839 -4.727 1.407 224 HD23 LEU 27 HD23 LEU 27 18.506 -5.236 1.678 225 HA PRO 28 HA PRO 28 17.508 -0.340 -2.345 226 HB2 PRO 28 HB2 PRO 28 18.345 2.206 -2.915 227 HB3 PRO 28 HB3 PRO 28 16.695 1.812 -2.403 228 HG2 PRO 28 HG2 PRO 28 18.781 3.220 -0.947 229 HG3 PRO 28 HG3 PRO 28 17.054 3.102 -0.605 230 HD2 PRO 28 HD2 PRO 28 19.242 1.638 0.610 231 HD3 PRO 28 HD3 PRO 28 17.535 1.678 1.072 232 H ASN 29 HN ASN 29 20.315 0.554 -0.448 233 HA ASN 29 HA ASN 29 22.182 0.316 -2.729 234 HB2 ASN 29 HB2 ASN 29 23.833 0.966 -1.046 235 HB3 ASN 29 HB3 ASN 29 22.415 2.003 -0.900 236 HD21 ASN 29 HD21 ASN 29 24.354 -0.401 0.747 237 HD22 ASN 29 HD22 ASN 29 23.456 -0.423 2.187 238 H ARG 30 HN ARG 30 20.828 -1.729 -0.268 239 HA ARG 30 HA ARG 30 21.451 -3.847 0.587 240 HB2 ARG 30 HB2 ARG 30 21.500 -5.456 -1.318 241 HB3 ARG 30 HB3 ARG 30 20.231 -4.249 -1.489 242 HG2 ARG 30 HG2 ARG 30 21.315 -3.158 -3.235 243 HG3 ARG 30 HG3 ARG 30 22.909 -3.711 -2.726 244 HD2 ARG 30 HD2 ARG 30 20.955 -5.814 -3.561 245 HD3 ARG 30 HD3 ARG 30 21.679 -4.812 -4.834 246 HE ARG 30 HE ARG 30 23.109 -6.745 -3.175 247 HH11 ARG 30 HH21 ARG 30 23.752 -6.083 -6.049 248 HH12 ARG 30 HH22 ARG 30 25.241 -5.215 -5.888 249 HH21 ARG 30 HH11 ARG 30 24.838 -4.635 -2.482 250 HH22 ARG 30 HH12 ARG 30 25.861 -4.394 -3.861 Start of MODEL 39 1 HA HIS 1 HA HIS 1 -13.503 -8.428 17.942 2 HB2 HIS 1 HB2 HIS 1 -13.259 -11.355 18.155 3 HB3 HIS 1 HB3 HIS 1 -12.073 -10.631 17.070 4 HD1 HIS 1 HD1 HIS 1 -10.714 -8.513 18.149 5 HD2 HIS 1 HD2 HIS 1 -12.626 -11.062 20.837 6 HE1 HIS 1 HE1 HIS 1 -9.686 -8.062 20.418 7 H SER 2 HN SER 2 -12.505 -7.750 15.971 8 HA SER 2 HA SER 2 -13.897 -8.684 13.487 9 HB2 SER 2 HB2 SER 2 -13.880 -6.230 14.503 10 HB3 SER 2 HB3 SER 2 -12.313 -6.144 13.702 11 HG SER 2 HG SER 2 -13.838 -5.508 12.226 12 H VAL 3 HN VAL 3 -11.840 -10.341 14.306 13 HA VAL 3 HA VAL 3 -9.513 -9.563 12.573 14 HB VAL 3 HB VAL 3 -9.584 -11.624 14.801 15 HG11 VAL 3 HG11 VAL 3 -7.090 -10.905 14.812 16 HG12 VAL 3 HG12 VAL 3 -7.434 -10.200 13.232 17 HG13 VAL 3 HG13 VAL 3 -7.644 -11.932 13.491 18 HG21 VAL 3 HG21 VAL 3 -8.459 -9.764 16.154 19 HG22 VAL 3 HG22 VAL 3 -10.191 -9.572 15.883 20 HG23 VAL 3 HG23 VAL 3 -9.041 -8.644 14.921 21 H SER 4 HN SER 4 -12.095 -10.880 11.726 22 HA SER 4 HA SER 4 -11.048 -13.547 10.864 23 HB2 SER 4 HB2 SER 4 -13.775 -12.419 11.449 24 HB3 SER 4 HB3 SER 4 -13.607 -13.856 10.445 25 HG SER 4 HG SER 4 -13.482 -14.857 12.290 26 H HIS 5 HN HIS 5 -13.659 -11.598 9.503 27 HA HIS 5 HA HIS 5 -12.240 -11.651 6.861 28 HB2 HIS 5 HB2 HIS 5 -15.104 -11.856 7.763 29 HB3 HIS 5 HB3 HIS 5 -14.744 -11.303 6.130 30 HD1 HIS 5 HD1 HIS 5 -12.567 -13.037 5.149 31 HD2 HIS 5 HD2 HIS 5 -15.571 -14.565 7.604 32 HE1 HIS 5 HE1 HIS 5 -12.603 -15.541 4.765 33 H ALA 6 HN ALA 6 -11.775 -9.560 8.856 34 HA ALA 6 HA ALA 6 -13.088 -7.205 7.536 35 HB1 ALA 6 HB1 ALA 6 -13.643 -7.511 9.907 36 HB2 ALA 6 HB2 ALA 6 -12.615 -6.090 9.728 37 HB3 ALA 6 HB3 ALA 6 -11.931 -7.605 10.317 38 H ARG 7 HN ARG 7 -10.857 -8.363 6.276 39 HA ARG 7 HA ARG 7 -8.365 -7.095 7.111 40 HB2 ARG 7 HB2 ARG 7 -9.239 -9.170 5.414 41 HB3 ARG 7 HB3 ARG 7 -8.487 -7.987 4.347 42 HG2 ARG 7 HG2 ARG 7 -6.462 -8.714 4.996 43 HG3 ARG 7 HG3 ARG 7 -6.825 -8.207 6.645 44 HD2 ARG 7 HD2 ARG 7 -8.024 -10.790 5.726 45 HD3 ARG 7 HD3 ARG 7 -6.284 -10.771 6.075 46 HE ARG 7 HE ARG 7 -8.005 -9.477 8.098 47 HH11 ARG 7 HH21 ARG 7 -5.206 -10.608 8.517 48 HH12 ARG 7 HH22 ARG 7 -5.552 -12.034 9.436 49 HH21 ARG 7 HH11 ARG 7 -8.940 -12.031 8.644 50 HH22 ARG 7 HH12 ARG 7 -7.679 -12.843 9.513 51 HA PRO 8 HA PRO 8 -9.581 -3.281 5.047 52 HB2 PRO 8 HB2 PRO 8 -7.504 -1.777 6.006 53 HB3 PRO 8 HB3 PRO 8 -8.952 -2.147 6.962 54 HG2 PRO 8 HG2 PRO 8 -6.246 -3.363 7.078 55 HG3 PRO 8 HG3 PRO 8 -7.393 -3.029 8.384 56 HD2 PRO 8 HD2 PRO 8 -6.978 -5.511 7.276 57 HD3 PRO 8 HD3 PRO 8 -8.463 -5.019 8.118 58 H ARG 9 HN ARG 9 -8.995 -4.341 2.967 59 HA ARG 9 HA ARG 9 -6.323 -3.433 1.961 60 HB2 ARG 9 HB2 ARG 9 -7.295 -6.086 2.408 61 HB3 ARG 9 HB3 ARG 9 -7.183 -5.850 0.664 62 HG2 ARG 9 HG2 ARG 9 -4.858 -5.143 0.865 63 HG3 ARG 9 HG3 ARG 9 -4.953 -5.235 2.625 64 HD2 ARG 9 HD2 ARG 9 -5.564 -7.705 2.336 65 HD3 ARG 9 HD3 ARG 9 -5.074 -7.523 0.640 66 HE ARG 9 HE ARG 9 -2.832 -6.773 1.491 67 HH11 ARG 9 HH11 ARG 9 -3.357 -9.666 2.281 68 HH12 ARG 9 HH12 ARG 9 -2.857 -9.663 3.938 69 HH21 ARG 9 HH21 ARG 9 -2.894 -6.197 4.214 70 HH22 ARG 9 HH22 ARG 9 -2.597 -7.691 5.039 71 H TRP 10 HN TRP 10 -6.705 -4.341 -0.688 72 HA TRP 10 HA TRP 10 -7.715 -3.767 -2.731 73 HB2 TRP 10 HB2 TRP 10 -10.114 -3.513 -0.883 74 HB3 TRP 10 HB3 TRP 10 -10.210 -3.495 -2.640 75 HD1 TRP 10 HD1 TRP 10 -9.270 -5.753 -3.906 76 HE1 TRP 10 HE1 TRP 10 -9.402 -8.214 -3.152 77 HE3 TRP 10 HE3 TRP 10 -10.167 -5.102 1.081 78 HZ2 TRP 10 HZ2 TRP 10 -9.831 -9.709 -0.751 79 HZ3 TRP 10 HZ3 TRP 10 -10.433 -7.061 2.576 80 HH2 TRP 10 HH2 TRP 10 -10.266 -9.362 1.666 81 H PHE 11 HN PHE 11 -9.534 -1.597 -0.533 82 HA PHE 11 HA PHE 11 -9.085 0.730 -2.199 83 HB2 PHE 11 HB2 PHE 11 -11.040 0.366 -0.714 84 HB3 PHE 11 HB3 PHE 11 -9.978 0.432 0.692 85 HD1 PHE 11 HD2 PHE 11 -11.206 2.411 -2.224 86 HD2 PHE 11 HD1 PHE 11 -9.312 2.509 1.631 87 HE1 PHE 11 HE2 PHE 11 -11.395 4.883 -2.193 88 HE2 PHE 11 HE1 PHE 11 -9.501 4.980 1.661 89 HZ PHE 11 HZ PHE 11 -10.542 6.169 -0.250 90 H TRP 12 HN TRP 12 -7.296 -0.766 0.423 91 HA TRP 12 HA TRP 12 -5.630 1.667 0.833 92 HB2 TRP 12 HB2 TRP 12 -5.698 -1.048 2.190 93 HB3 TRP 12 HB3 TRP 12 -4.756 0.341 2.728 94 HD1 TRP 12 HD1 TRP 12 -7.989 -1.272 3.241 95 HE1 TRP 12 HE1 TRP 12 -9.638 0.301 4.438 96 HE3 TRP 12 HE3 TRP 12 -5.500 3.158 2.740 97 HZ2 TRP 12 HZ2 TRP 12 -9.873 3.076 5.099 98 HZ3 TRP 12 HZ3 TRP 12 -6.458 5.249 3.660 99 HH2 TRP 12 HH2 TRP 12 -8.640 5.214 4.838 100 H PHE 13 HN PHE 13 -5.566 -0.393 -1.576 101 HA PHE 13 HA PHE 13 -3.060 -1.761 -1.495 102 HB2 PHE 13 HB2 PHE 13 -5.111 -1.796 -3.159 103 HB3 PHE 13 HB3 PHE 13 -4.179 -0.564 -4.010 104 HD1 PHE 13 HD1 PHE 13 -3.887 -3.996 -2.546 105 HD2 PHE 13 HD2 PHE 13 -2.424 -1.180 -5.439 106 HE1 PHE 13 HE1 PHE 13 -2.450 -5.760 -3.535 107 HE2 PHE 13 HE2 PHE 13 -0.988 -2.943 -6.430 108 HZ PHE 13 HZ PHE 13 -1.001 -5.233 -5.478 109 H SER 14 HN SER 14 -3.910 1.456 -2.730 110 HA SER 14 HA SER 14 -1.317 2.241 -3.629 111 HB2 SER 14 HB2 SER 14 -3.756 3.301 -3.784 112 HB3 SER 14 HB3 SER 14 -3.215 4.189 -2.362 113 HG SER 14 HG SER 14 -2.758 5.190 -4.446 114 H LEU 15 HN LEU 15 -2.849 2.344 -0.462 115 HA LEU 15 HA LEU 15 -0.823 3.870 0.918 116 HB2 LEU 15 HB2 LEU 15 -3.179 3.402 1.676 117 HB3 LEU 15 HB3 LEU 15 -2.724 1.720 1.935 118 HG LEU 15 HG LEU 15 -0.848 3.540 3.221 119 HD11 LEU 15 HD11 LEU 15 -3.789 3.728 3.916 120 HD12 LEU 15 HD12 LEU 15 -2.694 5.050 3.508 121 HD13 LEU 15 HD13 LEU 15 -2.506 4.188 5.035 122 HD21 LEU 15 HD21 LEU 15 -2.716 1.394 4.285 123 HD22 LEU 15 HD22 LEU 15 -1.327 2.071 5.139 124 HD23 LEU 15 HD23 LEU 15 -1.083 1.112 3.679 125 H LEU 16 HN LEU 16 -1.407 0.347 0.576 126 HA LEU 16 HA LEU 16 0.951 -0.498 1.998 127 HB2 LEU 16 HB2 LEU 16 -1.275 -1.705 1.111 128 HB3 LEU 16 HB3 LEU 16 -0.222 -2.093 -0.248 129 HG LEU 16 HG LEU 16 0.815 -2.547 2.526 130 HD11 LEU 16 HD11 LEU 16 -1.134 -4.357 1.068 131 HD12 LEU 16 HD12 LEU 16 -1.396 -3.568 2.624 132 HD13 LEU 16 HD13 LEU 16 -0.183 -4.839 2.472 133 HD21 LEU 16 HD21 LEU 16 1.158 -3.792 -0.210 134 HD22 LEU 16 HD22 LEU 16 1.792 -4.550 1.251 135 HD23 LEU 16 HD23 LEU 16 2.370 -2.958 0.763 136 H LEU 17 HN LEU 17 0.265 0.249 -1.361 137 HA LEU 17 HA LEU 17 2.719 -0.595 -2.556 138 HB2 LEU 17 HB2 LEU 17 0.381 1.096 -3.155 139 HB3 LEU 17 HB3 LEU 17 1.837 1.598 -4.003 140 HG LEU 17 HG LEU 17 0.434 -0.082 -5.258 141 HD11 LEU 17 HD11 LEU 17 3.196 -1.045 -4.466 142 HD12 LEU 17 HD12 LEU 17 2.869 0.207 -5.666 143 HD13 LEU 17 HD13 LEU 17 2.333 -1.448 -5.950 144 HD21 LEU 17 HD21 LEU 17 1.273 -1.819 -2.920 145 HD22 LEU 17 HD22 LEU 17 0.712 -2.479 -4.455 146 HD23 LEU 17 HD23 LEU 17 -0.365 -1.484 -3.477 147 H LEU 18 HN LEU 18 1.780 2.313 -0.841 148 HA LEU 18 HA LEU 18 4.170 3.852 -1.432 149 HB2 LEU 18 HB2 LEU 18 1.797 4.605 -0.703 150 HB3 LEU 18 HB3 LEU 18 2.314 4.183 0.929 151 HG LEU 18 HG LEU 18 4.367 5.675 0.477 152 HD11 LEU 18 HD11 LEU 18 3.818 7.510 -1.202 153 HD12 LEU 18 HD12 LEU 18 2.536 6.459 -1.805 154 HD13 LEU 18 HD13 LEU 18 4.220 5.942 -1.902 155 HD21 LEU 18 HD21 LEU 18 3.066 7.732 1.032 156 HD22 LEU 18 HD22 LEU 18 2.564 6.341 1.993 157 HD23 LEU 18 HD23 LEU 18 1.581 6.872 0.627 158 H ALA 19 HN ALA 19 3.080 1.797 1.226 159 HA ALA 19 HA ALA 19 5.288 2.241 3.014 160 HB1 ALA 19 HB1 ALA 19 3.700 -0.318 2.707 161 HB2 ALA 19 HB2 ALA 19 2.978 1.144 3.381 162 HB3 ALA 19 HB3 ALA 19 4.352 0.386 4.187 163 H ALA 20 HN ALA 20 4.761 -0.081 0.361 164 HA ALA 20 HA ALA 20 7.090 -1.703 0.776 165 HB1 ALA 20 HB1 ALA 20 5.801 -0.998 -1.873 166 HB2 ALA 20 HB2 ALA 20 5.021 -2.064 -0.704 167 HB3 ALA 20 HB3 ALA 20 6.570 -2.518 -1.416 168 H GLY 21 HN GLY 21 6.569 1.287 -1.111 169 HA2 GLY 21 HA2 GLY 21 9.189 1.376 -2.292 170 HA3 GLY 21 HA3 GLY 21 8.100 2.754 -2.121 171 H VAL 22 HN VAL 22 7.836 2.786 0.697 172 HA VAL 22 HA VAL 22 10.154 4.265 1.503 173 HB VAL 22 HB VAL 22 7.895 2.926 3.035 174 HG11 VAL 22 HG11 VAL 22 9.898 5.004 3.977 175 HG12 VAL 22 HG12 VAL 22 9.798 3.336 4.542 176 HG13 VAL 22 HG13 VAL 22 8.487 4.464 4.886 177 HG21 VAL 22 HG21 VAL 22 8.325 5.842 2.319 178 HG22 VAL 22 HG22 VAL 22 6.872 5.114 3.005 179 HG23 VAL 22 HG23 VAL 22 7.350 4.740 1.350 180 H GLY 23 HN GLY 23 9.178 0.878 2.099 181 HA2 GLY 23 HA2 GLY 23 11.320 0.212 3.884 182 HA3 GLY 23 HA3 GLY 23 10.396 -0.948 2.931 183 H ILE 24 HN ILE 24 11.003 -0.095 0.332 184 HA ILE 24 HA ILE 24 13.581 -1.297 -0.112 185 HB ILE 24 HB ILE 24 11.645 0.335 -1.784 186 HG12 ILE 24 HG12 ILE 24 12.471 -2.566 -2.044 187 HG13 ILE 24 HG13 ILE 24 11.154 -2.056 -0.988 188 HG21 ILE 24 HG21 ILE 24 14.290 -0.905 -2.590 189 HG22 ILE 24 HG22 ILE 24 13.776 0.769 -2.805 190 HG23 ILE 24 HG23 ILE 24 13.024 -0.514 -3.753 191 HD11 ILE 24 HD11 ILE 24 9.790 -1.437 -2.756 192 HD12 ILE 24 HD12 ILE 24 10.684 -2.758 -3.511 193 HD13 ILE 24 HD13 ILE 24 11.152 -1.085 -3.821 194 H TYR 25 HN TYR 25 12.520 2.109 0.146 195 HA TYR 25 HA TYR 25 14.980 3.311 -0.733 196 HB2 TYR 25 HB2 TYR 25 12.661 4.352 -0.338 197 HB3 TYR 25 HB3 TYR 25 13.099 4.405 1.371 198 HD1 TYR 25 HD1 TYR 25 13.909 5.684 -2.000 199 HD2 TYR 25 HD2 TYR 25 14.838 5.890 2.189 200 HE1 TYR 25 HE1 TYR 25 15.225 7.749 -2.393 201 HE2 TYR 25 HE2 TYR 25 16.151 7.957 1.796 202 HH TYR 25 HH TYR 25 17.421 8.880 -0.677 203 H LEU 26 HN LEU 26 13.998 1.821 2.295 204 HA LEU 26 HA LEU 26 16.233 2.895 3.864 205 HB2 LEU 26 HB2 LEU 26 14.161 0.707 4.236 206 HB3 LEU 26 HB3 LEU 26 15.368 1.090 5.462 207 HG LEU 26 HG LEU 26 13.724 3.321 4.322 208 HD11 LEU 26 HD11 LEU 26 12.331 1.202 5.130 209 HD12 LEU 26 HD12 LEU 26 11.827 2.837 5.558 210 HD13 LEU 26 HD13 LEU 26 12.709 1.854 6.725 211 HD21 LEU 26 HD21 LEU 26 14.845 2.712 7.078 212 HD22 LEU 26 HD22 LEU 26 14.050 4.211 6.599 213 HD23 LEU 26 HD23 LEU 26 15.597 3.766 5.881 214 H LEU 27 HN LEU 27 15.612 0.176 1.746 215 HA LEU 27 HA LEU 27 18.387 -0.838 2.241 216 HB2 LEU 27 HB2 LEU 27 16.293 -2.092 3.236 217 HB3 LEU 27 HB3 LEU 27 16.065 -2.636 1.572 218 HG LEU 27 HG LEU 27 18.838 -2.927 2.211 219 HD11 LEU 27 HD11 LEU 27 16.968 -4.195 4.237 220 HD12 LEU 27 HD12 LEU 27 18.120 -2.906 4.579 221 HD13 LEU 27 HD13 LEU 27 18.700 -4.501 4.099 222 HD21 LEU 27 HD21 LEU 27 16.531 -4.826 1.720 223 HD22 LEU 27 HD22 LEU 27 18.190 -5.389 1.924 224 HD23 LEU 27 HD23 LEU 27 17.781 -4.322 0.583 225 HA PRO 28 HA PRO 28 17.351 -0.457 -2.295 226 HB2 PRO 28 HB2 PRO 28 18.354 2.021 -2.898 227 HB3 PRO 28 HB3 PRO 28 16.684 1.743 -2.369 228 HG2 PRO 28 HG2 PRO 28 18.868 3.026 -0.945 229 HG3 PRO 28 HG3 PRO 28 17.143 3.018 -0.585 230 HD2 PRO 28 HD2 PRO 28 19.248 1.428 0.618 231 HD3 PRO 28 HD3 PRO 28 17.553 1.582 1.101 232 H ASN 29 HN ASN 29 20.242 0.250 -0.438 233 HA ASN 29 HA ASN 29 22.105 0.004 -2.688 234 HB2 ASN 29 HB2 ASN 29 22.191 0.351 0.282 235 HB3 ASN 29 HB3 ASN 29 23.640 -0.276 -0.503 236 HD21 ASN 29 HD21 ASN 29 24.907 1.193 -1.755 237 HD22 ASN 29 HD22 ASN 29 24.507 2.831 -1.950 238 H ARG 30 HN ARG 30 20.886 -2.117 -0.096 239 HA ARG 30 HA ARG 30 20.989 -4.454 0.172 240 HB2 ARG 30 HB2 ARG 30 20.620 -3.842 -2.533 241 HB3 ARG 30 HB3 ARG 30 21.920 -5.031 -2.539 242 HG2 ARG 30 HG2 ARG 30 19.612 -5.603 -0.749 243 HG3 ARG 30 HG3 ARG 30 19.311 -5.723 -2.481 244 HD2 ARG 30 HD2 ARG 30 20.152 -7.844 -2.246 245 HD3 ARG 30 HD3 ARG 30 21.729 -7.031 -2.245 246 HE ARG 30 HE ARG 30 20.514 -6.992 0.391 247 HH11 ARG 30 HH21 ARG 30 23.437 -7.365 -0.113 248 HH12 ARG 30 HH22 ARG 30 23.674 -9.031 0.305 249 HH21 ARG 30 HH11 ARG 30 20.288 -9.814 0.166 250 HH22 ARG 30 HH12 ARG 30 21.882 -10.423 0.463 Start of MODEL 40 1 HA HIS 1 HA HIS 1 -20.587 -2.486 -7.647 2 HB2 HIS 1 HB2 HIS 1 -21.429 -4.602 -6.850 3 HB3 HIS 1 HB3 HIS 1 -20.719 -4.889 -8.436 4 HD1 HIS 1 HD1 HIS 1 -20.048 -5.429 -4.754 5 HD2 HIS 1 HD2 HIS 1 -18.464 -6.588 -8.433 6 HE1 HIS 1 HE1 HIS 1 -18.347 -7.240 -4.265 7 H SER 2 HN SER 2 -17.436 -3.261 -6.527 8 HA SER 2 HA SER 2 -18.191 -2.530 -3.716 9 HB2 SER 2 HB2 SER 2 -16.094 -3.817 -3.164 10 HB3 SER 2 HB3 SER 2 -17.335 -4.796 -3.941 11 HG SER 2 HG SER 2 -14.834 -4.250 -4.760 12 H VAL 3 HN VAL 3 -17.362 -0.795 -6.156 13 HA VAL 3 HA VAL 3 -15.112 0.628 -4.777 14 HB VAL 3 HB VAL 3 -14.322 1.166 -7.116 15 HG11 VAL 3 HG11 VAL 3 -13.395 -0.715 -5.735 16 HG12 VAL 3 HG12 VAL 3 -13.274 -0.994 -7.472 17 HG13 VAL 3 HG13 VAL 3 -14.530 -1.803 -6.536 18 HG21 VAL 3 HG21 VAL 3 -16.181 -1.056 -7.992 19 HG22 VAL 3 HG22 VAL 3 -15.237 0.034 -9.006 20 HG23 VAL 3 HG23 VAL 3 -16.635 0.644 -8.120 21 H SER 4 HN SER 4 -17.491 1.503 -4.056 22 HA SER 4 HA SER 4 -17.968 3.963 -5.691 23 HB2 SER 4 HB2 SER 4 -20.418 3.571 -5.172 24 HB3 SER 4 HB3 SER 4 -19.700 2.378 -6.243 25 HG SER 4 HG SER 4 -20.353 0.988 -4.810 26 H HIS 5 HN HIS 5 -19.863 3.018 -2.937 27 HA HIS 5 HA HIS 5 -18.678 5.274 -1.353 28 HB2 HIS 5 HB2 HIS 5 -21.264 4.713 -2.152 29 HB3 HIS 5 HB3 HIS 5 -21.239 4.084 -0.505 30 HD1 HIS 5 HD1 HIS 5 -21.759 7.148 -2.310 31 HD2 HIS 5 HD2 HIS 5 -20.048 6.177 1.366 32 HE1 HIS 5 HE1 HIS 5 -21.697 9.290 -0.960 33 H ALA 6 HN ALA 6 -17.520 2.554 -1.460 34 HA ALA 6 HA ALA 6 -17.380 2.031 1.429 35 HB1 ALA 6 HB1 ALA 6 -19.432 0.844 0.678 36 HB2 ALA 6 HB2 ALA 6 -18.185 -0.297 1.185 37 HB3 ALA 6 HB3 ALA 6 -18.478 -0.019 -0.531 38 H ARG 7 HN ARG 7 -15.162 2.731 0.648 39 HA ARG 7 HA ARG 7 -13.662 0.484 -0.668 40 HB2 ARG 7 HB2 ARG 7 -13.237 3.489 -0.564 41 HB3 ARG 7 HB3 ARG 7 -12.070 2.369 -1.262 42 HG2 ARG 7 HG2 ARG 7 -13.207 2.489 -3.201 43 HG3 ARG 7 HG3 ARG 7 -14.553 1.676 -2.403 44 HD2 ARG 7 HD2 ARG 7 -15.755 3.572 -2.753 45 HD3 ARG 7 HD3 ARG 7 -14.725 4.348 -1.534 46 HE ARG 7 HE ARG 7 -13.666 4.197 -4.305 47 HH11 ARG 7 HH21 ARG 7 -16.060 6.119 -3.741 48 HH12 ARG 7 HH22 ARG 7 -15.200 7.606 -3.517 49 HH21 ARG 7 HH11 ARG 7 -12.106 6.063 -3.134 50 HH22 ARG 7 HH12 ARG 7 -12.951 7.574 -3.166 51 HA PRO 8 HA PRO 8 -12.151 0.881 3.715 52 HB2 PRO 8 HB2 PRO 8 -12.163 -1.800 4.272 53 HB3 PRO 8 HB3 PRO 8 -13.581 -0.757 4.502 54 HG2 PRO 8 HG2 PRO 8 -12.964 -2.653 2.296 55 HG3 PRO 8 HG3 PRO 8 -14.512 -2.286 3.072 56 HD2 PRO 8 HD2 PRO 8 -13.752 -1.293 0.639 57 HD3 PRO 8 HD3 PRO 8 -14.910 -0.491 1.723 58 H ARG 9 HN ARG 9 -11.298 -1.587 1.263 59 HA ARG 9 HA ARG 9 -8.420 -1.285 2.059 60 HB2 ARG 9 HB2 ARG 9 -10.186 -3.551 1.298 61 HB3 ARG 9 HB3 ARG 9 -8.536 -3.617 0.679 62 HG2 ARG 9 HG2 ARG 9 -8.167 -4.601 2.725 63 HG3 ARG 9 HG3 ARG 9 -7.984 -2.917 3.211 64 HD2 ARG 9 HD2 ARG 9 -10.550 -2.977 3.650 65 HD3 ARG 9 HD3 ARG 9 -10.355 -4.742 3.625 66 HE ARG 9 HE ARG 9 -8.633 -4.461 5.429 67 HH11 ARG 9 HH11 ARG 9 -8.494 -1.409 4.990 68 HH12 ARG 9 HH12 ARG 9 -9.325 -0.846 6.401 69 HH21 ARG 9 HH21 ARG 9 -10.707 -3.950 7.145 70 HH22 ARG 9 HH22 ARG 9 -10.582 -2.292 7.627 71 H TRP 10 HN TRP 10 -10.716 -0.955 -0.558 72 HA TRP 10 HA TRP 10 -9.112 -1.262 -2.857 73 HB2 TRP 10 HB2 TRP 10 -11.642 -0.698 -2.469 74 HB3 TRP 10 HB3 TRP 10 -11.104 0.979 -2.533 75 HD1 TRP 10 HD1 TRP 10 -11.652 1.845 -4.857 76 HE1 TRP 10 HE1 TRP 10 -11.297 1.006 -7.269 77 HE3 TRP 10 HE3 TRP 10 -9.733 -2.794 -3.909 78 HZ2 TRP 10 HZ2 TRP 10 -10.329 -1.321 -8.617 79 HZ3 TRP 10 HZ3 TRP 10 -9.103 -4.297 -5.774 80 HH2 TRP 10 HH2 TRP 10 -9.399 -3.569 -8.125 81 H PHE 11 HN PHE 11 -9.718 1.819 -1.093 82 HA PHE 11 HA PHE 11 -7.655 3.272 -2.529 83 HB2 PHE 11 HB2 PHE 11 -9.775 4.090 -1.267 84 HB3 PHE 11 HB3 PHE 11 -8.791 3.954 0.191 85 HD1 PHE 11 HD2 PHE 11 -9.238 5.735 -3.006 86 HD2 PHE 11 HD1 PHE 11 -6.878 5.423 0.570 87 HE1 PHE 11 HE2 PHE 11 -8.186 7.924 -3.509 88 HE2 PHE 11 HE1 PHE 11 -5.826 7.611 0.067 89 HZ PHE 11 HZ PHE 11 -6.480 8.862 -1.973 90 H TRP 12 HN TRP 12 -7.805 1.514 0.550 91 HA TRP 12 HA TRP 12 -5.308 2.324 1.661 92 HB2 TRP 12 HB2 TRP 12 -6.931 1.216 3.012 93 HB3 TRP 12 HB3 TRP 12 -7.077 -0.115 1.868 94 HD1 TRP 12 HD1 TRP 12 -5.437 -2.099 2.085 95 HE1 TRP 12 HE1 TRP 12 -3.558 -2.698 3.743 96 HE3 TRP 12 HE3 TRP 12 -4.994 2.347 4.555 97 HZ2 TRP 12 HZ2 TRP 12 -2.063 -1.454 5.843 98 HZ3 TRP 12 HZ3 TRP 12 -3.337 2.612 6.379 99 HH2 TRP 12 HH2 TRP 12 -1.873 0.719 7.024 100 H PHE 13 HN PHE 13 -6.051 0.120 -0.929 101 HA PHE 13 HA PHE 13 -3.730 -1.523 -0.935 102 HB2 PHE 13 HB2 PHE 13 -5.884 -1.686 -2.300 103 HB3 PHE 13 HB3 PHE 13 -5.194 -0.452 -3.354 104 HD1 PHE 13 HD1 PHE 13 -4.639 -3.865 -1.974 105 HD2 PHE 13 HD2 PHE 13 -3.531 -0.989 -4.967 106 HE1 PHE 13 HE1 PHE 13 -3.332 -5.606 -3.166 107 HE2 PHE 13 HE2 PHE 13 -2.225 -2.730 -6.158 108 HZ PHE 13 HZ PHE 13 -2.126 -5.039 -5.257 109 H SER 14 HN SER 14 -4.297 1.702 -2.255 110 HA SER 14 HA SER 14 -1.781 1.965 -3.632 111 HB2 SER 14 HB2 SER 14 -2.416 4.303 -3.778 112 HB3 SER 14 HB3 SER 14 -3.878 3.338 -3.953 113 HG SER 14 HG SER 14 -4.482 3.876 -1.924 114 H LEU 15 HN LEU 15 -2.824 2.545 -0.329 115 HA LEU 15 HA LEU 15 -0.463 3.937 0.597 116 HB2 LEU 15 HB2 LEU 15 -2.780 3.772 1.664 117 HB3 LEU 15 HB3 LEU 15 -2.345 2.136 2.159 118 HG LEU 15 HG LEU 15 -0.424 4.335 2.801 119 HD11 LEU 15 HD11 LEU 15 -2.661 5.241 3.421 120 HD12 LEU 15 HD12 LEU 15 -1.655 4.918 4.832 121 HD13 LEU 15 HD13 LEU 15 -2.948 3.801 4.397 122 HD21 LEU 15 HD21 LEU 15 -1.213 1.637 3.802 123 HD22 LEU 15 HD22 LEU 15 -0.616 2.788 4.996 124 HD23 LEU 15 HD23 LEU 15 0.393 2.343 3.621 125 H LEU 16 HN LEU 16 -1.451 0.504 0.522 126 HA LEU 16 HA LEU 16 0.804 -0.599 1.885 127 HB2 LEU 16 HB2 LEU 16 -1.453 -1.637 1.188 128 HB3 LEU 16 HB3 LEU 16 -0.718 -1.874 -0.396 129 HG LEU 16 HG LEU 16 1.017 -2.781 1.779 130 HD11 LEU 16 HD11 LEU 16 -1.282 -3.230 2.743 131 HD12 LEU 16 HD12 LEU 16 -0.298 -4.672 2.495 132 HD13 LEU 16 HD13 LEU 16 -1.585 -4.278 1.356 133 HD21 LEU 16 HD21 LEU 16 -0.210 -4.383 -0.475 134 HD22 LEU 16 HD22 LEU 16 1.351 -4.623 0.309 135 HD23 LEU 16 HD23 LEU 16 1.103 -3.239 -0.756 136 H LEU 17 HN LEU 17 0.240 0.120 -1.527 137 HA LEU 17 HA LEU 17 2.682 -0.940 -2.584 138 HB2 LEU 17 HB2 LEU 17 0.484 -0.056 -3.701 139 HB3 LEU 17 HB3 LEU 17 1.278 1.517 -3.627 140 HG LEU 17 HG LEU 17 2.955 -0.678 -4.687 141 HD11 LEU 17 HD11 LEU 17 0.676 -1.171 -5.637 142 HD12 LEU 17 HD12 LEU 17 1.882 -0.752 -6.854 143 HD13 LEU 17 HD13 LEU 17 0.684 0.442 -6.352 144 HD21 LEU 17 HD21 LEU 17 2.329 1.972 -5.980 145 HD22 LEU 17 HD22 LEU 17 3.832 1.048 -6.021 146 HD23 LEU 17 HD23 LEU 17 3.362 1.903 -4.551 147 H LEU 18 HN LEU 18 1.814 2.164 -1.189 148 HA LEU 18 HA LEU 18 4.302 3.530 -1.697 149 HB2 LEU 18 HB2 LEU 18 1.789 4.185 -0.839 150 HB3 LEU 18 HB3 LEU 18 2.678 4.244 0.680 151 HG LEU 18 HG LEU 18 2.688 6.449 -0.397 152 HD11 LEU 18 HD11 LEU 18 5.007 6.892 -0.200 153 HD12 LEU 18 HD12 LEU 18 5.448 5.280 -0.766 154 HD13 LEU 18 HD13 LEU 18 4.738 5.491 0.835 155 HD21 LEU 18 HD21 LEU 18 4.257 5.220 -2.670 156 HD22 LEU 18 HD22 LEU 18 3.536 6.827 -2.585 157 HD23 LEU 18 HD23 LEU 18 2.505 5.404 -2.745 158 H ALA 19 HN ALA 19 3.069 1.549 0.948 159 HA ALA 19 HA ALA 19 5.197 2.007 2.831 160 HB1 ALA 19 HB1 ALA 19 3.621 -0.553 2.512 161 HB2 ALA 19 HB2 ALA 19 2.851 0.927 3.087 162 HB3 ALA 19 HB3 ALA 19 4.178 0.209 4.002 163 H ALA 20 HN ALA 20 4.750 -0.379 0.217 164 HA ALA 20 HA ALA 20 7.074 -1.982 0.763 165 HB1 ALA 20 HB1 ALA 20 5.351 -1.384 -1.647 166 HB2 ALA 20 HB2 ALA 20 5.405 -2.857 -0.678 167 HB3 ALA 20 HB3 ALA 20 6.734 -2.471 -1.771 168 H GLY 21 HN GLY 21 6.563 0.867 -1.343 169 HA2 GLY 21 HA2 GLY 21 9.184 0.979 -2.465 170 HA3 GLY 21 HA3 GLY 21 8.102 2.363 -2.295 171 H VAL 22 HN VAL 22 7.844 2.330 0.548 172 HA VAL 22 HA VAL 22 10.166 3.821 1.354 173 HB VAL 22 HB VAL 22 7.948 2.452 2.922 174 HG11 VAL 22 HG11 VAL 22 8.616 4.423 4.549 175 HG12 VAL 22 HG12 VAL 22 10.175 4.296 3.734 176 HG13 VAL 22 HG13 VAL 22 9.511 2.905 4.590 177 HG21 VAL 22 HG21 VAL 22 6.644 4.241 2.415 178 HG22 VAL 22 HG22 VAL 22 7.800 4.552 1.121 179 HG23 VAL 22 HG23 VAL 22 7.965 5.380 2.670 180 H GLY 23 HN GLY 23 9.198 0.420 1.842 181 HA2 GLY 23 HA2 GLY 23 11.249 -0.331 3.671 182 HA3 GLY 23 HA3 GLY 23 10.435 -1.438 2.565 183 H ILE 24 HN ILE 24 11.181 -0.407 0.095 184 HA ILE 24 HA ILE 24 13.868 -1.429 -0.216 185 HB ILE 24 HB ILE 24 11.825 0.002 -1.923 186 HG12 ILE 24 HG12 ILE 24 12.770 -2.373 -3.106 187 HG13 ILE 24 HG13 ILE 24 12.672 -2.723 -1.380 188 HG21 ILE 24 HG21 ILE 24 13.452 -0.461 -3.860 189 HG22 ILE 24 HG22 ILE 24 14.706 -0.588 -2.627 190 HG23 ILE 24 HG23 ILE 24 13.822 0.924 -2.833 191 HD11 ILE 24 HD11 ILE 24 10.546 -2.971 -2.987 192 HD12 ILE 24 HD12 ILE 24 10.384 -1.256 -2.609 193 HD13 ILE 24 HD13 ILE 24 10.387 -2.449 -1.310 194 H TYR 25 HN TYR 25 12.519 1.864 0.104 195 HA TYR 25 HA TYR 25 14.904 3.306 -0.599 196 HB2 TYR 25 HB2 TYR 25 12.443 4.077 -0.216 197 HB3 TYR 25 HB3 TYR 25 12.906 4.189 1.484 198 HD1 TYR 25 HD1 TYR 25 14.638 5.777 2.224 199 HD2 TYR 25 HD2 TYR 25 13.383 5.583 -1.880 200 HE1 TYR 25 HE1 TYR 25 15.728 7.961 1.787 201 HE2 TYR 25 HE2 TYR 25 14.473 7.767 -2.317 202 HH TYR 25 HH TYR 25 16.700 9.052 -0.749 203 H LEU 26 HN LEU 26 13.932 1.583 2.303 204 HA LEU 26 HA LEU 26 15.992 2.769 4.026 205 HB2 LEU 26 HB2 LEU 26 14.089 0.411 4.207 206 HB3 LEU 26 HB3 LEU 26 15.207 0.832 5.506 207 HG LEU 26 HG LEU 26 13.451 2.985 4.382 208 HD11 LEU 26 HD11 LEU 26 11.997 0.970 4.814 209 HD12 LEU 26 HD12 LEU 26 11.613 2.364 5.823 210 HD13 LEU 26 HD13 LEU 26 12.532 1.015 6.495 211 HD21 LEU 26 HD21 LEU 26 15.267 3.347 6.115 212 HD22 LEU 26 HD22 LEU 26 14.315 2.354 7.219 213 HD23 LEU 26 HD23 LEU 26 13.660 3.875 6.613 214 H LEU 27 HN LEU 27 15.778 0.207 1.681 215 HA LEU 27 HA LEU 27 18.573 -0.635 2.329 216 HB2 LEU 27 HB2 LEU 27 16.588 -2.113 3.183 217 HB3 LEU 27 HB3 LEU 27 16.415 -2.572 1.489 218 HG LEU 27 HG LEU 27 18.920 -3.119 1.534 219 HD11 LEU 27 HD11 LEU 27 18.365 -2.803 4.497 220 HD12 LEU 27 HD12 LEU 27 19.587 -1.965 3.542 221 HD13 LEU 27 HD13 LEU 27 19.748 -3.692 3.861 222 HD21 LEU 27 HD21 LEU 27 17.147 -4.744 3.384 223 HD22 LEU 27 HD22 LEU 27 18.523 -5.334 2.451 224 HD23 LEU 27 HD23 LEU 27 17.057 -4.806 1.624 225 HA PRO 28 HA PRO 28 17.716 -0.182 -2.247 226 HB2 PRO 28 HB2 PRO 28 18.446 2.416 -2.726 227 HB3 PRO 28 HB3 PRO 28 16.797 1.927 -2.299 228 HG2 PRO 28 HG2 PRO 28 18.742 3.402 -0.717 229 HG3 PRO 28 HG3 PRO 28 17.009 3.199 -0.465 230 HD2 PRO 28 HD2 PRO 28 19.191 1.820 0.841 231 HD3 PRO 28 HD3 PRO 28 17.461 1.753 1.198 232 H ASN 29 HN ASN 29 20.395 1.079 -0.300 233 HA ASN 29 HA ASN 29 22.354 0.771 -2.484 234 HB2 ASN 29 HB2 ASN 29 23.887 1.681 -0.819 235 HB3 ASN 29 HB3 ASN 29 22.385 2.603 -0.764 236 HD21 ASN 29 HD21 ASN 29 24.492 0.513 1.078 237 HD22 ASN 29 HD22 ASN 29 23.559 0.487 2.495 238 H ARG 30 HN ARG 30 21.000 -1.218 0.001 239 HA ARG 30 HA ARG 30 21.510 -3.383 0.756 240 HB2 ARG 30 HB2 ARG 30 23.066 -3.279 -1.855 241 HB3 ARG 30 HB3 ARG 30 22.750 -4.758 -0.949 242 HG2 ARG 30 HG2 ARG 30 20.240 -3.914 -1.075 243 HG3 ARG 30 HG3 ARG 30 20.839 -3.025 -2.476 244 HD2 ARG 30 HD2 ARG 30 21.855 -5.274 -3.251 245 HD3 ARG 30 HD3 ARG 30 20.786 -6.019 -2.045 246 HE ARG 30 HE ARG 30 18.939 -4.600 -3.241 247 HH11 ARG 30 HH21 ARG 30 19.430 -7.241 -4.521 248 HH12 ARG 30 HH22 ARG 30 19.729 -6.813 -6.172 249 HH21 ARG 30 HH11 ARG 30 20.327 -3.461 -5.467 250 HH22 ARG 30 HH12 ARG 30 20.239 -4.664 -6.710 Start of MODEL 41 1 HA HIS 1 HA HIS 1 -10.521 10.462 2.769 2 HB2 HIS 1 HB2 HIS 1 -8.821 9.556 5.062 3 HB3 HIS 1 HB3 HIS 1 -10.273 8.623 4.701 4 HD1 HIS 1 HD1 HIS 1 -6.962 8.202 4.057 5 HD2 HIS 1 HD2 HIS 1 -10.181 8.593 1.436 6 HE1 HIS 1 HE1 HIS 1 -6.232 7.170 1.863 7 H SER 2 HN SER 2 -12.665 9.848 3.461 8 HA SER 2 HA SER 2 -13.606 10.945 6.079 9 HB2 SER 2 HB2 SER 2 -15.463 12.062 4.862 10 HB3 SER 2 HB3 SER 2 -13.895 12.667 4.339 11 HG SER 2 HG SER 2 -15.728 10.999 3.019 12 H VAL 3 HN VAL 3 -13.203 8.166 5.142 13 HA VAL 3 HA VAL 3 -14.353 6.106 5.017 14 HB VAL 3 HB VAL 3 -16.423 7.679 6.590 15 HG11 VAL 3 HG11 VAL 3 -17.280 5.523 6.303 16 HG12 VAL 3 HG12 VAL 3 -16.387 5.352 7.814 17 HG13 VAL 3 HG13 VAL 3 -15.682 4.780 6.302 18 HG21 VAL 3 HG21 VAL 3 -14.295 8.189 7.598 19 HG22 VAL 3 HG22 VAL 3 -13.755 6.518 7.444 20 HG23 VAL 3 HG23 VAL 3 -15.033 6.930 8.588 21 H SER 4 HN SER 4 -14.744 7.726 2.709 22 HA SER 4 HA SER 4 -17.534 8.013 2.007 23 HB2 SER 4 HB2 SER 4 -15.686 9.278 0.973 24 HB3 SER 4 HB3 SER 4 -15.018 7.782 0.328 25 HG SER 4 HG SER 4 -16.547 9.217 -0.993 26 H HIS 5 HN HIS 5 -15.178 5.434 1.643 27 HA HIS 5 HA HIS 5 -17.220 3.747 0.238 28 HB2 HIS 5 HB2 HIS 5 -14.200 3.657 0.477 29 HB3 HIS 5 HB3 HIS 5 -15.141 2.371 -0.270 30 HD1 HIS 5 HD1 HIS 5 -13.212 3.790 -2.085 31 HD2 HIS 5 HD2 HIS 5 -17.107 5.159 -1.510 32 HE1 HIS 5 HE1 HIS 5 -13.772 5.222 -4.098 33 H ALA 6 HN ALA 6 -17.169 4.268 3.182 34 HA ALA 6 HA ALA 6 -17.383 3.070 5.198 35 HB1 ALA 6 HB1 ALA 6 -18.896 1.860 3.534 36 HB2 ALA 6 HB2 ALA 6 -18.369 0.899 4.915 37 HB3 ALA 6 HB3 ALA 6 -17.597 0.682 3.345 38 H ARG 7 HN ARG 7 -14.804 3.643 4.853 39 HA ARG 7 HA ARG 7 -12.536 2.896 4.956 40 HB2 ARG 7 HB2 ARG 7 -12.334 1.685 7.183 41 HB3 ARG 7 HB3 ARG 7 -13.252 3.187 7.224 42 HG2 ARG 7 HG2 ARG 7 -15.332 2.038 7.331 43 HG3 ARG 7 HG3 ARG 7 -14.601 0.507 6.848 44 HD2 ARG 7 HD2 ARG 7 -13.253 1.454 9.208 45 HD3 ARG 7 HD3 ARG 7 -15.003 1.454 9.499 46 HE ARG 7 HE ARG 7 -15.058 -0.916 8.889 47 HH11 ARG 7 HH21 ARG 7 -12.656 -0.908 7.065 48 HH12 ARG 7 HH22 ARG 7 -11.486 -1.764 8.016 49 HH21 ARG 7 HH11 ARG 7 -13.250 -1.398 10.992 50 HH22 ARG 7 HH12 ARG 7 -11.825 -2.046 10.250 51 HA PRO 8 HA PRO 8 -13.122 -1.331 3.149 52 HB2 PRO 8 HB2 PRO 8 -12.287 -0.769 0.612 53 HB3 PRO 8 HB3 PRO 8 -13.970 -0.575 1.137 54 HG2 PRO 8 HG2 PRO 8 -11.900 1.469 0.648 55 HG3 PRO 8 HG3 PRO 8 -13.657 1.580 0.508 56 HD2 PRO 8 HD2 PRO 8 -12.089 2.550 2.619 57 HD3 PRO 8 HD3 PRO 8 -13.856 2.382 2.607 58 H ARG 9 HN ARG 9 -11.344 -2.675 2.075 59 HA ARG 9 HA ARG 9 -8.648 -1.719 2.976 60 HB2 ARG 9 HB2 ARG 9 -8.149 -4.085 3.304 61 HB3 ARG 9 HB3 ARG 9 -9.678 -3.713 4.097 62 HG2 ARG 9 HG2 ARG 9 -10.666 -4.430 1.722 63 HG3 ARG 9 HG3 ARG 9 -9.157 -5.339 1.642 64 HD2 ARG 9 HD2 ARG 9 -9.703 -6.329 3.894 65 HD3 ARG 9 HD3 ARG 9 -11.289 -5.537 3.798 66 HE ARG 9 HE ARG 9 -10.314 -7.560 1.813 67 HH11 ARG 9 HH11 ARG 9 -12.505 -5.799 0.829 68 HH12 ARG 9 HH12 ARG 9 -13.926 -6.684 1.269 69 HH21 ARG 9 HH21 ARG 9 -12.263 -8.732 3.533 70 HH22 ARG 9 HH22 ARG 9 -13.788 -8.353 2.807 71 H TRP 10 HN TRP 10 -10.459 -3.083 0.259 72 HA TRP 10 HA TRP 10 -8.271 -3.756 -1.461 73 HB2 TRP 10 HB2 TRP 10 -10.661 -4.419 -1.724 74 HB3 TRP 10 HB3 TRP 10 -11.064 -2.748 -2.112 75 HD1 TRP 10 HD1 TRP 10 -11.038 -2.170 -4.580 76 HE1 TRP 10 HE1 TRP 10 -9.986 -3.180 -6.705 77 HE3 TRP 10 HE3 TRP 10 -8.323 -5.966 -2.504 78 HZ2 TRP 10 HZ2 TRP 10 -8.227 -5.316 -7.430 79 HZ3 TRP 10 HZ3 TRP 10 -6.970 -7.472 -3.934 80 HH2 TRP 10 HH2 TRP 10 -6.918 -7.152 -6.393 81 H PHE 11 HN PHE 11 -9.907 -0.681 -0.787 82 HA PHE 11 HA PHE 11 -8.685 0.797 -2.975 83 HB2 PHE 11 HB2 PHE 11 -10.290 1.355 -0.505 84 HB3 PHE 11 HB3 PHE 11 -9.474 2.706 -1.291 85 HD1 PHE 11 HD2 PHE 11 -10.084 3.415 -3.553 86 HD2 PHE 11 HD1 PHE 11 -12.079 0.126 -1.639 87 HE1 PHE 11 HE2 PHE 11 -11.867 3.495 -5.271 88 HE2 PHE 11 HE1 PHE 11 -13.862 0.207 -3.359 89 HZ PHE 11 HZ PHE 11 -13.757 1.893 -5.176 90 H TRP 12 HN TRP 12 -7.679 -0.081 0.275 91 HA TRP 12 HA TRP 12 -5.638 1.994 0.549 92 HB2 TRP 12 HB2 TRP 12 -6.255 -0.611 1.964 93 HB3 TRP 12 HB3 TRP 12 -4.970 0.476 2.475 94 HD1 TRP 12 HD1 TRP 12 -6.970 0.114 4.611 95 HE1 TRP 12 HE1 TRP 12 -8.684 1.903 5.309 96 HE3 TRP 12 HE3 TRP 12 -7.089 2.967 0.357 97 HZ2 TRP 12 HZ2 TRP 12 -9.938 4.221 4.225 98 HZ3 TRP 12 HZ3 TRP 12 -8.555 4.954 0.230 99 HH2 TRP 12 HH2 TRP 12 -9.979 5.587 2.155 100 H PHE 13 HN PHE 13 -5.699 -0.398 -1.675 101 HA PHE 13 HA PHE 13 -3.235 -1.804 -1.343 102 HB2 PHE 13 HB2 PHE 13 -3.634 -2.525 -3.563 103 HB3 PHE 13 HB3 PHE 13 -5.246 -2.162 -2.955 104 HD1 PHE 13 HD2 PHE 13 -6.399 -0.058 -3.624 105 HD2 PHE 13 HD1 PHE 13 -2.602 -1.187 -5.282 106 HE1 PHE 13 HE2 PHE 13 -6.705 1.596 -5.444 107 HE2 PHE 13 HE1 PHE 13 -2.907 0.468 -7.103 108 HZ PHE 13 HZ PHE 13 -4.959 1.859 -7.183 109 H SER 14 HN SER 14 -3.984 1.371 -2.632 110 HA SER 14 HA SER 14 -1.410 1.923 -3.823 111 HB2 SER 14 HB2 SER 14 -3.880 3.090 -3.792 112 HB3 SER 14 HB3 SER 14 -3.012 4.139 -2.675 113 HG SER 14 HG SER 14 -2.595 3.652 -5.400 114 H LEU 15 HN LEU 15 -2.844 2.426 -0.656 115 HA LEU 15 HA LEU 15 -0.717 3.909 0.581 116 HB2 LEU 15 HB2 LEU 15 -3.060 3.632 1.420 117 HB3 LEU 15 HB3 LEU 15 -2.723 1.933 1.742 118 HG LEU 15 HG LEU 15 -0.690 3.645 2.926 119 HD11 LEU 15 HD11 LEU 15 -3.586 4.102 3.697 120 HD12 LEU 15 HD12 LEU 15 -2.436 5.310 3.123 121 HD13 LEU 15 HD13 LEU 15 -2.216 4.565 4.706 122 HD21 LEU 15 HD21 LEU 15 -1.221 2.301 4.896 123 HD22 LEU 15 HD22 LEU 15 -1.181 1.254 3.478 124 HD23 LEU 15 HD23 LEU 15 -2.728 1.760 4.157 125 H LEU 16 HN LEU 16 -1.387 0.429 0.235 126 HA LEU 16 HA LEU 16 0.780 -0.559 1.833 127 HB2 LEU 16 HB2 LEU 16 -1.228 -1.831 1.069 128 HB3 LEU 16 HB3 LEU 16 -0.627 -1.739 -0.585 129 HG LEU 16 HG LEU 16 1.395 -2.771 1.254 130 HD11 LEU 16 HD11 LEU 16 -1.234 -4.257 0.959 131 HD12 LEU 16 HD12 LEU 16 -0.510 -3.688 2.463 132 HD13 LEU 16 HD13 LEU 16 0.258 -4.986 1.551 133 HD21 LEU 16 HD21 LEU 16 1.383 -2.867 -1.267 134 HD22 LEU 16 HD22 LEU 16 0.047 -4.015 -1.165 135 HD23 LEU 16 HD23 LEU 16 1.624 -4.437 -0.498 136 H LEU 17 HN LEU 17 0.510 0.280 -1.581 137 HA LEU 17 HA LEU 17 3.093 -0.616 -2.433 138 HB2 LEU 17 HB2 LEU 17 0.961 0.204 -3.721 139 HB3 LEU 17 HB3 LEU 17 1.679 1.804 -3.536 140 HG LEU 17 HG LEU 17 3.834 0.723 -4.487 141 HD11 LEU 17 HD11 LEU 17 3.233 -1.177 -6.081 142 HD12 LEU 17 HD12 LEU 17 1.724 -1.332 -5.181 143 HD13 LEU 17 HD13 LEU 17 3.266 -1.598 -4.369 144 HD21 LEU 17 HD21 LEU 17 1.417 0.972 -6.307 145 HD22 LEU 17 HD22 LEU 17 3.107 1.186 -6.764 146 HD23 LEU 17 HD23 LEU 17 2.333 2.343 -5.681 147 H LEU 18 HN LEU 18 1.950 2.357 -0.955 148 HA LEU 18 HA LEU 18 4.380 3.885 -1.241 149 HB2 LEU 18 HB2 LEU 18 1.898 4.537 -0.671 150 HB3 LEU 18 HB3 LEU 18 2.390 4.219 0.992 151 HG LEU 18 HG LEU 18 4.151 5.952 -0.703 152 HD11 LEU 18 HD11 LEU 18 1.797 6.770 -1.030 153 HD12 LEU 18 HD12 LEU 18 2.835 7.927 -0.197 154 HD13 LEU 18 HD13 LEU 18 1.671 6.968 0.718 155 HD21 LEU 18 HD21 LEU 18 3.978 7.086 1.757 156 HD22 LEU 18 HD22 LEU 18 5.118 5.796 1.372 157 HD23 LEU 18 HD23 LEU 18 3.591 5.416 2.168 158 H ALA 19 HN ALA 19 3.107 1.716 1.240 159 HA ALA 19 HA ALA 19 5.160 2.173 3.222 160 HB1 ALA 19 HB1 ALA 19 4.298 -0.197 3.916 161 HB2 ALA 19 HB2 ALA 19 3.146 0.014 2.596 162 HB3 ALA 19 HB3 ALA 19 3.158 1.149 3.946 163 H ALA 20 HN ALA 20 4.833 -0.111 0.507 164 HA ALA 20 HA ALA 20 7.168 -1.699 1.066 165 HB1 ALA 20 HB1 ALA 20 5.560 -2.568 -0.437 166 HB2 ALA 20 HB2 ALA 20 6.892 -2.102 -1.497 167 HB3 ALA 20 HB3 ALA 20 5.474 -1.062 -1.352 168 H GLY 21 HN GLY 21 6.662 1.271 -0.851 169 HA2 GLY 21 HA2 GLY 21 9.301 1.425 -1.961 170 HA3 GLY 21 HA3 GLY 21 8.196 2.788 -1.773 171 H VAL 22 HN VAL 22 7.896 2.669 1.071 172 HA VAL 22 HA VAL 22 10.152 4.201 1.954 173 HB VAL 22 HB VAL 22 8.007 2.664 3.470 174 HG11 VAL 22 HG11 VAL 22 9.896 4.864 4.366 175 HG12 VAL 22 HG12 VAL 22 9.833 3.212 4.981 176 HG13 VAL 22 HG13 VAL 22 8.497 4.319 5.291 177 HG21 VAL 22 HG21 VAL 22 7.866 5.599 3.288 178 HG22 VAL 22 HG22 VAL 22 6.602 4.397 3.034 179 HG23 VAL 22 HG23 VAL 22 7.719 4.790 1.728 180 H GLY 23 HN GLY 23 9.269 0.770 2.477 181 HA2 GLY 23 HA2 GLY 23 11.524 0.123 4.139 182 HA3 GLY 23 HA3 GLY 23 10.549 -1.044 3.245 183 H ILE 24 HN ILE 24 10.968 -0.162 0.615 184 HA ILE 24 HA ILE 24 13.530 -1.328 -0.008 185 HB ILE 24 HB ILE 24 11.447 0.266 -1.535 186 HG12 ILE 24 HG12 ILE 24 12.323 -2.625 -1.800 187 HG13 ILE 24 HG13 ILE 24 11.011 -2.109 -0.741 188 HG21 ILE 24 HG21 ILE 24 13.464 0.757 -2.721 189 HG22 ILE 24 HG22 ILE 24 12.710 -0.575 -3.598 190 HG23 ILE 24 HG23 ILE 24 14.069 -0.887 -2.516 191 HD11 ILE 24 HD11 ILE 24 9.972 -2.763 -2.793 192 HD12 ILE 24 HD12 ILE 24 11.158 -1.881 -3.755 193 HD13 ILE 24 HD13 ILE 24 9.970 -1.000 -2.794 194 H TYR 25 HN TYR 25 12.428 2.057 0.346 195 HA TYR 25 HA TYR 25 14.800 3.304 -0.705 196 HB2 TYR 25 HB2 TYR 25 12.471 4.279 -0.103 197 HB3 TYR 25 HB3 TYR 25 13.100 4.396 1.542 198 HD1 TYR 25 HD1 TYR 25 13.425 5.622 -1.918 199 HD2 TYR 25 HD2 TYR 25 14.941 5.911 2.091 200 HE1 TYR 25 HE1 TYR 25 14.627 7.705 -2.523 201 HE2 TYR 25 HE2 TYR 25 16.141 7.994 1.486 202 HH TYR 25 HH TYR 25 17.020 8.903 -1.163 203 H LEU 26 HN LEU 26 14.044 1.801 2.381 204 HA LEU 26 HA LEU 26 16.359 2.890 3.807 205 HB2 LEU 26 HB2 LEU 26 14.044 1.132 4.263 206 HB3 LEU 26 HB3 LEU 26 15.495 0.573 5.091 207 HG LEU 26 HG LEU 26 14.224 2.094 6.540 208 HD11 LEU 26 HD11 LEU 26 16.569 3.735 5.637 209 HD12 LEU 26 HD12 LEU 26 16.849 2.116 6.282 210 HD13 LEU 26 HD13 LEU 26 16.050 3.335 7.275 211 HD21 LEU 26 HD21 LEU 26 14.016 4.499 5.868 212 HD22 LEU 26 HD22 LEU 26 13.075 3.415 4.843 213 HD23 LEU 26 HD23 LEU 26 14.608 4.066 4.264 214 H LEU 27 HN LEU 27 15.649 0.174 1.709 215 HA LEU 27 HA LEU 27 18.482 -0.765 1.974 216 HB2 LEU 27 HB2 LEU 27 16.518 -2.074 3.146 217 HB3 LEU 27 HB3 LEU 27 16.164 -2.629 1.510 218 HG LEU 27 HG LEU 27 18.775 -3.117 1.468 219 HD11 LEU 27 HD11 LEU 27 19.052 -2.098 3.765 220 HD12 LEU 27 HD12 LEU 27 19.671 -3.743 3.619 221 HD13 LEU 27 HD13 LEU 27 18.121 -3.451 4.408 222 HD21 LEU 27 HD21 LEU 27 18.290 -5.413 2.136 223 HD22 LEU 27 HD22 LEU 27 16.911 -4.771 1.241 224 HD23 LEU 27 HD23 LEU 27 16.844 -4.887 3.000 225 HA PRO 28 HA PRO 28 17.070 -0.447 -2.462 226 HB2 PRO 28 HB2 PRO 28 17.958 2.050 -3.160 227 HB3 PRO 28 HB3 PRO 28 16.348 1.737 -2.487 228 HG2 PRO 28 HG2 PRO 28 18.617 3.077 -1.263 229 HG3 PRO 28 HG3 PRO 28 16.928 3.036 -0.756 230 HD2 PRO 28 HD2 PRO 28 19.164 1.498 0.268 231 HD3 PRO 28 HD3 PRO 28 17.515 1.623 0.898 232 H ASN 29 HN ASN 29 20.078 0.318 -0.845 233 HA ASN 29 HA ASN 29 21.698 -0.067 -3.303 234 HB2 ASN 29 HB2 ASN 29 22.422 0.500 -0.408 235 HB3 ASN 29 HB3 ASN 29 23.544 0.548 -1.767 236 HD21 ASN 29 HD21 ASN 29 22.381 2.745 0.122 237 HD22 ASN 29 HD22 ASN 29 21.859 3.946 -0.958 238 H ARG 30 HN ARG 30 20.679 -1.849 -0.451 239 HA ARG 30 HA ARG 30 22.168 -4.233 -1.451 240 HB2 ARG 30 HB2 ARG 30 22.989 -4.634 0.860 241 HB3 ARG 30 HB3 ARG 30 23.568 -3.092 0.231 242 HG2 ARG 30 HG2 ARG 30 22.110 -1.845 1.579 243 HG3 ARG 30 HG3 ARG 30 21.011 -3.203 1.816 244 HD2 ARG 30 HD2 ARG 30 22.147 -3.081 3.888 245 HD3 ARG 30 HD3 ARG 30 23.069 -4.321 3.015 246 HE ARG 30 HE ARG 30 24.053 -1.636 2.468 247 HH11 ARG 30 HH11 ARG 30 24.201 -1.620 5.396 248 HH12 ARG 30 HH12 ARG 30 25.706 -2.408 5.727 249 HH21 ARG 30 HH21 ARG 30 25.965 -3.817 2.560 250 HH22 ARG 30 HH22 ARG 30 26.709 -3.657 4.116
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