NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
518987 | 2kn0 | 17247 | cing | 1-original | 26 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 5 HT1 SER 5 -15.281 -10.060 1.523 2 H2 SER 5 HT2 SER 5 -16.741 -9.693 0.700 3 H3 SER 5 HT3 SER 5 -16.679 -9.625 2.414 4 HA SER 5 HA SER 5 -16.641 -7.455 1.378 5 HB2 SER 5 HB2 SER 5 -15.532 -8.115 3.592 6 HB3 SER 5 HB1 SER 5 -14.006 -8.094 2.708 7 HG SER 5 HG SER 5 -15.734 -5.972 3.335 8 H GLN 6 HN GLN 6 -15.674 -5.985 0.004 9 HA GLN 6 HA GLN 6 -13.851 -7.149 -1.969 10 HB2 GLN 6 HB2 GLN 6 -15.803 -4.884 -1.998 11 HB3 GLN 6 HB1 GLN 6 -14.460 -4.864 -3.133 12 HG2 GLN 6 HG2 GLN 6 -15.258 -6.624 -4.331 13 HG3 GLN 6 HG1 GLN 6 -16.069 -7.346 -2.942 14 HE21 GLN 6 HE21 GLN 6 -17.037 -6.767 -5.660 15 HE22 GLN 6 HE22 GLN 6 -18.442 -5.784 -5.454 16 H GLY 7 HN GLY 7 -12.957 -6.253 0.684 17 HA2 GLY 7 HA2 GLY 7 -11.170 -4.048 -0.139 18 HA3 GLY 7 HA1 GLY 7 -11.699 -4.315 1.515 19 H GLU 8 HN GLU 8 -10.537 -6.700 -0.828 20 HA GLU 8 HA GLU 8 -8.390 -7.370 1.063 21 HB2 GLU 8 HB2 GLU 8 -8.382 -9.593 0.081 22 HB3 GLU 8 HB1 GLU 8 -10.009 -9.173 0.598 23 HG2 GLU 8 HG2 GLU 8 -10.703 -8.766 -1.638 24 HG3 GLU 8 HG1 GLU 8 -9.048 -8.879 -2.234 25 H CYS 9 HN CYS 9 -8.158 -5.201 -0.741 26 HA CYS 9 HA CYS 9 -6.645 -5.968 -3.036 27 HB2 CYS 9 HB2 CYS 9 -7.056 -3.328 -1.633 28 HB3 CYS 9 HB1 CYS 9 -6.057 -3.490 -3.072 29 HA PRO 10 HA PRO 10 -2.847 -6.820 -0.839 30 HB2 PRO 10 HB2 PRO 10 -1.223 -6.919 -3.040 31 HB3 PRO 10 HB1 PRO 10 -2.262 -8.251 -2.521 32 HG2 PRO 10 HG2 PRO 10 -2.741 -6.188 -4.636 33 HG3 PRO 10 HG1 PRO 10 -3.061 -7.932 -4.681 34 HD2 PRO 10 HD2 PRO 10 -5.021 -6.149 -4.239 35 HD3 PRO 10 HD1 PRO 10 -5.005 -7.734 -3.438 36 H GLU 11 HN GLU 11 -0.476 -5.977 -1.069 37 HA GLU 11 HA GLU 11 -0.511 -3.213 -0.519 38 HB2 GLU 11 HB2 GLU 11 1.431 -5.385 -0.491 39 HB3 GLU 11 HB1 GLU 11 2.145 -3.863 -1.005 40 HG2 GLU 11 HG2 GLU 11 1.096 -2.837 1.057 41 HG3 GLU 11 HG1 GLU 11 0.767 -4.487 1.585 42 H GLY 12 HN GLY 12 1.472 -1.924 -1.639 43 HA2 GLY 12 HA2 GLY 12 1.947 -0.624 -3.480 44 HA3 GLY 12 HA1 GLY 12 2.100 -2.170 -4.304 45 H ARG 13 HN ARG 13 -0.871 -0.991 -2.892 46 HA ARG 13 HA ARG 13 -1.968 0.067 -5.304 47 HB2 ARG 13 HB2 ARG 13 -2.754 -1.790 -6.241 48 HB3 ARG 13 HB1 ARG 13 -1.993 -2.734 -4.969 49 HG2 ARG 13 HG2 ARG 13 -4.119 -2.075 -3.614 50 HG3 ARG 13 HG1 ARG 13 -4.796 -1.807 -5.220 51 HD2 ARG 13 HD2 ARG 13 -3.368 -4.294 -5.188 52 HD3 ARG 13 HD1 ARG 13 -4.509 -4.259 -3.847 53 HE ARG 13 HE ARG 13 -6.223 -4.418 -5.352 54 HH11 ARG 13 HH11 ARG 13 -3.317 -3.500 -7.050 55 HH12 ARG 13 HH12 ARG 13 -4.032 -3.662 -8.619 56 HH21 ARG 13 HH21 ARG 13 -7.167 -4.632 -7.414 57 HH22 ARG 13 HH22 ARG 13 -6.218 -4.304 -8.826 58 H ALA 14 HN ALA 14 -4.460 0.324 -5.033 59 HA ALA 14 HA ALA 14 -5.312 0.395 -2.282 60 HB1 ALA 14 HB1 ALA 14 -4.523 2.810 -3.767 61 HB2 ALA 14 HB2 ALA 14 -4.526 2.490 -2.033 62 HB3 ALA 14 HB3 ALA 14 -6.029 2.910 -2.854 63 H TYR 15 HN TYR 15 -7.588 1.219 -2.085 64 HA TYR 15 HA TYR 15 -9.155 0.667 -4.513 65 HB2 TYR 15 HB2 TYR 15 -9.368 -1.278 -3.105 66 HB3 TYR 15 HB1 TYR 15 -9.687 -0.281 -1.691 67 HD1 TYR 15 HD2 TYR 15 -11.089 -1.461 -4.901 68 HD2 TYR 15 HD1 TYR 15 -11.883 0.501 -1.211 69 HE1 TYR 15 HE2 TYR 15 -13.502 -1.628 -5.339 70 HE2 TYR 15 HE1 TYR 15 -14.299 0.339 -1.638 71 HH TYR 15 HH TYR 15 -15.605 -1.623 -4.093 72 H SER 16 HN SER 16 -10.472 2.299 -5.056 73 HA SER 16 HA SER 16 -10.906 4.422 -3.093 74 HB2 SER 16 HB2 SER 16 -11.996 5.148 -5.614 75 HB3 SER 16 HB1 SER 16 -10.538 5.772 -4.839 76 HG SER 16 HG SER 16 -9.392 4.032 -5.804 77 H GLN 17 HN GLN 17 -12.673 4.243 -1.899 78 HA GLN 17 HA GLN 17 -14.915 2.685 -2.568 79 HB2 GLN 17 HB2 GLN 17 -14.346 4.742 -0.470 80 HB3 GLN 17 HB1 GLN 17 -15.990 4.157 -0.685 81 HG2 GLN 17 HG2 GLN 17 -13.983 2.039 -0.522 82 HG3 GLN 17 HG1 GLN 17 -14.112 3.031 0.930 83 HE21 GLN 17 HE21 GLN 17 -15.009 1.419 2.169 84 HE22 GLN 17 HE22 GLN 17 -16.616 0.831 1.927 85 H ASP 18 HN ASP 18 -14.101 6.007 -3.135 86 HA ASP 18 HA ASP 18 -16.671 6.980 -3.760 87 HB2 ASP 18 HB2 ASP 18 -14.497 8.301 -3.342 88 HB3 ASP 18 HB1 ASP 18 -14.140 7.995 -5.039 89 H LEU 19 HN LEU 19 -14.029 5.906 -5.893 90 HA LEU 19 HA LEU 19 -15.638 5.974 -8.233 91 HB2 LEU 19 HB2 LEU 19 -12.899 5.035 -7.551 92 HB3 LEU 19 HB1 LEU 19 -13.625 4.447 -9.034 93 HG LEU 19 HG LEU 19 -13.650 7.384 -8.552 94 HD11 LEU 19 HD11 LEU 19 -11.446 7.751 -8.874 95 HD12 LEU 19 HD12 LEU 19 -11.239 6.310 -9.870 96 HD13 LEU 19 HD13 LEU 19 -11.304 6.166 -8.114 97 HD21 LEU 19 HD21 LEU 19 -13.902 7.516 -10.803 98 HD22 LEU 19 HD22 LEU 19 -14.547 5.892 -10.568 99 HD23 LEU 19 HD23 LEU 19 -12.884 6.110 -11.112 100 H GLY 20 HN GLY 20 -15.028 3.643 -5.772 101 HA2 GLY 20 HA2 GLY 20 -16.069 1.631 -5.350 102 HA3 GLY 20 HA1 GLY 20 -17.077 1.914 -6.762 103 H LYS 21 HN LYS 21 -13.551 1.539 -6.382 104 HA LYS 21 HA LYS 21 -13.451 -1.063 -7.479 105 HB2 LYS 21 HB2 LYS 21 -12.344 -0.406 -9.659 106 HB3 LYS 21 HB1 LYS 21 -14.079 -0.138 -9.572 107 HG2 LYS 21 HG2 LYS 21 -13.450 2.261 -8.870 108 HG3 LYS 21 HG1 LYS 21 -11.861 1.865 -9.528 109 HD2 LYS 21 HD2 LYS 21 -14.038 1.097 -11.303 110 HD3 LYS 21 HD1 LYS 21 -14.021 2.827 -10.952 111 HE2 LYS 21 HE2 LYS 21 -11.757 1.174 -12.062 112 HE3 LYS 21 HE1 LYS 21 -12.691 2.404 -12.914 113 HZ1 LYS 21 HZ1 LYS 21 -10.544 2.717 -10.970 114 HZ2 LYS 21 HZ2 LYS 21 -11.806 3.840 -10.886 115 HZ3 LYS 21 HZ3 LYS 21 -10.929 3.661 -12.320 116 H CYS 22 HN CYS 22 -11.292 -1.871 -7.642 117 HA CYS 22 HA CYS 22 -9.436 -0.322 -6.026 118 HB2 CYS 22 HB2 CYS 22 -10.010 -2.869 -5.757 119 HB3 CYS 22 HB1 CYS 22 -8.806 -3.067 -7.026 120 H MET 23 HN MET 23 -7.401 0.248 -6.619 121 HA MET 23 HA MET 23 -6.617 -0.151 -9.416 122 HB2 MET 23 HB2 MET 23 -5.688 2.407 -8.770 123 HB3 MET 23 HB1 MET 23 -6.992 2.011 -9.874 124 HG2 MET 23 HG2 MET 23 -7.606 2.202 -6.992 125 HG3 MET 23 HG1 MET 23 -7.266 3.685 -7.873 126 HE1 MET 23 HE1 MET 23 -8.965 5.028 -8.716 127 HE2 MET 23 HE2 MET 23 -10.369 4.520 -9.654 128 HE3 MET 23 HE3 MET 23 -8.744 4.261 -10.288 129 H GLU 24 HN GLU 24 -4.268 1.460 -9.175 130 HA GLU 24 HA GLU 24 -2.704 -0.319 -7.442 131 HB2 GLU 24 HB2 GLU 24 -0.771 0.316 -8.789 132 HB3 GLU 24 HB1 GLU 24 -2.063 -0.316 -9.810 133 HG2 GLU 24 HG2 GLU 24 -2.698 1.965 -10.384 134 HG3 GLU 24 HG1 GLU 24 -1.404 2.572 -9.351 135 H CYS 25 HN CYS 25 -0.776 0.597 -6.449 136 HA CYS 25 HA CYS 25 -1.407 3.136 -5.162 137 HB2 CYS 25 HB2 CYS 25 -0.798 1.227 -3.735 138 HB3 CYS 25 HB1 CYS 25 0.759 1.114 -4.546 139 H SER 26 HN SER 26 0.825 1.732 -7.410 140 HA SER 26 HA SER 26 2.909 3.577 -7.321 141 HB2 SER 26 HB2 SER 26 3.100 1.570 -8.666 142 HB3 SER 26 HB1 SER 26 1.749 2.073 -9.682 143 HG SER 26 HG SER 26 3.670 2.567 -10.724 144 H VAL 27 HN VAL 27 -0.357 3.901 -8.389 145 HA VAL 27 HA VAL 27 -0.018 6.083 -10.159 146 HB VAL 27 HB VAL 27 -2.402 5.164 -8.562 147 HG11 VAL 27 HG11 VAL 27 -3.132 7.292 -8.820 148 HG12 VAL 27 HG12 VAL 27 -3.522 6.718 -10.441 149 HG13 VAL 27 HG13 VAL 27 -2.034 7.622 -10.161 150 HG21 VAL 27 HG21 VAL 27 -2.965 3.922 -10.346 151 HG22 VAL 27 HG22 VAL 27 -1.261 4.079 -10.773 152 HG23 VAL 27 HG23 VAL 27 -2.454 5.158 -11.495 153 H CYS 28 HN CYS 28 -0.337 5.838 -6.705 154 HA CYS 28 HA CYS 28 -0.757 8.616 -6.238 155 HB2 CYS 28 HB2 CYS 28 0.286 6.551 -4.294 156 HB3 CYS 28 HB1 CYS 28 -0.452 8.098 -3.894 157 H LYS 29 HN LYS 29 0.999 9.379 -7.653 158 HA LYS 29 HA LYS 29 3.621 9.276 -6.312 159 HB2 LYS 29 HB2 LYS 29 2.845 9.394 -9.197 160 HB3 LYS 29 HB1 LYS 29 4.372 10.107 -8.693 161 HG2 LYS 29 HG2 LYS 29 3.746 7.333 -7.824 162 HG3 LYS 29 HG1 LYS 29 4.224 7.613 -9.499 163 HD2 LYS 29 HD2 LYS 29 6.303 8.566 -8.828 164 HD3 LYS 29 HD1 LYS 29 5.803 8.613 -7.136 165 HE2 LYS 29 HE2 LYS 29 5.740 6.164 -7.094 166 HE3 LYS 29 HE1 LYS 29 6.248 6.124 -8.782 167 HZ1 LYS 29 HZ1 LYS 29 8.271 5.936 -7.847 168 HZ2 LYS 29 HZ2 LYS 29 7.806 6.655 -6.389 169 HZ3 LYS 29 HZ3 LYS 29 8.173 7.621 -7.728 170 H ASN 30 HN ASN 30 2.365 11.494 -8.779 171 HA ASN 30 HA ASN 30 3.027 13.722 -6.974 172 HB2 ASN 30 HB2 ASN 30 2.847 13.688 -9.994 173 HB3 ASN 30 HB1 ASN 30 3.260 15.090 -9.012 174 HD21 ASN 30 HD21 ASN 30 4.773 13.650 -11.088 175 HD22 ASN 30 HD22 ASN 30 6.268 13.205 -10.345 176 H SER 31 HN SER 31 0.888 13.350 -9.801 177 HA SER 31 HA SER 31 -0.974 15.260 -9.046 178 HB2 SER 31 HB2 SER 31 -0.664 13.711 -11.234 179 HB3 SER 31 HB1 SER 31 -2.037 12.896 -10.486 180 HG SER 31 HG SER 31 -2.373 14.802 -11.996 181 H GLU 32 HN GLU 32 -1.886 15.285 -7.082 182 HA GLU 32 HA GLU 32 -2.908 12.801 -5.933 183 HB2 GLU 32 HB2 GLU 32 -1.531 14.244 -4.503 184 HB3 GLU 32 HB1 GLU 32 -2.670 15.564 -4.729 185 HG2 GLU 32 HG2 GLU 32 -4.042 14.792 -3.158 186 HG3 GLU 32 HG1 GLU 32 -3.939 13.137 -3.757 187 H LYS 33 HN LYS 33 -4.895 12.262 -6.521 188 HA LYS 33 HA LYS 33 -7.083 14.065 -6.061 189 HB2 LYS 33 HB2 LYS 33 -7.999 13.884 -8.367 190 HB3 LYS 33 HB1 LYS 33 -6.513 14.819 -8.279 191 HG2 LYS 33 HG2 LYS 33 -5.678 13.544 -9.881 192 HG3 LYS 33 HG1 LYS 33 -5.718 12.179 -8.763 193 HD2 LYS 33 HD2 LYS 33 -7.972 11.625 -9.486 194 HD3 LYS 33 HD1 LYS 33 -7.995 13.030 -10.553 195 HE2 LYS 33 HE2 LYS 33 -5.763 11.113 -10.893 196 HE3 LYS 33 HE1 LYS 33 -7.364 10.573 -11.396 197 HZ1 LYS 33 HZ1 LYS 33 -6.132 11.627 -13.204 198 HZ2 LYS 33 HZ2 LYS 33 -6.036 13.065 -12.318 199 HZ3 LYS 33 HZ3 LYS 33 -7.541 12.489 -12.833 200 H SER 34 HN SER 34 -6.295 11.609 -4.954 201 HA SER 34 HA SER 34 -8.669 10.023 -5.548 202 HB2 SER 34 HB2 SER 34 -5.854 8.920 -5.617 203 HB3 SER 34 HB1 SER 34 -7.304 7.917 -5.540 204 HG SER 34 HG SER 34 -7.945 9.136 -7.508 205 H ASP 35 HN ASP 35 -9.613 9.282 -3.751 206 HA ASP 35 HA ASP 35 -8.286 9.755 -1.204 207 HB2 ASP 35 HB2 ASP 35 -10.759 10.338 -1.831 208 HB3 ASP 35 HB1 ASP 35 -11.061 8.641 -1.468 209 H PHE 36 HN PHE 36 -7.897 7.393 -3.233 210 HA PHE 36 HA PHE 36 -8.384 5.165 -1.411 211 HB2 PHE 36 HB2 PHE 36 -8.350 3.773 -3.248 212 HB3 PHE 36 HB1 PHE 36 -8.912 5.256 -3.999 213 HD1 PHE 36 HD1 PHE 36 -6.333 6.745 -4.192 214 HD2 PHE 36 HD2 PHE 36 -7.293 2.678 -4.972 215 HE1 PHE 36 HE1 PHE 36 -4.444 6.601 -5.764 216 HE2 PHE 36 HE2 PHE 36 -5.409 2.524 -6.539 217 HZ PHE 36 HZ PHE 36 -3.984 4.481 -6.933 218 H CYS 37 HN CYS 37 -5.833 7.208 -2.362 219 HA CYS 37 HA CYS 37 -3.683 5.430 -2.126 220 HB2 CYS 37 HB2 CYS 37 -3.807 8.375 -1.451 221 HB3 CYS 37 HB1 CYS 37 -2.320 7.446 -1.606 222 H GLN 38 HN GLN 38 -5.971 5.955 0.128 223 HA GLN 38 HA GLN 38 -4.163 5.898 2.407 224 HB2 GLN 38 HB2 GLN 38 -7.012 5.520 2.950 225 HB3 GLN 38 HB1 GLN 38 -5.891 6.683 3.640 226 HG2 GLN 38 HG2 GLN 38 -7.232 6.942 0.963 227 HG3 GLN 38 HG1 GLN 38 -7.773 7.724 2.449 228 HE21 GLN 38 HE21 GLN 38 -5.778 7.946 -0.258 229 HE22 GLN 38 HE22 GLN 38 -4.895 9.360 0.195 230 H ASN 39 HN ASN 39 -5.708 3.807 0.282 231 HA ASN 39 HA ASN 39 -6.081 1.636 2.150 232 HB2 ASN 39 HB2 ASN 39 -6.829 2.188 -0.545 233 HB3 ASN 39 HB1 ASN 39 -5.928 0.674 -0.529 234 HD21 ASN 39 HD21 ASN 39 -8.888 2.168 0.056 235 HD22 ASN 39 HD22 ASN 39 -9.705 0.828 0.780 236 H CYS 40 HN CYS 40 -3.782 2.557 -0.304 237 HA CYS 40 HA CYS 40 -2.067 0.454 -0.470 238 HB2 CYS 40 HB2 CYS 40 -1.857 2.595 -1.704 239 HB3 CYS 40 HB1 CYS 40 -1.261 3.360 -0.236 240 HA PRO 41 HA PRO 41 -0.778 0.406 3.886 241 HB2 PRO 41 HB2 PRO 41 -0.527 -2.238 4.148 242 HB3 PRO 41 HB1 PRO 41 -2.119 -1.472 4.094 243 HG2 PRO 41 HG2 PRO 41 -0.671 -2.984 1.975 244 HG3 PRO 41 HG1 PRO 41 -2.403 -2.942 2.341 245 HD2 PRO 41 HD2 PRO 41 -1.106 -1.488 0.327 246 HD3 PRO 41 HD1 PRO 41 -2.740 -1.185 0.945 247 H SER 42 HN SER 42 1.196 -0.122 4.947 248 HA SER 42 HA SER 42 3.410 -0.879 3.161 249 HB2 SER 42 HB2 SER 42 4.840 0.778 4.340 250 HB3 SER 42 HB1 SER 42 3.508 1.534 3.465 251 HG SER 42 HG SER 42 4.094 1.745 6.035 252 H LYS 43 HN LYS 43 1.871 -2.467 5.060 253 HA LYS 43 HA LYS 43 3.185 -2.836 7.500 254 HB2 LYS 43 HB2 LYS 43 2.187 -5.149 7.409 255 HB3 LYS 43 HB1 LYS 43 1.044 -3.831 7.194 256 HG2 LYS 43 HG2 LYS 43 1.822 -4.418 4.618 257 HG3 LYS 43 HG1 LYS 43 1.752 -5.999 5.398 258 HD2 LYS 43 HD2 LYS 43 -0.522 -5.648 6.056 259 HD3 LYS 43 HD1 LYS 43 -0.467 -3.963 5.535 260 HE2 LYS 43 HE2 LYS 43 -0.356 -4.577 3.252 261 HE3 LYS 43 HE1 LYS 43 -0.028 -6.264 3.648 262 HZ1 LYS 43 HZ1 LYS 43 -2.221 -6.465 3.264 263 HZ2 LYS 43 HZ2 LYS 43 -2.554 -4.836 3.572 264 HZ3 LYS 43 HZ3 LYS 43 -2.370 -5.917 4.859 265 H THR 44 HN THR 44 4.098 -5.283 7.862 266 HA THR 44 HA THR 44 5.867 -6.693 7.618 267 HB THR 44 HB THR 44 6.034 -5.770 4.748 268 HG1 THR 44 HG1 THR 44 4.365 -6.985 4.290 269 HG21 THR 44 HG21 THR 44 6.461 -8.583 5.423 270 HG22 THR 44 HG22 THR 44 7.686 -7.476 6.042 271 HG23 THR 44 HG23 THR 44 7.338 -7.529 4.314 272 H GLU 45 HN GLU 45 7.028 -5.287 9.039 273 HA GLU 45 HA GLU 45 8.582 -3.107 8.204 274 HB2 GLU 45 HB2 GLU 45 9.108 -4.975 10.522 275 HB3 GLU 45 HB1 GLU 45 9.768 -3.357 10.325 276 HG2 GLU 45 HG2 GLU 45 6.945 -3.182 10.125 277 HG3 GLU 45 HG1 GLU 45 7.338 -4.148 11.546 278 H GLN 46 HN GLN 46 10.381 -3.000 7.040 279 HA GLN 46 HA GLN 46 11.658 -5.352 6.072 280 HB2 GLN 46 HB2 GLN 46 12.916 -2.649 5.833 281 HB3 GLN 46 HB1 GLN 46 12.889 -3.968 4.674 282 HG2 GLN 46 HG2 GLN 46 11.368 -2.707 3.631 283 HG3 GLN 46 HG1 GLN 46 10.256 -3.385 4.820 284 HE21 GLN 46 HE21 GLN 46 8.919 -1.843 5.427 285 HE22 GLN 46 HE22 GLN 46 9.358 -0.232 5.871 286 HA PRO 47 HA PRO 47 15.275 -3.866 8.934 287 HB2 PRO 47 HB2 PRO 47 13.973 -2.195 10.957 288 HB3 PRO 47 HB1 PRO 47 15.383 -1.843 9.957 289 HG2 PRO 47 HG2 PRO 47 13.012 -0.600 9.600 290 HG3 PRO 47 HG1 PRO 47 14.120 -0.942 8.258 291 HD2 PRO 47 HD2 PRO 47 11.649 -2.418 9.098 292 HD3 PRO 47 HD1 PRO 47 12.204 -1.996 7.465 293 H ASP 48 HN ASP 48 14.580 -6.147 9.307 294 HA ASP 48 HA ASP 48 14.367 -6.638 12.124 295 HB2 ASP 48 HB2 ASP 48 11.965 -6.298 11.315 296 HB3 ASP 48 HB1 ASP 48 12.163 -7.805 10.425 297 H PHE 49 HN PHE 49 16.492 -7.338 10.970 298 HA PHE 49 HA PHE 49 16.298 -10.227 10.597 299 HB2 PHE 49 HB2 PHE 49 18.053 -9.951 8.707 300 HB3 PHE 49 HB1 PHE 49 16.356 -9.670 8.331 301 HD1 PHE 49 HD2 PHE 49 15.531 -7.429 7.903 302 HD2 PHE 49 HD1 PHE 49 19.643 -8.144 8.733 303 HE1 PHE 49 HE2 PHE 49 16.087 -5.185 7.060 304 HE2 PHE 49 HE1 PHE 49 20.207 -5.902 7.892 305 HZ PHE 49 HZ PHE 49 18.428 -4.419 7.053 306 HA PRO 50 HA PRO 50 19.490 -9.286 13.769 307 HB2 PRO 50 HB2 PRO 50 19.308 -12.267 13.793 308 HB3 PRO 50 HB1 PRO 50 19.379 -11.133 15.148 309 HG2 PRO 50 HG2 PRO 50 17.076 -12.273 14.458 310 HG3 PRO 50 HG1 PRO 50 17.133 -10.577 14.972 311 HD2 PRO 50 HD2 PRO 50 16.805 -11.721 12.241 312 HD3 PRO 50 HD1 PRO 50 16.126 -10.235 12.933 313 H TRP 51 HN TRP 51 21.704 -10.288 14.085 314 HA TRP 51 HA TRP 51 23.772 -10.774 13.277 315 HB2 TRP 51 HB2 TRP 51 21.996 -12.690 12.080 316 HB3 TRP 51 HB1 TRP 51 23.263 -12.273 10.931 317 HD1 TRP 51 HD1 TRP 51 25.870 -12.340 12.220 318 HE1 TRP 51 HE1 TRP 51 26.778 -14.275 13.654 319 HE3 TRP 51 HE3 TRP 51 21.443 -14.566 13.477 320 HZ2 TRP 51 HZ2 TRP 51 25.753 -16.456 15.123 321 HZ3 TRP 51 HZ3 TRP 51 21.494 -16.573 14.900 322 HH2 TRP 51 HH2 TRP 51 23.606 -17.498 15.704 323 H ILE 52 HN ILE 52 25.291 -10.178 11.644 324 HA ILE 52 HA ILE 52 24.194 -8.229 9.728 325 HB ILE 52 HB ILE 52 27.041 -8.271 10.708 326 HG12 ILE 52 HG12 ILE 52 25.605 -8.038 12.672 327 HG13 ILE 52 HG11 ILE 52 26.399 -6.508 12.314 328 HG21 ILE 52 HG21 ILE 52 25.538 -5.859 9.803 329 HG22 ILE 52 HG22 ILE 52 26.152 -6.999 8.606 330 HG23 ILE 52 HG23 ILE 52 27.265 -6.206 9.721 331 HD11 ILE 52 HD11 ILE 52 23.738 -6.845 12.803 332 HD12 ILE 52 HD12 ILE 52 23.794 -6.788 11.041 333 HD13 ILE 52 HD13 ILE 52 24.463 -5.459 11.989 334 H TRP 53 HN TRP 53 24.181 -10.884 8.976 335 HA TRP 53 HA TRP 53 26.503 -11.186 7.204 336 HB2 TRP 53 HB2 TRP 53 24.613 -13.075 8.491 337 HB3 TRP 53 HB1 TRP 53 25.161 -13.501 6.873 338 HD1 TRP 53 HD1 TRP 53 25.980 -14.558 10.075 339 HE1 TRP 53 HE1 TRP 53 28.480 -15.074 10.405 340 HE3 TRP 53 HE3 TRP 53 27.866 -12.060 6.033 341 HZ2 TRP 53 HZ2 TRP 53 30.927 -14.499 9.121 342 HZ3 TRP 53 HZ3 TRP 53 30.297 -12.092 5.655 343 HH2 TRP 53 HH2 TRP 53 31.795 -13.286 7.169 344 H VAL 54 HN VAL 54 26.181 -11.765 4.986 345 HA VAL 54 HA VAL 54 25.366 -11.185 2.930 346 HB VAL 54 HB VAL 54 24.165 -13.298 3.468 347 HG11 VAL 54 HG11 VAL 54 21.997 -11.403 4.349 348 HG12 VAL 54 HG12 VAL 54 22.788 -12.660 5.300 349 HG13 VAL 54 HG13 VAL 54 21.717 -13.103 3.971 350 HG21 VAL 54 HG21 VAL 54 22.079 -12.328 1.878 351 HG22 VAL 54 HG22 VAL 54 23.581 -13.076 1.336 352 HG23 VAL 54 HG23 VAL 54 23.476 -11.323 1.490 Start of MODEL 2 1 H1 SER 5 HT1 SER 5 -16.633 -10.572 3.437 2 H2 SER 5 HT2 SER 5 -15.328 -11.372 4.213 3 H3 SER 5 HT3 SER 5 -15.440 -11.369 2.500 4 HA SER 5 HA SER 5 -15.184 -8.922 4.101 5 HB2 SER 5 HB2 SER 5 -12.784 -9.020 3.615 6 HB3 SER 5 HB1 SER 5 -13.280 -10.446 4.527 7 HG SER 5 HG SER 5 -12.097 -10.334 2.144 8 H GLN 6 HN GLN 6 -14.413 -7.147 2.778 9 HA GLN 6 HA GLN 6 -14.855 -7.499 -0.105 10 HB2 GLN 6 HB2 GLN 6 -16.562 -6.087 1.693 11 HB3 GLN 6 HB1 GLN 6 -15.787 -4.911 0.641 12 HG2 GLN 6 HG2 GLN 6 -16.529 -6.267 -1.309 13 HG3 GLN 6 HG1 GLN 6 -17.433 -7.285 -0.190 14 HE21 GLN 6 HE21 GLN 6 -18.446 -5.436 1.545 15 HE22 GLN 6 HE22 GLN 6 -19.552 -4.399 0.717 16 H GLY 7 HN GLY 7 -12.420 -7.270 1.478 17 HA2 GLY 7 HA2 GLY 7 -11.256 -5.011 0.035 18 HA3 GLY 7 HA1 GLY 7 -11.087 -5.011 1.785 19 H GLU 8 HN GLU 8 -10.309 -6.793 -1.157 20 HA GLU 8 HA GLU 8 -8.123 -8.120 0.296 21 HB2 GLU 8 HB2 GLU 8 -8.185 -9.866 -1.368 22 HB3 GLU 8 HB1 GLU 8 -9.808 -9.627 -0.733 23 HG2 GLU 8 HG2 GLU 8 -9.333 -7.981 -3.057 24 HG3 GLU 8 HG1 GLU 8 -9.042 -9.686 -3.398 25 H CYS 9 HN CYS 9 -7.901 -5.456 -0.591 26 HA CYS 9 HA CYS 9 -6.184 -5.614 -2.959 27 HB2 CYS 9 HB2 CYS 9 -7.395 -3.269 -1.492 28 HB3 CYS 9 HB1 CYS 9 -6.247 -3.094 -2.815 29 HA PRO 10 HA PRO 10 -2.981 -5.824 0.339 30 HB2 PRO 10 HB2 PRO 10 -1.040 -6.656 -1.439 31 HB3 PRO 10 HB1 PRO 10 -2.101 -7.737 -0.532 32 HG2 PRO 10 HG2 PRO 10 -2.337 -6.774 -3.351 33 HG3 PRO 10 HG1 PRO 10 -2.651 -8.388 -2.687 34 HD2 PRO 10 HD2 PRO 10 -4.650 -6.705 -3.277 35 HD3 PRO 10 HD1 PRO 10 -4.733 -7.782 -1.867 36 H GLU 11 HN GLU 11 -0.421 -5.201 -0.241 37 HA GLU 11 HA GLU 11 -0.469 -2.395 -0.435 38 HB2 GLU 11 HB2 GLU 11 1.323 -4.261 0.474 39 HB3 GLU 11 HB1 GLU 11 2.119 -3.674 -0.979 40 HG2 GLU 11 HG2 GLU 11 1.071 -1.493 0.589 41 HG3 GLU 11 HG1 GLU 11 2.146 -2.512 1.543 42 H GLY 12 HN GLY 12 1.406 -1.426 -1.962 43 HA2 GLY 12 HA2 GLY 12 1.862 -0.698 -4.091 44 HA3 GLY 12 HA1 GLY 12 1.773 -2.392 -4.548 45 H ARG 13 HN ARG 13 -1.056 -1.014 -3.150 46 HA ARG 13 HA ARG 13 -2.245 -0.065 -5.562 47 HB2 ARG 13 HB2 ARG 13 -2.867 -2.046 -6.389 48 HB3 ARG 13 HB1 ARG 13 -2.394 -2.882 -4.917 49 HG2 ARG 13 HG2 ARG 13 -4.600 -1.948 -3.958 50 HG3 ARG 13 HG1 ARG 13 -5.026 -1.708 -5.657 51 HD2 ARG 13 HD2 ARG 13 -3.972 -4.337 -4.690 52 HD3 ARG 13 HD1 ARG 13 -5.679 -3.933 -4.503 53 HE ARG 13 HE ARG 13 -5.305 -3.448 -7.100 54 HH11 ARG 13 HH11 ARG 13 -4.365 -6.178 -5.138 55 HH12 ARG 13 HH12 ARG 13 -4.457 -7.308 -6.446 56 HH21 ARG 13 HH21 ARG 13 -5.425 -4.933 -8.820 57 HH22 ARG 13 HH22 ARG 13 -5.057 -6.602 -8.536 58 H ALA 14 HN ALA 14 -4.685 0.283 -5.209 59 HA ALA 14 HA ALA 14 -5.469 0.408 -2.440 60 HB1 ALA 14 HB1 ALA 14 -4.645 2.788 -3.952 61 HB2 ALA 14 HB2 ALA 14 -4.639 2.483 -2.214 62 HB3 ALA 14 HB3 ALA 14 -6.140 2.941 -3.026 63 H TYR 15 HN TYR 15 -7.715 1.019 -2.120 64 HA TYR 15 HA TYR 15 -9.364 0.542 -4.517 65 HB2 TYR 15 HB2 TYR 15 -9.579 -1.353 -3.051 66 HB3 TYR 15 HB1 TYR 15 -9.820 -0.311 -1.654 67 HD1 TYR 15 HD1 TYR 15 -11.946 1.087 -1.550 68 HD2 TYR 15 HD2 TYR 15 -11.410 -2.089 -4.332 69 HE1 TYR 15 HE1 TYR 15 -14.379 0.971 -1.879 70 HE2 TYR 15 HE2 TYR 15 -13.842 -2.212 -4.669 71 HH TYR 15 HH TYR 15 -15.985 0.194 -3.492 72 H SER 16 HN SER 16 -10.599 2.218 -5.101 73 HA SER 16 HA SER 16 -11.032 4.357 -3.149 74 HB2 SER 16 HB2 SER 16 -12.028 5.242 -5.594 75 HB3 SER 16 HB1 SER 16 -10.444 5.618 -4.916 76 HG SER 16 HG SER 16 -9.548 4.348 -6.336 77 H GLN 17 HN GLN 17 -12.801 4.187 -2.001 78 HA GLN 17 HA GLN 17 -15.077 2.708 -2.735 79 HB2 GLN 17 HB2 GLN 17 -16.137 3.799 -0.774 80 HB3 GLN 17 HB1 GLN 17 -14.562 3.103 -0.413 81 HG2 GLN 17 HG2 GLN 17 -14.237 5.078 0.599 82 HG3 GLN 17 HG1 GLN 17 -13.808 5.593 -1.032 83 HE21 GLN 17 HE21 GLN 17 -16.816 5.075 0.789 84 HE22 GLN 17 HE22 GLN 17 -17.526 6.595 0.380 85 H ASP 18 HN ASP 18 -14.099 5.959 -3.348 86 HA ASP 18 HA ASP 18 -16.612 7.116 -3.870 87 HB2 ASP 18 HB2 ASP 18 -14.284 8.240 -3.633 88 HB3 ASP 18 HB1 ASP 18 -14.117 7.900 -5.354 89 H LEU 19 HN LEU 19 -14.181 5.849 -6.148 90 HA LEU 19 HA LEU 19 -15.989 5.914 -8.348 91 HB2 LEU 19 HB2 LEU 19 -13.303 5.893 -8.164 92 HB3 LEU 19 HB1 LEU 19 -13.590 4.196 -8.496 93 HG LEU 19 HG LEU 19 -13.157 5.290 -10.575 94 HD11 LEU 19 HD11 LEU 19 -14.919 3.582 -10.580 95 HD12 LEU 19 HD12 LEU 19 -15.184 4.815 -11.814 96 HD13 LEU 19 HD13 LEU 19 -16.126 4.842 -10.324 97 HD21 LEU 19 HD21 LEU 19 -14.025 7.292 -11.267 98 HD22 LEU 19 HD22 LEU 19 -13.981 7.557 -9.524 99 HD23 LEU 19 HD23 LEU 19 -15.496 7.111 -10.311 100 H GLY 20 HN GLY 20 -15.120 3.607 -5.936 101 HA2 GLY 20 HA2 GLY 20 -16.221 1.651 -5.361 102 HA3 GLY 20 HA1 GLY 20 -17.246 1.852 -6.773 103 H LYS 21 HN LYS 21 -13.719 1.455 -6.348 104 HA LYS 21 HA LYS 21 -13.635 -1.184 -7.325 105 HB2 LYS 21 HB2 LYS 21 -12.666 -0.782 -9.555 106 HB3 LYS 21 HB1 LYS 21 -14.322 -0.202 -9.444 107 HG2 LYS 21 HG2 LYS 21 -13.708 2.001 -9.571 108 HG3 LYS 21 HG1 LYS 21 -12.097 1.701 -8.916 109 HD2 LYS 21 HD2 LYS 21 -12.018 0.254 -11.219 110 HD3 LYS 21 HD1 LYS 21 -13.064 1.596 -11.689 111 HE2 LYS 21 HE2 LYS 21 -11.380 3.081 -11.642 112 HE3 LYS 21 HE1 LYS 21 -10.693 2.399 -10.168 113 HZ1 LYS 21 HZ1 LYS 21 -9.553 0.763 -11.393 114 HZ2 LYS 21 HZ2 LYS 21 -9.292 2.212 -12.227 115 HZ3 LYS 21 HZ3 LYS 21 -10.416 1.091 -12.812 116 H CYS 22 HN CYS 22 -11.423 -1.946 -7.672 117 HA CYS 22 HA CYS 22 -9.556 -0.346 -6.088 118 HB2 CYS 22 HB2 CYS 22 -10.163 -2.873 -5.671 119 HB3 CYS 22 HB1 CYS 22 -8.961 -3.146 -6.925 120 H MET 23 HN MET 23 -7.593 0.268 -6.780 121 HA MET 23 HA MET 23 -6.710 -0.473 -9.454 122 HB2 MET 23 HB2 MET 23 -7.416 1.506 -10.273 123 HB3 MET 23 HB1 MET 23 -7.764 2.128 -8.667 124 HG2 MET 23 HG2 MET 23 -5.346 2.625 -8.421 125 HG3 MET 23 HG1 MET 23 -5.137 2.190 -10.115 126 HE1 MET 23 HE1 MET 23 -6.573 5.048 -12.099 127 HE2 MET 23 HE2 MET 23 -6.975 3.337 -11.959 128 HE3 MET 23 HE3 MET 23 -5.288 3.846 -11.987 129 H GLU 24 HN GLU 24 -4.392 0.381 -9.780 130 HA GLU 24 HA GLU 24 -2.794 -0.585 -7.699 131 HB2 GLU 24 HB2 GLU 24 -0.893 0.287 -8.970 132 HB3 GLU 24 HB1 GLU 24 -2.031 -0.547 -10.028 133 HG2 GLU 24 HG2 GLU 24 -3.003 1.782 -10.455 134 HG3 GLU 24 HG1 GLU 24 -1.508 2.375 -9.736 135 H CYS 25 HN CYS 25 -1.041 0.586 -6.695 136 HA CYS 25 HA CYS 25 -2.012 3.050 -5.465 137 HB2 CYS 25 HB2 CYS 25 -1.377 1.294 -3.923 138 HB3 CYS 25 HB1 CYS 25 0.191 1.127 -4.697 139 H SER 26 HN SER 26 0.503 1.809 -7.509 140 HA SER 26 HA SER 26 2.397 3.844 -7.301 141 HB2 SER 26 HB2 SER 26 2.833 1.772 -8.533 142 HB3 SER 26 HB1 SER 26 1.623 2.215 -9.738 143 HG SER 26 HG SER 26 3.861 2.698 -10.296 144 H VAL 27 HN VAL 27 -0.783 3.868 -8.601 145 HA VAL 27 HA VAL 27 -0.724 5.752 -10.598 146 HB VAL 27 HB VAL 27 -2.772 5.448 -8.401 147 HG11 VAL 27 HG11 VAL 27 -4.322 6.649 -9.891 148 HG12 VAL 27 HG12 VAL 27 -2.981 6.994 -10.984 149 HG13 VAL 27 HG13 VAL 27 -2.986 7.668 -9.354 150 HG21 VAL 27 HG21 VAL 27 -2.165 3.982 -10.822 151 HG22 VAL 27 HG22 VAL 27 -3.823 4.578 -10.818 152 HG23 VAL 27 HG23 VAL 27 -3.246 3.567 -9.493 153 H CYS 28 HN CYS 28 -0.362 6.259 -7.176 154 HA CYS 28 HA CYS 28 0.148 9.088 -7.682 155 HB2 CYS 28 HB2 CYS 28 -0.794 9.678 -5.578 156 HB3 CYS 28 HB1 CYS 28 -1.941 8.599 -6.362 157 H LYS 29 HN LYS 29 1.610 10.110 -6.049 158 HA LYS 29 HA LYS 29 3.707 8.204 -5.238 159 HB2 LYS 29 HB2 LYS 29 3.832 10.604 -6.846 160 HB3 LYS 29 HB1 LYS 29 4.871 10.750 -5.434 161 HG2 LYS 29 HG2 LYS 29 6.131 9.864 -7.277 162 HG3 LYS 29 HG1 LYS 29 5.949 8.620 -6.040 163 HD2 LYS 29 HD2 LYS 29 5.425 7.390 -7.891 164 HD3 LYS 29 HD1 LYS 29 3.820 8.004 -7.489 165 HE2 LYS 29 HE2 LYS 29 4.424 8.196 -9.903 166 HE3 LYS 29 HE1 LYS 29 3.986 9.723 -9.138 167 HZ1 LYS 29 HZ1 LYS 29 6.073 10.526 -9.335 168 HZ2 LYS 29 HZ2 LYS 29 6.142 9.440 -10.630 169 HZ3 LYS 29 HZ3 LYS 29 6.813 9.017 -9.136 170 H ASN 30 HN ASN 30 3.408 7.914 -3.108 171 HA ASN 30 HA ASN 30 3.267 8.341 -0.878 172 HB2 ASN 30 HB2 ASN 30 4.417 11.053 -1.549 173 HB3 ASN 30 HB1 ASN 30 4.527 10.195 -0.015 174 HD21 ASN 30 HD21 ASN 30 5.661 10.357 -3.300 175 HD22 ASN 30 HD22 ASN 30 7.044 9.343 -3.083 176 H SER 31 HN SER 31 0.963 8.897 -2.452 177 HA SER 31 HA SER 31 -1.113 9.798 -2.233 178 HB2 SER 31 HB2 SER 31 0.076 10.156 0.462 179 HB3 SER 31 HB1 SER 31 -1.352 11.126 0.102 180 HG SER 31 HG SER 31 -2.302 9.330 0.720 181 H GLU 32 HN GLU 32 -1.899 11.507 -3.262 182 HA GLU 32 HA GLU 32 -0.748 14.152 -2.763 183 HB2 GLU 32 HB2 GLU 32 -1.085 14.398 -5.400 184 HB3 GLU 32 HB1 GLU 32 0.431 13.862 -4.691 185 HG2 GLU 32 HG2 GLU 32 0.245 11.793 -5.533 186 HG3 GLU 32 HG1 GLU 32 -1.495 11.721 -5.253 187 H LYS 33 HN LYS 33 -3.004 13.002 -5.249 188 HA LYS 33 HA LYS 33 -5.140 14.518 -3.911 189 HB2 LYS 33 HB2 LYS 33 -4.527 14.410 -6.870 190 HB3 LYS 33 HB1 LYS 33 -5.992 15.105 -6.188 191 HG2 LYS 33 HG2 LYS 33 -3.445 16.126 -5.107 192 HG3 LYS 33 HG1 LYS 33 -3.807 16.535 -6.785 193 HD2 LYS 33 HD2 LYS 33 -5.724 17.715 -6.217 194 HD3 LYS 33 HD1 LYS 33 -5.886 16.896 -4.662 195 HE2 LYS 33 HE2 LYS 33 -3.569 18.707 -5.274 196 HE3 LYS 33 HE1 LYS 33 -5.095 19.327 -4.644 197 HZ1 LYS 33 HZ1 LYS 33 -3.602 18.938 -2.836 198 HZ2 LYS 33 HZ2 LYS 33 -3.305 17.351 -3.338 199 HZ3 LYS 33 HZ3 LYS 33 -4.834 17.781 -2.754 200 H SER 34 HN SER 34 -4.575 11.750 -3.672 201 HA SER 34 HA SER 34 -6.860 10.550 -5.097 202 HB2 SER 34 HB2 SER 34 -4.197 9.478 -4.297 203 HB3 SER 34 HB1 SER 34 -5.571 8.372 -4.271 204 HG SER 34 HG SER 34 -4.190 9.333 -6.383 205 H ASP 35 HN ASP 35 -8.304 9.240 -3.945 206 HA ASP 35 HA ASP 35 -8.381 9.822 -1.077 207 HB2 ASP 35 HB2 ASP 35 -10.595 8.629 -2.747 208 HB3 ASP 35 HB1 ASP 35 -10.728 9.374 -1.158 209 H PHE 36 HN PHE 36 -7.838 7.256 -3.280 210 HA PHE 36 HA PHE 36 -8.293 5.246 -1.204 211 HB2 PHE 36 HB2 PHE 36 -8.450 3.634 -2.872 212 HB3 PHE 36 HB1 PHE 36 -9.240 5.033 -3.576 213 HD1 PHE 36 HD2 PHE 36 -6.473 6.435 -4.183 214 HD2 PHE 36 HD1 PHE 36 -8.110 2.592 -4.984 215 HE1 PHE 36 HE2 PHE 36 -4.998 6.218 -6.135 216 HE2 PHE 36 HE1 PHE 36 -6.636 2.367 -6.936 217 HZ PHE 36 HZ PHE 36 -5.079 4.177 -7.511 218 H CYS 37 HN CYS 37 -5.709 6.981 -2.535 219 HA CYS 37 HA CYS 37 -3.716 5.022 -2.446 220 HB2 CYS 37 HB2 CYS 37 -3.638 8.008 -2.084 221 HB3 CYS 37 HB1 CYS 37 -2.179 7.034 -1.924 222 H GLN 38 HN GLN 38 -5.695 5.963 0.009 223 HA GLN 38 HA GLN 38 -3.760 5.785 2.150 224 HB2 GLN 38 HB2 GLN 38 -5.956 5.638 3.517 225 HB3 GLN 38 HB1 GLN 38 -5.535 7.159 2.751 226 HG2 GLN 38 HG2 GLN 38 -7.290 7.089 1.351 227 HG3 GLN 38 HG1 GLN 38 -7.192 5.341 1.145 228 HE21 GLN 38 HE21 GLN 38 -9.515 7.036 1.623 229 HE22 GLN 38 HE22 GLN 38 -10.254 6.443 3.067 230 H ASN 39 HN ASN 39 -5.617 3.725 0.225 231 HA ASN 39 HA ASN 39 -5.928 1.556 2.040 232 HB2 ASN 39 HB2 ASN 39 -6.762 2.161 -0.585 233 HB3 ASN 39 HB1 ASN 39 -5.816 0.678 -0.696 234 HD21 ASN 39 HD21 ASN 39 -8.754 2.100 0.285 235 HD22 ASN 39 HD22 ASN 39 -9.511 0.671 0.891 236 H CYS 40 HN CYS 40 -3.625 2.393 -0.443 237 HA CYS 40 HA CYS 40 -1.955 0.468 -0.926 238 HB2 CYS 40 HB2 CYS 40 -1.616 3.070 -1.065 239 HB3 CYS 40 HB1 CYS 40 -0.630 2.814 0.366 240 HA PRO 41 HA PRO 41 0.320 0.323 3.392 241 HB2 PRO 41 HB2 PRO 41 -1.168 1.327 5.481 242 HB3 PRO 41 HB1 PRO 41 0.114 2.214 4.652 243 HG2 PRO 41 HG2 PRO 41 -2.848 2.342 4.243 244 HG3 PRO 41 HG1 PRO 41 -1.668 3.665 4.303 245 HD2 PRO 41 HD2 PRO 41 -2.615 2.778 1.971 246 HD3 PRO 41 HD1 PRO 41 -0.916 3.259 2.143 247 H SER 42 HN SER 42 0.157 -1.471 4.681 248 HA SER 42 HA SER 42 -2.304 -3.001 4.436 249 HB2 SER 42 HB2 SER 42 0.129 -4.021 5.855 250 HB3 SER 42 HB1 SER 42 -1.040 -4.899 4.867 251 HG SER 42 HG SER 42 -0.126 -4.010 3.035 252 H LYS 43 HN LYS 43 -0.753 -1.021 6.742 253 HA LYS 43 HA LYS 43 -1.309 -0.412 8.860 254 HB2 LYS 43 HB2 LYS 43 -3.735 -2.187 8.575 255 HB3 LYS 43 HB1 LYS 43 -3.519 -0.848 9.695 256 HG2 LYS 43 HG2 LYS 43 -3.310 0.631 7.635 257 HG3 LYS 43 HG1 LYS 43 -3.930 -0.749 6.726 258 HD2 LYS 43 HD2 LYS 43 -6.011 -0.619 7.686 259 HD3 LYS 43 HD1 LYS 43 -5.401 0.133 9.161 260 HE2 LYS 43 HE2 LYS 43 -6.281 2.009 8.293 261 HE3 LYS 43 HE1 LYS 43 -4.805 2.037 7.329 262 HZ1 LYS 43 HZ1 LYS 43 -5.903 1.199 5.482 263 HZ2 LYS 43 HZ2 LYS 43 -7.035 2.273 6.134 264 HZ3 LYS 43 HZ3 LYS 43 -7.209 0.609 6.382 265 H THR 44 HN THR 44 -0.543 -1.092 10.772 266 HA THR 44 HA THR 44 -0.745 -3.880 11.547 267 HB THR 44 HB THR 44 1.260 -4.063 10.301 268 HG1 THR 44 HG1 THR 44 1.594 -5.037 12.237 269 HG21 THR 44 HG21 THR 44 3.093 -2.282 11.434 270 HG22 THR 44 HG22 THR 44 1.672 -1.325 11.015 271 HG23 THR 44 HG23 THR 44 2.476 -2.296 9.782 272 H GLU 45 HN GLU 45 -0.079 -4.256 13.765 273 HA GLU 45 HA GLU 45 -0.069 -3.752 15.982 274 HB2 GLU 45 HB2 GLU 45 2.034 -2.597 15.373 275 HB3 GLU 45 HB1 GLU 45 1.119 -1.127 15.065 276 HG2 GLU 45 HG2 GLU 45 0.423 -1.079 17.412 277 HG3 GLU 45 HG1 GLU 45 1.370 -2.535 17.713 278 H GLN 46 HN GLN 46 -2.484 -3.686 15.419 279 HA GLN 46 HA GLN 46 -3.682 -1.055 15.633 280 HB2 GLN 46 HB2 GLN 46 -4.541 -3.684 14.753 281 HB3 GLN 46 HB1 GLN 46 -5.725 -2.935 15.815 282 HG2 GLN 46 HG2 GLN 46 -6.263 -1.338 14.320 283 HG3 GLN 46 HG1 GLN 46 -4.620 -1.218 13.691 284 HE21 GLN 46 HE21 GLN 46 -7.075 -3.778 13.908 285 HE22 GLN 46 HE22 GLN 46 -6.990 -4.234 12.244 286 HA PRO 47 HA PRO 47 -5.310 -3.223 19.721 287 HB2 PRO 47 HB2 PRO 47 -3.085 -5.131 20.153 288 HB3 PRO 47 HB1 PRO 47 -4.820 -5.354 20.395 289 HG2 PRO 47 HG2 PRO 47 -3.559 -6.497 18.336 290 HG3 PRO 47 HG1 PRO 47 -5.203 -5.853 18.167 291 HD2 PRO 47 HD2 PRO 47 -2.604 -4.673 17.269 292 HD3 PRO 47 HD1 PRO 47 -4.180 -4.678 16.453 293 H ASP 48 HN ASP 48 -4.455 -3.034 21.973 294 HA ASP 48 HA ASP 48 -1.796 -2.002 22.327 295 HB2 ASP 48 HB2 ASP 48 -3.177 -0.062 21.399 296 HB3 ASP 48 HB1 ASP 48 -4.055 -0.095 22.925 297 H PHE 49 HN PHE 49 -3.254 -4.163 23.408 298 HA PHE 49 HA PHE 49 -3.550 -3.321 26.207 299 HB2 PHE 49 HB2 PHE 49 -5.224 -4.978 24.535 300 HB3 PHE 49 HB1 PHE 49 -4.714 -5.851 25.976 301 HD1 PHE 49 HD1 PHE 49 -5.588 -2.272 25.403 302 HD2 PHE 49 HD2 PHE 49 -6.462 -5.890 27.465 303 HE1 PHE 49 HE1 PHE 49 -7.310 -1.103 26.715 304 HE2 PHE 49 HE2 PHE 49 -8.187 -4.730 28.781 305 HZ PHE 49 HZ PHE 49 -8.613 -2.333 28.406 306 HA PRO 50 HA PRO 50 -1.006 -7.292 26.543 307 HB2 PRO 50 HB2 PRO 50 -0.859 -9.066 24.558 308 HB3 PRO 50 HB1 PRO 50 -2.314 -8.934 25.554 309 HG2 PRO 50 HG2 PRO 50 -1.805 -7.913 22.796 310 HG3 PRO 50 HG1 PRO 50 -3.283 -8.613 23.480 311 HD2 PRO 50 HD2 PRO 50 -2.760 -5.887 23.177 312 HD3 PRO 50 HD1 PRO 50 -4.008 -6.589 24.218 313 H TRP 51 HN TRP 51 0.346 -5.157 26.026 314 HA TRP 51 HA TRP 51 2.467 -5.977 24.156 315 HB2 TRP 51 HB2 TRP 51 2.826 -3.647 23.538 316 HB3 TRP 51 HB1 TRP 51 1.163 -4.112 23.198 317 HD1 TRP 51 HD1 TRP 51 -0.545 -3.450 25.476 318 HE1 TRP 51 HE1 TRP 51 -0.648 -1.153 26.633 319 HE3 TRP 51 HE3 TRP 51 3.986 -1.595 24.002 320 HZ2 TRP 51 HZ2 TRP 51 0.977 1.142 26.886 321 HZ3 TRP 51 HZ3 TRP 51 4.635 0.659 24.745 322 HH2 TRP 51 HH2 TRP 51 3.160 1.997 26.156 323 H ILE 52 HN ILE 52 4.567 -5.642 24.806 324 HA ILE 52 HA ILE 52 4.908 -5.070 27.655 325 HB ILE 52 HB ILE 52 7.000 -6.138 25.766 326 HG12 ILE 52 HG12 ILE 52 5.038 -7.625 25.739 327 HG13 ILE 52 HG11 ILE 52 6.406 -8.383 26.549 328 HG21 ILE 52 HG21 ILE 52 6.724 -6.189 28.767 329 HG22 ILE 52 HG22 ILE 52 7.881 -5.247 27.827 330 HG23 ILE 52 HG23 ILE 52 7.992 -7.007 27.855 331 HD11 ILE 52 HD11 ILE 52 4.026 -8.551 27.566 332 HD12 ILE 52 HD12 ILE 52 4.365 -6.925 28.159 333 HD13 ILE 52 HD13 ILE 52 5.413 -8.267 28.618 334 H TRP 53 HN TRP 53 6.616 -3.696 28.397 335 HA TRP 53 HA TRP 53 6.871 -1.308 26.820 336 HB2 TRP 53 HB2 TRP 53 7.604 -2.138 29.588 337 HB3 TRP 53 HB1 TRP 53 8.453 -0.762 28.891 338 HD1 TRP 53 HD1 TRP 53 4.714 -1.485 28.304 339 HE1 TRP 53 HE1 TRP 53 3.352 0.468 29.280 340 HE3 TRP 53 HE3 TRP 53 8.511 1.124 30.523 341 HZ2 TRP 53 HZ2 TRP 53 3.825 2.806 30.790 342 HZ3 TRP 53 HZ3 TRP 53 7.971 3.208 31.712 343 HH2 TRP 53 HH2 TRP 53 5.676 4.031 31.841 344 H VAL 54 HN VAL 54 8.376 -0.984 25.332 345 HA VAL 54 HA VAL 54 10.649 -2.717 25.084 346 HB VAL 54 HB VAL 54 10.113 -0.172 23.551 347 HG11 VAL 54 HG11 VAL 54 11.797 -2.603 22.968 348 HG12 VAL 54 HG12 VAL 54 12.361 -0.957 23.258 349 HG13 VAL 54 HG13 VAL 54 11.445 -1.330 21.798 350 HG21 VAL 54 HG21 VAL 54 8.230 -1.898 23.560 351 HG22 VAL 54 HG22 VAL 54 9.336 -2.932 22.656 352 HG23 VAL 54 HG23 VAL 54 8.841 -1.376 21.990 Start of MODEL 3 1 H1 SER 5 HT1 SER 5 -11.664 -10.552 -7.789 2 H2 SER 5 HT2 SER 5 -12.922 -9.383 -7.796 3 H3 SER 5 HT3 SER 5 -13.212 -10.956 -7.171 4 HA SER 5 HA SER 5 -11.189 -9.154 -6.048 5 HB2 SER 5 HB2 SER 5 -13.656 -8.288 -6.160 6 HB3 SER 5 HB1 SER 5 -13.946 -9.489 -4.901 7 HG SER 5 HG SER 5 -12.103 -7.332 -4.821 8 H GLN 6 HN GLN 6 -9.883 -10.912 -5.536 9 HA GLN 6 HA GLN 6 -10.992 -13.177 -4.115 10 HB2 GLN 6 HB2 GLN 6 -9.169 -13.511 -5.726 11 HB3 GLN 6 HB1 GLN 6 -8.123 -12.472 -4.766 12 HG2 GLN 6 HG2 GLN 6 -8.262 -14.063 -2.909 13 HG3 GLN 6 HG1 GLN 6 -9.287 -15.107 -3.892 14 HE21 GLN 6 HE21 GLN 6 -6.723 -15.702 -2.698 15 HE22 GLN 6 HE22 GLN 6 -5.661 -16.126 -3.992 16 H GLY 7 HN GLY 7 -8.938 -10.385 -3.416 17 HA2 GLY 7 HA2 GLY 7 -9.306 -10.963 -0.540 18 HA3 GLY 7 HA1 GLY 7 -7.802 -10.322 -1.188 19 H GLU 8 HN GLU 8 -7.915 -8.506 0.168 20 HA GLU 8 HA GLU 8 -10.043 -6.589 -0.502 21 HB2 GLU 8 HB2 GLU 8 -9.692 -5.574 1.666 22 HB3 GLU 8 HB1 GLU 8 -9.968 -7.298 1.870 23 HG2 GLU 8 HG2 GLU 8 -7.559 -7.650 2.112 24 HG3 GLU 8 HG1 GLU 8 -7.296 -5.916 1.935 25 H CYS 9 HN CYS 9 -7.796 -6.941 -2.165 26 HA CYS 9 HA CYS 9 -6.214 -5.742 -3.274 27 HB2 CYS 9 HB2 CYS 9 -7.600 -3.499 -1.802 28 HB3 CYS 9 HB1 CYS 9 -6.340 -3.227 -3.001 29 HA PRO 10 HA PRO 10 -3.272 -5.994 0.235 30 HB2 PRO 10 HB2 PRO 10 -1.209 -6.912 -1.297 31 HB3 PRO 10 HB1 PRO 10 -2.448 -7.959 -0.597 32 HG2 PRO 10 HG2 PRO 10 -2.246 -6.860 -3.374 33 HG3 PRO 10 HG1 PRO 10 -2.686 -8.495 -2.846 34 HD2 PRO 10 HD2 PRO 10 -4.539 -6.690 -3.596 35 HD3 PRO 10 HD1 PRO 10 -4.849 -7.875 -2.309 36 H GLU 11 HN GLU 11 -0.674 -5.428 -0.087 37 HA GLU 11 HA GLU 11 -0.608 -2.634 -0.285 38 HB2 GLU 11 HB2 GLU 11 1.034 -4.473 0.800 39 HB3 GLU 11 HB1 GLU 11 1.933 -4.109 -0.664 40 HG2 GLU 11 HG2 GLU 11 2.497 -2.046 0.030 41 HG3 GLU 11 HG1 GLU 11 0.957 -1.781 0.845 42 H GLY 12 HN GLY 12 1.405 -1.722 -1.676 43 HA2 GLY 12 HA2 GLY 12 1.993 -0.970 -3.765 44 HA3 GLY 12 HA1 GLY 12 1.906 -2.658 -4.244 45 H ARG 13 HN ARG 13 -0.959 -1.206 -2.999 46 HA ARG 13 HA ARG 13 -2.008 -0.229 -5.459 47 HB2 ARG 13 HB2 ARG 13 -2.629 -2.192 -6.335 48 HB3 ARG 13 HB1 ARG 13 -2.220 -3.049 -4.858 49 HG2 ARG 13 HG2 ARG 13 -4.459 -2.104 -3.978 50 HG3 ARG 13 HG1 ARG 13 -4.813 -1.855 -5.692 51 HD2 ARG 13 HD2 ARG 13 -3.762 -4.499 -4.823 52 HD3 ARG 13 HD1 ARG 13 -5.443 -4.112 -4.470 53 HE ARG 13 HE ARG 13 -5.930 -4.208 -6.730 54 HH11 ARG 13 HH11 ARG 13 -2.481 -4.476 -6.235 55 HH12 ARG 13 HH12 ARG 13 -2.165 -4.986 -7.857 56 HH21 ARG 13 HH21 ARG 13 -5.510 -4.876 -8.863 57 HH22 ARG 13 HH22 ARG 13 -3.881 -5.213 -9.349 58 H ALA 14 HN ALA 14 -4.473 0.134 -5.214 59 HA ALA 14 HA ALA 14 -5.342 0.278 -2.466 60 HB1 ALA 14 HB1 ALA 14 -6.060 2.777 -3.131 61 HB2 ALA 14 HB2 ALA 14 -4.533 2.642 -4.006 62 HB3 ALA 14 HB3 ALA 14 -4.577 2.376 -2.261 63 H TYR 15 HN TYR 15 -7.613 0.976 -2.247 64 HA TYR 15 HA TYR 15 -9.198 0.473 -4.673 65 HB2 TYR 15 HB2 TYR 15 -9.275 -1.562 -3.383 66 HB3 TYR 15 HB1 TYR 15 -9.630 -0.672 -1.909 67 HD1 TYR 15 HD2 TYR 15 -11.025 -1.393 -5.290 68 HD2 TYR 15 HD1 TYR 15 -11.840 -0.388 -1.238 69 HE1 TYR 15 HE2 TYR 15 -13.430 -1.672 -5.712 70 HE2 TYR 15 HE1 TYR 15 -14.249 -0.663 -1.648 71 HH TYR 15 HH TYR 15 -15.638 -2.151 -3.528 72 H SER 16 HN SER 16 -10.420 2.193 -5.116 73 HA SER 16 HA SER 16 -10.984 4.138 -3.039 74 HB2 SER 16 HB2 SER 16 -10.718 5.522 -4.783 75 HB3 SER 16 HB1 SER 16 -10.753 4.175 -5.919 76 HG SER 16 HG SER 16 -12.606 6.023 -5.514 77 H GLN 17 HN GLN 17 -12.564 3.479 -1.700 78 HA GLN 17 HA GLN 17 -14.778 1.919 -2.390 79 HB2 GLN 17 HB2 GLN 17 -14.484 3.891 -0.120 80 HB3 GLN 17 HB1 GLN 17 -15.741 2.666 -0.238 81 HG2 GLN 17 HG2 GLN 17 -13.747 1.013 -0.406 82 HG3 GLN 17 HG1 GLN 17 -12.824 2.339 0.298 83 HE21 GLN 17 HE21 GLN 17 -15.444 0.088 0.794 84 HE22 GLN 17 HE22 GLN 17 -15.516 0.245 2.512 85 H ASP 18 HN ASP 18 -14.201 5.313 -2.685 86 HA ASP 18 HA ASP 18 -16.863 6.211 -2.868 87 HB2 ASP 18 HB2 ASP 18 -14.251 7.294 -3.902 88 HB3 ASP 18 HB1 ASP 18 -15.776 8.109 -4.234 89 H LEU 19 HN LEU 19 -14.515 5.493 -5.448 90 HA LEU 19 HA LEU 19 -16.523 5.597 -7.479 91 HB2 LEU 19 HB2 LEU 19 -13.631 4.766 -7.506 92 HB3 LEU 19 HB1 LEU 19 -14.644 4.736 -8.937 93 HG LEU 19 HG LEU 19 -14.770 7.321 -7.639 94 HD11 LEU 19 HD11 LEU 19 -12.286 7.685 -8.634 95 HD12 LEU 19 HD12 LEU 19 -12.126 6.073 -7.938 96 HD13 LEU 19 HD13 LEU 19 -12.641 7.423 -6.927 97 HD21 LEU 19 HD21 LEU 19 -15.446 7.407 -9.807 98 HD22 LEU 19 HD22 LEU 19 -14.303 6.171 -10.331 99 HD23 LEU 19 HD23 LEU 19 -13.747 7.819 -10.040 100 H GLY 20 HN GLY 20 -15.155 3.175 -5.450 101 HA2 GLY 20 HA2 GLY 20 -15.863 1.003 -5.098 102 HA3 GLY 20 HA1 GLY 20 -17.060 1.229 -6.364 103 H LYS 21 HN LYS 21 -13.501 1.398 -6.368 104 HA LYS 21 HA LYS 21 -13.280 -1.016 -7.923 105 HB2 LYS 21 HB2 LYS 21 -12.292 0.015 -9.903 106 HB3 LYS 21 HB1 LYS 21 -13.938 0.587 -9.663 107 HG2 LYS 21 HG2 LYS 21 -13.289 2.708 -9.413 108 HG3 LYS 21 HG1 LYS 21 -11.919 2.269 -8.390 109 HD2 LYS 21 HD2 LYS 21 -10.482 2.098 -10.154 110 HD3 LYS 21 HD1 LYS 21 -11.748 1.599 -11.277 111 HE2 LYS 21 HE2 LYS 21 -10.787 3.876 -11.702 112 HE3 LYS 21 HE1 LYS 21 -12.539 3.830 -11.505 113 HZ1 LYS 21 HZ1 LYS 21 -10.690 4.480 -9.282 114 HZ2 LYS 21 HZ2 LYS 21 -12.365 4.704 -9.337 115 HZ3 LYS 21 HZ3 LYS 21 -11.353 5.660 -10.298 116 H CYS 22 HN CYS 22 -11.092 -1.696 -8.215 117 HA CYS 22 HA CYS 22 -9.254 -0.367 -6.347 118 HB2 CYS 22 HB2 CYS 22 -9.996 -2.859 -6.097 119 HB3 CYS 22 HB1 CYS 22 -8.822 -3.143 -7.375 120 H MET 23 HN MET 23 -7.215 0.157 -6.916 121 HA MET 23 HA MET 23 -6.257 -0.453 -9.593 122 HB2 MET 23 HB2 MET 23 -6.845 1.593 -10.330 123 HB3 MET 23 HB1 MET 23 -7.234 2.147 -8.709 124 HG2 MET 23 HG2 MET 23 -4.831 2.550 -8.327 125 HG3 MET 23 HG1 MET 23 -4.532 2.135 -10.013 126 HE1 MET 23 HE1 MET 23 -6.721 4.468 -11.900 127 HE2 MET 23 HE2 MET 23 -5.716 3.019 -11.841 128 HE3 MET 23 HE3 MET 23 -4.971 4.601 -12.070 129 H GLU 24 HN GLU 24 -3.890 0.281 -9.773 130 HA GLU 24 HA GLU 24 -2.473 -0.796 -7.587 131 HB2 GLU 24 HB2 GLU 24 -0.451 -0.141 -8.801 132 HB3 GLU 24 HB1 GLU 24 -1.603 -0.942 -9.868 133 HG2 GLU 24 HG2 GLU 24 -2.350 1.337 -10.575 134 HG3 GLU 24 HG1 GLU 24 -0.994 1.980 -9.653 135 H CYS 25 HN CYS 25 -0.675 0.251 -6.545 136 HA CYS 25 HA CYS 25 -1.489 2.780 -5.375 137 HB2 CYS 25 HB2 CYS 25 -0.821 1.039 -3.835 138 HB3 CYS 25 HB1 CYS 25 0.707 0.821 -4.678 139 H SER 26 HN SER 26 0.924 1.477 -7.505 140 HA SER 26 HA SER 26 2.831 3.518 -7.401 141 HB2 SER 26 HB2 SER 26 1.997 1.589 -9.556 142 HB3 SER 26 HB1 SER 26 3.232 2.810 -9.864 143 HG SER 26 HG SER 26 3.289 0.816 -7.843 144 H VAL 27 HN VAL 27 -0.386 3.485 -8.593 145 HA VAL 27 HA VAL 27 -0.323 5.375 -10.628 146 HB VAL 27 HB VAL 27 -2.444 4.885 -8.542 147 HG11 VAL 27 HG11 VAL 27 -2.262 6.997 -10.516 148 HG12 VAL 27 HG12 VAL 27 -3.423 6.771 -9.209 149 HG13 VAL 27 HG13 VAL 27 -3.686 5.986 -10.767 150 HG21 VAL 27 HG21 VAL 27 -3.290 4.099 -11.097 151 HG22 VAL 27 HG22 VAL 27 -2.848 3.063 -9.741 152 HG23 VAL 27 HG23 VAL 27 -1.633 3.519 -10.934 153 H CYS 28 HN CYS 28 -0.612 5.894 -7.165 154 HA CYS 28 HA CYS 28 0.023 8.713 -7.581 155 HB2 CYS 28 HB2 CYS 28 -1.197 9.251 -5.582 156 HB3 CYS 28 HB1 CYS 28 -2.227 8.251 -6.601 157 H LYS 29 HN LYS 29 1.320 9.756 -5.909 158 HA LYS 29 HA LYS 29 3.054 7.894 -4.436 159 HB2 LYS 29 HB2 LYS 29 3.876 10.142 -6.260 160 HB3 LYS 29 HB1 LYS 29 4.940 9.554 -4.990 161 HG2 LYS 29 HG2 LYS 29 5.488 7.713 -6.132 162 HG3 LYS 29 HG1 LYS 29 3.833 7.442 -6.680 163 HD2 LYS 29 HD2 LYS 29 5.102 9.783 -7.887 164 HD3 LYS 29 HD1 LYS 29 5.924 8.266 -8.256 165 HE2 LYS 29 HE2 LYS 29 3.094 7.899 -8.488 166 HE3 LYS 29 HE1 LYS 29 3.579 9.310 -9.427 167 HZ1 LYS 29 HZ1 LYS 29 5.267 6.966 -9.712 168 HZ2 LYS 29 HZ2 LYS 29 4.719 8.056 -10.883 169 HZ3 LYS 29 HZ3 LYS 29 3.704 6.817 -10.342 170 H ASN 30 HN ASN 30 2.378 11.366 -4.881 171 HA ASN 30 HA ASN 30 1.734 11.692 -2.106 172 HB2 ASN 30 HB2 ASN 30 4.440 11.924 -2.774 173 HB3 ASN 30 HB1 ASN 30 3.866 13.584 -2.657 174 HD21 ASN 30 HD21 ASN 30 3.538 10.503 -0.926 175 HD22 ASN 30 HD22 ASN 30 3.688 11.181 0.656 176 H SER 31 HN SER 31 0.483 13.467 -1.774 177 HA SER 31 HA SER 31 -0.834 15.257 -2.257 178 HB2 SER 31 HB2 SER 31 1.784 15.899 -3.319 179 HB3 SER 31 HB1 SER 31 0.515 16.661 -4.276 180 HG SER 31 HG SER 31 -0.312 17.536 -2.330 181 H GLU 32 HN GLU 32 -2.601 14.382 -3.205 182 HA GLU 32 HA GLU 32 -3.021 14.840 -5.981 183 HB2 GLU 32 HB2 GLU 32 -1.688 12.669 -5.932 184 HB3 GLU 32 HB1 GLU 32 -3.091 11.938 -5.163 185 HG2 GLU 32 HG2 GLU 32 -4.433 12.267 -7.072 186 HG3 GLU 32 HG1 GLU 32 -3.252 13.353 -7.805 187 H LYS 33 HN LYS 33 -5.229 14.047 -6.664 188 HA LYS 33 HA LYS 33 -7.069 14.464 -4.439 189 HB2 LYS 33 HB2 LYS 33 -8.757 14.876 -6.145 190 HB3 LYS 33 HB1 LYS 33 -7.325 15.848 -6.456 191 HG2 LYS 33 HG2 LYS 33 -6.841 14.770 -8.382 192 HG3 LYS 33 HG1 LYS 33 -7.456 13.221 -7.800 193 HD2 LYS 33 HD2 LYS 33 -9.764 14.525 -7.909 194 HD3 LYS 33 HD1 LYS 33 -8.890 15.471 -9.115 195 HE2 LYS 33 HE2 LYS 33 -8.930 12.473 -9.211 196 HE3 LYS 33 HE1 LYS 33 -10.238 13.429 -9.907 197 HZ1 LYS 33 HZ1 LYS 33 -8.147 14.645 -10.982 198 HZ2 LYS 33 HZ2 LYS 33 -8.915 13.326 -11.712 199 HZ3 LYS 33 HZ3 LYS 33 -7.498 13.091 -10.820 200 H SER 34 HN SER 34 -5.858 11.992 -4.353 201 HA SER 34 HA SER 34 -7.942 10.139 -5.289 202 HB2 SER 34 HB2 SER 34 -5.053 9.640 -4.538 203 HB3 SER 34 HB1 SER 34 -6.208 8.362 -4.917 204 HG SER 34 HG SER 34 -6.501 9.591 -6.966 205 H ASP 35 HN ASP 35 -9.079 8.936 -3.856 206 HA ASP 35 HA ASP 35 -8.563 9.455 -1.012 207 HB2 ASP 35 HB2 ASP 35 -11.087 8.463 -2.353 208 HB3 ASP 35 HB1 ASP 35 -10.908 8.839 -0.642 209 H PHE 36 HN PHE 36 -7.968 7.098 -3.255 210 HA PHE 36 HA PHE 36 -8.418 4.903 -1.370 211 HB2 PHE 36 HB2 PHE 36 -8.496 3.444 -3.148 212 HB3 PHE 36 HB1 PHE 36 -9.172 4.893 -3.866 213 HD1 PHE 36 HD1 PHE 36 -6.470 6.337 -4.221 214 HD2 PHE 36 HD2 PHE 36 -7.806 2.404 -5.130 215 HE1 PHE 36 HE1 PHE 36 -4.787 6.183 -6.006 216 HE2 PHE 36 HE2 PHE 36 -6.125 2.239 -6.912 217 HZ PHE 36 HZ PHE 36 -4.611 4.127 -7.351 218 H CYS 37 HN CYS 37 -5.902 6.892 -2.456 219 HA CYS 37 HA CYS 37 -3.770 5.080 -2.355 220 HB2 CYS 37 HB2 CYS 37 -3.796 8.010 -1.594 221 HB3 CYS 37 HB1 CYS 37 -2.346 7.053 -1.872 222 H GLN 38 HN GLN 38 -5.949 5.757 0.023 223 HA GLN 38 HA GLN 38 -4.120 5.603 2.254 224 HB2 GLN 38 HB2 GLN 38 -6.419 5.263 3.460 225 HB3 GLN 38 HB1 GLN 38 -5.956 6.849 2.870 226 HG2 GLN 38 HG2 GLN 38 -7.518 6.843 1.216 227 HG3 GLN 38 HG1 GLN 38 -7.512 5.087 1.066 228 HE21 GLN 38 HE21 GLN 38 -9.367 7.592 1.922 229 HE22 GLN 38 HE22 GLN 38 -10.408 6.836 3.075 230 H ASN 39 HN ASN 39 -5.701 3.507 0.155 231 HA ASN 39 HA ASN 39 -5.935 1.278 1.950 232 HB2 ASN 39 HB2 ASN 39 -6.780 1.897 -0.706 233 HB3 ASN 39 HB1 ASN 39 -5.881 0.381 -0.744 234 HD21 ASN 39 HD21 ASN 39 -8.707 2.009 0.408 235 HD22 ASN 39 HD22 ASN 39 -9.544 0.605 0.964 236 H CYS 40 HN CYS 40 -3.707 2.337 -0.512 237 HA CYS 40 HA CYS 40 -2.005 0.286 -0.892 238 HB2 CYS 40 HB2 CYS 40 -1.734 2.484 -1.924 239 HB3 CYS 40 HB1 CYS 40 -1.205 3.156 -0.392 240 HA PRO 41 HA PRO 41 0.441 1.003 3.177 241 HB2 PRO 41 HB2 PRO 41 -0.448 2.759 5.000 242 HB3 PRO 41 HB1 PRO 41 0.521 3.279 3.615 243 HG2 PRO 41 HG2 PRO 41 -2.454 3.372 3.982 244 HG3 PRO 41 HG1 PRO 41 -1.368 4.632 3.364 245 HD2 PRO 41 HD2 PRO 41 -2.827 3.018 1.736 246 HD3 PRO 41 HD1 PRO 41 -1.249 3.680 1.276 247 H SER 42 HN SER 42 -0.469 -1.092 3.499 248 HA SER 42 HA SER 42 -2.946 -1.598 4.716 249 HB2 SER 42 HB2 SER 42 -2.273 -3.840 4.850 250 HB3 SER 42 HB1 SER 42 -1.340 -3.220 3.488 251 HG SER 42 HG SER 42 0.342 -2.814 5.157 252 H LYS 43 HN LYS 43 -3.165 -2.738 6.870 253 HA LYS 43 HA LYS 43 -3.079 -2.701 9.139 254 HB2 LYS 43 HB2 LYS 43 -0.450 -2.911 8.342 255 HB3 LYS 43 HB1 LYS 43 -0.414 -1.524 9.420 256 HG2 LYS 43 HG2 LYS 43 -1.967 -3.657 10.569 257 HG3 LYS 43 HG1 LYS 43 -0.356 -4.222 10.120 258 HD2 LYS 43 HD2 LYS 43 -0.496 -1.608 11.493 259 HD3 LYS 43 HD1 LYS 43 -0.907 -3.024 12.462 260 HE2 LYS 43 HE2 LYS 43 1.654 -2.495 10.970 261 HE3 LYS 43 HE1 LYS 43 1.433 -2.619 12.714 262 HZ1 LYS 43 HZ1 LYS 43 2.160 -4.703 12.315 263 HZ2 LYS 43 HZ2 LYS 43 1.621 -4.725 10.712 264 HZ3 LYS 43 HZ3 LYS 43 0.528 -4.987 11.976 265 H THR 44 HN THR 44 -2.986 -1.246 11.020 266 HA THR 44 HA THR 44 -2.574 1.553 10.659 267 HB THR 44 HB THR 44 -4.707 1.313 9.451 268 HG1 THR 44 HG1 THR 44 -5.104 2.585 11.950 269 HG21 THR 44 HG21 THR 44 -6.497 0.214 10.177 270 HG22 THR 44 HG22 THR 44 -6.342 0.858 11.811 271 HG23 THR 44 HG23 THR 44 -5.400 -0.551 11.326 272 H GLU 45 HN GLU 45 -2.790 2.738 12.607 273 HA GLU 45 HA GLU 45 -3.867 1.740 14.994 274 HB2 GLU 45 HB2 GLU 45 -1.651 1.317 16.180 275 HB3 GLU 45 HB1 GLU 45 -2.207 0.065 15.078 276 HG2 GLU 45 HG2 GLU 45 0.032 0.237 14.565 277 HG3 GLU 45 HG1 GLU 45 -0.721 1.256 13.340 278 H GLN 46 HN GLN 46 -2.750 2.928 16.964 279 HA GLN 46 HA GLN 46 -2.936 5.705 16.398 280 HB2 GLN 46 HB2 GLN 46 -2.452 6.023 18.774 281 HB3 GLN 46 HB1 GLN 46 -3.657 4.763 18.541 282 HG2 GLN 46 HG2 GLN 46 -1.503 3.220 18.601 283 HG3 GLN 46 HG1 GLN 46 -0.876 4.574 19.541 284 HE21 GLN 46 HE21 GLN 46 -3.684 2.428 19.306 285 HE22 GLN 46 HE22 GLN 46 -3.971 2.332 21.006 286 HA PRO 47 HA PRO 47 1.409 6.231 15.465 287 HB2 PRO 47 HB2 PRO 47 1.311 8.770 14.653 288 HB3 PRO 47 HB1 PRO 47 0.571 7.479 13.699 289 HG2 PRO 47 HG2 PRO 47 -0.716 9.459 15.531 290 HG3 PRO 47 HG1 PRO 47 -1.275 8.858 13.960 291 HD2 PRO 47 HD2 PRO 47 -2.157 7.937 16.424 292 HD3 PRO 47 HD1 PRO 47 -2.288 7.044 14.897 293 H ASP 48 HN ASP 48 0.844 6.267 18.208 294 HA ASP 48 HA ASP 48 1.561 7.092 20.204 295 HB2 ASP 48 HB2 ASP 48 3.699 8.240 18.401 296 HB3 ASP 48 HB1 ASP 48 3.790 8.228 20.159 297 H PHE 49 HN PHE 49 -0.494 8.579 19.048 298 HA PHE 49 HA PHE 49 -0.003 11.341 18.933 299 HB2 PHE 49 HB2 PHE 49 -2.046 10.225 18.049 300 HB3 PHE 49 HB1 PHE 49 -2.591 9.986 19.705 301 HD1 PHE 49 HD2 PHE 49 -3.270 11.894 21.077 302 HD2 PHE 49 HD1 PHE 49 -2.178 12.363 16.991 303 HE1 PHE 49 HE2 PHE 49 -4.323 14.117 21.055 304 HE2 PHE 49 HE1 PHE 49 -3.227 14.588 16.962 305 HZ PHE 49 HZ PHE 49 -4.303 15.468 18.996 306 HA PRO 50 HA PRO 50 -1.256 11.458 23.570 307 HB2 PRO 50 HB2 PRO 50 -1.052 8.786 24.658 308 HB3 PRO 50 HB1 PRO 50 -2.474 9.822 24.550 309 HG2 PRO 50 HG2 PRO 50 -2.164 7.514 23.115 310 HG3 PRO 50 HG1 PRO 50 -3.172 8.874 22.591 311 HD2 PRO 50 HD2 PRO 50 -0.394 8.135 21.743 312 HD3 PRO 50 HD1 PRO 50 -1.752 8.718 20.758 313 H TRP 51 HN TRP 51 1.209 11.853 22.626 314 HA TRP 51 HA TRP 51 2.882 11.141 24.892 315 HB2 TRP 51 HB2 TRP 51 3.104 9.762 22.421 316 HB3 TRP 51 HB1 TRP 51 4.507 10.818 22.550 317 HD1 TRP 51 HD1 TRP 51 2.923 9.148 25.624 318 HE1 TRP 51 HE1 TRP 51 4.629 7.502 26.625 319 HE3 TRP 51 HE3 TRP 51 6.525 9.405 22.003 320 HZ2 TRP 51 HZ2 TRP 51 7.166 6.453 25.970 321 HZ3 TRP 51 HZ3 TRP 51 8.561 8.049 22.267 322 HH2 TRP 51 HH2 TRP 51 8.873 6.604 24.212 323 H ILE 52 HN ILE 52 5.308 12.067 23.901 324 HA ILE 52 HA ILE 52 5.006 14.856 24.205 325 HB ILE 52 HB ILE 52 7.343 13.152 23.357 326 HG12 ILE 52 HG12 ILE 52 8.228 13.763 25.547 327 HG13 ILE 52 HG11 ILE 52 6.849 14.820 25.834 328 HG21 ILE 52 HG21 ILE 52 8.067 15.030 22.302 329 HG22 ILE 52 HG22 ILE 52 8.569 15.444 23.942 330 HG23 ILE 52 HG23 ILE 52 7.070 16.101 23.287 331 HD11 ILE 52 HD11 ILE 52 5.367 12.970 25.976 332 HD12 ILE 52 HD12 ILE 52 6.760 12.622 27.001 333 HD13 ILE 52 HD13 ILE 52 6.616 11.854 25.420 334 H TRP 53 HN TRP 53 4.994 16.516 22.768 335 HA TRP 53 HA TRP 53 4.056 16.030 20.149 336 HB2 TRP 53 HB2 TRP 53 3.821 18.130 21.722 337 HB3 TRP 53 HB1 TRP 53 5.284 18.655 20.894 338 HD1 TRP 53 HD1 TRP 53 4.562 20.392 19.159 339 HE1 TRP 53 HE1 TRP 53 2.728 20.549 17.361 340 HE3 TRP 53 HE3 TRP 53 2.049 16.056 20.177 341 HZ2 TRP 53 HZ2 TRP 53 0.510 19.038 16.489 342 HZ3 TRP 53 HZ3 TRP 53 0.081 15.487 18.815 343 HH2 TRP 53 HH2 TRP 53 -0.672 16.949 17.009 344 H VAL 54 HN VAL 54 5.205 15.318 18.491 345 HA VAL 54 HA VAL 54 8.091 15.755 18.421 346 HB VAL 54 HB VAL 54 6.425 14.109 16.516 347 HG11 VAL 54 HG11 VAL 54 8.817 14.908 15.953 348 HG12 VAL 54 HG12 VAL 54 8.412 13.207 15.728 349 HG13 VAL 54 HG13 VAL 54 9.325 13.716 17.150 350 HG21 VAL 54 HG21 VAL 54 6.028 12.860 18.357 351 HG22 VAL 54 HG22 VAL 54 7.395 13.535 19.244 352 HG23 VAL 54 HG23 VAL 54 7.660 12.271 18.041 Start of MODEL 4 1 H1 SER 5 HT1 SER 5 -10.435 -16.435 -0.341 2 H2 SER 5 HT2 SER 5 -11.728 -16.079 -1.412 3 H3 SER 5 HT3 SER 5 -11.507 -17.679 -0.831 4 HA SER 5 HA SER 5 -13.315 -16.364 0.210 5 HB2 SER 5 HB2 SER 5 -12.440 -18.409 1.186 6 HB3 SER 5 HB1 SER 5 -11.060 -17.538 1.857 7 HG SER 5 HG SER 5 -13.786 -17.134 2.544 8 H GLN 6 HN GLN 6 -10.087 -15.593 1.530 9 HA GLN 6 HA GLN 6 -11.156 -12.994 2.396 10 HB2 GLN 6 HB2 GLN 6 -10.071 -14.659 4.046 11 HB3 GLN 6 HB1 GLN 6 -8.548 -14.178 3.313 12 HG2 GLN 6 HG2 GLN 6 -9.498 -11.758 3.837 13 HG3 GLN 6 HG1 GLN 6 -10.374 -12.655 5.076 14 HE21 GLN 6 HE21 GLN 6 -7.200 -11.819 3.856 15 HE22 GLN 6 HE22 GLN 6 -6.342 -12.134 5.322 16 H GLY 7 HN GLY 7 -10.739 -11.401 1.018 17 HA2 GLY 7 HA2 GLY 7 -8.006 -10.987 0.114 18 HA3 GLY 7 HA1 GLY 7 -9.193 -11.253 -1.155 19 H GLU 8 HN GLU 8 -7.529 -8.901 0.240 20 HA GLU 8 HA GLU 8 -9.654 -6.933 -0.239 21 HB2 GLU 8 HB2 GLU 8 -7.741 -6.941 2.100 22 HB3 GLU 8 HB1 GLU 8 -8.765 -5.580 1.664 23 HG2 GLU 8 HG2 GLU 8 -10.737 -6.785 2.166 24 HG3 GLU 8 HG1 GLU 8 -9.857 -8.306 2.294 25 H CYS 9 HN CYS 9 -7.729 -7.707 -2.085 26 HA CYS 9 HA CYS 9 -6.252 -6.824 -3.565 27 HB2 CYS 9 HB2 CYS 9 -7.499 -4.493 -2.295 28 HB3 CYS 9 HB1 CYS 9 -5.911 -4.158 -2.973 29 HA PRO 10 HA PRO 10 -2.455 -7.330 -1.295 30 HB2 PRO 10 HB2 PRO 10 -0.740 -6.838 -3.381 31 HB3 PRO 10 HB1 PRO 10 -1.548 -8.384 -3.101 32 HG2 PRO 10 HG2 PRO 10 -2.296 -6.163 -4.959 33 HG3 PRO 10 HG1 PRO 10 -2.311 -7.914 -5.245 34 HD2 PRO 10 HD2 PRO 10 -4.568 -6.569 -4.708 35 HD3 PRO 10 HD1 PRO 10 -4.301 -8.211 -4.088 36 H GLU 11 HN GLU 11 -0.122 -6.064 -1.687 37 HA GLU 11 HA GLU 11 -0.602 -3.493 -0.546 38 HB2 GLU 11 HB2 GLU 11 1.851 -5.098 -1.177 39 HB3 GLU 11 HB1 GLU 11 1.986 -3.421 -0.669 40 HG2 GLU 11 HG2 GLU 11 0.768 -3.969 1.393 41 HG3 GLU 11 HG1 GLU 11 0.700 -5.656 0.885 42 H GLY 12 HN GLY 12 1.131 -1.742 -1.328 43 HA2 GLY 12 HA2 GLY 12 1.506 -0.086 -2.867 44 HA3 GLY 12 HA1 GLY 12 1.838 -1.408 -3.974 45 H ARG 13 HN ARG 13 -1.318 -1.191 -2.598 46 HA ARG 13 HA ARG 13 -2.460 0.285 -4.802 47 HB2 ARG 13 HB2 ARG 13 -3.759 -1.555 -5.603 48 HB3 ARG 13 HB1 ARG 13 -2.067 -2.043 -5.555 49 HG2 ARG 13 HG2 ARG 13 -2.367 -3.504 -3.885 50 HG3 ARG 13 HG1 ARG 13 -3.684 -2.579 -3.159 51 HD2 ARG 13 HD2 ARG 13 -4.405 -4.747 -4.139 52 HD3 ARG 13 HD1 ARG 13 -5.218 -3.351 -4.835 53 HE ARG 13 HE ARG 13 -3.205 -5.025 -6.144 54 HH11 ARG 13 HH11 ARG 13 -5.475 -2.371 -6.328 55 HH12 ARG 13 HH12 ARG 13 -5.447 -2.314 -8.057 56 HH21 ARG 13 HH21 ARG 13 -3.173 -4.942 -8.412 57 HH22 ARG 13 HH22 ARG 13 -4.144 -3.769 -9.240 58 H ALA 14 HN ALA 14 -4.993 0.017 -4.619 59 HA ALA 14 HA ALA 14 -6.057 -0.556 -2.061 60 HB1 ALA 14 HB1 ALA 14 -6.702 1.875 -1.582 61 HB2 ALA 14 HB2 ALA 14 -5.380 2.290 -2.672 62 HB3 ALA 14 HB3 ALA 14 -5.056 1.356 -1.211 63 H TYR 15 HN TYR 15 -8.310 0.664 -1.842 64 HA TYR 15 HA TYR 15 -9.617 0.550 -4.480 65 HB2 TYR 15 HB2 TYR 15 -10.160 -1.423 -3.084 66 HB3 TYR 15 HB1 TYR 15 -10.776 -0.350 -1.833 67 HD1 TYR 15 HD1 TYR 15 -12.699 1.256 -2.550 68 HD2 TYR 15 HD2 TYR 15 -11.612 -2.254 -4.696 69 HE1 TYR 15 HE1 TYR 15 -14.918 1.223 -3.609 70 HE2 TYR 15 HE2 TYR 15 -13.828 -2.296 -5.761 71 HH TYR 15 HH TYR 15 -16.422 -0.362 -4.689 72 H SER 16 HN SER 16 -10.567 2.384 -5.058 73 HA SER 16 HA SER 16 -11.040 4.428 -3.023 74 HB2 SER 16 HB2 SER 16 -9.744 5.108 -4.988 75 HB3 SER 16 HB1 SER 16 -11.068 4.622 -6.046 76 HG SER 16 HG SER 16 -12.357 6.219 -4.965 77 H GLN 17 HN GLN 17 -12.982 4.585 -2.156 78 HA GLN 17 HA GLN 17 -15.266 3.281 -3.144 79 HB2 GLN 17 HB2 GLN 17 -14.864 5.419 -1.068 80 HB3 GLN 17 HB1 GLN 17 -16.469 4.827 -1.474 81 HG2 GLN 17 HG2 GLN 17 -14.441 2.779 -0.849 82 HG3 GLN 17 HG1 GLN 17 -14.963 3.805 0.486 83 HE21 GLN 17 HE21 GLN 17 -16.237 1.820 -2.152 84 HE22 GLN 17 HE22 GLN 17 -17.623 1.253 -1.292 85 H ASP 18 HN ASP 18 -13.938 6.430 -3.693 86 HA ASP 18 HA ASP 18 -16.211 7.750 -4.668 87 HB2 ASP 18 HB2 ASP 18 -13.555 8.404 -4.300 88 HB3 ASP 18 HB1 ASP 18 -13.725 8.448 -6.051 89 H LEU 19 HN LEU 19 -13.700 5.924 -6.400 90 HA LEU 19 HA LEU 19 -15.145 6.094 -8.877 91 HB2 LEU 19 HB2 LEU 19 -12.776 4.326 -8.402 92 HB3 LEU 19 HB1 LEU 19 -13.287 5.096 -9.893 93 HG LEU 19 HG LEU 19 -12.087 6.502 -7.506 94 HD11 LEU 19 HD11 LEU 19 -10.407 6.986 -9.534 95 HD12 LEU 19 HD12 LEU 19 -10.980 5.387 -10.006 96 HD13 LEU 19 HD13 LEU 19 -10.223 5.622 -8.431 97 HD21 LEU 19 HD21 LEU 19 -12.791 7.627 -10.212 98 HD22 LEU 19 HD22 LEU 19 -12.145 8.502 -8.823 99 HD23 LEU 19 HD23 LEU 19 -13.775 7.833 -8.763 100 H GLY 20 HN GLY 20 -14.774 3.865 -6.269 101 HA2 GLY 20 HA2 GLY 20 -15.993 1.972 -5.769 102 HA3 GLY 20 HA1 GLY 20 -16.926 2.242 -7.233 103 H LYS 21 HN LYS 21 -13.507 1.490 -6.523 104 HA LYS 21 HA LYS 21 -13.574 -1.126 -7.523 105 HB2 LYS 21 HB2 LYS 21 -12.288 -0.707 -9.665 106 HB3 LYS 21 HB1 LYS 21 -13.995 -0.286 -9.699 107 HG2 LYS 21 HG2 LYS 21 -13.588 1.923 -9.931 108 HG3 LYS 21 HG1 LYS 21 -12.127 1.871 -8.943 109 HD2 LYS 21 HD2 LYS 21 -10.949 0.759 -10.813 110 HD3 LYS 21 HD1 LYS 21 -12.405 0.928 -11.796 111 HE2 LYS 21 HE2 LYS 21 -12.271 3.340 -11.638 112 HE3 LYS 21 HE1 LYS 21 -10.887 3.219 -10.553 113 HZ1 LYS 21 HZ1 LYS 21 -9.985 1.832 -12.621 114 HZ2 LYS 21 HZ2 LYS 21 -9.769 3.503 -12.474 115 HZ3 LYS 21 HZ3 LYS 21 -11.017 2.894 -13.441 116 H CYS 22 HN CYS 22 -11.465 -2.116 -7.625 117 HA CYS 22 HA CYS 22 -9.578 -0.777 -5.869 118 HB2 CYS 22 HB2 CYS 22 -10.367 -3.407 -6.131 119 HB3 CYS 22 HB1 CYS 22 -8.788 -3.395 -6.909 120 H MET 23 HN MET 23 -7.617 -0.020 -6.433 121 HA MET 23 HA MET 23 -6.522 -0.627 -9.054 122 HB2 MET 23 HB2 MET 23 -7.346 1.303 -9.878 123 HB3 MET 23 HB1 MET 23 -7.799 1.882 -8.282 124 HG2 MET 23 HG2 MET 23 -6.302 3.466 -8.782 125 HG3 MET 23 HG1 MET 23 -5.188 2.277 -8.125 126 HE1 MET 23 HE1 MET 23 -5.100 4.337 -11.956 127 HE2 MET 23 HE2 MET 23 -6.298 4.440 -10.666 128 HE3 MET 23 HE3 MET 23 -6.562 3.355 -12.031 129 H GLU 24 HN GLU 24 -4.229 0.257 -9.217 130 HA GLU 24 HA GLU 24 -2.778 -0.513 -6.923 131 HB2 GLU 24 HB2 GLU 24 -0.794 0.053 -8.167 132 HB3 GLU 24 HB1 GLU 24 -1.928 -0.758 -9.245 133 HG2 GLU 24 HG2 GLU 24 -2.576 1.371 -10.187 134 HG3 GLU 24 HG1 GLU 24 -1.523 2.206 -9.047 135 H CYS 25 HN CYS 25 -1.142 0.763 -5.862 136 HA CYS 25 HA CYS 25 -2.204 3.391 -5.146 137 HB2 CYS 25 HB2 CYS 25 -1.599 1.610 -3.414 138 HB3 CYS 25 HB1 CYS 25 0.083 1.966 -3.791 139 H SER 26 HN SER 26 0.578 1.896 -6.610 140 HA SER 26 HA SER 26 2.345 4.076 -6.506 141 HB2 SER 26 HB2 SER 26 3.076 2.878 -8.818 142 HB3 SER 26 HB1 SER 26 3.503 2.249 -7.228 143 HG SER 26 HG SER 26 1.126 1.505 -8.568 144 H VAL 27 HN VAL 27 -0.579 3.649 -8.204 145 HA VAL 27 HA VAL 27 -0.096 5.127 -10.537 146 HB VAL 27 HB VAL 27 -2.156 3.723 -9.868 147 HG11 VAL 27 HG11 VAL 27 -3.087 6.413 -8.910 148 HG12 VAL 27 HG12 VAL 27 -2.809 4.992 -7.903 149 HG13 VAL 27 HG13 VAL 27 -4.091 4.978 -9.112 150 HG21 VAL 27 HG21 VAL 27 -1.993 6.109 -11.601 151 HG22 VAL 27 HG22 VAL 27 -3.589 5.409 -11.341 152 HG23 VAL 27 HG23 VAL 27 -2.295 4.422 -12.020 153 H CYS 28 HN CYS 28 -1.350 6.156 -7.433 154 HA CYS 28 HA CYS 28 -1.522 8.901 -8.179 155 HB2 CYS 28 HB2 CYS 28 -2.273 9.332 -5.975 156 HB3 CYS 28 HB1 CYS 28 -2.933 7.762 -6.415 157 H LYS 29 HN LYS 29 -0.461 10.606 -6.756 158 HA LYS 29 HA LYS 29 2.273 9.934 -5.987 159 HB2 LYS 29 HB2 LYS 29 2.077 10.716 -8.463 160 HB3 LYS 29 HB1 LYS 29 1.817 12.309 -7.768 161 HG2 LYS 29 HG2 LYS 29 3.961 12.417 -6.888 162 HG3 LYS 29 HG1 LYS 29 4.186 10.668 -6.968 163 HD2 LYS 29 HD2 LYS 29 4.712 10.701 -9.193 164 HD3 LYS 29 HD1 LYS 29 3.732 12.133 -9.514 165 HE2 LYS 29 HE2 LYS 29 6.290 12.201 -7.929 166 HE3 LYS 29 HE1 LYS 29 6.229 12.452 -9.673 167 HZ1 LYS 29 HZ1 LYS 29 4.548 14.065 -7.864 168 HZ2 LYS 29 HZ2 LYS 29 5.077 14.428 -9.429 169 HZ3 LYS 29 HZ3 LYS 29 6.165 14.484 -8.135 170 H ASN 30 HN ASN 30 3.362 11.984 -5.055 171 HA ASN 30 HA ASN 30 1.946 12.843 -2.836 172 HB2 ASN 30 HB2 ASN 30 4.514 13.381 -4.029 173 HB3 ASN 30 HB1 ASN 30 3.822 14.873 -3.399 174 HD21 ASN 30 HD21 ASN 30 5.023 11.717 -2.626 175 HD22 ASN 30 HD22 ASN 30 5.120 11.945 -0.917 176 H SER 31 HN SER 31 2.019 14.156 -6.062 177 HA SER 31 HA SER 31 0.373 16.432 -5.186 178 HB2 SER 31 HB2 SER 31 1.684 16.128 -7.889 179 HB3 SER 31 HB1 SER 31 1.048 17.596 -7.148 180 HG SER 31 HG SER 31 2.723 17.232 -5.497 181 H GLU 32 HN GLU 32 -1.534 15.141 -5.023 182 HA GLU 32 HA GLU 32 -3.040 15.060 -7.450 183 HB2 GLU 32 HB2 GLU 32 -1.574 12.818 -7.115 184 HB3 GLU 32 HB1 GLU 32 -3.006 12.377 -6.197 185 HG2 GLU 32 HG2 GLU 32 -4.181 12.006 -8.039 186 HG3 GLU 32 HG1 GLU 32 -3.707 13.553 -8.738 187 H LYS 33 HN LYS 33 -5.144 13.503 -6.789 188 HA LYS 33 HA LYS 33 -6.010 14.479 -4.150 189 HB2 LYS 33 HB2 LYS 33 -8.216 14.958 -5.058 190 HB3 LYS 33 HB1 LYS 33 -6.991 15.859 -5.941 191 HG2 LYS 33 HG2 LYS 33 -7.780 13.223 -7.034 192 HG3 LYS 33 HG1 LYS 33 -8.952 14.536 -7.148 193 HD2 LYS 33 HD2 LYS 33 -6.101 14.639 -8.135 194 HD3 LYS 33 HD1 LYS 33 -7.526 14.393 -9.145 195 HE2 LYS 33 HE2 LYS 33 -7.528 16.616 -9.390 196 HE3 LYS 33 HE1 LYS 33 -8.172 16.662 -7.748 197 HZ1 LYS 33 HZ1 LYS 33 -6.394 18.006 -7.466 198 HZ2 LYS 33 HZ2 LYS 33 -5.496 17.299 -8.713 199 HZ3 LYS 33 HZ3 LYS 33 -5.596 16.536 -7.207 200 H SER 34 HN SER 34 -4.946 11.932 -4.613 201 HA SER 34 HA SER 34 -7.025 10.015 -5.036 202 HB2 SER 34 HB2 SER 34 -4.348 9.850 -5.180 203 HB3 SER 34 HB1 SER 34 -4.582 9.218 -3.551 204 HG SER 34 HG SER 34 -5.062 7.424 -4.517 205 H ASP 35 HN ASP 35 -8.148 8.798 -3.569 206 HA ASP 35 HA ASP 35 -7.976 9.665 -0.757 207 HB2 ASP 35 HB2 ASP 35 -10.086 10.221 -2.194 208 HB3 ASP 35 HB1 ASP 35 -10.488 8.523 -1.944 209 H PHE 36 HN PHE 36 -7.734 7.043 -2.907 210 HA PHE 36 HA PHE 36 -8.220 5.078 -0.795 211 HB2 PHE 36 HB2 PHE 36 -8.540 3.475 -2.468 212 HB3 PHE 36 HB1 PHE 36 -9.220 4.931 -3.176 213 HD1 PHE 36 HD1 PHE 36 -6.514 6.221 -3.869 214 HD2 PHE 36 HD2 PHE 36 -8.112 2.331 -4.491 215 HE1 PHE 36 HE1 PHE 36 -5.036 5.932 -5.805 216 HE2 PHE 36 HE2 PHE 36 -6.630 2.032 -6.432 217 HZ PHE 36 HZ PHE 36 -5.087 3.839 -7.082 218 H CYS 37 HN CYS 37 -5.606 6.632 -2.332 219 HA CYS 37 HA CYS 37 -3.730 4.539 -2.185 220 HB2 CYS 37 HB2 CYS 37 -3.582 7.500 -2.395 221 HB3 CYS 37 HB1 CYS 37 -2.129 6.654 -1.868 222 H GLN 38 HN GLN 38 -5.506 5.696 0.248 223 HA GLN 38 HA GLN 38 -3.399 5.696 2.251 224 HB2 GLN 38 HB2 GLN 38 -6.177 5.709 3.193 225 HB3 GLN 38 HB1 GLN 38 -4.856 6.796 3.596 226 HG2 GLN 38 HG2 GLN 38 -6.549 6.926 1.113 227 HG3 GLN 38 HG1 GLN 38 -6.725 7.954 2.535 228 HE21 GLN 38 HE21 GLN 38 -5.346 9.646 2.838 229 HE22 GLN 38 HE22 GLN 38 -4.170 10.141 1.673 230 H ASN 39 HN ASN 39 -5.506 3.572 0.680 231 HA ASN 39 HA ASN 39 -5.799 1.686 2.826 232 HB2 ASN 39 HB2 ASN 39 -6.952 2.034 0.294 233 HB3 ASN 39 HB1 ASN 39 -6.083 0.502 0.202 234 HD21 ASN 39 HD21 ASN 39 -7.200 -1.201 0.775 235 HD22 ASN 39 HD22 ASN 39 -8.536 -1.229 1.869 236 H CYS 40 HN CYS 40 -3.727 2.041 0.027 237 HA CYS 40 HA CYS 40 -2.303 -0.354 0.253 238 HB2 CYS 40 HB2 CYS 40 -0.832 0.534 -1.339 239 HB3 CYS 40 HB1 CYS 40 -2.329 1.401 -1.656 240 HA PRO 41 HA PRO 41 0.361 0.017 3.749 241 HB2 PRO 41 HB2 PRO 41 2.841 -0.506 2.602 242 HB3 PRO 41 HB1 PRO 41 1.698 -1.727 3.169 243 HG2 PRO 41 HG2 PRO 41 2.159 -0.698 0.401 244 HG3 PRO 41 HG1 PRO 41 1.829 -2.354 0.945 245 HD2 PRO 41 HD2 PRO 41 -0.087 -0.874 -0.185 246 HD3 PRO 41 HD1 PRO 41 -0.454 -1.952 1.179 247 H SER 42 HN SER 42 2.750 0.968 4.227 248 HA SER 42 HA SER 42 3.020 3.554 2.873 249 HB2 SER 42 HB2 SER 42 3.471 4.503 5.254 250 HB3 SER 42 HB1 SER 42 1.802 4.266 4.737 251 HG SER 42 HG SER 42 3.305 2.405 6.267 252 H LYS 43 HN LYS 43 5.083 4.678 3.562 253 HA LYS 43 HA LYS 43 7.201 3.300 4.773 254 HB2 LYS 43 HB2 LYS 43 7.034 1.802 2.843 255 HB3 LYS 43 HB1 LYS 43 7.196 3.171 1.752 256 HG2 LYS 43 HG2 LYS 43 9.448 3.532 2.398 257 HG3 LYS 43 HG1 LYS 43 9.307 2.409 3.752 258 HD2 LYS 43 HD2 LYS 43 9.740 0.638 2.454 259 HD3 LYS 43 HD1 LYS 43 8.624 1.184 1.200 260 HE2 LYS 43 HE2 LYS 43 10.731 1.168 0.169 261 HE3 LYS 43 HE1 LYS 43 10.429 2.861 0.554 262 HZ1 LYS 43 HZ1 LYS 43 12.055 2.894 2.111 263 HZ2 LYS 43 HZ2 LYS 43 12.697 1.671 1.136 264 HZ3 LYS 43 HZ3 LYS 43 11.853 1.270 2.545 265 H THR 44 HN THR 44 8.668 4.781 5.329 266 HA THR 44 HA THR 44 9.621 6.822 3.630 267 HB THR 44 HB THR 44 7.497 7.892 3.941 268 HG1 THR 44 HG1 THR 44 8.171 9.782 5.064 269 HG21 THR 44 HG21 THR 44 6.516 6.923 5.822 270 HG22 THR 44 HG22 THR 44 6.817 8.598 6.286 271 HG23 THR 44 HG23 THR 44 7.891 7.319 6.854 272 H GLU 45 HN GLU 45 10.985 8.435 4.875 273 HA GLU 45 HA GLU 45 12.352 6.992 7.021 274 HB2 GLU 45 HB2 GLU 45 13.237 9.402 5.424 275 HB3 GLU 45 HB1 GLU 45 14.214 8.543 6.607 276 HG2 GLU 45 HG2 GLU 45 14.940 7.754 4.536 277 HG3 GLU 45 HG1 GLU 45 13.886 6.486 5.157 278 H GLN 46 HN GLN 46 13.579 8.825 8.477 279 HA GLN 46 HA GLN 46 11.402 10.062 9.934 280 HB2 GLN 46 HB2 GLN 46 13.933 8.974 10.603 281 HB3 GLN 46 HB1 GLN 46 13.965 10.670 11.063 282 HG2 GLN 46 HG2 GLN 46 11.501 9.770 11.954 283 HG3 GLN 46 HG1 GLN 46 12.606 8.439 12.298 284 HE21 GLN 46 HE21 GLN 46 14.404 8.825 13.652 285 HE22 GLN 46 HE22 GLN 46 14.404 10.135 14.780 286 HA PRO 47 HA PRO 47 11.776 14.097 8.122 287 HB2 PRO 47 HB2 PRO 47 11.132 15.024 10.878 288 HB3 PRO 47 HB1 PRO 47 10.359 15.434 9.342 289 HG2 PRO 47 HG2 PRO 47 9.182 13.764 11.046 290 HG3 PRO 47 HG1 PRO 47 9.110 13.480 9.297 291 HD2 PRO 47 HD2 PRO 47 10.772 12.121 11.371 292 HD3 PRO 47 HD1 PRO 47 9.999 11.446 9.923 293 H ASP 48 HN ASP 48 13.578 15.211 7.759 294 HA ASP 48 HA ASP 48 15.253 16.069 9.978 295 HB2 ASP 48 HB2 ASP 48 15.946 13.750 8.731 296 HB3 ASP 48 HB1 ASP 48 16.813 14.924 7.747 297 H PHE 49 HN PHE 49 13.563 17.547 8.312 298 HA PHE 49 HA PHE 49 15.501 19.066 6.691 299 HB2 PHE 49 HB2 PHE 49 12.515 18.975 6.238 300 HB3 PHE 49 HB1 PHE 49 13.737 19.680 5.185 301 HD1 PHE 49 HD2 PHE 49 15.194 18.254 3.843 302 HD2 PHE 49 HD1 PHE 49 12.096 16.619 6.260 303 HE1 PHE 49 HE2 PHE 49 15.369 16.125 2.622 304 HE2 PHE 49 HE1 PHE 49 12.267 14.488 5.043 305 HZ PHE 49 HZ PHE 49 13.903 14.239 3.221 306 HA PRO 50 HA PRO 50 14.771 22.602 9.211 307 HB2 PRO 50 HB2 PRO 50 14.831 24.612 7.359 308 HB3 PRO 50 HB1 PRO 50 16.276 23.787 7.954 309 HG2 PRO 50 HG2 PRO 50 14.741 23.336 5.424 310 HG3 PRO 50 HG1 PRO 50 16.497 23.383 5.676 311 HD2 PRO 50 HD2 PRO 50 15.152 21.061 5.437 312 HD3 PRO 50 HD1 PRO 50 16.566 21.225 6.501 313 H TRP 51 HN TRP 51 12.854 22.986 10.110 314 HA TRP 51 HA TRP 51 10.689 23.606 10.409 315 HB2 TRP 51 HB2 TRP 51 11.279 25.035 7.821 316 HB3 TRP 51 HB1 TRP 51 9.717 25.159 8.624 317 HD1 TRP 51 HD1 TRP 51 10.789 25.383 11.631 318 HE1 TRP 51 HE1 TRP 51 11.935 27.559 12.391 319 HE3 TRP 51 HE3 TRP 51 12.132 27.236 7.059 320 HZ2 TRP 51 HZ2 TRP 51 13.236 29.768 11.210 321 HZ3 TRP 51 HZ3 TRP 51 13.323 29.387 6.962 322 HH2 TRP 51 HH2 TRP 51 13.862 30.625 8.995 323 H ILE 52 HN ILE 52 9.151 22.127 10.360 324 HA ILE 52 HA ILE 52 8.800 20.405 8.068 325 HB ILE 52 HB ILE 52 7.106 20.452 10.561 326 HG12 ILE 52 HG12 ILE 52 9.428 20.276 11.260 327 HG13 ILE 52 HG11 ILE 52 8.640 18.711 11.442 328 HG21 ILE 52 HG21 ILE 52 6.971 17.976 9.968 329 HG22 ILE 52 HG22 ILE 52 7.635 18.437 8.400 330 HG23 ILE 52 HG23 ILE 52 6.092 19.103 8.935 331 HD11 ILE 52 HD11 ILE 52 9.667 17.952 9.367 332 HD12 ILE 52 HD12 ILE 52 10.878 18.476 10.538 333 HD13 ILE 52 HD13 ILE 52 10.452 19.520 9.181 334 H TRP 53 HN TRP 53 6.646 19.982 7.150 335 HA TRP 53 HA TRP 53 4.717 20.617 6.125 336 HB2 TRP 53 HB2 TRP 53 4.071 21.205 8.514 337 HB3 TRP 53 HB1 TRP 53 4.515 22.865 8.131 338 HD1 TRP 53 HD1 TRP 53 1.973 20.162 7.055 339 HE1 TRP 53 HE1 TRP 53 -0.105 21.350 6.107 340 HE3 TRP 53 HE3 TRP 53 3.664 24.986 7.185 341 HZ2 TRP 53 HZ2 TRP 53 -0.919 23.982 5.494 342 HZ3 TRP 53 HZ3 TRP 53 2.174 26.779 6.400 343 HH2 TRP 53 HH2 TRP 53 -0.070 26.286 5.572 344 H VAL 54 HN VAL 54 5.771 21.224 4.239 345 HA VAL 54 HA VAL 54 6.641 22.591 2.627 346 HB VAL 54 HB VAL 54 4.213 23.133 2.603 347 HG11 VAL 54 HG11 VAL 54 5.089 25.405 4.373 348 HG12 VAL 54 HG12 VAL 54 3.877 24.170 4.712 349 HG13 VAL 54 HG13 VAL 54 3.567 25.395 3.483 350 HG21 VAL 54 HG21 VAL 54 4.484 24.651 0.943 351 HG22 VAL 54 HG22 VAL 54 6.182 24.235 1.174 352 HG23 VAL 54 HG23 VAL 54 5.523 25.694 1.914 Start of MODEL 5 1 H1 SER 5 HT1 SER 5 -11.174 -11.348 -2.907 2 H2 SER 5 HT2 SER 5 -12.531 -12.241 -2.354 3 H3 SER 5 HT3 SER 5 -10.955 -12.635 -1.797 4 HA SER 5 HA SER 5 -12.621 -10.311 -1.167 5 HB2 SER 5 HB2 SER 5 -11.045 -12.195 0.598 6 HB3 SER 5 HB1 SER 5 -12.306 -11.065 1.090 7 HG SER 5 HG SER 5 -13.825 -12.346 0.147 8 H GLN 6 HN GLN 6 -11.581 -8.731 0.275 9 HA GLN 6 HA GLN 6 -9.958 -7.233 0.822 10 HB2 GLN 6 HB2 GLN 6 -8.720 -9.472 1.331 11 HB3 GLN 6 HB1 GLN 6 -7.819 -9.103 -0.132 12 HG2 GLN 6 HG2 GLN 6 -7.535 -6.766 1.071 13 HG3 GLN 6 HG1 GLN 6 -7.798 -7.755 2.507 14 HE21 GLN 6 HE21 GLN 6 -5.632 -6.885 0.003 15 HE22 GLN 6 HE22 GLN 6 -4.297 -7.857 0.511 16 H GLY 7 HN GLY 7 -10.854 -7.947 -2.129 17 HA2 GLY 7 HA2 GLY 7 -10.704 -6.612 -4.026 18 HA3 GLY 7 HA1 GLY 7 -9.353 -5.764 -3.292 19 H GLU 8 HN GLU 8 -8.392 -8.787 -2.872 20 HA GLU 8 HA GLU 8 -6.743 -10.019 -3.830 21 HB2 GLU 8 HB2 GLU 8 -9.066 -10.082 -5.422 22 HB3 GLU 8 HB1 GLU 8 -7.706 -10.018 -6.535 23 HG2 GLU 8 HG2 GLU 8 -7.472 -11.919 -4.296 24 HG3 GLU 8 HG1 GLU 8 -8.695 -12.288 -5.511 25 H CYS 9 HN CYS 9 -6.173 -7.265 -3.722 26 HA CYS 9 HA CYS 9 -4.648 -6.840 -6.207 27 HB2 CYS 9 HB2 CYS 9 -5.533 -4.802 -4.153 28 HB3 CYS 9 HB1 CYS 9 -4.627 -4.450 -5.620 29 HA PRO 10 HA PRO 10 -1.073 -7.888 -3.671 30 HB2 PRO 10 HB2 PRO 10 0.335 -6.601 -5.954 31 HB3 PRO 10 HB1 PRO 10 0.600 -8.186 -5.216 32 HG2 PRO 10 HG2 PRO 10 -0.605 -7.968 -7.583 33 HG3 PRO 10 HG1 PRO 10 -1.139 -9.171 -6.393 34 HD2 PRO 10 HD2 PRO 10 -2.379 -6.555 -7.135 35 HD3 PRO 10 HD1 PRO 10 -3.158 -8.098 -6.725 36 H GLU 11 HN GLU 11 1.139 -6.531 -3.332 37 HA GLU 11 HA GLU 11 0.480 -4.309 -1.802 38 HB2 GLU 11 HB2 GLU 11 2.875 -3.850 -1.704 39 HB3 GLU 11 HB1 GLU 11 2.573 -5.573 -1.532 40 HG2 GLU 11 HG2 GLU 11 3.051 -4.670 -4.281 41 HG3 GLU 11 HG1 GLU 11 4.418 -4.485 -3.183 42 H GLY 12 HN GLY 12 1.778 -2.140 -2.245 43 HA2 GLY 12 HA2 GLY 12 1.610 -0.136 -3.380 44 HA3 GLY 12 HA1 GLY 12 2.116 -1.083 -4.775 45 H ARG 13 HN ARG 13 -0.836 -1.298 -2.861 46 HA ARG 13 HA ARG 13 -2.427 -0.650 -5.268 47 HB2 ARG 13 HB2 ARG 13 -4.018 -2.310 -4.563 48 HB3 ARG 13 HB1 ARG 13 -2.417 -3.047 -4.617 49 HG2 ARG 13 HG2 ARG 13 -2.390 -3.438 -2.424 50 HG3 ARG 13 HG1 ARG 13 -3.066 -1.854 -2.044 51 HD2 ARG 13 HD2 ARG 13 -5.254 -2.967 -3.052 52 HD3 ARG 13 HD1 ARG 13 -4.442 -4.446 -2.539 53 HE ARG 13 HE ARG 13 -4.366 -2.627 -0.419 54 HH11 ARG 13 HH11 ARG 13 -6.704 -4.497 -2.212 55 HH12 ARG 13 HH12 ARG 13 -7.802 -4.633 -0.880 56 HH21 ARG 13 HH21 ARG 13 -5.807 -2.807 1.334 57 HH22 ARG 13 HH22 ARG 13 -7.293 -3.675 1.135 58 H ALA 14 HN ALA 14 -4.824 -0.379 -4.513 59 HA ALA 14 HA ALA 14 -5.493 0.597 -2.010 60 HB1 ALA 14 HB1 ALA 14 -5.829 3.078 -2.986 61 HB2 ALA 14 HB2 ALA 14 -4.324 2.630 -3.793 62 HB3 ALA 14 HB3 ALA 14 -4.431 2.582 -2.033 63 H TYR 15 HN TYR 15 -7.680 1.157 -1.859 64 HA TYR 15 HA TYR 15 -9.217 0.743 -4.336 65 HB2 TYR 15 HB2 TYR 15 -9.481 -1.135 -2.799 66 HB3 TYR 15 HB1 TYR 15 -9.930 -0.037 -1.500 67 HD1 TYR 15 HD1 TYR 15 -12.090 1.249 -1.689 68 HD2 TYR 15 HD2 TYR 15 -11.092 -1.936 -4.327 69 HE1 TYR 15 HE1 TYR 15 -14.457 1.042 -2.326 70 HE2 TYR 15 HE2 TYR 15 -13.455 -2.150 -4.973 71 HH TYR 15 HH TYR 15 -15.485 -0.911 -4.977 72 H SER 16 HN SER 16 -10.721 2.228 -4.872 73 HA SER 16 HA SER 16 -11.103 4.459 -2.989 74 HB2 SER 16 HB2 SER 16 -10.522 5.802 -4.683 75 HB3 SER 16 HB1 SER 16 -10.360 4.409 -5.751 76 HG SER 16 HG SER 16 -12.272 6.303 -5.708 77 H GLN 17 HN GLN 17 -13.001 4.424 -2.005 78 HA GLN 17 HA GLN 17 -15.187 2.856 -2.805 79 HB2 GLN 17 HB2 GLN 17 -14.765 5.010 -0.784 80 HB3 GLN 17 HB1 GLN 17 -16.414 4.527 -1.160 81 HG2 GLN 17 HG2 GLN 17 -16.211 2.532 -0.135 82 HG3 GLN 17 HG1 GLN 17 -14.524 2.337 -0.609 83 HE21 GLN 17 HE21 GLN 17 -13.067 4.067 0.472 84 HE22 GLN 17 HE22 GLN 17 -13.295 4.250 2.175 85 H ASP 18 HN ASP 18 -14.212 6.052 -3.664 86 HA ASP 18 HA ASP 18 -16.679 7.098 -4.510 87 HB2 ASP 18 HB2 ASP 18 -13.831 7.673 -5.316 88 HB3 ASP 18 HB1 ASP 18 -15.191 8.527 -6.041 89 H LEU 19 HN LEU 19 -14.074 5.620 -6.437 90 HA LEU 19 HA LEU 19 -15.702 5.410 -8.765 91 HB2 LEU 19 HB2 LEU 19 -12.949 4.629 -7.993 92 HB3 LEU 19 HB1 LEU 19 -13.677 3.747 -9.323 93 HG LEU 19 HG LEU 19 -13.981 5.796 -10.581 94 HD11 LEU 19 HD11 LEU 19 -12.676 7.827 -9.442 95 HD12 LEU 19 HD12 LEU 19 -13.286 7.036 -7.989 96 HD13 LEU 19 HD13 LEU 19 -14.409 7.568 -9.241 97 HD21 LEU 19 HD21 LEU 19 -11.653 4.543 -10.241 98 HD22 LEU 19 HD22 LEU 19 -11.196 6.137 -9.639 99 HD23 LEU 19 HD23 LEU 19 -11.828 5.960 -11.275 100 H GLY 20 HN GLY 20 -15.112 3.448 -6.007 101 HA2 GLY 20 HA2 GLY 20 -16.134 1.508 -5.312 102 HA3 GLY 20 HA1 GLY 20 -17.170 1.612 -6.728 103 H LYS 21 HN LYS 21 -13.636 1.254 -6.378 104 HA LYS 21 HA LYS 21 -13.627 -1.474 -7.164 105 HB2 LYS 21 HB2 LYS 21 -12.402 -1.014 -9.375 106 HB3 LYS 21 HB1 LYS 21 -14.152 -0.845 -9.356 107 HG2 LYS 21 HG2 LYS 21 -13.660 1.653 -8.885 108 HG3 LYS 21 HG1 LYS 21 -12.051 1.272 -9.503 109 HD2 LYS 21 HD2 LYS 21 -13.056 0.422 -11.572 110 HD3 LYS 21 HD1 LYS 21 -14.659 0.824 -10.954 111 HE2 LYS 21 HE2 LYS 21 -14.364 3.065 -11.256 112 HE3 LYS 21 HE1 LYS 21 -12.621 2.980 -11.001 113 HZ1 LYS 21 HZ1 LYS 21 -12.234 2.549 -13.170 114 HZ2 LYS 21 HZ2 LYS 21 -13.707 3.355 -13.378 115 HZ3 LYS 21 HZ3 LYS 21 -13.661 1.664 -13.382 116 H CYS 22 HN CYS 22 -11.400 -2.283 -7.562 117 HA CYS 22 HA CYS 22 -9.549 -0.838 -5.835 118 HB2 CYS 22 HB2 CYS 22 -9.958 -3.244 -5.425 119 HB3 CYS 22 HB1 CYS 22 -9.318 -3.613 -7.022 120 H MET 23 HN MET 23 -7.381 -0.451 -6.407 121 HA MET 23 HA MET 23 -6.602 -0.687 -9.193 122 HB2 MET 23 HB2 MET 23 -5.856 1.910 -8.779 123 HB3 MET 23 HB1 MET 23 -7.284 1.411 -9.666 124 HG2 MET 23 HG2 MET 23 -7.558 1.698 -6.749 125 HG3 MET 23 HG1 MET 23 -7.317 3.173 -7.681 126 HE1 MET 23 HE1 MET 23 -10.272 4.272 -8.809 127 HE2 MET 23 HE2 MET 23 -9.725 3.350 -10.208 128 HE3 MET 23 HE3 MET 23 -8.549 4.139 -9.157 129 H GLU 24 HN GLU 24 -4.347 1.026 -9.021 130 HA GLU 24 HA GLU 24 -2.789 -0.440 -7.000 131 HB2 GLU 24 HB2 GLU 24 -0.963 -0.529 -8.422 132 HB3 GLU 24 HB1 GLU 24 -2.318 -0.788 -9.515 133 HG2 GLU 24 HG2 GLU 24 -2.095 1.871 -9.655 134 HG3 GLU 24 HG1 GLU 24 -0.427 1.443 -9.288 135 H CYS 25 HN CYS 25 -1.340 0.585 -5.731 136 HA CYS 25 HA CYS 25 -1.689 3.383 -5.283 137 HB2 CYS 25 HB2 CYS 25 -1.156 1.536 -3.549 138 HB3 CYS 25 HB1 CYS 25 0.505 1.686 -4.105 139 H SER 26 HN SER 26 0.573 1.327 -6.938 140 HA SER 26 HA SER 26 2.754 3.027 -7.202 141 HB2 SER 26 HB2 SER 26 2.658 1.795 -9.655 142 HB3 SER 26 HB1 SER 26 3.345 1.076 -8.199 143 HG SER 26 HG SER 26 1.524 -0.008 -9.543 144 H VAL 27 HN VAL 27 -0.432 3.193 -8.545 145 HA VAL 27 HA VAL 27 0.167 4.898 -10.737 146 HB VAL 27 HB VAL 27 -2.335 4.126 -9.313 147 HG11 VAL 27 HG11 VAL 27 -3.627 5.657 -10.819 148 HG12 VAL 27 HG12 VAL 27 -2.110 6.481 -11.178 149 HG13 VAL 27 HG13 VAL 27 -2.738 6.467 -9.530 150 HG21 VAL 27 HG21 VAL 27 -2.201 4.233 -12.243 151 HG22 VAL 27 HG22 VAL 27 -2.756 2.943 -11.177 152 HG23 VAL 27 HG23 VAL 27 -1.032 3.155 -11.483 153 H CYS 28 HN CYS 28 -0.259 5.436 -7.351 154 HA CYS 28 HA CYS 28 -0.855 8.199 -7.439 155 HB2 CYS 28 HB2 CYS 28 -0.208 6.222 -5.396 156 HB3 CYS 28 HB1 CYS 28 0.482 7.799 -5.039 157 H LYS 29 HN LYS 29 0.923 9.538 -5.916 158 HA LYS 29 HA LYS 29 3.500 9.308 -7.312 159 HB2 LYS 29 HB2 LYS 29 1.609 11.340 -7.739 160 HB3 LYS 29 HB1 LYS 29 2.857 12.068 -6.737 161 HG2 LYS 29 HG2 LYS 29 3.532 10.519 -9.213 162 HG3 LYS 29 HG1 LYS 29 3.112 12.232 -9.267 163 HD2 LYS 29 HD2 LYS 29 4.926 12.410 -7.378 164 HD3 LYS 29 HD1 LYS 29 5.497 10.892 -8.076 165 HE2 LYS 29 HE2 LYS 29 6.698 12.337 -9.357 166 HE3 LYS 29 HE1 LYS 29 5.227 12.273 -10.327 167 HZ1 LYS 29 HZ1 LYS 29 4.532 14.335 -9.545 168 HZ2 LYS 29 HZ2 LYS 29 6.194 14.548 -9.780 169 HZ3 LYS 29 HZ3 LYS 29 5.585 14.312 -8.220 170 H ASN 30 HN ASN 30 1.931 11.254 -4.762 171 HA ASN 30 HA ASN 30 3.485 10.239 -2.657 172 HB2 ASN 30 HB2 ASN 30 4.856 12.143 -4.277 173 HB3 ASN 30 HB1 ASN 30 4.516 12.899 -2.724 174 HD21 ASN 30 HD21 ASN 30 6.626 10.975 -4.404 175 HD22 ASN 30 HD22 ASN 30 7.487 10.286 -3.075 176 H SER 31 HN SER 31 1.853 13.101 -3.942 177 HA SER 31 HA SER 31 0.060 13.139 -1.690 178 HB2 SER 31 HB2 SER 31 2.198 14.454 -1.032 179 HB3 SER 31 HB1 SER 31 1.600 15.682 -2.147 180 HG SER 31 HG SER 31 0.950 15.840 0.152 181 H GLU 32 HN GLU 32 -1.842 13.374 -2.645 182 HA GLU 32 HA GLU 32 -2.405 15.629 -4.317 183 HB2 GLU 32 HB2 GLU 32 -3.203 14.240 -6.258 184 HB3 GLU 32 HB1 GLU 32 -1.457 14.307 -6.061 185 HG2 GLU 32 HG2 GLU 32 -2.897 12.061 -4.772 186 HG3 GLU 32 HG1 GLU 32 -2.752 12.045 -6.528 187 H LYS 33 HN LYS 33 -4.749 15.157 -5.366 188 HA LYS 33 HA LYS 33 -6.443 14.678 -3.083 189 HB2 LYS 33 HB2 LYS 33 -6.873 15.676 -5.874 190 HB3 LYS 33 HB1 LYS 33 -8.252 15.154 -4.917 191 HG2 LYS 33 HG2 LYS 33 -7.194 16.761 -3.123 192 HG3 LYS 33 HG1 LYS 33 -6.465 17.498 -4.550 193 HD2 LYS 33 HD2 LYS 33 -8.643 17.848 -5.533 194 HD3 LYS 33 HD1 LYS 33 -9.417 16.985 -4.204 195 HE2 LYS 33 HE2 LYS 33 -8.894 18.691 -2.660 196 HE3 LYS 33 HE1 LYS 33 -7.750 19.447 -3.768 197 HZ1 LYS 33 HZ1 LYS 33 -9.541 20.134 -5.170 198 HZ2 LYS 33 HZ2 LYS 33 -9.895 20.628 -3.592 199 HZ3 LYS 33 HZ3 LYS 33 -10.674 19.278 -4.249 200 H SER 34 HN SER 34 -5.639 12.365 -3.039 201 HA SER 34 HA SER 34 -7.349 10.683 -4.756 202 HB2 SER 34 HB2 SER 34 -4.621 10.100 -3.600 203 HB3 SER 34 HB1 SER 34 -5.653 8.874 -4.336 204 HG SER 34 HG SER 34 -3.973 10.142 -5.650 205 H ASP 35 HN ASP 35 -9.013 9.927 -3.660 206 HA ASP 35 HA ASP 35 -8.981 9.718 -0.787 207 HB2 ASP 35 HB2 ASP 35 -11.005 10.445 -2.006 208 HB3 ASP 35 HB1 ASP 35 -11.103 8.861 -2.769 209 H PHE 36 HN PHE 36 -7.943 7.750 -3.267 210 HA PHE 36 HA PHE 36 -8.443 5.281 -1.776 211 HB2 PHE 36 HB2 PHE 36 -8.772 4.312 -3.780 212 HB3 PHE 36 HB1 PHE 36 -8.655 5.910 -4.500 213 HD1 PHE 36 HD2 PHE 36 -5.961 6.651 -4.575 214 HD2 PHE 36 HD1 PHE 36 -7.623 2.753 -4.918 215 HE1 PHE 36 HE2 PHE 36 -3.954 5.903 -5.794 216 HE2 PHE 36 HE1 PHE 36 -5.624 1.997 -6.133 217 HZ PHE 36 HZ PHE 36 -3.792 3.568 -6.562 218 H CYS 37 HN CYS 37 -5.963 7.475 -2.654 219 HA CYS 37 HA CYS 37 -3.781 5.700 -2.303 220 HB2 CYS 37 HB2 CYS 37 -4.011 8.283 -3.139 221 HB3 CYS 37 HB1 CYS 37 -3.375 8.517 -1.516 222 H GLN 38 HN GLN 38 -6.137 6.401 -0.208 223 HA GLN 38 HA GLN 38 -4.473 6.685 2.167 224 HB2 GLN 38 HB2 GLN 38 -7.349 6.145 2.504 225 HB3 GLN 38 HB1 GLN 38 -6.349 7.391 3.237 226 HG2 GLN 38 HG2 GLN 38 -6.483 8.702 1.180 227 HG3 GLN 38 HG1 GLN 38 -7.487 7.447 0.455 228 HE21 GLN 38 HE21 GLN 38 -7.341 10.021 2.782 229 HE22 GLN 38 HE22 GLN 38 -9.043 10.140 3.063 230 H ASN 39 HN ASN 39 -5.784 4.286 0.185 231 HA ASN 39 HA ASN 39 -6.158 2.279 2.203 232 HB2 ASN 39 HB2 ASN 39 -6.649 2.533 -0.613 233 HB3 ASN 39 HB1 ASN 39 -5.793 1.025 -0.292 234 HD21 ASN 39 HD21 ASN 39 -8.083 2.733 1.770 235 HD22 ASN 39 HD22 ASN 39 -9.264 1.473 1.807 236 H CYS 40 HN CYS 40 -3.623 3.178 -0.009 237 HA CYS 40 HA CYS 40 -1.845 1.204 -0.111 238 HB2 CYS 40 HB2 CYS 40 -1.681 3.885 -0.507 239 HB3 CYS 40 HB1 CYS 40 -0.596 3.694 0.864 240 HA PRO 41 HA PRO 41 -0.073 1.843 4.326 241 HB2 PRO 41 HB2 PRO 41 -1.432 3.421 6.054 242 HB3 PRO 41 HB1 PRO 41 -0.199 4.053 4.958 243 HG2 PRO 41 HG2 PRO 41 -3.180 4.083 4.675 244 HG3 PRO 41 HG1 PRO 41 -2.013 5.379 4.350 245 HD2 PRO 41 HD2 PRO 41 -3.079 3.848 2.388 246 HD3 PRO 41 HD1 PRO 41 -1.440 4.519 2.294 247 H SER 42 HN SER 42 -0.468 0.559 6.135 248 HA SER 42 HA SER 42 -3.174 -0.601 6.270 249 HB2 SER 42 HB2 SER 42 -0.455 -1.812 6.433 250 HB3 SER 42 HB1 SER 42 -1.728 -2.524 7.424 251 HG SER 42 HG SER 42 -2.042 -2.026 4.655 252 H LYS 43 HN LYS 43 -3.887 0.945 7.792 253 HA LYS 43 HA LYS 43 -2.553 1.482 10.223 254 HB2 LYS 43 HB2 LYS 43 -4.673 2.581 8.932 255 HB3 LYS 43 HB1 LYS 43 -5.495 1.707 10.217 256 HG2 LYS 43 HG2 LYS 43 -5.165 3.658 11.304 257 HG3 LYS 43 HG1 LYS 43 -3.617 2.898 11.680 258 HD2 LYS 43 HD2 LYS 43 -3.837 4.471 9.166 259 HD3 LYS 43 HD1 LYS 43 -3.761 5.350 10.694 260 HE2 LYS 43 HE2 LYS 43 -1.764 3.325 9.688 261 HE3 LYS 43 HE1 LYS 43 -1.536 5.072 9.757 262 HZ1 LYS 43 HZ1 LYS 43 -2.206 4.460 12.299 263 HZ2 LYS 43 HZ2 LYS 43 -0.624 4.654 11.736 264 HZ3 LYS 43 HZ3 LYS 43 -1.297 3.107 11.846 265 H THR 44 HN THR 44 -4.483 -1.154 9.183 266 HA THR 44 HA THR 44 -5.305 -3.011 10.209 267 HB THR 44 HB THR 44 -3.899 -4.041 11.843 268 HG1 THR 44 HG1 THR 44 -2.303 -2.821 12.942 269 HG21 THR 44 HG21 THR 44 -1.529 -3.319 11.001 270 HG22 THR 44 HG22 THR 44 -2.466 -2.456 9.782 271 HG23 THR 44 HG23 THR 44 -2.637 -4.203 9.952 272 H GLU 45 HN GLU 45 -7.214 -1.600 10.672 273 HA GLU 45 HA GLU 45 -7.789 -1.711 13.533 274 HB2 GLU 45 HB2 GLU 45 -7.072 0.673 12.515 275 HB3 GLU 45 HB1 GLU 45 -8.790 0.707 12.139 276 HG2 GLU 45 HG2 GLU 45 -8.444 -0.179 14.826 277 HG3 GLU 45 HG1 GLU 45 -7.522 1.303 14.580 278 H GLN 46 HN GLN 46 -9.981 -1.956 14.035 279 HA GLN 46 HA GLN 46 -11.522 -3.429 12.246 280 HB2 GLN 46 HB2 GLN 46 -11.869 -2.280 14.911 281 HB3 GLN 46 HB1 GLN 46 -13.373 -2.371 14.005 282 HG2 GLN 46 HG2 GLN 46 -13.459 -4.609 14.114 283 HG3 GLN 46 HG1 GLN 46 -11.717 -4.793 13.913 284 HE21 GLN 46 HE21 GLN 46 -10.804 -5.724 15.584 285 HE22 GLN 46 HE22 GLN 46 -11.258 -5.533 17.239 286 HA PRO 47 HA PRO 47 -12.760 0.027 9.592 287 HB2 PRO 47 HB2 PRO 47 -14.339 -2.151 8.341 288 HB3 PRO 47 HB1 PRO 47 -13.216 -1.008 7.599 289 HG2 PRO 47 HG2 PRO 47 -12.535 -3.561 7.949 290 HG3 PRO 47 HG1 PRO 47 -11.353 -2.259 8.177 291 HD2 PRO 47 HD2 PRO 47 -12.841 -3.851 10.227 292 HD3 PRO 47 HD1 PRO 47 -11.157 -3.289 10.240 293 H ASP 48 HN ASP 48 -14.215 1.355 10.479 294 HA ASP 48 HA ASP 48 -17.000 0.633 10.478 295 HB2 ASP 48 HB2 ASP 48 -15.919 -0.169 12.716 296 HB3 ASP 48 HB1 ASP 48 -15.948 1.540 13.138 297 H PHE 49 HN PHE 49 -15.632 2.537 9.029 298 HA PHE 49 HA PHE 49 -15.723 4.721 8.405 299 HB2 PHE 49 HB2 PHE 49 -18.033 4.675 10.350 300 HB3 PHE 49 HB1 PHE 49 -17.630 6.080 9.368 301 HD1 PHE 49 HD1 PHE 49 -17.603 5.784 6.837 302 HD2 PHE 49 HD2 PHE 49 -19.375 2.980 9.502 303 HE1 PHE 49 HE1 PHE 49 -18.938 4.873 4.982 304 HE2 PHE 49 HE2 PHE 49 -20.714 2.062 7.653 305 HZ PHE 49 HZ PHE 49 -20.497 3.009 5.388 306 HA PRO 50 HA PRO 50 -13.148 5.995 12.009 307 HB2 PRO 50 HB2 PRO 50 -11.137 7.020 10.493 308 HB3 PRO 50 HB1 PRO 50 -11.246 5.309 10.922 309 HG2 PRO 50 HG2 PRO 50 -12.043 6.679 8.383 310 HG3 PRO 50 HG1 PRO 50 -11.185 5.143 8.603 311 HD2 PRO 50 HD2 PRO 50 -13.825 5.257 8.036 312 HD3 PRO 50 HD1 PRO 50 -13.127 3.978 9.050 313 H TRP 51 HN TRP 51 -13.657 7.849 12.968 314 HA TRP 51 HA TRP 51 -13.645 10.326 11.416 315 HB2 TRP 51 HB2 TRP 51 -16.023 9.045 12.507 316 HB3 TRP 51 HB1 TRP 51 -15.809 10.678 13.130 317 HD1 TRP 51 HD1 TRP 51 -16.337 8.794 9.820 318 HE1 TRP 51 HE1 TRP 51 -17.241 10.457 8.077 319 HE3 TRP 51 HE3 TRP 51 -15.926 13.112 12.526 320 HZ2 TRP 51 HZ2 TRP 51 -17.718 13.232 7.875 321 HZ3 TRP 51 HZ3 TRP 51 -16.627 15.228 11.485 322 HH2 TRP 51 HH2 TRP 51 -17.504 15.285 9.207 323 H ILE 52 HN ILE 52 -12.977 12.103 12.547 324 HA ILE 52 HA ILE 52 -11.700 11.608 15.083 325 HB ILE 52 HB ILE 52 -11.928 14.256 13.660 326 HG12 ILE 52 HG12 ILE 52 -11.028 12.537 12.131 327 HG13 ILE 52 HG11 ILE 52 -9.812 13.733 12.562 328 HG21 ILE 52 HG21 ILE 52 -10.391 15.050 15.105 329 HG22 ILE 52 HG22 ILE 52 -9.531 13.513 15.202 330 HG23 ILE 52 HG23 ILE 52 -11.005 13.760 16.138 331 HD11 ILE 52 HD11 ILE 52 -8.562 12.240 13.733 332 HD12 ILE 52 HD12 ILE 52 -9.293 11.151 12.553 333 HD13 ILE 52 HD13 ILE 52 -9.956 11.256 14.184 334 H TRP 53 HN TRP 53 -13.745 11.140 16.215 335 HA TRP 53 HA TRP 53 -15.481 13.401 16.760 336 HB2 TRP 53 HB2 TRP 53 -16.668 11.732 18.243 337 HB3 TRP 53 HB1 TRP 53 -16.606 11.310 16.534 338 HD1 TRP 53 HD1 TRP 53 -14.132 10.625 19.461 339 HE1 TRP 53 HE1 TRP 53 -13.549 8.118 19.423 340 HE3 TRP 53 HE3 TRP 53 -17.048 9.174 15.521 341 HZ2 TRP 53 HZ2 TRP 53 -14.236 5.828 17.921 342 HZ3 TRP 53 HZ3 TRP 53 -17.027 6.806 14.846 343 HH2 TRP 53 HH2 TRP 53 -15.649 5.170 16.023 344 H VAL 54 HN VAL 54 -15.993 14.018 18.995 345 HA VAL 54 HA VAL 54 -13.983 13.453 21.011 346 HB VAL 54 HB VAL 54 -14.457 16.312 20.168 347 HG11 VAL 54 HG11 VAL 54 -13.007 14.985 22.366 348 HG12 VAL 54 HG12 VAL 54 -13.756 16.579 22.299 349 HG13 VAL 54 HG13 VAL 54 -12.167 16.321 21.579 350 HG21 VAL 54 HG21 VAL 54 -13.242 15.252 18.395 351 HG22 VAL 54 HG22 VAL 54 -12.151 14.474 19.542 352 HG23 VAL 54 HG23 VAL 54 -12.109 16.225 19.334 Start of MODEL 6 1 H1 SER 5 HT1 SER 5 -16.709 -1.670 3.664 2 H2 SER 5 HT2 SER 5 -16.329 -0.576 4.930 3 H3 SER 5 HT3 SER 5 -16.311 -2.267 5.220 4 HA SER 5 HA SER 5 -14.571 -0.967 3.248 5 HB2 SER 5 HB2 SER 5 -13.607 -1.758 5.967 6 HB3 SER 5 HB1 SER 5 -12.981 -0.527 4.870 7 HG SER 5 HG SER 5 -14.205 0.879 5.824 8 H GLN 6 HN GLN 6 -14.088 -2.580 1.901 9 HA GLN 6 HA GLN 6 -13.945 -5.321 2.888 10 HB2 GLN 6 HB2 GLN 6 -13.631 -5.849 0.429 11 HB3 GLN 6 HB1 GLN 6 -15.174 -5.129 0.869 12 HG2 GLN 6 HG2 GLN 6 -14.827 -3.334 -0.400 13 HG3 GLN 6 HG1 GLN 6 -13.158 -3.159 0.142 14 HE21 GLN 6 HE21 GLN 6 -14.747 -5.854 -1.503 15 HE22 GLN 6 HE22 GLN 6 -13.726 -5.835 -2.898 16 H GLY 7 HN GLY 7 -12.120 -6.669 2.539 17 HA2 GLY 7 HA2 GLY 7 -9.595 -5.168 2.192 18 HA3 GLY 7 HA1 GLY 7 -9.786 -6.453 3.375 19 H GLU 8 HN GLU 8 -10.389 -6.017 -0.116 20 HA GLU 8 HA GLU 8 -9.069 -8.616 -0.550 21 HB2 GLU 8 HB2 GLU 8 -11.114 -7.337 -2.365 22 HB3 GLU 8 HB1 GLU 8 -10.483 -8.976 -2.453 23 HG2 GLU 8 HG2 GLU 8 -11.502 -9.033 0.019 24 HG3 GLU 8 HG1 GLU 8 -12.568 -7.833 -0.709 25 H CYS 9 HN CYS 9 -7.608 -6.226 -0.354 26 HA CYS 9 HA CYS 9 -6.345 -6.221 -2.963 27 HB2 CYS 9 HB2 CYS 9 -7.741 -3.847 -1.803 28 HB3 CYS 9 HB1 CYS 9 -6.266 -3.595 -2.729 29 HA PRO 10 HA PRO 10 -3.182 -6.305 0.323 30 HB2 PRO 10 HB2 PRO 10 -1.176 -7.113 -1.364 31 HB3 PRO 10 HB1 PRO 10 -2.300 -8.217 -0.564 32 HG2 PRO 10 HG2 PRO 10 -2.361 -7.142 -3.354 33 HG3 PRO 10 HG1 PRO 10 -2.701 -8.784 -2.778 34 HD2 PRO 10 HD2 PRO 10 -4.669 -7.066 -3.410 35 HD3 PRO 10 HD1 PRO 10 -4.838 -8.233 -2.082 36 H GLU 11 HN GLU 11 -0.607 -5.640 -0.199 37 HA GLU 11 HA GLU 11 -0.723 -2.827 -0.421 38 HB2 GLU 11 HB2 GLU 11 1.724 -2.916 -0.209 39 HB3 GLU 11 HB1 GLU 11 0.931 -3.926 0.990 40 HG2 GLU 11 HG2 GLU 11 1.352 -5.885 -0.504 41 HG3 GLU 11 HG1 GLU 11 2.324 -4.820 -1.518 42 H GLY 12 HN GLY 12 1.164 -1.806 -1.857 43 HA2 GLY 12 HA2 GLY 12 1.931 -1.280 -3.964 44 HA3 GLY 12 HA1 GLY 12 1.538 -2.920 -4.453 45 H ARG 13 HN ARG 13 -1.172 -1.499 -3.107 46 HA ARG 13 HA ARG 13 -2.113 -0.121 -5.448 47 HB2 ARG 13 HB2 ARG 13 -3.716 -1.662 -6.115 48 HB3 ARG 13 HB1 ARG 13 -2.314 -2.660 -5.735 49 HG2 ARG 13 HG2 ARG 13 -3.206 -3.143 -3.566 50 HG3 ARG 13 HG1 ARG 13 -4.603 -2.123 -3.886 51 HD2 ARG 13 HD2 ARG 13 -3.854 -4.710 -5.241 52 HD3 ARG 13 HD1 ARG 13 -5.281 -4.385 -4.257 53 HE ARG 13 HE ARG 13 -5.555 -2.623 -6.269 54 HH11 ARG 13 HH11 ARG 13 -4.908 -6.054 -6.233 55 HH12 ARG 13 HH12 ARG 13 -5.679 -6.341 -7.756 56 HH21 ARG 13 HH21 ARG 13 -6.571 -3.000 -8.271 57 HH22 ARG 13 HH22 ARG 13 -6.623 -4.608 -8.914 58 H ALA 14 HN ALA 14 -4.756 -0.085 -5.053 59 HA ALA 14 HA ALA 14 -5.457 0.255 -2.311 60 HB1 ALA 14 HB1 ALA 14 -4.528 2.316 -2.176 61 HB2 ALA 14 HB2 ALA 14 -6.076 2.777 -2.884 62 HB3 ALA 14 HB3 ALA 14 -4.653 2.607 -3.911 63 H TYR 15 HN TYR 15 -7.691 1.036 -2.028 64 HA TYR 15 HA TYR 15 -9.346 0.534 -4.414 65 HB2 TYR 15 HB2 TYR 15 -9.544 -1.356 -2.893 66 HB3 TYR 15 HB1 TYR 15 -9.895 -0.275 -1.550 67 HD1 TYR 15 HD2 TYR 15 -12.063 0.950 -1.485 68 HD2 TYR 15 HD1 TYR 15 -11.252 -2.029 -4.415 69 HE1 TYR 15 HE2 TYR 15 -14.466 0.780 -1.971 70 HE2 TYR 15 HE1 TYR 15 -13.654 -2.205 -4.909 71 HH TYR 15 HH TYR 15 -16.047 -0.788 -2.923 72 H SER 16 HN SER 16 -10.493 2.262 -4.999 73 HA SER 16 HA SER 16 -10.934 4.381 -3.033 74 HB2 SER 16 HB2 SER 16 -10.424 5.720 -4.759 75 HB3 SER 16 HB1 SER 16 -10.374 4.335 -5.850 76 HG SER 16 HG SER 16 -12.179 6.278 -5.739 77 H GLN 17 HN GLN 17 -12.684 4.021 -1.860 78 HA GLN 17 HA GLN 17 -14.954 2.602 -2.635 79 HB2 GLN 17 HB2 GLN 17 -16.032 3.632 -0.669 80 HB3 GLN 17 HB1 GLN 17 -14.428 3.012 -0.307 81 HG2 GLN 17 HG2 GLN 17 -13.855 4.981 0.496 82 HG3 GLN 17 HG1 GLN 17 -14.111 5.698 -1.094 83 HE21 GLN 17 HE21 GLN 17 -14.693 7.600 0.158 84 HE22 GLN 17 HE22 GLN 17 -16.307 7.755 0.752 85 H ASP 18 HN ASP 18 -14.017 5.864 -3.250 86 HA ASP 18 HA ASP 18 -16.554 6.977 -3.773 87 HB2 ASP 18 HB2 ASP 18 -13.882 7.732 -4.976 88 HB3 ASP 18 HB1 ASP 18 -15.333 8.730 -4.976 89 H LEU 19 HN LEU 19 -14.078 5.767 -6.035 90 HA LEU 19 HA LEU 19 -15.863 5.824 -8.255 91 HB2 LEU 19 HB2 LEU 19 -13.053 5.033 -7.779 92 HB3 LEU 19 HB1 LEU 19 -13.856 4.261 -9.133 93 HG LEU 19 HG LEU 19 -12.618 6.218 -9.872 94 HD11 LEU 19 HD11 LEU 19 -15.486 7.041 -10.012 95 HD12 LEU 19 HD12 LEU 19 -14.952 5.547 -10.781 96 HD13 LEU 19 HD13 LEU 19 -14.242 7.088 -11.262 97 HD21 LEU 19 HD21 LEU 19 -12.642 7.506 -7.819 98 HD22 LEU 19 HD22 LEU 19 -14.384 7.746 -7.964 99 HD23 LEU 19 HD23 LEU 19 -13.292 8.467 -9.147 100 H GLY 20 HN GLY 20 -14.969 3.506 -5.859 101 HA2 GLY 20 HA2 GLY 20 -16.037 1.521 -5.316 102 HA3 GLY 20 HA1 GLY 20 -17.055 1.720 -6.735 103 H LYS 21 HN LYS 21 -13.514 1.519 -6.435 104 HA LYS 21 HA LYS 21 -13.396 -1.141 -7.472 105 HB2 LYS 21 HB2 LYS 21 -12.237 -0.541 -9.597 106 HB3 LYS 21 HB1 LYS 21 -13.936 -0.091 -9.566 107 HG2 LYS 21 HG2 LYS 21 -13.449 2.036 -9.945 108 HG3 LYS 21 HG1 LYS 21 -12.312 2.074 -8.597 109 HD2 LYS 21 HD2 LYS 21 -10.505 1.627 -9.929 110 HD3 LYS 21 HD1 LYS 21 -11.460 0.722 -11.105 111 HE2 LYS 21 HE2 LYS 21 -12.409 3.381 -11.140 112 HE3 LYS 21 HE1 LYS 21 -10.649 3.465 -11.162 113 HZ1 LYS 21 HZ1 LYS 21 -11.858 1.513 -12.944 114 HZ2 LYS 21 HZ2 LYS 21 -10.542 2.545 -13.200 115 HZ3 LYS 21 HZ3 LYS 21 -12.121 3.136 -13.343 116 H CYS 22 HN CYS 22 -11.093 -1.780 -7.952 117 HA CYS 22 HA CYS 22 -9.324 -0.353 -6.091 118 HB2 CYS 22 HB2 CYS 22 -10.001 -2.969 -6.033 119 HB3 CYS 22 HB1 CYS 22 -8.554 -3.044 -7.032 120 H MET 23 HN MET 23 -7.374 0.375 -6.695 121 HA MET 23 HA MET 23 -6.442 -0.187 -9.411 122 HB2 MET 23 HB2 MET 23 -7.047 1.912 -9.965 123 HB3 MET 23 HB1 MET 23 -7.337 2.355 -8.292 124 HG2 MET 23 HG2 MET 23 -5.682 3.799 -8.739 125 HG3 MET 23 HG1 MET 23 -4.691 2.427 -8.260 126 HE1 MET 23 HE1 MET 23 -6.030 4.685 -10.911 127 HE2 MET 23 HE2 MET 23 -6.573 3.282 -11.831 128 HE3 MET 23 HE3 MET 23 -5.211 4.241 -12.409 129 H GLU 24 HN GLU 24 -4.059 0.388 -9.628 130 HA GLU 24 HA GLU 24 -2.662 -0.791 -7.456 131 HB2 GLU 24 HB2 GLU 24 -0.652 -0.449 -8.786 132 HB3 GLU 24 HB1 GLU 24 -1.942 -1.128 -9.776 133 HG2 GLU 24 HG2 GLU 24 -2.403 1.347 -10.375 134 HG3 GLU 24 HG1 GLU 24 -0.766 1.604 -9.779 135 H CYS 25 HN CYS 25 -0.764 0.064 -6.485 136 HA CYS 25 HA CYS 25 -1.225 2.727 -5.428 137 HB2 CYS 25 HB2 CYS 25 -0.623 0.823 -3.939 138 HB3 CYS 25 HB1 CYS 25 0.942 0.730 -4.735 139 H SER 26 HN SER 26 0.948 1.087 -7.591 140 HA SER 26 HA SER 26 3.063 2.894 -7.683 141 HB2 SER 26 HB2 SER 26 2.963 2.139 -10.262 142 HB3 SER 26 HB1 SER 26 3.550 1.070 -8.988 143 HG SER 26 HG SER 26 1.808 0.331 -10.553 144 H VAL 27 HN VAL 27 -0.209 3.166 -8.733 145 HA VAL 27 HA VAL 27 0.206 5.314 -10.574 146 HB VAL 27 HB VAL 27 -2.179 3.993 -9.373 147 HG11 VAL 27 HG11 VAL 27 -2.966 6.164 -9.053 148 HG12 VAL 27 HG12 VAL 27 -3.584 5.735 -10.649 149 HG13 VAL 27 HG13 VAL 27 -2.165 6.771 -10.503 150 HG21 VAL 27 HG21 VAL 27 -2.032 2.995 -11.353 151 HG22 VAL 27 HG22 VAL 27 -0.850 4.164 -11.935 152 HG23 VAL 27 HG23 VAL 27 -2.574 4.508 -12.073 153 H CYS 28 HN CYS 28 -0.091 5.048 -7.164 154 HA CYS 28 HA CYS 28 -1.135 7.522 -6.448 155 HB2 CYS 28 HB2 CYS 28 -0.437 5.480 -4.987 156 HB3 CYS 28 HB1 CYS 28 1.124 6.287 -4.902 157 H LYS 29 HN LYS 29 0.078 9.361 -5.463 158 HA LYS 29 HA LYS 29 1.501 11.122 -5.665 159 HB2 LYS 29 HB2 LYS 29 3.425 8.943 -6.486 160 HB3 LYS 29 HB1 LYS 29 3.893 10.606 -6.163 161 HG2 LYS 29 HG2 LYS 29 2.351 9.378 -4.008 162 HG3 LYS 29 HG1 LYS 29 3.887 8.575 -4.341 163 HD2 LYS 29 HD2 LYS 29 4.732 10.149 -2.969 164 HD3 LYS 29 HD1 LYS 29 4.643 11.179 -4.398 165 HE2 LYS 29 HE2 LYS 29 2.148 11.494 -3.475 166 HE3 LYS 29 HE1 LYS 29 2.977 11.165 -1.954 167 HZ1 LYS 29 HZ1 LYS 29 4.626 12.946 -3.048 168 HZ2 LYS 29 HZ2 LYS 29 3.349 13.366 -2.021 169 HZ3 LYS 29 HZ3 LYS 29 3.155 13.476 -3.697 170 H ASN 30 HN ASN 30 0.249 12.007 -7.370 171 HA ASN 30 HA ASN 30 1.644 11.954 -9.954 172 HB2 ASN 30 HB2 ASN 30 -0.865 10.805 -9.519 173 HB3 ASN 30 HB1 ASN 30 -1.213 12.353 -10.281 174 HD21 ASN 30 HD21 ASN 30 -1.847 10.086 -11.589 175 HD22 ASN 30 HD22 ASN 30 -0.789 9.845 -12.933 176 H SER 31 HN SER 31 -0.942 13.610 -8.142 177 HA SER 31 HA SER 31 0.315 16.122 -8.182 178 HB2 SER 31 HB2 SER 31 -1.525 15.516 -10.457 179 HB3 SER 31 HB1 SER 31 -1.564 17.133 -9.755 180 HG SER 31 HG SER 31 0.297 17.546 -10.641 181 H GLU 32 HN GLU 32 -2.869 14.556 -8.352 182 HA GLU 32 HA GLU 32 -3.965 16.446 -6.436 183 HB2 GLU 32 HB2 GLU 32 -6.084 15.312 -6.816 184 HB3 GLU 32 HB1 GLU 32 -5.330 15.718 -8.351 185 HG2 GLU 32 HG2 GLU 32 -4.485 13.381 -8.477 186 HG3 GLU 32 HG1 GLU 32 -5.433 13.017 -7.035 187 H LYS 33 HN LYS 33 -5.604 15.125 -4.850 188 HA LYS 33 HA LYS 33 -3.829 13.362 -3.302 189 HB2 LYS 33 HB2 LYS 33 -5.835 15.423 -2.556 190 HB3 LYS 33 HB1 LYS 33 -5.700 14.022 -1.502 191 HG2 LYS 33 HG2 LYS 33 -3.118 15.169 -2.210 192 HG3 LYS 33 HG1 LYS 33 -4.177 16.299 -1.365 193 HD2 LYS 33 HD2 LYS 33 -3.412 15.322 0.503 194 HD3 LYS 33 HD1 LYS 33 -4.511 14.006 0.088 195 HE2 LYS 33 HE2 LYS 33 -2.708 12.866 -1.098 196 HE3 LYS 33 HE1 LYS 33 -1.609 14.189 -0.714 197 HZ1 LYS 33 HZ1 LYS 33 -2.780 12.180 1.103 198 HZ2 LYS 33 HZ2 LYS 33 -2.200 13.653 1.700 199 HZ3 LYS 33 HZ3 LYS 33 -1.154 12.599 0.891 200 H SER 34 HN SER 34 -4.363 11.402 -4.253 201 HA SER 34 HA SER 34 -6.948 10.502 -4.830 202 HB2 SER 34 HB2 SER 34 -4.934 8.504 -3.946 203 HB3 SER 34 HB1 SER 34 -5.959 8.511 -5.379 204 HG SER 34 HG SER 34 -4.576 10.136 -6.240 205 H ASP 35 HN ASP 35 -8.526 9.571 -3.654 206 HA ASP 35 HA ASP 35 -8.338 9.718 -0.785 207 HB2 ASP 35 HB2 ASP 35 -10.395 10.091 -2.483 208 HB3 ASP 35 HB1 ASP 35 -10.686 8.410 -2.041 209 H PHE 36 HN PHE 36 -7.750 7.312 -3.126 210 HA PHE 36 HA PHE 36 -8.191 5.154 -1.204 211 HB2 PHE 36 HB2 PHE 36 -8.403 3.707 -2.966 212 HB3 PHE 36 HB1 PHE 36 -8.945 5.190 -3.731 213 HD1 PHE 36 HD1 PHE 36 -6.151 6.418 -4.092 214 HD2 PHE 36 HD2 PHE 36 -7.737 2.552 -4.883 215 HE1 PHE 36 HE1 PHE 36 -4.446 6.076 -5.833 216 HE2 PHE 36 HE2 PHE 36 -6.035 2.201 -6.619 217 HZ PHE 36 HZ PHE 36 -4.385 3.960 -7.096 218 H CYS 37 HN CYS 37 -5.658 7.094 -2.293 219 HA CYS 37 HA CYS 37 -3.558 5.230 -2.241 220 HB2 CYS 37 HB2 CYS 37 -3.756 8.190 -1.940 221 HB3 CYS 37 HB1 CYS 37 -2.256 7.412 -1.448 222 H GLN 38 HN GLN 38 -5.673 5.852 0.164 223 HA GLN 38 HA GLN 38 -3.739 5.691 2.332 224 HB2 GLN 38 HB2 GLN 38 -6.557 5.421 3.051 225 HB3 GLN 38 HB1 GLN 38 -5.356 6.551 3.655 226 HG2 GLN 38 HG2 GLN 38 -6.886 6.838 1.084 227 HG3 GLN 38 HG1 GLN 38 -7.265 7.662 2.596 228 HE21 GLN 38 HE21 GLN 38 -5.623 7.860 -0.297 229 HE22 GLN 38 HE22 GLN 38 -4.596 9.200 0.068 230 H ASN 39 HN ASN 39 -5.473 3.689 0.274 231 HA ASN 39 HA ASN 39 -5.852 1.507 2.124 232 HB2 ASN 39 HB2 ASN 39 -7.273 1.954 0.062 233 HB3 ASN 39 HB1 ASN 39 -5.914 1.357 -0.883 234 HD21 ASN 39 HD21 ASN 39 -8.657 0.540 0.907 235 HD22 ASN 39 HD22 ASN 39 -8.464 -1.176 0.883 236 H CYS 40 HN CYS 40 -3.626 2.392 -0.406 237 HA CYS 40 HA CYS 40 -2.059 0.205 -0.753 238 HB2 CYS 40 HB2 CYS 40 -1.726 2.303 -1.950 239 HB3 CYS 40 HB1 CYS 40 -1.145 3.076 -0.486 240 HA PRO 41 HA PRO 41 0.658 1.239 3.132 241 HB2 PRO 41 HB2 PRO 41 -0.535 2.837 5.017 242 HB3 PRO 41 HB1 PRO 41 0.587 3.428 3.787 243 HG2 PRO 41 HG2 PRO 41 -2.401 3.509 3.823 244 HG3 PRO 41 HG1 PRO 41 -1.251 4.745 3.284 245 HD2 PRO 41 HD2 PRO 41 -2.580 3.169 1.550 246 HD3 PRO 41 HD1 PRO 41 -0.930 3.737 1.238 247 H SER 42 HN SER 42 -2.347 1.921 4.851 248 HA SER 42 HA SER 42 -3.461 0.713 6.433 249 HB2 SER 42 HB2 SER 42 -3.225 -1.472 4.353 250 HB3 SER 42 HB1 SER 42 -4.456 -1.342 5.609 251 HG SER 42 HG SER 42 -4.068 0.678 3.670 252 H LYS 43 HN LYS 43 -3.524 -1.845 7.272 253 HA LYS 43 HA LYS 43 -1.022 -2.081 8.674 254 HB2 LYS 43 HB2 LYS 43 -3.643 -2.738 9.252 255 HB3 LYS 43 HB1 LYS 43 -2.898 -4.306 8.974 256 HG2 LYS 43 HG2 LYS 43 -1.073 -2.993 10.579 257 HG3 LYS 43 HG1 LYS 43 -2.640 -2.495 11.222 258 HD2 LYS 43 HD2 LYS 43 -2.549 -4.426 12.366 259 HD3 LYS 43 HD1 LYS 43 -3.026 -5.167 10.837 260 HE2 LYS 43 HE2 LYS 43 -0.607 -5.427 10.292 261 HE3 LYS 43 HE1 LYS 43 -0.228 -4.848 11.914 262 HZ1 LYS 43 HZ1 LYS 43 -0.256 -7.055 12.328 263 HZ2 LYS 43 HZ2 LYS 43 -1.321 -7.412 11.065 264 HZ3 LYS 43 HZ3 LYS 43 -1.915 -6.781 12.517 265 H THR 44 HN THR 44 0.534 -3.623 8.441 266 HA THR 44 HA THR 44 0.946 -4.794 5.945 267 HB THR 44 HB THR 44 2.759 -4.346 7.529 268 HG1 THR 44 HG1 THR 44 3.798 -5.853 6.542 269 HG21 THR 44 HG21 THR 44 2.450 -4.890 9.661 270 HG22 THR 44 HG22 THR 44 2.931 -6.516 9.177 271 HG23 THR 44 HG23 THR 44 1.221 -6.095 9.271 272 H GLU 45 HN GLU 45 0.568 -6.784 5.087 273 HA GLU 45 HA GLU 45 -1.328 -8.470 6.547 274 HB2 GLU 45 HB2 GLU 45 -1.362 -7.563 3.966 275 HB3 GLU 45 HB1 GLU 45 -0.694 -9.177 3.763 276 HG2 GLU 45 HG2 GLU 45 -3.092 -8.917 5.476 277 HG3 GLU 45 HG1 GLU 45 -3.305 -8.678 3.742 278 H GLN 46 HN GLN 46 1.182 -8.682 7.556 279 HA GLN 46 HA GLN 46 2.235 -11.194 6.451 280 HB2 GLN 46 HB2 GLN 46 4.324 -10.638 7.623 281 HB3 GLN 46 HB1 GLN 46 3.854 -9.381 6.486 282 HG2 GLN 46 HG2 GLN 46 3.907 -7.864 8.083 283 HG3 GLN 46 HG1 GLN 46 2.731 -8.772 9.028 284 HE21 GLN 46 HE21 GLN 46 4.582 -7.320 10.333 285 HE22 GLN 46 HE22 GLN 46 5.751 -8.349 11.081 286 HA PRO 47 HA PRO 47 0.012 -12.686 10.185 287 HB2 PRO 47 HB2 PRO 47 0.806 -15.242 8.892 288 HB3 PRO 47 HB1 PRO 47 -0.765 -14.743 9.531 289 HG2 PRO 47 HG2 PRO 47 -0.328 -14.835 6.904 290 HG3 PRO 47 HG1 PRO 47 -1.307 -13.543 7.624 291 HD2 PRO 47 HD2 PRO 47 1.511 -13.461 6.634 292 HD3 PRO 47 HD1 PRO 47 0.239 -12.229 6.524 293 H ASP 48 HN ASP 48 1.823 -11.897 11.456 294 HA ASP 48 HA ASP 48 3.604 -12.134 12.853 295 HB2 ASP 48 HB2 ASP 48 2.033 -14.062 13.534 296 HB3 ASP 48 HB1 ASP 48 3.176 -15.110 12.699 297 H PHE 49 HN PHE 49 4.268 -11.957 10.138 298 HA PHE 49 HA PHE 49 6.051 -12.177 8.742 299 HB2 PHE 49 HB2 PHE 49 7.182 -11.921 11.112 300 HB3 PHE 49 HB1 PHE 49 7.629 -13.604 10.844 301 HD1 PHE 49 HD2 PHE 49 8.751 -14.112 8.542 302 HD2 PHE 49 HD1 PHE 49 8.558 -10.254 10.326 303 HE1 PHE 49 HE2 PHE 49 10.664 -13.389 7.173 304 HE2 PHE 49 HE1 PHE 49 10.469 -9.522 8.960 305 HZ PHE 49 HZ PHE 49 11.525 -11.091 7.382 306 HA PRO 50 HA PRO 50 4.962 -16.495 7.693 307 HB2 PRO 50 HB2 PRO 50 5.012 -16.096 5.003 308 HB3 PRO 50 HB1 PRO 50 3.607 -15.719 6.009 309 HG2 PRO 50 HG2 PRO 50 5.733 -13.890 4.961 310 HG3 PRO 50 HG1 PRO 50 3.979 -13.641 5.033 311 HD2 PRO 50 HD2 PRO 50 5.672 -12.550 6.836 312 HD3 PRO 50 HD1 PRO 50 4.026 -13.061 7.266 313 H TRP 51 HN TRP 51 6.457 -18.038 7.610 314 HA TRP 51 HA TRP 51 8.806 -17.708 5.915 315 HB2 TRP 51 HB2 TRP 51 9.013 -17.129 8.590 316 HB3 TRP 51 HB1 TRP 51 9.479 -18.825 8.550 317 HD1 TRP 51 HD1 TRP 51 10.699 -17.890 5.378 318 HE1 TRP 51 HE1 TRP 51 13.135 -17.066 5.429 319 HE3 TRP 51 HE3 TRP 51 11.136 -16.957 10.387 320 HZ2 TRP 51 HZ2 TRP 51 14.997 -16.143 7.339 321 HZ3 TRP 51 HZ3 TRP 51 13.279 -16.106 11.244 322 HH2 TRP 51 HH2 TRP 51 15.169 -15.708 9.750 323 H ILE 52 HN ILE 52 9.933 -19.709 5.502 324 HA ILE 52 HA ILE 52 8.177 -22.047 5.842 325 HB ILE 52 HB ILE 52 10.369 -21.768 3.793 326 HG12 ILE 52 HG12 ILE 52 8.712 -19.977 3.458 327 HG13 ILE 52 HG11 ILE 52 8.636 -21.173 2.168 328 HG21 ILE 52 HG21 ILE 52 8.552 -23.450 2.741 329 HG22 ILE 52 HG22 ILE 52 8.325 -23.783 4.458 330 HG23 ILE 52 HG23 ILE 52 9.917 -23.976 3.725 331 HD11 ILE 52 HD11 ILE 52 6.820 -21.521 4.483 332 HD12 ILE 52 HD12 ILE 52 6.574 -21.899 2.777 333 HD13 ILE 52 HD13 ILE 52 6.470 -20.230 3.335 334 H TRP 53 HN TRP 53 8.828 -23.521 7.250 335 HA TRP 53 HA TRP 53 11.582 -24.371 7.356 336 HB2 TRP 53 HB2 TRP 53 11.445 -22.373 8.901 337 HB3 TRP 53 HB1 TRP 53 10.334 -23.310 9.895 338 HD1 TRP 53 HD1 TRP 53 11.412 -25.677 10.923 339 HE1 TRP 53 HE1 TRP 53 13.800 -26.106 11.780 340 HE3 TRP 53 HE3 TRP 53 13.804 -21.769 8.654 341 HZ2 TRP 53 HZ2 TRP 53 16.359 -24.940 11.530 342 HZ3 TRP 53 HZ3 TRP 53 16.223 -21.496 9.016 343 HH2 TRP 53 HH2 TRP 53 17.472 -23.050 10.424 344 H VAL 54 HN VAL 54 10.661 -26.341 6.684 345 HA VAL 54 HA VAL 54 9.337 -27.818 8.857 346 HB VAL 54 HB VAL 54 8.648 -28.168 5.939 347 HG11 VAL 54 HG11 VAL 54 8.382 -30.129 7.465 348 HG12 VAL 54 HG12 VAL 54 6.884 -29.584 6.710 349 HG13 VAL 54 HG13 VAL 54 7.221 -29.178 8.393 350 HG21 VAL 54 HG21 VAL 54 7.964 -25.945 6.974 351 HG22 VAL 54 HG22 VAL 54 6.888 -26.884 8.008 352 HG23 VAL 54 HG23 VAL 54 6.681 -26.919 6.257 Start of MODEL 7 1 H1 SER 5 HT1 SER 5 -15.150 -13.523 -8.633 2 H2 SER 5 HT2 SER 5 -13.562 -13.709 -8.010 3 H3 SER 5 HT3 SER 5 -14.217 -14.897 -9.061 4 HA SER 5 HA SER 5 -12.758 -13.660 -10.331 5 HB2 SER 5 HB2 SER 5 -14.410 -12.458 -11.870 6 HB3 SER 5 HB1 SER 5 -14.755 -14.152 -11.526 7 HG SER 5 HG SER 5 -16.543 -12.557 -11.336 8 H GLN 6 HN GLN 6 -14.987 -11.525 -8.584 9 HA GLN 6 HA GLN 6 -13.834 -9.084 -9.328 10 HB2 GLN 6 HB2 GLN 6 -15.891 -9.957 -7.598 11 HB3 GLN 6 HB1 GLN 6 -14.819 -8.957 -6.628 12 HG2 GLN 6 HG2 GLN 6 -16.190 -7.341 -7.412 13 HG3 GLN 6 HG1 GLN 6 -15.019 -7.358 -8.729 14 HE21 GLN 6 HE21 GLN 6 -15.673 -9.439 -10.228 15 HE22 GLN 6 HE22 GLN 6 -17.285 -9.304 -10.838 16 H GLY 7 HN GLY 7 -11.654 -8.895 -9.196 17 HA2 GLY 7 HA2 GLY 7 -10.293 -8.005 -7.088 18 HA3 GLY 7 HA1 GLY 7 -10.263 -9.734 -6.778 19 H GLU 8 HN GLU 8 -9.517 -7.353 -9.309 20 HA GLU 8 HA GLU 8 -7.350 -9.122 -10.217 21 HB2 GLU 8 HB2 GLU 8 -7.471 -7.993 -12.362 22 HB3 GLU 8 HB1 GLU 8 -9.063 -8.589 -11.915 23 HG2 GLU 8 HG2 GLU 8 -9.948 -6.536 -11.813 24 HG3 GLU 8 HG1 GLU 8 -8.507 -5.839 -11.072 25 H CYS 9 HN CYS 9 -7.070 -7.496 -7.928 26 HA CYS 9 HA CYS 9 -4.962 -5.672 -8.861 27 HB2 CYS 9 HB2 CYS 9 -6.954 -5.130 -6.649 28 HB3 CYS 9 HB1 CYS 9 -5.558 -4.121 -7.013 29 HA PRO 10 HA PRO 10 -2.896 -8.562 -6.015 30 HB2 PRO 10 HB2 PRO 10 -0.370 -7.878 -6.775 31 HB3 PRO 10 HB1 PRO 10 -1.374 -9.030 -7.663 32 HG2 PRO 10 HG2 PRO 10 -0.879 -6.130 -8.216 33 HG3 PRO 10 HG1 PRO 10 -0.931 -7.493 -9.350 34 HD2 PRO 10 HD2 PRO 10 -3.009 -5.803 -9.041 35 HD3 PRO 10 HD1 PRO 10 -3.241 -7.526 -9.399 36 H GLU 11 HN GLU 11 -0.775 -8.114 -4.612 37 HA GLU 11 HA GLU 11 -1.450 -6.250 -2.674 38 HB2 GLU 11 HB2 GLU 11 1.096 -7.703 -3.321 39 HB3 GLU 11 HB1 GLU 11 1.052 -6.521 -2.020 40 HG2 GLU 11 HG2 GLU 11 -1.146 -8.084 -1.505 41 HG3 GLU 11 HG1 GLU 11 0.035 -9.242 -2.113 42 H GLY 12 HN GLY 12 0.454 -4.634 -1.940 43 HA2 GLY 12 HA2 GLY 12 1.243 -2.497 -2.276 44 HA3 GLY 12 HA1 GLY 12 1.907 -3.151 -3.767 45 H ARG 13 HN ARG 13 -1.493 -2.844 -2.892 46 HA ARG 13 HA ARG 13 -1.810 -0.820 -5.004 47 HB2 ARG 13 HB2 ARG 13 -3.319 -2.060 -6.129 48 HB3 ARG 13 HB1 ARG 13 -2.607 -3.412 -5.268 49 HG2 ARG 13 HG2 ARG 13 -4.525 -2.398 -3.516 50 HG3 ARG 13 HG1 ARG 13 -5.276 -2.326 -5.111 51 HD2 ARG 13 HD2 ARG 13 -4.643 -4.711 -5.446 52 HD3 ARG 13 HD1 ARG 13 -4.052 -4.742 -3.786 53 HE ARG 13 HE ARG 13 -6.764 -4.925 -4.637 54 HH11 ARG 13 HH11 ARG 13 -4.717 -3.761 -2.063 55 HH12 ARG 13 HH12 ARG 13 -5.957 -3.870 -0.858 56 HH21 ARG 13 HH21 ARG 13 -8.397 -5.068 -3.054 57 HH22 ARG 13 HH22 ARG 13 -8.044 -4.612 -1.421 58 H ALA 14 HN ALA 14 -4.436 -0.277 -4.829 59 HA ALA 14 HA ALA 14 -5.144 0.145 -2.061 60 HB1 ALA 14 HB1 ALA 14 -4.375 2.245 -2.084 61 HB2 ALA 14 HB2 ALA 14 -5.809 2.596 -3.045 62 HB3 ALA 14 HB3 ALA 14 -4.264 2.289 -3.843 63 H TYR 15 HN TYR 15 -7.350 1.675 -2.307 64 HA TYR 15 HA TYR 15 -9.010 0.757 -4.482 65 HB2 TYR 15 HB2 TYR 15 -9.172 -1.173 -3.022 66 HB3 TYR 15 HB1 TYR 15 -9.516 -0.143 -1.637 67 HD1 TYR 15 HD2 TYR 15 -10.874 -1.004 -5.006 68 HD2 TYR 15 HD1 TYR 15 -11.719 0.213 -1.019 69 HE1 TYR 15 HE2 TYR 15 -13.282 -1.205 -5.463 70 HE2 TYR 15 HE1 TYR 15 -14.130 0.015 -1.463 71 HH TYR 15 HH TYR 15 -15.644 0.090 -3.475 72 H SER 16 HN SER 16 -10.297 2.409 -5.009 73 HA SER 16 HA SER 16 -10.702 4.503 -3.011 74 HB2 SER 16 HB2 SER 16 -11.732 5.329 -5.522 75 HB3 SER 16 HB1 SER 16 -10.272 5.894 -4.706 76 HG SER 16 HG SER 16 -10.532 3.785 -6.578 77 H GLN 17 HN GLN 17 -12.438 3.952 -1.798 78 HA GLN 17 HA GLN 17 -14.700 2.573 -2.646 79 HB2 GLN 17 HB2 GLN 17 -14.348 4.551 -0.393 80 HB3 GLN 17 HB1 GLN 17 -15.808 3.599 -0.625 81 HG2 GLN 17 HG2 GLN 17 -14.639 1.564 -0.247 82 HG3 GLN 17 HG1 GLN 17 -13.080 2.387 -0.283 83 HE21 GLN 17 HE21 GLN 17 -12.213 2.782 1.615 84 HE22 GLN 17 HE22 GLN 17 -13.061 2.961 3.108 85 H ASP 18 HN ASP 18 -13.826 5.877 -3.070 86 HA ASP 18 HA ASP 18 -16.374 7.000 -3.471 87 HB2 ASP 18 HB2 ASP 18 -13.587 7.778 -3.971 88 HB3 ASP 18 HB1 ASP 18 -14.731 8.464 -5.121 89 H LEU 19 HN LEU 19 -13.967 5.926 -5.870 90 HA LEU 19 HA LEU 19 -15.859 6.048 -8.007 91 HB2 LEU 19 HB2 LEU 19 -13.097 4.843 -7.909 92 HB3 LEU 19 HB1 LEU 19 -14.042 5.086 -9.367 93 HG LEU 19 HG LEU 19 -13.269 7.383 -7.585 94 HD11 LEU 19 HD11 LEU 19 -11.731 6.849 -10.055 95 HD12 LEU 19 HD12 LEU 19 -11.362 5.856 -8.645 96 HD13 LEU 19 HD13 LEU 19 -11.229 7.611 -8.546 97 HD21 LEU 19 HD21 LEU 19 -14.925 8.093 -9.040 98 HD22 LEU 19 HD22 LEU 19 -14.358 7.059 -10.352 99 HD23 LEU 19 HD23 LEU 19 -13.447 8.504 -9.912 100 H GLY 20 HN GLY 20 -14.817 3.674 -5.746 101 HA2 GLY 20 HA2 GLY 20 -15.684 1.584 -5.299 102 HA3 GLY 20 HA1 GLY 20 -16.845 1.843 -6.591 103 H LYS 21 HN LYS 21 -13.284 1.624 -6.496 104 HA LYS 21 HA LYS 21 -13.281 -0.867 -7.917 105 HB2 LYS 21 HB2 LYS 21 -11.958 0.137 -9.869 106 HB3 LYS 21 HB1 LYS 21 -13.701 0.366 -9.869 107 HG2 LYS 21 HG2 LYS 21 -13.544 2.614 -9.418 108 HG3 LYS 21 HG1 LYS 21 -11.955 2.460 -8.665 109 HD2 LYS 21 HD2 LYS 21 -10.894 2.780 -10.608 110 HD3 LYS 21 HD1 LYS 21 -11.951 1.655 -11.461 111 HE2 LYS 21 HE2 LYS 21 -13.609 3.355 -11.779 112 HE3 LYS 21 HE1 LYS 21 -12.728 4.476 -10.741 113 HZ1 LYS 21 HZ1 LYS 21 -11.745 3.416 -13.336 114 HZ2 LYS 21 HZ2 LYS 21 -10.944 4.534 -12.352 115 HZ3 LYS 21 HZ3 LYS 21 -12.403 4.956 -13.097 116 H CYS 22 HN CYS 22 -11.201 -1.805 -8.067 117 HA CYS 22 HA CYS 22 -9.295 -0.616 -6.202 118 HB2 CYS 22 HB2 CYS 22 -8.292 -2.792 -6.032 119 HB3 CYS 22 HB1 CYS 22 -10.034 -2.988 -5.902 120 H MET 23 HN MET 23 -7.270 -0.010 -6.728 121 HA MET 23 HA MET 23 -6.278 -0.515 -9.429 122 HB2 MET 23 HB2 MET 23 -5.473 2.046 -9.191 123 HB3 MET 23 HB1 MET 23 -6.956 1.578 -10.003 124 HG2 MET 23 HG2 MET 23 -7.295 1.965 -7.147 125 HG3 MET 23 HG1 MET 23 -6.707 3.401 -7.979 126 HE1 MET 23 HE1 MET 23 -9.317 4.755 -9.993 127 HE2 MET 23 HE2 MET 23 -7.731 4.810 -9.222 128 HE3 MET 23 HE3 MET 23 -9.183 5.137 -8.276 129 H GLU 24 HN GLU 24 -3.967 1.075 -9.249 130 HA GLU 24 HA GLU 24 -2.600 -0.283 -7.025 131 HB2 GLU 24 HB2 GLU 24 -0.877 -0.784 -8.379 132 HB3 GLU 24 HB1 GLU 24 -2.041 -0.531 -9.663 133 HG2 GLU 24 HG2 GLU 24 -1.241 1.834 -9.760 134 HG3 GLU 24 HG1 GLU 24 0.050 1.353 -8.660 135 H CYS 25 HN CYS 25 -1.701 0.888 -5.485 136 HA CYS 25 HA CYS 25 -1.929 3.678 -5.376 137 HB2 CYS 25 HB2 CYS 25 -0.161 3.450 -3.504 138 HB3 CYS 25 HB1 CYS 25 -1.709 2.648 -3.279 139 H SER 26 HN SER 26 0.441 1.583 -6.739 140 HA SER 26 HA SER 26 2.618 3.335 -6.917 141 HB2 SER 26 HB2 SER 26 2.224 0.762 -7.658 142 HB3 SER 26 HB1 SER 26 2.111 1.549 -9.232 143 HG SER 26 HG SER 26 4.185 1.835 -9.193 144 H VAL 27 HN VAL 27 -0.451 3.227 -8.533 145 HA VAL 27 HA VAL 27 0.271 4.734 -10.830 146 HB VAL 27 HB VAL 27 -2.324 4.062 -9.523 147 HG11 VAL 27 HG11 VAL 27 -1.913 6.316 -11.448 148 HG12 VAL 27 HG12 VAL 27 -2.898 6.265 -9.986 149 HG13 VAL 27 HG13 VAL 27 -3.421 5.401 -11.433 150 HG21 VAL 27 HG21 VAL 27 -2.031 3.862 -12.422 151 HG22 VAL 27 HG22 VAL 27 -2.555 2.655 -11.248 152 HG23 VAL 27 HG23 VAL 27 -0.835 2.935 -11.518 153 H CYS 28 HN CYS 28 -0.323 5.596 -7.550 154 HA CYS 28 HA CYS 28 -1.088 8.275 -7.842 155 HB2 CYS 28 HB2 CYS 28 0.337 6.780 -5.654 156 HB3 CYS 28 HB1 CYS 28 0.051 8.511 -5.531 157 H LYS 29 HN LYS 29 0.232 10.202 -7.382 158 HA LYS 29 HA LYS 29 3.043 10.196 -7.562 159 HB2 LYS 29 HB2 LYS 29 2.008 9.587 -9.982 160 HB3 LYS 29 HB1 LYS 29 2.018 11.341 -10.090 161 HG2 LYS 29 HG2 LYS 29 4.155 11.261 -10.642 162 HG3 LYS 29 HG1 LYS 29 4.518 10.606 -9.044 163 HD2 LYS 29 HD2 LYS 29 4.800 8.512 -9.829 164 HD3 LYS 29 HD1 LYS 29 3.464 8.654 -10.973 165 HE2 LYS 29 HE2 LYS 29 4.977 8.827 -12.593 166 HE3 LYS 29 HE1 LYS 29 5.419 10.399 -11.926 167 HZ1 LYS 29 HZ1 LYS 29 6.611 8.080 -10.640 168 HZ2 LYS 29 HZ2 LYS 29 7.293 9.582 -11.013 169 HZ3 LYS 29 HZ3 LYS 29 7.138 8.402 -12.214 170 H ASN 30 HN ASN 30 3.572 11.974 -6.497 171 HA ASN 30 HA ASN 30 3.535 14.077 -5.633 172 HB2 ASN 30 HB2 ASN 30 2.649 14.427 -8.449 173 HB3 ASN 30 HB1 ASN 30 2.421 15.794 -7.362 174 HD21 ASN 30 HD21 ASN 30 3.945 16.891 -8.721 175 HD22 ASN 30 HD22 ASN 30 5.639 16.642 -8.493 176 H SER 31 HN SER 31 1.892 16.121 -5.455 177 HA SER 31 HA SER 31 -0.213 15.204 -3.831 178 HB2 SER 31 HB2 SER 31 0.708 17.840 -4.844 179 HB3 SER 31 HB1 SER 31 -0.961 17.747 -4.283 180 HG SER 31 HG SER 31 -0.008 16.732 -2.340 181 H GLU 32 HN GLU 32 -1.804 14.008 -4.691 182 HA GLU 32 HA GLU 32 -3.336 15.193 -6.906 183 HB2 GLU 32 HB2 GLU 32 -2.013 13.314 -7.761 184 HB3 GLU 32 HB1 GLU 32 -2.701 12.261 -6.532 185 HG2 GLU 32 HG2 GLU 32 -4.023 11.708 -8.289 186 HG3 GLU 32 HG1 GLU 32 -4.968 13.039 -7.625 187 H LYS 33 HN LYS 33 -5.555 14.996 -6.796 188 HA LYS 33 HA LYS 33 -6.654 14.625 -4.183 189 HB2 LYS 33 HB2 LYS 33 -7.846 15.251 -6.877 190 HB3 LYS 33 HB1 LYS 33 -8.857 14.974 -5.465 191 HG2 LYS 33 HG2 LYS 33 -8.123 16.893 -4.399 192 HG3 LYS 33 HG1 LYS 33 -6.653 16.989 -5.371 193 HD2 LYS 33 HD2 LYS 33 -9.415 17.345 -6.519 194 HD3 LYS 33 HD1 LYS 33 -8.442 18.686 -5.914 195 HE2 LYS 33 HE2 LYS 33 -7.002 18.609 -7.663 196 HE3 LYS 33 HE1 LYS 33 -7.126 16.858 -7.828 197 HZ1 LYS 33 HZ1 LYS 33 -8.697 18.952 -9.080 198 HZ2 LYS 33 HZ2 LYS 33 -9.576 17.606 -8.557 199 HZ3 LYS 33 HZ3 LYS 33 -8.298 17.409 -9.648 200 H SER 34 HN SER 34 -5.711 12.313 -4.242 201 HA SER 34 HA SER 34 -7.754 10.471 -5.298 202 HB2 SER 34 HB2 SER 34 -4.806 10.339 -5.227 203 HB3 SER 34 HB1 SER 34 -5.632 8.848 -4.772 204 HG SER 34 HG SER 34 -5.409 8.784 -6.961 205 H ASP 35 HN ASP 35 -8.966 9.459 -3.845 206 HA ASP 35 HA ASP 35 -8.097 9.470 -1.044 207 HB2 ASP 35 HB2 ASP 35 -10.516 10.161 -2.204 208 HB3 ASP 35 HB1 ASP 35 -10.824 8.558 -1.544 209 H PHE 36 HN PHE 36 -7.446 7.501 -3.349 210 HA PHE 36 HA PHE 36 -8.325 5.046 -2.012 211 HB2 PHE 36 HB2 PHE 36 -8.571 4.105 -4.051 212 HB3 PHE 36 HB1 PHE 36 -8.475 5.744 -4.671 213 HD1 PHE 36 HD2 PHE 36 -6.046 6.615 -5.113 214 HD2 PHE 36 HD1 PHE 36 -7.169 2.524 -4.878 215 HE1 PHE 36 HE2 PHE 36 -4.044 6.002 -6.404 216 HE2 PHE 36 HE1 PHE 36 -5.163 1.895 -6.167 217 HZ PHE 36 HZ PHE 36 -3.604 3.638 -6.928 218 H CYS 37 HN CYS 37 -5.522 6.848 -2.921 219 HA CYS 37 HA CYS 37 -3.645 4.800 -2.510 220 HB2 CYS 37 HB2 CYS 37 -3.576 7.586 -3.043 221 HB3 CYS 37 HB1 CYS 37 -2.578 7.313 -1.621 222 H GLN 38 HN GLN 38 -5.881 5.824 -0.402 223 HA GLN 38 HA GLN 38 -4.206 5.804 1.970 224 HB2 GLN 38 HB2 GLN 38 -6.548 5.847 3.069 225 HB3 GLN 38 HB1 GLN 38 -5.969 7.284 2.246 226 HG2 GLN 38 HG2 GLN 38 -7.542 7.162 0.647 227 HG3 GLN 38 HG1 GLN 38 -7.513 5.400 0.603 228 HE21 GLN 38 HE21 GLN 38 -8.595 8.141 2.550 229 HE22 GLN 38 HE22 GLN 38 -9.990 7.358 3.201 230 H ASN 39 HN ASN 39 -5.906 3.642 0.003 231 HA ASN 39 HA ASN 39 -6.416 1.671 2.038 232 HB2 ASN 39 HB2 ASN 39 -7.519 2.072 -0.376 233 HB3 ASN 39 HB1 ASN 39 -6.340 0.836 -0.799 234 HD21 ASN 39 HD21 ASN 39 -6.655 -1.236 -0.156 235 HD22 ASN 39 HD22 ASN 39 -8.069 -1.780 0.676 236 H CYS 40 HN CYS 40 -3.998 2.249 -0.385 237 HA CYS 40 HA CYS 40 -2.584 -0.171 -0.166 238 HB2 CYS 40 HB2 CYS 40 -2.356 1.445 -2.029 239 HB3 CYS 40 HB1 CYS 40 -1.539 2.558 -0.940 240 HA PRO 41 HA PRO 41 -1.063 0.641 4.022 241 HB2 PRO 41 HB2 PRO 41 0.315 -1.933 3.542 242 HB3 PRO 41 HB1 PRO 41 -0.766 -1.464 4.858 243 HG2 PRO 41 HG2 PRO 41 -1.572 -3.147 2.946 244 HG3 PRO 41 HG1 PRO 41 -2.675 -1.944 3.640 245 HD2 PRO 41 HD2 PRO 41 -1.211 -1.892 1.027 246 HD3 PRO 41 HD1 PRO 41 -2.876 -1.393 1.396 247 H SER 42 HN SER 42 1.089 0.773 5.008 248 HA SER 42 HA SER 42 3.077 1.610 3.029 249 HB2 SER 42 HB2 SER 42 2.306 3.110 4.963 250 HB3 SER 42 HB1 SER 42 3.249 2.047 6.008 251 HG SER 42 HG SER 42 5.025 2.521 4.460 252 H LYS 43 HN LYS 43 2.893 -0.283 6.040 253 HA LYS 43 HA LYS 43 4.156 -1.993 6.848 254 HB2 LYS 43 HB2 LYS 43 4.932 -2.559 3.992 255 HB3 LYS 43 HB1 LYS 43 4.802 -3.699 5.325 256 HG2 LYS 43 HG2 LYS 43 2.446 -3.612 5.301 257 HG3 LYS 43 HG1 LYS 43 2.436 -2.192 4.253 258 HD2 LYS 43 HD2 LYS 43 2.082 -3.701 2.618 259 HD3 LYS 43 HD1 LYS 43 3.828 -3.942 2.723 260 HE2 LYS 43 HE2 LYS 43 3.191 -5.672 4.569 261 HE3 LYS 43 HE1 LYS 43 1.608 -5.633 3.794 262 HZ1 LYS 43 HZ1 LYS 43 2.393 -6.628 1.927 263 HZ2 LYS 43 HZ2 LYS 43 3.479 -7.298 3.037 264 HZ3 LYS 43 HZ3 LYS 43 3.951 -5.985 2.082 265 H THR 44 HN THR 44 5.394 0.627 6.518 266 HA THR 44 HA THR 44 8.165 -0.235 6.756 267 HB THR 44 HB THR 44 8.580 2.068 5.388 268 HG1 THR 44 HG1 THR 44 6.384 0.821 4.104 269 HG21 THR 44 HG21 THR 44 9.707 -0.025 4.894 270 HG22 THR 44 HG22 THR 44 9.104 0.737 3.422 271 HG23 THR 44 HG23 THR 44 8.246 -0.638 4.118 272 H GLU 45 HN GLU 45 7.488 0.195 8.998 273 HA GLU 45 HA GLU 45 6.992 2.928 9.767 274 HB2 GLU 45 HB2 GLU 45 6.021 0.988 10.988 275 HB3 GLU 45 HB1 GLU 45 7.640 0.543 11.509 276 HG2 GLU 45 HG2 GLU 45 6.857 1.688 13.335 277 HG3 GLU 45 HG1 GLU 45 7.713 2.957 12.460 278 H GLN 46 HN GLN 46 8.911 3.867 8.825 279 HA GLN 46 HA GLN 46 11.408 3.276 10.246 280 HB2 GLN 46 HB2 GLN 46 12.485 4.595 8.444 281 HB3 GLN 46 HB1 GLN 46 11.592 3.207 7.840 282 HG2 GLN 46 HG2 GLN 46 10.328 4.491 6.557 283 HG3 GLN 46 HG1 GLN 46 9.900 5.527 7.917 284 HE21 GLN 46 HE21 GLN 46 10.093 7.500 7.051 285 HE22 GLN 46 HE22 GLN 46 11.540 8.136 6.354 286 HA PRO 47 HA PRO 47 10.164 7.117 12.406 287 HB2 PRO 47 HB2 PRO 47 11.548 6.602 14.672 288 HB3 PRO 47 HB1 PRO 47 9.960 5.895 14.349 289 HG2 PRO 47 HG2 PRO 47 12.678 4.685 13.998 290 HG3 PRO 47 HG1 PRO 47 11.216 3.963 14.696 291 HD2 PRO 47 HD2 PRO 47 12.017 3.468 12.156 292 HD3 PRO 47 HD1 PRO 47 10.307 3.498 12.631 293 H ASP 48 HN ASP 48 11.562 8.794 13.525 294 HA ASP 48 HA ASP 48 14.347 8.864 13.218 295 HB2 ASP 48 HB2 ASP 48 13.621 8.913 10.784 296 HB3 ASP 48 HB1 ASP 48 12.939 10.504 11.110 297 H PHE 49 HN PHE 49 12.420 9.568 15.152 298 HA PHE 49 HA PHE 49 11.764 11.239 16.566 299 HB2 PHE 49 HB2 PHE 49 14.502 12.234 15.757 300 HB3 PHE 49 HB1 PHE 49 13.586 12.845 17.130 301 HD1 PHE 49 HD2 PHE 49 12.934 11.173 18.950 302 HD2 PHE 49 HD1 PHE 49 15.891 10.388 15.991 303 HE1 PHE 49 HE2 PHE 49 13.882 9.404 20.372 304 HE2 PHE 49 HE1 PHE 49 16.844 8.616 17.408 305 HZ PHE 49 HZ PHE 49 15.840 8.123 19.602 306 HA PRO 50 HA PRO 50 10.809 14.242 13.039 307 HB2 PRO 50 HB2 PRO 50 8.293 13.478 12.457 308 HB3 PRO 50 HB1 PRO 50 9.701 12.711 11.711 309 HG2 PRO 50 HG2 PRO 50 8.021 11.767 14.002 310 HG3 PRO 50 HG1 PRO 50 8.660 10.845 12.629 311 HD2 PRO 50 HD2 PRO 50 9.812 10.846 15.101 312 HD3 PRO 50 HD1 PRO 50 10.725 10.593 13.600 313 H TRP 51 HN TRP 51 9.823 16.163 13.441 314 HA TRP 51 HA TRP 51 7.688 16.342 15.401 315 HB2 TRP 51 HB2 TRP 51 10.465 17.251 15.898 316 HB3 TRP 51 HB1 TRP 51 9.186 18.369 16.362 317 HD1 TRP 51 HD1 TRP 51 7.060 16.645 17.682 318 HE1 TRP 51 HE1 TRP 51 7.523 15.263 19.802 319 HE3 TRP 51 HE3 TRP 51 12.150 16.302 17.335 320 HZ2 TRP 51 HZ2 TRP 51 9.750 14.171 21.150 321 HZ3 TRP 51 HZ3 TRP 51 13.371 15.072 19.081 322 HH2 TRP 51 HH2 TRP 51 12.195 14.030 20.949 323 H ILE 52 HN ILE 52 6.263 17.870 14.876 324 HA ILE 52 HA ILE 52 5.195 19.264 13.403 325 HB ILE 52 HB ILE 52 6.106 20.639 15.290 326 HG12 ILE 52 HG12 ILE 52 5.550 22.779 14.214 327 HG13 ILE 52 HG11 ILE 52 5.727 22.027 12.631 328 HG21 ILE 52 HG21 ILE 52 8.505 20.469 14.342 329 HG22 ILE 52 HG22 ILE 52 7.984 21.972 15.102 330 HG23 ILE 52 HG23 ILE 52 8.029 21.844 13.344 331 HD11 ILE 52 HD11 ILE 52 3.425 22.188 14.221 332 HD12 ILE 52 HD12 ILE 52 3.913 20.492 14.213 333 HD13 ILE 52 HD13 ILE 52 3.631 21.338 12.690 334 H TRP 53 HN TRP 53 5.316 18.548 11.337 335 HA TRP 53 HA TRP 53 6.879 20.080 9.509 336 HB2 TRP 53 HB2 TRP 53 8.057 17.683 10.481 337 HB3 TRP 53 HB1 TRP 53 7.581 17.393 8.811 338 HD1 TRP 53 HD1 TRP 53 8.760 20.858 9.931 339 HE1 TRP 53 HE1 TRP 53 10.996 21.381 8.768 340 HE3 TRP 53 HE3 TRP 53 9.642 16.304 7.780 341 HZ2 TRP 53 HZ2 TRP 53 12.883 20.041 7.152 342 HZ3 TRP 53 HZ3 TRP 53 11.684 16.008 6.441 343 HH2 TRP 53 HH2 TRP 53 13.270 17.839 6.134 344 H VAL 54 HN VAL 54 5.956 20.116 7.521 345 HA VAL 54 HA VAL 54 3.362 19.043 7.200 346 HB VAL 54 HB VAL 54 5.142 20.093 5.000 347 HG11 VAL 54 HG11 VAL 54 2.240 20.587 5.011 348 HG12 VAL 54 HG12 VAL 54 2.731 18.912 4.761 349 HG13 VAL 54 HG13 VAL 54 3.318 20.174 3.678 350 HG21 VAL 54 HG21 VAL 54 3.514 21.538 7.065 351 HG22 VAL 54 HG22 VAL 54 3.882 22.265 5.502 352 HG23 VAL 54 HG23 VAL 54 5.191 21.807 6.591 Start of MODEL 8 1 H1 SER 5 HT1 SER 5 -12.697 -8.408 0.741 2 H2 SER 5 HT2 SER 5 -11.216 -8.652 -0.093 3 H3 SER 5 HT3 SER 5 -12.533 -9.724 -0.346 4 HA SER 5 HA SER 5 -13.814 -7.837 -1.201 5 HB2 SER 5 HB2 SER 5 -12.496 -6.073 -0.131 6 HB3 SER 5 HB1 SER 5 -11.078 -6.540 -1.068 7 HG SER 5 HG SER 5 -12.008 -4.843 -2.129 8 H GLN 6 HN GLN 6 -13.794 -7.445 -3.508 9 HA GLN 6 HA GLN 6 -12.223 -9.470 -4.915 10 HB2 GLN 6 HB2 GLN 6 -14.777 -8.020 -5.484 11 HB3 GLN 6 HB1 GLN 6 -13.860 -8.692 -6.825 12 HG2 GLN 6 HG2 GLN 6 -14.183 -10.872 -6.126 13 HG3 GLN 6 HG1 GLN 6 -14.533 -10.394 -4.466 14 HE21 GLN 6 HE21 GLN 6 -16.048 -12.103 -6.283 15 HE22 GLN 6 HE22 GLN 6 -17.617 -11.391 -6.412 16 H GLY 7 HN GLY 7 -10.619 -8.986 -6.283 17 HA2 GLY 7 HA2 GLY 7 -10.403 -6.847 -7.999 18 HA3 GLY 7 HA1 GLY 7 -9.699 -6.285 -6.491 19 H GLU 8 HN GLU 8 -8.666 -8.918 -5.765 20 HA GLU 8 HA GLU 8 -6.642 -9.952 -5.871 21 HB2 GLU 8 HB2 GLU 8 -8.154 -10.498 -8.186 22 HB3 GLU 8 HB1 GLU 8 -6.488 -10.311 -8.717 23 HG2 GLU 8 HG2 GLU 8 -7.198 -12.060 -6.394 24 HG3 GLU 8 HG1 GLU 8 -7.304 -12.644 -8.054 25 H CYS 9 HN CYS 9 -6.474 -7.144 -5.928 26 HA CYS 9 HA CYS 9 -4.562 -6.359 -7.932 27 HB2 CYS 9 HB2 CYS 9 -5.485 -4.931 -5.429 28 HB3 CYS 9 HB1 CYS 9 -4.502 -4.217 -6.702 29 HA PRO 10 HA PRO 10 -0.996 -7.915 -5.749 30 HB2 PRO 10 HB2 PRO 10 0.900 -6.491 -7.114 31 HB3 PRO 10 HB1 PRO 10 0.127 -7.949 -7.745 32 HG2 PRO 10 HG2 PRO 10 -0.495 -5.076 -8.310 33 HG3 PRO 10 HG1 PRO 10 -0.407 -6.445 -9.434 34 HD2 PRO 10 HD2 PRO 10 -2.758 -5.489 -8.539 35 HD3 PRO 10 HD1 PRO 10 -2.509 -7.219 -8.855 36 H GLU 11 HN GLU 11 1.308 -6.496 -5.246 37 HA GLU 11 HA GLU 11 0.601 -4.979 -2.984 38 HB2 GLU 11 HB2 GLU 11 3.024 -4.425 -2.880 39 HB3 GLU 11 HB1 GLU 11 2.710 -6.147 -3.043 40 HG2 GLU 11 HG2 GLU 11 3.252 -6.061 -5.395 41 HG3 GLU 11 HG1 GLU 11 3.468 -4.312 -5.305 42 H GLY 12 HN GLY 12 1.719 -2.730 -2.691 43 HA2 GLY 12 HA2 GLY 12 1.461 -0.479 -3.133 44 HA3 GLY 12 HA1 GLY 12 2.075 -0.901 -4.726 45 H ARG 13 HN ARG 13 -0.929 -1.925 -3.207 46 HA ARG 13 HA ARG 13 -2.415 -0.748 -5.454 47 HB2 ARG 13 HB2 ARG 13 -3.949 -2.476 -5.275 48 HB3 ARG 13 HB1 ARG 13 -2.430 -3.273 -4.886 49 HG2 ARG 13 HG2 ARG 13 -3.331 -2.327 -2.449 50 HG3 ARG 13 HG1 ARG 13 -4.793 -2.892 -3.260 51 HD2 ARG 13 HD2 ARG 13 -3.654 -5.053 -3.706 52 HD3 ARG 13 HD1 ARG 13 -2.270 -4.476 -2.780 53 HE ARG 13 HE ARG 13 -4.771 -4.396 -1.350 54 HH11 ARG 13 HH11 ARG 13 -1.981 -6.331 -2.166 55 HH12 ARG 13 HH12 ARG 13 -2.138 -7.363 -0.785 56 HH21 ARG 13 HH21 ARG 13 -4.978 -5.755 0.466 57 HH22 ARG 13 HH22 ARG 13 -3.839 -7.038 0.708 58 H ALA 14 HN ALA 14 -4.843 -0.491 -4.765 59 HA ALA 14 HA ALA 14 -5.456 0.302 -2.142 60 HB1 ALA 14 HB1 ALA 14 -5.919 2.789 -2.965 61 HB2 ALA 14 HB2 ALA 14 -4.507 2.434 -3.965 62 HB3 ALA 14 HB3 ALA 14 -4.398 2.308 -2.207 63 H TYR 15 HN TYR 15 -7.662 1.007 -1.911 64 HA TYR 15 HA TYR 15 -9.293 0.548 -4.324 65 HB2 TYR 15 HB2 TYR 15 -9.466 -1.399 -2.869 66 HB3 TYR 15 HB1 TYR 15 -9.870 -0.372 -1.498 67 HD1 TYR 15 HD2 TYR 15 -11.086 -1.434 -4.849 68 HD2 TYR 15 HD1 TYR 15 -12.100 0.172 -1.043 69 HE1 TYR 15 HE2 TYR 15 -13.474 -1.643 -5.403 70 HE2 TYR 15 HE1 TYR 15 -14.490 -0.031 -1.585 71 HH TYR 15 HH TYR 15 -15.616 -1.794 -4.292 72 H SER 16 HN SER 16 -10.505 2.249 -4.844 73 HA SER 16 HA SER 16 -10.975 4.313 -2.821 74 HB2 SER 16 HB2 SER 16 -11.941 5.106 -5.394 75 HB3 SER 16 HB1 SER 16 -10.570 5.752 -4.490 76 HG SER 16 HG SER 16 -9.564 4.969 -6.200 77 H GLN 17 HN GLN 17 -12.801 4.089 -1.712 78 HA GLN 17 HA GLN 17 -15.029 2.613 -2.598 79 HB2 GLN 17 HB2 GLN 17 -14.309 4.194 -0.248 80 HB3 GLN 17 HB1 GLN 17 -16.021 4.291 -0.639 81 HG2 GLN 17 HG2 GLN 17 -16.329 1.987 -0.375 82 HG3 GLN 17 HG1 GLN 17 -14.597 1.662 -0.442 83 HE21 GLN 17 HE21 GLN 17 -16.563 0.914 1.578 84 HE22 GLN 17 HE22 GLN 17 -15.994 1.575 3.068 85 H ASP 18 HN ASP 18 -14.106 5.929 -2.945 86 HA ASP 18 HA ASP 18 -16.610 7.053 -3.545 87 HB2 ASP 18 HB2 ASP 18 -13.777 7.811 -3.941 88 HB3 ASP 18 HB1 ASP 18 -14.928 8.569 -5.039 89 H LEU 19 HN LEU 19 -14.043 5.918 -5.739 90 HA LEU 19 HA LEU 19 -15.735 6.081 -8.033 91 HB2 LEU 19 HB2 LEU 19 -13.017 4.849 -7.623 92 HB3 LEU 19 HB1 LEU 19 -13.826 4.930 -9.176 93 HG LEU 19 HG LEU 19 -13.907 7.528 -8.556 94 HD11 LEU 19 HD11 LEU 19 -11.588 6.397 -7.019 95 HD12 LEU 19 HD12 LEU 19 -12.850 7.493 -6.458 96 HD13 LEU 19 HD13 LEU 19 -11.622 8.067 -7.586 97 HD21 LEU 19 HD21 LEU 19 -11.280 6.591 -9.556 98 HD22 LEU 19 HD22 LEU 19 -12.383 7.797 -10.219 99 HD23 LEU 19 HD23 LEU 19 -12.718 6.080 -10.441 100 H GLY 20 HN GLY 20 -14.973 3.690 -5.675 101 HA2 GLY 20 HA2 GLY 20 -15.916 1.626 -5.289 102 HA3 GLY 20 HA1 GLY 20 -17.018 1.941 -6.620 103 H LYS 21 HN LYS 21 -13.477 1.546 -6.375 104 HA LYS 21 HA LYS 21 -13.493 -0.941 -7.769 105 HB2 LYS 21 HB2 LYS 21 -12.237 -0.066 -9.783 106 HB3 LYS 21 HB1 LYS 21 -13.953 0.311 -9.730 107 HG2 LYS 21 HG2 LYS 21 -13.553 2.558 -9.172 108 HG3 LYS 21 HG1 LYS 21 -11.867 2.237 -8.759 109 HD2 LYS 21 HD2 LYS 21 -11.860 3.311 -10.875 110 HD3 LYS 21 HD1 LYS 21 -11.514 1.605 -11.172 111 HE2 LYS 21 HE2 LYS 21 -13.497 1.246 -12.224 112 HE3 LYS 21 HE1 LYS 21 -14.355 2.436 -11.247 113 HZ1 LYS 21 HZ1 LYS 21 -12.376 3.208 -13.308 114 HZ2 LYS 21 HZ2 LYS 21 -13.531 4.186 -12.553 115 HZ3 LYS 21 HZ3 LYS 21 -14.018 3.005 -13.661 116 H CYS 22 HN CYS 22 -11.213 -1.602 -8.393 117 HA CYS 22 HA CYS 22 -9.377 -0.601 -6.330 118 HB2 CYS 22 HB2 CYS 22 -9.941 -3.016 -6.260 119 HB3 CYS 22 HB1 CYS 22 -9.264 -3.202 -7.874 120 H MET 23 HN MET 23 -7.181 -0.273 -6.815 121 HA MET 23 HA MET 23 -6.277 -0.261 -9.556 122 HB2 MET 23 HB2 MET 23 -5.622 2.349 -8.685 123 HB3 MET 23 HB1 MET 23 -6.662 1.892 -10.022 124 HG2 MET 23 HG2 MET 23 -7.806 1.910 -7.300 125 HG3 MET 23 HG1 MET 23 -7.442 3.451 -8.064 126 HE1 MET 23 HE1 MET 23 -8.727 4.641 -9.150 127 HE2 MET 23 HE2 MET 23 -10.407 4.316 -8.728 128 HE3 MET 23 HE3 MET 23 -9.890 4.232 -10.411 129 H GLU 24 HN GLU 24 -4.097 1.548 -9.045 130 HA GLU 24 HA GLU 24 -2.624 -0.086 -7.094 131 HB2 GLU 24 HB2 GLU 24 -0.889 -0.292 -8.507 132 HB3 GLU 24 HB1 GLU 24 -2.067 0.108 -9.740 133 HG2 GLU 24 HG2 GLU 24 -1.384 2.481 -9.490 134 HG3 GLU 24 HG1 GLU 24 -0.091 1.930 -8.428 135 H CYS 25 HN CYS 25 -1.783 0.897 -5.379 136 HA CYS 25 HA CYS 25 -2.197 3.591 -4.809 137 HB2 CYS 25 HB2 CYS 25 -1.803 2.211 -2.946 138 HB3 CYS 25 HB1 CYS 25 -0.376 1.485 -3.671 139 H SER 26 HN SER 26 0.326 1.953 -6.523 140 HA SER 26 HA SER 26 2.286 3.965 -6.496 141 HB2 SER 26 HB2 SER 26 1.785 1.494 -7.950 142 HB3 SER 26 HB1 SER 26 2.470 2.734 -9.002 143 HG SER 26 HG SER 26 4.003 1.374 -7.805 144 H VAL 27 HN VAL 27 -0.795 3.729 -8.033 145 HA VAL 27 HA VAL 27 -0.552 5.240 -10.320 146 HB VAL 27 HB VAL 27 -2.759 5.093 -8.291 147 HG11 VAL 27 HG11 VAL 27 -4.065 6.332 -10.243 148 HG12 VAL 27 HG12 VAL 27 -2.485 7.080 -10.479 149 HG13 VAL 27 HG13 VAL 27 -3.299 7.214 -8.921 150 HG21 VAL 27 HG21 VAL 27 -2.065 3.805 -10.801 151 HG22 VAL 27 HG22 VAL 27 -3.719 4.416 -10.790 152 HG23 VAL 27 HG23 VAL 27 -3.185 3.294 -9.539 153 H CYS 28 HN CYS 28 -0.422 6.329 -7.024 154 HA CYS 28 HA CYS 28 0.020 9.063 -7.949 155 HB2 CYS 28 HB2 CYS 28 -0.791 9.866 -5.829 156 HB3 CYS 28 HB1 CYS 28 -1.971 8.743 -6.491 157 H LYS 29 HN LYS 29 1.332 10.329 -6.156 158 HA LYS 29 HA LYS 29 3.509 8.692 -5.104 159 HB2 LYS 29 HB2 LYS 29 3.937 11.034 -6.967 160 HB3 LYS 29 HB1 LYS 29 5.209 10.204 -6.082 161 HG2 LYS 29 HG2 LYS 29 4.776 8.162 -7.298 162 HG3 LYS 29 HG1 LYS 29 3.415 8.918 -8.130 163 HD2 LYS 29 HD2 LYS 29 4.827 10.364 -9.341 164 HD3 LYS 29 HD1 LYS 29 6.204 10.028 -8.291 165 HE2 LYS 29 HE2 LYS 29 6.829 8.591 -9.892 166 HE3 LYS 29 HE1 LYS 29 5.584 7.538 -9.221 167 HZ1 LYS 29 HZ1 LYS 29 5.389 7.780 -11.628 168 HZ2 LYS 29 HZ2 LYS 29 5.180 9.450 -11.458 169 HZ3 LYS 29 HZ3 LYS 29 4.021 8.386 -10.837 170 H ASN 30 HN ASN 30 2.214 11.984 -5.461 171 HA ASN 30 HA ASN 30 3.281 12.651 -2.811 172 HB2 ASN 30 HB2 ASN 30 3.828 14.202 -4.644 173 HB3 ASN 30 HB1 ASN 30 2.111 14.461 -4.937 174 HD21 ASN 30 HD21 ASN 30 4.129 14.343 -2.018 175 HD22 ASN 30 HD22 ASN 30 3.625 15.878 -1.404 176 H SER 31 HN SER 31 0.344 13.602 -4.595 177 HA SER 31 HA SER 31 -1.288 12.707 -2.339 178 HB2 SER 31 HB2 SER 31 -0.898 15.027 -1.806 179 HB3 SER 31 HB1 SER 31 -1.298 15.521 -3.450 180 HG SER 31 HG SER 31 -2.988 14.650 -1.388 181 H GLU 32 HN GLU 32 -1.585 14.484 -5.425 182 HA GLU 32 HA GLU 32 -2.932 14.174 -7.232 183 HB2 GLU 32 HB2 GLU 32 -1.813 11.820 -6.909 184 HB3 GLU 32 HB1 GLU 32 -3.431 11.335 -6.421 185 HG2 GLU 32 HG2 GLU 32 -4.190 11.345 -8.515 186 HG3 GLU 32 HG1 GLU 32 -3.383 12.864 -8.901 187 H LYS 33 HN LYS 33 -5.213 13.266 -7.873 188 HA LYS 33 HA LYS 33 -7.030 14.121 -5.751 189 HB2 LYS 33 HB2 LYS 33 -7.776 13.542 -8.612 190 HB3 LYS 33 HB1 LYS 33 -8.632 14.542 -7.446 191 HG2 LYS 33 HG2 LYS 33 -7.096 16.289 -7.635 192 HG3 LYS 33 HG1 LYS 33 -5.877 15.254 -8.384 193 HD2 LYS 33 HD2 LYS 33 -7.760 14.983 -10.223 194 HD3 LYS 33 HD1 LYS 33 -8.278 16.541 -9.579 195 HE2 LYS 33 HE2 LYS 33 -6.498 17.631 -10.429 196 HE3 LYS 33 HE1 LYS 33 -5.394 16.294 -10.103 197 HZ1 LYS 33 HZ1 LYS 33 -7.358 15.833 -12.193 198 HZ2 LYS 33 HZ2 LYS 33 -5.721 15.416 -12.133 199 HZ3 LYS 33 HZ3 LYS 33 -6.176 16.992 -12.544 200 H SER 34 HN SER 34 -5.882 11.582 -5.426 201 HA SER 34 HA SER 34 -8.178 9.799 -5.909 202 HB2 SER 34 HB2 SER 34 -6.675 7.940 -5.989 203 HB3 SER 34 HB1 SER 34 -6.007 9.185 -7.043 204 HG SER 34 HG SER 34 -5.192 8.541 -4.405 205 H ASP 35 HN ASP 35 -9.306 9.314 -4.158 206 HA ASP 35 HA ASP 35 -8.167 9.760 -1.517 207 HB2 ASP 35 HB2 ASP 35 -10.968 8.930 -2.321 208 HB3 ASP 35 HB1 ASP 35 -10.454 9.394 -0.701 209 H PHE 36 HN PHE 36 -7.644 7.388 -3.467 210 HA PHE 36 HA PHE 36 -8.273 5.214 -1.611 211 HB2 PHE 36 HB2 PHE 36 -8.593 3.859 -3.400 212 HB3 PHE 36 HB1 PHE 36 -8.810 5.376 -4.250 213 HD1 PHE 36 HD2 PHE 36 -6.073 6.340 -4.579 214 HD2 PHE 36 HD1 PHE 36 -7.680 2.419 -4.892 215 HE1 PHE 36 HE2 PHE 36 -4.240 5.709 -6.101 216 HE2 PHE 36 HE1 PHE 36 -5.856 1.780 -6.407 217 HZ PHE 36 HZ PHE 36 -4.141 3.420 -7.010 218 H CYS 37 HN CYS 37 -5.673 7.089 -2.755 219 HA CYS 37 HA CYS 37 -3.624 5.179 -2.450 220 HB2 CYS 37 HB2 CYS 37 -3.639 8.190 -2.272 221 HB3 CYS 37 HB1 CYS 37 -2.168 7.254 -2.024 222 H GLN 38 HN GLN 38 -5.804 6.169 -0.223 223 HA GLN 38 HA GLN 38 -4.031 6.301 2.065 224 HB2 GLN 38 HB2 GLN 38 -6.299 6.106 3.283 225 HB3 GLN 38 HB1 GLN 38 -5.950 7.581 2.397 226 HG2 GLN 38 HG2 GLN 38 -7.613 7.247 0.940 227 HG3 GLN 38 HG1 GLN 38 -7.319 5.511 0.844 228 HE21 GLN 38 HE21 GLN 38 -9.699 7.438 1.392 229 HE22 GLN 38 HE22 GLN 38 -10.519 6.661 2.698 230 H ASN 39 HN ASN 39 -5.639 3.980 0.187 231 HA ASN 39 HA ASN 39 -5.970 1.929 2.114 232 HB2 ASN 39 HB2 ASN 39 -6.774 2.280 -0.466 233 HB3 ASN 39 HB1 ASN 39 -5.497 1.082 -0.656 234 HD21 ASN 39 HD21 ASN 39 -5.891 -0.981 -0.132 235 HD22 ASN 39 HD22 ASN 39 -7.364 -1.556 0.565 236 H CYS 40 HN CYS 40 -3.442 2.754 -0.135 237 HA CYS 40 HA CYS 40 -1.648 0.933 -0.418 238 HB2 CYS 40 HB2 CYS 40 -1.435 3.611 -0.288 239 HB3 CYS 40 HB1 CYS 40 -0.465 3.178 1.115 240 HA PRO 41 HA PRO 41 -0.913 -1.301 3.362 241 HB2 PRO 41 HB2 PRO 41 1.464 -2.463 2.663 242 HB3 PRO 41 HB1 PRO 41 -0.112 -3.046 2.115 243 HG2 PRO 41 HG2 PRO 41 1.866 -1.311 0.689 244 HG3 PRO 41 HG1 PRO 41 0.908 -2.666 0.062 245 HD2 PRO 41 HD2 PRO 41 0.213 -0.106 -0.388 246 HD3 PRO 41 HD1 PRO 41 -1.003 -1.379 -0.152 247 H SER 42 HN SER 42 0.150 -0.948 5.250 248 HA SER 42 HA SER 42 2.196 1.157 5.235 249 HB2 SER 42 HB2 SER 42 1.579 0.933 7.843 250 HB3 SER 42 HB1 SER 42 0.663 1.949 6.732 251 HG SER 42 HG SER 42 -0.017 -0.485 7.900 252 H LYS 43 HN LYS 43 3.903 -0.279 4.639 253 HA LYS 43 HA LYS 43 5.187 -1.467 6.922 254 HB2 LYS 43 HB2 LYS 43 4.215 -3.185 4.641 255 HB3 LYS 43 HB1 LYS 43 5.520 -3.681 5.710 256 HG2 LYS 43 HG2 LYS 43 3.748 -3.129 7.577 257 HG3 LYS 43 HG1 LYS 43 2.614 -3.416 6.256 258 HD2 LYS 43 HD2 LYS 43 2.779 -5.571 6.864 259 HD3 LYS 43 HD1 LYS 43 4.311 -5.531 5.989 260 HE2 LYS 43 HE2 LYS 43 4.318 -4.654 8.824 261 HE3 LYS 43 HE1 LYS 43 4.127 -6.377 8.503 262 HZ1 LYS 43 HZ1 LYS 43 6.402 -6.120 8.656 263 HZ2 LYS 43 HZ2 LYS 43 6.408 -4.621 7.873 264 HZ3 LYS 43 HZ3 LYS 43 6.158 -6.038 6.984 265 H THR 44 HN THR 44 7.273 -2.705 5.998 266 HA THR 44 HA THR 44 8.666 -0.686 4.457 267 HB THR 44 HB THR 44 10.535 -2.602 4.885 268 HG1 THR 44 HG1 THR 44 10.093 -3.774 6.618 269 HG21 THR 44 HG21 THR 44 11.015 -1.460 7.082 270 HG22 THR 44 HG22 THR 44 9.588 -0.472 6.771 271 HG23 THR 44 HG23 THR 44 10.953 -0.425 5.655 272 H GLU 45 HN GLU 45 10.288 -1.502 2.783 273 HA GLU 45 HA GLU 45 9.302 -3.768 1.230 274 HB2 GLU 45 HB2 GLU 45 9.453 -2.296 -0.859 275 HB3 GLU 45 HB1 GLU 45 8.048 -2.086 0.175 276 HG2 GLU 45 HG2 GLU 45 9.132 -0.129 1.205 277 HG3 GLU 45 HG1 GLU 45 10.485 -0.324 0.093 278 H GLN 46 HN GLN 46 10.777 -3.956 -0.837 279 HA GLN 46 HA GLN 46 13.531 -3.818 0.150 280 HB2 GLN 46 HB2 GLN 46 12.256 -5.459 -2.042 281 HB3 GLN 46 HB1 GLN 46 13.986 -5.441 -1.723 282 HG2 GLN 46 HG2 GLN 46 12.372 -5.979 0.645 283 HG3 GLN 46 HG1 GLN 46 12.175 -7.174 -0.636 284 HE21 GLN 46 HE21 GLN 46 13.719 -6.763 2.092 285 HE22 GLN 46 HE22 GLN 46 15.226 -7.542 1.763 286 HA PRO 47 HA PRO 47 14.359 -0.578 -2.785 287 HB2 PRO 47 HB2 PRO 47 17.038 -0.479 -2.548 288 HB3 PRO 47 HB1 PRO 47 15.963 0.091 -1.265 289 HG2 PRO 47 HG2 PRO 47 17.430 -2.509 -1.494 290 HG3 PRO 47 HG1 PRO 47 17.228 -1.459 -0.079 291 HD2 PRO 47 HD2 PRO 47 15.730 -3.700 -0.516 292 HD3 PRO 47 HD1 PRO 47 15.145 -2.296 0.397 293 H ASP 48 HN ASP 48 16.441 -0.302 -4.437 294 HA ASP 48 HA ASP 48 16.640 -2.787 -5.990 295 HB2 ASP 48 HB2 ASP 48 15.519 -0.165 -6.854 296 HB3 ASP 48 HB1 ASP 48 16.483 -1.065 -8.020 297 H PHE 49 HN PHE 49 18.597 -1.757 -4.285 298 HA PHE 49 HA PHE 49 20.776 -1.466 -6.144 299 HB2 PHE 49 HB2 PHE 49 19.908 0.800 -4.378 300 HB3 PHE 49 HB1 PHE 49 21.610 0.598 -4.783 301 HD1 PHE 49 HD2 PHE 49 21.574 -0.237 -7.544 302 HD2 PHE 49 HD1 PHE 49 19.121 2.614 -5.553 303 HE1 PHE 49 HE2 PHE 49 21.206 0.931 -9.678 304 HE2 PHE 49 HE1 PHE 49 18.748 3.787 -7.683 305 HZ PHE 49 HZ PHE 49 19.791 2.946 -9.749 306 HA PRO 50 HA PRO 50 21.716 -3.750 -2.206 307 HB2 PRO 50 HB2 PRO 50 22.725 -5.966 -3.385 308 HB3 PRO 50 HB1 PRO 50 20.993 -5.744 -3.105 309 HG2 PRO 50 HG2 PRO 50 22.576 -5.326 -5.612 310 HG3 PRO 50 HG1 PRO 50 20.995 -6.102 -5.404 311 HD2 PRO 50 HD2 PRO 50 21.280 -3.545 -6.277 312 HD3 PRO 50 HD1 PRO 50 19.878 -4.090 -5.335 313 H TRP 51 HN TRP 51 23.298 -1.926 -2.169 314 HA TRP 51 HA TRP 51 25.430 -1.165 -1.953 315 HB2 TRP 51 HB2 TRP 51 25.549 -3.722 -1.134 316 HB3 TRP 51 HB1 TRP 51 26.654 -3.813 -2.501 317 HD1 TRP 51 HD1 TRP 51 28.722 -1.887 -2.404 318 HE1 TRP 51 HE1 TRP 51 30.082 -1.148 -0.347 319 HE3 TRP 51 HE3 TRP 51 25.527 -3.427 1.278 320 HZ2 TRP 51 HZ2 TRP 51 29.833 -1.211 2.463 321 HZ3 TRP 51 HZ3 TRP 51 26.163 -3.051 3.625 322 HH2 TRP 51 HH2 TRP 51 28.272 -1.965 4.204 323 H ILE 52 HN ILE 52 27.245 -0.508 -3.176 324 HA ILE 52 HA ILE 52 26.875 -0.875 -6.051 325 HB ILE 52 HB ILE 52 28.914 0.978 -4.882 326 HG12 ILE 52 HG12 ILE 52 26.031 1.789 -5.243 327 HG13 ILE 52 HG11 ILE 52 26.669 1.264 -3.687 328 HG21 ILE 52 HG21 ILE 52 27.764 2.304 -6.907 329 HG22 ILE 52 HG22 ILE 52 27.451 0.647 -7.424 330 HG23 ILE 52 HG23 ILE 52 29.105 1.180 -7.125 331 HD11 ILE 52 HD11 ILE 52 27.724 3.194 -3.332 332 HD12 ILE 52 HD12 ILE 52 26.620 3.822 -4.556 333 HD13 ILE 52 HD13 ILE 52 28.253 3.331 -5.009 334 H TRP 53 HN TRP 53 29.040 -0.809 -7.328 335 HA TRP 53 HA TRP 53 30.944 -2.665 -6.065 336 HB2 TRP 53 HB2 TRP 53 29.396 -2.957 -8.515 337 HB3 TRP 53 HB1 TRP 53 31.124 -3.139 -8.801 338 HD1 TRP 53 HD1 TRP 53 28.536 -5.384 -8.547 339 HE1 TRP 53 HE1 TRP 53 29.101 -7.536 -7.253 340 HE3 TRP 53 HE3 TRP 53 32.684 -3.758 -6.038 341 HZ2 TRP 53 HZ2 TRP 53 31.046 -8.426 -5.412 342 HZ3 TRP 53 HZ3 TRP 53 33.838 -5.323 -4.530 343 HH2 TRP 53 HH2 TRP 53 33.034 -7.608 -4.224 344 H VAL 54 HN VAL 54 32.116 -0.697 -5.510 345 HA VAL 54 HA VAL 54 34.014 -0.015 -7.593 346 HB VAL 54 HB VAL 54 32.544 2.202 -6.165 347 HG11 VAL 54 HG11 VAL 54 34.875 2.054 -7.967 348 HG12 VAL 54 HG12 VAL 54 34.482 3.228 -6.711 349 HG13 VAL 54 HG13 VAL 54 33.720 3.345 -8.297 350 HG21 VAL 54 HG21 VAL 54 32.217 1.192 -8.989 351 HG22 VAL 54 HG22 VAL 54 31.535 2.696 -8.370 352 HG23 VAL 54 HG23 VAL 54 31.010 1.150 -7.703 Start of MODEL 9 1 H1 SER 5 HT1 SER 5 -16.288 -3.836 -9.320 2 H2 SER 5 HT2 SER 5 -16.041 -4.874 -7.974 3 H3 SER 5 HT3 SER 5 -17.594 -4.205 -8.273 4 HA SER 5 HA SER 5 -17.227 -6.579 -8.898 5 HB2 SER 5 HB2 SER 5 -18.343 -5.970 -11.244 6 HB3 SER 5 HB1 SER 5 -19.195 -5.714 -9.722 7 HG SER 5 HG SER 5 -18.728 -3.565 -9.821 8 H GLN 6 HN GLN 6 -14.565 -5.462 -9.184 9 HA GLN 6 HA GLN 6 -13.552 -7.148 -11.183 10 HB2 GLN 6 HB2 GLN 6 -12.605 -5.286 -12.662 11 HB3 GLN 6 HB1 GLN 6 -14.304 -5.690 -12.865 12 HG2 GLN 6 HG2 GLN 6 -15.017 -3.748 -11.780 13 HG3 GLN 6 HG1 GLN 6 -13.428 -3.457 -11.072 14 HE21 GLN 6 HE21 GLN 6 -15.294 -3.394 -14.037 15 HE22 GLN 6 HE22 GLN 6 -14.273 -2.285 -14.881 16 H GLY 7 HN GLY 7 -11.880 -7.779 -9.968 17 HA2 GLY 7 HA2 GLY 7 -10.462 -6.043 -8.209 18 HA3 GLY 7 HA1 GLY 7 -10.006 -7.686 -8.632 19 H GLU 8 HN GLU 8 -8.652 -8.043 -10.427 20 HA GLU 8 HA GLU 8 -6.774 -7.605 -11.632 21 HB2 GLU 8 HB2 GLU 8 -8.965 -6.180 -12.679 22 HB3 GLU 8 HB1 GLU 8 -7.580 -5.103 -12.795 23 HG2 GLU 8 HG2 GLU 8 -6.349 -6.746 -14.047 24 HG3 GLU 8 HG1 GLU 8 -7.638 -7.928 -13.826 25 H CYS 9 HN CYS 9 -6.643 -6.674 -8.984 26 HA CYS 9 HA CYS 9 -4.581 -4.655 -9.301 27 HB2 CYS 9 HB2 CYS 9 -5.509 -3.208 -7.515 28 HB3 CYS 9 HB1 CYS 9 -6.552 -3.279 -8.931 29 HA PRO 10 HA PRO 10 -3.290 -7.841 -6.283 30 HB2 PRO 10 HB2 PRO 10 -0.597 -7.074 -7.130 31 HB3 PRO 10 HB1 PRO 10 -1.394 -8.644 -7.240 32 HG2 PRO 10 HG2 PRO 10 -0.851 -7.139 -9.418 33 HG3 PRO 10 HG1 PRO 10 -2.266 -8.204 -9.323 34 HD2 PRO 10 HD2 PRO 10 -2.099 -5.235 -8.949 35 HD3 PRO 10 HD1 PRO 10 -3.323 -6.195 -9.809 36 H GLU 11 HN GLU 11 -0.780 -7.400 -5.068 37 HA GLU 11 HA GLU 11 -1.467 -5.590 -3.030 38 HB2 GLU 11 HB2 GLU 11 0.960 -5.872 -2.344 39 HB3 GLU 11 HB1 GLU 11 0.019 -7.352 -2.465 40 HG2 GLU 11 HG2 GLU 11 1.266 -6.778 -4.981 41 HG3 GLU 11 HG1 GLU 11 2.466 -6.761 -3.690 42 H GLY 12 HN GLY 12 0.480 -3.946 -2.396 43 HA2 GLY 12 HA2 GLY 12 1.196 -1.793 -2.808 44 HA3 GLY 12 HA1 GLY 12 1.804 -2.465 -4.317 45 H ARG 13 HN ARG 13 -1.521 -2.138 -3.191 46 HA ARG 13 HA ARG 13 -2.055 -0.146 -5.286 47 HB2 ARG 13 HB2 ARG 13 -3.070 -1.691 -6.542 48 HB3 ARG 13 HB1 ARG 13 -2.839 -2.908 -5.303 49 HG2 ARG 13 HG2 ARG 13 -4.942 -1.283 -4.414 50 HG3 ARG 13 HG1 ARG 13 -5.227 -1.584 -6.126 51 HD2 ARG 13 HD2 ARG 13 -5.234 -3.926 -5.803 52 HD3 ARG 13 HD1 ARG 13 -4.540 -3.780 -4.192 53 HE ARG 13 HE ARG 13 -7.096 -2.503 -4.453 54 HH11 ARG 13 HH11 ARG 13 -5.468 -5.523 -3.822 55 HH12 ARG 13 HH12 ARG 13 -6.798 -6.201 -2.944 56 HH21 ARG 13 HH21 ARG 13 -8.848 -3.392 -3.298 57 HH22 ARG 13 HH22 ARG 13 -8.718 -4.992 -2.647 58 H ALA 14 HN ALA 14 -4.454 0.582 -5.090 59 HA ALA 14 HA ALA 14 -5.278 0.654 -2.297 60 HB1 ALA 14 HB1 ALA 14 -6.045 3.115 -3.015 61 HB2 ALA 14 HB2 ALA 14 -4.582 2.959 -3.991 62 HB3 ALA 14 HB3 ALA 14 -4.502 2.766 -2.237 63 H TYR 15 HN TYR 15 -7.580 2.013 -2.381 64 HA TYR 15 HA TYR 15 -9.186 1.121 -4.633 65 HB2 TYR 15 HB2 TYR 15 -9.326 -0.848 -3.296 66 HB3 TYR 15 HB1 TYR 15 -9.551 0.086 -1.822 67 HD1 TYR 15 HD1 TYR 15 -11.197 -0.586 -5.106 68 HD2 TYR 15 HD2 TYR 15 -11.696 0.398 -0.997 69 HE1 TYR 15 HE1 TYR 15 -13.635 -0.786 -5.360 70 HE2 TYR 15 HE2 TYR 15 -14.134 0.201 -1.239 71 HH TYR 15 HH TYR 15 -15.768 -0.814 -2.663 72 H SER 16 HN SER 16 -10.328 2.864 -5.177 73 HA SER 16 HA SER 16 -10.990 4.840 -3.136 74 HB2 SER 16 HB2 SER 16 -11.925 5.747 -5.626 75 HB3 SER 16 HB1 SER 16 -10.453 6.249 -4.795 76 HG SER 16 HG SER 16 -10.793 4.490 -6.922 77 H GLN 17 HN GLN 17 -12.810 4.427 -2.057 78 HA GLN 17 HA GLN 17 -14.976 2.938 -3.054 79 HB2 GLN 17 HB2 GLN 17 -14.333 4.400 -0.620 80 HB3 GLN 17 HB1 GLN 17 -16.034 4.536 -1.043 81 HG2 GLN 17 HG2 GLN 17 -15.282 1.827 -1.366 82 HG3 GLN 17 HG1 GLN 17 -14.670 2.378 0.193 83 HE21 GLN 17 HE21 GLN 17 -17.435 1.555 -1.658 84 HE22 GLN 17 HE22 GLN 17 -18.610 1.752 -0.408 85 H ASP 18 HN ASP 18 -14.173 6.306 -3.182 86 HA ASP 18 HA ASP 18 -16.714 7.329 -3.850 87 HB2 ASP 18 HB2 ASP 18 -14.309 8.458 -3.296 88 HB3 ASP 18 HB1 ASP 18 -14.362 8.663 -5.044 89 H LEU 19 HN LEU 19 -13.914 6.630 -5.940 90 HA LEU 19 HA LEU 19 -15.390 6.903 -8.346 91 HB2 LEU 19 HB2 LEU 19 -12.657 6.079 -7.581 92 HB3 LEU 19 HB1 LEU 19 -13.245 5.455 -9.110 93 HG LEU 19 HG LEU 19 -11.941 7.528 -9.373 94 HD11 LEU 19 HD11 LEU 19 -13.217 8.238 -11.090 95 HD12 LEU 19 HD12 LEU 19 -14.655 8.423 -10.087 96 HD13 LEU 19 HD13 LEU 19 -14.189 6.826 -10.673 97 HD21 LEU 19 HD21 LEU 19 -12.983 8.392 -7.099 98 HD22 LEU 19 HD22 LEU 19 -14.146 9.132 -8.198 99 HD23 LEU 19 HD23 LEU 19 -12.429 9.505 -8.349 100 H GLY 20 HN GLY 20 -14.859 4.323 -6.129 101 HA2 GLY 20 HA2 GLY 20 -15.870 2.256 -6.003 102 HA3 GLY 20 HA1 GLY 20 -16.776 2.665 -7.452 103 H LYS 21 HN LYS 21 -13.274 2.361 -6.861 104 HA LYS 21 HA LYS 21 -13.077 -0.090 -8.320 105 HB2 LYS 21 HB2 LYS 21 -11.830 0.729 -10.237 106 HB3 LYS 21 HB1 LYS 21 -13.419 1.481 -10.189 107 HG2 LYS 21 HG2 LYS 21 -12.317 3.456 -9.074 108 HG3 LYS 21 HG1 LYS 21 -10.771 2.707 -9.477 109 HD2 LYS 21 HD2 LYS 21 -12.186 2.615 -11.853 110 HD3 LYS 21 HD1 LYS 21 -12.628 4.179 -11.164 111 HE2 LYS 21 HE2 LYS 21 -10.577 5.035 -11.489 112 HE3 LYS 21 HE1 LYS 21 -9.774 3.550 -10.981 113 HZ1 LYS 21 HZ1 LYS 21 -9.770 4.436 -13.483 114 HZ2 LYS 21 HZ2 LYS 21 -11.138 3.443 -13.543 115 HZ3 LYS 21 HZ3 LYS 21 -9.644 2.797 -13.083 116 H CYS 22 HN CYS 22 -10.922 -0.934 -8.372 117 HA CYS 22 HA CYS 22 -9.192 0.323 -6.356 118 HB2 CYS 22 HB2 CYS 22 -8.291 -1.859 -5.900 119 HB3 CYS 22 HB1 CYS 22 -10.046 -1.981 -5.884 120 H MET 23 HN MET 23 -7.275 1.123 -6.938 121 HA MET 23 HA MET 23 -6.123 0.242 -9.490 122 HB2 MET 23 HB2 MET 23 -6.558 2.315 -10.238 123 HB3 MET 23 HB1 MET 23 -6.955 2.897 -8.630 124 HG2 MET 23 HG2 MET 23 -4.513 3.120 -8.205 125 HG3 MET 23 HG1 MET 23 -4.247 2.761 -9.910 126 HE1 MET 23 HE1 MET 23 -3.645 4.406 -11.314 127 HE2 MET 23 HE2 MET 23 -4.355 6.005 -11.533 128 HE3 MET 23 HE3 MET 23 -5.279 4.565 -11.959 129 H GLU 24 HN GLU 24 -3.714 0.882 -9.582 130 HA GLU 24 HA GLU 24 -2.424 -0.369 -7.411 131 HB2 GLU 24 HB2 GLU 24 -0.379 0.005 -8.594 132 HB3 GLU 24 HB1 GLU 24 -1.618 -0.424 -9.770 133 HG2 GLU 24 HG2 GLU 24 -1.832 2.260 -9.762 134 HG3 GLU 24 HG1 GLU 24 -0.120 2.065 -9.401 135 H CYS 25 HN CYS 25 -0.679 0.442 -6.203 136 HA CYS 25 HA CYS 25 -1.209 3.087 -5.102 137 HB2 CYS 25 HB2 CYS 25 -1.024 1.373 -3.440 138 HB3 CYS 25 HB1 CYS 25 0.454 0.753 -4.158 139 H SER 26 HN SER 26 1.276 1.279 -6.777 140 HA SER 26 HA SER 26 3.451 2.969 -6.499 141 HB2 SER 26 HB2 SER 26 4.343 1.965 -8.465 142 HB3 SER 26 HB1 SER 26 3.348 0.722 -7.707 143 HG SER 26 HG SER 26 1.706 1.209 -9.189 144 H VAL 27 HN VAL 27 0.469 3.468 -8.140 145 HA VAL 27 HA VAL 27 1.317 5.449 -9.981 146 HB VAL 27 HB VAL 27 -0.925 4.073 -9.795 147 HG11 VAL 27 HG11 VAL 27 -1.677 6.655 -8.441 148 HG12 VAL 27 HG12 VAL 27 -1.674 5.054 -7.702 149 HG13 VAL 27 HG13 VAL 27 -2.794 5.419 -9.008 150 HG21 VAL 27 HG21 VAL 27 -0.730 5.154 -11.781 151 HG22 VAL 27 HG22 VAL 27 -0.327 6.697 -11.026 152 HG23 VAL 27 HG23 VAL 27 -2.002 6.145 -11.067 153 H CYS 28 HN CYS 28 -0.040 5.550 -6.767 154 HA CYS 28 HA CYS 28 -0.530 8.182 -6.325 155 HB2 CYS 28 HB2 CYS 28 -0.579 6.115 -4.710 156 HB3 CYS 28 HB1 CYS 28 1.010 6.696 -4.229 157 H LYS 29 HN LYS 29 0.746 9.668 -7.333 158 HA LYS 29 HA LYS 29 3.306 10.217 -6.077 159 HB2 LYS 29 HB2 LYS 29 3.645 8.715 -8.142 160 HB3 LYS 29 HB1 LYS 29 3.184 10.127 -9.082 161 HG2 LYS 29 HG2 LYS 29 5.373 10.570 -9.083 162 HG3 LYS 29 HG1 LYS 29 5.083 11.179 -7.452 163 HD2 LYS 29 HD2 LYS 29 5.487 8.712 -6.742 164 HD3 LYS 29 HD1 LYS 29 6.266 8.571 -8.319 165 HE2 LYS 29 HE2 LYS 29 8.039 9.817 -7.698 166 HE3 LYS 29 HE1 LYS 29 7.056 10.917 -6.732 167 HZ1 LYS 29 HZ1 LYS 29 8.744 9.155 -5.686 168 HZ2 LYS 29 HZ2 LYS 29 7.334 8.220 -5.693 169 HZ3 LYS 29 HZ3 LYS 29 7.361 9.703 -4.880 170 H ASN 30 HN ASN 30 1.317 11.216 -8.868 171 HA ASN 30 HA ASN 30 0.993 13.854 -7.700 172 HB2 ASN 30 HB2 ASN 30 3.136 13.849 -9.088 173 HB3 ASN 30 HB1 ASN 30 2.101 13.636 -10.497 174 HD21 ASN 30 HD21 ASN 30 0.764 15.313 -11.150 175 HD22 ASN 30 HD22 ASN 30 0.974 16.932 -10.585 176 H SER 31 HN SER 31 -1.137 14.099 -7.777 177 HA SER 31 HA SER 31 -2.554 14.264 -10.211 178 HB2 SER 31 HB2 SER 31 -4.028 12.350 -10.041 179 HB3 SER 31 HB1 SER 31 -2.360 11.775 -10.044 180 HG SER 31 HG SER 31 -3.586 10.754 -8.419 181 H GLU 32 HN GLU 32 -5.130 13.906 -9.471 182 HA GLU 32 HA GLU 32 -5.685 16.158 -7.910 183 HB2 GLU 32 HB2 GLU 32 -8.008 15.441 -7.976 184 HB3 GLU 32 HB1 GLU 32 -7.257 15.201 -9.548 185 HG2 GLU 32 HG2 GLU 32 -7.128 12.879 -7.765 186 HG3 GLU 32 HG1 GLU 32 -8.757 13.359 -8.242 187 H LYS 33 HN LYS 33 -7.460 15.764 -6.019 188 HA LYS 33 HA LYS 33 -5.937 14.839 -3.813 189 HB2 LYS 33 HB2 LYS 33 -8.116 15.204 -2.549 190 HB3 LYS 33 HB1 LYS 33 -7.445 16.604 -3.376 191 HG2 LYS 33 HG2 LYS 33 -9.216 15.219 -5.143 192 HG3 LYS 33 HG1 LYS 33 -10.029 15.522 -3.607 193 HD2 LYS 33 HD2 LYS 33 -8.469 17.773 -4.706 194 HD3 LYS 33 HD1 LYS 33 -9.906 17.312 -5.621 195 HE2 LYS 33 HE2 LYS 33 -11.242 18.265 -4.121 196 HE3 LYS 33 HE1 LYS 33 -10.486 17.370 -2.803 197 HZ1 LYS 33 HZ1 LYS 33 -8.625 19.162 -3.157 198 HZ2 LYS 33 HZ2 LYS 33 -9.983 19.492 -2.203 199 HZ3 LYS 33 HZ3 LYS 33 -9.908 20.064 -3.792 200 H SER 34 HN SER 34 -5.534 12.647 -4.686 201 HA SER 34 HA SER 34 -7.486 10.697 -5.038 202 HB2 SER 34 HB2 SER 34 -5.473 9.190 -4.097 203 HB3 SER 34 HB1 SER 34 -5.455 9.891 -5.715 204 HG SER 34 HG SER 34 -3.918 11.222 -5.130 205 H ASP 35 HN ASP 35 -8.661 9.428 -3.709 206 HA ASP 35 HA ASP 35 -8.372 9.905 -0.819 207 HB2 ASP 35 HB2 ASP 35 -10.682 9.770 -2.600 208 HB3 ASP 35 HB1 ASP 35 -10.860 8.741 -1.182 209 H PHE 36 HN PHE 36 -7.728 7.601 -3.131 210 HA PHE 36 HA PHE 36 -8.302 5.367 -1.332 211 HB2 PHE 36 HB2 PHE 36 -8.336 3.958 -3.147 212 HB3 PHE 36 HB1 PHE 36 -8.937 5.442 -3.864 213 HD1 PHE 36 HD2 PHE 36 -6.218 6.835 -4.082 214 HD2 PHE 36 HD1 PHE 36 -7.539 2.914 -5.076 215 HE1 PHE 36 HE2 PHE 36 -4.454 6.677 -5.789 216 HE2 PHE 36 HE1 PHE 36 -5.780 2.748 -6.781 217 HZ PHE 36 HZ PHE 36 -4.233 4.627 -7.140 218 H CYS 37 HN CYS 37 -5.701 7.326 -2.251 219 HA CYS 37 HA CYS 37 -3.610 5.465 -2.132 220 HB2 CYS 37 HB2 CYS 37 -3.784 8.414 -1.602 221 HB3 CYS 37 HB1 CYS 37 -2.292 7.546 -1.257 222 H GLN 38 HN GLN 38 -5.860 6.017 0.180 223 HA GLN 38 HA GLN 38 -4.046 5.712 2.435 224 HB2 GLN 38 HB2 GLN 38 -6.901 5.527 3.005 225 HB3 GLN 38 HB1 GLN 38 -5.695 6.599 3.699 226 HG2 GLN 38 HG2 GLN 38 -5.903 8.030 1.682 227 HG3 GLN 38 HG1 GLN 38 -7.214 6.986 1.135 228 HE21 GLN 38 HE21 GLN 38 -6.796 9.878 2.272 229 HE22 GLN 38 HE22 GLN 38 -8.152 10.055 3.327 230 H ASN 39 HN ASN 39 -5.674 3.846 0.201 231 HA ASN 39 HA ASN 39 -6.255 1.615 1.938 232 HB2 ASN 39 HB2 ASN 39 -7.627 2.024 -0.066 233 HB3 ASN 39 HB1 ASN 39 -6.207 1.775 -1.074 234 HD21 ASN 39 HD21 ASN 39 -8.385 0.223 1.199 235 HD22 ASN 39 HD22 ASN 39 -8.132 -1.388 0.629 236 H CYS 40 HN CYS 40 -3.888 2.517 -0.444 237 HA CYS 40 HA CYS 40 -2.333 0.336 -0.783 238 HB2 CYS 40 HB2 CYS 40 -1.784 2.339 -1.917 239 HB3 CYS 40 HB1 CYS 40 -1.561 3.222 -0.417 240 HA PRO 41 HA PRO 41 0.177 1.076 3.281 241 HB2 PRO 41 HB2 PRO 41 -0.877 2.779 5.122 242 HB3 PRO 41 HB1 PRO 41 0.258 3.294 3.868 243 HG2 PRO 41 HG2 PRO 41 -2.727 3.522 3.931 244 HG3 PRO 41 HG1 PRO 41 -1.523 4.718 3.416 245 HD2 PRO 41 HD2 PRO 41 -2.911 3.221 1.650 246 HD3 PRO 41 HD1 PRO 41 -1.237 3.730 1.352 247 H SER 42 HN SER 42 -3.288 1.643 3.927 248 HA SER 42 HA SER 42 -3.910 -0.940 4.725 249 HB2 SER 42 HB2 SER 42 -2.711 0.740 6.861 250 HB3 SER 42 HB1 SER 42 -4.150 -0.182 7.298 251 HG SER 42 HG SER 42 -2.590 -1.618 7.638 252 H LYS 43 HN LYS 43 -6.080 -1.161 5.331 253 HA LYS 43 HA LYS 43 -7.632 1.322 5.562 254 HB2 LYS 43 HB2 LYS 43 -9.362 0.311 4.063 255 HB3 LYS 43 HB1 LYS 43 -7.854 0.717 3.256 256 HG2 LYS 43 HG2 LYS 43 -7.367 -1.434 2.787 257 HG3 LYS 43 HG1 LYS 43 -8.065 -2.034 4.292 258 HD2 LYS 43 HD2 LYS 43 -9.898 -0.907 2.237 259 HD3 LYS 43 HD1 LYS 43 -9.202 -2.502 1.949 260 HE2 LYS 43 HE2 LYS 43 -10.960 -3.234 3.142 261 HE3 LYS 43 HE1 LYS 43 -9.994 -2.739 4.532 262 HZ1 LYS 43 HZ1 LYS 43 -11.318 -0.981 4.940 263 HZ2 LYS 43 HZ2 LYS 43 -12.471 -1.898 4.110 264 HZ3 LYS 43 HZ3 LYS 43 -11.629 -0.671 3.306 265 H THR 44 HN THR 44 -7.689 0.764 7.818 266 HA THR 44 HA THR 44 -9.957 -0.914 8.450 267 HB THR 44 HB THR 44 -8.562 -2.074 10.287 268 HG1 THR 44 HG1 THR 44 -6.570 -1.424 10.275 269 HG21 THR 44 HG21 THR 44 -7.549 -3.166 7.773 270 HG22 THR 44 HG22 THR 44 -9.297 -2.934 7.825 271 HG23 THR 44 HG23 THR 44 -8.501 -3.927 9.047 272 H GLU 45 HN GLU 45 -10.639 1.307 8.938 273 HA GLU 45 HA GLU 45 -11.176 2.956 10.409 274 HB2 GLU 45 HB2 GLU 45 -10.201 0.786 12.230 275 HB3 GLU 45 HB1 GLU 45 -10.578 2.370 12.895 276 HG2 GLU 45 HG2 GLU 45 -12.658 1.331 11.140 277 HG3 GLU 45 HG1 GLU 45 -12.344 0.310 12.542 278 H GLN 46 HN GLN 46 -10.285 4.716 11.640 279 HA GLN 46 HA GLN 46 -7.684 5.445 10.813 280 HB2 GLN 46 HB2 GLN 46 -9.907 6.709 12.043 281 HB3 GLN 46 HB1 GLN 46 -8.508 7.014 13.064 282 HG2 GLN 46 HG2 GLN 46 -7.531 8.360 11.553 283 HG3 GLN 46 HG1 GLN 46 -8.078 7.398 10.181 284 HE21 GLN 46 HE21 GLN 46 -8.104 10.305 10.648 285 HE22 GLN 46 HE22 GLN 46 -9.749 10.794 10.439 286 HA PRO 47 HA PRO 47 -5.057 3.753 13.918 287 HB2 PRO 47 HB2 PRO 47 -3.251 5.778 14.273 288 HB3 PRO 47 HB1 PRO 47 -3.241 4.688 12.883 289 HG2 PRO 47 HG2 PRO 47 -4.352 7.458 13.112 290 HG3 PRO 47 HG1 PRO 47 -3.422 6.730 11.788 291 HD2 PRO 47 HD2 PRO 47 -6.095 7.006 11.662 292 HD3 PRO 47 HD1 PRO 47 -5.262 5.616 10.937 293 H ASP 48 HN ASP 48 -3.714 4.846 15.973 294 HA ASP 48 HA ASP 48 -3.911 5.528 18.133 295 HB2 ASP 48 HB2 ASP 48 -4.724 7.652 16.655 296 HB3 ASP 48 HB1 ASP 48 -6.168 7.370 17.622 297 H PHE 49 HN PHE 49 -5.347 3.247 17.374 298 HA PHE 49 HA PHE 49 -7.731 3.444 19.097 299 HB2 PHE 49 HB2 PHE 49 -8.683 1.569 17.808 300 HB3 PHE 49 HB1 PHE 49 -8.357 2.965 16.787 301 HD1 PHE 49 HD1 PHE 49 -6.580 2.914 15.138 302 HD2 PHE 49 HD2 PHE 49 -7.425 -0.472 17.573 303 HE1 PHE 49 HE1 PHE 49 -5.247 1.500 13.627 304 HE2 PHE 49 HE2 PHE 49 -6.094 -1.892 16.068 305 HZ PHE 49 HZ PHE 49 -5.002 -0.906 14.093 306 HA PRO 50 HA PRO 50 -5.753 0.484 21.721 307 HB2 PRO 50 HB2 PRO 50 -7.891 -0.492 23.048 308 HB3 PRO 50 HB1 PRO 50 -7.287 1.149 23.311 309 HG2 PRO 50 HG2 PRO 50 -9.595 0.225 21.641 310 HG3 PRO 50 HG1 PRO 50 -9.494 1.613 22.740 311 HD2 PRO 50 HD2 PRO 50 -9.238 1.832 20.038 312 HD3 PRO 50 HD1 PRO 50 -8.437 2.929 21.180 313 H TRP 51 HN TRP 51 -6.170 -1.892 22.494 314 HA TRP 51 HA TRP 51 -6.117 -3.530 20.167 315 HB2 TRP 51 HB2 TRP 51 -6.149 -4.237 23.107 316 HB3 TRP 51 HB1 TRP 51 -5.920 -5.408 21.813 317 HD1 TRP 51 HD1 TRP 51 -3.890 -3.823 24.218 318 HE1 TRP 51 HE1 TRP 51 -1.478 -3.433 23.411 319 HE3 TRP 51 HE3 TRP 51 -4.607 -4.416 19.190 320 HZ2 TRP 51 HZ2 TRP 51 -0.064 -3.383 20.967 321 HZ3 TRP 51 HZ3 TRP 51 -2.673 -4.181 17.687 322 HH2 TRP 51 HH2 TRP 51 -0.449 -3.674 18.559 323 H ILE 52 HN ILE 52 -7.406 -5.768 20.470 324 HA ILE 52 HA ILE 52 -10.211 -4.993 20.317 325 HB ILE 52 HB ILE 52 -9.007 -7.690 19.699 326 HG12 ILE 52 HG12 ILE 52 -7.941 -5.980 18.311 327 HG13 ILE 52 HG11 ILE 52 -9.019 -6.977 17.340 328 HG21 ILE 52 HG21 ILE 52 -11.690 -6.496 19.499 329 HG22 ILE 52 HG22 ILE 52 -11.207 -8.179 19.701 330 HG23 ILE 52 HG23 ILE 52 -11.164 -7.436 18.102 331 HD11 ILE 52 HD11 ILE 52 -10.748 -5.124 17.735 332 HD12 ILE 52 HD12 ILE 52 -9.431 -4.820 16.601 333 HD13 ILE 52 HD13 ILE 52 -9.367 -4.145 18.229 334 H TRP 53 HN TRP 53 -9.488 -4.817 22.881 335 HA TRP 53 HA TRP 53 -10.030 -5.478 24.988 336 HB2 TRP 53 HB2 TRP 53 -12.088 -6.580 23.267 337 HB3 TRP 53 HB1 TRP 53 -11.832 -7.596 24.681 338 HD1 TRP 53 HD1 TRP 53 -11.900 -3.721 24.369 339 HE1 TRP 53 HE1 TRP 53 -13.580 -2.824 26.100 340 HE3 TRP 53 HE3 TRP 53 -13.554 -8.168 26.276 341 HZ2 TRP 53 HZ2 TRP 53 -15.370 -3.864 28.018 342 HZ3 TRP 53 HZ3 TRP 53 -15.251 -8.128 28.057 343 HH2 TRP 53 HH2 TRP 53 -16.140 -6.020 28.910 344 H VAL 54 HN VAL 54 -9.755 -7.198 26.561 345 HA VAL 54 HA VAL 54 -7.591 -8.934 25.851 346 HB VAL 54 HB VAL 54 -9.156 -8.901 28.434 347 HG11 VAL 54 HG11 VAL 54 -7.801 -10.873 28.224 348 HG12 VAL 54 HG12 VAL 54 -7.030 -9.779 29.372 349 HG13 VAL 54 HG13 VAL 54 -6.406 -9.915 27.728 350 HG21 VAL 54 HG21 VAL 54 -6.557 -7.541 28.336 351 HG22 VAL 54 HG22 VAL 54 -8.056 -7.072 29.137 352 HG23 VAL 54 HG23 VAL 54 -7.839 -6.753 27.417 Start of MODEL 10 1 H1 SER 5 HT1 SER 5 -18.203 -6.496 -4.415 2 H2 SER 5 HT2 SER 5 -17.782 -7.237 -2.925 3 H3 SER 5 HT3 SER 5 -19.319 -7.533 -3.631 4 HA SER 5 HA SER 5 -17.590 -9.304 -3.851 5 HB2 SER 5 HB2 SER 5 -18.695 -8.292 -6.466 6 HB3 SER 5 HB1 SER 5 -18.547 -9.958 -5.906 7 HG SER 5 HG SER 5 -20.184 -9.527 -4.390 8 H GLN 6 HN GLN 6 -16.017 -6.829 -3.760 9 HA GLN 6 HA GLN 6 -14.030 -7.577 -5.773 10 HB2 GLN 6 HB2 GLN 6 -15.028 -4.763 -5.311 11 HB3 GLN 6 HB1 GLN 6 -13.579 -5.157 -6.225 12 HG2 GLN 6 HG2 GLN 6 -15.920 -6.623 -7.130 13 HG3 GLN 6 HG1 GLN 6 -16.112 -4.875 -7.242 14 HE21 GLN 6 HE21 GLN 6 -15.584 -4.117 -9.150 15 HE22 GLN 6 HE22 GLN 6 -14.331 -4.710 -10.179 16 H GLY 7 HN GLY 7 -12.230 -8.047 -4.711 17 HA2 GLY 7 HA2 GLY 7 -11.231 -6.223 -2.676 18 HA3 GLY 7 HA1 GLY 7 -11.594 -7.853 -2.126 19 H GLU 8 HN GLU 8 -9.686 -8.817 -1.810 20 HA GLU 8 HA GLU 8 -7.567 -9.566 -2.132 21 HB2 GLU 8 HB2 GLU 8 -9.157 -10.189 -4.373 22 HB3 GLU 8 HB1 GLU 8 -7.576 -9.741 -4.998 23 HG2 GLU 8 HG2 GLU 8 -6.519 -11.397 -3.580 24 HG3 GLU 8 HG1 GLU 8 -8.080 -11.808 -2.870 25 H CYS 9 HN CYS 9 -7.641 -6.846 -1.863 26 HA CYS 9 HA CYS 9 -5.822 -5.813 -3.924 27 HB2 CYS 9 HB2 CYS 9 -7.393 -4.345 -1.796 28 HB3 CYS 9 HB1 CYS 9 -6.331 -3.578 -2.974 29 HA PRO 10 HA PRO 10 -2.851 -6.693 -0.537 30 HB2 PRO 10 HB2 PRO 10 -0.718 -7.058 -2.166 31 HB3 PRO 10 HB1 PRO 10 -1.903 -8.331 -1.847 32 HG2 PRO 10 HG2 PRO 10 -1.696 -6.484 -4.196 33 HG3 PRO 10 HG1 PRO 10 -2.010 -8.229 -4.172 34 HD2 PRO 10 HD2 PRO 10 -3.986 -6.404 -4.468 35 HD3 PRO 10 HD1 PRO 10 -4.234 -7.949 -3.631 36 H GLU 11 HN GLU 11 -0.305 -5.833 -0.704 37 HA GLU 11 HA GLU 11 -0.506 -3.067 -0.247 38 HB2 GLU 11 HB2 GLU 11 1.769 -5.004 -0.462 39 HB3 GLU 11 HB1 GLU 11 2.099 -3.281 -0.360 40 HG2 GLU 11 HG2 GLU 11 0.481 -3.429 1.704 41 HG3 GLU 11 HG1 GLU 11 0.964 -5.124 1.676 42 H GLY 12 HN GLY 12 1.407 -1.676 -1.329 43 HA2 GLY 12 HA2 GLY 12 1.906 -0.401 -3.178 44 HA3 GLY 12 HA1 GLY 12 2.115 -1.947 -3.985 45 H ARG 13 HN ARG 13 -0.889 -0.722 -2.642 46 HA ARG 13 HA ARG 13 -1.991 0.283 -5.054 47 HB2 ARG 13 HB2 ARG 13 -2.627 -1.607 -6.058 48 HB3 ARG 13 HB1 ARG 13 -1.886 -2.534 -4.763 49 HG2 ARG 13 HG2 ARG 13 -4.066 -2.077 -3.483 50 HG3 ARG 13 HG1 ARG 13 -4.715 -1.669 -5.072 51 HD2 ARG 13 HD2 ARG 13 -3.234 -4.231 -4.642 52 HD3 ARG 13 HD1 ARG 13 -4.937 -4.101 -4.216 53 HE ARG 13 HE ARG 13 -5.247 -3.392 -6.620 54 HH11 ARG 13 HH11 ARG 13 -2.659 -5.536 -5.642 55 HH12 ARG 13 HH12 ARG 13 -2.554 -6.303 -7.188 56 HH21 ARG 13 HH21 ARG 13 -5.098 -4.409 -8.645 57 HH22 ARG 13 HH22 ARG 13 -3.933 -5.666 -8.889 58 H ALA 14 HN ALA 14 -4.578 0.205 -4.793 59 HA ALA 14 HA ALA 14 -5.509 0.104 -2.108 60 HB1 ALA 14 HB1 ALA 14 -4.605 2.660 -3.207 61 HB2 ALA 14 HB2 ALA 14 -4.827 2.156 -1.533 62 HB3 ALA 14 HB3 ALA 14 -6.212 2.694 -2.483 63 H TYR 15 HN TYR 15 -7.782 1.112 -1.957 64 HA TYR 15 HA TYR 15 -9.243 0.678 -4.476 65 HB2 TYR 15 HB2 TYR 15 -9.560 -1.287 -3.070 66 HB3 TYR 15 HB1 TYR 15 -10.017 -0.272 -1.708 67 HD1 TYR 15 HD2 TYR 15 -11.100 -1.651 -4.928 68 HD2 TYR 15 HD1 TYR 15 -12.222 0.720 -1.580 69 HE1 TYR 15 HE2 TYR 15 -13.453 -1.797 -5.623 70 HE2 TYR 15 HE1 TYR 15 -14.580 0.580 -2.265 71 HH TYR 15 HH TYR 15 -15.929 -1.355 -3.840 72 H SER 16 HN SER 16 -10.535 2.341 -5.027 73 HA SER 16 HA SER 16 -10.998 4.412 -3.003 74 HB2 SER 16 HB2 SER 16 -11.844 5.299 -5.571 75 HB3 SER 16 HB1 SER 16 -10.452 5.844 -4.633 76 HG SER 16 HG SER 16 -10.595 3.961 -6.699 77 H GLN 17 HN GLN 17 -12.885 4.321 -1.994 78 HA GLN 17 HA GLN 17 -15.103 2.845 -2.894 79 HB2 GLN 17 HB2 GLN 17 -14.539 4.702 -0.659 80 HB3 GLN 17 HB1 GLN 17 -16.232 4.507 -1.095 81 HG2 GLN 17 HG2 GLN 17 -14.764 1.991 -0.871 82 HG3 GLN 17 HG1 GLN 17 -14.850 2.916 0.627 83 HE21 GLN 17 HE21 GLN 17 -16.394 0.687 -1.282 84 HE22 GLN 17 HE22 GLN 17 -17.981 0.796 -0.607 85 H ASP 18 HN ASP 18 -14.101 6.112 -3.412 86 HA ASP 18 HA ASP 18 -16.566 7.230 -4.184 87 HB2 ASP 18 HB2 ASP 18 -14.073 8.231 -3.813 88 HB3 ASP 18 HB1 ASP 18 -14.145 8.208 -5.572 89 H LEU 19 HN LEU 19 -13.881 6.051 -6.207 90 HA LEU 19 HA LEU 19 -15.415 6.119 -8.595 91 HB2 LEU 19 HB2 LEU 19 -12.713 5.795 -7.911 92 HB3 LEU 19 HB1 LEU 19 -13.166 4.322 -8.745 93 HG LEU 19 HG LEU 19 -14.204 6.117 -10.454 94 HD11 LEU 19 HD11 LEU 19 -13.015 7.826 -8.752 95 HD12 LEU 19 HD12 LEU 19 -13.232 8.149 -10.473 96 HD13 LEU 19 HD13 LEU 19 -11.689 7.537 -9.877 97 HD21 LEU 19 HD21 LEU 19 -11.703 5.999 -11.435 98 HD22 LEU 19 HD22 LEU 19 -12.843 4.655 -11.506 99 HD23 LEU 19 HD23 LEU 19 -11.621 4.711 -10.234 100 H GLY 20 HN GLY 20 -14.929 3.807 -6.089 101 HA2 GLY 20 HA2 GLY 20 -16.009 1.816 -5.674 102 HA3 GLY 20 HA1 GLY 20 -16.994 2.116 -7.098 103 H LYS 21 HN LYS 21 -13.504 1.563 -6.576 104 HA LYS 21 HA LYS 21 -13.455 -1.017 -7.678 105 HB2 LYS 21 HB2 LYS 21 -12.530 -0.613 -9.883 106 HB3 LYS 21 HB1 LYS 21 -14.099 0.167 -9.751 107 HG2 LYS 21 HG2 LYS 21 -13.107 1.985 -10.554 108 HG3 LYS 21 HG1 LYS 21 -12.351 2.144 -8.967 109 HD2 LYS 21 HD2 LYS 21 -10.327 1.594 -9.757 110 HD3 LYS 21 HD1 LYS 21 -10.969 0.267 -10.726 111 HE2 LYS 21 HE2 LYS 21 -11.475 3.071 -11.599 112 HE3 LYS 21 HE1 LYS 21 -9.877 2.373 -11.861 113 HZ1 LYS 21 HZ1 LYS 21 -11.416 0.416 -12.781 114 HZ2 LYS 21 HZ2 LYS 21 -10.837 1.671 -13.756 115 HZ3 LYS 21 HZ3 LYS 21 -12.409 1.740 -13.136 116 H CYS 22 HN CYS 22 -11.395 -1.934 -7.591 117 HA CYS 22 HA CYS 22 -9.506 -0.439 -6.012 118 HB2 CYS 22 HB2 CYS 22 -10.134 -3.033 -5.965 119 HB3 CYS 22 HB1 CYS 22 -8.781 -3.111 -7.088 120 H MET 23 HN MET 23 -7.491 0.195 -6.554 121 HA MET 23 HA MET 23 -6.637 -0.128 -9.343 122 HB2 MET 23 HB2 MET 23 -5.751 2.424 -8.501 123 HB3 MET 23 HB1 MET 23 -6.927 2.059 -9.752 124 HG2 MET 23 HG2 MET 23 -8.639 1.999 -7.922 125 HG3 MET 23 HG1 MET 23 -7.388 2.647 -6.873 126 HE1 MET 23 HE1 MET 23 -9.647 4.419 -10.279 127 HE2 MET 23 HE2 MET 23 -8.811 2.866 -10.253 128 HE3 MET 23 HE3 MET 23 -7.974 4.309 -10.826 129 H GLU 24 HN GLU 24 -4.329 1.515 -8.950 130 HA GLU 24 HA GLU 24 -2.806 -0.187 -7.096 131 HB2 GLU 24 HB2 GLU 24 -0.894 0.080 -8.568 132 HB3 GLU 24 HB1 GLU 24 -2.260 -0.588 -9.461 133 HG2 GLU 24 HG2 GLU 24 -2.724 1.579 -10.397 134 HG3 GLU 24 HG1 GLU 24 -1.435 2.282 -9.426 135 H CYS 25 HN CYS 25 -0.824 0.779 -6.261 136 HA CYS 25 HA CYS 25 -1.330 3.461 -5.319 137 HB2 CYS 25 HB2 CYS 25 -0.079 1.303 -4.196 138 HB3 CYS 25 HB1 CYS 25 1.293 2.281 -4.697 139 H SER 26 HN SER 26 0.703 1.865 -7.644 140 HA SER 26 HA SER 26 2.640 3.808 -8.087 141 HB2 SER 26 HB2 SER 26 1.469 1.587 -9.624 142 HB3 SER 26 HB1 SER 26 2.112 2.888 -10.625 143 HG SER 26 HG SER 26 4.092 2.664 -9.520 144 H VAL 27 HN VAL 27 -0.751 3.789 -8.728 145 HA VAL 27 HA VAL 27 -0.779 5.842 -10.702 146 HB VAL 27 HB VAL 27 -2.937 4.810 -8.867 147 HG11 VAL 27 HG11 VAL 27 -2.961 7.082 -10.780 148 HG12 VAL 27 HG12 VAL 27 -3.841 6.866 -9.267 149 HG13 VAL 27 HG13 VAL 27 -4.377 6.032 -10.727 150 HG21 VAL 27 HG21 VAL 27 -3.482 3.352 -10.489 151 HG22 VAL 27 HG22 VAL 27 -1.825 3.619 -11.031 152 HG23 VAL 27 HG23 VAL 27 -3.152 4.506 -11.781 153 H CYS 28 HN CYS 28 -0.755 5.774 -7.236 154 HA CYS 28 HA CYS 28 -1.549 8.454 -6.785 155 HB2 CYS 28 HB2 CYS 28 -0.726 6.202 -5.202 156 HB3 CYS 28 HB1 CYS 28 0.143 7.635 -4.669 157 H LYS 29 HN LYS 29 1.670 6.962 -6.437 158 HA LYS 29 HA LYS 29 3.771 7.787 -6.693 159 HB2 LYS 29 HB2 LYS 29 2.467 8.388 -8.983 160 HB3 LYS 29 HB1 LYS 29 2.931 10.002 -8.463 161 HG2 LYS 29 HG2 LYS 29 5.104 9.664 -8.907 162 HG3 LYS 29 HG1 LYS 29 5.070 7.996 -8.329 163 HD2 LYS 29 HD2 LYS 29 3.536 7.840 -10.581 164 HD3 LYS 29 HD1 LYS 29 4.721 9.065 -11.038 165 HE2 LYS 29 HE2 LYS 29 5.867 7.193 -11.652 166 HE3 LYS 29 HE1 LYS 29 6.397 7.316 -9.974 167 HZ1 LYS 29 HZ1 LYS 29 4.680 5.346 -11.235 168 HZ2 LYS 29 HZ2 LYS 29 4.187 5.855 -9.699 169 HZ3 LYS 29 HZ3 LYS 29 5.726 5.188 -9.913 170 H ASN 30 HN ASN 30 1.787 9.068 -4.760 171 HA ASN 30 HA ASN 30 1.675 10.825 -3.309 172 HB2 ASN 30 HB2 ASN 30 4.141 9.722 -3.159 173 HB3 ASN 30 HB1 ASN 30 4.571 11.386 -3.547 174 HD21 ASN 30 HD21 ASN 30 3.784 13.064 -2.146 175 HD22 ASN 30 HD22 ASN 30 3.490 12.721 -0.478 176 H SER 31 HN SER 31 0.518 12.284 -4.607 177 HA SER 31 HA SER 31 1.872 14.743 -5.123 178 HB2 SER 31 HB2 SER 31 1.529 14.899 -7.506 179 HB3 SER 31 HB1 SER 31 2.431 13.418 -7.180 180 HG SER 31 HG SER 31 0.895 12.474 -8.247 181 H GLU 32 HN GLU 32 -1.032 12.854 -5.935 182 HA GLU 32 HA GLU 32 -2.664 15.246 -5.457 183 HB2 GLU 32 HB2 GLU 32 -4.476 13.995 -6.570 184 HB3 GLU 32 HB1 GLU 32 -3.057 14.158 -7.595 185 HG2 GLU 32 HG2 GLU 32 -2.392 11.871 -7.020 186 HG3 GLU 32 HG1 GLU 32 -3.840 11.712 -6.027 187 H LYS 33 HN LYS 33 -4.576 15.086 -4.157 188 HA LYS 33 HA LYS 33 -4.151 13.496 -1.794 189 HB2 LYS 33 HB2 LYS 33 -6.219 14.656 -0.983 190 HB3 LYS 33 HB1 LYS 33 -4.923 15.739 -1.471 191 HG2 LYS 33 HG2 LYS 33 -6.751 15.128 -3.646 192 HG3 LYS 33 HG1 LYS 33 -7.550 15.884 -2.266 193 HD2 LYS 33 HD2 LYS 33 -5.102 16.947 -3.675 194 HD3 LYS 33 HD1 LYS 33 -6.749 17.544 -3.892 195 HE2 LYS 33 HE2 LYS 33 -6.172 19.018 -2.294 196 HE3 LYS 33 HE1 LYS 33 -6.507 17.678 -1.198 197 HZ1 LYS 33 HZ1 LYS 33 -4.360 17.480 -0.673 198 HZ2 LYS 33 HZ2 LYS 33 -4.179 19.031 -1.324 199 HZ3 LYS 33 HZ3 LYS 33 -3.832 17.673 -2.269 200 H SER 34 HN SER 34 -4.395 11.556 -3.411 201 HA SER 34 HA SER 34 -6.921 10.735 -4.291 202 HB2 SER 34 HB2 SER 34 -4.319 9.689 -4.322 203 HB3 SER 34 HB1 SER 34 -5.290 8.482 -3.479 204 HG SER 34 HG SER 34 -6.783 8.689 -5.303 205 H ASP 35 HN ASP 35 -8.603 9.723 -3.345 206 HA ASP 35 HA ASP 35 -8.718 9.691 -0.474 207 HB2 ASP 35 HB2 ASP 35 -10.641 9.293 -2.704 208 HB3 ASP 35 HB1 ASP 35 -11.043 8.549 -1.159 209 H PHE 36 HN PHE 36 -7.872 7.423 -2.882 210 HA PHE 36 HA PHE 36 -8.444 5.144 -1.142 211 HB2 PHE 36 HB2 PHE 36 -8.414 3.815 -3.016 212 HB3 PHE 36 HB1 PHE 36 -8.863 5.339 -3.764 213 HD1 PHE 36 HD2 PHE 36 -6.261 6.730 -3.832 214 HD2 PHE 36 HD1 PHE 36 -7.268 2.686 -4.644 215 HE1 PHE 36 HE2 PHE 36 -4.295 6.539 -5.299 216 HE2 PHE 36 HE1 PHE 36 -5.302 2.479 -6.104 217 HZ PHE 36 HZ PHE 36 -3.818 4.406 -6.430 218 H CYS 37 HN CYS 37 -5.838 7.175 -1.952 219 HA CYS 37 HA CYS 37 -3.726 5.361 -1.731 220 HB2 CYS 37 HB2 CYS 37 -3.960 8.121 -2.036 221 HB3 CYS 37 HB1 CYS 37 -3.113 7.931 -0.506 222 H GLN 38 HN GLN 38 -6.067 5.909 0.502 223 HA GLN 38 HA GLN 38 -4.360 5.710 2.834 224 HB2 GLN 38 HB2 GLN 38 -6.663 5.352 3.951 225 HB3 GLN 38 HB1 GLN 38 -6.274 6.943 3.320 226 HG2 GLN 38 HG2 GLN 38 -7.899 6.868 1.789 227 HG3 GLN 38 HG1 GLN 38 -7.616 5.166 1.423 228 HE21 GLN 38 HE21 GLN 38 -10.085 6.775 1.960 229 HE22 GLN 38 HE22 GLN 38 -10.915 5.901 3.198 230 H ASN 39 HN ASN 39 -5.862 3.700 0.586 231 HA ASN 39 HA ASN 39 -6.182 1.394 2.243 232 HB2 ASN 39 HB2 ASN 39 -6.845 2.120 -0.405 233 HB3 ASN 39 HB1 ASN 39 -5.801 0.705 -0.518 234 HD21 ASN 39 HD21 ASN 39 -6.446 -1.230 0.501 235 HD22 ASN 39 HD22 ASN 39 -8.107 -1.527 0.873 236 H CYS 40 HN CYS 40 -3.775 2.520 -0.025 237 HA CYS 40 HA CYS 40 -1.979 0.478 -0.172 238 HB2 CYS 40 HB2 CYS 40 -1.469 3.442 0.102 239 HB3 CYS 40 HB1 CYS 40 -0.201 2.286 -0.282 240 HA PRO 41 HA PRO 41 -0.240 -0.086 3.867 241 HB2 PRO 41 HB2 PRO 41 2.242 -0.944 3.324 242 HB3 PRO 41 HB1 PRO 41 0.819 -1.908 2.908 243 HG2 PRO 41 HG2 PRO 41 2.497 -0.155 1.157 244 HG3 PRO 41 HG1 PRO 41 1.828 -1.761 0.819 245 HD2 PRO 41 HD2 PRO 41 0.703 0.582 -0.057 246 HD3 PRO 41 HD1 PRO 41 -0.210 -0.915 0.211 247 H SER 42 HN SER 42 0.323 1.451 5.283 248 HA SER 42 HA SER 42 2.559 3.239 4.597 249 HB2 SER 42 HB2 SER 42 0.277 4.337 4.446 250 HB3 SER 42 HB1 SER 42 0.142 4.101 6.189 251 HG SER 42 HG SER 42 1.925 5.737 4.749 252 H LYS 43 HN LYS 43 4.088 3.498 6.115 253 HA LYS 43 HA LYS 43 5.312 3.116 7.994 254 HB2 LYS 43 HB2 LYS 43 2.576 3.521 9.198 255 HB3 LYS 43 HB1 LYS 43 4.028 3.330 10.174 256 HG2 LYS 43 HG2 LYS 43 4.998 5.304 9.053 257 HG3 LYS 43 HG1 LYS 43 3.483 5.515 8.175 258 HD2 LYS 43 HD2 LYS 43 3.181 5.254 11.082 259 HD3 LYS 43 HD1 LYS 43 4.076 6.684 10.564 260 HE2 LYS 43 HE2 LYS 43 1.433 5.916 9.357 261 HE3 LYS 43 HE1 LYS 43 1.551 6.920 10.801 262 HZ1 LYS 43 HZ1 LYS 43 2.693 8.586 9.605 263 HZ2 LYS 43 HZ2 LYS 43 1.374 8.147 8.643 264 HZ3 LYS 43 HZ3 LYS 43 2.922 7.586 8.259 265 H THR 44 HN THR 44 6.068 1.062 7.749 266 HA THR 44 HA THR 44 5.293 -0.906 9.573 267 HB THR 44 HB THR 44 3.339 -1.384 8.364 268 HG1 THR 44 HG1 THR 44 3.782 -3.419 7.415 269 HG21 THR 44 HG21 THR 44 3.033 -1.432 6.077 270 HG22 THR 44 HG22 THR 44 4.754 -1.636 5.748 271 HG23 THR 44 HG23 THR 44 4.140 -0.076 6.295 272 H GLU 45 HN GLU 45 6.468 -0.704 6.211 273 HA GLU 45 HA GLU 45 8.332 -1.529 5.200 274 HB2 GLU 45 HB2 GLU 45 9.137 -0.080 7.427 275 HB3 GLU 45 HB1 GLU 45 10.043 -1.581 7.559 276 HG2 GLU 45 HG2 GLU 45 10.002 -0.299 4.902 277 HG3 GLU 45 HG1 GLU 45 10.890 0.540 6.174 278 H GLN 46 HN GLN 46 6.544 -3.468 6.173 279 HA GLN 46 HA GLN 46 7.849 -5.531 7.598 280 HB2 GLN 46 HB2 GLN 46 5.297 -5.172 6.209 281 HB3 GLN 46 HB1 GLN 46 5.907 -6.820 6.144 282 HG2 GLN 46 HG2 GLN 46 6.260 -6.439 8.720 283 HG3 GLN 46 HG1 GLN 46 5.016 -5.213 8.478 284 HE21 GLN 46 HE21 GLN 46 3.025 -5.883 8.776 285 HE22 GLN 46 HE22 GLN 46 2.448 -7.500 8.585 286 HA PRO 47 HA PRO 47 8.388 -7.719 3.268 287 HB2 PRO 47 HB2 PRO 47 8.278 -5.941 1.146 288 HB3 PRO 47 HB1 PRO 47 6.965 -7.016 1.637 289 HG2 PRO 47 HG2 PRO 47 7.381 -4.122 2.254 290 HG3 PRO 47 HG1 PRO 47 5.881 -4.983 1.863 291 HD2 PRO 47 HD2 PRO 47 6.483 -4.301 4.385 292 HD3 PRO 47 HD1 PRO 47 5.661 -5.830 4.014 293 H ASP 48 HN ASP 48 10.037 -7.178 1.303 294 HA ASP 48 HA ASP 48 12.058 -5.252 2.043 295 HB2 ASP 48 HB2 ASP 48 12.379 -8.175 2.537 296 HB3 ASP 48 HB1 ASP 48 13.772 -7.286 1.928 297 H PHE 49 HN PHE 49 10.829 -4.928 -0.168 298 HA PHE 49 HA PHE 49 11.320 -6.391 -2.435 299 HB2 PHE 49 HB2 PHE 49 10.839 -3.509 -1.894 300 HB3 PHE 49 HB1 PHE 49 11.430 -3.936 -3.497 301 HD1 PHE 49 HD1 PHE 49 8.718 -4.567 -1.061 302 HD2 PHE 49 HD2 PHE 49 9.998 -4.855 -5.110 303 HE1 PHE 49 HE1 PHE 49 6.432 -5.173 -1.737 304 HE2 PHE 49 HE2 PHE 49 7.714 -5.460 -5.793 305 HZ PHE 49 HZ PHE 49 5.927 -5.620 -4.106 306 HA PRO 50 HA PRO 50 15.863 -6.204 -2.355 307 HB2 PRO 50 HB2 PRO 50 15.466 -7.861 -4.781 308 HB3 PRO 50 HB1 PRO 50 16.463 -8.173 -3.356 309 HG2 PRO 50 HG2 PRO 50 14.186 -9.504 -3.752 310 HG3 PRO 50 HG1 PRO 50 14.684 -9.000 -2.127 311 HD2 PRO 50 HD2 PRO 50 12.638 -7.790 -3.945 312 HD3 PRO 50 HD1 PRO 50 12.587 -8.019 -2.184 313 H TRP 51 HN TRP 51 17.361 -5.084 -3.565 314 HA TRP 51 HA TRP 51 16.293 -3.647 -5.905 315 HB2 TRP 51 HB2 TRP 51 17.824 -2.772 -3.567 316 HB3 TRP 51 HB1 TRP 51 18.508 -2.217 -5.092 317 HD1 TRP 51 HD1 TRP 51 16.423 -0.874 -2.589 318 HE1 TRP 51 HE1 TRP 51 14.697 0.806 -3.499 319 HE3 TRP 51 HE3 TRP 51 16.625 -2.104 -7.548 320 HZ2 TRP 51 HZ2 TRP 51 13.572 1.516 -5.989 321 HZ3 TRP 51 HZ3 TRP 51 15.191 -0.878 -9.127 322 HH2 TRP 51 HH2 TRP 51 13.697 0.895 -8.362 323 H ILE 52 HN ILE 52 17.199 -4.048 -7.806 324 HA ILE 52 HA ILE 52 19.714 -5.552 -7.874 325 HB ILE 52 HB ILE 52 17.813 -5.080 -10.168 326 HG12 ILE 52 HG12 ILE 52 16.608 -6.246 -8.404 327 HG13 ILE 52 HG11 ILE 52 16.973 -7.367 -9.712 328 HG21 ILE 52 HG21 ILE 52 20.361 -5.923 -10.276 329 HG22 ILE 52 HG22 ILE 52 19.112 -6.453 -11.402 330 HG23 ILE 52 HG23 ILE 52 19.543 -7.465 -10.024 331 HD11 ILE 52 HD11 ILE 52 18.223 -7.189 -6.998 332 HD12 ILE 52 HD12 ILE 52 18.999 -8.050 -8.328 333 HD13 ILE 52 HD13 ILE 52 17.409 -8.557 -7.756 334 H TRP 53 HN TRP 53 21.481 -4.355 -8.111 335 HA TRP 53 HA TRP 53 21.580 -1.700 -8.942 336 HB2 TRP 53 HB2 TRP 53 23.969 -1.942 -9.001 337 HB3 TRP 53 HB1 TRP 53 23.364 -2.922 -7.671 338 HD1 TRP 53 HD1 TRP 53 22.819 -5.654 -8.716 339 HE1 TRP 53 HE1 TRP 53 24.568 -7.104 -9.924 340 HE3 TRP 53 HE3 TRP 53 26.030 -1.971 -10.225 341 HZ2 TRP 53 HZ2 TRP 53 26.988 -6.738 -11.331 342 HZ3 TRP 53 HZ3 TRP 53 28.037 -2.607 -11.497 343 HH2 TRP 53 HH2 TRP 53 28.506 -4.941 -12.038 344 H VAL 54 HN VAL 54 21.472 -0.742 -10.862 345 HA VAL 54 HA VAL 54 21.399 -2.402 -13.260 346 HB VAL 54 HB VAL 54 20.856 0.560 -13.049 347 HG11 VAL 54 HG11 VAL 54 19.668 0.253 -15.147 348 HG12 VAL 54 HG12 VAL 54 20.048 -1.470 -15.129 349 HG13 VAL 54 HG13 VAL 54 21.341 -0.285 -15.302 350 HG21 VAL 54 HG21 VAL 54 18.411 -0.384 -13.247 351 HG22 VAL 54 HG22 VAL 54 19.198 -0.231 -11.676 352 HG23 VAL 54 HG23 VAL 54 19.130 -1.800 -12.481 Start of MODEL 11 1 H1 SER 5 HT1 SER 5 -15.943 -12.930 -6.999 2 H2 SER 5 HT2 SER 5 -16.188 -12.768 -5.308 3 H3 SER 5 HT3 SER 5 -14.605 -12.997 -5.929 4 HA SER 5 HA SER 5 -16.291 -10.691 -6.607 5 HB2 SER 5 HB2 SER 5 -14.338 -11.122 -4.342 6 HB3 SER 5 HB1 SER 5 -14.786 -9.515 -4.915 7 HG SER 5 HG SER 5 -16.438 -11.486 -3.738 8 H GLN 6 HN GLN 6 -15.025 -8.958 -7.506 9 HA GLN 6 HA GLN 6 -13.090 -9.863 -9.378 10 HB2 GLN 6 HB2 GLN 6 -14.055 -7.118 -8.591 11 HB3 GLN 6 HB1 GLN 6 -12.828 -7.366 -9.826 12 HG2 GLN 6 HG2 GLN 6 -14.355 -7.846 -11.355 13 HG3 GLN 6 HG1 GLN 6 -15.113 -9.047 -10.311 14 HE21 GLN 6 HE21 GLN 6 -16.681 -8.295 -8.761 15 HE22 GLN 6 HE22 GLN 6 -17.621 -6.887 -9.108 16 H GLY 7 HN GLY 7 -10.972 -8.542 -9.628 17 HA2 GLY 7 HA2 GLY 7 -9.544 -7.334 -7.671 18 HA3 GLY 7 HA1 GLY 7 -9.431 -9.032 -7.234 19 H GLU 8 HN GLU 8 -8.567 -6.606 -9.595 20 HA GLU 8 HA GLU 8 -6.517 -8.446 -10.638 21 HB2 GLU 8 HB2 GLU 8 -8.289 -6.532 -12.143 22 HB3 GLU 8 HB1 GLU 8 -6.763 -7.095 -12.811 23 HG2 GLU 8 HG2 GLU 8 -8.143 -9.379 -11.922 24 HG3 GLU 8 HG1 GLU 8 -9.312 -8.381 -12.785 25 H CYS 9 HN CYS 9 -6.005 -6.811 -8.497 26 HA CYS 9 HA CYS 9 -4.380 -4.653 -9.674 27 HB2 CYS 9 HB2 CYS 9 -5.589 -4.827 -6.906 28 HB3 CYS 9 HB1 CYS 9 -4.526 -3.538 -7.460 29 HA PRO 10 HA PRO 10 -0.890 -6.979 -8.182 30 HB2 PRO 10 HB2 PRO 10 1.033 -5.127 -8.568 31 HB3 PRO 10 HB1 PRO 10 0.260 -5.973 -9.913 32 HG2 PRO 10 HG2 PRO 10 -0.286 -3.234 -8.832 33 HG3 PRO 10 HG1 PRO 10 -0.156 -3.765 -10.519 34 HD2 PRO 10 HD2 PRO 10 -2.538 -3.383 -9.258 35 HD3 PRO 10 HD1 PRO 10 -2.310 -4.563 -10.564 36 H GLU 11 HN GLU 11 1.296 -5.974 -6.873 37 HA GLU 11 HA GLU 11 0.307 -5.634 -4.237 38 HB2 GLU 11 HB2 GLU 11 2.522 -6.750 -5.121 39 HB3 GLU 11 HB1 GLU 11 3.167 -5.124 -4.943 40 HG2 GLU 11 HG2 GLU 11 1.718 -5.817 -2.585 41 HG3 GLU 11 HG1 GLU 11 2.856 -7.108 -2.970 42 H GLY 12 HN GLY 12 1.251 -3.887 -2.805 43 HA2 GLY 12 HA2 GLY 12 1.177 -1.661 -2.214 44 HA3 GLY 12 HA1 GLY 12 2.145 -1.418 -3.661 45 H ARG 13 HN ARG 13 -1.149 -2.635 -3.559 46 HA ARG 13 HA ARG 13 -1.980 -0.406 -5.253 47 HB2 ARG 13 HB2 ARG 13 -3.300 -1.871 -6.307 48 HB3 ARG 13 HB1 ARG 13 -2.421 -3.111 -5.427 49 HG2 ARG 13 HG2 ARG 13 -4.331 -2.327 -3.618 50 HG3 ARG 13 HG1 ARG 13 -5.176 -2.224 -5.162 51 HD2 ARG 13 HD2 ARG 13 -4.140 -4.573 -5.589 52 HD3 ARG 13 HD1 ARG 13 -3.928 -4.602 -3.841 53 HE ARG 13 HE ARG 13 -6.594 -3.919 -4.670 54 HH11 ARG 13 HH11 ARG 13 -4.405 -6.536 -3.939 55 HH12 ARG 13 HH12 ARG 13 -5.672 -7.656 -3.565 56 HH21 ARG 13 HH21 ARG 13 -8.260 -5.391 -4.183 57 HH22 ARG 13 HH22 ARG 13 -7.860 -7.008 -3.706 58 H ALA 14 HN ALA 14 -4.570 -0.098 -4.901 59 HA ALA 14 HA ALA 14 -5.248 0.035 -2.103 60 HB1 ALA 14 HB1 ALA 14 -4.479 2.140 -1.933 61 HB2 ALA 14 HB2 ALA 14 -5.989 2.548 -2.742 62 HB3 ALA 14 HB3 ALA 14 -4.500 2.399 -3.675 63 H TYR 15 HN TYR 15 -7.516 1.490 -2.144 64 HA TYR 15 HA TYR 15 -9.158 0.687 -4.406 65 HB2 TYR 15 HB2 TYR 15 -9.379 -1.287 -3.075 66 HB3 TYR 15 HB1 TYR 15 -9.585 -0.350 -1.600 67 HD1 TYR 15 HD2 TYR 15 -11.219 -1.267 -4.803 68 HD2 TYR 15 HD1 TYR 15 -11.724 0.376 -0.910 69 HE1 TYR 15 HE2 TYR 15 -13.658 -1.356 -5.087 70 HE2 TYR 15 HE1 TYR 15 -14.165 0.293 -1.185 71 HH TYR 15 HH TYR 15 -15.670 -1.412 -3.735 72 H SER 16 HN SER 16 -10.159 2.520 -4.930 73 HA SER 16 HA SER 16 -10.612 4.581 -2.967 74 HB2 SER 16 HB2 SER 16 -11.915 5.290 -5.368 75 HB3 SER 16 HB1 SER 16 -10.344 5.852 -4.793 76 HG SER 16 HG SER 16 -10.934 3.728 -6.556 77 H GLN 17 HN GLN 17 -12.244 4.303 -1.587 78 HA GLN 17 HA GLN 17 -14.587 2.839 -2.173 79 HB2 GLN 17 HB2 GLN 17 -13.616 4.504 0.081 80 HB3 GLN 17 HB1 GLN 17 -15.354 4.276 -0.037 81 HG2 GLN 17 HG2 GLN 17 -15.096 1.885 0.061 82 HG3 GLN 17 HG1 GLN 17 -13.340 2.042 0.033 83 HE21 GLN 17 HE21 GLN 17 -15.913 1.512 1.981 84 HE22 GLN 17 HE22 GLN 17 -15.251 2.023 3.494 85 H ASP 18 HN ASP 18 -13.700 6.181 -2.456 86 HA ASP 18 HA ASP 18 -16.255 7.324 -2.679 87 HB2 ASP 18 HB2 ASP 18 -13.639 8.248 -2.802 88 HB3 ASP 18 HB1 ASP 18 -14.266 8.571 -4.414 89 H LEU 19 HN LEU 19 -13.998 6.309 -5.238 90 HA LEU 19 HA LEU 19 -16.008 6.548 -7.264 91 HB2 LEU 19 HB2 LEU 19 -13.182 5.513 -7.293 92 HB3 LEU 19 HB1 LEU 19 -14.210 5.505 -8.714 93 HG LEU 19 HG LEU 19 -12.765 7.413 -8.829 94 HD11 LEU 19 HD11 LEU 19 -15.205 8.815 -7.964 95 HD12 LEU 19 HD12 LEU 19 -15.433 7.536 -9.157 96 HD13 LEU 19 HD13 LEU 19 -14.339 8.876 -9.500 97 HD21 LEU 19 HD21 LEU 19 -12.629 7.413 -6.188 98 HD22 LEU 19 HD22 LEU 19 -13.878 8.645 -6.366 99 HD23 LEU 19 HD23 LEU 19 -12.306 8.867 -7.133 100 H GLY 20 HN GLY 20 -14.854 4.100 -5.152 101 HA2 GLY 20 HA2 GLY 20 -15.667 1.984 -4.748 102 HA3 GLY 20 HA1 GLY 20 -16.901 2.281 -5.963 103 H LYS 21 HN LYS 21 -13.341 2.167 -6.152 104 HA LYS 21 HA LYS 21 -13.464 -0.257 -7.737 105 HB2 LYS 21 HB2 LYS 21 -12.053 2.061 -9.005 106 HB3 LYS 21 HB1 LYS 21 -12.644 0.581 -9.748 107 HG2 LYS 21 HG2 LYS 21 -14.964 1.397 -9.383 108 HG3 LYS 21 HG1 LYS 21 -14.286 2.921 -8.809 109 HD2 LYS 21 HD2 LYS 21 -13.700 1.743 -11.520 110 HD3 LYS 21 HD1 LYS 21 -14.985 2.914 -11.219 111 HE2 LYS 21 HE2 LYS 21 -13.452 4.598 -10.628 112 HE3 LYS 21 HE1 LYS 21 -12.131 3.445 -10.446 113 HZ1 LYS 21 HZ1 LYS 21 -12.775 3.068 -13.001 114 HZ2 LYS 21 HZ2 LYS 21 -11.605 4.178 -12.490 115 HZ3 LYS 21 HZ3 LYS 21 -13.172 4.706 -12.842 116 H CYS 22 HN CYS 22 -11.039 -0.532 -8.703 117 HA CYS 22 HA CYS 22 -9.221 0.001 -6.448 118 HB2 CYS 22 HB2 CYS 22 -9.845 -2.349 -6.443 119 HB3 CYS 22 HB1 CYS 22 -9.399 -2.499 -8.138 120 H MET 23 HN MET 23 -6.988 0.134 -6.956 121 HA MET 23 HA MET 23 -6.074 0.278 -9.663 122 HB2 MET 23 HB2 MET 23 -5.324 2.826 -8.907 123 HB3 MET 23 HB1 MET 23 -6.607 2.433 -10.034 124 HG2 MET 23 HG2 MET 23 -7.378 2.415 -7.212 125 HG3 MET 23 HG1 MET 23 -6.869 3.975 -7.846 126 HE1 MET 23 HE1 MET 23 -9.384 4.993 -10.377 127 HE2 MET 23 HE2 MET 23 -8.150 3.914 -11.028 128 HE3 MET 23 HE3 MET 23 -7.727 5.090 -9.785 129 H GLU 24 HN GLU 24 -3.818 1.950 -9.126 130 HA GLU 24 HA GLU 24 -2.471 0.289 -7.102 131 HB2 GLU 24 HB2 GLU 24 -0.728 -0.057 -8.476 132 HB3 GLU 24 HB1 GLU 24 -1.862 0.360 -9.744 133 HG2 GLU 24 HG2 GLU 24 -1.057 2.693 -9.591 134 HG3 GLU 24 HG1 GLU 24 0.167 2.136 -8.448 135 H CYS 25 HN CYS 25 -1.647 1.284 -5.402 136 HA CYS 25 HA CYS 25 -1.898 4.023 -4.940 137 HB2 CYS 25 HB2 CYS 25 -1.313 1.956 -3.342 138 HB3 CYS 25 HB1 CYS 25 0.318 2.567 -3.577 139 H SER 26 HN SER 26 0.574 2.162 -6.491 140 HA SER 26 HA SER 26 2.654 4.050 -6.461 141 HB2 SER 26 HB2 SER 26 2.698 2.609 -8.934 142 HB3 SER 26 HB1 SER 26 3.702 2.361 -7.505 143 HG SER 26 HG SER 26 2.516 0.703 -6.956 144 H VAL 27 HN VAL 27 -0.371 3.937 -8.111 145 HA VAL 27 HA VAL 27 0.237 5.459 -10.394 146 HB VAL 27 HB VAL 27 -2.003 4.273 -9.601 147 HG11 VAL 27 HG11 VAL 27 -2.485 5.853 -7.802 148 HG12 VAL 27 HG12 VAL 27 -3.748 5.858 -9.031 149 HG13 VAL 27 HG13 VAL 27 -2.565 7.164 -8.979 150 HG21 VAL 27 HG21 VAL 27 -1.491 6.434 -11.560 151 HG22 VAL 27 HG22 VAL 27 -3.164 5.941 -11.297 152 HG23 VAL 27 HG23 VAL 27 -1.968 4.756 -11.821 153 H CYS 28 HN CYS 28 -0.735 6.423 -7.181 154 HA CYS 28 HA CYS 28 -0.403 9.227 -7.810 155 HB2 CYS 28 HB2 CYS 28 -1.298 9.656 -5.584 156 HB3 CYS 28 HB1 CYS 28 -2.335 8.531 -6.453 157 H LYS 29 HN LYS 29 0.975 10.622 -6.565 158 HA LYS 29 HA LYS 29 3.272 9.227 -5.358 159 HB2 LYS 29 HB2 LYS 29 4.739 10.958 -6.274 160 HB3 LYS 29 HB1 LYS 29 3.872 10.123 -7.555 161 HG2 LYS 29 HG2 LYS 29 2.300 11.984 -7.713 162 HG3 LYS 29 HG1 LYS 29 3.165 12.822 -6.423 163 HD2 LYS 29 HD2 LYS 29 5.222 12.399 -8.045 164 HD3 LYS 29 HD1 LYS 29 3.938 12.372 -9.256 165 HE2 LYS 29 HE2 LYS 29 4.503 14.591 -7.294 166 HE3 LYS 29 HE1 LYS 29 4.847 14.615 -9.022 167 HZ1 LYS 29 HZ1 LYS 29 2.322 14.965 -7.629 168 HZ2 LYS 29 HZ2 LYS 29 2.252 14.060 -9.056 169 HZ3 LYS 29 HZ3 LYS 29 2.859 15.639 -9.084 170 H ASN 30 HN ASN 30 1.391 12.225 -5.456 171 HA ASN 30 HA ASN 30 1.595 12.508 -2.603 172 HB2 ASN 30 HB2 ASN 30 3.374 14.011 -4.369 173 HB3 ASN 30 HB1 ASN 30 2.412 15.053 -3.323 174 HD21 ASN 30 HD21 ASN 30 4.490 15.600 -2.397 175 HD22 ASN 30 HD22 ASN 30 5.163 14.584 -1.172 176 H SER 31 HN SER 31 0.869 14.313 -5.587 177 HA SER 31 HA SER 31 -1.674 15.148 -4.352 178 HB2 SER 31 HB2 SER 31 0.308 16.603 -6.001 179 HB3 SER 31 HB1 SER 31 -1.383 16.903 -6.398 180 HG SER 31 HG SER 31 -1.670 17.330 -4.103 181 H GLU 32 HN GLU 32 -2.839 13.349 -5.047 182 HA GLU 32 HA GLU 32 -3.301 13.236 -7.955 183 HB2 GLU 32 HB2 GLU 32 -2.057 11.253 -6.864 184 HB3 GLU 32 HB1 GLU 32 -3.613 10.847 -6.156 185 HG2 GLU 32 HG2 GLU 32 -3.355 9.549 -8.122 186 HG3 GLU 32 HG1 GLU 32 -4.563 10.787 -8.458 187 H LYS 33 HN LYS 33 -5.443 12.560 -8.599 188 HA LYS 33 HA LYS 33 -7.469 13.613 -6.800 189 HB2 LYS 33 HB2 LYS 33 -7.721 12.629 -9.649 190 HB3 LYS 33 HB1 LYS 33 -8.962 13.479 -8.739 191 HG2 LYS 33 HG2 LYS 33 -7.219 15.359 -8.527 192 HG3 LYS 33 HG1 LYS 33 -6.388 14.529 -9.844 193 HD2 LYS 33 HD2 LYS 33 -7.935 15.137 -11.373 194 HD3 LYS 33 HD1 LYS 33 -9.275 14.955 -10.238 195 HE2 LYS 33 HE2 LYS 33 -8.835 17.303 -11.034 196 HE3 LYS 33 HE1 LYS 33 -8.873 17.086 -9.284 197 HZ1 LYS 33 HZ1 LYS 33 -6.517 17.171 -9.189 198 HZ2 LYS 33 HZ2 LYS 33 -7.014 18.488 -10.126 199 HZ3 LYS 33 HZ3 LYS 33 -6.369 17.116 -10.873 200 H SER 34 HN SER 34 -6.592 11.400 -5.639 201 HA SER 34 HA SER 34 -8.883 9.637 -5.784 202 HB2 SER 34 HB2 SER 34 -6.089 8.713 -6.433 203 HB3 SER 34 HB1 SER 34 -7.332 7.603 -5.857 204 HG SER 34 HG SER 34 -8.626 8.460 -7.665 205 H ASP 35 HN ASP 35 -9.499 9.177 -3.789 206 HA ASP 35 HA ASP 35 -7.634 9.616 -1.582 207 HB2 ASP 35 HB2 ASP 35 -10.623 9.120 -1.565 208 HB3 ASP 35 HB1 ASP 35 -9.644 9.504 -0.153 209 H PHE 36 HN PHE 36 -7.493 7.256 -3.345 210 HA PHE 36 HA PHE 36 -8.237 5.094 -1.530 211 HB2 PHE 36 HB2 PHE 36 -8.322 3.699 -3.355 212 HB3 PHE 36 HB1 PHE 36 -8.705 5.225 -4.130 213 HD1 PHE 36 HD2 PHE 36 -6.232 6.539 -4.582 214 HD2 PHE 36 HD1 PHE 36 -7.101 2.383 -4.722 215 HE1 PHE 36 HE2 PHE 36 -4.324 6.192 -6.099 216 HE2 PHE 36 HE1 PHE 36 -5.198 2.026 -6.227 217 HZ PHE 36 HZ PHE 36 -3.809 3.925 -6.918 218 H CYS 37 HN CYS 37 -5.470 6.814 -2.581 219 HA CYS 37 HA CYS 37 -3.533 4.831 -2.220 220 HB2 CYS 37 HB2 CYS 37 -3.192 7.754 -1.542 221 HB3 CYS 37 HB1 CYS 37 -1.930 6.616 -2.004 222 H GLN 38 HN GLN 38 -5.750 5.744 -0.012 223 HA GLN 38 HA GLN 38 -3.974 5.601 2.292 224 HB2 GLN 38 HB2 GLN 38 -6.860 5.585 2.795 225 HB3 GLN 38 HB1 GLN 38 -5.617 6.637 3.456 226 HG2 GLN 38 HG2 GLN 38 -5.669 7.934 1.350 227 HG3 GLN 38 HG1 GLN 38 -6.999 6.914 0.802 228 HE21 GLN 38 HE21 GLN 38 -7.278 9.638 0.974 229 HE22 GLN 38 HE22 GLN 38 -8.375 10.030 2.249 230 H ASN 39 HN ASN 39 -5.709 3.578 0.251 231 HA ASN 39 HA ASN 39 -6.336 1.565 2.236 232 HB2 ASN 39 HB2 ASN 39 -7.427 2.111 -0.168 233 HB3 ASN 39 HB1 ASN 39 -6.308 0.835 -0.633 234 HD21 ASN 39 HD21 ASN 39 -7.297 -1.033 -0.750 235 HD22 ASN 39 HD22 ASN 39 -8.512 -1.619 0.329 236 H CYS 40 HN CYS 40 -3.936 2.141 -0.218 237 HA CYS 40 HA CYS 40 -2.625 -0.321 -0.175 238 HB2 CYS 40 HB2 CYS 40 -0.853 0.761 -1.332 239 HB3 CYS 40 HB1 CYS 40 -2.334 1.565 -1.837 240 HA PRO 41 HA PRO 41 -0.626 -0.281 3.776 241 HB2 PRO 41 HB2 PRO 41 1.282 -2.144 3.335 242 HB3 PRO 41 HB1 PRO 41 -0.428 -2.560 3.505 243 HG2 PRO 41 HG2 PRO 41 1.205 -2.239 1.016 244 HG3 PRO 41 HG1 PRO 41 0.018 -3.493 1.420 245 HD2 PRO 41 HD2 PRO 41 -0.563 -1.374 -0.174 246 HD3 PRO 41 HD1 PRO 41 -1.771 -2.155 0.867 247 H SER 42 HN SER 42 0.306 1.768 3.874 248 HA SER 42 HA SER 42 2.772 2.330 2.480 249 HB2 SER 42 HB2 SER 42 0.764 3.933 3.333 250 HB3 SER 42 HB1 SER 42 1.902 4.130 4.665 251 HG SER 42 HG SER 42 3.495 4.526 2.908 252 H LYS 43 HN LYS 43 1.765 1.327 5.663 253 HA LYS 43 HA LYS 43 4.590 1.296 6.506 254 HB2 LYS 43 HB2 LYS 43 2.136 2.153 7.910 255 HB3 LYS 43 HB1 LYS 43 3.249 1.180 8.862 256 HG2 LYS 43 HG2 LYS 43 5.038 2.754 8.443 257 HG3 LYS 43 HG1 LYS 43 3.981 3.707 7.398 258 HD2 LYS 43 HD2 LYS 43 2.584 4.309 9.233 259 HD3 LYS 43 HD1 LYS 43 3.387 3.155 10.300 260 HE2 LYS 43 HE2 LYS 43 5.518 4.537 9.756 261 HE3 LYS 43 HE1 LYS 43 4.373 5.783 9.261 262 HZ1 LYS 43 HZ1 LYS 43 3.898 4.543 11.851 263 HZ2 LYS 43 HZ2 LYS 43 3.729 6.158 11.376 264 HZ3 LYS 43 HZ3 LYS 43 5.260 5.539 11.741 265 H THR 44 HN THR 44 4.573 -0.290 8.637 266 HA THR 44 HA THR 44 3.473 -2.838 7.645 267 HB THR 44 HB THR 44 5.424 -3.844 8.987 268 HG1 THR 44 HG1 THR 44 6.020 -1.942 10.077 269 HG21 THR 44 HG21 THR 44 6.265 -2.190 6.627 270 HG22 THR 44 HG22 THR 44 5.346 -3.690 6.489 271 HG23 THR 44 HG23 THR 44 6.960 -3.707 7.198 272 H GLU 45 HN GLU 45 1.557 -2.643 8.843 273 HA GLU 45 HA GLU 45 0.193 -2.994 10.629 274 HB2 GLU 45 HB2 GLU 45 2.233 -4.775 10.936 275 HB3 GLU 45 HB1 GLU 45 2.322 -3.896 12.457 276 HG2 GLU 45 HG2 GLU 45 0.724 -5.223 13.216 277 HG3 GLU 45 HG1 GLU 45 -0.384 -4.414 12.108 278 H GLN 46 HN GLN 46 -0.598 -1.296 11.663 279 HA GLN 46 HA GLN 46 0.895 0.880 12.567 280 HB2 GLN 46 HB2 GLN 46 -1.875 0.088 12.531 281 HB3 GLN 46 HB1 GLN 46 -1.486 0.857 14.063 282 HG2 GLN 46 HG2 GLN 46 -1.880 2.770 13.000 283 HG3 GLN 46 HG1 GLN 46 -0.294 2.532 12.267 284 HE21 GLN 46 HE21 GLN 46 -2.535 3.948 11.168 285 HE22 GLN 46 HE22 GLN 46 -2.962 3.153 9.695 286 HA PRO 47 HA PRO 47 0.360 -0.736 17.092 287 HB2 PRO 47 HB2 PRO 47 -0.488 -3.317 17.374 288 HB3 PRO 47 HB1 PRO 47 -1.577 -1.926 17.378 289 HG2 PRO 47 HG2 PRO 47 -0.922 -3.813 15.149 290 HG3 PRO 47 HG1 PRO 47 -2.494 -3.140 15.624 291 HD2 PRO 47 HD2 PRO 47 -1.083 -2.163 13.540 292 HD3 PRO 47 HD1 PRO 47 -2.090 -1.124 14.566 293 H ASP 48 HN ASP 48 2.651 -0.631 16.615 294 HA ASP 48 HA ASP 48 3.975 -3.119 17.204 295 HB2 ASP 48 HB2 ASP 48 3.661 -2.623 14.544 296 HB3 ASP 48 HB1 ASP 48 5.209 -1.840 14.848 297 H PHE 49 HN PHE 49 3.754 -0.852 18.719 298 HA PHE 49 HA PHE 49 4.883 0.837 19.769 299 HB2 PHE 49 HB2 PHE 49 7.284 0.167 20.330 300 HB3 PHE 49 HB1 PHE 49 6.012 -0.943 20.827 301 HD1 PHE 49 HD1 PHE 49 5.716 -3.080 19.696 302 HD2 PHE 49 HD2 PHE 49 8.877 -0.434 18.643 303 HE1 PHE 49 HE1 PHE 49 6.850 -4.913 18.508 304 HE2 PHE 49 HE2 PHE 49 10.016 -2.261 17.451 305 HZ PHE 49 HZ PHE 49 9.001 -4.504 17.384 306 HA PRO 50 HA PRO 50 6.781 2.500 15.800 307 HB2 PRO 50 HB2 PRO 50 5.009 4.513 15.411 308 HB3 PRO 50 HB1 PRO 50 4.756 2.883 14.779 309 HG2 PRO 50 HG2 PRO 50 3.616 4.159 17.236 310 HG3 PRO 50 HG1 PRO 50 2.809 3.145 16.025 311 HD2 PRO 50 HD2 PRO 50 3.642 2.184 18.419 312 HD3 PRO 50 HD1 PRO 50 3.608 1.190 16.948 313 H TRP 51 HN TRP 51 8.467 3.778 16.187 314 HA TRP 51 HA TRP 51 8.136 6.036 18.038 315 HB2 TRP 51 HB2 TRP 51 9.606 3.878 18.652 316 HB3 TRP 51 HB1 TRP 51 10.809 4.812 17.775 317 HD1 TRP 51 HD1 TRP 51 10.997 7.507 18.760 318 HE1 TRP 51 HE1 TRP 51 11.129 8.226 21.228 319 HE3 TRP 51 HE3 TRP 51 9.045 3.312 20.935 320 HZ2 TRP 51 HZ2 TRP 51 10.490 7.157 23.761 321 HZ3 TRP 51 HZ3 TRP 51 8.840 3.241 23.386 322 HH2 TRP 51 HH2 TRP 51 9.549 5.125 24.768 323 H ILE 52 HN ILE 52 8.121 5.655 15.102 324 HA ILE 52 HA ILE 52 10.432 7.077 14.126 325 HB ILE 52 HB ILE 52 7.892 6.483 12.613 326 HG12 ILE 52 HG12 ILE 52 8.771 4.400 13.530 327 HG13 ILE 52 HG11 ILE 52 9.054 4.461 11.792 328 HG21 ILE 52 HG21 ILE 52 10.643 7.372 11.864 329 HG22 ILE 52 HG22 ILE 52 9.079 7.980 11.320 330 HG23 ILE 52 HG23 ILE 52 9.680 6.433 10.723 331 HD11 ILE 52 HD11 ILE 52 11.360 5.519 12.730 332 HD12 ILE 52 HD12 ILE 52 11.118 3.814 12.353 333 HD13 ILE 52 HD13 ILE 52 10.956 4.382 14.015 334 H TRP 53 HN TRP 53 10.197 8.993 15.443 335 HA TRP 53 HA TRP 53 8.123 10.831 14.439 336 HB2 TRP 53 HB2 TRP 53 9.150 10.305 17.154 337 HB3 TRP 53 HB1 TRP 53 8.966 12.007 16.747 338 HD1 TRP 53 HD1 TRP 53 6.750 8.823 16.403 339 HE1 TRP 53 HE1 TRP 53 4.345 9.472 17.049 340 HE3 TRP 53 HE3 TRP 53 7.483 13.788 17.383 341 HZ2 TRP 53 HZ2 TRP 53 2.944 11.782 17.866 342 HZ3 TRP 53 HZ3 TRP 53 5.558 15.147 18.092 343 HH2 TRP 53 HH2 TRP 53 3.335 14.164 18.327 344 H VAL 54 HN VAL 54 9.529 11.374 12.671 345 HA VAL 54 HA VAL 54 12.056 12.662 13.266 346 HB VAL 54 HB VAL 54 10.649 12.509 10.599 347 HG11 VAL 54 HG11 VAL 54 12.559 14.148 10.978 348 HG12 VAL 54 HG12 VAL 54 12.725 13.025 9.627 349 HG13 VAL 54 HG13 VAL 54 13.597 12.730 11.131 350 HG21 VAL 54 HG21 VAL 54 12.412 10.531 12.003 351 HG22 VAL 54 HG22 VAL 54 12.318 10.588 10.243 352 HG23 VAL 54 HG23 VAL 54 10.869 10.262 11.194 Start of MODEL 12 1 H1 SER 5 HT1 SER 5 -3.649 -7.835 -13.197 2 H2 SER 5 HT2 SER 5 -5.304 -8.204 -12.933 3 H3 SER 5 HT3 SER 5 -4.237 -9.411 -13.525 4 HA SER 5 HA SER 5 -3.065 -9.482 -11.520 5 HB2 SER 5 HB2 SER 5 -4.924 -7.405 -10.380 6 HB3 SER 5 HB1 SER 5 -3.357 -7.937 -9.771 7 HG SER 5 HG SER 5 -2.424 -6.936 -11.639 8 H GLN 6 HN GLN 6 -4.058 -11.508 -11.624 9 HA GLN 6 HA GLN 6 -6.798 -11.940 -11.017 10 HB2 GLN 6 HB2 GLN 6 -4.495 -13.895 -10.893 11 HB3 GLN 6 HB1 GLN 6 -6.203 -14.312 -10.924 12 HG2 GLN 6 HG2 GLN 6 -6.215 -14.281 -13.132 13 HG3 GLN 6 HG1 GLN 6 -5.609 -12.625 -13.149 14 HE21 GLN 6 HE21 GLN 6 -4.209 -15.741 -12.183 15 HE22 GLN 6 HE22 GLN 6 -2.810 -15.618 -13.188 16 H GLY 7 HN GLY 7 -7.794 -12.011 -9.111 17 HA2 GLY 7 HA2 GLY 7 -7.654 -13.076 -6.836 18 HA3 GLY 7 HA1 GLY 7 -6.114 -12.243 -6.690 19 H GLU 8 HN GLU 8 -6.211 -10.497 -5.463 20 HA GLU 8 HA GLU 8 -8.519 -8.711 -5.703 21 HB2 GLU 8 HB2 GLU 8 -7.501 -9.960 -3.162 22 HB3 GLU 8 HB1 GLU 8 -8.391 -8.443 -3.149 23 HG2 GLU 8 HG2 GLU 8 -10.265 -9.581 -4.289 24 HG3 GLU 8 HG1 GLU 8 -9.377 -11.098 -4.164 25 H CYS 9 HN CYS 9 -6.158 -8.207 -6.910 26 HA CYS 9 HA CYS 9 -4.571 -6.604 -7.171 27 HB2 CYS 9 HB2 CYS 9 -5.805 -5.221 -4.787 28 HB3 CYS 9 HB1 CYS 9 -4.879 -4.488 -6.093 29 HA PRO 10 HA PRO 10 -1.566 -8.193 -4.228 30 HB2 PRO 10 HB2 PRO 10 0.649 -7.355 -5.543 31 HB3 PRO 10 HB1 PRO 10 -0.294 -8.754 -6.068 32 HG2 PRO 10 HG2 PRO 10 -0.334 -5.946 -7.104 33 HG3 PRO 10 HG1 PRO 10 -0.345 -7.472 -8.008 34 HD2 PRO 10 HD2 PRO 10 -2.588 -6.013 -7.551 35 HD3 PRO 10 HD1 PRO 10 -2.604 -7.782 -7.698 36 H GLU 11 HN GLU 11 0.822 -6.939 -3.682 37 HA GLU 11 HA GLU 11 0.079 -4.945 -1.863 38 HB2 GLU 11 HB2 GLU 11 2.247 -6.471 -2.081 39 HB3 GLU 11 HB1 GLU 11 2.881 -5.041 -2.884 40 HG2 GLU 11 HG2 GLU 11 2.885 -3.796 -0.981 41 HG3 GLU 11 HG1 GLU 11 1.529 -4.671 -0.272 42 H GLY 12 HN GLY 12 1.396 -2.776 -1.885 43 HA2 GLY 12 HA2 GLY 12 1.392 -0.637 -2.746 44 HA3 GLY 12 HA1 GLY 12 2.036 -1.400 -4.194 45 H ARG 13 HN ARG 13 -1.130 -1.844 -2.710 46 HA ARG 13 HA ARG 13 -2.366 -0.805 -5.176 47 HB2 ARG 13 HB2 ARG 13 -3.840 -2.531 -5.209 48 HB3 ARG 13 HB1 ARG 13 -2.502 -3.334 -4.396 49 HG2 ARG 13 HG2 ARG 13 -3.779 -2.230 -2.293 50 HG3 ARG 13 HG1 ARG 13 -5.133 -2.544 -3.377 51 HD2 ARG 13 HD2 ARG 13 -5.055 -4.556 -2.306 52 HD3 ARG 13 HD1 ARG 13 -3.918 -4.889 -3.611 53 HE ARG 13 HE ARG 13 -2.283 -3.965 -1.721 54 HH11 ARG 13 HH11 ARG 13 -4.856 -6.321 -1.543 55 HH12 ARG 13 HH12 ARG 13 -4.124 -7.202 -0.247 56 HH21 ARG 13 HH21 ARG 13 -1.322 -5.126 -0.019 57 HH22 ARG 13 HH22 ARG 13 -2.119 -6.525 0.621 58 H ALA 14 HN ALA 14 -4.880 -0.609 -4.614 59 HA ALA 14 HA ALA 14 -5.780 0.252 -2.154 60 HB1 ALA 14 HB1 ALA 14 -5.977 2.803 -2.979 61 HB2 ALA 14 HB2 ALA 14 -4.402 2.381 -3.664 62 HB3 ALA 14 HB3 ALA 14 -4.683 2.211 -1.930 63 H TYR 15 HN TYR 15 -7.955 0.953 -2.210 64 HA TYR 15 HA TYR 15 -9.221 0.742 -4.859 65 HB2 TYR 15 HB2 TYR 15 -9.695 -1.260 -3.553 66 HB3 TYR 15 HB1 TYR 15 -10.238 -0.279 -2.196 67 HD1 TYR 15 HD1 TYR 15 -11.067 -1.418 -5.601 68 HD2 TYR 15 HD2 TYR 15 -12.442 0.662 -2.154 69 HE1 TYR 15 HE1 TYR 15 -13.362 -1.484 -6.484 70 HE2 TYR 15 HE2 TYR 15 -14.740 0.602 -3.026 71 HH TYR 15 HH TYR 15 -15.877 -1.325 -5.080 72 H SER 16 HN SER 16 -10.474 2.407 -5.442 73 HA SER 16 HA SER 16 -10.987 4.476 -3.431 74 HB2 SER 16 HB2 SER 16 -11.741 5.419 -5.987 75 HB3 SER 16 HB1 SER 16 -10.317 5.871 -5.049 76 HG SER 16 HG SER 16 -10.569 3.951 -7.091 77 H GLN 17 HN GLN 17 -12.837 3.955 -2.405 78 HA GLN 17 HA GLN 17 -15.053 2.663 -3.466 79 HB2 GLN 17 HB2 GLN 17 -14.797 4.593 -1.168 80 HB3 GLN 17 HB1 GLN 17 -16.307 3.779 -1.554 81 HG2 GLN 17 HG2 GLN 17 -15.642 1.866 -0.629 82 HG3 GLN 17 HG1 GLN 17 -14.043 1.960 -1.365 83 HE21 GLN 17 HE21 GLN 17 -13.649 1.003 0.871 84 HE22 GLN 17 HE22 GLN 17 -13.251 2.128 2.120 85 H ASP 18 HN ASP 18 -14.044 5.932 -3.825 86 HA ASP 18 HA ASP 18 -16.502 7.157 -4.407 87 HB2 ASP 18 HB2 ASP 18 -13.665 7.772 -5.218 88 HB3 ASP 18 HB1 ASP 18 -15.015 8.760 -5.769 89 H LEU 19 HN LEU 19 -14.031 5.877 -6.633 90 HA LEU 19 HA LEU 19 -15.826 6.044 -8.864 91 HB2 LEU 19 HB2 LEU 19 -13.142 4.689 -8.775 92 HB3 LEU 19 HB1 LEU 19 -14.003 5.249 -10.196 93 HG LEU 19 HG LEU 19 -13.731 7.560 -8.731 94 HD11 LEU 19 HD11 LEU 19 -11.089 7.355 -8.440 95 HD12 LEU 19 HD12 LEU 19 -11.538 5.693 -8.056 96 HD13 LEU 19 HD13 LEU 19 -12.221 7.027 -7.128 97 HD21 LEU 19 HD21 LEU 19 -12.414 6.334 -11.074 98 HD22 LEU 19 HD22 LEU 19 -11.619 7.739 -10.367 99 HD23 LEU 19 HD23 LEU 19 -13.286 7.860 -10.929 100 H GLY 20 HN GLY 20 -14.880 3.683 -6.548 101 HA2 GLY 20 HA2 GLY 20 -15.791 1.606 -6.118 102 HA3 GLY 20 HA1 GLY 20 -16.878 1.851 -7.476 103 H LYS 21 HN LYS 21 -13.332 1.612 -7.159 104 HA LYS 21 HA LYS 21 -13.238 -0.894 -8.538 105 HB2 LYS 21 HB2 LYS 21 -12.019 -0.098 -10.524 106 HB3 LYS 21 HB1 LYS 21 -13.657 0.534 -10.465 107 HG2 LYS 21 HG2 LYS 21 -12.973 2.671 -10.219 108 HG3 LYS 21 HG1 LYS 21 -11.564 2.224 -9.256 109 HD2 LYS 21 HD2 LYS 21 -10.744 3.075 -11.317 110 HD3 LYS 21 HD1 LYS 21 -10.539 1.324 -11.372 111 HE2 LYS 21 HE2 LYS 21 -13.054 1.680 -12.421 112 HE3 LYS 21 HE1 LYS 21 -12.173 3.075 -13.039 113 HZ1 LYS 21 HZ1 LYS 21 -10.871 0.466 -13.219 114 HZ2 LYS 21 HZ2 LYS 21 -10.805 1.780 -14.279 115 HZ3 LYS 21 HZ3 LYS 21 -12.159 0.766 -14.274 116 H CYS 22 HN CYS 22 -11.140 -1.807 -8.567 117 HA CYS 22 HA CYS 22 -9.374 -0.627 -6.578 118 HB2 CYS 22 HB2 CYS 22 -9.958 -3.020 -6.407 119 HB3 CYS 22 HB1 CYS 22 -9.213 -3.309 -7.975 120 H MET 23 HN MET 23 -7.147 -0.344 -6.902 121 HA MET 23 HA MET 23 -6.054 -0.460 -9.578 122 HB2 MET 23 HB2 MET 23 -5.291 2.090 -9.010 123 HB3 MET 23 HB1 MET 23 -6.642 1.672 -10.045 124 HG2 MET 23 HG2 MET 23 -7.282 1.833 -7.197 125 HG3 MET 23 HG1 MET 23 -6.747 3.343 -7.926 126 HE1 MET 23 HE1 MET 23 -7.871 4.648 -9.617 127 HE2 MET 23 HE2 MET 23 -9.418 4.309 -10.394 128 HE3 MET 23 HE3 MET 23 -7.968 3.436 -10.895 129 H GLU 24 HN GLU 24 -3.785 1.160 -9.071 130 HA GLU 24 HA GLU 24 -2.562 -0.387 -6.886 131 HB2 GLU 24 HB2 GLU 24 -0.645 -0.686 -8.093 132 HB3 GLU 24 HB1 GLU 24 -1.820 -0.674 -9.396 133 HG2 GLU 24 HG2 GLU 24 -1.299 1.743 -9.697 134 HG3 GLU 24 HG1 GLU 24 -0.004 1.537 -8.522 135 H CYS 25 HN CYS 25 -1.462 0.632 -5.312 136 HA CYS 25 HA CYS 25 -1.746 3.365 -4.867 137 HB2 CYS 25 HB2 CYS 25 -0.629 1.170 -3.494 138 HB3 CYS 25 HB1 CYS 25 0.661 2.360 -3.619 139 H SER 26 HN SER 26 0.641 1.521 -6.600 140 HA SER 26 HA SER 26 2.689 3.376 -6.844 141 HB2 SER 26 HB2 SER 26 2.110 0.911 -7.979 142 HB3 SER 26 HB1 SER 26 2.092 2.004 -9.363 143 HG SER 26 HG SER 26 4.193 0.989 -8.194 144 H VAL 27 HN VAL 27 -0.529 3.296 -8.175 145 HA VAL 27 HA VAL 27 -0.246 5.077 -10.324 146 HB VAL 27 HB VAL 27 -2.557 4.590 -8.455 147 HG11 VAL 27 HG11 VAL 27 -3.168 6.710 -9.036 148 HG12 VAL 27 HG12 VAL 27 -3.818 5.831 -10.421 149 HG13 VAL 27 HG13 VAL 27 -2.272 6.672 -10.553 150 HG21 VAL 27 HG21 VAL 27 -2.930 2.878 -9.818 151 HG22 VAL 27 HG22 VAL 27 -1.569 3.351 -10.834 152 HG23 VAL 27 HG23 VAL 27 -3.172 4.014 -11.144 153 H CYS 28 HN CYS 28 -0.286 5.640 -6.905 154 HA CYS 28 HA CYS 28 -0.715 8.448 -6.997 155 HB2 CYS 28 HB2 CYS 28 0.275 6.549 -4.891 156 HB3 CYS 28 HB1 CYS 28 0.333 8.286 -4.626 157 H LYS 29 HN LYS 29 0.678 9.706 -8.100 158 HA LYS 29 HA LYS 29 3.211 10.307 -7.160 159 HB2 LYS 29 HB2 LYS 29 3.241 7.891 -8.618 160 HB3 LYS 29 HB1 LYS 29 3.977 9.103 -9.659 161 HG2 LYS 29 HG2 LYS 29 5.456 9.713 -7.717 162 HG3 LYS 29 HG1 LYS 29 4.832 8.279 -6.898 163 HD2 LYS 29 HD2 LYS 29 5.524 7.186 -9.248 164 HD3 LYS 29 HD1 LYS 29 6.690 8.509 -9.187 165 HE2 LYS 29 HE2 LYS 29 7.133 7.678 -6.775 166 HE3 LYS 29 HE1 LYS 29 6.353 6.193 -7.318 167 HZ1 LYS 29 HZ1 LYS 29 8.006 6.249 -9.212 168 HZ2 LYS 29 HZ2 LYS 29 8.629 5.882 -7.684 169 HZ3 LYS 29 HZ3 LYS 29 8.843 7.428 -8.333 170 H ASN 30 HN ASN 30 1.156 10.069 -10.010 171 HA ASN 30 HA ASN 30 2.381 12.408 -11.217 172 HB2 ASN 30 HB2 ASN 30 1.213 10.218 -12.311 173 HB3 ASN 30 HB1 ASN 30 -0.133 11.352 -12.357 174 HD21 ASN 30 HD21 ASN 30 -0.086 11.439 -14.599 175 HD22 ASN 30 HD22 ASN 30 1.147 12.289 -15.459 176 H SER 31 HN SER 31 -1.039 11.594 -10.608 177 HA SER 31 HA SER 31 -1.592 14.426 -10.189 178 HB2 SER 31 HB2 SER 31 -3.976 13.725 -10.262 179 HB3 SER 31 HB1 SER 31 -3.081 13.241 -11.703 180 HG SER 31 HG SER 31 -4.519 11.675 -10.327 181 H GLU 32 HN GLU 32 -3.006 15.087 -8.403 182 HA GLU 32 HA GLU 32 -2.394 13.558 -5.964 183 HB2 GLU 32 HB2 GLU 32 -1.674 16.104 -6.477 184 HB3 GLU 32 HB1 GLU 32 -3.251 16.388 -5.750 185 HG2 GLU 32 HG2 GLU 32 -2.075 16.403 -3.844 186 HG3 GLU 32 HG1 GLU 32 -2.229 14.651 -3.975 187 H LYS 33 HN LYS 33 -4.182 14.929 -4.260 188 HA LYS 33 HA LYS 33 -6.308 14.779 -3.470 189 HB2 LYS 33 HB2 LYS 33 -7.026 14.991 -6.401 190 HB3 LYS 33 HB1 LYS 33 -8.146 15.203 -5.062 191 HG2 LYS 33 HG2 LYS 33 -6.789 17.122 -4.287 192 HG3 LYS 33 HG1 LYS 33 -5.780 16.942 -5.724 193 HD2 LYS 33 HD2 LYS 33 -8.174 17.034 -6.904 194 HD3 LYS 33 HD1 LYS 33 -8.546 17.969 -5.455 195 HE2 LYS 33 HE2 LYS 33 -6.238 19.131 -6.114 196 HE3 LYS 33 HE1 LYS 33 -6.740 18.599 -7.719 197 HZ1 LYS 33 HZ1 LYS 33 -7.474 20.908 -6.755 198 HZ2 LYS 33 HZ2 LYS 33 -8.704 19.985 -6.048 199 HZ3 LYS 33 HZ3 LYS 33 -8.517 19.997 -7.729 200 H SER 34 HN SER 34 -4.889 12.390 -3.919 201 HA SER 34 HA SER 34 -6.599 10.452 -5.160 202 HB2 SER 34 HB2 SER 34 -4.997 8.802 -4.165 203 HB3 SER 34 HB1 SER 34 -4.220 10.044 -5.146 204 HG SER 34 HG SER 34 -4.494 10.287 -2.342 205 H ASP 35 HN ASP 35 -8.370 9.613 -4.312 206 HA ASP 35 HA ASP 35 -8.820 9.803 -1.430 207 HB2 ASP 35 HB2 ASP 35 -10.543 9.649 -3.826 208 HB3 ASP 35 HB1 ASP 35 -11.138 8.788 -2.411 209 H PHE 36 HN PHE 36 -7.627 7.594 -3.611 210 HA PHE 36 HA PHE 36 -8.583 5.280 -2.087 211 HB2 PHE 36 HB2 PHE 36 -8.661 4.140 -4.030 212 HB3 PHE 36 HB1 PHE 36 -8.499 5.706 -4.809 213 HD1 PHE 36 HD2 PHE 36 -5.739 6.413 -4.500 214 HD2 PHE 36 HD1 PHE 36 -7.486 2.608 -5.202 215 HE1 PHE 36 HE2 PHE 36 -3.638 5.645 -5.526 216 HE2 PHE 36 HE1 PHE 36 -5.390 1.826 -6.225 217 HZ PHE 36 HZ PHE 36 -3.471 3.345 -6.380 218 H CYS 37 HN CYS 37 -5.827 7.212 -2.601 219 HA CYS 37 HA CYS 37 -3.880 5.250 -2.005 220 HB2 CYS 37 HB2 CYS 37 -3.863 7.984 -2.632 221 HB3 CYS 37 HB1 CYS 37 -3.151 7.881 -1.027 222 H GLN 38 HN GLN 38 -6.421 6.211 -0.205 223 HA GLN 38 HA GLN 38 -5.090 6.276 2.375 224 HB2 GLN 38 HB2 GLN 38 -7.526 6.163 3.175 225 HB3 GLN 38 HB1 GLN 38 -7.004 7.621 2.346 226 HG2 GLN 38 HG2 GLN 38 -8.472 7.337 0.706 227 HG3 GLN 38 HG1 GLN 38 -8.093 5.623 0.544 228 HE21 GLN 38 HE21 GLN 38 -10.625 7.365 0.769 229 HE22 GLN 38 HE22 GLN 38 -11.598 6.497 1.901 230 H ASN 39 HN ASN 39 -6.360 4.031 0.194 231 HA ASN 39 HA ASN 39 -7.111 1.979 2.005 232 HB2 ASN 39 HB2 ASN 39 -7.722 2.267 -0.496 233 HB3 ASN 39 HB1 ASN 39 -6.191 1.448 -0.792 234 HD21 ASN 39 HD21 ASN 39 -9.008 1.088 1.339 235 HD22 ASN 39 HD22 ASN 39 -9.181 -0.614 1.103 236 H CYS 40 HN CYS 40 -4.181 2.735 0.270 237 HA CYS 40 HA CYS 40 -2.571 0.621 0.465 238 HB2 CYS 40 HB2 CYS 40 -2.177 3.424 0.351 239 HB3 CYS 40 HB1 CYS 40 -1.057 2.797 1.555 240 HA PRO 41 HA PRO 41 -1.436 1.194 5.095 241 HB2 PRO 41 HB2 PRO 41 -2.629 3.129 6.542 242 HB3 PRO 41 HB1 PRO 41 -1.199 3.445 5.551 243 HG2 PRO 41 HG2 PRO 41 -4.082 3.976 4.935 244 HG3 PRO 41 HG1 PRO 41 -2.674 5.020 4.671 245 HD2 PRO 41 HD2 PRO 41 -3.801 3.529 2.697 246 HD3 PRO 41 HD1 PRO 41 -2.075 3.933 2.736 247 H SER 42 HN SER 42 -2.464 0.667 7.211 248 HA SER 42 HA SER 42 -5.221 0.425 7.585 249 HB2 SER 42 HB2 SER 42 -3.923 -1.838 6.134 250 HB3 SER 42 HB1 SER 42 -5.131 -2.226 7.359 251 HG SER 42 HG SER 42 -6.465 -0.603 6.185 252 H LYS 43 HN LYS 43 -3.263 1.231 9.231 253 HA LYS 43 HA LYS 43 -3.207 -0.890 11.264 254 HB2 LYS 43 HB2 LYS 43 -0.924 1.002 10.678 255 HB3 LYS 43 HB1 LYS 43 -0.955 -0.228 11.932 256 HG2 LYS 43 HG2 LYS 43 -0.379 -1.848 10.514 257 HG3 LYS 43 HG1 LYS 43 -1.502 -1.288 9.275 258 HD2 LYS 43 HD2 LYS 43 0.320 0.666 9.117 259 HD3 LYS 43 HD1 LYS 43 1.360 -0.642 9.684 260 HE2 LYS 43 HE2 LYS 43 -0.457 -0.790 7.282 261 HE3 LYS 43 HE1 LYS 43 1.275 -0.469 7.219 262 HZ1 LYS 43 HZ1 LYS 43 1.268 -2.706 8.633 263 HZ2 LYS 43 HZ2 LYS 43 1.345 -2.692 6.943 264 HZ3 LYS 43 HZ3 LYS 43 -0.133 -2.964 7.720 265 H THR 44 HN THR 44 -2.774 0.000 13.475 266 HA THR 44 HA THR 44 -3.349 1.356 15.207 267 HB THR 44 HB THR 44 -3.235 3.651 13.251 268 HG1 THR 44 HG1 THR 44 -1.126 2.292 14.561 269 HG21 THR 44 HG21 THR 44 -2.735 5.032 15.039 270 HG22 THR 44 HG22 THR 44 -2.306 3.681 16.090 271 HG23 THR 44 HG23 THR 44 -3.996 3.977 15.678 272 H GLU 45 HN GLU 45 -5.197 2.105 16.182 273 HA GLU 45 HA GLU 45 -7.392 3.217 14.766 274 HB2 GLU 45 HB2 GLU 45 -7.307 0.286 15.166 275 HB3 GLU 45 HB1 GLU 45 -8.825 1.075 15.569 276 HG2 GLU 45 HG2 GLU 45 -8.487 2.193 13.213 277 HG3 GLU 45 HG1 GLU 45 -7.483 0.769 12.937 278 H GLN 46 HN GLN 46 -6.774 4.611 16.607 279 HA GLN 46 HA GLN 46 -8.144 3.753 19.072 280 HB2 GLN 46 HB2 GLN 46 -5.507 5.036 18.665 281 HB3 GLN 46 HB1 GLN 46 -6.475 5.674 19.985 282 HG2 GLN 46 HG2 GLN 46 -6.737 3.154 20.619 283 HG3 GLN 46 HG1 GLN 46 -5.278 2.971 19.646 284 HE21 GLN 46 HE21 GLN 46 -6.656 4.706 22.383 285 HE22 GLN 46 HE22 GLN 46 -5.162 4.948 23.217 286 HA PRO 47 HA PRO 47 -10.374 7.451 17.448 287 HB2 PRO 47 HB2 PRO 47 -12.834 6.623 18.232 288 HB3 PRO 47 HB1 PRO 47 -12.092 6.113 16.710 289 HG2 PRO 47 HG2 PRO 47 -12.251 4.658 19.321 290 HG3 PRO 47 HG1 PRO 47 -12.505 4.039 17.678 291 HD2 PRO 47 HD2 PRO 47 -10.187 3.676 19.037 292 HD3 PRO 47 HD1 PRO 47 -10.246 3.838 17.271 293 H ASP 48 HN ASP 48 -12.014 8.858 18.666 294 HA ASP 48 HA ASP 48 -11.409 8.836 21.547 295 HB2 ASP 48 HB2 ASP 48 -10.419 10.691 19.833 296 HB3 ASP 48 HB1 ASP 48 -11.934 11.462 20.294 297 H PHE 49 HN PHE 49 -13.648 7.592 20.556 298 HA PHE 49 HA PHE 49 -15.749 9.293 21.659 299 HB2 PHE 49 HB2 PHE 49 -15.552 8.831 18.923 300 HB3 PHE 49 HB1 PHE 49 -16.788 7.699 19.464 301 HD1 PHE 49 HD2 PHE 49 -18.026 9.256 21.655 302 HD2 PHE 49 HD1 PHE 49 -16.759 10.446 17.770 303 HE1 PHE 49 HE2 PHE 49 -19.686 11.072 21.674 304 HE2 PHE 49 HE1 PHE 49 -18.416 12.264 17.783 305 HZ PHE 49 HZ PHE 49 -19.884 12.578 19.736 306 HA PRO 50 HA PRO 50 -17.153 4.753 22.108 307 HB2 PRO 50 HB2 PRO 50 -15.313 2.973 20.783 308 HB3 PRO 50 HB1 PRO 50 -17.011 3.271 20.409 309 HG2 PRO 50 HG2 PRO 50 -14.928 3.998 18.778 310 HG3 PRO 50 HG1 PRO 50 -16.512 4.790 18.779 311 HD2 PRO 50 HD2 PRO 50 -13.958 5.653 20.081 312 HD3 PRO 50 HD1 PRO 50 -15.176 6.628 19.234 313 H TRP 51 HN TRP 51 -16.461 2.789 23.351 314 HA TRP 51 HA TRP 51 -15.339 1.833 25.083 315 HB2 TRP 51 HB2 TRP 51 -12.836 3.138 24.021 316 HB3 TRP 51 HB1 TRP 51 -12.970 1.653 24.958 317 HD1 TRP 51 HD1 TRP 51 -11.497 1.808 22.110 318 HE1 TRP 51 HE1 TRP 51 -12.314 0.286 20.203 319 HE3 TRP 51 HE3 TRP 51 -16.226 0.829 23.808 320 HZ2 TRP 51 HZ2 TRP 51 -14.647 -1.140 19.510 321 HZ3 TRP 51 HZ3 TRP 51 -17.683 -0.622 22.462 322 HH2 TRP 51 HH2 TRP 51 -16.909 -1.585 20.357 323 H ILE 52 HN ILE 52 -15.520 2.471 27.106 324 HA ILE 52 HA ILE 52 -14.580 5.170 27.831 325 HB ILE 52 HB ILE 52 -16.832 3.701 29.197 326 HG12 ILE 52 HG12 ILE 52 -17.535 4.122 26.916 327 HG13 ILE 52 HG11 ILE 52 -18.346 5.263 27.984 328 HG21 ILE 52 HG21 ILE 52 -17.289 5.761 30.277 329 HG22 ILE 52 HG22 ILE 52 -16.168 6.635 29.233 330 HG23 ILE 52 HG23 ILE 52 -15.551 5.488 30.422 331 HD11 ILE 52 HD11 ILE 52 -17.603 6.925 26.737 332 HD12 ILE 52 HD12 ILE 52 -16.738 5.783 25.708 333 HD13 ILE 52 HD13 ILE 52 -15.943 6.472 27.124 334 H TRP 53 HN TRP 53 -13.418 5.405 29.711 335 HA TRP 53 HA TRP 53 -12.080 4.834 31.462 336 HB2 TRP 53 HB2 TRP 53 -14.465 3.439 31.880 337 HB3 TRP 53 HB1 TRP 53 -13.202 2.234 32.107 338 HD1 TRP 53 HD1 TRP 53 -11.207 4.720 33.305 339 HE1 TRP 53 HE1 TRP 53 -11.536 5.287 35.793 340 HE3 TRP 53 HE3 TRP 53 -15.838 2.669 34.002 341 HZ2 TRP 53 HZ2 TRP 53 -13.498 4.914 37.788 342 HZ3 TRP 53 HZ3 TRP 53 -16.870 2.816 36.231 343 HH2 TRP 53 HH2 TRP 53 -15.723 3.916 38.084 344 H VAL 54 HN VAL 54 -10.059 4.128 31.294 345 HA VAL 54 HA VAL 54 -9.496 1.889 29.496 346 HB VAL 54 HB VAL 54 -8.289 3.992 29.089 347 HG11 VAL 54 HG11 VAL 54 -7.279 3.547 31.887 348 HG12 VAL 54 HG12 VAL 54 -8.110 4.961 31.237 349 HG13 VAL 54 HG13 VAL 54 -6.461 4.596 30.728 350 HG21 VAL 54 HG21 VAL 54 -6.381 2.944 28.463 351 HG22 VAL 54 HG22 VAL 54 -7.293 1.512 28.939 352 HG23 VAL 54 HG23 VAL 54 -6.125 2.223 30.052 Start of MODEL 13 1 H1 SER 5 HT1 SER 5 -10.698 -17.922 -7.652 2 H2 SER 5 HT2 SER 5 -9.677 -16.544 -7.728 3 H3 SER 5 HT3 SER 5 -11.001 -16.576 -6.636 4 HA SER 5 HA SER 5 -10.018 -18.187 -5.317 5 HB2 SER 5 HB2 SER 5 -8.986 -19.144 -7.633 6 HB3 SER 5 HB1 SER 5 -7.549 -18.390 -6.943 7 HG SER 5 HG SER 5 -8.044 -20.672 -6.361 8 H GLN 6 HN GLN 6 -7.797 -16.121 -7.199 9 HA GLN 6 HA GLN 6 -6.913 -14.921 -4.658 10 HB2 GLN 6 HB2 GLN 6 -4.857 -14.259 -5.983 11 HB3 GLN 6 HB1 GLN 6 -5.043 -15.977 -5.663 12 HG2 GLN 6 HG2 GLN 6 -5.708 -16.418 -7.882 13 HG3 GLN 6 HG1 GLN 6 -5.927 -14.704 -8.233 14 HE21 GLN 6 HE21 GLN 6 -3.521 -17.156 -7.462 15 HE22 GLN 6 HE22 GLN 6 -2.201 -16.373 -8.256 16 H GLY 7 HN GLY 7 -6.371 -12.632 -4.706 17 HA2 GLY 7 HA2 GLY 7 -8.390 -11.125 -6.084 18 HA3 GLY 7 HA1 GLY 7 -7.172 -10.483 -4.992 19 H GLU 8 HN GLU 8 -7.522 -8.845 -6.910 20 HA GLU 8 HA GLU 8 -5.368 -9.377 -8.846 21 HB2 GLU 8 HB2 GLU 8 -8.067 -8.130 -9.297 22 HB3 GLU 8 HB1 GLU 8 -6.716 -7.786 -10.369 23 HG2 GLU 8 HG2 GLU 8 -6.887 -9.751 -11.401 24 HG3 GLU 8 HG1 GLU 8 -7.095 -10.631 -9.888 25 H CYS 9 HN CYS 9 -4.996 -8.150 -6.352 26 HA CYS 9 HA CYS 9 -3.954 -5.589 -7.227 27 HB2 CYS 9 HB2 CYS 9 -5.843 -5.779 -4.869 28 HB3 CYS 9 HB1 CYS 9 -4.949 -4.342 -5.352 29 HA PRO 10 HA PRO 10 -1.093 -7.624 -4.295 30 HB2 PRO 10 HB2 PRO 10 1.131 -7.387 -5.743 31 HB3 PRO 10 HB1 PRO 10 -0.093 -8.594 -6.157 32 HG2 PRO 10 HG2 PRO 10 0.456 -5.941 -7.417 33 HG3 PRO 10 HG1 PRO 10 0.024 -7.478 -8.184 34 HD2 PRO 10 HD2 PRO 10 -1.744 -5.401 -7.633 35 HD3 PRO 10 HD1 PRO 10 -2.205 -7.084 -7.947 36 H GLU 11 HN GLU 11 1.329 -6.733 -3.759 37 HA GLU 11 HA GLU 11 1.148 -4.537 -2.211 38 HB2 GLU 11 HB2 GLU 11 3.129 -6.120 -2.491 39 HB3 GLU 11 HB1 GLU 11 3.642 -5.083 -3.815 40 HG2 GLU 11 HG2 GLU 11 4.691 -3.805 -2.351 41 HG3 GLU 11 HG1 GLU 11 3.129 -3.374 -1.656 42 H GLY 12 HN GLY 12 1.385 -2.375 -2.349 43 HA2 GLY 12 HA2 GLY 12 1.537 -0.274 -3.319 44 HA3 GLY 12 HA1 GLY 12 2.074 -1.044 -4.810 45 H ARG 13 HN ARG 13 -0.843 -1.832 -3.049 46 HA ARG 13 HA ARG 13 -2.446 -0.977 -5.370 47 HB2 ARG 13 HB2 ARG 13 -3.999 -2.673 -4.816 48 HB3 ARG 13 HB1 ARG 13 -2.409 -3.411 -4.684 49 HG2 ARG 13 HG2 ARG 13 -3.090 -2.264 -2.170 50 HG3 ARG 13 HG1 ARG 13 -4.440 -3.256 -2.728 51 HD2 ARG 13 HD2 ARG 13 -2.514 -4.971 -3.272 52 HD3 ARG 13 HD1 ARG 13 -1.648 -4.047 -2.048 53 HE ARG 13 HE ARG 13 -3.861 -5.845 -1.632 54 HH11 ARG 13 HH11 ARG 13 -2.044 -3.166 -0.327 55 HH12 ARG 13 HH12 ARG 13 -2.506 -3.489 1.310 56 HH21 ARG 13 HH21 ARG 13 -4.469 -6.271 0.521 57 HH22 ARG 13 HH22 ARG 13 -3.882 -5.251 1.792 58 H ALA 14 HN ALA 14 -4.777 -0.524 -4.771 59 HA ALA 14 HA ALA 14 -5.492 0.336 -2.206 60 HB1 ALA 14 HB1 ALA 14 -4.371 2.298 -2.193 61 HB2 ALA 14 HB2 ALA 14 -5.791 2.839 -3.091 62 HB3 ALA 14 HB3 ALA 14 -4.311 2.406 -3.953 63 H TYR 15 HN TYR 15 -7.668 0.907 -2.063 64 HA TYR 15 HA TYR 15 -9.184 0.624 -4.574 65 HB2 TYR 15 HB2 TYR 15 -9.432 -1.364 -3.156 66 HB3 TYR 15 HB1 TYR 15 -9.949 -0.351 -1.812 67 HD1 TYR 15 HD2 TYR 15 -10.908 -1.725 -5.085 68 HD2 TYR 15 HD1 TYR 15 -12.187 0.534 -1.714 69 HE1 TYR 15 HE2 TYR 15 -13.240 -1.936 -5.835 70 HE2 TYR 15 HE1 TYR 15 -14.523 0.328 -2.455 71 HH TYR 15 HH TYR 15 -15.538 -1.859 -4.751 72 H SER 16 HN SER 16 -10.473 2.280 -5.070 73 HA SER 16 HA SER 16 -10.909 4.324 -3.015 74 HB2 SER 16 HB2 SER 16 -10.522 5.827 -4.632 75 HB3 SER 16 HB1 SER 16 -10.145 4.489 -5.717 76 HG SER 16 HG SER 16 -12.141 6.184 -5.909 77 H GLN 17 HN GLN 17 -12.726 3.992 -1.912 78 HA GLN 17 HA GLN 17 -14.955 2.564 -2.801 79 HB2 GLN 17 HB2 GLN 17 -14.273 4.226 -0.490 80 HB3 GLN 17 HB1 GLN 17 -15.984 4.263 -0.892 81 HG2 GLN 17 HG2 GLN 17 -14.924 1.571 -0.943 82 HG3 GLN 17 HG1 GLN 17 -14.674 2.354 0.617 83 HE21 GLN 17 HE21 GLN 17 -16.954 1.012 -1.575 84 HE22 GLN 17 HE22 GLN 17 -18.347 1.160 -0.564 85 H ASP 18 HN ASP 18 -14.044 5.862 -3.264 86 HA ASP 18 HA ASP 18 -16.540 6.992 -3.857 87 HB2 ASP 18 HB2 ASP 18 -14.170 8.089 -3.588 88 HB3 ASP 18 HB1 ASP 18 -14.067 7.839 -5.328 89 H LEU 19 HN LEU 19 -14.074 5.669 -6.058 90 HA LEU 19 HA LEU 19 -15.861 5.751 -8.295 91 HB2 LEU 19 HB2 LEU 19 -13.048 4.851 -7.858 92 HB3 LEU 19 HB1 LEU 19 -13.895 4.347 -9.307 93 HG LEU 19 HG LEU 19 -12.470 6.357 -9.626 94 HD11 LEU 19 HD11 LEU 19 -14.235 7.718 -10.754 95 HD12 LEU 19 HD12 LEU 19 -15.439 6.650 -10.032 96 HD13 LEU 19 HD13 LEU 19 -14.254 6.004 -11.168 97 HD21 LEU 19 HD21 LEU 19 -14.452 8.062 -8.248 98 HD22 LEU 19 HD22 LEU 19 -12.715 8.283 -8.461 99 HD23 LEU 19 HD23 LEU 19 -13.319 7.178 -7.226 100 H GLY 20 HN GLY 20 -14.941 3.475 -5.878 101 HA2 GLY 20 HA2 GLY 20 -15.868 1.431 -5.346 102 HA3 GLY 20 HA1 GLY 20 -16.993 1.649 -6.678 103 H LYS 21 HN LYS 21 -13.436 1.426 -6.560 104 HA LYS 21 HA LYS 21 -13.416 -1.169 -7.776 105 HB2 LYS 21 HB2 LYS 21 -12.308 -0.469 -9.878 106 HB3 LYS 21 HB1 LYS 21 -13.967 0.098 -9.761 107 HG2 LYS 21 HG2 LYS 21 -12.550 2.182 -8.685 108 HG3 LYS 21 HG1 LYS 21 -11.481 1.601 -9.962 109 HD2 LYS 21 HD2 LYS 21 -14.388 2.340 -10.300 110 HD3 LYS 21 HD1 LYS 21 -13.012 3.338 -10.775 111 HE2 LYS 21 HE2 LYS 21 -12.415 1.912 -12.507 112 HE3 LYS 21 HE1 LYS 21 -13.287 0.546 -11.814 113 HZ1 LYS 21 HZ1 LYS 21 -14.279 2.746 -13.452 114 HZ2 LYS 21 HZ2 LYS 21 -15.309 2.173 -12.240 115 HZ3 LYS 21 HZ3 LYS 21 -14.740 1.118 -13.432 116 H CYS 22 HN CYS 22 -11.239 -1.988 -8.109 117 HA CYS 22 HA CYS 22 -9.378 -0.761 -6.223 118 HB2 CYS 22 HB2 CYS 22 -9.929 -3.183 -6.016 119 HB3 CYS 22 HB1 CYS 22 -9.202 -3.454 -7.595 120 H MET 23 HN MET 23 -7.170 -0.465 -6.724 121 HA MET 23 HA MET 23 -6.289 -0.595 -9.471 122 HB2 MET 23 HB2 MET 23 -5.570 2.011 -8.917 123 HB3 MET 23 HB1 MET 23 -6.881 1.517 -9.972 124 HG2 MET 23 HG2 MET 23 -7.483 1.729 -7.100 125 HG3 MET 23 HG1 MET 23 -7.156 3.226 -7.965 126 HE1 MET 23 HE1 MET 23 -9.497 4.503 -9.192 127 HE2 MET 23 HE2 MET 23 -9.133 4.232 -7.487 128 HE3 MET 23 HE3 MET 23 -10.742 3.874 -8.113 129 H GLU 24 HN GLU 24 -4.053 1.130 -9.152 130 HA GLU 24 HA GLU 24 -2.579 -0.389 -7.112 131 HB2 GLU 24 HB2 GLU 24 -0.872 -0.658 -8.543 132 HB3 GLU 24 HB1 GLU 24 -2.052 -0.267 -9.779 133 HG2 GLU 24 HG2 GLU 24 -1.340 2.086 -9.619 134 HG3 GLU 24 HG1 GLU 24 -0.078 1.580 -8.499 135 H CYS 25 HN CYS 25 -1.814 0.678 -5.416 136 HA CYS 25 HA CYS 25 -2.206 3.400 -4.997 137 HB2 CYS 25 HB2 CYS 25 -1.881 1.972 -3.103 138 HB3 CYS 25 HB1 CYS 25 -0.326 1.419 -3.707 139 H SER 26 HN SER 26 0.304 1.663 -6.604 140 HA SER 26 HA SER 26 2.324 3.611 -6.596 141 HB2 SER 26 HB2 SER 26 1.945 1.081 -7.760 142 HB3 SER 26 HB1 SER 26 2.199 2.179 -9.117 143 HG SER 26 HG SER 26 4.224 2.164 -8.608 144 H VAL 27 HN VAL 27 -0.740 3.397 -8.204 145 HA VAL 27 HA VAL 27 -0.324 4.987 -10.457 146 HB VAL 27 HB VAL 27 -2.719 4.583 -8.698 147 HG11 VAL 27 HG11 VAL 27 -3.994 5.907 -10.499 148 HG12 VAL 27 HG12 VAL 27 -2.434 6.651 -10.848 149 HG13 VAL 27 HG13 VAL 27 -3.145 6.807 -9.242 150 HG21 VAL 27 HG21 VAL 27 -1.656 3.417 -11.077 151 HG22 VAL 27 HG22 VAL 27 -3.235 4.116 -11.434 152 HG23 VAL 27 HG23 VAL 27 -3.068 2.931 -10.138 153 H CYS 28 HN CYS 28 -0.489 5.881 -7.118 154 HA CYS 28 HA CYS 28 -0.959 8.639 -7.406 155 HB2 CYS 28 HB2 CYS 28 0.241 6.936 -5.250 156 HB3 CYS 28 HB1 CYS 28 0.309 8.690 -5.119 157 H LYS 29 HN LYS 29 0.711 10.319 -6.721 158 HA LYS 29 HA LYS 29 3.232 9.779 -8.146 159 HB2 LYS 29 HB2 LYS 29 1.308 11.923 -8.381 160 HB3 LYS 29 HB1 LYS 29 2.894 12.559 -7.968 161 HG2 LYS 29 HG2 LYS 29 2.633 10.568 -10.173 162 HG3 LYS 29 HG1 LYS 29 2.212 12.258 -10.456 163 HD2 LYS 29 HD2 LYS 29 4.363 12.768 -10.693 164 HD3 LYS 29 HD1 LYS 29 4.698 12.171 -9.068 165 HE2 LYS 29 HE2 LYS 29 4.727 9.843 -10.135 166 HE3 LYS 29 HE1 LYS 29 4.830 10.692 -11.677 167 HZ1 LYS 29 HZ1 LYS 29 6.714 11.427 -9.558 168 HZ2 LYS 29 HZ2 LYS 29 6.923 11.437 -11.236 169 HZ3 LYS 29 HZ3 LYS 29 6.972 9.974 -10.387 170 H ASN 30 HN ASN 30 2.320 12.477 -6.035 171 HA ASN 30 HA ASN 30 3.646 11.654 -3.721 172 HB2 ASN 30 HB2 ASN 30 5.387 12.747 -5.823 173 HB3 ASN 30 HB1 ASN 30 5.569 13.540 -4.261 174 HD21 ASN 30 HD21 ASN 30 5.776 12.006 -2.383 175 HD22 ASN 30 HD22 ASN 30 6.780 10.620 -2.619 176 H SER 31 HN SER 31 1.292 13.053 -4.421 177 HA SER 31 HA SER 31 1.699 15.462 -2.826 178 HB2 SER 31 HB2 SER 31 1.080 15.460 -5.668 179 HB3 SER 31 HB1 SER 31 -0.155 16.301 -4.732 180 HG SER 31 HG SER 31 1.280 17.776 -4.124 181 H GLU 32 HN GLU 32 -1.117 14.503 -4.747 182 HA GLU 32 HA GLU 32 -2.511 13.127 -2.749 183 HB2 GLU 32 HB2 GLU 32 -2.280 15.661 -1.928 184 HB3 GLU 32 HB1 GLU 32 -3.703 15.850 -2.942 185 HG2 GLU 32 HG2 GLU 32 -4.672 13.877 -1.643 186 HG3 GLU 32 HG1 GLU 32 -3.360 14.155 -0.497 187 H LYS 33 HN LYS 33 -5.097 14.605 -3.456 188 HA LYS 33 HA LYS 33 -6.715 14.572 -5.047 189 HB2 LYS 33 HB2 LYS 33 -4.276 14.868 -6.590 190 HB3 LYS 33 HB1 LYS 33 -5.476 13.936 -7.473 191 HG2 LYS 33 HG2 LYS 33 -7.051 15.701 -7.368 192 HG3 LYS 33 HG1 LYS 33 -6.071 16.591 -6.200 193 HD2 LYS 33 HD2 LYS 33 -4.554 17.276 -7.792 194 HD3 LYS 33 HD1 LYS 33 -4.898 15.912 -8.857 195 HE2 LYS 33 HE2 LYS 33 -6.640 16.956 -9.853 196 HE3 LYS 33 HE1 LYS 33 -7.136 17.771 -8.371 197 HZ1 LYS 33 HZ1 LYS 33 -4.678 18.575 -9.796 198 HZ2 LYS 33 HZ2 LYS 33 -5.607 19.468 -8.701 199 HZ3 LYS 33 HZ3 LYS 33 -6.189 19.178 -10.262 200 H SER 34 HN SER 34 -6.077 12.268 -3.579 201 HA SER 34 HA SER 34 -7.325 10.278 -5.252 202 HB2 SER 34 HB2 SER 34 -4.503 9.947 -4.250 203 HB3 SER 34 HB1 SER 34 -5.532 8.561 -4.616 204 HG SER 34 HG SER 34 -4.776 10.632 -6.403 205 H ASP 35 HN ASP 35 -8.906 9.570 -4.010 206 HA ASP 35 HA ASP 35 -8.665 9.617 -1.119 207 HB2 ASP 35 HB2 ASP 35 -10.925 9.108 -3.035 208 HB3 ASP 35 HB1 ASP 35 -11.087 8.708 -1.328 209 H PHE 36 HN PHE 36 -7.650 7.521 -3.374 210 HA PHE 36 HA PHE 36 -8.325 5.133 -1.807 211 HB2 PHE 36 HB2 PHE 36 -8.583 4.013 -3.748 212 HB3 PHE 36 HB1 PHE 36 -8.591 5.591 -4.517 213 HD1 PHE 36 HD2 PHE 36 -5.815 6.401 -4.501 214 HD2 PHE 36 HD1 PHE 36 -7.530 2.564 -5.115 215 HE1 PHE 36 HE2 PHE 36 -3.835 5.729 -5.800 216 HE2 PHE 36 HE1 PHE 36 -5.557 1.881 -6.411 217 HZ PHE 36 HZ PHE 36 -3.715 3.460 -6.748 218 H CYS 37 HN CYS 37 -5.769 7.236 -2.580 219 HA CYS 37 HA CYS 37 -3.642 5.399 -2.262 220 HB2 CYS 37 HB2 CYS 37 -3.848 8.115 -2.840 221 HB3 CYS 37 HB1 CYS 37 -3.052 8.082 -1.270 222 H GLN 38 HN GLN 38 -6.039 6.168 -0.174 223 HA GLN 38 HA GLN 38 -4.473 6.261 2.257 224 HB2 GLN 38 HB2 GLN 38 -6.875 5.875 3.216 225 HB3 GLN 38 HB1 GLN 38 -6.427 7.439 2.560 226 HG2 GLN 38 HG2 GLN 38 -7.744 7.185 0.699 227 HG3 GLN 38 HG1 GLN 38 -7.714 5.425 0.788 228 HE21 GLN 38 HE21 GLN 38 -9.545 8.134 1.311 229 HE22 GLN 38 HE22 GLN 38 -10.750 7.459 2.347 230 H ASN 39 HN ASN 39 -5.744 3.947 0.148 231 HA ASN 39 HA ASN 39 -6.137 1.837 2.032 232 HB2 ASN 39 HB2 ASN 39 -6.738 2.250 -0.662 233 HB3 ASN 39 HB1 ASN 39 -5.598 0.905 -0.647 234 HD21 ASN 39 HD21 ASN 39 -6.301 -1.056 -0.104 235 HD22 ASN 39 HD22 ASN 39 -7.879 -1.412 0.504 236 H CYS 40 HN CYS 40 -3.522 2.847 -0.038 237 HA CYS 40 HA CYS 40 -1.723 0.944 -0.246 238 HB2 CYS 40 HB2 CYS 40 -1.540 3.677 -0.194 239 HB3 CYS 40 HB1 CYS 40 -0.480 3.223 1.133 240 HA PRO 41 HA PRO 41 -0.275 0.810 4.310 241 HB2 PRO 41 HB2 PRO 41 -1.331 2.435 6.152 242 HB3 PRO 41 HB1 PRO 41 -0.086 3.008 5.034 243 HG2 PRO 41 HG2 PRO 41 -3.055 3.388 4.916 244 HG3 PRO 41 HG1 PRO 41 -1.766 4.570 4.626 245 HD2 PRO 41 HD2 PRO 41 -3.097 3.249 2.630 246 HD3 PRO 41 HD1 PRO 41 -1.446 3.872 2.472 247 H SER 42 HN SER 42 -2.245 -0.765 3.318 248 HA SER 42 HA SER 42 -4.489 -0.958 5.096 249 HB2 SER 42 HB2 SER 42 -3.451 -2.623 2.819 250 HB3 SER 42 HB1 SER 42 -4.744 -3.230 3.854 251 HG SER 42 HG SER 42 -6.062 -2.001 2.797 252 H LYS 43 HN LYS 43 -1.516 -2.831 4.583 253 HA LYS 43 HA LYS 43 -1.986 -4.795 6.519 254 HB2 LYS 43 HB2 LYS 43 0.484 -3.695 5.231 255 HB3 LYS 43 HB1 LYS 43 0.628 -4.839 6.559 256 HG2 LYS 43 HG2 LYS 43 -1.206 -6.052 4.921 257 HG3 LYS 43 HG1 LYS 43 -0.107 -5.281 3.777 258 HD2 LYS 43 HD2 LYS 43 1.791 -6.378 4.809 259 HD3 LYS 43 HD1 LYS 43 0.745 -7.079 6.046 260 HE2 LYS 43 HE2 LYS 43 -0.327 -7.749 3.502 261 HE3 LYS 43 HE1 LYS 43 1.399 -8.106 3.476 262 HZ1 LYS 43 HZ1 LYS 43 0.443 -10.035 4.294 263 HZ2 LYS 43 HZ2 LYS 43 -0.684 -9.211 5.249 264 HZ3 LYS 43 HZ3 LYS 43 0.944 -9.247 5.704 265 H THR 44 HN THR 44 -1.151 -1.488 6.861 266 HA THR 44 HA THR 44 -1.338 -1.642 9.708 267 HB THR 44 HB THR 44 0.938 -2.305 9.669 268 HG1 THR 44 HG1 THR 44 0.566 -0.613 11.124 269 HG21 THR 44 HG21 THR 44 1.141 -0.523 7.361 270 HG22 THR 44 HG22 THR 44 2.049 -1.982 7.761 271 HG23 THR 44 HG23 THR 44 2.501 -0.436 8.481 272 H GLU 45 HN GLU 45 -2.640 0.029 10.043 273 HA GLU 45 HA GLU 45 -2.601 2.355 8.347 274 HB2 GLU 45 HB2 GLU 45 -4.167 1.891 10.889 275 HB3 GLU 45 HB1 GLU 45 -4.481 3.123 9.674 276 HG2 GLU 45 HG2 GLU 45 -4.552 0.833 8.194 277 HG3 GLU 45 HG1 GLU 45 -5.227 0.302 9.733 278 H GLN 46 HN GLN 46 -1.112 3.878 8.588 279 HA GLN 46 HA GLN 46 -0.109 4.474 11.286 280 HB2 GLN 46 HB2 GLN 46 1.123 5.286 8.653 281 HB3 GLN 46 HB1 GLN 46 1.857 5.383 10.247 282 HG2 GLN 46 HG2 GLN 46 1.719 2.889 10.367 283 HG3 GLN 46 HG1 GLN 46 1.212 2.903 8.677 284 HE21 GLN 46 HE21 GLN 46 3.811 3.800 10.871 285 HE22 GLN 46 HE22 GLN 46 5.079 3.715 9.700 286 HA PRO 47 HA PRO 47 -2.861 8.068 10.975 287 HB2 PRO 47 HB2 PRO 47 -1.247 8.742 13.392 288 HB3 PRO 47 HB1 PRO 47 -2.997 8.802 13.155 289 HG2 PRO 47 HG2 PRO 47 -1.891 6.829 14.554 290 HG3 PRO 47 HG1 PRO 47 -3.252 6.517 13.463 291 HD2 PRO 47 HD2 PRO 47 -0.354 5.910 13.104 292 HD3 PRO 47 HD1 PRO 47 -1.776 4.997 12.561 293 H ASP 48 HN ASP 48 -2.198 9.350 9.334 294 HA ASP 48 HA ASP 48 -0.239 11.376 9.890 295 HB2 ASP 48 HB2 ASP 48 0.798 9.105 8.784 296 HB3 ASP 48 HB1 ASP 48 0.421 10.048 7.345 297 H PHE 49 HN PHE 49 -3.009 11.379 9.353 298 HA PHE 49 HA PHE 49 -3.191 12.484 6.647 299 HB2 PHE 49 HB2 PHE 49 -4.996 10.975 8.309 300 HB3 PHE 49 HB1 PHE 49 -5.749 12.487 7.814 301 HD1 PHE 49 HD1 PHE 49 -3.613 9.850 6.250 302 HD2 PHE 49 HD2 PHE 49 -7.033 12.362 5.930 303 HE1 PHE 49 HE1 PHE 49 -4.122 8.870 4.052 304 HE2 PHE 49 HE2 PHE 49 -7.550 11.385 3.731 305 HZ PHE 49 HZ PHE 49 -6.093 9.635 2.790 306 HA PRO 50 HA PRO 50 -4.843 16.088 9.302 307 HB2 PRO 50 HB2 PRO 50 -4.721 15.481 12.104 308 HB3 PRO 50 HB1 PRO 50 -6.155 15.702 11.102 309 HG2 PRO 50 HG2 PRO 50 -5.399 13.310 12.249 310 HG3 PRO 50 HG1 PRO 50 -6.456 13.461 10.835 311 HD2 PRO 50 HD2 PRO 50 -3.536 12.826 10.961 312 HD3 PRO 50 HD1 PRO 50 -4.790 12.158 9.897 313 H TRP 51 HN TRP 51 -3.978 17.282 11.669 314 HA TRP 51 HA TRP 51 -1.112 17.543 11.115 315 HB2 TRP 51 HB2 TRP 51 -3.017 19.356 12.613 316 HB3 TRP 51 HB1 TRP 51 -1.299 19.673 12.392 317 HD1 TRP 51 HD1 TRP 51 -4.378 19.021 10.108 318 HE1 TRP 51 HE1 TRP 51 -4.148 20.524 8.031 319 HE3 TRP 51 HE3 TRP 51 0.137 21.176 11.161 320 HZ2 TRP 51 HZ2 TRP 51 -2.297 22.378 6.980 321 HZ3 TRP 51 HZ3 TRP 51 1.068 22.804 9.568 322 HH2 TRP 51 HH2 TRP 51 -0.125 23.391 7.520 323 H ILE 52 HN ILE 52 0.229 16.463 12.388 324 HA ILE 52 HA ILE 52 -0.627 15.688 15.073 325 HB ILE 52 HB ILE 52 1.901 14.863 13.653 326 HG12 ILE 52 HG12 ILE 52 0.005 14.200 12.281 327 HG13 ILE 52 HG11 ILE 52 0.686 12.781 13.071 328 HG21 ILE 52 HG21 ILE 52 1.622 12.886 15.230 329 HG22 ILE 52 HG22 ILE 52 0.437 13.876 16.081 330 HG23 ILE 52 HG23 ILE 52 2.109 14.421 15.949 331 HD11 ILE 52 HD11 ILE 52 -1.155 13.286 14.863 332 HD12 ILE 52 HD12 ILE 52 -1.545 12.421 13.376 333 HD13 ILE 52 HD13 ILE 52 -1.917 14.139 13.520 334 H TRP 53 HN TRP 53 0.174 16.551 16.885 335 HA TRP 53 HA TRP 53 2.748 17.601 17.218 336 HB2 TRP 53 HB2 TRP 53 0.945 19.399 15.923 337 HB3 TRP 53 HB1 TRP 53 1.278 20.020 17.537 338 HD1 TRP 53 HD1 TRP 53 4.357 19.015 17.658 339 HE1 TRP 53 HE1 TRP 53 6.113 20.299 16.281 340 HE3 TRP 53 HE3 TRP 53 1.254 21.241 14.259 341 HZ2 TRP 53 HZ2 TRP 53 6.174 22.025 14.049 342 HZ3 TRP 53 HZ3 TRP 53 2.241 22.694 12.536 343 HH2 TRP 53 HH2 TRP 53 4.650 23.077 12.435 344 H VAL 54 HN VAL 54 3.135 18.338 19.347 345 HA VAL 54 HA VAL 54 0.907 17.810 21.203 346 HB VAL 54 HB VAL 54 3.848 17.537 21.825 347 HG11 VAL 54 HG11 VAL 54 2.978 16.221 23.753 348 HG12 VAL 54 HG12 VAL 54 1.349 16.719 23.297 349 HG13 VAL 54 HG13 VAL 54 2.535 17.928 23.792 350 HG21 VAL 54 HG21 VAL 54 1.854 15.409 21.053 351 HG22 VAL 54 HG22 VAL 54 3.469 15.099 21.688 352 HG23 VAL 54 HG23 VAL 54 3.274 15.906 20.133 Start of MODEL 14 1 H1 SER 5 HT1 SER 5 -10.341 -2.379 -9.740 2 H2 SER 5 HT2 SER 5 -9.482 -1.692 -11.057 3 H3 SER 5 HT3 SER 5 -9.124 -3.287 -10.534 4 HA SER 5 HA SER 5 -11.771 -2.497 -11.517 5 HB2 SER 5 HB2 SER 5 -9.385 -3.546 -13.061 6 HB3 SER 5 HB1 SER 5 -11.026 -3.449 -13.700 7 HG SER 5 HG SER 5 -10.937 -1.232 -13.556 8 H GLN 6 HN GLN 6 -12.266 -3.954 -9.646 9 HA GLN 6 HA GLN 6 -12.976 -5.959 -8.838 10 HB2 GLN 6 HB2 GLN 6 -12.697 -6.758 -11.740 11 HB3 GLN 6 HB1 GLN 6 -13.480 -7.739 -10.509 12 HG2 GLN 6 HG2 GLN 6 -14.995 -5.713 -10.127 13 HG3 GLN 6 HG1 GLN 6 -14.369 -5.124 -11.665 14 HE21 GLN 6 HE21 GLN 6 -15.418 -8.280 -10.420 15 HE22 GLN 6 HE22 GLN 6 -16.509 -8.619 -11.716 16 H GLY 7 HN GLY 7 -11.127 -6.276 -7.551 17 HA2 GLY 7 HA2 GLY 7 -9.309 -7.444 -6.777 18 HA3 GLY 7 HA1 GLY 7 -9.786 -8.704 -7.906 19 H GLU 8 HN GLU 8 -7.759 -9.272 -8.594 20 HA GLU 8 HA GLU 8 -5.740 -9.139 -9.635 21 HB2 GLU 8 HB2 GLU 8 -7.785 -8.141 -11.298 22 HB3 GLU 8 HB1 GLU 8 -6.386 -7.108 -11.563 23 HG2 GLU 8 HG2 GLU 8 -5.888 -10.016 -11.531 24 HG3 GLU 8 HG1 GLU 8 -6.817 -9.387 -12.892 25 H CYS 9 HN CYS 9 -5.948 -7.462 -7.381 26 HA CYS 9 HA CYS 9 -3.979 -5.419 -8.122 27 HB2 CYS 9 HB2 CYS 9 -5.076 -3.854 -6.462 28 HB3 CYS 9 HB1 CYS 9 -5.979 -4.135 -7.947 29 HA PRO 10 HA PRO 10 -2.327 -7.734 -4.548 30 HB2 PRO 10 HB2 PRO 10 0.260 -7.581 -5.260 31 HB3 PRO 10 HB1 PRO 10 -0.844 -8.729 -6.026 32 HG2 PRO 10 HG2 PRO 10 0.119 -6.076 -7.020 33 HG3 PRO 10 HG1 PRO 10 -0.065 -7.603 -7.903 34 HD2 PRO 10 HD2 PRO 10 -1.890 -5.564 -7.994 35 HD3 PRO 10 HD1 PRO 10 -2.303 -7.271 -8.255 36 H GLU 11 HN GLU 11 0.149 -6.926 -3.523 37 HA GLU 11 HA GLU 11 -0.507 -4.744 -1.941 38 HB2 GLU 11 HB2 GLU 11 2.037 -4.619 -1.561 39 HB3 GLU 11 HB1 GLU 11 1.211 -6.107 -1.119 40 HG2 GLU 11 HG2 GLU 11 2.186 -6.104 -3.863 41 HG3 GLU 11 HG1 GLU 11 3.463 -5.914 -2.663 42 H GLY 12 HN GLY 12 1.249 -2.822 -1.863 43 HA2 GLY 12 HA2 GLY 12 1.693 -0.753 -2.776 44 HA3 GLY 12 HA1 GLY 12 2.231 -1.665 -4.182 45 H ARG 13 HN ARG 13 -1.005 -1.426 -2.784 46 HA ARG 13 HA ARG 13 -1.942 0.075 -5.129 47 HB2 ARG 13 HB2 ARG 13 -3.025 -1.669 -6.001 48 HB3 ARG 13 HB1 ARG 13 -2.268 -2.694 -4.795 49 HG2 ARG 13 HG2 ARG 13 -4.316 -1.587 -3.383 50 HG3 ARG 13 HG1 ARG 13 -5.008 -1.736 -4.995 51 HD2 ARG 13 HD2 ARG 13 -5.530 -3.797 -4.143 52 HD3 ARG 13 HD1 ARG 13 -3.955 -4.144 -4.854 53 HE ARG 13 HE ARG 13 -3.273 -3.457 -2.367 54 HH11 ARG 13 HH11 ARG 13 -5.734 -5.637 -3.543 55 HH12 ARG 13 HH12 ARG 13 -5.680 -6.651 -2.141 56 HH21 ARG 13 HH21 ARG 13 -3.201 -4.790 -0.526 57 HH22 ARG 13 HH22 ARG 13 -4.243 -6.171 -0.429 58 H ALA 14 HN ALA 14 -4.444 0.433 -4.830 59 HA ALA 14 HA ALA 14 -5.148 0.819 -2.050 60 HB1 ALA 14 HB1 ALA 14 -4.600 2.985 -2.124 61 HB2 ALA 14 HB2 ALA 14 -6.088 3.166 -3.049 62 HB3 ALA 14 HB3 ALA 14 -4.541 3.011 -3.886 63 H TYR 15 HN TYR 15 -7.516 2.099 -2.269 64 HA TYR 15 HA TYR 15 -9.106 0.878 -4.368 65 HB2 TYR 15 HB2 TYR 15 -9.142 -0.922 -2.784 66 HB3 TYR 15 HB1 TYR 15 -9.430 0.181 -1.444 67 HD1 TYR 15 HD2 TYR 15 -11.656 1.226 -1.156 68 HD2 TYR 15 HD1 TYR 15 -10.942 -1.712 -4.152 69 HE1 TYR 15 HE2 TYR 15 -14.080 0.884 -1.394 70 HE2 TYR 15 HE1 TYR 15 -13.363 -2.059 -4.398 71 HH TYR 15 HH TYR 15 -15.562 -1.252 -2.270 72 H SER 16 HN SER 16 -10.322 2.508 -5.083 73 HA SER 16 HA SER 16 -10.920 4.730 -3.324 74 HB2 SER 16 HB2 SER 16 -12.198 5.239 -5.738 75 HB3 SER 16 HB1 SER 16 -10.591 5.803 -5.273 76 HG SER 16 HG SER 16 -11.261 3.476 -6.748 77 H GLN 17 HN GLN 17 -12.458 4.166 -1.896 78 HA GLN 17 HA GLN 17 -14.654 2.530 -2.327 79 HB2 GLN 17 HB2 GLN 17 -15.598 3.528 -0.308 80 HB3 GLN 17 HB1 GLN 17 -13.881 3.207 -0.107 81 HG2 GLN 17 HG2 GLN 17 -13.720 5.288 0.632 82 HG3 GLN 17 HG1 GLN 17 -13.916 5.785 -1.048 83 HE21 GLN 17 HE21 GLN 17 -15.708 5.064 1.906 84 HE22 GLN 17 HE22 GLN 17 -17.013 6.152 1.594 85 H ASP 18 HN ASP 18 -14.138 5.827 -3.206 86 HA ASP 18 HA ASP 18 -16.844 6.581 -3.559 87 HB2 ASP 18 HB2 ASP 18 -14.441 7.905 -3.649 88 HB3 ASP 18 HB1 ASP 18 -14.900 7.869 -5.349 89 H LEU 19 HN LEU 19 -14.342 5.610 -5.898 90 HA LEU 19 HA LEU 19 -16.197 5.390 -8.047 91 HB2 LEU 19 HB2 LEU 19 -13.498 5.657 -7.896 92 HB3 LEU 19 HB1 LEU 19 -13.640 3.949 -8.263 93 HG LEU 19 HG LEU 19 -15.101 4.622 -10.230 94 HD11 LEU 19 HD11 LEU 19 -14.936 6.880 -11.039 95 HD12 LEU 19 HD12 LEU 19 -13.894 7.329 -9.688 96 HD13 LEU 19 HD13 LEU 19 -15.581 6.904 -9.397 97 HD21 LEU 19 HD21 LEU 19 -12.515 4.112 -10.118 98 HD22 LEU 19 HD22 LEU 19 -12.398 5.807 -10.591 99 HD23 LEU 19 HD23 LEU 19 -13.279 4.667 -11.607 100 H GLY 20 HN GLY 20 -14.985 3.280 -5.602 101 HA2 GLY 20 HA2 GLY 20 -15.753 1.205 -4.946 102 HA3 GLY 20 HA1 GLY 20 -16.924 1.271 -6.253 103 H LYS 21 HN LYS 21 -13.350 1.224 -6.106 104 HA LYS 21 HA LYS 21 -13.184 -1.385 -7.237 105 HB2 LYS 21 HB2 LYS 21 -11.972 -0.494 -9.353 106 HB3 LYS 21 HB1 LYS 21 -13.730 -0.548 -9.334 107 HG2 LYS 21 HG2 LYS 21 -12.831 1.972 -8.312 108 HG3 LYS 21 HG1 LYS 21 -12.076 1.650 -9.873 109 HD2 LYS 21 HD2 LYS 21 -14.938 1.014 -9.749 110 HD3 LYS 21 HD1 LYS 21 -14.560 2.724 -9.530 111 HE2 LYS 21 HE2 LYS 21 -14.928 2.274 -11.871 112 HE3 LYS 21 HE1 LYS 21 -13.229 2.663 -11.607 113 HZ1 LYS 21 HZ1 LYS 21 -13.092 0.053 -11.388 114 HZ2 LYS 21 HZ2 LYS 21 -13.004 0.824 -12.891 115 HZ3 LYS 21 HZ3 LYS 21 -14.459 0.129 -12.382 116 H CYS 22 HN CYS 22 -11.036 -2.160 -7.367 117 HA CYS 22 HA CYS 22 -9.177 -0.570 -5.769 118 HB2 CYS 22 HB2 CYS 22 -8.092 -2.574 -5.180 119 HB3 CYS 22 HB1 CYS 22 -9.803 -2.984 -5.187 120 H MET 23 HN MET 23 -7.381 0.288 -6.549 121 HA MET 23 HA MET 23 -6.505 -0.495 -9.249 122 HB2 MET 23 HB2 MET 23 -5.581 2.111 -8.864 123 HB3 MET 23 HB1 MET 23 -6.900 1.610 -9.906 124 HG2 MET 23 HG2 MET 23 -7.469 2.091 -7.047 125 HG3 MET 23 HG1 MET 23 -7.154 3.476 -8.083 126 HE1 MET 23 HE1 MET 23 -10.227 3.970 -10.107 127 HE2 MET 23 HE2 MET 23 -8.482 3.907 -10.355 128 HE3 MET 23 HE3 MET 23 -9.143 4.748 -8.953 129 H GLU 24 HN GLU 24 -4.159 1.142 -9.173 130 HA GLU 24 HA GLU 24 -2.585 -0.462 -7.285 131 HB2 GLU 24 HB2 GLU 24 -0.694 -0.125 -8.724 132 HB3 GLU 24 HB1 GLU 24 -2.050 -0.670 -9.711 133 HG2 GLU 24 HG2 GLU 24 -2.461 1.638 -10.385 134 HG3 GLU 24 HG1 GLU 24 -1.104 2.154 -9.387 135 H CYS 25 HN CYS 25 -0.747 0.482 -6.282 136 HA CYS 25 HA CYS 25 -1.268 3.195 -5.362 137 HB2 CYS 25 HB2 CYS 25 -0.700 1.272 -3.792 138 HB3 CYS 25 HB1 CYS 25 0.936 1.349 -4.435 139 H SER 26 HN SER 26 1.026 1.400 -7.273 140 HA SER 26 HA SER 26 3.150 3.190 -7.373 141 HB2 SER 26 HB2 SER 26 2.677 0.816 -8.548 142 HB3 SER 26 HB1 SER 26 2.368 1.874 -9.924 143 HG SER 26 HG SER 26 4.695 1.076 -9.043 144 H VAL 27 HN VAL 27 -0.048 3.441 -8.615 145 HA VAL 27 HA VAL 27 0.496 5.412 -10.605 146 HB VAL 27 HB VAL 27 -1.601 3.826 -10.238 147 HG11 VAL 27 HG11 VAL 27 -2.300 4.904 -8.147 148 HG12 VAL 27 HG12 VAL 27 -3.538 4.999 -9.397 149 HG13 VAL 27 HG13 VAL 27 -2.551 6.413 -9.024 150 HG21 VAL 27 HG21 VAL 27 -1.317 6.439 -11.612 151 HG22 VAL 27 HG22 VAL 27 -2.914 5.691 -11.573 152 HG23 VAL 27 HG23 VAL 27 -1.552 4.825 -12.285 153 H CYS 28 HN CYS 28 -0.623 5.425 -7.308 154 HA CYS 28 HA CYS 28 -1.170 8.156 -7.023 155 HB2 CYS 28 HB2 CYS 28 -1.796 6.325 -5.412 156 HB3 CYS 28 HB1 CYS 28 -0.125 6.324 -4.859 157 H LYS 29 HN LYS 29 0.052 9.774 -5.831 158 HA LYS 29 HA LYS 29 2.947 9.405 -5.780 159 HB2 LYS 29 HB2 LYS 29 1.489 11.087 -7.696 160 HB3 LYS 29 HB1 LYS 29 2.775 11.929 -6.843 161 HG2 LYS 29 HG2 LYS 29 4.168 9.803 -7.508 162 HG3 LYS 29 HG1 LYS 29 2.935 9.667 -8.763 163 HD2 LYS 29 HD2 LYS 29 3.485 12.243 -9.061 164 HD3 LYS 29 HD1 LYS 29 5.027 11.740 -8.365 165 HE2 LYS 29 HE2 LYS 29 5.596 10.490 -10.176 166 HE3 LYS 29 HE1 LYS 29 3.925 10.070 -10.547 167 HZ1 LYS 29 HZ1 LYS 29 3.626 12.385 -11.333 168 HZ2 LYS 29 HZ2 LYS 29 4.744 11.504 -12.246 169 HZ3 LYS 29 HZ3 LYS 29 5.285 12.644 -11.121 170 H ASN 30 HN ASN 30 3.796 11.884 -5.158 171 HA ASN 30 HA ASN 30 2.527 12.326 -2.565 172 HB2 ASN 30 HB2 ASN 30 5.198 12.246 -3.417 173 HB3 ASN 30 HB1 ASN 30 4.886 13.938 -3.041 174 HD21 ASN 30 HD21 ASN 30 4.634 14.559 -0.958 175 HD22 ASN 30 HD22 ASN 30 4.810 13.497 0.393 176 H SER 31 HN SER 31 1.102 13.261 -4.808 177 HA SER 31 HA SER 31 0.490 15.877 -4.018 178 HB2 SER 31 HB2 SER 31 2.786 15.954 -5.457 179 HB3 SER 31 HB1 SER 31 1.600 16.108 -6.752 180 HG SER 31 HG SER 31 1.760 17.735 -4.430 181 H GLU 32 HN GLU 32 -0.860 13.460 -4.628 182 HA GLU 32 HA GLU 32 -2.401 14.193 -7.026 183 HB2 GLU 32 HB2 GLU 32 -1.226 11.843 -6.630 184 HB3 GLU 32 HB1 GLU 32 -2.704 11.525 -5.732 185 HG2 GLU 32 HG2 GLU 32 -3.413 10.805 -7.740 186 HG3 GLU 32 HG1 GLU 32 -3.772 12.516 -7.970 187 H LYS 33 HN LYS 33 -4.717 13.949 -6.947 188 HA LYS 33 HA LYS 33 -5.779 14.481 -4.257 189 HB2 LYS 33 HB2 LYS 33 -6.728 15.302 -6.999 190 HB3 LYS 33 HB1 LYS 33 -7.740 15.453 -5.570 191 HG2 LYS 33 HG2 LYS 33 -6.853 17.483 -5.361 192 HG3 LYS 33 HG1 LYS 33 -5.413 16.655 -4.771 193 HD2 LYS 33 HD2 LYS 33 -5.482 16.693 -7.660 194 HD3 LYS 33 HD1 LYS 33 -5.606 18.325 -7.001 195 HE2 LYS 33 HE2 LYS 33 -3.480 16.302 -6.302 196 HE3 LYS 33 HE1 LYS 33 -3.275 17.669 -7.396 197 HZ1 LYS 33 HZ1 LYS 33 -3.150 19.123 -5.699 198 HZ2 LYS 33 HZ2 LYS 33 -2.664 17.762 -4.819 199 HZ3 LYS 33 HZ3 LYS 33 -4.267 18.294 -4.736 200 H SER 34 HN SER 34 -5.310 11.821 -5.020 201 HA SER 34 HA SER 34 -7.866 10.700 -5.833 202 HB2 SER 34 HB2 SER 34 -5.695 8.924 -4.870 203 HB3 SER 34 HB1 SER 34 -6.738 8.767 -6.283 204 HG SER 34 HG SER 34 -5.479 10.416 -7.276 205 H ASP 35 HN ASP 35 -9.288 9.658 -4.531 206 HA ASP 35 HA ASP 35 -8.965 10.046 -1.674 207 HB2 ASP 35 HB2 ASP 35 -11.250 9.263 -3.454 208 HB3 ASP 35 HB1 ASP 35 -11.352 8.997 -1.716 209 H PHE 36 HN PHE 36 -8.043 7.670 -3.765 210 HA PHE 36 HA PHE 36 -8.630 5.481 -1.915 211 HB2 PHE 36 HB2 PHE 36 -8.516 4.044 -3.685 212 HB3 PHE 36 HB1 PHE 36 -8.951 5.500 -4.559 213 HD1 PHE 36 HD1 PHE 36 -6.369 6.915 -4.653 214 HD2 PHE 36 HD2 PHE 36 -7.304 2.799 -5.158 215 HE1 PHE 36 HE1 PHE 36 -4.354 6.631 -6.043 216 HE2 PHE 36 HE2 PHE 36 -5.294 2.504 -6.547 217 HZ PHE 36 HZ PHE 36 -3.819 4.417 -6.987 218 H CYS 37 HN CYS 37 -6.081 7.564 -2.738 219 HA CYS 37 HA CYS 37 -3.908 5.847 -2.267 220 HB2 CYS 37 HB2 CYS 37 -4.201 8.823 -1.828 221 HB3 CYS 37 HB1 CYS 37 -2.674 7.963 -1.667 222 H GLN 38 HN GLN 38 -6.391 6.426 -0.241 223 HA GLN 38 HA GLN 38 -4.796 6.523 2.193 224 HB2 GLN 38 HB2 GLN 38 -7.674 6.127 2.498 225 HB3 GLN 38 HB1 GLN 38 -6.635 7.353 3.207 226 HG2 GLN 38 HG2 GLN 38 -6.742 8.620 1.106 227 HG3 GLN 38 HG1 GLN 38 -7.825 7.395 0.448 228 HE21 GLN 38 HE21 GLN 38 -9.343 9.112 0.137 229 HE22 GLN 38 HE22 GLN 38 -10.308 9.669 1.457 230 H ASN 39 HN ASN 39 -6.044 4.271 0.046 231 HA ASN 39 HA ASN 39 -6.492 2.219 2.059 232 HB2 ASN 39 HB2 ASN 39 -7.645 2.588 -0.340 233 HB3 ASN 39 HB1 ASN 39 -6.372 1.460 -0.792 234 HD21 ASN 39 HD21 ASN 39 -9.398 1.860 0.711 235 HD22 ASN 39 HD22 ASN 39 -9.642 0.218 1.187 236 H CYS 40 HN CYS 40 -4.130 3.117 -0.312 237 HA CYS 40 HA CYS 40 -2.527 0.859 -0.367 238 HB2 CYS 40 HB2 CYS 40 -2.225 2.677 -1.933 239 HB3 CYS 40 HB1 CYS 40 -1.765 3.770 -0.638 240 HA PRO 41 HA PRO 41 -0.009 2.736 3.349 241 HB2 PRO 41 HB2 PRO 41 -2.046 4.348 4.739 242 HB3 PRO 41 HB1 PRO 41 -0.373 4.752 4.345 243 HG2 PRO 41 HG2 PRO 41 -2.433 5.904 3.071 244 HG3 PRO 41 HG1 PRO 41 -0.914 5.522 2.236 245 HD2 PRO 41 HD2 PRO 41 -3.516 4.040 2.207 246 HD3 PRO 41 HD1 PRO 41 -2.416 4.401 0.864 247 H SER 42 HN SER 42 -0.785 2.872 5.979 248 HA SER 42 HA SER 42 -1.456 1.576 7.723 249 HB2 SER 42 HB2 SER 42 -3.767 0.874 5.896 250 HB3 SER 42 HB1 SER 42 -3.719 0.641 7.643 251 HG SER 42 HG SER 42 -4.807 2.582 6.970 252 H LYS 43 HN LYS 43 0.498 0.440 6.206 253 HA LYS 43 HA LYS 43 1.558 -1.528 5.787 254 HB2 LYS 43 HB2 LYS 43 -0.634 -2.741 7.480 255 HB3 LYS 43 HB1 LYS 43 0.929 -3.461 7.120 256 HG2 LYS 43 HG2 LYS 43 2.052 -1.714 8.370 257 HG3 LYS 43 HG1 LYS 43 0.507 -0.925 8.685 258 HD2 LYS 43 HD2 LYS 43 -0.032 -3.399 9.602 259 HD3 LYS 43 HD1 LYS 43 1.703 -3.326 9.918 260 HE2 LYS 43 HE2 LYS 43 1.305 -2.116 11.736 261 HE3 LYS 43 HE1 LYS 43 0.595 -0.854 10.731 262 HZ1 LYS 43 HZ1 LYS 43 -1.514 -1.577 11.149 263 HZ2 LYS 43 HZ2 LYS 43 -0.780 -1.995 12.614 264 HZ3 LYS 43 HZ3 LYS 43 -1.048 -3.179 11.437 265 H THR 44 HN THR 44 0.876 -4.040 5.211 266 HA THR 44 HA THR 44 -1.385 -4.054 3.380 267 HB THR 44 HB THR 44 1.438 -4.585 2.430 268 HG1 THR 44 HG1 THR 44 1.404 -2.641 1.632 269 HG21 THR 44 HG21 THR 44 -1.184 -5.167 1.249 270 HG22 THR 44 HG22 THR 44 0.393 -5.894 0.943 271 HG23 THR 44 HG23 THR 44 -0.032 -4.358 0.188 272 H GLU 45 HN GLU 45 -2.434 -5.829 3.969 273 HA GLU 45 HA GLU 45 -1.266 -8.404 3.740 274 HB2 GLU 45 HB2 GLU 45 -1.228 -7.129 6.365 275 HB3 GLU 45 HB1 GLU 45 -2.077 -8.669 6.378 276 HG2 GLU 45 HG2 GLU 45 -0.203 -9.869 5.938 277 HG3 GLU 45 HG1 GLU 45 0.547 -8.571 5.011 278 H GLN 46 HN GLN 46 -2.922 -9.265 2.663 279 HA GLN 46 HA GLN 46 -5.487 -9.497 4.012 280 HB2 GLN 46 HB2 GLN 46 -5.116 -8.145 1.347 281 HB3 GLN 46 HB1 GLN 46 -6.644 -8.885 1.803 282 HG2 GLN 46 HG2 GLN 46 -6.196 -7.367 3.975 283 HG3 GLN 46 HG1 GLN 46 -5.382 -6.400 2.745 284 HE21 GLN 46 HE21 GLN 46 -8.411 -8.177 3.246 285 HE22 GLN 46 HE22 GLN 46 -9.425 -7.008 2.477 286 HA PRO 47 HA PRO 47 -3.757 -13.311 1.793 287 HB2 PRO 47 HB2 PRO 47 -4.928 -14.432 4.294 288 HB3 PRO 47 HB1 PRO 47 -3.423 -14.853 3.469 289 HG2 PRO 47 HG2 PRO 47 -3.386 -13.393 5.694 290 HG3 PRO 47 HG1 PRO 47 -2.275 -13.043 4.357 291 HD2 PRO 47 HD2 PRO 47 -4.751 -11.602 5.194 292 HD3 PRO 47 HD1 PRO 47 -3.237 -10.955 4.530 293 H ASP 48 HN ASP 48 -5.118 -13.900 0.228 294 HA ASP 48 HA ASP 48 -7.519 -15.286 0.746 295 HB2 ASP 48 HB2 ASP 48 -7.722 -12.374 0.278 296 HB3 ASP 48 HB1 ASP 48 -8.813 -13.372 -0.678 297 H PHE 49 HN PHE 49 -5.839 -16.436 -0.644 298 HA PHE 49 HA PHE 49 -6.267 -15.800 -3.487 299 HB2 PHE 49 HB2 PHE 49 -3.951 -16.998 -2.012 300 HB3 PHE 49 HB1 PHE 49 -4.196 -17.393 -3.710 301 HD1 PHE 49 HD1 PHE 49 -4.886 -15.088 -5.084 302 HD2 PHE 49 HD2 PHE 49 -2.355 -15.399 -1.676 303 HE1 PHE 49 HE1 PHE 49 -3.759 -13.001 -5.736 304 HE2 PHE 49 HE2 PHE 49 -1.223 -13.311 -2.322 305 HZ PHE 49 HZ PHE 49 -1.926 -12.110 -4.354 306 HA PRO 50 HA PRO 50 -8.709 -19.633 -2.962 307 HB2 PRO 50 HB2 PRO 50 -10.196 -19.256 -5.213 308 HB3 PRO 50 HB1 PRO 50 -10.587 -18.513 -3.657 309 HG2 PRO 50 HG2 PRO 50 -9.178 -17.334 -6.019 310 HG3 PRO 50 HG1 PRO 50 -10.422 -16.611 -4.981 311 HD2 PRO 50 HD2 PRO 50 -7.800 -16.036 -4.700 312 HD3 PRO 50 HD1 PRO 50 -8.910 -16.091 -3.316 313 H TRP 51 HN TRP 51 -9.176 -21.427 -4.573 314 HA TRP 51 HA TRP 51 -6.802 -22.397 -5.651 315 HB2 TRP 51 HB2 TRP 51 -8.184 -24.124 -6.728 316 HB3 TRP 51 HB1 TRP 51 -8.669 -23.857 -5.056 317 HD1 TRP 51 HD1 TRP 51 -10.941 -22.226 -4.770 318 HE1 TRP 51 HE1 TRP 51 -13.062 -22.191 -6.227 319 HE3 TRP 51 HE3 TRP 51 -9.083 -24.482 -8.965 320 HZ2 TRP 51 HZ2 TRP 51 -13.845 -23.013 -8.811 321 HZ3 TRP 51 HZ3 TRP 51 -10.584 -24.822 -10.883 322 HH2 TRP 51 HH2 TRP 51 -12.916 -24.103 -10.807 323 H ILE 52 HN ILE 52 -5.682 -21.659 -7.309 324 HA ILE 52 HA ILE 52 -6.456 -19.788 -9.162 325 HB ILE 52 HB ILE 52 -4.113 -20.845 -8.621 326 HG12 ILE 52 HG12 ILE 52 -3.219 -19.839 -10.679 327 HG13 ILE 52 HG11 ILE 52 -4.835 -19.830 -11.377 328 HG21 ILE 52 HG21 ILE 52 -3.313 -22.525 -9.945 329 HG22 ILE 52 HG22 ILE 52 -4.444 -22.186 -11.255 330 HG23 ILE 52 HG23 ILE 52 -5.000 -23.022 -9.804 331 HD11 ILE 52 HD11 ILE 52 -3.597 -17.861 -9.783 332 HD12 ILE 52 HD12 ILE 52 -4.944 -18.529 -8.860 333 HD13 ILE 52 HD13 ILE 52 -5.222 -17.857 -10.468 334 H TRP 53 HN TRP 53 -6.765 -19.969 -11.501 335 HA TRP 53 HA TRP 53 -7.798 -20.754 -13.372 336 HB2 TRP 53 HB2 TRP 53 -6.355 -22.793 -12.922 337 HB3 TRP 53 HB1 TRP 53 -7.754 -23.502 -12.123 338 HD1 TRP 53 HD1 TRP 53 -7.915 -21.502 -15.417 339 HE1 TRP 53 HE1 TRP 53 -8.806 -23.061 -17.261 340 HE3 TRP 53 HE3 TRP 53 -8.065 -25.878 -12.778 341 HZ2 TRP 53 HZ2 TRP 53 -9.481 -25.786 -17.558 342 HZ3 TRP 53 HZ3 TRP 53 -8.845 -27.916 -13.916 343 HH2 TRP 53 HH2 TRP 53 -9.539 -27.868 -16.257 344 H VAL 54 HN VAL 54 -9.766 -19.836 -13.303 345 HA VAL 54 HA VAL 54 -11.791 -20.716 -11.449 346 HB VAL 54 HB VAL 54 -11.629 -18.347 -12.080 347 HG11 VAL 54 HG11 VAL 54 -12.445 -19.302 -14.822 348 HG12 VAL 54 HG12 VAL 54 -10.894 -18.588 -14.377 349 HG13 VAL 54 HG13 VAL 54 -12.363 -17.616 -14.310 350 HG21 VAL 54 HG21 VAL 54 -13.852 -18.011 -11.878 351 HG22 VAL 54 HG22 VAL 54 -13.882 -19.762 -11.664 352 HG23 VAL 54 HG23 VAL 54 -14.244 -19.059 -13.241 Start of MODEL 15 1 H1 SER 5 HT1 SER 5 -4.643 -14.247 -5.998 2 H2 SER 5 HT2 SER 5 -5.398 -15.006 -7.339 3 H3 SER 5 HT3 SER 5 -4.096 -15.781 -6.533 4 HA SER 5 HA SER 5 -6.360 -16.624 -6.041 5 HB2 SER 5 HB2 SER 5 -5.798 -16.823 -3.618 6 HB3 SER 5 HB1 SER 5 -4.420 -17.144 -4.670 7 HG SER 5 HG SER 5 -4.950 -14.872 -3.087 8 H GLN 6 HN GLN 6 -7.102 -14.057 -6.859 9 HA GLN 6 HA GLN 6 -8.765 -12.541 -6.530 10 HB2 GLN 6 HB2 GLN 6 -9.589 -14.768 -5.117 11 HB3 GLN 6 HB1 GLN 6 -9.691 -13.484 -3.922 12 HG2 GLN 6 HG2 GLN 6 -11.652 -12.928 -4.773 13 HG3 GLN 6 HG1 GLN 6 -10.820 -12.423 -6.244 14 HE21 GLN 6 HE21 GLN 6 -12.798 -13.011 -7.321 15 HE22 GLN 6 HE22 GLN 6 -13.092 -14.662 -7.736 16 H GLY 7 HN GLY 7 -7.903 -13.255 -3.146 17 HA2 GLY 7 HA2 GLY 7 -7.102 -11.902 -1.476 18 HA3 GLY 7 HA1 GLY 7 -6.189 -11.089 -2.738 19 H GLU 8 HN GLU 8 -6.769 -9.394 -0.945 20 HA GLU 8 HA GLU 8 -9.237 -8.032 -1.805 21 HB2 GLU 8 HB2 GLU 8 -7.959 -8.195 0.918 22 HB3 GLU 8 HB1 GLU 8 -9.119 -6.939 0.508 23 HG2 GLU 8 HG2 GLU 8 -10.667 -8.861 -0.175 24 HG3 GLU 8 HG1 GLU 8 -9.549 -9.893 0.716 25 H CYS 9 HN CYS 9 -6.845 -7.702 -3.176 26 HA CYS 9 HA CYS 9 -5.479 -6.094 -4.012 27 HB2 CYS 9 HB2 CYS 9 -7.553 -4.439 -2.601 28 HB3 CYS 9 HB1 CYS 9 -6.168 -3.665 -3.366 29 HA PRO 10 HA PRO 10 -2.948 -6.186 -0.149 30 HB2 PRO 10 HB2 PRO 10 -0.834 -6.677 -2.155 31 HB3 PRO 10 HB1 PRO 10 -1.222 -7.577 -0.686 32 HG2 PRO 10 HG2 PRO 10 -1.777 -8.569 -3.107 33 HG3 PRO 10 HG1 PRO 10 -2.866 -8.830 -1.731 34 HD2 PRO 10 HD2 PRO 10 -3.114 -6.893 -4.003 35 HD3 PRO 10 HD1 PRO 10 -4.365 -7.890 -3.231 36 H GLU 11 HN GLU 11 -0.340 -5.321 -0.371 37 HA GLU 11 HA GLU 11 -0.630 -2.526 -0.338 38 HB2 GLU 11 HB2 GLU 11 1.406 -4.438 0.277 39 HB3 GLU 11 HB1 GLU 11 2.114 -3.163 -0.705 40 HG2 GLU 11 HG2 GLU 11 0.850 -1.598 0.974 41 HG3 GLU 11 HG1 GLU 11 0.913 -3.023 2.012 42 H GLY 12 HN GLY 12 1.510 -1.418 -1.620 43 HA2 GLY 12 HA2 GLY 12 2.016 -0.431 -3.635 44 HA3 GLY 12 HA1 GLY 12 2.032 -2.077 -4.249 45 H ARG 13 HN ARG 13 -0.872 -0.746 -2.913 46 HA ARG 13 HA ARG 13 -2.008 0.304 -5.282 47 HB2 ARG 13 HB2 ARG 13 -2.709 -1.546 -6.307 48 HB3 ARG 13 HB1 ARG 13 -1.873 -2.498 -5.091 49 HG2 ARG 13 HG2 ARG 13 -3.980 -2.138 -3.675 50 HG3 ARG 13 HG1 ARG 13 -4.730 -1.687 -5.206 51 HD2 ARG 13 HD2 ARG 13 -3.148 -4.147 -5.332 52 HD3 ARG 13 HD1 ARG 13 -4.527 -4.242 -4.243 53 HE ARG 13 HE ARG 13 -5.621 -3.195 -6.464 54 HH11 ARG 13 HH11 ARG 13 -3.570 -5.973 -5.948 55 HH12 ARG 13 HH12 ARG 13 -4.214 -6.853 -7.291 56 HH21 ARG 13 HH21 ARG 13 -6.469 -4.354 -8.230 57 HH22 ARG 13 HH22 ARG 13 -5.860 -5.936 -8.587 58 H ALA 14 HN ALA 14 -4.575 0.274 -4.986 59 HA ALA 14 HA ALA 14 -5.394 0.207 -2.239 60 HB1 ALA 14 HB1 ALA 14 -4.798 2.320 -1.821 61 HB2 ALA 14 HB2 ALA 14 -6.241 2.737 -2.747 62 HB3 ALA 14 HB3 ALA 14 -4.662 2.723 -3.533 63 H TYR 15 HN TYR 15 -7.698 1.507 -2.214 64 HA TYR 15 HA TYR 15 -9.266 0.754 -4.565 65 HB2 TYR 15 HB2 TYR 15 -9.415 -1.192 -3.103 66 HB3 TYR 15 HB1 TYR 15 -9.854 -0.171 -1.742 67 HD1 TYR 15 HD2 TYR 15 -11.023 -1.369 -5.055 68 HD2 TYR 15 HD1 TYR 15 -12.100 0.412 -1.344 69 HE1 TYR 15 HE2 TYR 15 -13.399 -1.644 -5.619 70 HE2 TYR 15 HE1 TYR 15 -14.480 0.142 -1.899 71 HH TYR 15 HH TYR 15 -15.579 -1.828 -4.373 72 H SER 16 HN SER 16 -10.405 2.512 -5.114 73 HA SER 16 HA SER 16 -10.903 4.561 -3.112 74 HB2 SER 16 HB2 SER 16 -12.060 5.392 -5.526 75 HB3 SER 16 HB1 SER 16 -10.491 5.879 -4.878 76 HG SER 16 HG SER 16 -11.099 4.142 -6.931 77 H GLN 17 HN GLN 17 -12.591 4.169 -1.832 78 HA GLN 17 HA GLN 17 -14.862 2.679 -2.533 79 HB2 GLN 17 HB2 GLN 17 -14.050 4.393 -0.265 80 HB3 GLN 17 HB1 GLN 17 -15.783 4.183 -0.481 81 HG2 GLN 17 HG2 GLN 17 -15.706 1.929 -0.042 82 HG3 GLN 17 HG1 GLN 17 -14.009 1.790 -0.499 83 HE21 GLN 17 HE21 GLN 17 -15.355 0.868 1.905 84 HE22 GLN 17 HE22 GLN 17 -14.550 1.624 3.232 85 H ASP 18 HN ASP 18 -14.035 5.975 -3.077 86 HA ASP 18 HA ASP 18 -16.551 7.160 -3.299 87 HB2 ASP 18 HB2 ASP 18 -13.908 7.705 -4.629 88 HB3 ASP 18 HB1 ASP 18 -15.338 8.645 -5.046 89 H LEU 19 HN LEU 19 -14.578 5.590 -5.800 90 HA LEU 19 HA LEU 19 -16.845 5.591 -7.604 91 HB2 LEU 19 HB2 LEU 19 -14.122 5.920 -7.995 92 HB3 LEU 19 HB1 LEU 19 -14.434 4.297 -8.582 93 HG LEU 19 HG LEU 19 -16.468 5.742 -9.742 94 HD11 LEU 19 HD11 LEU 19 -15.796 7.814 -10.407 95 HD12 LEU 19 HD12 LEU 19 -14.081 7.419 -10.292 96 HD13 LEU 19 HD13 LEU 19 -15.011 7.746 -8.829 97 HD21 LEU 19 HD21 LEU 19 -13.876 4.611 -10.594 98 HD22 LEU 19 HD22 LEU 19 -14.651 5.734 -11.713 99 HD23 LEU 19 HD23 LEU 19 -15.507 4.286 -11.181 100 H GLY 20 HN GLY 20 -15.137 3.515 -5.482 101 HA2 GLY 20 HA2 GLY 20 -15.664 1.378 -4.789 102 HA3 GLY 20 HA1 GLY 20 -17.003 1.382 -5.928 103 H LYS 21 HN LYS 21 -13.489 1.730 -6.395 104 HA LYS 21 HA LYS 21 -13.434 -0.819 -7.815 105 HB2 LYS 21 HB2 LYS 21 -12.299 1.645 -9.125 106 HB3 LYS 21 HB1 LYS 21 -12.546 0.055 -9.831 107 HG2 LYS 21 HG2 LYS 21 -14.817 1.792 -8.910 108 HG3 LYS 21 HG1 LYS 21 -14.151 1.864 -10.542 109 HD2 LYS 21 HD2 LYS 21 -14.865 -0.286 -11.065 110 HD3 LYS 21 HD1 LYS 21 -15.016 -0.753 -9.370 111 HE2 LYS 21 HE2 LYS 21 -17.153 -0.146 -9.343 112 HE3 LYS 21 HE1 LYS 21 -16.743 1.468 -9.922 113 HZ1 LYS 21 HZ1 LYS 21 -18.239 -0.234 -11.295 114 HZ2 LYS 21 HZ2 LYS 21 -16.720 -0.652 -11.911 115 HZ3 LYS 21 HZ3 LYS 21 -17.272 0.942 -12.034 116 H CYS 22 HN CYS 22 -11.300 -1.655 -8.132 117 HA CYS 22 HA CYS 22 -9.408 -0.599 -6.160 118 HB2 CYS 22 HB2 CYS 22 -10.225 -3.231 -6.879 119 HB3 CYS 22 HB1 CYS 22 -8.519 -3.076 -7.283 120 H MET 23 HN MET 23 -7.487 0.221 -6.711 121 HA MET 23 HA MET 23 -6.551 -0.099 -9.474 122 HB2 MET 23 HB2 MET 23 -5.722 2.448 -8.879 123 HB3 MET 23 HB1 MET 23 -7.130 2.049 -9.845 124 HG2 MET 23 HG2 MET 23 -7.497 2.175 -6.927 125 HG3 MET 23 HG1 MET 23 -7.182 3.690 -7.766 126 HE1 MET 23 HE1 MET 23 -8.463 4.685 -9.518 127 HE2 MET 23 HE2 MET 23 -9.524 5.115 -8.178 128 HE3 MET 23 HE3 MET 23 -10.211 4.522 -9.690 129 H GLU 24 HN GLU 24 -4.256 1.508 -9.204 130 HA GLU 24 HA GLU 24 -2.713 -0.122 -7.306 131 HB2 GLU 24 HB2 GLU 24 -0.771 0.345 -8.704 132 HB3 GLU 24 HB1 GLU 24 -2.062 -0.388 -9.657 133 HG2 GLU 24 HG2 GLU 24 -2.687 1.857 -10.437 134 HG3 GLU 24 HG1 GLU 24 -1.329 2.510 -9.523 135 H CYS 25 HN CYS 25 -0.812 0.889 -6.364 136 HA CYS 25 HA CYS 25 -1.458 3.542 -5.380 137 HB2 CYS 25 HB2 CYS 25 -0.011 1.300 -4.357 138 HB3 CYS 25 HB1 CYS 25 1.066 2.685 -4.381 139 H SER 26 HN SER 26 0.728 2.001 -7.586 140 HA SER 26 HA SER 26 2.741 3.892 -7.818 141 HB2 SER 26 HB2 SER 26 2.601 1.682 -9.041 142 HB3 SER 26 HB1 SER 26 1.466 2.446 -10.154 143 HG SER 26 HG SER 26 4.201 2.734 -9.936 144 H VAL 27 HN VAL 27 -0.602 4.023 -8.704 145 HA VAL 27 HA VAL 27 -0.510 6.114 -10.592 146 HB VAL 27 HB VAL 27 -2.716 5.398 -8.656 147 HG11 VAL 27 HG11 VAL 27 -3.512 7.412 -9.292 148 HG12 VAL 27 HG12 VAL 27 -3.994 6.526 -10.737 149 HG13 VAL 27 HG13 VAL 27 -2.507 7.474 -10.740 150 HG21 VAL 27 HG21 VAL 27 -3.201 3.689 -9.988 151 HG22 VAL 27 HG22 VAL 27 -1.711 4.007 -10.876 152 HG23 VAL 27 HG23 VAL 27 -3.226 4.739 -11.404 153 H CYS 28 HN CYS 28 -0.449 6.078 -7.118 154 HA CYS 28 HA CYS 28 -1.004 8.805 -6.660 155 HB2 CYS 28 HB2 CYS 28 -0.176 6.515 -5.095 156 HB3 CYS 28 HB1 CYS 28 0.703 7.955 -4.598 157 H LYS 29 HN LYS 29 2.148 7.199 -6.227 158 HA LYS 29 HA LYS 29 4.281 7.937 -6.495 159 HB2 LYS 29 HB2 LYS 29 2.804 8.867 -8.857 160 HB3 LYS 29 HB1 LYS 29 4.285 9.760 -8.541 161 HG2 LYS 29 HG2 LYS 29 5.061 7.138 -8.231 162 HG3 LYS 29 HG1 LYS 29 3.907 7.064 -9.563 163 HD2 LYS 29 HD2 LYS 29 5.377 7.972 -10.969 164 HD3 LYS 29 HD1 LYS 29 5.667 9.326 -9.875 165 HE2 LYS 29 HE2 LYS 29 7.009 6.627 -9.822 166 HE3 LYS 29 HE1 LYS 29 7.742 8.166 -10.276 167 HZ1 LYS 29 HZ1 LYS 29 8.421 8.036 -8.130 168 HZ2 LYS 29 HZ2 LYS 29 7.087 7.129 -7.624 169 HZ3 LYS 29 HZ3 LYS 29 6.933 8.796 -7.864 170 H ASN 30 HN ASN 30 2.391 9.482 -4.771 171 HA ASN 30 HA ASN 30 2.343 11.388 -3.530 172 HB2 ASN 30 HB2 ASN 30 4.878 10.483 -3.477 173 HB3 ASN 30 HB1 ASN 30 5.156 12.070 -4.187 174 HD21 ASN 30 HD21 ASN 30 6.370 12.030 -2.017 175 HD22 ASN 30 HD22 ASN 30 5.515 12.707 -0.677 176 H SER 31 HN SER 31 0.959 12.257 -5.297 177 HA SER 31 HA SER 31 1.787 14.888 -5.974 178 HB2 SER 31 HB2 SER 31 1.995 12.760 -8.043 179 HB3 SER 31 HB1 SER 31 1.314 14.308 -8.545 180 HG SER 31 HG SER 31 3.766 13.863 -8.533 181 H GLU 32 HN GLU 32 -0.405 12.292 -7.049 182 HA GLU 32 HA GLU 32 -2.583 14.185 -7.340 183 HB2 GLU 32 HB2 GLU 32 -2.272 12.342 -8.966 184 HB3 GLU 32 HB1 GLU 32 -2.574 11.181 -7.681 185 HG2 GLU 32 HG2 GLU 32 -4.798 12.568 -7.421 186 HG3 GLU 32 HG1 GLU 32 -4.460 12.977 -9.103 187 H LYS 33 HN LYS 33 -3.903 14.713 -5.739 188 HA LYS 33 HA LYS 33 -3.799 13.388 -3.209 189 HB2 LYS 33 HB2 LYS 33 -5.054 15.799 -4.328 190 HB3 LYS 33 HB1 LYS 33 -5.991 15.025 -3.056 191 HG2 LYS 33 HG2 LYS 33 -3.129 15.350 -2.477 192 HG3 LYS 33 HG1 LYS 33 -4.048 16.849 -2.628 193 HD2 LYS 33 HD2 LYS 33 -5.376 14.774 -1.039 194 HD3 LYS 33 HD1 LYS 33 -3.853 15.346 -0.356 195 HE2 LYS 33 HE2 LYS 33 -5.877 17.311 -1.342 196 HE3 LYS 33 HE1 LYS 33 -6.089 16.552 0.235 197 HZ1 LYS 33 HZ1 LYS 33 -4.847 18.751 0.146 198 HZ2 LYS 33 HZ2 LYS 33 -3.556 17.878 -0.512 199 HZ3 LYS 33 HZ3 LYS 33 -4.132 17.500 1.033 200 H SER 34 HN SER 34 -4.396 11.261 -4.254 201 HA SER 34 HA SER 34 -7.147 10.860 -4.979 202 HB2 SER 34 HB2 SER 34 -6.566 8.602 -5.360 203 HB3 SER 34 HB1 SER 34 -5.126 9.516 -5.809 204 HG SER 34 HG SER 34 -4.239 8.114 -4.488 205 H ASP 35 HN ASP 35 -8.611 9.432 -3.846 206 HA ASP 35 HA ASP 35 -8.406 9.793 -0.952 207 HB2 ASP 35 HB2 ASP 35 -10.623 9.543 -2.886 208 HB3 ASP 35 HB1 ASP 35 -10.890 8.762 -1.331 209 H PHE 36 HN PHE 36 -7.800 7.410 -3.230 210 HA PHE 36 HA PHE 36 -8.509 5.212 -1.447 211 HB2 PHE 36 HB2 PHE 36 -8.436 3.809 -3.286 212 HB3 PHE 36 HB1 PHE 36 -8.919 5.318 -4.042 213 HD1 PHE 36 HD1 PHE 36 -6.371 6.763 -4.201 214 HD2 PHE 36 HD2 PHE 36 -7.263 2.662 -4.878 215 HE1 PHE 36 HE1 PHE 36 -4.425 6.588 -5.694 216 HE2 PHE 36 HE2 PHE 36 -5.320 2.479 -6.370 217 HZ PHE 36 HZ PHE 36 -3.902 4.442 -6.773 218 H CYS 37 HN CYS 37 -5.749 7.040 -2.296 219 HA CYS 37 HA CYS 37 -3.773 5.096 -1.955 220 HB2 CYS 37 HB2 CYS 37 -3.807 7.868 -2.324 221 HB3 CYS 37 HB1 CYS 37 -2.983 7.637 -0.786 222 H GLN 38 HN GLN 38 -6.115 5.887 0.215 223 HA GLN 38 HA GLN 38 -4.474 5.629 2.588 224 HB2 GLN 38 HB2 GLN 38 -6.920 5.453 3.573 225 HB3 GLN 38 HB1 GLN 38 -6.218 6.998 3.129 226 HG2 GLN 38 HG2 GLN 38 -7.530 7.196 1.245 227 HG3 GLN 38 HG1 GLN 38 -7.841 5.463 1.156 228 HE21 GLN 38 HE21 GLN 38 -8.695 8.458 2.704 229 HE22 GLN 38 HE22 GLN 38 -10.169 7.904 3.415 230 H ASN 39 HN ASN 39 -6.010 3.644 0.359 231 HA ASN 39 HA ASN 39 -6.632 1.475 2.129 232 HB2 ASN 39 HB2 ASN 39 -7.503 2.082 -0.327 233 HB3 ASN 39 HB1 ASN 39 -6.227 0.951 -0.759 234 HD21 ASN 39 HD21 ASN 39 -7.308 -0.814 -1.344 235 HD22 ASN 39 HD22 ASN 39 -8.454 -1.652 -0.360 236 H CYS 40 HN CYS 40 -4.003 2.276 -0.037 237 HA CYS 40 HA CYS 40 -2.484 0.094 -0.269 238 HB2 CYS 40 HB2 CYS 40 -1.985 2.855 -0.334 239 HB3 CYS 40 HB1 CYS 40 -0.744 2.178 0.713 240 HA PRO 41 HA PRO 41 -0.545 0.389 4.177 241 HB2 PRO 41 HB2 PRO 41 -2.457 2.098 5.632 242 HB3 PRO 41 HB1 PRO 41 -0.692 2.149 5.618 243 HG2 PRO 41 HG2 PRO 41 -2.165 4.035 4.404 244 HG3 PRO 41 HG1 PRO 41 -0.612 3.490 3.741 245 HD2 PRO 41 HD2 PRO 41 -3.393 2.766 2.899 246 HD3 PRO 41 HD1 PRO 41 -1.968 3.112 1.902 247 H SER 42 HN SER 42 -1.191 -1.705 4.450 248 HA SER 42 HA SER 42 -3.872 -2.144 5.590 249 HB2 SER 42 HB2 SER 42 -2.829 -3.290 3.330 250 HB3 SER 42 HB1 SER 42 -2.459 -4.506 4.553 251 HG SER 42 HG SER 42 -5.003 -3.407 3.941 252 H LYS 43 HN LYS 43 -0.835 -4.010 5.555 253 HA LYS 43 HA LYS 43 -1.206 -4.512 8.421 254 HB2 LYS 43 HB2 LYS 43 -0.890 -6.383 6.669 255 HB3 LYS 43 HB1 LYS 43 0.800 -5.898 6.660 256 HG2 LYS 43 HG2 LYS 43 0.698 -7.672 8.170 257 HG3 LYS 43 HG1 LYS 43 0.736 -6.229 9.186 258 HD2 LYS 43 HD2 LYS 43 -1.893 -6.457 8.970 259 HD3 LYS 43 HD1 LYS 43 -1.480 -8.148 8.679 260 HE2 LYS 43 HE2 LYS 43 -0.551 -8.415 10.789 261 HE3 LYS 43 HE1 LYS 43 -0.302 -6.683 11.006 262 HZ1 LYS 43 HZ1 LYS 43 -2.970 -7.983 10.925 263 HZ2 LYS 43 HZ2 LYS 43 -2.637 -6.370 11.311 264 HZ3 LYS 43 HZ3 LYS 43 -2.139 -7.608 12.351 265 H THR 44 HN THR 44 0.554 -4.355 9.875 266 HA THR 44 HA THR 44 2.162 -3.094 10.889 267 HB THR 44 HB THR 44 3.457 -4.831 9.674 268 HG1 THR 44 HG1 THR 44 4.854 -3.770 10.848 269 HG21 THR 44 HG21 THR 44 3.691 -2.699 7.576 270 HG22 THR 44 HG22 THR 44 3.132 -4.361 7.389 271 HG23 THR 44 HG23 THR 44 4.831 -4.036 7.730 272 H GLU 45 HN GLU 45 4.124 -1.417 10.083 273 HA GLU 45 HA GLU 45 3.023 0.612 8.326 274 HB2 GLU 45 HB2 GLU 45 3.714 1.392 11.154 275 HB3 GLU 45 HB1 GLU 45 2.904 2.356 9.928 276 HG2 GLU 45 HG2 GLU 45 1.000 0.735 10.042 277 HG3 GLU 45 HG1 GLU 45 1.800 0.000 11.431 278 H GLN 46 HN GLN 46 4.708 2.715 9.149 279 HA GLN 46 HA GLN 46 7.402 1.573 8.911 280 HB2 GLN 46 HB2 GLN 46 6.121 3.599 7.096 281 HB3 GLN 46 HB1 GLN 46 7.867 3.513 7.277 282 HG2 GLN 46 HG2 GLN 46 6.189 1.152 6.487 283 HG3 GLN 46 HG1 GLN 46 6.886 2.275 5.320 284 HE21 GLN 46 HE21 GLN 46 9.191 2.463 5.234 285 HE22 GLN 46 HE22 GLN 46 10.188 1.132 5.702 286 HA PRO 47 HA PRO 47 7.007 5.047 12.081 287 HB2 PRO 47 HB2 PRO 47 8.269 3.068 13.860 288 HB3 PRO 47 HB1 PRO 47 6.829 4.054 14.122 289 HG2 PRO 47 HG2 PRO 47 6.669 1.407 13.708 290 HG3 PRO 47 HG1 PRO 47 5.432 2.525 13.105 291 HD2 PRO 47 HD2 PRO 47 7.683 1.213 11.626 292 HD3 PRO 47 HD1 PRO 47 6.001 1.470 11.121 293 H ASP 48 HN ASP 48 8.667 5.909 10.638 294 HA ASP 48 HA ASP 48 10.775 6.539 10.048 295 HB2 ASP 48 HB2 ASP 48 12.145 7.317 11.876 296 HB3 ASP 48 HB1 ASP 48 10.459 7.639 12.264 297 H PHE 49 HN PHE 49 10.325 3.765 9.811 298 HA PHE 49 HA PHE 49 12.924 2.616 10.565 299 HB2 PHE 49 HB2 PHE 49 10.210 1.490 10.201 300 HB3 PHE 49 HB1 PHE 49 11.540 0.486 9.635 301 HD1 PHE 49 HD1 PHE 49 13.619 1.099 11.629 302 HD2 PHE 49 HD2 PHE 49 9.445 0.429 12.109 303 HE1 PHE 49 HE1 PHE 49 14.012 0.327 13.932 304 HE2 PHE 49 HE2 PHE 49 9.829 -0.344 14.413 305 HZ PHE 49 HZ PHE 49 12.116 -0.395 15.327 306 HA PRO 50 HA PRO 50 14.008 2.904 6.251 307 HB2 PRO 50 HB2 PRO 50 16.383 1.654 6.347 308 HB3 PRO 50 HB1 PRO 50 16.146 3.257 7.055 309 HG2 PRO 50 HG2 PRO 50 16.210 0.583 8.398 310 HG3 PRO 50 HG1 PRO 50 16.945 2.112 8.912 311 HD2 PRO 50 HD2 PRO 50 14.580 1.150 9.903 312 HD3 PRO 50 HD1 PRO 50 14.998 2.874 9.847 313 H TRP 51 HN TRP 51 14.094 1.609 4.406 314 HA TRP 51 HA TRP 51 13.633 -0.180 3.082 315 HB2 TRP 51 HB2 TRP 51 14.832 -1.624 5.446 316 HB3 TRP 51 HB1 TRP 51 14.346 -2.448 3.968 317 HD1 TRP 51 HD1 TRP 51 16.971 -0.001 5.305 318 HE1 TRP 51 HE1 TRP 51 18.926 0.096 3.633 319 HE3 TRP 51 HE3 TRP 51 14.944 -2.780 1.523 320 HZ2 TRP 51 HZ2 TRP 51 19.528 -0.876 1.052 321 HZ3 TRP 51 HZ3 TRP 51 16.275 -3.148 -0.514 322 HH2 TRP 51 HH2 TRP 51 18.519 -2.214 -0.743 323 H ILE 52 HN ILE 52 11.592 -0.664 2.635 324 HA ILE 52 HA ILE 52 9.663 -1.120 4.692 325 HB ILE 52 HB ILE 52 8.790 0.108 2.950 326 HG12 ILE 52 HG12 ILE 52 7.461 -2.053 3.485 327 HG13 ILE 52 HG11 ILE 52 7.003 -1.125 2.059 328 HG21 ILE 52 HG21 ILE 52 10.306 0.159 1.253 329 HG22 ILE 52 HG22 ILE 52 9.038 -0.810 0.501 330 HG23 ILE 52 HG23 ILE 52 10.460 -1.597 1.188 331 HD11 ILE 52 HD11 ILE 52 7.598 -3.824 2.168 332 HD12 ILE 52 HD12 ILE 52 9.031 -3.083 1.448 333 HD13 ILE 52 HD13 ILE 52 7.443 -2.833 0.715 334 H TRP 53 HN TRP 53 8.627 -3.011 5.198 335 HA TRP 53 HA TRP 53 9.336 -5.439 3.731 336 HB2 TRP 53 HB2 TRP 53 9.654 -6.585 6.008 337 HB3 TRP 53 HB1 TRP 53 10.965 -5.566 5.424 338 HD1 TRP 53 HD1 TRP 53 7.827 -4.129 7.113 339 HE1 TRP 53 HE1 TRP 53 8.536 -2.991 9.310 340 HE3 TRP 53 HE3 TRP 53 12.743 -5.527 7.200 341 HZ2 TRP 53 HZ2 TRP 53 10.871 -2.723 10.873 342 HZ3 TRP 53 HZ3 TRP 53 14.146 -4.788 9.082 343 HH2 TRP 53 HH2 TRP 53 13.228 -3.415 10.880 344 H VAL 54 HN VAL 54 8.047 -7.358 4.680 345 HA VAL 54 HA VAL 54 5.506 -6.618 5.867 346 HB VAL 54 HB VAL 54 5.114 -6.216 3.472 347 HG11 VAL 54 HG11 VAL 54 5.266 -9.085 2.795 348 HG12 VAL 54 HG12 VAL 54 6.802 -8.236 2.972 349 HG13 VAL 54 HG13 VAL 54 5.606 -7.664 1.808 350 HG21 VAL 54 HG21 VAL 54 3.075 -6.770 4.225 351 HG22 VAL 54 HG22 VAL 54 3.669 -8.197 5.075 352 HG23 VAL 54 HG23 VAL 54 3.333 -8.276 3.345 Start of MODEL 16 1 H1 SER 5 HT1 SER 5 -8.926 -16.333 -4.500 2 H2 SER 5 HT2 SER 5 -7.598 -15.277 -4.752 3 H3 SER 5 HT3 SER 5 -9.201 -14.719 -5.006 4 HA SER 5 HA SER 5 -9.697 -14.736 -2.779 5 HB2 SER 5 HB2 SER 5 -7.833 -15.643 -1.190 6 HB3 SER 5 HB1 SER 5 -8.890 -16.792 -2.010 7 HG SER 5 HG SER 5 -6.866 -17.534 -2.367 8 H GLN 6 HN GLN 6 -8.623 -12.830 -4.467 9 HA GLN 6 HA GLN 6 -7.354 -11.087 -2.579 10 HB2 GLN 6 HB2 GLN 6 -5.703 -12.588 -4.386 11 HB3 GLN 6 HB1 GLN 6 -5.604 -10.881 -4.792 12 HG2 GLN 6 HG2 GLN 6 -5.220 -11.918 -2.001 13 HG3 GLN 6 HG1 GLN 6 -3.899 -11.744 -3.155 14 HE21 GLN 6 HE21 GLN 6 -6.188 -10.096 -1.143 15 HE22 GLN 6 HE22 GLN 6 -5.483 -8.524 -1.270 16 H GLY 7 HN GLY 7 -8.122 -11.643 -6.000 17 HA2 GLY 7 HA2 GLY 7 -9.868 -10.217 -6.973 18 HA3 GLY 7 HA1 GLY 7 -9.143 -8.870 -6.106 19 H GLU 8 HN GLU 8 -9.054 -7.778 -8.161 20 HA GLU 8 HA GLU 8 -6.954 -8.787 -9.954 21 HB2 GLU 8 HB2 GLU 8 -7.908 -7.375 -11.682 22 HB3 GLU 8 HB1 GLU 8 -9.161 -8.399 -10.994 23 HG2 GLU 8 HG2 GLU 8 -9.562 -6.305 -9.455 24 HG3 GLU 8 HG1 GLU 8 -8.786 -5.459 -10.794 25 H CYS 9 HN CYS 9 -6.340 -7.520 -7.492 26 HA CYS 9 HA CYS 9 -4.627 -5.412 -8.488 27 HB2 CYS 9 HB2 CYS 9 -6.710 -4.879 -6.358 28 HB3 CYS 9 HB1 CYS 9 -5.341 -3.819 -6.678 29 HA PRO 10 HA PRO 10 -2.429 -7.904 -5.369 30 HB2 PRO 10 HB2 PRO 10 0.052 -7.428 -6.322 31 HB3 PRO 10 HB1 PRO 10 -1.033 -8.611 -7.063 32 HG2 PRO 10 HG2 PRO 10 -0.440 -5.798 -7.903 33 HG3 PRO 10 HG1 PRO 10 -0.583 -7.257 -8.902 34 HD2 PRO 10 HD2 PRO 10 -2.588 -5.439 -8.643 35 HD3 PRO 10 HD1 PRO 10 -2.881 -7.166 -8.927 36 H GLU 11 HN GLU 11 -0.047 -7.167 -4.346 37 HA GLU 11 HA GLU 11 -0.643 -5.138 -2.547 38 HB2 GLU 11 HB2 GLU 11 1.902 -5.111 -2.177 39 HB3 GLU 11 HB1 GLU 11 1.048 -6.618 -1.884 40 HG2 GLU 11 HG2 GLU 11 1.957 -6.416 -4.623 41 HG3 GLU 11 HG1 GLU 11 3.283 -6.253 -3.473 42 H GLY 12 HN GLY 12 1.157 -3.277 -2.294 43 HA2 GLY 12 HA2 GLY 12 1.638 -1.134 -2.993 44 HA3 GLY 12 HA1 GLY 12 2.164 -1.913 -4.481 45 H ARG 13 HN ARG 13 -1.070 -1.756 -3.079 46 HA ARG 13 HA ARG 13 -1.972 -0.019 -5.269 47 HB2 ARG 13 HB2 ARG 13 -3.089 -1.650 -6.296 48 HB3 ARG 13 HB1 ARG 13 -2.359 -2.797 -5.189 49 HG2 ARG 13 HG2 ARG 13 -4.447 -1.663 -3.752 50 HG3 ARG 13 HG1 ARG 13 -5.081 -1.898 -5.378 51 HD2 ARG 13 HD2 ARG 13 -5.561 -3.902 -4.260 52 HD3 ARG 13 HD1 ARG 13 -4.123 -4.259 -5.212 53 HE ARG 13 HE ARG 13 -3.087 -3.507 -2.843 54 HH11 ARG 13 HH11 ARG 13 -5.567 -5.809 -3.700 55 HH12 ARG 13 HH12 ARG 13 -5.233 -6.855 -2.360 56 HH21 ARG 13 HH21 ARG 13 -2.649 -4.880 -1.082 57 HH22 ARG 13 HH22 ARG 13 -3.579 -6.326 -0.873 58 H ALA 14 HN ALA 14 -4.470 0.345 -4.934 59 HA ALA 14 HA ALA 14 -5.161 0.513 -2.133 60 HB1 ALA 14 HB1 ALA 14 -4.625 2.669 -1.990 61 HB2 ALA 14 HB2 ALA 14 -6.037 2.965 -3.000 62 HB3 ALA 14 HB3 ALA 14 -4.439 2.826 -3.737 63 H TYR 15 HN TYR 15 -7.507 1.908 -2.290 64 HA TYR 15 HA TYR 15 -9.094 0.844 -4.477 65 HB2 TYR 15 HB2 TYR 15 -9.138 -1.019 -2.917 66 HB3 TYR 15 HB1 TYR 15 -9.583 0.056 -1.595 67 HD1 TYR 15 HD1 TYR 15 -10.784 -1.371 -4.800 68 HD2 TYR 15 HD2 TYR 15 -11.843 0.588 -1.176 69 HE1 TYR 15 HE1 TYR 15 -13.161 -1.763 -5.291 70 HE2 TYR 15 HE2 TYR 15 -14.223 0.202 -1.655 71 HH TYR 15 HH TYR 15 -15.400 -0.596 -4.603 72 H SER 16 HN SER 16 -10.265 2.522 -5.129 73 HA SER 16 HA SER 16 -10.834 4.691 -3.297 74 HB2 SER 16 HB2 SER 16 -12.056 5.348 -5.685 75 HB3 SER 16 HB1 SER 16 -10.417 5.795 -5.213 76 HG SER 16 HG SER 16 -11.220 4.152 -7.178 77 H GLN 17 HN GLN 17 -12.478 4.291 -1.939 78 HA GLN 17 HA GLN 17 -14.705 2.683 -2.494 79 HB2 GLN 17 HB2 GLN 17 -14.115 4.766 -0.420 80 HB3 GLN 17 HB1 GLN 17 -15.723 4.062 -0.529 81 HG2 GLN 17 HG2 GLN 17 -14.853 1.866 -0.119 82 HG3 GLN 17 HG1 GLN 17 -13.197 2.466 -0.187 83 HE21 GLN 17 HE21 GLN 17 -16.171 2.472 1.653 84 HE22 GLN 17 HE22 GLN 17 -15.467 2.951 3.156 85 H ASP 18 HN ASP 18 -14.040 6.021 -3.134 86 HA ASP 18 HA ASP 18 -16.655 6.958 -3.536 87 HB2 ASP 18 HB2 ASP 18 -13.983 7.809 -4.635 88 HB3 ASP 18 HB1 ASP 18 -15.472 8.619 -5.114 89 H LEU 19 HN LEU 19 -14.274 5.802 -5.917 90 HA LEU 19 HA LEU 19 -16.243 5.675 -7.993 91 HB2 LEU 19 HB2 LEU 19 -13.827 6.230 -8.366 92 HB3 LEU 19 HB1 LEU 19 -13.447 4.557 -8.002 93 HG LEU 19 HG LEU 19 -15.194 4.105 -9.948 94 HD11 LEU 19 HD11 LEU 19 -14.450 5.998 -11.681 95 HD12 LEU 19 HD12 LEU 19 -14.474 6.959 -10.202 96 HD13 LEU 19 HD13 LEU 19 -15.926 6.101 -10.719 97 HD21 LEU 19 HD21 LEU 19 -12.343 4.974 -10.413 98 HD22 LEU 19 HD22 LEU 19 -13.314 3.976 -11.496 99 HD23 LEU 19 HD23 LEU 19 -12.864 3.368 -9.903 100 H GLY 20 HN GLY 20 -15.003 3.564 -5.588 101 HA2 GLY 20 HA2 GLY 20 -15.697 1.461 -4.959 102 HA3 GLY 20 HA1 GLY 20 -16.918 1.542 -6.220 103 H LYS 21 HN LYS 21 -13.354 1.628 -6.346 104 HA LYS 21 HA LYS 21 -13.278 -0.980 -7.603 105 HB2 LYS 21 HB2 LYS 21 -12.060 1.261 -9.178 106 HB3 LYS 21 HB1 LYS 21 -12.495 -0.356 -9.710 107 HG2 LYS 21 HG2 LYS 21 -14.864 0.235 -9.561 108 HG3 LYS 21 HG1 LYS 21 -14.420 1.861 -9.038 109 HD2 LYS 21 HD2 LYS 21 -14.685 2.251 -11.270 110 HD3 LYS 21 HD1 LYS 21 -12.984 1.780 -11.266 111 HE2 LYS 21 HE2 LYS 21 -13.965 0.562 -13.024 112 HE3 LYS 21 HE1 LYS 21 -13.791 -0.586 -11.698 113 HZ1 LYS 21 HZ1 LYS 21 -16.035 -0.309 -13.047 114 HZ2 LYS 21 HZ2 LYS 21 -16.314 0.870 -11.866 115 HZ3 LYS 21 HZ3 LYS 21 -16.018 -0.732 -11.409 116 H CYS 22 HN CYS 22 -10.992 -1.625 -8.118 117 HA CYS 22 HA CYS 22 -9.185 -0.409 -6.141 118 HB2 CYS 22 HB2 CYS 22 -8.107 -2.531 -5.893 119 HB3 CYS 22 HB1 CYS 22 -9.839 -2.809 -5.778 120 H MET 23 HN MET 23 -7.342 0.476 -6.777 121 HA MET 23 HA MET 23 -6.418 -0.031 -9.524 122 HB2 MET 23 HB2 MET 23 -5.433 2.493 -8.885 123 HB3 MET 23 HB1 MET 23 -6.756 2.138 -9.979 124 HG2 MET 23 HG2 MET 23 -7.509 2.288 -7.162 125 HG3 MET 23 HG1 MET 23 -6.856 3.773 -7.836 126 HE1 MET 23 HE1 MET 23 -9.892 1.021 -8.727 127 HE2 MET 23 HE2 MET 23 -8.493 1.057 -9.799 128 HE3 MET 23 HE3 MET 23 -10.036 1.711 -10.343 129 H GLU 24 HN GLU 24 -4.031 1.501 -9.243 130 HA GLU 24 HA GLU 24 -2.576 -0.306 -7.444 131 HB2 GLU 24 HB2 GLU 24 -0.637 0.038 -8.794 132 HB3 GLU 24 HB1 GLU 24 -1.979 -0.324 -9.876 133 HG2 GLU 24 HG2 GLU 24 -2.051 2.399 -9.693 134 HG3 GLU 24 HG1 GLU 24 -0.326 2.050 -9.637 135 H CYS 25 HN CYS 25 -0.743 0.483 -6.318 136 HA CYS 25 HA CYS 25 -1.208 3.118 -5.186 137 HB2 CYS 25 HB2 CYS 25 -0.694 1.036 -3.796 138 HB3 CYS 25 HB1 CYS 25 0.956 1.167 -4.395 139 H SER 26 HN SER 26 1.026 1.466 -7.266 140 HA SER 26 HA SER 26 3.193 3.218 -7.188 141 HB2 SER 26 HB2 SER 26 2.105 1.286 -9.176 142 HB3 SER 26 HB1 SER 26 3.257 2.482 -9.770 143 HG SER 26 HG SER 26 3.643 0.328 -8.085 144 H VAL 27 HN VAL 27 0.000 3.604 -8.429 145 HA VAL 27 HA VAL 27 0.563 5.685 -10.286 146 HB VAL 27 HB VAL 27 -1.940 4.656 -9.009 147 HG11 VAL 27 HG11 VAL 27 -3.061 6.397 -10.638 148 HG12 VAL 27 HG12 VAL 27 -1.588 7.310 -10.315 149 HG13 VAL 27 HG13 VAL 27 -2.643 6.838 -8.982 150 HG21 VAL 27 HG21 VAL 27 -2.391 3.772 -11.050 151 HG22 VAL 27 HG22 VAL 27 -0.635 3.846 -11.181 152 HG23 VAL 27 HG23 VAL 27 -1.626 5.102 -11.919 153 H CYS 28 HN CYS 28 0.084 5.563 -6.867 154 HA CYS 28 HA CYS 28 -0.551 8.299 -6.476 155 HB2 CYS 28 HB2 CYS 28 0.055 5.976 -4.787 156 HB3 CYS 28 HB1 CYS 28 0.583 7.510 -4.105 157 H LYS 29 HN LYS 29 1.114 9.144 -7.970 158 HA LYS 29 HA LYS 29 3.472 9.918 -6.458 159 HB2 LYS 29 HB2 LYS 29 3.582 8.416 -9.067 160 HB3 LYS 29 HB1 LYS 29 4.903 9.449 -8.536 161 HG2 LYS 29 HG2 LYS 29 3.818 7.183 -6.885 162 HG3 LYS 29 HG1 LYS 29 5.154 7.006 -8.026 163 HD2 LYS 29 HD2 LYS 29 5.330 9.203 -6.038 164 HD3 LYS 29 HD1 LYS 29 5.541 7.553 -5.449 165 HE2 LYS 29 HE2 LYS 29 7.681 7.802 -6.054 166 HE3 LYS 29 HE1 LYS 29 7.095 7.568 -7.700 167 HZ1 LYS 29 HZ1 LYS 29 7.186 10.248 -6.459 168 HZ2 LYS 29 HZ2 LYS 29 7.098 9.850 -8.100 169 HZ3 LYS 29 HZ3 LYS 29 8.534 9.592 -7.244 170 H ASN 30 HN ASN 30 1.685 11.707 -6.731 171 HA ASN 30 HA ASN 30 2.787 13.653 -8.499 172 HB2 ASN 30 HB2 ASN 30 0.440 12.128 -9.370 173 HB3 ASN 30 HB1 ASN 30 0.193 13.871 -9.402 174 HD21 ASN 30 HD21 ASN 30 0.495 11.829 -11.544 175 HD22 ASN 30 HD22 ASN 30 1.754 12.434 -12.560 176 H SER 31 HN SER 31 1.905 15.768 -8.163 177 HA SER 31 HA SER 31 1.142 16.257 -5.490 178 HB2 SER 31 HB2 SER 31 1.560 17.897 -7.929 179 HB3 SER 31 HB1 SER 31 0.566 18.610 -6.658 180 HG SER 31 HG SER 31 3.275 17.940 -6.646 181 H GLU 32 HN GLU 32 -0.761 15.228 -4.967 182 HA GLU 32 HA GLU 32 -3.169 16.605 -5.648 183 HB2 GLU 32 HB2 GLU 32 -4.359 14.710 -6.648 184 HB3 GLU 32 HB1 GLU 32 -2.988 15.194 -7.637 185 HG2 GLU 32 HG2 GLU 32 -1.719 13.334 -6.374 186 HG3 GLU 32 HG1 GLU 32 -3.329 12.752 -5.951 187 H LYS 33 HN LYS 33 -5.108 15.019 -4.813 188 HA LYS 33 HA LYS 33 -4.228 13.943 -2.218 189 HB2 LYS 33 HB2 LYS 33 -6.556 15.768 -2.806 190 HB3 LYS 33 HB1 LYS 33 -6.454 14.815 -1.331 191 HG2 LYS 33 HG2 LYS 33 -4.224 16.643 -2.128 192 HG3 LYS 33 HG1 LYS 33 -5.653 17.258 -1.294 193 HD2 LYS 33 HD2 LYS 33 -5.003 16.400 0.671 194 HD3 LYS 33 HD1 LYS 33 -4.554 14.857 -0.057 195 HE2 LYS 33 HE2 LYS 33 -2.738 17.015 -0.774 196 HE3 LYS 33 HE1 LYS 33 -2.822 16.746 0.966 197 HZ1 LYS 33 HZ1 LYS 33 -2.041 14.824 -1.144 198 HZ2 LYS 33 HZ2 LYS 33 -2.477 14.316 0.408 199 HZ3 LYS 33 HZ3 LYS 33 -1.144 15.334 0.196 200 H SER 34 HN SER 34 -4.287 11.909 -3.452 201 HA SER 34 HA SER 34 -6.700 10.877 -4.509 202 HB2 SER 34 HB2 SER 34 -4.012 9.808 -3.865 203 HB3 SER 34 HB1 SER 34 -5.321 8.630 -3.934 204 HG SER 34 HG SER 34 -5.425 8.875 -6.023 205 H ASP 35 HN ASP 35 -8.354 9.807 -3.586 206 HA ASP 35 HA ASP 35 -8.482 9.752 -0.699 207 HB2 ASP 35 HB2 ASP 35 -10.487 9.140 -2.866 208 HB3 ASP 35 HB1 ASP 35 -10.837 8.888 -1.158 209 H PHE 36 HN PHE 36 -8.063 7.524 -3.312 210 HA PHE 36 HA PHE 36 -8.577 5.188 -1.712 211 HB2 PHE 36 HB2 PHE 36 -8.500 4.015 -3.666 212 HB3 PHE 36 HB1 PHE 36 -8.774 5.606 -4.348 213 HD1 PHE 36 HD2 PHE 36 -6.171 6.855 -4.256 214 HD2 PHE 36 HD1 PHE 36 -7.217 2.827 -5.125 215 HE1 PHE 36 HE2 PHE 36 -4.111 6.610 -5.581 216 HE2 PHE 36 HE1 PHE 36 -5.159 2.570 -6.449 217 HZ PHE 36 HZ PHE 36 -3.607 4.461 -6.674 218 H CYS 37 HN CYS 37 -5.854 7.168 -2.318 219 HA CYS 37 HA CYS 37 -3.834 5.266 -1.914 220 HB2 CYS 37 HB2 CYS 37 -3.877 7.969 -2.394 221 HB3 CYS 37 HB1 CYS 37 -3.314 7.906 -0.728 222 H GLN 38 HN GLN 38 -6.326 5.920 0.079 223 HA GLN 38 HA GLN 38 -4.880 5.801 2.587 224 HB2 GLN 38 HB2 GLN 38 -7.021 5.973 3.619 225 HB3 GLN 38 HB1 GLN 38 -7.022 7.075 2.255 226 HG2 GLN 38 HG2 GLN 38 -8.230 5.378 0.933 227 HG3 GLN 38 HG1 GLN 38 -8.308 4.362 2.372 228 HE21 GLN 38 HE21 GLN 38 -8.816 7.822 1.768 229 HE22 GLN 38 HE22 GLN 38 -10.388 7.892 2.480 230 H ASN 39 HN ASN 39 -6.165 3.723 0.262 231 HA ASN 39 HA ASN 39 -6.557 1.480 2.041 232 HB2 ASN 39 HB2 ASN 39 -7.651 2.100 -0.346 233 HB3 ASN 39 HB1 ASN 39 -6.390 0.987 -0.862 234 HD21 ASN 39 HD21 ASN 39 -9.430 1.332 0.645 235 HD22 ASN 39 HD22 ASN 39 -9.726 -0.343 0.953 236 H CYS 40 HN CYS 40 -4.139 2.614 -0.174 237 HA CYS 40 HA CYS 40 -2.541 0.386 -0.473 238 HB2 CYS 40 HB2 CYS 40 -2.200 2.491 -1.687 239 HB3 CYS 40 HB1 CYS 40 -1.642 3.258 -0.209 240 HA PRO 41 HA PRO 41 -0.103 2.013 3.604 241 HB2 PRO 41 HB2 PRO 41 -2.710 2.552 4.970 242 HB3 PRO 41 HB1 PRO 41 -1.126 3.289 5.242 243 HG2 PRO 41 HG2 PRO 41 -3.021 4.561 3.852 244 HG3 PRO 41 HG1 PRO 41 -1.308 4.683 3.411 245 HD2 PRO 41 HD2 PRO 41 -3.503 3.231 2.058 246 HD3 PRO 41 HD1 PRO 41 -1.998 3.884 1.392 247 H SER 42 HN SER 42 0.502 0.260 4.717 248 HA SER 42 HA SER 42 -0.882 -2.162 4.633 249 HB2 SER 42 HB2 SER 42 0.747 -2.586 6.733 250 HB3 SER 42 HB1 SER 42 1.324 -2.566 5.067 251 HG SER 42 HG SER 42 2.617 -1.216 6.301 252 H LYS 43 HN LYS 43 -2.679 -2.749 5.634 253 HA LYS 43 HA LYS 43 -3.062 -2.539 8.418 254 HB2 LYS 43 HB2 LYS 43 -3.465 -0.163 7.841 255 HB3 LYS 43 HB1 LYS 43 -4.764 -0.663 6.765 256 HG2 LYS 43 HG2 LYS 43 -6.178 -0.548 8.460 257 HG3 LYS 43 HG1 LYS 43 -5.291 -1.840 9.269 258 HD2 LYS 43 HD2 LYS 43 -4.183 -0.404 10.643 259 HD3 LYS 43 HD1 LYS 43 -4.154 0.890 9.443 260 HE2 LYS 43 HE2 LYS 43 -6.132 1.742 10.119 261 HE3 LYS 43 HE1 LYS 43 -6.817 0.154 10.464 262 HZ1 LYS 43 HZ1 LYS 43 -5.792 0.097 12.552 263 HZ2 LYS 43 HZ2 LYS 43 -6.400 1.669 12.426 264 HZ3 LYS 43 HZ3 LYS 43 -4.751 1.380 12.191 265 H THR 44 HN THR 44 -3.536 -4.723 8.135 266 HA THR 44 HA THR 44 -6.288 -5.295 7.581 267 HB THR 44 HB THR 44 -5.455 -7.190 5.919 268 HG1 THR 44 HG1 THR 44 -3.260 -6.500 6.045 269 HG21 THR 44 HG21 THR 44 -5.665 -4.430 4.785 270 HG22 THR 44 HG22 THR 44 -7.062 -5.260 5.472 271 HG23 THR 44 HG23 THR 44 -6.209 -5.961 4.097 272 H GLU 45 HN GLU 45 -6.951 -7.278 8.419 273 HA GLU 45 HA GLU 45 -4.876 -8.808 9.846 274 HB2 GLU 45 HB2 GLU 45 -7.009 -7.326 10.957 275 HB3 GLU 45 HB1 GLU 45 -7.434 -9.020 11.150 276 HG2 GLU 45 HG2 GLU 45 -5.118 -9.339 12.127 277 HG3 GLU 45 HG1 GLU 45 -5.015 -7.580 12.186 278 H GLN 46 HN GLN 46 -5.266 -9.777 7.501 279 HA GLN 46 HA GLN 46 -7.528 -11.427 7.115 280 HB2 GLN 46 HB2 GLN 46 -5.166 -10.749 5.674 281 HB3 GLN 46 HB1 GLN 46 -5.299 -12.502 5.709 282 HG2 GLN 46 HG2 GLN 46 -7.499 -12.404 4.742 283 HG3 GLN 46 HG1 GLN 46 -7.491 -10.643 4.824 284 HE21 GLN 46 HE21 GLN 46 -6.275 -13.445 3.182 285 HE22 GLN 46 HE22 GLN 46 -5.615 -12.614 1.818 286 HA PRO 47 HA PRO 47 -4.702 -15.122 8.487 287 HB2 PRO 47 HB2 PRO 47 -2.405 -14.419 9.813 288 HB3 PRO 47 HB1 PRO 47 -2.480 -14.769 8.082 289 HG2 PRO 47 HG2 PRO 47 -2.482 -12.126 9.486 290 HG3 PRO 47 HG1 PRO 47 -1.626 -12.611 8.009 291 HD2 PRO 47 HD2 PRO 47 -3.891 -11.157 7.923 292 HD3 PRO 47 HD1 PRO 47 -3.514 -12.373 6.688 293 H ASP 48 HN ASP 48 -4.174 -16.059 10.668 294 HA ASP 48 HA ASP 48 -5.102 -14.405 12.898 295 HB2 ASP 48 HB2 ASP 48 -7.016 -15.749 11.891 296 HB3 ASP 48 HB1 ASP 48 -6.175 -17.191 12.452 297 H PHE 49 HN PHE 49 -2.482 -15.081 12.412 298 HA PHE 49 HA PHE 49 -1.940 -16.872 14.667 299 HB2 PHE 49 HB2 PHE 49 -1.146 -17.271 11.866 300 HB3 PHE 49 HB1 PHE 49 0.177 -17.415 13.017 301 HD1 PHE 49 HD1 PHE 49 -0.831 -18.720 15.291 302 HD2 PHE 49 HD2 PHE 49 -1.932 -19.320 11.225 303 HE1 PHE 49 HE1 PHE 49 -1.543 -21.014 15.827 304 HE2 PHE 49 HE2 PHE 49 -2.647 -21.615 11.752 305 HZ PHE 49 HZ PHE 49 -2.453 -22.464 14.057 306 HA PRO 50 HA PRO 50 0.479 -13.363 15.985 307 HB2 PRO 50 HB2 PRO 50 2.005 -15.473 17.431 308 HB3 PRO 50 HB1 PRO 50 1.293 -13.976 18.046 309 HG2 PRO 50 HG2 PRO 50 0.145 -16.327 18.537 310 HG3 PRO 50 HG1 PRO 50 -0.833 -14.890 18.185 311 HD2 PRO 50 HD2 PRO 50 -0.179 -17.215 16.431 312 HD3 PRO 50 HD1 PRO 50 -1.679 -16.272 16.545 313 H TRP 51 HN TRP 51 2.116 -12.406 14.959 314 HA TRP 51 HA TRP 51 4.288 -14.089 13.896 315 HB2 TRP 51 HB2 TRP 51 2.552 -12.149 12.538 316 HB3 TRP 51 HB1 TRP 51 4.268 -11.903 12.233 317 HD1 TRP 51 HD1 TRP 51 3.264 -15.496 12.743 318 HE1 TRP 51 HE1 TRP 51 3.310 -16.730 10.485 319 HE3 TRP 51 HE3 TRP 51 3.819 -11.478 9.631 320 HZ2 TRP 51 HZ2 TRP 51 3.552 -16.086 7.747 321 HZ3 TRP 51 HZ3 TRP 51 3.951 -11.872 7.206 322 HH2 TRP 51 HH2 TRP 51 3.821 -14.130 6.286 323 H ILE 52 HN ILE 52 6.314 -12.837 13.464 324 HA ILE 52 HA ILE 52 6.904 -11.176 15.771 325 HB ILE 52 HB ILE 52 8.950 -11.769 13.688 326 HG12 ILE 52 HG12 ILE 52 9.193 -13.965 15.282 327 HG13 ILE 52 HG11 ILE 52 7.441 -13.810 15.192 328 HG21 ILE 52 HG21 ILE 52 10.115 -10.806 15.340 329 HG22 ILE 52 HG22 ILE 52 9.992 -12.367 16.149 330 HG23 ILE 52 HG23 ILE 52 8.841 -11.085 16.526 331 HD11 ILE 52 HD11 ILE 52 9.090 -15.045 13.357 332 HD12 ILE 52 HD12 ILE 52 8.680 -13.506 12.599 333 HD13 ILE 52 HD13 ILE 52 7.399 -14.600 13.122 334 H TRP 53 HN TRP 53 8.723 -9.406 15.096 335 HA TRP 53 HA TRP 53 9.190 -7.422 14.080 336 HB2 TRP 53 HB2 TRP 53 8.246 -9.032 11.957 337 HB3 TRP 53 HB1 TRP 53 7.440 -7.475 11.795 338 HD1 TRP 53 HD1 TRP 53 8.809 -5.570 10.719 339 HE1 TRP 53 HE1 TRP 53 11.257 -5.281 9.979 340 HE3 TRP 53 HE3 TRP 53 10.767 -9.857 12.702 341 HZ2 TRP 53 HZ2 TRP 53 13.695 -6.687 10.205 342 HZ3 TRP 53 HZ3 TRP 53 13.166 -10.309 12.394 343 HH2 TRP 53 HH2 TRP 53 14.598 -8.756 11.171 344 H VAL 54 HN VAL 54 8.299 -6.032 15.506 345 HA VAL 54 HA VAL 54 6.779 -4.675 16.538 346 HB VAL 54 HB VAL 54 5.906 -4.364 13.666 347 HG11 VAL 54 HG11 VAL 54 5.410 -2.548 16.024 348 HG12 VAL 54 HG12 VAL 54 4.196 -3.530 15.204 349 HG13 VAL 54 HG13 VAL 54 4.984 -2.205 14.347 350 HG21 VAL 54 HG21 VAL 54 7.970 -2.970 15.347 351 HG22 VAL 54 HG22 VAL 54 7.325 -2.273 13.860 352 HG23 VAL 54 HG23 VAL 54 8.192 -3.809 13.811 Start of MODEL 17 1 H1 SER 5 HT1 SER 5 -17.467 -3.461 -4.316 2 H2 SER 5 HT2 SER 5 -18.956 -4.303 -4.177 3 H3 SER 5 HT3 SER 5 -17.706 -4.923 -5.178 4 HA SER 5 HA SER 5 -17.378 -4.518 -2.291 5 HB2 SER 5 HB2 SER 5 -19.252 -6.000 -2.515 6 HB3 SER 5 HB1 SER 5 -18.466 -6.893 -3.817 7 HG SER 5 HG SER 5 -18.405 -7.850 -1.634 8 H GLN 6 HN GLN 6 -15.242 -4.407 -2.040 9 HA GLN 6 HA GLN 6 -13.570 -6.513 -3.103 10 HB2 GLN 6 HB2 GLN 6 -13.554 -3.776 -4.195 11 HB3 GLN 6 HB1 GLN 6 -11.969 -4.410 -3.773 12 HG2 GLN 6 HG2 GLN 6 -12.064 -6.079 -5.349 13 HG3 GLN 6 HG1 GLN 6 -13.826 -6.081 -5.396 14 HE21 GLN 6 HE21 GLN 6 -14.659 -3.753 -6.040 15 HE22 GLN 6 HE22 GLN 6 -13.950 -3.136 -7.490 16 H GLY 7 HN GLY 7 -12.997 -7.129 -1.068 17 HA2 GLY 7 HA2 GLY 7 -11.655 -5.092 0.602 18 HA3 GLY 7 HA1 GLY 7 -12.513 -6.481 1.251 19 H GLU 8 HN GLU 8 -10.365 -6.592 -1.526 20 HA GLU 8 HA GLU 8 -8.403 -8.057 0.110 21 HB2 GLU 8 HB2 GLU 8 -9.128 -8.750 -2.740 22 HB3 GLU 8 HB1 GLU 8 -8.070 -9.650 -1.660 23 HG2 GLU 8 HG2 GLU 8 -10.800 -9.242 -0.665 24 HG3 GLU 8 HG1 GLU 8 -10.668 -10.237 -2.115 25 H CYS 9 HN CYS 9 -8.184 -5.343 -0.398 26 HA CYS 9 HA CYS 9 -6.169 -5.172 -2.527 27 HB2 CYS 9 HB2 CYS 9 -8.248 -3.388 -1.621 28 HB3 CYS 9 HB1 CYS 9 -6.683 -2.589 -1.525 29 HA PRO 10 HA PRO 10 -3.558 -5.233 1.255 30 HB2 PRO 10 HB2 PRO 10 -1.404 -6.350 0.045 31 HB3 PRO 10 HB1 PRO 10 -2.765 -7.304 0.646 32 HG2 PRO 10 HG2 PRO 10 -2.177 -6.391 -2.145 33 HG3 PRO 10 HG1 PRO 10 -2.738 -7.977 -1.582 34 HD2 PRO 10 HD2 PRO 10 -4.412 -6.139 -2.652 35 HD3 PRO 10 HD1 PRO 10 -4.925 -7.275 -1.389 36 H GLU 11 HN GLU 11 -0.910 -4.765 1.088 37 HA GLU 11 HA GLU 11 -0.716 -2.014 0.712 38 HB2 GLU 11 HB2 GLU 11 0.828 -3.844 1.933 39 HB3 GLU 11 HB1 GLU 11 1.771 -3.612 0.467 40 HG2 GLU 11 HG2 GLU 11 0.993 -1.066 1.506 41 HG3 GLU 11 HG1 GLU 11 1.739 -2.024 2.784 42 H GLY 12 HN GLY 12 1.356 -1.242 -0.683 43 HA2 GLY 12 HA2 GLY 12 1.918 -0.555 -2.811 44 HA3 GLY 12 HA1 GLY 12 1.964 -2.279 -3.156 45 H ARG 13 HN ARG 13 -0.985 -0.760 -2.155 46 HA ARG 13 HA ARG 13 -2.075 -0.054 -4.647 47 HB2 ARG 13 HB2 ARG 13 -2.603 -2.044 -5.516 48 HB3 ARG 13 HB1 ARG 13 -1.867 -2.833 -4.129 49 HG2 ARG 13 HG2 ARG 13 -4.114 -2.286 -2.960 50 HG3 ARG 13 HG1 ARG 13 -4.709 -2.143 -4.614 51 HD2 ARG 13 HD2 ARG 13 -3.315 -4.545 -3.442 52 HD3 ARG 13 HD1 ARG 13 -5.043 -4.406 -3.738 53 HE ARG 13 HE ARG 13 -4.652 -4.573 -6.044 54 HH11 ARG 13 HH11 ARG 13 -1.684 -4.778 -4.205 55 HH12 ARG 13 HH12 ARG 13 -0.774 -5.430 -5.524 56 HH21 ARG 13 HH21 ARG 13 -3.449 -5.431 -7.768 57 HH22 ARG 13 HH22 ARG 13 -1.772 -5.801 -7.543 58 H ALA 14 HN ALA 14 -4.543 0.143 -4.478 59 HA ALA 14 HA ALA 14 -5.563 0.052 -1.785 60 HB1 ALA 14 HB1 ALA 14 -4.637 2.520 -2.981 61 HB2 ALA 14 HB2 ALA 14 -5.058 2.159 -1.309 62 HB3 ALA 14 HB3 ALA 14 -6.318 2.608 -2.456 63 H TYR 15 HN TYR 15 -7.821 1.407 -1.908 64 HA TYR 15 HA TYR 15 -9.272 0.554 -4.314 65 HB2 TYR 15 HB2 TYR 15 -9.744 -1.188 -2.732 66 HB3 TYR 15 HB1 TYR 15 -10.010 -0.026 -1.439 67 HD1 TYR 15 HD1 TYR 15 -12.057 1.429 -1.506 68 HD2 TYR 15 HD2 TYR 15 -11.509 -1.836 -4.181 69 HE1 TYR 15 HE1 TYR 15 -14.464 1.438 -2.003 70 HE2 TYR 15 HE2 TYR 15 -13.915 -1.833 -4.685 71 HH TYR 15 HH TYR 15 -15.812 -0.103 -4.602 72 H SER 16 HN SER 16 -10.120 2.359 -5.163 73 HA SER 16 HA SER 16 -10.597 4.661 -3.472 74 HB2 SER 16 HB2 SER 16 -10.033 5.747 -5.348 75 HB3 SER 16 HB1 SER 16 -10.037 4.232 -6.250 76 HG SER 16 HG SER 16 -12.193 4.535 -6.721 77 H GLN 17 HN GLN 17 -12.358 4.562 -2.266 78 HA GLN 17 HA GLN 17 -14.718 3.194 -2.906 79 HB2 GLN 17 HB2 GLN 17 -15.709 4.411 -1.015 80 HB3 GLN 17 HB1 GLN 17 -14.124 3.764 -0.615 81 HG2 GLN 17 HG2 GLN 17 -13.128 5.846 -0.599 82 HG3 GLN 17 HG1 GLN 17 -14.397 6.574 -1.582 83 HE21 GLN 17 HE21 GLN 17 -13.248 6.009 1.545 84 HE22 GLN 17 HE22 GLN 17 -14.597 6.641 2.421 85 H ASP 18 HN ASP 18 -13.602 6.376 -3.676 86 HA ASP 18 HA ASP 18 -16.043 7.610 -4.300 87 HB2 ASP 18 HB2 ASP 18 -13.221 8.152 -4.705 88 HB3 ASP 18 HB1 ASP 18 -14.165 8.634 -6.110 89 H LEU 19 HN LEU 19 -13.752 5.859 -6.380 90 HA LEU 19 HA LEU 19 -15.598 5.892 -8.585 91 HB2 LEU 19 HB2 LEU 19 -12.808 5.608 -8.288 92 HB3 LEU 19 HB1 LEU 19 -13.389 4.112 -8.994 93 HG LEU 19 HG LEU 19 -14.397 6.601 -10.235 94 HD11 LEU 19 HD11 LEU 19 -12.331 7.509 -10.272 95 HD12 LEU 19 HD12 LEU 19 -12.114 6.391 -11.619 96 HD13 LEU 19 HD13 LEU 19 -11.525 5.962 -10.013 97 HD21 LEU 19 HD21 LEU 19 -14.729 5.254 -11.994 98 HD22 LEU 19 HD22 LEU 19 -14.471 3.942 -10.844 99 HD23 LEU 19 HD23 LEU 19 -13.137 4.509 -11.849 100 H GLY 20 HN GLY 20 -14.573 3.747 -6.078 101 HA2 GLY 20 HA2 GLY 20 -15.630 1.835 -5.305 102 HA3 GLY 20 HA1 GLY 20 -16.747 1.944 -6.657 103 H LYS 21 HN LYS 21 -13.194 1.599 -6.485 104 HA LYS 21 HA LYS 21 -13.318 -1.101 -7.471 105 HB2 LYS 21 HB2 LYS 21 -11.888 -0.473 -9.520 106 HB3 LYS 21 HB1 LYS 21 -13.624 -0.211 -9.606 107 HG2 LYS 21 HG2 LYS 21 -13.329 2.145 -9.171 108 HG3 LYS 21 HG1 LYS 21 -11.594 1.915 -8.954 109 HD2 LYS 21 HD2 LYS 21 -12.645 0.889 -11.491 110 HD3 LYS 21 HD1 LYS 21 -12.796 2.636 -11.293 111 HE2 LYS 21 HE2 LYS 21 -10.387 2.735 -10.733 112 HE3 LYS 21 HE1 LYS 21 -10.270 1.006 -11.056 113 HZ1 LYS 21 HZ1 LYS 21 -9.690 1.777 -13.083 114 HZ2 LYS 21 HZ2 LYS 21 -10.538 3.231 -12.918 115 HZ3 LYS 21 HZ3 LYS 21 -11.366 1.811 -13.317 116 H CYS 22 HN CYS 22 -11.269 -2.145 -7.520 117 HA CYS 22 HA CYS 22 -9.371 -0.940 -5.676 118 HB2 CYS 22 HB2 CYS 22 -10.134 -3.638 -6.440 119 HB3 CYS 22 HB1 CYS 22 -8.386 -3.441 -6.463 120 H MET 23 HN MET 23 -7.457 -0.110 -6.231 121 HA MET 23 HA MET 23 -6.395 -0.680 -8.911 122 HB2 MET 23 HB2 MET 23 -5.548 1.873 -8.565 123 HB3 MET 23 HB1 MET 23 -6.998 1.434 -9.449 124 HG2 MET 23 HG2 MET 23 -7.301 1.817 -6.552 125 HG3 MET 23 HG1 MET 23 -6.921 3.251 -7.499 126 HE1 MET 23 HE1 MET 23 -10.029 4.128 -9.343 127 HE2 MET 23 HE2 MET 23 -8.297 3.965 -9.634 128 HE3 MET 23 HE3 MET 23 -8.874 4.753 -8.165 129 H GLU 24 HN GLU 24 -4.071 0.887 -8.682 130 HA GLU 24 HA GLU 24 -2.673 -0.584 -6.554 131 HB2 GLU 24 HB2 GLU 24 -0.667 -0.381 -7.921 132 HB3 GLU 24 HB1 GLU 24 -1.960 -1.170 -8.821 133 HG2 GLU 24 HG2 GLU 24 -2.448 1.150 -9.748 134 HG3 GLU 24 HG1 GLU 24 -0.874 1.591 -9.092 135 H CYS 25 HN CYS 25 -0.744 0.414 -5.681 136 HA CYS 25 HA CYS 25 -1.256 3.140 -4.899 137 HB2 CYS 25 HB2 CYS 25 0.075 1.005 -3.721 138 HB3 CYS 25 HB1 CYS 25 1.370 2.111 -4.151 139 H SER 26 HN SER 26 0.827 1.438 -7.100 140 HA SER 26 HA SER 26 2.770 3.347 -7.612 141 HB2 SER 26 HB2 SER 26 2.260 2.328 -10.117 142 HB3 SER 26 HB1 SER 26 3.290 1.560 -8.909 143 HG SER 26 HG SER 26 1.544 0.243 -9.855 144 H VAL 27 HN VAL 27 -0.616 3.309 -8.322 145 HA VAL 27 HA VAL 27 -0.605 5.273 -10.376 146 HB VAL 27 HB VAL 27 -2.796 4.420 -8.486 147 HG11 VAL 27 HG11 VAL 27 -3.473 6.565 -9.113 148 HG12 VAL 27 HG12 VAL 27 -4.274 5.515 -10.282 149 HG13 VAL 27 HG13 VAL 27 -2.818 6.397 -10.742 150 HG21 VAL 27 HG21 VAL 27 -3.369 2.846 -9.991 151 HG22 VAL 27 HG22 VAL 27 -1.691 3.011 -10.512 152 HG23 VAL 27 HG23 VAL 27 -2.968 3.870 -11.370 153 H CYS 28 HN CYS 28 -0.571 5.401 -6.909 154 HA CYS 28 HA CYS 28 -1.303 8.130 -6.635 155 HB2 CYS 28 HB2 CYS 28 0.246 6.348 -4.744 156 HB3 CYS 28 HB1 CYS 28 -0.441 7.914 -4.331 157 H LYS 29 HN LYS 29 0.272 9.698 -5.526 158 HA LYS 29 HA LYS 29 2.156 10.971 -5.570 159 HB2 LYS 29 HB2 LYS 29 3.600 8.571 -6.691 160 HB3 LYS 29 HB1 LYS 29 4.303 9.943 -5.847 161 HG2 LYS 29 HG2 LYS 29 3.877 9.077 -3.832 162 HG3 LYS 29 HG1 LYS 29 2.272 8.518 -4.303 163 HD2 LYS 29 HD2 LYS 29 3.751 6.797 -5.718 164 HD3 LYS 29 HD1 LYS 29 4.880 7.117 -4.399 165 HE2 LYS 29 HE2 LYS 29 2.018 6.451 -3.827 166 HE3 LYS 29 HE1 LYS 29 3.181 5.172 -4.175 167 HZ1 LYS 29 HZ1 LYS 29 4.398 5.653 -2.282 168 HZ2 LYS 29 HZ2 LYS 29 2.805 5.855 -1.751 169 HZ3 LYS 29 HZ3 LYS 29 3.752 7.209 -2.118 170 H ASN 30 HN ASN 30 2.461 8.829 -8.416 171 HA ASN 30 HA ASN 30 3.597 10.550 -10.190 172 HB2 ASN 30 HB2 ASN 30 1.549 8.386 -10.608 173 HB3 ASN 30 HB1 ASN 30 2.210 9.292 -11.966 174 HD21 ASN 30 HD21 ASN 30 4.726 9.497 -11.743 175 HD22 ASN 30 HD22 ASN 30 5.537 7.998 -11.463 176 H SER 31 HN SER 31 0.066 10.010 -10.166 177 HA SER 31 HA SER 31 -0.492 12.818 -10.268 178 HB2 SER 31 HB2 SER 31 0.176 11.826 -12.696 179 HB3 SER 31 HB1 SER 31 -1.556 11.493 -12.693 180 HG SER 31 HG SER 31 -1.875 13.531 -13.033 181 H GLU 32 HN GLU 32 -2.987 12.962 -11.131 182 HA GLU 32 HA GLU 32 -5.157 12.558 -10.589 183 HB2 GLU 32 HB2 GLU 32 -4.674 10.423 -11.798 184 HB3 GLU 32 HB1 GLU 32 -4.284 9.685 -10.252 185 HG2 GLU 32 HG2 GLU 32 -6.509 9.074 -10.831 186 HG3 GLU 32 HG1 GLU 32 -6.587 10.210 -9.487 187 H LYS 33 HN LYS 33 -5.411 13.649 -8.701 188 HA LYS 33 HA LYS 33 -4.390 12.747 -6.204 189 HB2 LYS 33 HB2 LYS 33 -6.660 14.696 -6.578 190 HB3 LYS 33 HB1 LYS 33 -5.523 14.603 -5.239 191 HG2 LYS 33 HG2 LYS 33 -3.997 14.975 -7.577 192 HG3 LYS 33 HG1 LYS 33 -5.346 16.110 -7.655 193 HD2 LYS 33 HD2 LYS 33 -4.741 16.691 -5.230 194 HD3 LYS 33 HD1 LYS 33 -3.219 15.858 -5.550 195 HE2 LYS 33 HE2 LYS 33 -3.404 17.477 -7.722 196 HE3 LYS 33 HE1 LYS 33 -4.185 18.468 -6.491 197 HZ1 LYS 33 HZ1 LYS 33 -2.265 18.503 -5.197 198 HZ2 LYS 33 HZ2 LYS 33 -1.682 18.692 -6.773 199 HZ3 LYS 33 HZ3 LYS 33 -1.565 17.190 -6.004 200 H SER 34 HN SER 34 -5.272 10.510 -6.495 201 HA SER 34 HA SER 34 -8.092 10.111 -6.131 202 HB2 SER 34 HB2 SER 34 -6.528 8.523 -7.338 203 HB3 SER 34 HB1 SER 34 -5.906 8.061 -5.755 204 HG SER 34 HG SER 34 -8.244 7.655 -5.272 205 H ASP 35 HN ASP 35 -9.109 9.175 -4.310 206 HA ASP 35 HA ASP 35 -7.828 9.916 -1.782 207 HB2 ASP 35 HB2 ASP 35 -10.316 10.497 -2.699 208 HB3 ASP 35 HB1 ASP 35 -10.651 9.039 -1.771 209 H PHE 36 HN PHE 36 -7.513 7.347 -3.458 210 HA PHE 36 HA PHE 36 -8.370 5.379 -1.474 211 HB2 PHE 36 HB2 PHE 36 -8.253 3.762 -3.138 212 HB3 PHE 36 HB1 PHE 36 -8.751 5.182 -4.044 213 HD1 PHE 36 HD2 PHE 36 -6.305 6.645 -4.488 214 HD2 PHE 36 HD1 PHE 36 -6.978 2.451 -4.492 215 HE1 PHE 36 HE2 PHE 36 -4.365 6.338 -5.964 216 HE2 PHE 36 HE1 PHE 36 -5.036 2.131 -5.960 217 HZ PHE 36 HZ PHE 36 -3.730 4.075 -6.694 218 H CYS 37 HN CYS 37 -5.555 7.063 -2.384 219 HA CYS 37 HA CYS 37 -3.609 5.127 -1.823 220 HB2 CYS 37 HB2 CYS 37 -3.370 8.067 -1.170 221 HB3 CYS 37 HB1 CYS 37 -2.064 6.943 -1.527 222 H GLN 38 HN GLN 38 -6.021 6.080 0.180 223 HA GLN 38 HA GLN 38 -4.446 6.017 2.619 224 HB2 GLN 38 HB2 GLN 38 -7.355 5.904 2.901 225 HB3 GLN 38 HB1 GLN 38 -6.207 7.025 3.616 226 HG2 GLN 38 HG2 GLN 38 -6.156 8.254 1.466 227 HG3 GLN 38 HG1 GLN 38 -7.411 7.170 0.867 228 HE21 GLN 38 HE21 GLN 38 -7.468 10.060 1.235 229 HE22 GLN 38 HE22 GLN 38 -8.788 10.384 2.303 230 H ASN 39 HN ASN 39 -5.939 3.888 0.492 231 HA ASN 39 HA ASN 39 -6.651 1.895 2.463 232 HB2 ASN 39 HB2 ASN 39 -7.289 2.342 -0.229 233 HB3 ASN 39 HB1 ASN 39 -6.356 0.848 -0.218 234 HD21 ASN 39 HD21 ASN 39 -7.680 -0.809 -0.268 235 HD22 ASN 39 HD22 ASN 39 -9.131 -0.983 0.655 236 H CYS 40 HN CYS 40 -4.075 2.489 0.194 237 HA CYS 40 HA CYS 40 -2.574 0.270 0.137 238 HB2 CYS 40 HB2 CYS 40 -1.734 3.145 0.406 239 HB3 CYS 40 HB1 CYS 40 -0.544 1.860 0.215 240 HA PRO 41 HA PRO 41 -0.401 1.348 4.435 241 HB2 PRO 41 HB2 PRO 41 -2.760 2.657 5.694 242 HB3 PRO 41 HB1 PRO 41 -1.040 3.005 5.894 243 HG2 PRO 41 HG2 PRO 41 -2.599 4.607 4.442 244 HG3 PRO 41 HG1 PRO 41 -0.931 4.259 3.951 245 HD2 PRO 41 HD2 PRO 41 -3.492 3.197 2.851 246 HD3 PRO 41 HD1 PRO 41 -1.982 3.596 2.015 247 H SER 42 HN SER 42 -0.400 -0.550 5.460 248 HA SER 42 HA SER 42 -2.909 -1.611 6.524 249 HB2 SER 42 HB2 SER 42 -2.271 -2.593 4.195 250 HB3 SER 42 HB1 SER 42 -1.042 -3.481 5.094 251 HG SER 42 HG SER 42 -3.844 -3.531 5.551 252 H LYS 43 HN LYS 43 -2.657 -3.067 8.264 253 HA LYS 43 HA LYS 43 -0.432 -2.525 9.932 254 HB2 LYS 43 HB2 LYS 43 -2.638 -4.576 10.156 255 HB3 LYS 43 HB1 LYS 43 -1.447 -4.279 11.415 256 HG2 LYS 43 HG2 LYS 43 -3.358 -2.217 10.335 257 HG3 LYS 43 HG1 LYS 43 -3.595 -3.143 11.818 258 HD2 LYS 43 HD2 LYS 43 -1.557 -2.188 12.755 259 HD3 LYS 43 HD1 LYS 43 -1.279 -1.290 11.262 260 HE2 LYS 43 HE2 LYS 43 -3.835 -0.967 12.790 261 HE3 LYS 43 HE1 LYS 43 -2.384 -0.088 13.270 262 HZ1 LYS 43 HZ1 LYS 43 -3.908 1.117 11.719 263 HZ2 LYS 43 HZ2 LYS 43 -3.487 -0.001 10.522 264 HZ3 LYS 43 HZ3 LYS 43 -2.304 1.003 11.192 265 H THR 44 HN THR 44 1.532 -3.245 9.395 266 HA THR 44 HA THR 44 2.159 -5.994 9.537 267 HB THR 44 HB THR 44 3.146 -5.794 7.022 268 HG1 THR 44 HG1 THR 44 1.434 -4.958 5.736 269 HG21 THR 44 HG21 THR 44 0.994 -7.204 8.260 270 HG22 THR 44 HG22 THR 44 2.020 -7.687 6.910 271 HG23 THR 44 HG23 THR 44 0.550 -6.759 6.613 272 H GLU 45 HN GLU 45 3.124 -2.820 8.324 273 HA GLU 45 HA GLU 45 5.029 -1.607 8.593 274 HB2 GLU 45 HB2 GLU 45 5.946 -3.677 10.585 275 HB3 GLU 45 HB1 GLU 45 6.412 -1.984 10.494 276 HG2 GLU 45 HG2 GLU 45 4.032 -1.401 11.020 277 HG3 GLU 45 HG1 GLU 45 3.756 -3.114 11.331 278 H GLN 46 HN GLN 46 6.412 -1.582 6.961 279 HA GLN 46 HA GLN 46 7.481 -3.988 5.832 280 HB2 GLN 46 HB2 GLN 46 8.714 -2.369 4.332 281 HB3 GLN 46 HB1 GLN 46 6.960 -2.249 4.303 282 HG2 GLN 46 HG2 GLN 46 6.959 -0.169 5.133 283 HG3 GLN 46 HG1 GLN 46 8.275 -0.507 6.258 284 HE21 GLN 46 HE21 GLN 46 7.745 1.742 4.372 285 HE22 GLN 46 HE22 GLN 46 9.182 1.874 3.423 286 HA PRO 47 HA PRO 47 10.955 -4.324 8.659 287 HB2 PRO 47 HB2 PRO 47 12.017 -5.842 6.318 288 HB3 PRO 47 HB1 PRO 47 11.985 -6.289 8.028 289 HG2 PRO 47 HG2 PRO 47 10.257 -7.368 6.318 290 HG3 PRO 47 HG1 PRO 47 9.752 -6.918 7.957 291 HD2 PRO 47 HD2 PRO 47 9.202 -5.558 5.362 292 HD3 PRO 47 HD1 PRO 47 8.181 -5.689 6.808 293 H ASP 48 HN ASP 48 13.060 -3.513 8.798 294 HA ASP 48 HA ASP 48 14.583 -2.556 6.642 295 HB2 ASP 48 HB2 ASP 48 12.568 -0.923 6.718 296 HB3 ASP 48 HB1 ASP 48 13.347 -0.271 8.157 297 H PHE 49 HN PHE 49 15.785 -3.918 8.265 298 HA PHE 49 HA PHE 49 17.475 -2.218 9.812 299 HB2 PHE 49 HB2 PHE 49 15.251 -3.432 11.141 300 HB3 PHE 49 HB1 PHE 49 16.738 -4.156 11.745 301 HD1 PHE 49 HD2 PHE 49 14.764 -1.093 11.496 302 HD2 PHE 49 HD1 PHE 49 18.358 -2.838 12.962 303 HE1 PHE 49 HE2 PHE 49 15.122 0.866 12.940 304 HE2 PHE 49 HE1 PHE 49 18.722 -0.882 14.410 305 HZ PHE 49 HZ PHE 49 17.102 0.975 14.399 306 HA PRO 50 HA PRO 50 19.064 -6.827 10.271 307 HB2 PRO 50 HB2 PRO 50 17.554 -8.567 8.698 308 HB3 PRO 50 HB1 PRO 50 17.470 -8.436 10.457 309 HG2 PRO 50 HG2 PRO 50 15.703 -7.224 8.377 310 HG3 PRO 50 HG1 PRO 50 15.278 -7.893 9.964 311 HD2 PRO 50 HD2 PRO 50 15.397 -5.250 9.565 312 HD3 PRO 50 HD1 PRO 50 15.950 -5.972 11.089 313 H TRP 51 HN TRP 51 20.575 -5.668 8.957 314 HA TRP 51 HA TRP 51 20.492 -6.447 6.123 315 HB2 TRP 51 HB2 TRP 51 20.547 -3.875 7.184 316 HB3 TRP 51 HB1 TRP 51 22.197 -4.180 6.664 317 HD1 TRP 51 HD1 TRP 51 18.663 -3.722 5.294 318 HE1 TRP 51 HE1 TRP 51 18.800 -3.359 2.750 319 HE3 TRP 51 HE3 TRP 51 23.630 -4.709 4.598 320 HZ2 TRP 51 HZ2 TRP 51 20.754 -3.475 0.717 321 HZ3 TRP 51 HZ3 TRP 51 24.554 -4.561 2.323 322 HH2 TRP 51 HH2 TRP 51 23.145 -3.957 0.423 323 H ILE 52 HN ILE 52 21.682 -7.610 8.565 324 HA ILE 52 HA ILE 52 24.541 -7.491 8.062 325 HB ILE 52 HB ILE 52 22.906 -8.889 10.177 326 HG12 ILE 52 HG12 ILE 52 24.068 -7.391 11.700 327 HG13 ILE 52 HG11 ILE 52 25.055 -6.768 10.384 328 HG21 ILE 52 HG21 ILE 52 25.189 -9.457 11.170 329 HG22 ILE 52 HG22 ILE 52 25.830 -9.172 9.552 330 HG23 ILE 52 HG23 ILE 52 24.630 -10.437 9.815 331 HD11 ILE 52 HD11 ILE 52 22.067 -6.501 10.460 332 HD12 ILE 52 HD12 ILE 52 23.208 -5.669 9.404 333 HD13 ILE 52 HD13 ILE 52 23.170 -5.297 11.127 334 H TRP 53 HN TRP 53 25.681 -8.973 6.978 335 HA TRP 53 HA TRP 53 26.185 -10.774 5.684 336 HB2 TRP 53 HB2 TRP 53 25.224 -11.803 8.016 337 HB3 TRP 53 HB1 TRP 53 24.137 -12.548 6.849 338 HD1 TRP 53 HD1 TRP 53 27.631 -12.772 8.206 339 HE1 TRP 53 HE1 TRP 53 28.888 -14.695 7.046 340 HE3 TRP 53 HE3 TRP 53 24.301 -13.775 4.459 341 HZ2 TRP 53 HZ2 TRP 53 28.517 -16.410 4.834 342 HZ3 TRP 53 HZ3 TRP 53 24.827 -15.572 2.863 343 HH2 TRP 53 HH2 TRP 53 26.892 -16.861 3.047 344 H VAL 54 HN VAL 54 25.529 -10.212 3.673 345 HA VAL 54 HA VAL 54 22.883 -11.180 2.837 346 HB VAL 54 HB VAL 54 24.089 -8.599 1.840 347 HG11 VAL 54 HG11 VAL 54 22.238 -8.345 0.522 348 HG12 VAL 54 HG12 VAL 54 21.217 -9.324 1.575 349 HG13 VAL 54 HG13 VAL 54 22.382 -10.102 0.505 350 HG21 VAL 54 HG21 VAL 54 21.726 -8.826 3.683 351 HG22 VAL 54 HG22 VAL 54 22.637 -7.384 3.238 352 HG23 VAL 54 HG23 VAL 54 23.370 -8.603 4.281 Start of MODEL 18 1 H1 SER 5 HT1 SER 5 -15.032 -12.348 -3.313 2 H2 SER 5 HT2 SER 5 -15.739 -11.041 -4.171 3 H3 SER 5 HT3 SER 5 -16.732 -12.127 -3.288 4 HA SER 5 HA SER 5 -16.579 -10.209 -2.027 5 HB2 SER 5 HB2 SER 5 -14.465 -11.856 -0.715 6 HB3 SER 5 HB1 SER 5 -15.963 -11.210 -0.045 7 HG SER 5 HG SER 5 -15.523 -13.650 -0.905 8 H GLN 6 HN GLN 6 -15.363 -8.532 -1.033 9 HA GLN 6 HA GLN 6 -12.933 -7.875 -2.517 10 HB2 GLN 6 HB2 GLN 6 -14.964 -6.301 -0.995 11 HB3 GLN 6 HB1 GLN 6 -13.346 -5.636 -1.174 12 HG2 GLN 6 HG2 GLN 6 -14.592 -6.649 -3.639 13 HG3 GLN 6 HG1 GLN 6 -15.346 -5.227 -2.920 14 HE21 GLN 6 HE21 GLN 6 -11.952 -6.202 -2.990 15 HE22 GLN 6 HE22 GLN 6 -11.384 -4.809 -3.838 16 H GLY 7 HN GLY 7 -11.475 -6.315 -0.987 17 HA2 GLY 7 HA2 GLY 7 -10.384 -6.104 1.118 18 HA3 GLY 7 HA1 GLY 7 -11.052 -7.659 1.587 19 H GLU 8 HN GLU 8 -9.429 -6.975 -1.457 20 HA GLU 8 HA GLU 8 -7.089 -8.494 -0.547 21 HB2 GLU 8 HB2 GLU 8 -8.556 -8.994 -3.145 22 HB3 GLU 8 HB1 GLU 8 -7.070 -9.784 -2.635 23 HG2 GLU 8 HG2 GLU 8 -9.381 -9.976 -0.803 24 HG3 GLU 8 HG1 GLU 8 -9.480 -10.869 -2.319 25 H CYS 9 HN CYS 9 -6.997 -5.835 -0.636 26 HA CYS 9 HA CYS 9 -5.387 -5.295 -3.037 27 HB2 CYS 9 HB2 CYS 9 -7.291 -3.345 -1.722 28 HB3 CYS 9 HB1 CYS 9 -6.255 -3.003 -3.104 29 HA PRO 10 HA PRO 10 -3.226 -4.032 0.940 30 HB2 PRO 10 HB2 PRO 10 -1.700 -6.128 1.498 31 HB3 PRO 10 HB1 PRO 10 -3.422 -6.144 1.903 32 HG2 PRO 10 HG2 PRO 10 -2.010 -7.419 -0.408 33 HG3 PRO 10 HG1 PRO 10 -3.294 -8.081 0.620 34 HD2 PRO 10 HD2 PRO 10 -3.692 -6.934 -1.872 35 HD3 PRO 10 HD1 PRO 10 -4.936 -7.107 -0.620 36 H GLU 11 HN GLU 11 -1.688 -2.616 0.407 37 HA GLU 11 HA GLU 11 0.151 -1.646 -0.496 38 HB2 GLU 11 HB2 GLU 11 1.070 -3.590 0.905 39 HB3 GLU 11 HB1 GLU 11 1.368 -4.388 -0.632 40 HG2 GLU 11 HG2 GLU 11 3.393 -3.371 -0.098 41 HG3 GLU 11 HG1 GLU 11 2.658 -2.290 -1.281 42 H GLY 12 HN GLY 12 1.366 -1.268 -2.397 43 HA2 GLY 12 HA2 GLY 12 1.793 -1.294 -4.654 44 HA3 GLY 12 HA1 GLY 12 1.235 -2.958 -4.679 45 H ARG 13 HN ARG 13 -1.212 -1.198 -3.334 46 HA ARG 13 HA ARG 13 -2.396 0.041 -5.588 47 HB2 ARG 13 HB2 ARG 13 -3.118 -1.807 -6.633 48 HB3 ARG 13 HB1 ARG 13 -2.660 -2.826 -5.280 49 HG2 ARG 13 HG2 ARG 13 -4.814 -1.937 -4.178 50 HG3 ARG 13 HG1 ARG 13 -5.251 -1.477 -5.828 51 HD2 ARG 13 HD2 ARG 13 -4.206 -4.212 -5.410 52 HD3 ARG 13 HD1 ARG 13 -5.823 -3.875 -4.809 53 HE ARG 13 HE ARG 13 -6.345 -3.136 -7.133 54 HH11 ARG 13 HH11 ARG 13 -3.757 -5.419 -6.553 55 HH12 ARG 13 HH12 ARG 13 -3.854 -6.109 -8.135 56 HH21 ARG 13 HH21 ARG 13 -6.463 -4.051 -9.207 57 HH22 ARG 13 HH22 ARG 13 -5.384 -5.335 -9.640 58 H ALA 14 HN ALA 14 -4.835 0.449 -5.095 59 HA ALA 14 HA ALA 14 -5.403 0.331 -2.251 60 HB1 ALA 14 HB1 ALA 14 -6.269 2.858 -2.778 61 HB2 ALA 14 HB2 ALA 14 -4.766 2.776 -3.698 62 HB3 ALA 14 HB3 ALA 14 -4.762 2.443 -1.965 63 H TYR 15 HN TYR 15 -7.659 1.637 -1.957 64 HA TYR 15 HA TYR 15 -9.530 0.709 -4.031 65 HB2 TYR 15 HB2 TYR 15 -9.625 -0.956 -2.274 66 HB3 TYR 15 HB1 TYR 15 -9.760 0.289 -1.043 67 HD1 TYR 15 HD1 TYR 15 -11.551 -1.546 -3.668 68 HD2 TYR 15 HD2 TYR 15 -11.861 1.427 -0.638 69 HE1 TYR 15 HE1 TYR 15 -14.001 -1.667 -3.808 70 HE2 TYR 15 HE2 TYR 15 -14.313 1.311 -0.770 71 HH TYR 15 HH TYR 15 -15.945 -0.346 -3.291 72 H SER 16 HN SER 16 -10.503 2.504 -4.783 73 HA SER 16 HA SER 16 -10.903 4.757 -2.964 74 HB2 SER 16 HB2 SER 16 -11.801 5.599 -5.433 75 HB3 SER 16 HB1 SER 16 -10.173 5.848 -4.800 76 HG SER 16 HG SER 16 -9.626 4.747 -6.511 77 H GLN 17 HN GLN 17 -12.662 4.466 -1.775 78 HA GLN 17 HA GLN 17 -14.979 3.109 -2.500 79 HB2 GLN 17 HB2 GLN 17 -16.032 4.248 -0.592 80 HB3 GLN 17 HB1 GLN 17 -14.438 3.625 -0.189 81 HG2 GLN 17 HG2 GLN 17 -13.624 5.649 0.254 82 HG3 GLN 17 HG1 GLN 17 -14.401 6.375 -1.152 83 HE21 GLN 17 HE21 GLN 17 -14.355 6.225 2.169 84 HE22 GLN 17 HE22 GLN 17 -15.890 6.947 2.495 85 H ASP 18 HN ASP 18 -13.941 6.332 -3.202 86 HA ASP 18 HA ASP 18 -16.424 7.499 -3.819 87 HB2 ASP 18 HB2 ASP 18 -13.864 8.411 -3.733 88 HB3 ASP 18 HB1 ASP 18 -14.122 8.330 -5.473 89 H LEU 19 HN LEU 19 -14.052 5.826 -5.861 90 HA LEU 19 HA LEU 19 -15.802 5.907 -8.140 91 HB2 LEU 19 HB2 LEU 19 -13.013 5.448 -7.670 92 HB3 LEU 19 HB1 LEU 19 -13.668 4.121 -8.611 93 HG LEU 19 HG LEU 19 -14.335 6.879 -9.499 94 HD11 LEU 19 HD11 LEU 19 -11.838 6.731 -8.868 95 HD12 LEU 19 HD12 LEU 19 -12.277 7.342 -10.463 96 HD13 LEU 19 HD13 LEU 19 -11.705 5.684 -10.282 97 HD21 LEU 19 HD21 LEU 19 -14.723 5.882 -11.486 98 HD22 LEU 19 HD22 LEU 19 -14.870 4.437 -10.486 99 HD23 LEU 19 HD23 LEU 19 -13.356 4.779 -11.325 100 H GLY 20 HN GLY 20 -14.933 3.712 -5.619 101 HA2 GLY 20 HA2 GLY 20 -16.042 1.794 -4.938 102 HA3 GLY 20 HA1 GLY 20 -17.088 1.941 -6.342 103 H LYS 21 HN LYS 21 -13.552 1.597 -6.047 104 HA LYS 21 HA LYS 21 -13.529 -1.107 -6.910 105 HB2 LYS 21 HB2 LYS 21 -12.459 -0.713 -9.130 106 HB3 LYS 21 HB1 LYS 21 -14.149 -0.233 -9.059 107 HG2 LYS 21 HG2 LYS 21 -13.472 2.101 -8.782 108 HG3 LYS 21 HG1 LYS 21 -11.778 1.614 -8.868 109 HD2 LYS 21 HD2 LYS 21 -13.836 1.228 -11.043 110 HD3 LYS 21 HD1 LYS 21 -12.588 2.477 -11.018 111 HE2 LYS 21 HE2 LYS 21 -11.490 0.942 -12.277 112 HE3 LYS 21 HE1 LYS 21 -11.032 0.338 -10.685 113 HZ1 LYS 21 HZ1 LYS 21 -13.252 -1.008 -10.991 114 HZ2 LYS 21 HZ2 LYS 21 -11.790 -1.568 -11.630 115 HZ3 LYS 21 HZ3 LYS 21 -12.904 -0.784 -12.632 116 H CYS 22 HN CYS 22 -11.276 -1.851 -7.418 117 HA CYS 22 HA CYS 22 -9.404 -0.386 -5.705 118 HB2 CYS 22 HB2 CYS 22 -9.853 -3.225 -6.335 119 HB3 CYS 22 HB1 CYS 22 -8.159 -2.751 -6.279 120 H MET 23 HN MET 23 -7.861 0.797 -6.606 121 HA MET 23 HA MET 23 -6.941 0.093 -9.301 122 HB2 MET 23 HB2 MET 23 -7.721 2.182 -9.755 123 HB3 MET 23 HB1 MET 23 -7.703 2.663 -8.065 124 HG2 MET 23 HG2 MET 23 -5.270 2.952 -8.217 125 HG3 MET 23 HG1 MET 23 -5.359 2.593 -9.937 126 HE1 MET 23 HE1 MET 23 -7.299 3.563 -11.218 127 HE2 MET 23 HE2 MET 23 -6.872 5.209 -11.687 128 HE3 MET 23 HE3 MET 23 -8.281 4.921 -10.668 129 H GLU 24 HN GLU 24 -4.628 0.628 -9.681 130 HA GLU 24 HA GLU 24 -3.022 -0.457 -7.638 131 HB2 GLU 24 HB2 GLU 24 -1.133 0.054 -9.094 132 HB3 GLU 24 HB1 GLU 24 -2.446 -0.681 -10.013 133 HG2 GLU 24 HG2 GLU 24 -3.083 1.856 -10.369 134 HG3 GLU 24 HG1 GLU 24 -1.360 2.063 -10.067 135 H CYS 25 HN CYS 25 -1.090 0.500 -6.815 136 HA CYS 25 HA CYS 25 -1.602 3.124 -5.684 137 HB2 CYS 25 HB2 CYS 25 -0.496 0.891 -4.602 138 HB3 CYS 25 HB1 CYS 25 0.954 1.770 -5.068 139 H SER 26 HN SER 26 0.442 1.576 -8.031 140 HA SER 26 HA SER 26 2.506 3.387 -8.317 141 HB2 SER 26 HB2 SER 26 1.099 1.507 -10.134 142 HB3 SER 26 HB1 SER 26 2.041 2.779 -10.912 143 HG SER 26 HG SER 26 3.410 1.075 -10.575 144 H VAL 27 HN VAL 27 -0.868 3.701 -9.036 145 HA VAL 27 HA VAL 27 -0.815 5.836 -10.854 146 HB VAL 27 HB VAL 27 -2.855 5.152 -8.736 147 HG11 VAL 27 HG11 VAL 27 -2.667 7.480 -10.444 148 HG12 VAL 27 HG12 VAL 27 -3.789 7.136 -9.128 149 HG13 VAL 27 HG13 VAL 27 -4.140 6.561 -10.759 150 HG21 VAL 27 HG21 VAL 27 -2.188 3.778 -11.000 151 HG22 VAL 27 HG22 VAL 27 -3.518 4.791 -11.563 152 HG23 VAL 27 HG23 VAL 27 -3.753 3.707 -10.192 153 H CYS 28 HN CYS 28 -0.375 5.741 -7.412 154 HA CYS 28 HA CYS 28 0.274 8.575 -7.443 155 HB2 CYS 28 HB2 CYS 28 -0.994 9.087 -5.570 156 HB3 CYS 28 HB1 CYS 28 -2.030 7.947 -6.416 157 H LYS 29 HN LYS 29 2.202 9.042 -6.585 158 HA LYS 29 HA LYS 29 3.334 7.381 -4.497 159 HB2 LYS 29 HB2 LYS 29 5.524 7.261 -5.891 160 HB3 LYS 29 HB1 LYS 29 4.245 6.096 -6.198 161 HG2 LYS 29 HG2 LYS 29 4.198 6.694 -8.324 162 HG3 LYS 29 HG1 LYS 29 3.791 8.347 -7.865 163 HD2 LYS 29 HD2 LYS 29 6.289 8.669 -7.458 164 HD3 LYS 29 HD1 LYS 29 6.509 7.145 -8.320 165 HE2 LYS 29 HE2 LYS 29 4.853 9.295 -9.557 166 HE3 LYS 29 HE1 LYS 29 6.610 9.437 -9.592 167 HZ1 LYS 29 HZ1 LYS 29 4.892 7.411 -10.863 168 HZ2 LYS 29 HZ2 LYS 29 6.499 7.039 -10.493 169 HZ3 LYS 29 HZ3 LYS 29 6.148 8.321 -11.539 170 H ASN 30 HN ASN 30 4.062 9.984 -6.820 171 HA ASN 30 HA ASN 30 5.632 11.353 -4.771 172 HB2 ASN 30 HB2 ASN 30 5.955 11.091 -7.516 173 HB3 ASN 30 HB1 ASN 30 5.368 12.740 -7.324 174 HD21 ASN 30 HD21 ASN 30 6.467 13.852 -5.344 175 HD22 ASN 30 HD22 ASN 30 8.191 13.728 -5.319 176 H SER 31 HN SER 31 3.060 12.189 -7.097 177 HA SER 31 HA SER 31 2.257 14.400 -5.352 178 HB2 SER 31 HB2 SER 31 1.661 13.728 -8.232 179 HB3 SER 31 HB1 SER 31 0.759 14.965 -7.358 180 HG SER 31 HG SER 31 2.935 15.856 -6.875 181 H GLU 32 HN GLU 32 1.606 12.271 -4.040 182 HA GLU 32 HA GLU 32 -0.686 10.835 -4.653 183 HB2 GLU 32 HB2 GLU 32 0.904 10.439 -2.733 184 HB3 GLU 32 HB1 GLU 32 0.083 11.738 -1.878 185 HG2 GLU 32 HG2 GLU 32 -1.974 10.514 -1.866 186 HG3 GLU 32 HG1 GLU 32 -1.285 9.263 -2.900 187 H LYS 33 HN LYS 33 -2.512 11.764 -5.352 188 HA LYS 33 HA LYS 33 -3.772 13.751 -3.597 189 HB2 LYS 33 HB2 LYS 33 -4.670 14.872 -5.668 190 HB3 LYS 33 HB1 LYS 33 -2.943 15.065 -5.403 191 HG2 LYS 33 HG2 LYS 33 -2.871 12.901 -6.953 192 HG3 LYS 33 HG1 LYS 33 -4.386 13.601 -7.527 193 HD2 LYS 33 HD2 LYS 33 -1.889 15.248 -7.276 194 HD3 LYS 33 HD1 LYS 33 -2.219 14.286 -8.718 195 HE2 LYS 33 HE2 LYS 33 -4.332 16.116 -7.682 196 HE3 LYS 33 HE1 LYS 33 -2.968 16.800 -8.566 197 HZ1 LYS 33 HZ1 LYS 33 -5.075 14.987 -9.518 198 HZ2 LYS 33 HZ2 LYS 33 -3.560 14.953 -10.269 199 HZ3 LYS 33 HZ3 LYS 33 -4.457 16.387 -10.241 200 H SER 34 HN SER 34 -4.193 10.953 -3.684 201 HA SER 34 HA SER 34 -6.930 10.826 -4.767 202 HB2 SER 34 HB2 SER 34 -5.414 8.334 -4.182 203 HB3 SER 34 HB1 SER 34 -6.625 8.643 -5.423 204 HG SER 34 HG SER 34 -5.102 9.672 -6.648 205 H ASP 35 HN ASP 35 -8.431 9.475 -3.545 206 HA ASP 35 HA ASP 35 -8.042 9.861 -0.684 207 HB2 ASP 35 HB2 ASP 35 -10.528 8.858 -2.077 208 HB3 ASP 35 HB1 ASP 35 -10.402 9.548 -0.461 209 H PHE 36 HN PHE 36 -7.641 7.384 -2.933 210 HA PHE 36 HA PHE 36 -8.221 5.297 -0.974 211 HB2 PHE 36 HB2 PHE 36 -8.352 3.772 -2.723 212 HB3 PHE 36 HB1 PHE 36 -9.067 5.230 -3.389 213 HD1 PHE 36 HD1 PHE 36 -6.429 6.687 -3.953 214 HD2 PHE 36 HD2 PHE 36 -7.754 2.713 -4.706 215 HE1 PHE 36 HE1 PHE 36 -4.878 6.530 -5.853 216 HE2 PHE 36 HE2 PHE 36 -6.205 2.551 -6.599 217 HZ PHE 36 HZ PHE 36 -4.766 4.459 -7.180 218 H CYS 37 HN CYS 37 -5.508 6.978 -2.161 219 HA CYS 37 HA CYS 37 -3.584 4.935 -2.055 220 HB2 CYS 37 HB2 CYS 37 -3.243 7.853 -1.324 221 HB3 CYS 37 HB1 CYS 37 -1.935 6.726 -1.669 222 H GLN 38 HN GLN 38 -5.649 5.782 0.341 223 HA GLN 38 HA GLN 38 -3.768 5.435 2.523 224 HB2 GLN 38 HB2 GLN 38 -6.606 5.411 3.209 225 HB3 GLN 38 HB1 GLN 38 -5.319 6.437 3.826 226 HG2 GLN 38 HG2 GLN 38 -5.527 7.822 1.780 227 HG3 GLN 38 HG1 GLN 38 -6.906 6.831 1.306 228 HE21 GLN 38 HE21 GLN 38 -7.889 9.036 1.336 229 HE22 GLN 38 HE22 GLN 38 -8.587 9.575 2.822 230 H ASN 39 HN ASN 39 -5.603 3.568 0.438 231 HA ASN 39 HA ASN 39 -6.155 1.425 2.301 232 HB2 ASN 39 HB2 ASN 39 -7.301 2.133 -0.056 233 HB3 ASN 39 HB1 ASN 39 -6.229 0.842 -0.587 234 HD21 ASN 39 HD21 ASN 39 -9.053 1.661 1.203 235 HD22 ASN 39 HD22 ASN 39 -9.573 0.048 1.536 236 H CYS 40 HN CYS 40 -3.925 2.150 -0.268 237 HA CYS 40 HA CYS 40 -2.507 -0.040 -0.777 238 HB2 CYS 40 HB2 CYS 40 -1.502 2.737 -0.202 239 HB3 CYS 40 HB1 CYS 40 -0.436 1.465 -0.788 240 HA PRO 41 HA PRO 41 0.202 0.333 3.293 241 HB2 PRO 41 HB2 PRO 41 -1.795 1.602 5.080 242 HB3 PRO 41 HB1 PRO 41 -0.053 1.875 4.964 243 HG2 PRO 41 HG2 PRO 41 -1.793 3.670 4.027 244 HG3 PRO 41 HG1 PRO 41 -0.267 3.341 3.186 245 HD2 PRO 41 HD2 PRO 41 -3.032 2.420 2.523 246 HD3 PRO 41 HD1 PRO 41 -1.732 2.949 1.443 247 H SER 42 HN SER 42 -0.019 -1.843 3.485 248 HA SER 42 HA SER 42 -2.459 -3.135 4.166 249 HB2 SER 42 HB2 SER 42 -0.236 -4.019 2.987 250 HB3 SER 42 HB1 SER 42 0.143 -4.511 4.637 251 HG SER 42 HG SER 42 -1.362 -5.992 4.546 252 H LYS 43 HN LYS 43 0.606 -3.132 5.991 253 HA LYS 43 HA LYS 43 -0.450 -2.186 8.400 254 HB2 LYS 43 HB2 LYS 43 -1.332 -4.771 7.889 255 HB3 LYS 43 HB1 LYS 43 0.020 -5.002 8.989 256 HG2 LYS 43 HG2 LYS 43 -1.781 -2.862 9.812 257 HG3 LYS 43 HG1 LYS 43 -2.560 -4.443 9.712 258 HD2 LYS 43 HD2 LYS 43 -0.632 -5.339 11.079 259 HD3 LYS 43 HD1 LYS 43 -0.155 -3.662 11.347 260 HE2 LYS 43 HE2 LYS 43 -2.336 -3.202 12.354 261 HE3 LYS 43 HE1 LYS 43 -2.819 -4.874 12.077 262 HZ1 LYS 43 HZ1 LYS 43 -0.358 -4.423 13.581 263 HZ2 LYS 43 HZ2 LYS 43 -1.533 -5.626 13.767 264 HZ3 LYS 43 HZ3 LYS 43 -1.816 -4.069 14.364 265 H THR 44 HN THR 44 1.091 -2.145 10.091 266 HA THR 44 HA THR 44 3.770 -2.020 9.237 267 HB THR 44 HB THR 44 2.951 -0.656 11.078 268 HG1 THR 44 HG1 THR 44 4.913 -2.508 11.952 269 HG21 THR 44 HG21 THR 44 1.975 -1.377 12.953 270 HG22 THR 44 HG22 THR 44 3.025 -2.787 13.084 271 HG23 THR 44 HG23 THR 44 1.632 -2.822 12.004 272 H GLU 45 HN GLU 45 4.230 -4.070 8.325 273 HA GLU 45 HA GLU 45 4.862 -6.115 10.342 274 HB2 GLU 45 HB2 GLU 45 3.915 -6.772 7.554 275 HB3 GLU 45 HB1 GLU 45 4.139 -7.877 8.904 276 HG2 GLU 45 HG2 GLU 45 2.310 -6.621 10.089 277 HG3 GLU 45 HG1 GLU 45 2.007 -5.789 8.564 278 H GLN 46 HN GLN 46 6.931 -4.832 10.125 279 HA GLN 46 HA GLN 46 8.460 -5.468 7.724 280 HB2 GLN 46 HB2 GLN 46 9.317 -3.850 10.128 281 HB3 GLN 46 HB1 GLN 46 10.127 -3.933 8.570 282 HG2 GLN 46 HG2 GLN 46 8.420 -2.720 7.499 283 HG3 GLN 46 HG1 GLN 46 7.324 -2.910 8.867 284 HE21 GLN 46 HE21 GLN 46 7.436 -0.465 8.151 285 HE22 GLN 46 HE22 GLN 46 8.484 0.503 9.126 286 HA PRO 47 HA PRO 47 10.467 -8.937 9.607 287 HB2 PRO 47 HB2 PRO 47 12.816 -8.404 7.932 288 HB3 PRO 47 HB1 PRO 47 11.696 -9.767 7.887 289 HG2 PRO 47 HG2 PRO 47 11.763 -7.896 5.948 290 HG3 PRO 47 HG1 PRO 47 10.264 -8.713 6.427 291 HD2 PRO 47 HD2 PRO 47 11.253 -5.982 7.160 292 HD3 PRO 47 HD1 PRO 47 9.614 -6.507 6.721 293 H ASP 48 HN ASP 48 10.656 -6.945 11.369 294 HA ASP 48 HA ASP 48 11.914 -5.965 12.996 295 HB2 ASP 48 HB2 ASP 48 13.708 -8.340 12.448 296 HB3 ASP 48 HB1 ASP 48 13.719 -7.355 13.908 297 H PHE 49 HN PHE 49 12.345 -4.886 10.448 298 HA PHE 49 HA PHE 49 15.233 -4.407 10.319 299 HB2 PHE 49 HB2 PHE 49 13.162 -4.621 8.357 300 HB3 PHE 49 HB1 PHE 49 13.872 -3.014 8.250 301 HD1 PHE 49 HD1 PHE 49 14.812 -6.609 8.404 302 HD2 PHE 49 HD2 PHE 49 15.833 -2.701 7.066 303 HE1 PHE 49 HE1 PHE 49 16.714 -7.540 7.151 304 HE2 PHE 49 HE2 PHE 49 17.736 -3.624 5.810 305 HZ PHE 49 HZ PHE 49 18.178 -6.046 5.851 306 HA PRO 50 HA PRO 50 14.042 -0.601 12.530 307 HB2 PRO 50 HB2 PRO 50 16.502 -0.088 13.527 308 HB3 PRO 50 HB1 PRO 50 15.412 -1.273 14.258 309 HG2 PRO 50 HG2 PRO 50 17.720 -1.714 12.401 310 HG3 PRO 50 HG1 PRO 50 17.279 -2.608 13.868 311 HD2 PRO 50 HD2 PRO 50 16.697 -3.503 11.374 312 HD3 PRO 50 HD1 PRO 50 15.671 -3.847 12.782 313 H TRP 51 HN TRP 51 14.039 -0.207 9.948 314 HA TRP 51 HA TRP 51 14.517 1.249 8.270 315 HB2 TRP 51 HB2 TRP 51 14.993 2.676 10.738 316 HB3 TRP 51 HB1 TRP 51 16.070 3.256 9.472 317 HD1 TRP 51 HD1 TRP 51 14.924 4.396 7.314 318 HE1 TRP 51 HE1 TRP 51 12.623 5.507 7.004 319 HE3 TRP 51 HE3 TRP 51 12.568 2.557 11.463 320 HZ2 TRP 51 HZ2 TRP 51 10.139 5.593 8.341 321 HZ3 TRP 51 HZ3 TRP 51 10.230 3.204 11.875 322 HH2 TRP 51 HH2 TRP 51 9.042 4.690 10.346 323 H ILE 52 HN ILE 52 16.467 2.569 7.271 324 HA ILE 52 HA ILE 52 18.707 0.685 7.195 325 HB ILE 52 HB ILE 52 17.795 2.829 5.279 326 HG12 ILE 52 HG12 ILE 52 17.529 0.976 3.731 327 HG13 ILE 52 HG11 ILE 52 18.227 -0.142 4.897 328 HG21 ILE 52 HG21 ILE 52 19.706 2.122 3.836 329 HG22 ILE 52 HG22 ILE 52 20.359 1.244 5.219 330 HG23 ILE 52 HG23 ILE 52 20.182 2.998 5.291 331 HD11 ILE 52 HD11 ILE 52 16.338 0.010 6.305 332 HD12 ILE 52 HD12 ILE 52 15.732 -0.211 4.663 333 HD13 ILE 52 HD13 ILE 52 15.695 1.387 5.408 334 H TRP 53 HN TRP 53 20.887 1.446 7.186 335 HA TRP 53 HA TRP 53 21.389 4.162 8.094 336 HB2 TRP 53 HB2 TRP 53 21.849 1.720 9.780 337 HB3 TRP 53 HB1 TRP 53 22.879 3.137 9.965 338 HD1 TRP 53 HD1 TRP 53 20.756 5.437 9.790 339 HE1 TRP 53 HE1 TRP 53 19.014 5.745 11.659 340 HE3 TRP 53 HE3 TRP 53 20.861 0.730 11.782 341 HZ2 TRP 53 HZ2 TRP 53 17.839 4.198 13.708 342 HZ3 TRP 53 HZ3 TRP 53 19.398 0.226 13.696 343 HH2 TRP 53 HH2 TRP 53 17.919 1.925 14.637 344 H VAL 54 HN VAL 54 23.703 4.682 8.134 345 HA VAL 54 HA VAL 54 25.426 2.824 6.679 346 HB VAL 54 HB VAL 54 24.382 4.222 4.944 347 HG11 VAL 54 HG11 VAL 54 25.678 6.542 6.370 348 HG12 VAL 54 HG12 VAL 54 23.948 6.205 6.320 349 HG13 VAL 54 HG13 VAL 54 24.811 6.613 4.836 350 HG21 VAL 54 HG21 VAL 54 27.264 4.164 5.496 351 HG22 VAL 54 HG22 VAL 54 26.759 5.380 4.324 352 HG23 VAL 54 HG23 VAL 54 26.372 3.681 4.053 Start of MODEL 19 1 H1 SER 5 HT1 SER 5 -17.206 -4.471 -1.000 2 H2 SER 5 HT2 SER 5 -18.441 -5.432 -1.705 3 H3 SER 5 HT3 SER 5 -16.863 -6.073 -1.501 4 HA SER 5 HA SER 5 -18.901 -5.483 0.516 5 HB2 SER 5 HB2 SER 5 -17.186 -7.909 -0.082 6 HB3 SER 5 HB1 SER 5 -18.486 -7.821 1.107 7 HG SER 5 HG SER 5 -19.871 -7.283 -0.740 8 H GLN 6 HN GLN 6 -15.452 -5.871 -0.076 9 HA GLN 6 HA GLN 6 -14.819 -4.443 2.336 10 HB2 GLN 6 HB2 GLN 6 -15.135 -6.703 3.236 11 HB3 GLN 6 HB1 GLN 6 -13.975 -7.334 2.075 12 HG2 GLN 6 HG2 GLN 6 -12.207 -6.654 3.273 13 HG3 GLN 6 HG1 GLN 6 -12.980 -5.144 3.754 14 HE21 GLN 6 HE21 GLN 6 -15.166 -5.892 5.073 15 HE22 GLN 6 HE22 GLN 6 -14.768 -6.835 6.465 16 H GLY 7 HN GLY 7 -12.736 -3.603 2.327 17 HA2 GLY 7 HA2 GLY 7 -11.523 -3.300 -0.213 18 HA3 GLY 7 HA1 GLY 7 -10.850 -2.762 1.319 19 H GLU 8 HN GLU 8 -10.841 -5.215 -1.110 20 HA GLU 8 HA GLU 8 -8.734 -6.657 0.354 21 HB2 GLU 8 HB2 GLU 8 -9.319 -8.637 -0.886 22 HB3 GLU 8 HB1 GLU 8 -10.782 -7.974 -0.169 23 HG2 GLU 8 HG2 GLU 8 -11.753 -7.793 -2.146 24 HG3 GLU 8 HG1 GLU 8 -10.386 -6.894 -2.799 25 H CYS 9 HN CYS 9 -8.187 -4.289 -1.063 26 HA CYS 9 HA CYS 9 -6.450 -5.357 -3.180 27 HB2 CYS 9 HB2 CYS 9 -8.471 -3.198 -3.351 28 HB3 CYS 9 HB1 CYS 9 -6.933 -2.885 -4.148 29 HA PRO 10 HA PRO 10 -4.238 -2.339 -0.316 30 HB2 PRO 10 HB2 PRO 10 -3.343 -3.809 1.692 31 HB3 PRO 10 HB1 PRO 10 -5.037 -3.299 1.657 32 HG2 PRO 10 HG2 PRO 10 -3.842 -5.949 0.935 33 HG3 PRO 10 HG1 PRO 10 -5.314 -5.602 1.859 34 HD2 PRO 10 HD2 PRO 10 -5.239 -6.238 -0.845 35 HD3 PRO 10 HD1 PRO 10 -6.576 -5.411 -0.023 36 H GLU 11 HN GLU 11 -1.895 -2.513 0.523 37 HA GLU 11 HA GLU 11 0.293 -2.688 -0.012 38 HB2 GLU 11 HB2 GLU 11 -0.528 -5.101 0.739 39 HB3 GLU 11 HB1 GLU 11 -0.059 -5.498 -0.908 40 HG2 GLU 11 HG2 GLU 11 2.001 -3.934 0.300 41 HG3 GLU 11 HG1 GLU 11 1.580 -5.271 1.370 42 H GLY 12 HN GLY 12 1.213 -1.730 -1.641 43 HA2 GLY 12 HA2 GLY 12 1.926 -1.255 -3.766 44 HA3 GLY 12 HA1 GLY 12 1.526 -2.914 -4.183 45 H ARG 13 HN ARG 13 -1.215 -1.497 -2.926 46 HA ARG 13 HA ARG 13 -2.103 -0.035 -5.222 47 HB2 ARG 13 HB2 ARG 13 -2.371 -2.049 -6.349 48 HB3 ARG 13 HB1 ARG 13 -2.802 -2.924 -4.890 49 HG2 ARG 13 HG2 ARG 13 -4.851 -1.178 -5.024 50 HG3 ARG 13 HG1 ARG 13 -4.481 -1.398 -6.739 51 HD2 ARG 13 HD2 ARG 13 -4.908 -3.644 -4.786 52 HD3 ARG 13 HD1 ARG 13 -6.161 -3.002 -5.847 53 HE ARG 13 HE ARG 13 -5.020 -3.900 -7.706 54 HH11 ARG 13 HH11 ARG 13 -3.495 -4.732 -4.669 55 HH12 ARG 13 HH12 ARG 13 -2.576 -6.029 -5.352 56 HH21 ARG 13 HH21 ARG 13 -3.812 -5.607 -8.591 57 HH22 ARG 13 HH22 ARG 13 -2.753 -6.526 -7.573 58 H ALA 14 HN ALA 14 -4.280 0.770 -4.945 59 HA ALA 14 HA ALA 14 -5.259 0.529 -2.200 60 HB1 ALA 14 HB1 ALA 14 -4.632 2.701 -2.186 61 HB2 ALA 14 HB2 ALA 14 -6.252 2.888 -2.846 62 HB3 ALA 14 HB3 ALA 14 -4.857 2.891 -3.922 63 H TYR 15 HN TYR 15 -7.599 1.273 -2.000 64 HA TYR 15 HA TYR 15 -9.228 0.388 -4.275 65 HB2 TYR 15 HB2 TYR 15 -9.160 -1.487 -2.742 66 HB3 TYR 15 HB1 TYR 15 -9.555 -0.439 -1.385 67 HD1 TYR 15 HD2 TYR 15 -11.837 0.488 -1.162 68 HD2 TYR 15 HD1 TYR 15 -10.870 -2.327 -4.203 69 HE1 TYR 15 HE2 TYR 15 -14.230 0.039 -1.503 70 HE2 TYR 15 HE1 TYR 15 -13.260 -2.781 -4.551 71 HH TYR 15 HH TYR 15 -15.436 -2.532 -2.925 72 H SER 16 HN SER 16 -10.509 2.029 -4.866 73 HA SER 16 HA SER 16 -11.144 4.100 -2.911 74 HB2 SER 16 HB2 SER 16 -12.246 4.924 -5.302 75 HB3 SER 16 HB1 SER 16 -10.642 5.356 -4.712 76 HG SER 16 HG SER 16 -10.350 4.505 -6.721 77 H GLN 17 HN GLN 17 -13.039 4.241 -1.935 78 HA GLN 17 HA GLN 17 -15.132 2.399 -2.528 79 HB2 GLN 17 HB2 GLN 17 -14.543 4.377 -0.427 80 HB3 GLN 17 HB1 GLN 17 -16.253 4.134 -0.755 81 HG2 GLN 17 HG2 GLN 17 -15.057 1.581 -0.611 82 HG3 GLN 17 HG1 GLN 17 -14.469 2.518 0.761 83 HE21 GLN 17 HE21 GLN 17 -15.629 2.160 2.498 84 HE22 GLN 17 HE22 GLN 17 -17.340 1.933 2.560 85 H ASP 18 HN ASP 18 -14.439 5.705 -3.266 86 HA ASP 18 HA ASP 18 -17.040 6.554 -3.947 87 HB2 ASP 18 HB2 ASP 18 -14.392 7.531 -5.039 88 HB3 ASP 18 HB1 ASP 18 -15.928 8.385 -5.138 89 H LEU 19 HN LEU 19 -14.347 5.563 -6.066 90 HA LEU 19 HA LEU 19 -16.004 5.418 -8.372 91 HB2 LEU 19 HB2 LEU 19 -13.216 4.416 -7.826 92 HB3 LEU 19 HB1 LEU 19 -13.996 4.295 -9.393 93 HG LEU 19 HG LEU 19 -13.660 6.951 -8.029 94 HD11 LEU 19 HD11 LEU 19 -11.720 6.189 -10.111 95 HD12 LEU 19 HD12 LEU 19 -11.501 5.433 -8.533 96 HD13 LEU 19 HD13 LEU 19 -11.515 7.190 -8.674 97 HD21 LEU 19 HD21 LEU 19 -15.198 6.526 -10.039 98 HD22 LEU 19 HD22 LEU 19 -13.709 6.350 -10.966 99 HD23 LEU 19 HD23 LEU 19 -14.056 7.867 -10.138 100 H GLY 20 HN GLY 20 -15.246 3.240 -5.826 101 HA2 GLY 20 HA2 GLY 20 -16.181 1.180 -5.354 102 HA3 GLY 20 HA1 GLY 20 -17.086 1.291 -6.857 103 H LYS 21 HN LYS 21 -13.587 1.291 -6.200 104 HA LYS 21 HA LYS 21 -13.158 -1.353 -7.124 105 HB2 LYS 21 HB2 LYS 21 -11.980 -0.792 -9.235 106 HB3 LYS 21 HB1 LYS 21 -13.701 -0.444 -9.302 107 HG2 LYS 21 HG2 LYS 21 -13.034 1.512 -10.158 108 HG3 LYS 21 HG1 LYS 21 -12.737 1.944 -8.473 109 HD2 LYS 21 HD2 LYS 21 -10.707 2.486 -9.374 110 HD3 LYS 21 HD1 LYS 21 -10.406 0.797 -8.962 111 HE2 LYS 21 HE2 LYS 21 -9.614 1.010 -11.152 112 HE3 LYS 21 HE1 LYS 21 -11.202 0.262 -11.330 113 HZ1 LYS 21 HZ1 LYS 21 -12.042 2.076 -12.336 114 HZ2 LYS 21 HZ2 LYS 21 -10.424 2.381 -12.722 115 HZ3 LYS 21 HZ3 LYS 21 -11.140 3.167 -11.407 116 H CYS 22 HN CYS 22 -10.597 -1.345 -7.937 117 HA CYS 22 HA CYS 22 -9.152 0.372 -6.058 118 HB2 CYS 22 HB2 CYS 22 -7.682 -1.746 -5.626 119 HB3 CYS 22 HB1 CYS 22 -9.177 -1.518 -4.730 120 H MET 23 HN MET 23 -7.208 1.071 -6.677 121 HA MET 23 HA MET 23 -6.099 0.017 -9.180 122 HB2 MET 23 HB2 MET 23 -6.618 1.965 -10.161 123 HB3 MET 23 HB1 MET 23 -7.116 2.675 -8.635 124 HG2 MET 23 HG2 MET 23 -4.717 3.153 -8.167 125 HG3 MET 23 HG1 MET 23 -4.350 2.612 -9.803 126 HE1 MET 23 HE1 MET 23 -6.005 5.257 -12.055 127 HE2 MET 23 HE2 MET 23 -6.416 3.585 -11.679 128 HE3 MET 23 HE3 MET 23 -4.735 4.039 -11.958 129 H GLU 24 HN GLU 24 -3.786 0.369 -9.398 130 HA GLU 24 HA GLU 24 -2.320 -0.465 -7.243 131 HB2 GLU 24 HB2 GLU 24 -0.320 0.297 -8.498 132 HB3 GLU 24 HB1 GLU 24 -1.450 -0.634 -9.482 133 HG2 GLU 24 HG2 GLU 24 -2.227 2.033 -9.716 134 HG3 GLU 24 HG1 GLU 24 -0.469 2.031 -9.829 135 H CYS 25 HN CYS 25 -0.345 0.632 -6.438 136 HA CYS 25 HA CYS 25 -1.105 3.093 -5.081 137 HB2 CYS 25 HB2 CYS 25 -0.097 1.034 -3.908 138 HB3 CYS 25 HB1 CYS 25 1.420 1.496 -4.659 139 H SER 26 HN SER 26 1.220 1.839 -7.366 140 HA SER 26 HA SER 26 3.072 3.893 -7.442 141 HB2 SER 26 HB2 SER 26 2.222 1.744 -9.226 142 HB3 SER 26 HB1 SER 26 2.782 3.166 -10.107 143 HG SER 26 HG SER 26 4.680 3.070 -8.730 144 H VAL 27 HN VAL 27 -0.242 3.890 -8.383 145 HA VAL 27 HA VAL 27 -0.138 6.030 -10.243 146 HB VAL 27 HB VAL 27 -2.379 4.876 -8.598 147 HG11 VAL 27 HG11 VAL 27 -3.500 6.795 -8.847 148 HG12 VAL 27 HG12 VAL 27 -3.598 6.380 -10.559 149 HG13 VAL 27 HG13 VAL 27 -2.314 7.439 -9.983 150 HG21 VAL 27 HG21 VAL 27 -1.240 3.797 -10.707 151 HG22 VAL 27 HG22 VAL 27 -2.282 4.926 -11.573 152 HG23 VAL 27 HG23 VAL 27 -2.989 3.732 -10.486 153 H CYS 28 HN CYS 28 -0.242 5.858 -6.787 154 HA CYS 28 HA CYS 28 -1.015 8.560 -6.338 155 HB2 CYS 28 HB2 CYS 28 -0.982 6.410 -4.747 156 HB3 CYS 28 HB1 CYS 28 0.564 7.110 -4.281 157 H LYS 29 HN LYS 29 0.225 10.167 -7.074 158 HA LYS 29 HA LYS 29 3.140 9.939 -6.802 159 HB2 LYS 29 HB2 LYS 29 1.596 10.732 -8.955 160 HB3 LYS 29 HB1 LYS 29 2.145 12.259 -8.277 161 HG2 LYS 29 HG2 LYS 29 4.473 11.406 -8.378 162 HG3 LYS 29 HG1 LYS 29 3.863 9.966 -9.197 163 HD2 LYS 29 HD2 LYS 29 3.436 11.085 -11.137 164 HD3 LYS 29 HD1 LYS 29 3.092 12.606 -10.311 165 HE2 LYS 29 HE2 LYS 29 5.870 11.570 -10.196 166 HE3 LYS 29 HE1 LYS 29 5.307 12.228 -11.732 167 HZ1 LYS 29 HZ1 LYS 29 6.401 13.876 -10.267 168 HZ2 LYS 29 HZ2 LYS 29 5.147 13.680 -9.149 169 HZ3 LYS 29 HZ3 LYS 29 4.817 14.300 -10.687 170 H ASN 30 HN ASN 30 3.847 12.597 -6.875 171 HA ASN 30 HA ASN 30 3.396 13.358 -4.151 172 HB2 ASN 30 HB2 ASN 30 5.566 13.679 -5.351 173 HB3 ASN 30 HB1 ASN 30 4.795 14.924 -6.329 174 HD21 ASN 30 HD21 ASN 30 5.986 14.074 -3.182 175 HD22 ASN 30 HD22 ASN 30 5.962 15.668 -2.518 176 H SER 31 HN SER 31 2.062 14.252 -7.230 177 HA SER 31 HA SER 31 0.765 16.617 -6.118 178 HB2 SER 31 HB2 SER 31 0.051 17.085 -8.394 179 HB3 SER 31 HB1 SER 31 1.775 16.713 -8.389 180 HG SER 31 HG SER 31 -0.252 15.442 -9.652 181 H GLU 32 HN GLU 32 -0.029 13.416 -7.367 182 HA GLU 32 HA GLU 32 -2.842 13.722 -7.290 183 HB2 GLU 32 HB2 GLU 32 -1.317 11.896 -8.416 184 HB3 GLU 32 HB1 GLU 32 -1.544 11.058 -6.888 185 HG2 GLU 32 HG2 GLU 32 -3.552 10.366 -7.497 186 HG3 GLU 32 HG1 GLU 32 -4.064 12.015 -7.854 187 H LYS 33 HN LYS 33 -4.354 13.011 -5.776 188 HA LYS 33 HA LYS 33 -3.450 12.030 -3.200 189 HB2 LYS 33 HB2 LYS 33 -4.712 14.741 -3.572 190 HB3 LYS 33 HB1 LYS 33 -4.794 13.879 -2.042 191 HG2 LYS 33 HG2 LYS 33 -2.411 13.909 -1.823 192 HG3 LYS 33 HG1 LYS 33 -2.227 14.578 -3.445 193 HD2 LYS 33 HD2 LYS 33 -3.753 16.487 -2.491 194 HD3 LYS 33 HD1 LYS 33 -3.160 15.896 -0.937 195 HE2 LYS 33 HE2 LYS 33 -1.456 17.314 -1.306 196 HE3 LYS 33 HE1 LYS 33 -0.854 16.034 -2.358 197 HZ1 LYS 33 HZ1 LYS 33 -1.787 17.113 -4.246 198 HZ2 LYS 33 HZ2 LYS 33 -0.899 18.272 -3.393 199 HZ3 LYS 33 HZ3 LYS 33 -2.587 18.255 -3.288 200 H SER 34 HN SER 34 -4.749 10.343 -4.469 201 HA SER 34 HA SER 34 -7.577 10.644 -4.636 202 HB2 SER 34 HB2 SER 34 -5.836 8.171 -4.702 203 HB3 SER 34 HB1 SER 34 -7.563 8.188 -5.061 204 HG SER 34 HG SER 34 -7.175 9.419 -6.854 205 H ASP 35 HN ASP 35 -9.156 9.389 -3.449 206 HA ASP 35 HA ASP 35 -8.744 9.560 -0.626 207 HB2 ASP 35 HB2 ASP 35 -10.938 9.779 -2.148 208 HB3 ASP 35 HB1 ASP 35 -11.090 8.082 -1.705 209 H PHE 36 HN PHE 36 -8.231 7.125 -2.953 210 HA PHE 36 HA PHE 36 -8.416 4.957 -1.011 211 HB2 PHE 36 HB2 PHE 36 -8.365 3.475 -2.810 212 HB3 PHE 36 HB1 PHE 36 -9.242 4.848 -3.465 213 HD1 PHE 36 HD1 PHE 36 -6.686 6.587 -3.856 214 HD2 PHE 36 HD2 PHE 36 -7.691 2.585 -4.903 215 HE1 PHE 36 HE1 PHE 36 -5.074 6.669 -5.706 216 HE2 PHE 36 HE2 PHE 36 -6.078 2.667 -6.755 217 HZ PHE 36 HZ PHE 36 -4.766 4.707 -7.154 218 H CYS 37 HN CYS 37 -6.057 7.099 -2.103 219 HA CYS 37 HA CYS 37 -3.799 5.459 -2.163 220 HB2 CYS 37 HB2 CYS 37 -4.246 8.353 -1.532 221 HB3 CYS 37 HB1 CYS 37 -2.652 7.648 -1.279 222 H GLN 38 HN GLN 38 -5.896 5.641 0.321 223 HA GLN 38 HA GLN 38 -3.855 5.467 2.390 224 HB2 GLN 38 HB2 GLN 38 -6.606 5.056 3.246 225 HB3 GLN 38 HB1 GLN 38 -5.423 6.216 3.832 226 HG2 GLN 38 HG2 GLN 38 -5.965 7.679 1.932 227 HG3 GLN 38 HG1 GLN 38 -7.183 6.513 1.414 228 HE21 GLN 38 HE21 GLN 38 -8.178 8.871 1.746 229 HE22 GLN 38 HE22 GLN 38 -9.027 9.049 3.240 230 H ASN 39 HN ASN 39 -5.498 3.527 0.252 231 HA ASN 39 HA ASN 39 -5.568 1.226 2.058 232 HB2 ASN 39 HB2 ASN 39 -6.992 1.984 -0.321 233 HB3 ASN 39 HB1 ASN 39 -6.265 0.394 -0.537 234 HD21 ASN 39 HD21 ASN 39 -6.650 -1.167 1.236 235 HD22 ASN 39 HD22 ASN 39 -8.201 -1.156 1.997 236 H CYS 40 HN CYS 40 -3.859 2.425 -0.721 237 HA CYS 40 HA CYS 40 -2.390 0.065 -1.250 238 HB2 CYS 40 HB2 CYS 40 -1.402 1.224 -2.966 239 HB3 CYS 40 HB1 CYS 40 -2.891 2.122 -2.768 240 HA PRO 41 HA PRO 41 1.023 2.598 1.322 241 HB2 PRO 41 HB2 PRO 41 -0.802 2.924 3.657 242 HB3 PRO 41 HB1 PRO 41 0.494 3.981 3.083 243 HG2 PRO 41 HG2 PRO 41 -2.046 4.629 2.663 244 HG3 PRO 41 HG1 PRO 41 -0.823 4.909 1.409 245 HD2 PRO 41 HD2 PRO 41 -2.883 2.753 1.599 246 HD3 PRO 41 HD1 PRO 41 -2.310 3.636 0.172 247 H SER 42 HN SER 42 1.759 1.906 3.723 248 HA SER 42 HA SER 42 2.384 0.200 5.090 249 HB2 SER 42 HB2 SER 42 -0.336 0.066 5.074 250 HB3 SER 42 HB1 SER 42 0.078 -1.546 4.492 251 HG SER 42 HG SER 42 0.620 -2.037 6.450 252 H LYS 43 HN LYS 43 3.842 -1.354 4.755 253 HA LYS 43 HA LYS 43 5.071 -2.977 3.740 254 HB2 LYS 43 HB2 LYS 43 2.511 -3.737 2.326 255 HB3 LYS 43 HB1 LYS 43 3.918 -4.757 2.589 256 HG2 LYS 43 HG2 LYS 43 3.453 -4.372 5.094 257 HG3 LYS 43 HG1 LYS 43 1.857 -3.849 4.555 258 HD2 LYS 43 HD2 LYS 43 1.620 -6.139 5.031 259 HD3 LYS 43 HD1 LYS 43 1.749 -6.050 3.274 260 HE2 LYS 43 HE2 LYS 43 3.258 -7.704 3.612 261 HE3 LYS 43 HE1 LYS 43 4.337 -6.334 3.873 262 HZ1 LYS 43 HZ1 LYS 43 4.061 -8.332 5.599 263 HZ2 LYS 43 HZ2 LYS 43 2.891 -7.275 6.210 264 HZ3 LYS 43 HZ3 LYS 43 4.496 -6.764 6.063 265 H THR 44 HN THR 44 5.184 -4.036 1.246 266 HA THR 44 HA THR 44 5.897 -3.632 -0.875 267 HB THR 44 HB THR 44 4.099 -1.207 -0.677 268 HG1 THR 44 HG1 THR 44 3.615 -3.850 -1.571 269 HG21 THR 44 HG21 THR 44 3.987 -1.226 -3.064 270 HG22 THR 44 HG22 THR 44 5.030 -2.645 -3.146 271 HG23 THR 44 HG23 THR 44 5.678 -1.108 -2.575 272 H GLU 45 HN GLU 45 8.002 -3.251 0.111 273 HA GLU 45 HA GLU 45 9.120 -0.767 -0.766 274 HB2 GLU 45 HB2 GLU 45 8.726 -1.290 2.159 275 HB3 GLU 45 HB1 GLU 45 10.137 -0.391 1.619 276 HG2 GLU 45 HG2 GLU 45 8.259 0.952 0.287 277 HG3 GLU 45 HG1 GLU 45 7.285 0.379 1.640 278 H GLN 46 HN GLN 46 10.006 -2.734 -1.940 279 HA GLN 46 HA GLN 46 12.548 -3.442 -0.689 280 HB2 GLN 46 HB2 GLN 46 10.749 -5.499 -1.981 281 HB3 GLN 46 HB1 GLN 46 12.341 -5.792 -1.295 282 HG2 GLN 46 HG2 GLN 46 10.029 -4.761 0.323 283 HG3 GLN 46 HG1 GLN 46 10.375 -6.478 0.116 284 HE21 GLN 46 HE21 GLN 46 10.329 -5.206 2.594 285 HE22 GLN 46 HE22 GLN 46 11.925 -5.222 3.254 286 HA PRO 47 HA PRO 47 14.239 -2.334 -4.620 287 HB2 PRO 47 HB2 PRO 47 16.094 -4.618 -4.169 288 HB3 PRO 47 HB1 PRO 47 16.458 -2.928 -4.534 289 HG2 PRO 47 HG2 PRO 47 16.796 -3.889 -2.075 290 HG3 PRO 47 HG1 PRO 47 16.163 -2.252 -2.336 291 HD2 PRO 47 HD2 PRO 47 14.716 -4.743 -1.547 292 HD3 PRO 47 HD1 PRO 47 14.447 -3.068 -1.026 293 H ASP 48 HN ASP 48 12.840 -2.885 -6.220 294 HA ASP 48 HA ASP 48 13.263 -5.436 -7.530 295 HB2 ASP 48 HB2 ASP 48 11.187 -5.306 -5.745 296 HB3 ASP 48 HB1 ASP 48 10.391 -4.866 -7.253 297 H PHE 49 HN PHE 49 13.999 -2.920 -8.365 298 HA PHE 49 HA PHE 49 12.151 -1.561 -9.965 299 HB2 PHE 49 HB2 PHE 49 14.614 -0.972 -9.241 300 HB3 PHE 49 HB1 PHE 49 15.025 -1.725 -10.779 301 HD1 PHE 49 HD2 PHE 49 13.315 -0.890 -12.742 302 HD2 PHE 49 HD1 PHE 49 14.482 1.305 -9.289 303 HE1 PHE 49 HE2 PHE 49 12.798 1.214 -13.909 304 HE2 PHE 49 HE1 PHE 49 13.968 3.413 -10.449 305 HZ PHE 49 HZ PHE 49 13.125 3.369 -12.763 306 HA PRO 50 HA PRO 50 11.606 -4.614 -13.189 307 HB2 PRO 50 HB2 PRO 50 10.127 -3.079 -14.871 308 HB3 PRO 50 HB1 PRO 50 9.462 -3.820 -13.410 309 HG2 PRO 50 HG2 PRO 50 10.414 -1.014 -13.846 310 HG3 PRO 50 HG1 PRO 50 8.961 -1.585 -13.003 311 HD2 PRO 50 HD2 PRO 50 11.193 -0.824 -11.683 312 HD3 PRO 50 HD1 PRO 50 10.128 -2.110 -11.083 313 H TRP 51 HN TRP 51 11.498 -4.177 -15.823 314 HA TRP 51 HA TRP 51 14.187 -3.771 -16.555 315 HB2 TRP 51 HB2 TRP 51 11.658 -4.383 -17.933 316 HB3 TRP 51 HB1 TRP 51 12.841 -3.536 -18.923 317 HD1 TRP 51 HD1 TRP 51 15.283 -4.792 -19.200 318 HE1 TRP 51 HE1 TRP 51 15.827 -7.307 -19.268 319 HE3 TRP 51 HE3 TRP 51 11.000 -6.610 -17.080 320 HZ2 TRP 51 HZ2 TRP 51 14.604 -9.738 -18.522 321 HZ3 TRP 51 HZ3 TRP 51 10.766 -9.042 -16.793 322 HH2 TRP 51 HH2 TRP 51 12.533 -10.573 -17.500 323 H ILE 52 HN ILE 52 15.221 -2.099 -17.605 324 HA ILE 52 HA ILE 52 14.213 0.529 -17.069 325 HB ILE 52 HB ILE 52 16.720 -0.457 -18.426 326 HG12 ILE 52 HG12 ILE 52 17.830 0.429 -16.452 327 HG13 ILE 52 HG11 ILE 52 16.308 1.076 -15.850 328 HG21 ILE 52 HG21 ILE 52 16.480 1.535 -19.558 329 HG22 ILE 52 HG22 ILE 52 17.383 2.051 -18.133 330 HG23 ILE 52 HG23 ILE 52 15.642 2.319 -18.219 331 HD11 ILE 52 HD11 ILE 52 17.102 -1.036 -14.767 332 HD12 ILE 52 HD12 ILE 52 16.785 -1.854 -16.298 333 HD13 ILE 52 HD13 ILE 52 15.463 -1.088 -15.417 334 H TRP 53 HN TRP 53 13.665 2.132 -18.542 335 HA TRP 53 HA TRP 53 12.691 3.018 -20.396 336 HB2 TRP 53 HB2 TRP 53 15.005 1.896 -21.278 337 HB3 TRP 53 HB1 TRP 53 13.829 1.050 -22.279 338 HD1 TRP 53 HD1 TRP 53 14.211 4.785 -21.244 339 HE1 TRP 53 HE1 TRP 53 13.974 6.213 -23.371 340 HE3 TRP 53 HE3 TRP 53 13.534 1.044 -24.663 341 HZ2 TRP 53 HZ2 TRP 53 13.555 5.808 -26.134 342 HZ3 TRP 53 HZ3 TRP 53 13.222 1.650 -27.028 343 HH2 TRP 53 HH2 TRP 53 13.232 3.984 -27.746 344 H VAL 54 HN VAL 54 11.158 2.575 -22.179 345 HA VAL 54 HA VAL 54 9.064 1.780 -22.652 346 HB VAL 54 HB VAL 54 10.391 0.533 -24.218 347 HG11 VAL 54 HG11 VAL 54 10.707 -1.598 -22.108 348 HG12 VAL 54 HG12 VAL 54 11.967 -0.483 -22.635 349 HG13 VAL 54 HG13 VAL 54 11.304 -1.661 -23.764 350 HG21 VAL 54 HG21 VAL 54 8.838 -1.780 -23.633 351 HG22 VAL 54 HG22 VAL 54 8.546 -0.525 -24.837 352 HG23 VAL 54 HG23 VAL 54 7.900 -0.349 -23.205 Start of MODEL 20 1 H1 SER 5 HT1 SER 5 -17.631 -5.948 -5.262 2 H2 SER 5 HT2 SER 5 -15.949 -6.246 -5.429 3 H3 SER 5 HT3 SER 5 -16.607 -5.864 -3.891 4 HA SER 5 HA SER 5 -18.014 -7.898 -4.171 5 HB2 SER 5 HB2 SER 5 -17.326 -7.969 -6.656 6 HB3 SER 5 HB1 SER 5 -15.812 -8.669 -6.083 7 HG SER 5 HG SER 5 -17.540 -10.187 -6.668 8 H GLN 6 HN GLN 6 -14.525 -7.302 -4.367 9 HA GLN 6 HA GLN 6 -14.211 -8.707 -1.815 10 HB2 GLN 6 HB2 GLN 6 -12.895 -9.370 -4.402 11 HB3 GLN 6 HB1 GLN 6 -11.917 -9.472 -2.945 12 HG2 GLN 6 HG2 GLN 6 -13.905 -10.878 -2.034 13 HG3 GLN 6 HG1 GLN 6 -14.302 -11.075 -3.741 14 HE21 GLN 6 HE21 GLN 6 -12.820 -12.147 -5.099 15 HE22 GLN 6 HE22 GLN 6 -11.628 -13.219 -4.454 16 H GLY 7 HN GLY 7 -13.017 -7.598 -0.401 17 HA2 GLY 7 HA2 GLY 7 -11.461 -5.311 -1.433 18 HA3 GLY 7 HA1 GLY 7 -12.226 -5.364 0.148 19 H GLU 8 HN GLU 8 -9.706 -6.923 -1.804 20 HA GLU 8 HA GLU 8 -8.063 -7.108 0.616 21 HB2 GLU 8 HB2 GLU 8 -8.367 -9.375 -1.362 22 HB3 GLU 8 HB1 GLU 8 -7.370 -9.374 0.086 23 HG2 GLU 8 HG2 GLU 8 -9.910 -8.746 1.002 24 HG3 GLU 8 HG1 GLU 8 -10.175 -9.980 -0.229 25 H CYS 9 HN CYS 9 -7.759 -5.126 -1.202 26 HA CYS 9 HA CYS 9 -5.894 -5.788 -3.266 27 HB2 CYS 9 HB2 CYS 9 -7.249 -3.382 -2.280 28 HB3 CYS 9 HB1 CYS 9 -5.615 -3.079 -2.861 29 HA PRO 10 HA PRO 10 -2.420 -6.234 -0.417 30 HB2 PRO 10 HB2 PRO 10 -0.957 -6.086 -3.006 31 HB3 PRO 10 HB1 PRO 10 -0.818 -7.267 -1.698 32 HG2 PRO 10 HG2 PRO 10 -2.080 -7.889 -3.956 33 HG3 PRO 10 HG1 PRO 10 -2.689 -8.451 -2.388 34 HD2 PRO 10 HD2 PRO 10 -3.694 -6.249 -4.136 35 HD3 PRO 10 HD1 PRO 10 -4.601 -7.393 -3.128 36 H GLU 11 HN GLU 11 0.000 -5.174 -0.751 37 HA GLU 11 HA GLU 11 -0.374 -2.439 -0.178 38 HB2 GLU 11 HB2 GLU 11 1.976 -4.253 -0.464 39 HB3 GLU 11 HB1 GLU 11 2.257 -2.517 -0.479 40 HG2 GLU 11 HG2 GLU 11 1.760 -2.274 1.709 41 HG3 GLU 11 HG1 GLU 11 0.539 -3.544 1.686 42 H GLY 12 HN GLY 12 1.243 -0.826 -1.289 43 HA2 GLY 12 HA2 GLY 12 1.550 0.522 -3.129 44 HA3 GLY 12 HA1 GLY 12 1.922 -0.974 -3.972 45 H ARG 13 HN ARG 13 -1.202 -0.666 -2.573 46 HA ARG 13 HA ARG 13 -2.562 0.483 -4.808 47 HB2 ARG 13 HB2 ARG 13 -3.036 -1.360 -6.007 48 HB3 ARG 13 HB1 ARG 13 -1.791 -2.168 -5.062 49 HG2 ARG 13 HG2 ARG 13 -3.574 -2.649 -3.362 50 HG3 ARG 13 HG1 ARG 13 -4.735 -2.114 -4.574 51 HD2 ARG 13 HD2 ARG 13 -2.774 -4.392 -4.853 52 HD3 ARG 13 HD1 ARG 13 -4.519 -4.537 -4.634 53 HE ARG 13 HE ARG 13 -4.321 -3.057 -6.879 54 HH11 ARG 13 HH11 ARG 13 -2.857 -6.073 -5.909 55 HH12 ARG 13 HH12 ARG 13 -2.764 -6.690 -7.523 56 HH21 ARG 13 HH21 ARG 13 -4.199 -3.867 -9.002 57 HH22 ARG 13 HH22 ARG 13 -3.527 -5.439 -9.279 58 H ALA 14 HN ALA 14 -4.968 0.323 -4.515 59 HA ALA 14 HA ALA 14 -6.038 -0.815 -2.168 60 HB1 ALA 14 HB1 ALA 14 -5.037 1.938 -1.945 61 HB2 ALA 14 HB2 ALA 14 -5.255 0.699 -0.717 62 HB3 ALA 14 HB3 ALA 14 -6.640 1.639 -1.274 63 H TYR 15 HN TYR 15 -8.282 0.408 -1.650 64 HA TYR 15 HA TYR 15 -9.616 0.606 -4.256 65 HB2 TYR 15 HB2 TYR 15 -10.318 -1.271 -2.819 66 HB3 TYR 15 HB1 TYR 15 -10.770 -0.130 -1.558 67 HD1 TYR 15 HD1 TYR 15 -12.517 1.711 -2.314 68 HD2 TYR 15 HD2 TYR 15 -11.953 -2.032 -4.257 69 HE1 TYR 15 HE1 TYR 15 -14.775 1.872 -3.271 70 HE2 TYR 15 HE2 TYR 15 -14.210 -1.878 -5.220 71 HH TYR 15 HH TYR 15 -16.511 -0.387 -4.285 72 H SER 16 HN SER 16 -10.738 2.351 -4.810 73 HA SER 16 HA SER 16 -10.942 4.541 -2.853 74 HB2 SER 16 HB2 SER 16 -9.609 5.372 -4.584 75 HB3 SER 16 HB1 SER 16 -10.516 4.516 -5.826 76 HG SER 16 HG SER 16 -11.447 6.392 -6.060 77 H GLN 17 HN GLN 17 -12.919 4.989 -2.145 78 HA GLN 17 HA GLN 17 -15.231 3.751 -3.172 79 HB2 GLN 17 HB2 GLN 17 -14.651 5.787 -1.093 80 HB3 GLN 17 HB1 GLN 17 -16.297 5.733 -1.711 81 HG2 GLN 17 HG2 GLN 17 -16.558 3.466 -1.034 82 HG3 GLN 17 HG1 GLN 17 -14.846 3.330 -0.635 83 HE21 GLN 17 HE21 GLN 17 -17.148 5.909 0.101 84 HE22 GLN 17 HE22 GLN 17 -17.006 5.787 1.818 85 H ASP 18 HN ASP 18 -13.608 6.676 -3.976 86 HA ASP 18 HA ASP 18 -15.721 8.146 -5.090 87 HB2 ASP 18 HB2 ASP 18 -13.050 8.581 -4.734 88 HB3 ASP 18 HB1 ASP 18 -13.129 8.360 -6.479 89 H LEU 19 HN LEU 19 -13.380 5.984 -6.682 90 HA LEU 19 HA LEU 19 -14.848 6.037 -9.144 91 HB2 LEU 19 HB2 LEU 19 -12.300 4.887 -8.190 92 HB3 LEU 19 HB1 LEU 19 -13.081 4.043 -9.514 93 HG LEU 19 HG LEU 19 -12.482 6.994 -9.602 94 HD11 LEU 19 HD11 LEU 19 -10.811 4.773 -10.761 95 HD12 LEU 19 HD12 LEU 19 -10.410 5.658 -9.289 96 HD13 LEU 19 HD13 LEU 19 -10.487 6.505 -10.834 97 HD21 LEU 19 HD21 LEU 19 -13.228 6.956 -11.731 98 HD22 LEU 19 HD22 LEU 19 -14.151 5.570 -11.152 99 HD23 LEU 19 HD23 LEU 19 -12.639 5.320 -12.024 100 H GLY 20 HN GLY 20 -14.746 4.072 -6.321 101 HA2 GLY 20 HA2 GLY 20 -16.143 2.356 -5.672 102 HA3 GLY 20 HA1 GLY 20 -17.012 2.554 -7.186 103 H LYS 21 HN LYS 21 -13.621 1.708 -6.504 104 HA LYS 21 HA LYS 21 -13.840 -1.031 -7.049 105 HB2 LYS 21 HB2 LYS 21 -12.759 -1.044 -9.327 106 HB3 LYS 21 HB1 LYS 21 -14.436 -0.519 -9.293 107 HG2 LYS 21 HG2 LYS 21 -13.890 1.689 -9.723 108 HG3 LYS 21 HG1 LYS 21 -12.223 1.486 -9.181 109 HD2 LYS 21 HD2 LYS 21 -11.534 0.843 -11.211 110 HD3 LYS 21 HD1 LYS 21 -12.908 -0.243 -11.425 111 HE2 LYS 21 HE2 LYS 21 -13.411 1.251 -13.057 112 HE3 LYS 21 HE1 LYS 21 -14.183 2.077 -11.705 113 HZ1 LYS 21 HZ1 LYS 21 -12.217 3.442 -11.447 114 HZ2 LYS 21 HZ2 LYS 21 -12.815 3.579 -13.022 115 HZ3 LYS 21 HZ3 LYS 21 -11.447 2.634 -12.718 116 H CYS 22 HN CYS 22 -11.801 -2.118 -7.083 117 HA CYS 22 HA CYS 22 -9.800 -0.821 -5.556 118 HB2 CYS 22 HB2 CYS 22 -10.395 -3.482 -6.369 119 HB3 CYS 22 HB1 CYS 22 -8.727 -3.149 -6.822 120 H MET 23 HN MET 23 -7.592 -0.433 -6.141 121 HA MET 23 HA MET 23 -6.887 -0.334 -8.940 122 HB2 MET 23 HB2 MET 23 -6.250 2.240 -8.401 123 HB3 MET 23 HB1 MET 23 -7.740 1.753 -9.185 124 HG2 MET 23 HG2 MET 23 -8.714 1.665 -6.822 125 HG3 MET 23 HG1 MET 23 -7.285 2.579 -6.362 126 HE1 MET 23 HE1 MET 23 -9.932 2.159 -8.868 127 HE2 MET 23 HE2 MET 23 -9.519 3.503 -9.933 128 HE3 MET 23 HE3 MET 23 -10.860 3.657 -8.800 129 H GLU 24 HN GLU 24 -4.710 1.430 -8.724 130 HA GLU 24 HA GLU 24 -3.004 -0.052 -6.845 131 HB2 GLU 24 HB2 GLU 24 -1.186 0.169 -8.337 132 HB3 GLU 24 HB1 GLU 24 -2.557 -0.339 -9.317 133 HG2 GLU 24 HG2 GLU 24 -2.731 2.367 -9.455 134 HG3 GLU 24 HG1 GLU 24 -0.990 2.115 -9.367 135 H CYS 25 HN CYS 25 -1.273 1.036 -5.831 136 HA CYS 25 HA CYS 25 -1.954 3.780 -5.170 137 HB2 CYS 25 HB2 CYS 25 -1.128 1.825 -3.562 138 HB3 CYS 25 HB1 CYS 25 0.451 2.474 -3.989 139 H SER 26 HN SER 26 0.412 2.011 -6.987 140 HA SER 26 HA SER 26 2.419 3.949 -7.204 141 HB2 SER 26 HB2 SER 26 1.699 1.490 -8.543 142 HB3 SER 26 HB1 SER 26 2.215 2.694 -9.725 143 HG SER 26 HG SER 26 3.647 1.549 -7.600 144 H VAL 27 HN VAL 27 -0.787 3.789 -8.435 145 HA VAL 27 HA VAL 27 -0.505 5.593 -10.609 146 HB VAL 27 HB VAL 27 -2.760 4.350 -9.145 147 HG11 VAL 27 HG11 VAL 27 -3.672 6.495 -9.000 148 HG12 VAL 27 HG12 VAL 27 -4.363 5.838 -10.484 149 HG13 VAL 27 HG13 VAL 27 -3.021 6.980 -10.567 150 HG21 VAL 27 HG21 VAL 27 -1.543 3.760 -11.429 151 HG22 VAL 27 HG22 VAL 27 -2.767 4.860 -12.063 152 HG23 VAL 27 HG23 VAL 27 -3.254 3.426 -11.160 153 H CYS 28 HN CYS 28 -0.867 5.962 -7.196 154 HA CYS 28 HA CYS 28 -1.925 8.534 -7.023 155 HB2 CYS 28 HB2 CYS 28 -1.031 6.664 -5.221 156 HB3 CYS 28 HB1 CYS 28 0.161 7.946 -5.040 157 H LYS 29 HN LYS 29 1.459 7.491 -7.284 158 HA LYS 29 HA LYS 29 2.540 10.115 -7.201 159 HB2 LYS 29 HB2 LYS 29 3.533 7.441 -7.355 160 HB3 LYS 29 HB1 LYS 29 4.291 8.384 -8.631 161 HG2 LYS 29 HG2 LYS 29 5.507 9.600 -7.188 162 HG3 LYS 29 HG1 LYS 29 4.202 9.696 -6.006 163 HD2 LYS 29 HD2 LYS 29 4.669 7.387 -5.317 164 HD3 LYS 29 HD1 LYS 29 5.986 7.310 -6.487 165 HE2 LYS 29 HE2 LYS 29 7.141 7.836 -4.575 166 HE3 LYS 29 HE1 LYS 29 6.825 9.444 -5.225 167 HZ1 LYS 29 HZ1 LYS 29 5.411 9.936 -3.561 168 HZ2 LYS 29 HZ2 LYS 29 6.280 8.751 -2.725 169 HZ3 LYS 29 HZ3 LYS 29 4.798 8.363 -3.443 170 H ASN 30 HN ASN 30 1.304 8.078 -9.748 171 HA ASN 30 HA ASN 30 2.432 9.329 -11.974 172 HB2 ASN 30 HB2 ASN 30 0.349 7.417 -11.458 173 HB3 ASN 30 HB1 ASN 30 -0.200 8.565 -12.675 174 HD21 ASN 30 HD21 ASN 30 1.584 5.795 -12.093 175 HD22 ASN 30 HD22 ASN 30 2.383 5.675 -13.619 176 H SER 31 HN SER 31 -0.996 9.721 -11.134 177 HA SER 31 HA SER 31 -0.963 12.508 -10.823 178 HB2 SER 31 HB2 SER 31 -0.465 11.957 -13.422 179 HB3 SER 31 HB1 SER 31 -2.228 11.983 -13.451 180 HG SER 31 HG SER 31 -1.984 14.067 -12.304 181 H GLU 32 HN GLU 32 -2.186 10.638 -9.377 182 HA GLU 32 HA GLU 32 -4.955 11.380 -9.596 183 HB2 GLU 32 HB2 GLU 32 -4.556 9.312 -11.109 184 HB3 GLU 32 HB1 GLU 32 -4.418 8.423 -9.599 185 HG2 GLU 32 HG2 GLU 32 -6.662 8.269 -10.503 186 HG3 GLU 32 HG1 GLU 32 -6.658 9.129 -8.964 187 H LYS 33 HN LYS 33 -4.251 12.311 -7.561 188 HA LYS 33 HA LYS 33 -3.550 10.542 -5.393 189 HB2 LYS 33 HB2 LYS 33 -3.570 12.573 -4.015 190 HB3 LYS 33 HB1 LYS 33 -2.610 12.792 -5.471 191 HG2 LYS 33 HG2 LYS 33 -5.131 13.646 -6.215 192 HG3 LYS 33 HG1 LYS 33 -4.955 14.227 -4.558 193 HD2 LYS 33 HD2 LYS 33 -4.083 15.955 -5.877 194 HD3 LYS 33 HD1 LYS 33 -2.660 15.086 -5.300 195 HE2 LYS 33 HE2 LYS 33 -2.173 14.229 -7.361 196 HE3 LYS 33 HE1 LYS 33 -3.858 14.241 -7.884 197 HZ1 LYS 33 HZ1 LYS 33 -3.419 16.842 -7.655 198 HZ2 LYS 33 HZ2 LYS 33 -3.133 15.987 -9.085 199 HZ3 LYS 33 HZ3 LYS 33 -1.850 16.339 -8.041 200 H SER 34 HN SER 34 -5.528 9.219 -5.715 201 HA SER 34 HA SER 34 -8.058 10.339 -4.963 202 HB2 SER 34 HB2 SER 34 -7.078 7.611 -5.662 203 HB3 SER 34 HB1 SER 34 -8.647 7.798 -4.873 204 HG SER 34 HG SER 34 -9.432 8.748 -6.614 205 H ASP 35 HN ASP 35 -9.307 8.807 -3.274 206 HA ASP 35 HA ASP 35 -7.881 9.251 -0.771 207 HB2 ASP 35 HB2 ASP 35 -10.202 10.118 -1.108 208 HB3 ASP 35 HB1 ASP 35 -10.768 8.452 -1.189 209 H PHE 36 HN PHE 36 -7.279 6.940 -2.568 210 HA PHE 36 HA PHE 36 -7.887 4.787 -0.646 211 HB2 PHE 36 HB2 PHE 36 -8.020 3.211 -2.389 212 HB3 PHE 36 HB1 PHE 36 -8.896 4.606 -3.001 213 HD1 PHE 36 HD1 PHE 36 -7.857 6.043 -4.736 214 HD2 PHE 36 HD2 PHE 36 -6.049 2.448 -3.411 215 HE1 PHE 36 HE1 PHE 36 -6.434 6.014 -6.746 216 HE2 PHE 36 HE2 PHE 36 -4.621 2.404 -5.396 217 HZ PHE 36 HZ PHE 36 -4.819 4.180 -7.068 218 H CYS 37 HN CYS 37 -5.410 6.628 -2.016 219 HA CYS 37 HA CYS 37 -3.351 4.697 -1.964 220 HB2 CYS 37 HB2 CYS 37 -3.026 7.648 -1.420 221 HB3 CYS 37 HB1 CYS 37 -1.816 6.543 -2.061 222 H GLN 38 HN GLN 38 -5.280 5.565 0.481 223 HA GLN 38 HA GLN 38 -3.215 5.630 2.525 224 HB2 GLN 38 HB2 GLN 38 -5.953 5.528 3.487 225 HB3 GLN 38 HB1 GLN 38 -4.713 6.732 3.792 226 HG2 GLN 38 HG2 GLN 38 -6.485 6.608 1.366 227 HG3 GLN 38 HG1 GLN 38 -6.710 7.681 2.748 228 HE21 GLN 38 HE21 GLN 38 -6.282 8.319 -0.068 229 HE22 GLN 38 HE22 GLN 38 -4.874 9.318 -0.125 230 H ASN 39 HN ASN 39 -5.077 3.395 0.842 231 HA ASN 39 HA ASN 39 -5.129 1.515 3.091 232 HB2 ASN 39 HB2 ASN 39 -6.669 1.818 0.650 233 HB3 ASN 39 HB1 ASN 39 -6.101 0.163 0.862 234 HD21 ASN 39 HD21 ASN 39 -8.793 0.961 0.947 235 HD22 ASN 39 HD22 ASN 39 -9.392 0.661 2.539 236 H CYS 40 HN CYS 40 -3.485 2.099 0.093 237 HA CYS 40 HA CYS 40 -2.254 -0.358 -0.314 238 HB2 CYS 40 HB2 CYS 40 -0.670 0.797 -1.698 239 HB3 CYS 40 HB1 CYS 40 -2.250 1.535 -1.929 240 HA PRO 41 HA PRO 41 1.238 1.048 2.630 241 HB2 PRO 41 HB2 PRO 41 0.222 2.797 4.645 242 HB3 PRO 41 HB1 PRO 41 1.377 3.177 3.368 243 HG2 PRO 41 HG2 PRO 41 -1.191 4.208 3.559 244 HG3 PRO 41 HG1 PRO 41 -0.207 4.181 2.086 245 HD2 PRO 41 HD2 PRO 41 -2.409 2.350 2.935 246 HD3 PRO 41 HD1 PRO 41 -2.004 2.958 1.317 247 H SER 42 HN SER 42 1.846 -0.035 4.501 248 HA SER 42 HA SER 42 0.088 -1.956 5.524 249 HB2 SER 42 HB2 SER 42 2.775 -1.628 5.607 250 HB3 SER 42 HB1 SER 42 2.359 -1.178 7.260 251 HG SER 42 HG SER 42 2.773 -3.501 6.753 252 H LYS 43 HN LYS 43 -0.001 -2.151 8.116 253 HA LYS 43 HA LYS 43 -1.223 0.357 9.062 254 HB2 LYS 43 HB2 LYS 43 -2.744 -1.657 8.582 255 HB3 LYS 43 HB1 LYS 43 -2.021 -2.387 10.011 256 HG2 LYS 43 HG2 LYS 43 -3.027 0.344 10.391 257 HG3 LYS 43 HG1 LYS 43 -4.257 -0.867 10.022 258 HD2 LYS 43 HD2 LYS 43 -2.185 -1.155 12.195 259 HD3 LYS 43 HD1 LYS 43 -3.826 -0.560 12.460 260 HE2 LYS 43 HE2 LYS 43 -4.733 -2.616 12.296 261 HE3 LYS 43 HE1 LYS 43 -3.646 -3.102 10.996 262 HZ1 LYS 43 HZ1 LYS 43 -2.067 -3.830 12.464 263 HZ2 LYS 43 HZ2 LYS 43 -3.472 -4.193 13.334 264 HZ3 LYS 43 HZ3 LYS 43 -2.575 -2.810 13.714 265 H THR 44 HN THR 44 0.529 1.156 10.174 266 HA THR 44 HA THR 44 1.840 -0.527 12.161 267 HB THR 44 HB THR 44 3.037 1.856 12.485 268 HG1 THR 44 HG1 THR 44 2.944 3.082 10.726 269 HG21 THR 44 HG21 THR 44 4.082 0.804 10.040 270 HG22 THR 44 HG22 THR 44 3.681 -0.511 11.146 271 HG23 THR 44 HG23 THR 44 4.774 0.774 11.661 272 H GLU 45 HN GLU 45 -0.250 -0.660 13.360 273 HA GLU 45 HA GLU 45 -0.180 0.902 15.675 274 HB2 GLU 45 HB2 GLU 45 -2.460 2.042 15.312 275 HB3 GLU 45 HB1 GLU 45 -1.043 2.776 14.574 276 HG2 GLU 45 HG2 GLU 45 -1.979 2.651 12.577 277 HG3 GLU 45 HG1 GLU 45 -2.161 0.905 12.741 278 H GLN 46 HN GLN 46 -0.315 -1.281 16.407 279 HA GLN 46 HA GLN 46 -2.666 -2.842 15.885 280 HB2 GLN 46 HB2 GLN 46 -1.693 -4.348 17.664 281 HB3 GLN 46 HB1 GLN 46 -0.666 -4.065 16.265 282 HG2 GLN 46 HG2 GLN 46 -0.239 -2.164 18.436 283 HG3 GLN 46 HG1 GLN 46 0.095 -3.838 18.877 284 HE21 GLN 46 HE21 GLN 46 1.634 -1.224 18.052 285 HE22 GLN 46 HE22 GLN 46 2.896 -1.849 17.051 286 HA PRO 47 HA PRO 47 -5.103 -1.024 19.138 287 HB2 PRO 47 HB2 PRO 47 -7.198 -2.711 19.061 288 HB3 PRO 47 HB1 PRO 47 -6.896 -1.536 17.775 289 HG2 PRO 47 HG2 PRO 47 -6.275 -4.462 17.852 290 HG3 PRO 47 HG1 PRO 47 -6.946 -3.496 16.527 291 HD2 PRO 47 HD2 PRO 47 -4.313 -4.213 16.694 292 HD3 PRO 47 HD1 PRO 47 -4.881 -2.753 15.863 293 H ASP 48 HN ASP 48 -3.091 -2.146 20.381 294 HA ASP 48 HA ASP 48 -2.436 -3.173 22.302 295 HB2 ASP 48 HB2 ASP 48 -4.553 -2.037 23.125 296 HB3 ASP 48 HB1 ASP 48 -5.368 -3.582 22.904 297 H PHE 49 HN PHE 49 -2.156 -4.771 20.238 298 HA PHE 49 HA PHE 49 -3.179 -7.382 21.150 299 HB2 PHE 49 HB2 PHE 49 -3.118 -6.168 18.459 300 HB3 PHE 49 HB1 PHE 49 -2.583 -7.843 18.535 301 HD1 PHE 49 HD1 PHE 49 -4.290 -9.032 20.531 302 HD2 PHE 49 HD2 PHE 49 -5.232 -6.141 17.555 303 HE1 PHE 49 HE1 PHE 49 -6.635 -9.779 20.553 304 HE2 PHE 49 HE2 PHE 49 -7.579 -6.882 17.572 305 HZ PHE 49 HZ PHE 49 -8.283 -8.703 19.073 306 HA PRO 50 HA PRO 50 1.400 -7.558 21.531 307 HB2 PRO 50 HB2 PRO 50 1.388 -9.333 23.590 308 HB3 PRO 50 HB1 PRO 50 1.216 -7.588 23.820 309 HG2 PRO 50 HG2 PRO 50 -0.891 -9.713 23.766 310 HG3 PRO 50 HG1 PRO 50 -0.731 -8.321 24.854 311 HD2 PRO 50 HD2 PRO 50 -2.435 -8.341 22.747 312 HD3 PRO 50 HD1 PRO 50 -1.646 -6.861 23.325 313 H TRP 51 HN TRP 51 2.888 -9.349 21.266 314 HA TRP 51 HA TRP 51 1.814 -11.368 19.500 315 HB2 TRP 51 HB2 TRP 51 4.555 -10.460 20.276 316 HB3 TRP 51 HB1 TRP 51 4.361 -12.055 19.556 317 HD1 TRP 51 HD1 TRP 51 3.004 -12.004 17.069 318 HE1 TRP 51 HE1 TRP 51 3.316 -10.315 15.153 319 HE3 TRP 51 HE3 TRP 51 5.147 -8.183 19.701 320 HZ2 TRP 51 HZ2 TRP 51 4.338 -7.706 14.805 321 HZ3 TRP 51 HZ3 TRP 51 5.763 -6.124 18.502 322 HH2 TRP 51 HH2 TRP 51 5.367 -5.892 16.105 323 H ILE 52 HN ILE 52 1.837 -13.577 19.824 324 HA ILE 52 HA ILE 52 1.620 -14.444 22.531 325 HB ILE 52 HB ILE 52 0.073 -15.469 21.172 326 HG12 ILE 52 HG12 ILE 52 1.580 -17.134 22.466 327 HG13 ILE 52 HG11 ILE 52 0.483 -17.779 21.247 328 HG21 ILE 52 HG21 ILE 52 0.504 -14.931 19.009 329 HG22 ILE 52 HG22 ILE 52 0.915 -16.646 18.969 330 HG23 ILE 52 HG23 ILE 52 2.192 -15.437 19.102 331 HD11 ILE 52 HD11 ILE 52 3.207 -18.227 21.440 332 HD12 ILE 52 HD12 ILE 52 3.036 -17.080 20.106 333 HD13 ILE 52 HD13 ILE 52 2.164 -18.616 20.070 334 H TRP 53 HN TRP 53 2.997 -15.724 23.682 335 HA TRP 53 HA TRP 53 5.226 -17.076 22.526 336 HB2 TRP 53 HB2 TRP 53 5.623 -14.387 23.755 337 HB3 TRP 53 HB1 TRP 53 6.831 -15.628 24.072 338 HD1 TRP 53 HD1 TRP 53 5.900 -13.065 21.569 339 HE1 TRP 53 HE1 TRP 53 7.332 -13.319 19.445 340 HE3 TRP 53 HE3 TRP 53 7.935 -17.663 22.503 341 HZ2 TRP 53 HZ2 TRP 53 9.088 -15.217 18.315 342 HZ3 TRP 53 HZ3 TRP 53 9.480 -18.626 20.849 343 HH2 TRP 53 HH2 TRP 53 10.045 -17.427 18.798 344 H VAL 54 HN VAL 54 4.907 -18.885 23.657 345 HA VAL 54 HA VAL 54 5.099 -18.720 26.579 346 HB VAL 54 HB VAL 54 3.108 -20.509 25.185 347 HG11 VAL 54 HG11 VAL 54 2.593 -21.371 27.203 348 HG12 VAL 54 HG12 VAL 54 2.850 -19.842 28.043 349 HG13 VAL 54 HG13 VAL 54 4.229 -20.853 27.612 350 HG21 VAL 54 HG21 VAL 54 1.368 -19.026 25.857 351 HG22 VAL 54 HG22 VAL 54 2.573 -18.064 25.000 352 HG23 VAL 54 HG23 VAL 54 2.496 -18.016 26.762
Contact the webmaster for help, if required. Monday, May 20, 2024 11:08:33 AM GMT (wattos1)