NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
653599 | 6lf5 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 14.125 -14.213 1.522 2 H2 CYS 1 HT2 CYS 1 12.783 -14.161 0.482 3 H3 CYS 1 HT3 CYS 1 13.027 -15.505 1.493 4 HA CYS 1 HA CYS 1 12.417 -12.742 2.392 5 HB2 CYS 1 HB2 CYS 1 10.282 -13.728 3.104 6 HB3 CYS 1 HB1 CYS 1 10.499 -13.824 1.357 7 HA PRO 2 HA PRO 2 14.838 -14.839 5.745 8 HB2 PRO 2 HB2 PRO 2 14.686 -12.030 6.785 9 HB3 PRO 2 HB1 PRO 2 16.085 -13.119 6.682 10 HG2 PRO 2 HG2 PRO 2 15.830 -11.113 4.981 11 HG3 PRO 2 HG1 PRO 2 16.406 -12.697 4.421 12 HD2 PRO 2 HD2 PRO 2 13.676 -11.468 4.108 13 HD3 PRO 2 HD1 PRO 2 14.623 -12.417 2.941 14 H GLN 3 HN GLN 3 14.158 -15.580 7.742 15 HA GLN 3 HA GLN 3 11.372 -15.269 8.385 16 HB2 GLN 3 HB2 GLN 3 13.597 -16.665 9.897 17 HB3 GLN 3 HB1 GLN 3 11.874 -16.819 10.237 18 HG2 GLN 3 HG2 GLN 3 13.209 -17.562 7.617 19 HG3 GLN 3 HG1 GLN 3 12.710 -18.705 8.861 20 HE21 GLN 3 HE21 GLN 3 11.705 -17.494 5.950 21 HE22 GLN 3 HE22 GLN 3 10.025 -17.643 6.145 22 H VAL 4 HN VAL 4 14.127 -13.486 9.076 23 HA VAL 4 HA VAL 4 12.804 -12.168 11.383 24 HB VAL 4 HB VAL 4 15.033 -11.765 12.346 25 HG11 VAL 4 HG11 VAL 4 13.798 -13.737 13.091 26 HG12 VAL 4 HG12 VAL 4 15.516 -14.125 12.996 27 HG13 VAL 4 HG13 VAL 4 14.418 -14.670 11.728 28 HG21 VAL 4 HG21 VAL 4 15.921 -13.413 9.964 29 HG22 VAL 4 HG22 VAL 4 16.942 -13.135 11.375 30 HG23 VAL 4 HG23 VAL 4 16.422 -11.774 10.381 31 H CYS 5 HN CYS 5 13.405 -9.911 11.645 32 HA CYS 5 HA CYS 5 14.464 -8.614 9.215 33 HB2 CYS 5 HB2 CYS 5 11.864 -7.984 10.625 34 HB3 CYS 5 HB1 CYS 5 12.604 -6.908 9.461 35 HA PRO 6 HA PRO 6 16.779 -6.270 12.119 36 HB2 PRO 6 HB2 PRO 6 17.162 -3.898 10.801 37 HB3 PRO 6 HB1 PRO 6 17.974 -5.406 10.336 38 HG2 PRO 6 HG2 PRO 6 15.551 -4.120 9.151 39 HG3 PRO 6 HG1 PRO 6 16.931 -4.883 8.338 40 HD2 PRO 6 HD2 PRO 6 14.557 -6.164 8.674 41 HD3 PRO 6 HD1 PRO 6 16.096 -7.033 8.652 42 H ALA 7 HN ALA 7 16.620 -4.746 13.744 43 HA ALA 7 HA ALA 7 14.048 -3.945 14.569 44 HB1 ALA 7 HB1 ALA 7 15.147 -2.845 16.388 45 HB2 ALA 7 HB2 ALA 7 16.658 -2.731 15.486 46 HB3 ALA 7 HB3 ALA 7 16.079 -4.301 16.040 47 H ILE 8 HN ILE 8 16.603 -2.274 12.807 48 HA ILE 8 HA ILE 8 15.824 0.353 12.974 49 HB ILE 8 HB ILE 8 16.694 -1.046 10.430 50 HG12 ILE 8 HG12 ILE 8 18.366 0.277 12.588 51 HG13 ILE 8 HG11 ILE 8 18.172 -1.467 12.415 52 HG21 ILE 8 HG21 ILE 8 17.006 1.829 11.355 53 HG22 ILE 8 HG22 ILE 8 15.849 1.283 10.144 54 HG23 ILE 8 HG23 ILE 8 17.577 1.161 9.827 55 HD11 ILE 8 HD11 ILE 8 19.325 0.414 10.340 56 HD12 ILE 8 HD12 ILE 8 19.066 -1.314 10.103 57 HD13 ILE 8 HD13 ILE 8 20.231 -0.753 11.302 58 H TYR 9 HN TYR 9 14.041 1.410 12.551 59 HA TYR 9 HA TYR 9 11.828 0.106 11.172 60 HB2 TYR 9 HB2 TYR 9 11.970 1.702 13.378 61 HB3 TYR 9 HB1 TYR 9 11.573 2.912 12.168 62 HD1 TYR 9 HD1 TYR 9 9.311 3.258 11.639 63 HD2 TYR 9 HD2 TYR 9 10.533 -0.519 13.290 64 HE1 TYR 9 HE1 TYR 9 6.939 2.542 11.761 65 HE2 TYR 9 HE2 TYR 9 8.160 -1.232 13.407 66 HH TYR 9 HH TYR 9 5.531 0.952 12.383 67 H GLN 10 HN GLN 10 11.666 0.286 8.987 68 HA GLN 10 HA GLN 10 12.331 2.921 7.753 69 HB2 GLN 10 HB2 GLN 10 12.864 0.191 6.554 70 HB3 GLN 10 HB1 GLN 10 13.220 1.749 5.809 71 HG2 GLN 10 HG2 GLN 10 14.411 0.731 8.401 72 HG3 GLN 10 HG1 GLN 10 15.238 0.767 6.846 73 HE21 GLN 10 HE21 GLN 10 14.992 3.171 5.789 74 HE22 GLN 10 HE22 GLN 10 15.386 4.427 6.861 75 HA PRO 11 HA PRO 11 7.826 1.467 7.204 76 HB2 PRO 11 HB2 PRO 11 7.864 4.458 7.006 77 HB3 PRO 11 HB1 PRO 11 6.603 3.402 7.668 78 HG2 PRO 11 HG2 PRO 11 8.325 4.669 9.265 79 HG3 PRO 11 HG1 PRO 11 7.759 3.028 9.627 80 HD2 PRO 11 HD2 PRO 11 10.451 3.906 8.727 81 HD3 PRO 11 HD1 PRO 11 9.966 2.413 9.554 82 H VAL 12 HN VAL 12 7.085 0.908 5.330 83 HA VAL 12 HA VAL 12 7.836 2.431 2.896 84 HB VAL 12 HB VAL 12 7.543 -0.565 2.855 85 HG11 VAL 12 HG11 VAL 12 9.167 -0.294 0.984 86 HG12 VAL 12 HG12 VAL 12 9.091 1.451 1.217 87 HG13 VAL 12 HG13 VAL 12 7.650 0.564 0.715 88 HG21 VAL 12 HG21 VAL 12 10.027 0.999 3.587 89 HG22 VAL 12 HG22 VAL 12 10.014 -0.712 3.152 90 HG23 VAL 12 HG23 VAL 12 9.171 -0.163 4.597 91 H PHE 13 HN PHE 13 6.333 2.360 1.199 92 HA PHE 13 HA PHE 13 3.586 1.527 1.957 93 HB2 PHE 13 HB2 PHE 13 4.626 3.896 0.405 94 HB3 PHE 13 HB1 PHE 13 2.964 3.349 0.233 95 HD1 PHE 13 HD1 PHE 13 5.476 4.619 2.662 96 HD2 PHE 13 HD2 PHE 13 1.335 3.756 1.924 97 HE1 PHE 13 HE1 PHE 13 4.853 5.834 4.734 98 HE2 PHE 13 HE2 PHE 13 0.709 4.965 3.992 99 HZ PHE 13 HZ PHE 13 2.469 6.007 5.399 100 H ASP 14 HN ASP 14 2.478 0.233 0.565 101 HA ASP 14 HA ASP 14 3.903 -0.635 -1.884 102 HB2 ASP 14 HB2 ASP 14 1.825 -1.938 -0.136 103 HB3 ASP 14 HB1 ASP 14 2.117 -2.507 -1.778 104 H GLU 15 HN GLU 15 2.763 -0.910 -3.827 105 HA GLU 15 HA GLU 15 1.211 1.274 -4.615 106 HB2 GLU 15 HB2 GLU 15 0.867 0.062 -6.705 107 HB3 GLU 15 HB1 GLU 15 2.533 -0.122 -6.161 108 HG2 GLU 15 HG2 GLU 15 1.894 -2.309 -5.117 109 HG3 GLU 15 HG1 GLU 15 0.292 -2.137 -5.832 110 H PHE 16 HN PHE 16 0.216 -1.163 -2.625 111 HA PHE 16 HA PHE 16 -2.559 -1.208 -3.607 112 HB2 PHE 16 HB2 PHE 16 -1.106 -2.830 -1.502 113 HB3 PHE 16 HB1 PHE 16 -2.829 -2.964 -1.843 114 HD1 PHE 16 HD1 PHE 16 0.551 -3.707 -3.033 115 HD2 PHE 16 HD2 PHE 16 -3.624 -3.813 -4.031 116 HE1 PHE 16 HE1 PHE 16 1.041 -5.244 -4.915 117 HE2 PHE 16 HE2 PHE 16 -3.136 -5.351 -5.913 118 HZ PHE 16 HZ PHE 16 -0.803 -6.067 -6.355 119 H GLY 17 HN GLY 17 -0.614 0.640 -1.777 120 HA2 GLY 17 HA2 GLY 17 -1.149 2.419 -0.387 121 HA3 GLY 17 HA1 GLY 17 -2.810 1.844 -0.362 122 H ARG 18 HN ARG 18 -0.749 -0.693 0.258 123 HA ARG 18 HA ARG 18 -1.548 -0.802 3.035 124 HB2 ARG 18 HB2 ARG 18 0.130 -2.620 1.306 125 HB3 ARG 18 HB1 ARG 18 -0.201 -2.940 3.008 126 HG2 ARG 18 HG2 ARG 18 -2.608 -2.945 2.564 127 HG3 ARG 18 HG1 ARG 18 -2.316 -2.538 0.872 128 HD2 ARG 18 HD2 ARG 18 -2.699 -4.941 1.075 129 HD3 ARG 18 HD1 ARG 18 -1.025 -4.647 0.614 130 HE ARG 18 HE ARG 18 -1.274 -4.809 3.451 131 HH11 ARG 18 HH11 ARG 18 -0.506 -6.695 4.455 132 HH12 ARG 18 HH12 ARG 18 -0.256 -8.130 3.517 133 HH21 ARG 18 HH21 ARG 18 -1.278 -6.677 0.538 134 HH22 ARG 18 HH22 ARG 18 -0.693 -8.120 1.299 135 H MET 19 HN MET 19 -0.215 -0.732 4.826 136 HA MET 19 HA MET 19 2.311 0.745 4.455 137 HB2 MET 19 HB2 MET 19 0.490 0.395 6.845 138 HB3 MET 19 HB1 MET 19 2.036 1.242 6.896 139 HG2 MET 19 HG2 MET 19 1.273 2.872 5.284 140 HG3 MET 19 HG1 MET 19 -0.209 1.961 4.994 141 HE1 MET 19 HE1 MET 19 1.992 3.867 7.270 142 HE2 MET 19 HE2 MET 19 1.568 2.791 8.597 143 HE3 MET 19 HE3 MET 19 1.003 4.459 8.611 144 H TYR 20 HN TYR 20 4.219 -0.055 5.046 145 HA TYR 20 HA TYR 20 4.343 -2.582 6.595 146 HB2 TYR 20 HB2 TYR 20 5.841 -1.841 4.077 147 HB3 TYR 20 HB1 TYR 20 6.358 -3.132 5.158 148 HD1 TYR 20 HD1 TYR 20 3.828 -2.048 2.731 149 HD2 TYR 20 HD2 TYR 20 5.009 -5.160 5.448 150 HE1 TYR 20 HE1 TYR 20 2.207 -3.589 1.667 151 HE2 TYR 20 HE2 TYR 20 3.382 -6.704 4.383 152 HH TYR 20 HH TYR 20 2.152 -6.991 2.397 153 H SER 21 HN SER 21 5.957 -2.666 8.119 154 HA SER 21 HA SER 21 7.062 -0.224 9.038 155 HB2 SER 21 HB2 SER 21 6.656 -2.059 10.571 156 HB3 SER 21 HB1 SER 21 7.794 -3.082 9.704 157 HG SER 21 HG SER 21 8.972 -2.231 11.320 158 H ASN 22 HN ASN 22 8.526 -2.951 7.236 159 HA ASN 22 HA ASN 22 10.505 -1.122 6.146 160 HB2 ASN 22 HB2 ASN 22 12.439 -2.435 6.881 161 HB3 ASN 22 HB1 ASN 22 11.570 -1.739 8.247 162 HD21 ASN 22 HD21 ASN 22 11.559 -3.251 9.900 163 HD22 ASN 22 HD22 ASN 22 11.282 -4.899 9.704 164 H SER 23 HN SER 23 11.965 -2.280 4.591 165 HA SER 23 HA SER 23 10.426 -3.708 2.707 166 HB2 SER 23 HB2 SER 23 13.401 -3.301 2.980 167 HB3 SER 23 HB1 SER 23 12.677 -4.147 1.617 168 HG SER 23 HG SER 23 11.960 -2.303 0.874 169 H CYS 24 HN CYS 24 12.583 -4.892 5.281 170 HA CYS 24 HA CYS 24 12.776 -7.553 4.356 171 HB2 CYS 24 HB2 CYS 24 14.130 -6.761 6.220 172 HB3 CYS 24 HB1 CYS 24 12.689 -6.498 7.187 173 H GLU 25 HN GLU 25 10.491 -5.922 6.460 174 HA GLU 25 HA GLU 25 8.796 -8.082 7.005 175 HB2 GLU 25 HB2 GLU 25 8.280 -5.116 6.921 176 HB3 GLU 25 HB1 GLU 25 7.051 -6.283 7.404 177 HG2 GLU 25 HG2 GLU 25 9.788 -6.140 8.685 178 HG3 GLU 25 HG1 GLU 25 8.380 -5.288 9.311 179 H MET 26 HN MET 26 8.894 -5.779 4.331 180 HA MET 26 HA MET 26 6.439 -6.407 3.115 181 HB2 MET 26 HB2 MET 26 9.051 -5.432 1.958 182 HB3 MET 26 HB1 MET 26 7.596 -5.594 1.007 183 HG2 MET 26 HG2 MET 26 6.420 -4.023 2.436 184 HG3 MET 26 HG1 MET 26 7.803 -3.943 3.526 185 HE1 MET 26 HE1 MET 26 8.088 -3.793 -0.675 186 HE2 MET 26 HE2 MET 26 7.184 -2.283 -0.619 187 HE3 MET 26 HE3 MET 26 6.510 -3.733 0.118 188 H GLN 27 HN GLN 27 9.683 -7.790 2.615 189 HA GLN 27 HA GLN 27 8.878 -9.647 0.615 190 HB2 GLN 27 HB2 GLN 27 11.256 -9.569 2.480 191 HB3 GLN 27 HB1 GLN 27 11.049 -10.789 1.223 192 HG2 GLN 27 HG2 GLN 27 11.036 -9.104 -0.508 193 HG3 GLN 27 HG1 GLN 27 11.004 -7.809 0.687 194 HE21 GLN 27 HE21 GLN 27 13.092 -8.338 -1.400 195 HE22 GLN 27 HE22 GLN 27 14.545 -8.536 -0.546 196 H ARG 28 HN ARG 28 9.212 -9.825 4.121 197 HA ARG 28 HA ARG 28 8.812 -12.569 4.492 198 HB2 ARG 28 HB2 ARG 28 9.520 -10.866 6.211 199 HB3 ARG 28 HB1 ARG 28 7.834 -10.378 6.322 200 HG2 ARG 28 HG2 ARG 28 7.198 -12.676 6.940 201 HG3 ARG 28 HG1 ARG 28 8.887 -13.175 6.831 202 HD2 ARG 28 HD2 ARG 28 9.445 -11.462 8.573 203 HD3 ARG 28 HD1 ARG 28 7.724 -11.134 8.745 204 HE ARG 28 HE ARG 28 9.152 -13.461 9.725 205 HH11 ARG 28 HH11 ARG 28 7.913 -14.894 10.977 206 HH12 ARG 28 HH12 ARG 28 6.185 -14.757 10.987 207 HH21 ARG 28 HH21 ARG 28 6.123 -12.064 8.803 208 HH22 ARG 28 HH22 ARG 28 5.173 -13.155 9.757 209 H ALA 29 HN ALA 29 6.431 -9.923 4.523 210 HA ALA 29 HA ALA 29 4.166 -11.530 5.006 211 HB1 ALA 29 HB1 ALA 29 3.963 -9.179 5.333 212 HB2 ALA 29 HB2 ALA 29 2.909 -9.578 3.977 213 HB3 ALA 29 HB3 ALA 29 4.481 -8.835 3.683 214 H ARG 30 HN ARG 30 5.629 -10.440 1.958 215 HA ARG 30 HA ARG 30 3.657 -11.521 0.240 216 HB2 ARG 30 HB2 ARG 30 6.586 -10.901 -0.189 217 HB3 ARG 30 HB1 ARG 30 5.504 -11.424 -1.481 218 HG2 ARG 30 HG2 ARG 30 4.056 -9.501 -1.109 219 HG3 ARG 30 HG1 ARG 30 5.022 -9.003 0.280 220 HD2 ARG 30 HD2 ARG 30 5.644 -7.686 -1.693 221 HD3 ARG 30 HD1 ARG 30 6.985 -8.718 -1.203 222 HE ARG 30 HE ARG 30 6.727 -9.925 -3.183 223 HH11 ARG 30 HH11 ARG 30 5.826 -10.233 -5.245 224 HH12 ARG 30 HH12 ARG 30 4.360 -9.418 -5.674 225 HH21 ARG 30 HH21 ARG 30 4.039 -7.821 -2.613 226 HH22 ARG 30 HH22 ARG 30 3.348 -8.052 -4.185 227 H CYS 31 HN CYS 31 6.574 -12.848 1.676 228 HA CYS 31 HA CYS 31 6.766 -15.235 0.217 229 HB2 CYS 31 HB2 CYS 31 8.293 -14.067 2.033 230 HB3 CYS 31 HB1 CYS 31 7.487 -15.182 3.123 231 H LEU 32 HN LEU 32 4.974 -14.477 3.199 232 HA LEU 32 HA LEU 32 4.066 -17.104 3.719 233 HB2 LEU 32 HB2 LEU 32 2.896 -14.407 4.430 234 HB3 LEU 32 HB1 LEU 32 2.271 -15.935 5.046 235 HG LEU 32 HG LEU 32 5.147 -15.026 5.374 236 HD11 LEU 32 HD11 LEU 32 2.872 -14.932 7.378 237 HD12 LEU 32 HD12 LEU 32 3.540 -13.529 6.543 238 HD13 LEU 32 HD13 LEU 32 4.541 -14.444 7.671 239 HD21 LEU 32 HD21 LEU 32 5.211 -17.338 5.703 240 HD22 LEU 32 HD22 LEU 32 3.549 -17.414 6.287 241 HD23 LEU 32 HD23 LEU 32 4.827 -16.803 7.335 242 H ARG 33 HN ARG 33 2.658 -14.439 1.848 243 HA ARG 33 HA ARG 33 0.225 -15.773 1.234 244 HB2 ARG 33 HB2 ARG 33 1.674 -13.474 -0.094 245 HB3 ARG 33 HB1 ARG 33 0.101 -14.062 -0.635 246 HG2 ARG 33 HG2 ARG 33 -0.738 -13.719 1.731 247 HG3 ARG 33 HG1 ARG 33 0.792 -12.914 2.082 248 HD2 ARG 33 HD2 ARG 33 -1.084 -12.084 -0.145 249 HD3 ARG 33 HD1 ARG 33 -1.068 -11.342 1.452 250 HE ARG 33 HE ARG 33 0.938 -11.021 -0.641 251 HH11 ARG 33 HH11 ARG 33 2.490 -9.418 -0.220 252 HH12 ARG 33 HH12 ARG 33 2.627 -8.749 1.372 253 HH21 ARG 33 HH21 ARG 33 0.075 -10.688 2.694 254 HH22 ARG 33 HH22 ARG 33 1.260 -9.467 3.021 255 H GLY 34 HN GLY 34 3.374 -15.625 -0.358 256 HA2 GLY 34 HA2 GLY 34 2.532 -17.021 -2.720 257 HA3 GLY 34 HA1 GLY 34 4.194 -16.710 -2.227 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 12.863 -12.937 0.468 2 H2 CYS 1 HT2 CYS 1 12.634 -14.619 0.549 3 H3 CYS 1 HT3 CYS 1 13.930 -13.895 1.375 4 HA CYS 1 HA CYS 1 11.769 -12.567 2.345 5 HB2 CYS 1 HB2 CYS 1 11.014 -15.465 2.561 6 HB3 CYS 1 HB1 CYS 1 9.994 -14.026 2.641 7 HA PRO 2 HA PRO 2 15.293 -14.047 5.021 8 HB2 PRO 2 HB2 PRO 2 14.569 -11.398 6.237 9 HB3 PRO 2 HB1 PRO 2 16.173 -12.076 5.887 10 HG2 PRO 2 HG2 PRO 2 15.164 -10.192 4.336 11 HG3 PRO 2 HG1 PRO 2 16.035 -11.565 3.624 12 HD2 PRO 2 HD2 PRO 2 13.069 -11.075 3.743 13 HD3 PRO 2 HD1 PRO 2 14.044 -11.765 2.423 14 H GLN 3 HN GLN 3 15.136 -15.073 6.979 15 HA GLN 3 HA GLN 3 12.519 -15.462 8.108 16 HB2 GLN 3 HB2 GLN 3 15.240 -16.387 9.073 17 HB3 GLN 3 HB1 GLN 3 13.688 -16.958 9.686 18 HG2 GLN 3 HG2 GLN 3 14.628 -17.213 6.813 19 HG3 GLN 3 HG1 GLN 3 14.643 -18.512 8.004 20 HE21 GLN 3 HE21 GLN 3 12.853 -17.409 5.450 21 HE22 GLN 3 HE22 GLN 3 11.318 -17.959 5.919 22 H VAL 4 HN VAL 4 14.916 -13.144 8.510 23 HA VAL 4 HA VAL 4 13.735 -12.255 11.079 24 HB VAL 4 HB VAL 4 15.967 -11.520 11.810 25 HG11 VAL 4 HG11 VAL 4 16.801 -13.690 12.420 26 HG12 VAL 4 HG12 VAL 4 16.045 -14.442 11.015 27 HG13 VAL 4 HG13 VAL 4 15.045 -13.829 12.332 28 HG21 VAL 4 HG21 VAL 4 17.035 -11.180 9.657 29 HG22 VAL 4 HG22 VAL 4 16.846 -12.886 9.247 30 HG23 VAL 4 HG23 VAL 4 17.950 -12.405 10.536 31 H CYS 5 HN CYS 5 13.963 -9.944 11.449 32 HA CYS 5 HA CYS 5 14.451 -8.346 9.008 33 HB2 CYS 5 HB2 CYS 5 12.073 -8.103 10.865 34 HB3 CYS 5 HB1 CYS 5 12.425 -7.013 9.547 35 HA PRO 6 HA PRO 6 16.767 -5.825 11.814 36 HB2 PRO 6 HB2 PRO 6 16.646 -3.377 10.582 37 HB3 PRO 6 HB1 PRO 6 17.624 -4.725 9.964 38 HG2 PRO 6 HG2 PRO 6 14.912 -3.805 9.100 39 HG3 PRO 6 HG1 PRO 6 16.303 -4.292 8.111 40 HD2 PRO 6 HD2 PRO 6 14.228 -5.975 8.593 41 HD3 PRO 6 HD1 PRO 6 15.891 -6.568 8.412 42 H ALA 7 HN ALA 7 16.531 -4.393 13.532 43 HA ALA 7 HA ALA 7 13.781 -3.739 14.278 44 HB1 ALA 7 HB1 ALA 7 16.418 -3.652 15.751 45 HB2 ALA 7 HB2 ALA 7 15.064 -4.749 16.019 46 HB3 ALA 7 HB3 ALA 7 14.915 -3.045 16.444 47 H ILE 8 HN ILE 8 15.956 -2.285 12.392 48 HA ILE 8 HA ILE 8 16.268 0.320 13.397 49 HB ILE 8 HB ILE 8 16.133 -0.708 10.554 50 HG12 ILE 8 HG12 ILE 8 18.504 0.202 12.207 51 HG13 ILE 8 HG11 ILE 8 17.984 -1.482 12.119 52 HG21 ILE 8 HG21 ILE 8 16.806 2.027 11.663 53 HG22 ILE 8 HG22 ILE 8 15.628 1.626 10.413 54 HG23 ILE 8 HG23 ILE 8 17.353 1.489 10.076 55 HD11 ILE 8 HD11 ILE 8 18.681 0.209 9.702 56 HD12 ILE 8 HD12 ILE 8 18.324 -1.519 9.715 57 HD13 ILE 8 HD13 ILE 8 19.795 -0.917 10.477 58 H TYR 9 HN TYR 9 13.720 -1.124 11.406 59 HA TYR 9 HA TYR 9 11.505 -0.534 11.171 60 HB2 TYR 9 HB2 TYR 9 11.922 0.384 13.614 61 HB3 TYR 9 HB1 TYR 9 11.882 1.957 12.823 62 HD1 TYR 9 HD1 TYR 9 9.948 -1.195 13.308 63 HD2 TYR 9 HD2 TYR 9 9.827 2.940 12.148 64 HE1 TYR 9 HE1 TYR 9 7.471 -1.275 13.282 65 HE2 TYR 9 HE2 TYR 9 7.348 2.858 12.121 66 HH TYR 9 HH TYR 9 5.600 0.168 11.963 67 H GLN 10 HN GLN 10 11.641 -0.081 9.009 68 HA GLN 10 HA GLN 10 12.003 2.781 8.272 69 HB2 GLN 10 HB2 GLN 10 13.952 1.343 7.597 70 HB3 GLN 10 HB1 GLN 10 12.843 0.418 6.583 71 HG2 GLN 10 HG2 GLN 10 12.295 2.383 5.279 72 HG3 GLN 10 HG1 GLN 10 13.223 3.415 6.367 73 HE21 GLN 10 HE21 GLN 10 13.665 2.950 3.434 74 HE22 GLN 10 HE22 GLN 10 15.252 2.359 3.306 75 HA PRO 11 HA PRO 11 7.694 1.211 7.310 76 HB2 PRO 11 HB2 PRO 11 7.531 4.209 7.296 77 HB3 PRO 11 HB1 PRO 11 6.338 3.025 7.872 78 HG2 PRO 11 HG2 PRO 11 7.883 4.294 9.596 79 HG3 PRO 11 HG1 PRO 11 7.535 2.566 9.803 80 HD2 PRO 11 HD2 PRO 11 10.066 3.873 8.886 81 HD3 PRO 11 HD1 PRO 11 9.834 2.351 9.770 82 H VAL 12 HN VAL 12 7.006 0.753 5.411 83 HA VAL 12 HA VAL 12 7.737 2.449 3.085 84 HB VAL 12 HB VAL 12 7.619 -0.559 3.019 85 HG11 VAL 12 HG11 VAL 12 7.263 0.493 0.885 86 HG12 VAL 12 HG12 VAL 12 8.896 -0.167 0.908 87 HG13 VAL 12 HG13 VAL 12 8.641 1.562 1.133 88 HG21 VAL 12 HG21 VAL 12 10.185 -0.280 2.809 89 HG22 VAL 12 HG22 VAL 12 9.474 -0.150 4.413 90 HG23 VAL 12 HG23 VAL 12 9.932 1.308 3.539 91 H PHE 13 HN PHE 13 6.300 2.351 1.330 92 HA PHE 13 HA PHE 13 3.560 1.425 1.987 93 HB2 PHE 13 HB2 PHE 13 4.548 3.837 0.459 94 HB3 PHE 13 HB1 PHE 13 2.889 3.260 0.353 95 HD1 PHE 13 HD1 PHE 13 5.460 4.653 2.627 96 HD2 PHE 13 HD2 PHE 13 1.340 3.526 2.173 97 HE1 PHE 13 HE1 PHE 13 4.904 5.827 4.740 98 HE2 PHE 13 HE2 PHE 13 0.784 4.697 4.281 99 HZ PHE 13 HZ PHE 13 2.566 5.849 5.569 100 H ASP 14 HN ASP 14 2.637 0.020 0.614 101 HA ASP 14 HA ASP 14 4.168 -0.899 -1.691 102 HB2 ASP 14 HB2 ASP 14 2.902 -2.388 -0.006 103 HB3 ASP 14 HB1 ASP 14 1.447 -1.900 -0.869 104 H GLU 15 HN GLU 15 3.074 -1.262 -3.768 105 HA GLU 15 HA GLU 15 2.101 1.079 -4.918 106 HB2 GLU 15 HB2 GLU 15 3.102 -0.807 -6.174 107 HB3 GLU 15 HB1 GLU 15 1.659 -1.767 -5.856 108 HG2 GLU 15 HG2 GLU 15 1.515 -0.782 -8.083 109 HG3 GLU 15 HG1 GLU 15 0.291 -0.059 -7.049 110 H PHE 16 HN PHE 16 0.412 -1.387 -3.163 111 HA PHE 16 HA PHE 16 -2.218 -0.577 -4.101 112 HB2 PHE 16 HB2 PHE 16 -1.279 -2.601 -2.053 113 HB3 PHE 16 HB1 PHE 16 -2.975 -2.288 -2.420 114 HD1 PHE 16 HD1 PHE 16 0.188 -3.684 -3.678 115 HD2 PHE 16 HD2 PHE 16 -3.937 -2.904 -4.586 116 HE1 PHE 16 HE1 PHE 16 0.333 -5.198 -5.637 117 HE2 PHE 16 HE2 PHE 16 -3.792 -4.419 -6.544 118 HZ PHE 16 HZ PHE 16 -1.657 -5.566 -7.070 119 H GLY 17 HN GLY 17 0.049 0.611 -2.096 120 HA2 GLY 17 HA2 GLY 17 -0.071 2.417 -0.651 121 HA3 GLY 17 HA1 GLY 17 -1.821 2.306 -0.733 122 H ARG 18 HN ARG 18 -0.167 -0.609 -0.028 123 HA ARG 18 HA ARG 18 -1.392 -0.753 2.579 124 HB2 ARG 18 HB2 ARG 18 0.509 -2.597 1.126 125 HB3 ARG 18 HB1 ARG 18 -0.155 -2.943 2.720 126 HG2 ARG 18 HG2 ARG 18 -2.436 -2.812 1.821 127 HG3 ARG 18 HG1 ARG 18 -1.796 -2.415 0.225 128 HD2 ARG 18 HD2 ARG 18 -0.622 -4.580 0.151 129 HD3 ARG 18 HD1 ARG 18 -1.246 -4.978 1.749 130 HE ARG 18 HE ARG 18 -3.428 -4.366 0.082 131 HH11 ARG 18 HH11 ARG 18 -4.634 -6.065 -0.824 132 HH12 ARG 18 HH12 ARG 18 -3.931 -7.641 -0.961 133 HH21 ARG 18 HH21 ARG 18 -0.905 -6.705 0.451 134 HH22 ARG 18 HH22 ARG 18 -1.820 -8.004 -0.239 135 H MET 19 HN MET 19 -0.389 -0.722 4.579 136 HA MET 19 HA MET 19 2.149 0.743 4.666 137 HB2 MET 19 HB2 MET 19 0.086 0.093 6.779 138 HB3 MET 19 HB1 MET 19 1.584 0.968 7.098 139 HG2 MET 19 HG2 MET 19 0.950 2.728 5.549 140 HG3 MET 19 HG1 MET 19 -0.475 1.822 5.045 141 HE1 MET 19 HE1 MET 19 1.441 3.621 7.646 142 HE2 MET 19 HE2 MET 19 0.974 2.411 8.838 143 HE3 MET 19 HE3 MET 19 0.321 4.043 8.947 144 H TYR 20 HN TYR 20 4.012 -0.179 5.093 145 HA TYR 20 HA TYR 20 4.110 -2.729 6.604 146 HB2 TYR 20 HB2 TYR 20 5.568 -1.980 4.065 147 HB3 TYR 20 HB1 TYR 20 6.153 -3.240 5.148 148 HD1 TYR 20 HD1 TYR 20 4.563 -5.149 5.759 149 HD2 TYR 20 HD2 TYR 20 3.854 -2.440 2.503 150 HE1 TYR 20 HE1 TYR 20 2.978 -6.773 4.754 151 HE2 TYR 20 HE2 TYR 20 2.271 -4.068 1.496 152 HH TYR 20 HH TYR 20 2.067 -7.288 2.489 153 H SER 21 HN SER 21 5.720 -2.861 8.113 154 HA SER 21 HA SER 21 6.850 -0.448 9.075 155 HB2 SER 21 HB2 SER 21 6.366 -2.310 10.566 156 HB3 SER 21 HB1 SER 21 7.546 -3.310 9.734 157 HG SER 21 HG SER 21 8.327 -2.260 11.671 158 H ASN 22 HN ASN 22 8.263 -3.145 7.191 159 HA ASN 22 HA ASN 22 10.299 -1.353 6.183 160 HB2 ASN 22 HB2 ASN 22 12.209 -2.672 6.980 161 HB3 ASN 22 HB1 ASN 22 11.301 -1.970 8.319 162 HD21 ASN 22 HD21 ASN 22 11.097 -3.465 9.977 163 HD22 ASN 22 HD22 ASN 22 10.882 -5.124 9.772 164 H SER 23 HN SER 23 11.874 -2.604 4.744 165 HA SER 23 HA SER 23 10.466 -3.922 2.704 166 HB2 SER 23 HB2 SER 23 12.656 -2.775 2.448 167 HB3 SER 23 HB1 SER 23 13.427 -4.089 3.316 168 HG SER 23 HG SER 23 13.294 -5.286 1.594 169 H CYS 24 HN CYS 24 12.493 -5.262 5.309 170 HA CYS 24 HA CYS 24 12.487 -7.933 4.477 171 HB2 CYS 24 HB2 CYS 24 13.825 -7.121 6.363 172 HB3 CYS 24 HB1 CYS 24 12.364 -6.834 7.285 173 H GLU 25 HN GLU 25 10.215 -6.127 6.460 174 HA GLU 25 HA GLU 25 8.402 -8.225 6.945 175 HB2 GLU 25 HB2 GLU 25 8.053 -5.233 6.946 176 HB3 GLU 25 HB1 GLU 25 6.763 -6.351 7.394 177 HG2 GLU 25 HG2 GLU 25 9.506 -6.387 8.676 178 HG3 GLU 25 HG1 GLU 25 8.144 -5.489 9.336 179 H MET 26 HN MET 26 8.678 -5.859 4.330 180 HA MET 26 HA MET 26 6.218 -6.363 3.054 181 HB2 MET 26 HB2 MET 26 8.879 -5.433 1.975 182 HB3 MET 26 HB1 MET 26 7.448 -5.541 0.982 183 HG2 MET 26 HG2 MET 26 6.265 -3.985 2.445 184 HG3 MET 26 HG1 MET 26 7.649 -3.933 3.526 185 HE1 MET 26 HE1 MET 26 6.151 -3.337 0.214 186 HE2 MET 26 HE2 MET 26 7.644 -3.816 -0.590 187 HE3 MET 26 HE3 MET 26 7.140 -2.129 -0.617 188 H GLN 27 HN GLN 27 9.421 -7.852 2.595 189 HA GLN 27 HA GLN 27 8.595 -9.622 0.523 190 HB2 GLN 27 HB2 GLN 27 10.940 -9.671 2.427 191 HB3 GLN 27 HB1 GLN 27 10.715 -10.851 1.136 192 HG2 GLN 27 HG2 GLN 27 10.784 -9.122 -0.550 193 HG3 GLN 27 HG1 GLN 27 10.776 -7.858 0.678 194 HE21 GLN 27 HE21 GLN 27 12.880 -8.413 -1.392 195 HE22 GLN 27 HE22 GLN 27 14.311 -8.679 -0.518 196 H ARG 28 HN ARG 28 8.906 -9.966 4.034 197 HA ARG 28 HA ARG 28 8.333 -12.721 4.202 198 HB2 ARG 28 HB2 ARG 28 9.249 -11.404 6.068 199 HB3 ARG 28 HB1 ARG 28 7.733 -10.526 6.201 200 HG2 ARG 28 HG2 ARG 28 6.531 -12.546 6.784 201 HG3 ARG 28 HG1 ARG 28 7.952 -13.539 6.461 202 HD2 ARG 28 HD2 ARG 28 7.906 -11.354 8.551 203 HD3 ARG 28 HD1 ARG 28 7.516 -13.035 8.910 204 HE ARG 28 HE ARG 28 9.958 -13.118 7.628 205 HH11 ARG 28 HH11 ARG 28 11.909 -13.109 8.795 206 HH12 ARG 28 HH12 ARG 28 11.954 -12.437 10.391 207 HH21 ARG 28 HH21 ARG 28 8.595 -11.579 10.411 208 HH22 ARG 28 HH22 ARG 28 10.079 -11.571 11.306 209 H ALA 29 HN ALA 29 6.209 -9.888 4.466 210 HA ALA 29 HA ALA 29 3.835 -11.244 5.042 211 HB1 ALA 29 HB1 ALA 29 4.305 -8.651 3.568 212 HB2 ALA 29 HB2 ALA 29 3.905 -8.864 5.273 213 HB3 ALA 29 HB3 ALA 29 2.704 -9.226 4.033 214 H ARG 30 HN ARG 30 5.082 -10.262 1.835 215 HA ARG 30 HA ARG 30 2.928 -11.461 0.400 216 HB2 ARG 30 HB2 ARG 30 5.722 -10.654 -0.437 217 HB3 ARG 30 HB1 ARG 30 4.506 -11.263 -1.560 218 HG2 ARG 30 HG2 ARG 30 3.018 -9.427 -1.053 219 HG3 ARG 30 HG1 ARG 30 4.068 -8.876 0.252 220 HD2 ARG 30 HD2 ARG 30 4.917 -9.025 -2.651 221 HD3 ARG 30 HD1 ARG 30 4.321 -7.560 -1.875 222 HE ARG 30 HE ARG 30 6.418 -8.555 -0.303 223 HH11 ARG 30 HH11 ARG 30 8.498 -7.668 -0.515 224 HH12 ARG 30 HH12 ARG 30 8.931 -6.826 -1.965 225 HH21 ARG 30 HH21 ARG 30 5.843 -7.291 -3.472 226 HH22 ARG 30 HH22 ARG 30 7.428 -6.613 -3.640 227 H CYS 31 HN CYS 31 6.136 -12.513 1.367 228 HA CYS 31 HA CYS 31 6.147 -15.000 0.004 229 HB2 CYS 31 HB2 CYS 31 7.665 -13.933 2.373 230 HB3 CYS 31 HB1 CYS 31 7.975 -15.520 1.700 231 H LEU 32 HN LEU 32 5.122 -14.035 3.250 232 HA LEU 32 HA LEU 32 4.712 -16.634 4.270 233 HB2 LEU 32 HB2 LEU 32 4.831 -14.479 5.609 234 HB3 LEU 32 HB1 LEU 32 3.185 -14.154 5.082 235 HG LEU 32 HG LEU 32 2.620 -16.505 5.999 236 HD11 LEU 32 HD11 LEU 32 4.739 -17.497 6.395 237 HD12 LEU 32 HD12 LEU 32 4.181 -17.042 7.999 238 HD13 LEU 32 HD13 LEU 32 5.377 -16.047 7.172 239 HD21 LEU 32 HD21 LEU 32 2.529 -15.566 8.374 240 HD22 LEU 32 HD22 LEU 32 1.778 -14.571 7.126 241 HD23 LEU 32 HD23 LEU 32 3.375 -14.152 7.747 242 H ARG 33 HN ARG 33 2.660 -14.432 2.435 243 HA ARG 33 HA ARG 33 0.213 -15.788 2.727 244 HB2 ARG 33 HB2 ARG 33 0.423 -13.519 1.769 245 HB3 ARG 33 HB1 ARG 33 1.213 -14.203 0.348 246 HG2 ARG 33 HG2 ARG 33 -0.780 -15.497 -0.194 247 HG3 ARG 33 HG1 ARG 33 -1.571 -14.953 1.286 248 HD2 ARG 33 HD2 ARG 33 -2.362 -13.630 -0.619 249 HD3 ARG 33 HD1 ARG 33 -1.436 -12.614 0.482 250 HE ARG 33 HE ARG 33 0.197 -12.383 -1.168 251 HH11 ARG 33 HH11 ARG 33 0.958 -12.649 -3.291 252 HH12 ARG 33 HH12 ARG 33 0.225 -13.825 -4.329 253 HH21 ARG 33 HH21 ARG 33 -2.062 -14.886 -1.949 254 HH22 ARG 33 HH22 ARG 33 -1.486 -15.091 -3.568 255 H GLY 34 HN GLY 34 2.815 -16.148 0.335 256 HA2 GLY 34 HA2 GLY 34 2.547 -18.894 -0.018 257 HA3 GLY 34 HA1 GLY 34 1.517 -18.136 -1.228 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 13.676 -13.813 0.781 2 H2 CYS 1 HT2 CYS 1 12.157 -14.128 0.087 3 H3 CYS 1 HT3 CYS 1 12.861 -15.254 1.148 4 HA CYS 1 HA CYS 1 12.099 -12.506 1.942 5 HB2 CYS 1 HB2 CYS 1 10.132 -13.525 2.985 6 HB3 CYS 1 HB1 CYS 1 10.125 -13.757 1.237 7 HA PRO 2 HA PRO 2 15.174 -14.140 4.979 8 HB2 PRO 2 HB2 PRO 2 14.544 -11.428 6.114 9 HB3 PRO 2 HB1 PRO 2 16.120 -12.218 5.891 10 HG2 PRO 2 HG2 PRO 2 15.349 -10.309 4.241 11 HG3 PRO 2 HG1 PRO 2 16.172 -11.753 3.616 12 HD2 PRO 2 HD2 PRO 2 13.249 -11.051 3.503 13 HD3 PRO 2 HD1 PRO 2 14.267 -11.858 2.286 14 H GLN 3 HN GLN 3 14.871 -15.113 6.945 15 HA GLN 3 HA GLN 3 12.183 -15.310 7.963 16 HB2 GLN 3 HB2 GLN 3 14.819 -16.476 8.881 17 HB3 GLN 3 HB1 GLN 3 13.279 -16.807 9.675 18 HG2 GLN 3 HG2 GLN 3 12.371 -17.785 7.664 19 HG3 GLN 3 HG1 GLN 3 13.775 -17.280 6.725 20 HE21 GLN 3 HE21 GLN 3 12.776 -20.072 7.200 21 HE22 GLN 3 HE22 GLN 3 14.071 -20.897 7.922 22 H VAL 4 HN VAL 4 14.744 -13.185 8.455 23 HA VAL 4 HA VAL 4 13.582 -12.239 11.018 24 HB VAL 4 HB VAL 4 15.841 -11.571 11.718 25 HG11 VAL 4 HG11 VAL 4 16.620 -13.751 12.312 26 HG12 VAL 4 HG12 VAL 4 15.886 -14.479 10.883 27 HG13 VAL 4 HG13 VAL 4 14.865 -13.885 12.193 28 HG21 VAL 4 HG21 VAL 4 16.881 -11.220 9.555 29 HG22 VAL 4 HG22 VAL 4 16.643 -12.912 9.118 30 HG23 VAL 4 HG23 VAL 4 17.782 -12.482 10.395 31 H CYS 5 HN CYS 5 13.835 -9.941 11.382 32 HA CYS 5 HA CYS 5 14.389 -8.336 8.965 33 HB2 CYS 5 HB2 CYS 5 11.935 -8.125 10.725 34 HB3 CYS 5 HB1 CYS 5 12.350 -6.983 9.468 35 HA PRO 6 HA PRO 6 16.608 -5.838 11.860 36 HB2 PRO 6 HB2 PRO 6 16.564 -3.390 10.632 37 HB3 PRO 6 HB1 PRO 6 17.539 -4.750 10.037 38 HG2 PRO 6 HG2 PRO 6 14.871 -3.782 9.094 39 HG3 PRO 6 HG1 PRO 6 16.283 -4.289 8.146 40 HD2 PRO 6 HD2 PRO 6 14.162 -5.936 8.566 41 HD3 PRO 6 HD1 PRO 6 15.817 -6.556 8.412 42 H ALA 7 HN ALA 7 16.324 -4.406 13.568 43 HA ALA 7 HA ALA 7 13.553 -3.716 14.207 44 HB1 ALA 7 HB1 ALA 7 14.573 -3.090 16.430 45 HB2 ALA 7 HB2 ALA 7 16.121 -3.656 15.803 46 HB3 ALA 7 HB3 ALA 7 14.775 -4.782 15.976 47 H ILE 8 HN ILE 8 15.797 -2.293 12.404 48 HA ILE 8 HA ILE 8 16.155 0.290 13.444 49 HB ILE 8 HB ILE 8 16.051 -0.701 10.587 50 HG12 ILE 8 HG12 ILE 8 18.410 0.122 12.301 51 HG13 ILE 8 HG11 ILE 8 17.848 -1.545 12.178 52 HG21 ILE 8 HG21 ILE 8 16.771 2.001 11.746 53 HG22 ILE 8 HG22 ILE 8 15.611 1.647 10.465 54 HG23 ILE 8 HG23 ILE 8 17.340 1.470 10.163 55 HD11 ILE 8 HD11 ILE 8 18.827 0.205 9.905 56 HD12 ILE 8 HD12 ILE 8 18.123 -1.398 9.692 57 HD13 ILE 8 HD13 ILE 8 19.641 -1.211 10.570 58 H TYR 9 HN TYR 9 13.609 -1.057 11.380 59 HA TYR 9 HA TYR 9 11.402 -0.411 11.159 60 HB2 TYR 9 HB2 TYR 9 11.869 0.587 13.573 61 HB3 TYR 9 HB1 TYR 9 11.846 2.126 12.718 62 HD1 TYR 9 HD1 TYR 9 9.795 3.140 12.114 63 HD2 TYR 9 HD2 TYR 9 9.870 -0.998 13.265 64 HE1 TYR 9 HE1 TYR 9 7.316 3.097 12.121 65 HE2 TYR 9 HE2 TYR 9 7.390 -1.041 13.270 66 HH TYR 9 HH TYR 9 5.531 0.185 13.118 67 H GLN 10 HN GLN 10 11.515 -0.025 8.991 68 HA GLN 10 HA GLN 10 12.034 2.785 8.151 69 HB2 GLN 10 HB2 GLN 10 12.765 0.258 6.652 70 HB3 GLN 10 HB1 GLN 10 12.978 1.906 6.060 71 HG2 GLN 10 HG2 GLN 10 14.487 2.401 7.938 72 HG3 GLN 10 HG1 GLN 10 14.261 0.768 8.561 73 HE21 GLN 10 HE21 GLN 10 16.475 2.541 6.897 74 HE22 GLN 10 HE22 GLN 10 17.154 1.328 5.924 75 HA PRO 11 HA PRO 11 7.609 1.354 7.349 76 HB2 PRO 11 HB2 PRO 11 7.620 4.353 7.270 77 HB3 PRO 11 HB1 PRO 11 6.352 3.259 7.857 78 HG2 PRO 11 HG2 PRO 11 7.990 4.454 9.563 79 HG3 PRO 11 HG1 PRO 11 7.495 2.767 9.808 80 HD2 PRO 11 HD2 PRO 11 10.144 3.832 8.949 81 HD3 PRO 11 HD1 PRO 11 9.752 2.305 9.767 82 H VAL 12 HN VAL 12 6.906 0.851 5.452 83 HA VAL 12 HA VAL 12 7.722 2.439 3.076 84 HB VAL 12 HB VAL 12 7.380 -0.549 2.980 85 HG11 VAL 12 HG11 VAL 12 9.016 -0.278 1.121 86 HG12 VAL 12 HG12 VAL 12 8.962 1.466 1.375 87 HG13 VAL 12 HG13 VAL 12 7.512 0.605 0.855 88 HG21 VAL 12 HG21 VAL 12 9.862 -0.703 3.281 89 HG22 VAL 12 HG22 VAL 12 8.993 -0.211 4.730 90 HG23 VAL 12 HG23 VAL 12 9.858 0.990 3.777 91 H PHE 13 HN PHE 13 6.282 2.415 1.326 92 HA PHE 13 HA PHE 13 3.501 1.609 1.963 93 HB2 PHE 13 HB2 PHE 13 4.598 3.972 0.435 94 HB3 PHE 13 HB1 PHE 13 2.916 3.466 0.329 95 HD1 PHE 13 HD1 PHE 13 1.381 3.788 2.158 96 HD2 PHE 13 HD2 PHE 13 5.539 4.773 2.586 97 HE1 PHE 13 HE1 PHE 13 0.876 4.990 4.265 98 HE2 PHE 13 HE2 PHE 13 5.036 5.975 4.697 99 HZ PHE 13 HZ PHE 13 2.705 6.084 5.537 100 H ASP 14 HN ASP 14 2.594 0.157 0.607 101 HA ASP 14 HA ASP 14 4.121 -0.713 -1.722 102 HB2 ASP 14 HB2 ASP 14 2.616 -2.101 0.080 103 HB3 ASP 14 HB1 ASP 14 1.441 -1.903 -1.217 104 H GLU 15 HN GLU 15 2.989 -1.115 -3.767 105 HA GLU 15 HA GLU 15 1.969 1.237 -4.884 106 HB2 GLU 15 HB2 GLU 15 1.671 -0.054 -6.876 107 HB3 GLU 15 HB1 GLU 15 3.095 -0.685 -6.049 108 HG2 GLU 15 HG2 GLU 15 1.598 -2.426 -4.988 109 HG3 GLU 15 HG1 GLU 15 0.321 -1.890 -6.080 110 H PHE 16 HN PHE 16 0.385 -0.980 -2.892 111 HA PHE 16 HA PHE 16 -2.282 -0.386 -3.991 112 HB2 PHE 16 HB2 PHE 16 -1.345 -2.371 -1.905 113 HB3 PHE 16 HB1 PHE 16 -3.018 -2.150 -2.404 114 HD1 PHE 16 HD1 PHE 16 0.261 -3.481 -3.324 115 HD2 PHE 16 HD2 PHE 16 -3.739 -2.740 -4.701 116 HE1 PHE 16 HE1 PHE 16 0.639 -5.007 -5.242 117 HE2 PHE 16 HE2 PHE 16 -3.362 -4.266 -6.619 118 HZ PHE 16 HZ PHE 16 -1.172 -5.399 -6.890 119 H GLY 17 HN GLY 17 -0.089 0.915 -1.984 120 HA2 GLY 17 HA2 GLY 17 -0.318 2.695 -0.514 121 HA3 GLY 17 HA1 GLY 17 -2.059 2.466 -0.571 122 H ARG 18 HN ARG 18 -0.252 -0.364 0.032 123 HA ARG 18 HA ARG 18 -1.385 -0.617 2.673 124 HB2 ARG 18 HB2 ARG 18 0.508 -2.348 1.079 125 HB3 ARG 18 HB1 ARG 18 -0.023 -2.752 2.713 126 HG2 ARG 18 HG2 ARG 18 -2.364 -2.714 1.989 127 HG3 ARG 18 HG1 ARG 18 -1.868 -2.253 0.361 128 HD2 ARG 18 HD2 ARG 18 -0.617 -4.357 0.132 129 HD3 ARG 18 HD1 ARG 18 -1.071 -4.815 1.771 130 HE ARG 18 HE ARG 18 -3.418 -4.277 0.301 131 HH11 ARG 18 HH11 ARG 18 -4.624 -6.023 -0.508 132 HH12 ARG 18 HH12 ARG 18 -3.874 -7.572 -0.699 133 HH21 ARG 18 HH21 ARG 18 -0.786 -6.517 0.475 134 HH22 ARG 18 HH22 ARG 18 -1.700 -7.852 -0.143 135 H MET 19 HN MET 19 -0.349 -0.539 4.637 136 HA MET 19 HA MET 19 2.214 0.908 4.660 137 HB2 MET 19 HB2 MET 19 0.128 0.419 6.794 138 HB3 MET 19 HB1 MET 19 1.649 1.269 7.072 139 HG2 MET 19 HG2 MET 19 1.063 2.960 5.425 140 HG3 MET 19 HG1 MET 19 -0.394 2.074 4.984 141 HE1 MET 19 HE1 MET 19 1.604 3.941 7.467 142 HE2 MET 19 HE2 MET 19 1.101 2.827 8.734 143 HE3 MET 19 HE3 MET 19 0.509 4.486 8.743 144 H TYR 20 HN TYR 20 4.032 -0.105 5.044 145 HA TYR 20 HA TYR 20 4.048 -2.596 6.663 146 HB2 TYR 20 HB2 TYR 20 5.580 -1.909 4.151 147 HB3 TYR 20 HB1 TYR 20 6.102 -3.178 5.255 148 HD1 TYR 20 HD1 TYR 20 4.504 -5.080 5.788 149 HD2 TYR 20 HD2 TYR 20 3.826 -2.286 2.594 150 HE1 TYR 20 HE1 TYR 20 2.903 -6.660 4.743 151 HE2 TYR 20 HE2 TYR 20 2.232 -3.870 1.550 152 HH TYR 20 HH TYR 20 2.050 -6.755 1.836 153 H SER 21 HN SER 21 5.657 -2.738 8.199 154 HA SER 21 HA SER 21 6.793 -0.331 9.161 155 HB2 SER 21 HB2 SER 21 6.326 -2.216 10.636 156 HB3 SER 21 HB1 SER 21 7.515 -3.200 9.791 157 HG SER 21 HG SER 21 8.641 -2.370 11.443 158 H ASN 22 HN ASN 22 8.219 -3.039 7.309 159 HA ASN 22 HA ASN 22 10.255 -1.235 6.280 160 HB2 ASN 22 HB2 ASN 22 12.143 -2.636 6.998 161 HB3 ASN 22 HB1 ASN 22 11.291 -1.926 8.368 162 HD21 ASN 22 HD21 ASN 22 11.087 -3.437 10.007 163 HD22 ASN 22 HD22 ASN 22 10.804 -5.084 9.782 164 H SER 23 HN SER 23 11.699 -2.422 4.690 165 HA SER 23 HA SER 23 10.109 -3.764 2.782 166 HB2 SER 23 HB2 SER 23 13.100 -3.468 3.056 167 HB3 SER 23 HB1 SER 23 12.336 -4.246 1.674 168 HG SER 23 HG SER 23 12.248 -2.246 0.987 169 H CYS 24 HN CYS 24 12.263 -5.046 5.314 170 HA CYS 24 HA CYS 24 12.380 -7.698 4.367 171 HB2 CYS 24 HB2 CYS 24 13.751 -6.895 6.234 172 HB3 CYS 24 HB1 CYS 24 12.313 -6.682 7.210 173 H GLU 25 HN GLU 25 10.121 -6.011 6.456 174 HA GLU 25 HA GLU 25 8.371 -8.148 6.972 175 HB2 GLU 25 HB2 GLU 25 7.954 -5.166 6.985 176 HB3 GLU 25 HB1 GLU 25 6.685 -6.305 7.428 177 HG2 GLU 25 HG2 GLU 25 9.426 -6.315 8.711 178 HG3 GLU 25 HG1 GLU 25 8.060 -5.421 9.370 179 H MET 26 HN MET 26 8.541 -5.793 4.344 180 HA MET 26 HA MET 26 6.063 -6.327 3.126 181 HB2 MET 26 HB2 MET 26 8.701 -5.427 1.959 182 HB3 MET 26 HB1 MET 26 7.230 -5.523 1.023 183 HG2 MET 26 HG2 MET 26 6.130 -3.931 2.480 184 HG3 MET 26 HG1 MET 26 7.522 -3.909 3.556 185 HE1 MET 26 HE1 MET 26 7.479 -3.814 -0.556 186 HE2 MET 26 HE2 MET 26 7.026 -2.113 -0.597 187 HE3 MET 26 HE3 MET 26 6.005 -3.268 0.254 188 H GLN 27 HN GLN 27 9.265 -7.786 2.588 189 HA GLN 27 HA GLN 27 8.363 -9.626 0.600 190 HB2 GLN 27 HB2 GLN 27 10.838 -9.544 2.332 191 HB3 GLN 27 HB1 GLN 27 10.566 -10.763 1.087 192 HG2 GLN 27 HG2 GLN 27 10.457 -9.076 -0.638 193 HG3 GLN 27 HG1 GLN 27 10.487 -7.782 0.559 194 HE21 GLN 27 HE21 GLN 27 12.464 -8.318 -1.639 195 HE22 GLN 27 HE22 GLN 27 13.960 -8.510 -0.860 196 H ARG 28 HN ARG 28 8.858 -9.803 4.090 197 HA ARG 28 HA ARG 28 8.511 -12.557 4.460 198 HB2 ARG 28 HB2 ARG 28 9.294 -10.980 6.203 199 HB3 ARG 28 HB1 ARG 28 7.667 -10.324 6.317 200 HG2 ARG 28 HG2 ARG 28 6.783 -12.470 7.026 201 HG3 ARG 28 HG1 ARG 28 8.346 -13.244 6.765 202 HD2 ARG 28 HD2 ARG 28 7.887 -10.982 8.725 203 HD3 ARG 28 HD1 ARG 28 7.878 -12.685 9.171 204 HE ARG 28 HE ARG 28 10.271 -12.198 7.809 205 HH11 ARG 28 HH11 ARG 28 12.180 -11.828 8.983 206 HH12 ARG 28 HH12 ARG 28 12.089 -11.279 10.623 207 HH21 ARG 28 HH21 ARG 28 8.623 -11.212 10.688 208 HH22 ARG 28 HH22 ARG 28 10.076 -10.930 11.588 209 H ALA 29 HN ALA 29 6.126 -9.930 4.569 210 HA ALA 29 HA ALA 29 3.883 -11.479 5.218 211 HB1 ALA 29 HB1 ALA 29 3.695 -9.108 5.363 212 HB2 ALA 29 HB2 ALA 29 2.588 -9.608 4.084 213 HB3 ALA 29 HB3 ALA 29 4.149 -8.899 3.671 214 H ARG 30 HN ARG 30 5.194 -10.604 2.027 215 HA ARG 30 HA ARG 30 3.160 -11.884 0.519 216 HB2 ARG 30 HB2 ARG 30 6.021 -11.170 -0.152 217 HB3 ARG 30 HB1 ARG 30 4.880 -11.829 -1.325 218 HG2 ARG 30 HG2 ARG 30 3.365 -9.947 -0.967 219 HG3 ARG 30 HG1 ARG 30 4.420 -9.306 0.293 220 HD2 ARG 30 HD2 ARG 30 4.847 -8.105 -1.781 221 HD3 ARG 30 HD1 ARG 30 6.247 -9.101 -1.393 222 HE ARG 30 HE ARG 30 4.469 -10.542 -3.078 223 HH11 ARG 30 HH11 ARG 30 5.036 -10.771 -5.265 224 HH12 ARG 30 HH12 ARG 30 6.201 -9.700 -5.969 225 HH21 ARG 30 HH21 ARG 30 6.719 -7.914 -3.042 226 HH22 ARG 30 HH22 ARG 30 7.154 -8.082 -4.711 227 H CYS 31 HN CYS 31 6.235 -12.952 1.848 228 HA CYS 31 HA CYS 31 6.404 -15.466 0.589 229 HB2 CYS 31 HB2 CYS 31 8.036 -14.054 2.162 230 HB3 CYS 31 HB1 CYS 31 7.405 -15.138 3.390 231 H LEU 32 HN LEU 32 4.930 -14.443 3.645 232 HA LEU 32 HA LEU 32 4.100 -17.011 4.507 233 HB2 LEU 32 HB2 LEU 32 3.058 -14.242 5.136 234 HB3 LEU 32 HB1 LEU 32 2.511 -15.701 5.958 235 HG LEU 32 HG LEU 32 5.417 -14.839 5.815 236 HD11 LEU 32 HD11 LEU 32 3.500 -14.525 8.142 237 HD12 LEU 32 HD12 LEU 32 3.939 -13.214 7.048 238 HD13 LEU 32 HD13 LEU 32 5.172 -13.969 8.058 239 HD21 LEU 32 HD21 LEU 32 3.918 -17.079 7.168 240 HD22 LEU 32 HD22 LEU 32 5.347 -16.416 7.957 241 HD23 LEU 32 HD23 LEU 32 5.479 -17.114 6.348 242 H ARG 33 HN ARG 33 2.636 -14.562 2.453 243 HA ARG 33 HA ARG 33 0.022 -15.560 2.321 244 HB2 ARG 33 HB2 ARG 33 0.778 -13.369 1.397 245 HB3 ARG 33 HB1 ARG 33 1.584 -14.237 0.091 246 HG2 ARG 33 HG2 ARG 33 -0.564 -15.209 -0.611 247 HG3 ARG 33 HG1 ARG 33 -1.381 -14.373 0.710 248 HD2 ARG 33 HD2 ARG 33 0.150 -13.015 -1.525 249 HD3 ARG 33 HD1 ARG 33 -1.604 -13.152 -1.440 250 HE ARG 33 HE ARG 33 -0.797 -11.976 0.948 251 HH11 ARG 33 HH11 ARG 33 -0.808 -9.716 1.190 252 HH12 ARG 33 HH12 ARG 33 -0.736 -8.701 -0.211 253 HH21 ARG 33 HH21 ARG 33 -0.617 -11.347 -2.449 254 HH22 ARG 33 HH22 ARG 33 -0.628 -9.624 -2.272 255 H GLY 34 HN GLY 34 2.892 -16.345 0.379 256 HA2 GLY 34 HA2 GLY 34 1.888 -18.997 -0.159 257 HA3 GLY 34 HA1 GLY 34 1.902 -17.956 -1.580 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 13.023 -15.953 1.169 2 H2 CYS 1 HT2 CYS 1 13.042 -14.874 -0.144 3 H3 CYS 1 HT3 CYS 1 11.563 -15.435 0.477 4 HA CYS 1 HA CYS 1 12.828 -13.112 1.151 5 HB2 CYS 1 HB2 CYS 1 11.050 -13.310 3.113 6 HB3 CYS 1 HB1 CYS 1 10.512 -13.197 1.438 7 HA PRO 2 HA PRO 2 15.658 -14.114 4.417 8 HB2 PRO 2 HB2 PRO 2 15.565 -11.858 5.961 9 HB3 PRO 2 HB1 PRO 2 16.311 -11.886 4.350 10 HG2 PRO 2 HG2 PRO 2 13.580 -10.960 5.143 11 HG3 PRO 2 HG1 PRO 2 14.757 -10.186 4.064 12 HD2 PRO 2 HD2 PRO 2 12.664 -11.630 3.105 13 HD3 PRO 2 HD1 PRO 2 14.233 -11.586 2.272 14 H GLN 3 HN GLN 3 15.768 -14.838 6.585 15 HA GLN 3 HA GLN 3 13.180 -15.490 7.771 16 HB2 GLN 3 HB2 GLN 3 16.012 -16.333 8.407 17 HB3 GLN 3 HB1 GLN 3 14.605 -16.858 9.332 18 HG2 GLN 3 HG2 GLN 3 13.634 -17.915 7.391 19 HG3 GLN 3 HG1 GLN 3 14.873 -17.232 6.340 20 HE21 GLN 3 HE21 GLN 3 14.264 -20.130 6.839 21 HE22 GLN 3 HE22 GLN 3 15.712 -20.800 7.420 22 H VAL 4 HN VAL 4 15.387 -12.984 8.050 23 HA VAL 4 HA VAL 4 14.371 -12.295 10.749 24 HB VAL 4 HB VAL 4 16.584 -11.383 11.319 25 HG11 VAL 4 HG11 VAL 4 15.923 -13.781 11.821 26 HG12 VAL 4 HG12 VAL 4 17.661 -13.489 11.753 27 HG13 VAL 4 HG13 VAL 4 16.842 -14.255 10.391 28 HG21 VAL 4 HG21 VAL 4 18.516 -12.030 9.843 29 HG22 VAL 4 HG22 VAL 4 17.419 -10.868 9.098 30 HG23 VAL 4 HG23 VAL 4 17.352 -12.569 8.634 31 H CYS 5 HN CYS 5 14.418 -10.004 11.217 32 HA CYS 5 HA CYS 5 14.608 -8.231 8.865 33 HB2 CYS 5 HB2 CYS 5 12.274 -8.359 10.788 34 HB3 CYS 5 HB1 CYS 5 12.478 -7.143 9.549 35 HA PRO 6 HA PRO 6 16.695 -5.648 11.803 36 HB2 PRO 6 HB2 PRO 6 16.350 -3.171 10.691 37 HB3 PRO 6 HB1 PRO 6 17.433 -4.395 9.995 38 HG2 PRO 6 HG2 PRO 6 14.643 -3.671 9.199 39 HG3 PRO 6 HG1 PRO 6 16.058 -3.988 8.176 40 HD2 PRO 6 HD2 PRO 6 14.134 -5.864 8.602 41 HD3 PRO 6 HD1 PRO 6 15.837 -6.298 8.350 42 H ALA 7 HN ALA 7 16.297 -4.406 13.621 43 HA ALA 7 HA ALA 7 13.480 -3.963 14.305 44 HB1 ALA 7 HB1 ALA 7 14.797 -5.112 15.971 45 HB2 ALA 7 HB2 ALA 7 14.423 -3.502 16.583 46 HB3 ALA 7 HB3 ALA 7 16.027 -3.849 15.938 47 H ILE 8 HN ILE 8 15.703 -2.263 12.693 48 HA ILE 8 HA ILE 8 15.825 0.249 13.964 49 HB ILE 8 HB ILE 8 15.901 -0.409 11.010 50 HG12 ILE 8 HG12 ILE 8 17.635 -1.613 12.241 51 HG13 ILE 8 HG11 ILE 8 18.370 -0.303 11.325 52 HG21 ILE 8 HG21 ILE 8 16.655 2.064 12.575 53 HG22 ILE 8 HG22 ILE 8 15.510 1.935 11.241 54 HG23 ILE 8 HG23 ILE 8 17.238 1.753 10.941 55 HD11 ILE 8 HD11 ILE 8 19.408 -0.029 13.387 56 HD12 ILE 8 HD12 ILE 8 17.993 -0.566 14.289 57 HD13 ILE 8 HD13 ILE 8 18.029 1.049 13.586 58 H TYR 9 HN TYR 9 13.495 -1.118 11.678 59 HA TYR 9 HA TYR 9 11.258 -0.579 11.393 60 HB2 TYR 9 HB2 TYR 9 11.588 0.441 13.831 61 HB3 TYR 9 HB1 TYR 9 11.514 1.974 12.968 62 HD1 TYR 9 HD1 TYR 9 9.436 2.869 12.273 63 HD2 TYR 9 HD2 TYR 9 9.690 -1.248 13.475 64 HE1 TYR 9 HE1 TYR 9 6.962 2.693 12.198 65 HE2 TYR 9 HE2 TYR 9 7.218 -1.423 13.397 66 HH TYR 9 HH TYR 9 5.238 1.106 12.053 67 H GLN 10 HN GLN 10 11.421 -0.166 9.228 68 HA GLN 10 HA GLN 10 11.921 2.665 8.439 69 HB2 GLN 10 HB2 GLN 10 12.759 0.170 6.946 70 HB3 GLN 10 HB1 GLN 10 12.966 1.828 6.380 71 HG2 GLN 10 HG2 GLN 10 14.371 2.325 8.348 72 HG3 GLN 10 HG1 GLN 10 14.172 0.666 8.909 73 HE21 GLN 10 HE21 GLN 10 16.234 -0.239 8.582 74 HE22 GLN 10 HE22 GLN 10 17.059 -0.213 7.098 75 HA PRO 11 HA PRO 11 7.558 1.188 7.404 76 HB2 PRO 11 HB2 PRO 11 7.532 4.187 7.400 77 HB3 PRO 11 HB1 PRO 11 6.251 3.062 7.899 78 HG2 PRO 11 HG2 PRO 11 7.788 4.235 9.711 79 HG3 PRO 11 HG1 PRO 11 7.309 2.536 9.889 80 HD2 PRO 11 HD2 PRO 11 9.979 3.660 9.183 81 HD3 PRO 11 HD1 PRO 11 9.572 2.109 9.947 82 H VAL 12 HN VAL 12 7.019 0.685 5.447 83 HA VAL 12 HA VAL 12 7.938 2.360 3.167 84 HB VAL 12 HB VAL 12 7.568 -0.616 2.909 85 HG11 VAL 12 HG11 VAL 12 9.370 1.418 1.581 86 HG12 VAL 12 HG12 VAL 12 7.906 0.720 0.887 87 HG13 VAL 12 HG13 VAL 12 9.314 -0.300 1.190 88 HG21 VAL 12 HG21 VAL 12 9.984 -0.883 3.426 89 HG22 VAL 12 HG22 VAL 12 9.044 -0.368 4.822 90 HG23 VAL 12 HG23 VAL 12 10.033 0.800 3.949 91 H PHE 13 HN PHE 13 6.581 2.429 1.352 92 HA PHE 13 HA PHE 13 3.753 1.679 1.848 93 HB2 PHE 13 HB2 PHE 13 5.009 4.037 0.443 94 HB3 PHE 13 HB1 PHE 13 3.333 3.580 0.169 95 HD1 PHE 13 HD1 PHE 13 1.635 4.055 1.773 96 HD2 PHE 13 HD2 PHE 13 5.772 4.635 2.772 97 HE1 PHE 13 HE1 PHE 13 0.966 5.255 3.830 98 HE2 PHE 13 HE2 PHE 13 5.103 5.833 4.838 99 HZ PHE 13 HZ PHE 13 2.700 6.146 5.368 100 H ASP 14 HN ASP 14 2.686 0.524 0.304 101 HA ASP 14 HA ASP 14 4.250 -0.327 -2.066 102 HB2 ASP 14 HB2 ASP 14 2.041 -1.614 -0.481 103 HB3 ASP 14 HB1 ASP 14 2.328 -2.101 -2.149 104 H GLU 15 HN GLU 15 3.219 -0.460 -4.091 105 HA GLU 15 HA GLU 15 1.789 1.823 -4.849 106 HB2 GLU 15 HB2 GLU 15 1.564 0.756 -7.024 107 HB3 GLU 15 HB1 GLU 15 3.176 0.455 -6.377 108 HG2 GLU 15 HG2 GLU 15 2.352 -1.755 -5.516 109 HG3 GLU 15 HG1 GLU 15 0.827 -1.460 -6.351 110 H PHE 16 HN PHE 16 0.619 -0.740 -3.102 111 HA PHE 16 HA PHE 16 -2.104 -0.600 -4.219 112 HB2 PHE 16 HB2 PHE 16 -0.829 -2.462 -2.197 113 HB3 PHE 16 HB1 PHE 16 -2.520 -2.519 -2.685 114 HD1 PHE 16 HD1 PHE 16 0.936 -3.215 -3.674 115 HD2 PHE 16 HD2 PHE 16 -3.152 -3.143 -4.994 116 HE1 PHE 16 HE1 PHE 16 1.552 -4.573 -5.656 117 HE2 PHE 16 HE2 PHE 16 -2.536 -4.501 -6.976 118 HZ PHE 16 HZ PHE 16 -0.184 -5.216 -7.306 119 H GLY 17 HN GLY 17 -0.202 0.995 -2.121 120 HA2 GLY 17 HA2 GLY 17 -0.745 2.626 -0.567 121 HA3 GLY 17 HA1 GLY 17 -2.428 2.136 -0.710 122 H ARG 18 HN ARG 18 -0.374 -0.487 -0.217 123 HA ARG 18 HA ARG 18 -1.387 -0.859 2.496 124 HB2 ARG 18 HB2 ARG 18 0.260 -2.605 0.658 125 HB3 ARG 18 HB1 ARG 18 -0.187 -3.069 2.300 126 HG2 ARG 18 HG2 ARG 18 -2.573 -2.813 1.720 127 HG3 ARG 18 HG1 ARG 18 -2.124 -2.355 0.077 128 HD2 ARG 18 HD2 ARG 18 -1.028 -4.542 -0.235 129 HD3 ARG 18 HD1 ARG 18 -1.474 -5.002 1.405 130 HE ARG 18 HE ARG 18 -3.808 -4.247 0.008 131 HH11 ARG 18 HH11 ARG 18 -5.168 -5.877 -0.802 132 HH12 ARG 18 HH12 ARG 18 -4.547 -7.477 -1.039 133 HH21 ARG 18 HH21 ARG 18 -1.360 -6.693 0.078 134 HH22 ARG 18 HH22 ARG 18 -2.392 -7.939 -0.541 135 H MET 19 HN MET 19 -0.288 -0.390 4.280 136 HA MET 19 HA MET 19 2.427 0.650 4.053 137 HB2 MET 19 HB2 MET 19 0.426 0.566 6.311 138 HB3 MET 19 HB1 MET 19 2.060 1.209 6.487 139 HG2 MET 19 HG2 MET 19 1.590 2.758 4.573 140 HG3 MET 19 HG1 MET 19 -0.079 2.197 4.580 141 HE1 MET 19 HE1 MET 19 -1.711 3.563 7.617 142 HE2 MET 19 HE2 MET 19 -1.086 1.924 7.460 143 HE3 MET 19 HE3 MET 19 -1.799 2.726 6.063 144 H TYR 20 HN TYR 20 4.213 -0.193 4.888 145 HA TYR 20 HA TYR 20 4.076 -2.744 6.395 146 HB2 TYR 20 HB2 TYR 20 5.879 -2.018 4.076 147 HB3 TYR 20 HB1 TYR 20 6.178 -3.376 5.156 148 HD1 TYR 20 HD1 TYR 20 3.958 -1.999 2.562 149 HD2 TYR 20 HD2 TYR 20 4.746 -5.354 5.128 150 HE1 TYR 20 HE1 TYR 20 2.376 -3.374 1.245 151 HE2 TYR 20 HE2 TYR 20 3.157 -6.732 3.808 152 HH TYR 20 HH TYR 20 2.236 -6.215 0.920 153 H SER 21 HN SER 21 5.594 -2.930 8.042 154 HA SER 21 HA SER 21 6.637 -0.534 9.131 155 HB2 SER 21 HB2 SER 21 6.105 -2.460 10.534 156 HB3 SER 21 HB1 SER 21 7.362 -3.404 9.748 157 HG SER 21 HG SER 21 8.642 -2.567 11.177 158 H ASN 22 HN ASN 22 8.204 -3.174 7.295 159 HA ASN 22 HA ASN 22 10.273 -1.312 6.453 160 HB2 ASN 22 HB2 ASN 22 12.136 -2.708 7.221 161 HB3 ASN 22 HB1 ASN 22 11.195 -2.073 8.570 162 HD21 ASN 22 HD21 ASN 22 10.975 -3.658 10.128 163 HD22 ASN 22 HD22 ASN 22 10.719 -5.294 9.821 164 H SER 23 HN SER 23 11.829 -2.413 4.930 165 HA SER 23 HA SER 23 10.408 -3.661 2.850 166 HB2 SER 23 HB2 SER 23 13.365 -3.401 3.379 167 HB3 SER 23 HB1 SER 23 12.710 -4.101 1.901 168 HG SER 23 HG SER 23 13.131 -1.601 2.338 169 H CYS 24 HN CYS 24 12.363 -5.056 5.472 170 HA CYS 24 HA CYS 24 12.584 -7.665 4.438 171 HB2 CYS 24 HB2 CYS 24 13.804 -6.846 6.424 172 HB3 CYS 24 HB1 CYS 24 12.295 -6.800 7.312 173 H GLU 25 HN GLU 25 10.139 -6.115 6.442 174 HA GLU 25 HA GLU 25 8.465 -8.320 6.848 175 HB2 GLU 25 HB2 GLU 25 7.897 -5.365 6.770 176 HB3 GLU 25 HB1 GLU 25 6.653 -6.561 7.143 177 HG2 GLU 25 HG2 GLU 25 9.291 -6.408 8.621 178 HG3 GLU 25 HG1 GLU 25 7.834 -5.583 9.161 179 H MET 26 HN MET 26 8.687 -5.997 4.219 180 HA MET 26 HA MET 26 6.350 -6.654 2.817 181 HB2 MET 26 HB2 MET 26 8.823 -5.196 2.332 182 HB3 MET 26 HB1 MET 26 8.308 -6.010 0.874 183 HG2 MET 26 HG2 MET 26 6.586 -4.174 2.560 184 HG3 MET 26 HG1 MET 26 7.371 -3.724 1.049 185 HE1 MET 26 HE1 MET 26 5.725 -5.468 -1.696 186 HE2 MET 26 HE2 MET 26 6.811 -6.563 -0.845 187 HE3 MET 26 HE3 MET 26 7.224 -4.856 -0.983 188 H GLN 27 HN GLN 27 9.648 -7.969 2.472 189 HA GLN 27 HA GLN 27 9.027 -9.856 0.460 190 HB2 GLN 27 HB2 GLN 27 11.217 -9.763 2.540 191 HB3 GLN 27 HB1 GLN 27 11.141 -10.979 1.266 192 HG2 GLN 27 HG2 GLN 27 11.274 -9.291 -0.454 193 HG3 GLN 27 HG1 GLN 27 11.119 -8.000 0.737 194 HE21 GLN 27 HE21 GLN 27 13.402 -8.527 -1.150 195 HE22 GLN 27 HE22 GLN 27 14.768 -8.709 -0.160 196 H ARG 28 HN ARG 28 9.068 -10.062 3.980 197 HA ARG 28 HA ARG 28 8.483 -12.847 4.189 198 HB2 ARG 28 HB2 ARG 28 9.456 -11.348 5.974 199 HB3 ARG 28 HB1 ARG 28 7.850 -10.668 6.186 200 HG2 ARG 28 HG2 ARG 28 6.944 -12.836 6.782 201 HG3 ARG 28 HG1 ARG 28 8.482 -13.621 6.425 202 HD2 ARG 28 HD2 ARG 28 8.107 -11.481 8.536 203 HD3 ARG 28 HD1 ARG 28 8.127 -13.211 8.871 204 HE ARG 28 HE ARG 28 10.463 -12.613 7.451 205 HH11 ARG 28 HH11 ARG 28 12.414 -12.299 8.569 206 HH12 ARG 28 HH12 ARG 28 12.385 -11.858 10.244 207 HH21 ARG 28 HH21 ARG 28 8.924 -11.840 10.452 208 HH22 ARG 28 HH22 ARG 28 10.409 -11.598 11.310 209 H ALA 29 HN ALA 29 6.529 -9.924 4.104 210 HA ALA 29 HA ALA 29 4.062 -10.957 4.888 211 HB1 ALA 29 HB1 ALA 29 3.061 -9.073 3.700 212 HB2 ALA 29 HB2 ALA 29 4.559 -8.819 2.805 213 HB3 ALA 29 HB3 ALA 29 4.517 -8.551 4.548 214 H ARG 30 HN ARG 30 5.445 -10.799 1.593 215 HA ARG 30 HA ARG 30 3.202 -11.998 0.325 216 HB2 ARG 30 HB2 ARG 30 6.112 -11.812 -0.481 217 HB3 ARG 30 HB1 ARG 30 4.863 -12.512 -1.512 218 HG2 ARG 30 HG2 ARG 30 3.589 -10.381 -1.373 219 HG3 ARG 30 HG1 ARG 30 4.897 -9.684 -0.418 220 HD2 ARG 30 HD2 ARG 30 6.467 -10.096 -2.287 221 HD3 ARG 30 HD1 ARG 30 5.143 -10.756 -3.242 222 HE ARG 30 HE ARG 30 5.647 -7.953 -2.686 223 HH11 ARG 30 HH11 ARG 30 4.260 -6.499 -3.743 224 HH12 ARG 30 HH12 ARG 30 2.808 -7.081 -4.489 225 HH21 ARG 30 HH21 ARG 30 3.362 -10.386 -3.599 226 HH22 ARG 30 HH22 ARG 30 2.300 -9.281 -4.407 227 H CYS 31 HN CYS 31 6.149 -13.252 1.769 228 HA CYS 31 HA CYS 31 5.888 -15.946 0.985 229 HB2 CYS 31 HB2 CYS 31 7.285 -14.576 3.266 230 HB3 CYS 31 HB1 CYS 31 7.368 -16.312 3.052 231 H LEU 32 HN LEU 32 4.729 -14.215 3.875 232 HA LEU 32 HA LEU 32 3.703 -16.492 5.208 233 HB2 LEU 32 HB2 LEU 32 2.977 -13.563 5.369 234 HB3 LEU 32 HB1 LEU 32 2.286 -14.786 6.431 235 HG LEU 32 HG LEU 32 5.268 -14.331 6.120 236 HD11 LEU 32 HD11 LEU 32 3.387 -13.301 8.267 237 HD12 LEU 32 HD12 LEU 32 4.167 -12.317 7.029 238 HD13 LEU 32 HD13 LEU 32 5.142 -13.117 8.260 239 HD21 LEU 32 HD21 LEU 32 5.064 -15.467 8.516 240 HD22 LEU 32 HD22 LEU 32 5.059 -16.460 7.064 241 HD23 LEU 32 HD23 LEU 32 3.540 -16.075 7.872 242 H ARG 33 HN ARG 33 2.218 -14.182 2.961 243 HA ARG 33 HA ARG 33 -0.394 -15.291 3.104 244 HB2 ARG 33 HB2 ARG 33 0.972 -13.559 1.039 245 HB3 ARG 33 HB1 ARG 33 -0.717 -14.056 0.912 246 HG2 ARG 33 HG2 ARG 33 -1.236 -13.003 3.046 247 HG3 ARG 33 HG1 ARG 33 0.464 -12.605 3.298 248 HD2 ARG 33 HD2 ARG 33 -1.138 -11.614 0.930 249 HD3 ARG 33 HD1 ARG 33 -0.956 -10.699 2.423 250 HE ARG 33 HE ARG 33 1.609 -11.421 1.540 251 HH11 ARG 33 HH11 ARG 33 2.865 -9.895 0.418 252 HH12 ARG 33 HH12 ARG 33 2.093 -8.562 -0.373 253 HH21 ARG 33 HH21 ARG 33 -1.106 -9.506 0.574 254 HH22 ARG 33 HH22 ARG 33 -0.154 -8.341 -0.285 255 H GLY 34 HN GLY 34 2.400 -15.923 1.038 256 HA2 GLY 34 HA2 GLY 34 1.087 -17.620 -0.818 257 HA3 GLY 34 HA1 GLY 34 2.820 -17.578 -0.507 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 13.863 -13.530 1.398 2 H2 CYS 1 HT2 CYS 1 12.511 -13.210 0.419 3 H3 CYS 1 HT3 CYS 1 12.842 -14.799 0.923 4 HA CYS 1 HA CYS 1 11.719 -12.553 2.442 5 HB2 CYS 1 HB2 CYS 1 11.016 -15.437 2.862 6 HB3 CYS 1 HB1 CYS 1 9.970 -14.016 2.824 7 HA PRO 2 HA PRO 2 15.383 -13.806 5.049 8 HB2 PRO 2 HB2 PRO 2 14.555 -11.147 6.182 9 HB3 PRO 2 HB1 PRO 2 16.186 -11.772 5.851 10 HG2 PRO 2 HG2 PRO 2 15.098 -10.003 4.226 11 HG3 PRO 2 HG1 PRO 2 16.011 -11.375 3.567 12 HD2 PRO 2 HD2 PRO 2 13.034 -10.976 3.681 13 HD3 PRO 2 HD1 PRO 2 14.022 -11.713 2.397 14 H GLN 3 HN GLN 3 15.272 -14.879 6.951 15 HA GLN 3 HA GLN 3 12.793 -15.461 8.166 16 HB2 GLN 3 HB2 GLN 3 14.809 -16.942 8.217 17 HB3 GLN 3 HB1 GLN 3 15.557 -15.819 9.351 18 HG2 GLN 3 HG2 GLN 3 14.528 -17.649 10.593 19 HG3 GLN 3 HG1 GLN 3 13.638 -16.161 10.907 20 HE21 GLN 3 HE21 GLN 3 11.432 -16.591 10.938 21 HE22 GLN 3 HE22 GLN 3 10.635 -17.667 9.897 22 H VAL 4 HN VAL 4 15.359 -13.185 8.960 23 HA VAL 4 HA VAL 4 13.705 -12.098 11.176 24 HB VAL 4 HB VAL 4 15.819 -11.228 12.100 25 HG11 VAL 4 HG11 VAL 4 16.632 -13.322 12.931 26 HG12 VAL 4 HG12 VAL 4 16.103 -14.178 11.482 27 HG13 VAL 4 HG13 VAL 4 14.911 -13.555 12.622 28 HG21 VAL 4 HG21 VAL 4 16.957 -12.609 9.658 29 HG22 VAL 4 HG22 VAL 4 17.945 -12.218 11.066 30 HG23 VAL 4 HG23 VAL 4 17.168 -10.928 10.148 31 H CYS 5 HN CYS 5 13.852 -9.764 11.484 32 HA CYS 5 HA CYS 5 14.394 -8.263 8.985 33 HB2 CYS 5 HB2 CYS 5 12.050 -7.950 10.878 34 HB3 CYS 5 HB1 CYS 5 12.384 -6.886 9.531 35 HA PRO 6 HA PRO 6 16.827 -5.653 11.583 36 HB2 PRO 6 HB2 PRO 6 16.577 -3.215 10.332 37 HB3 PRO 6 HB1 PRO 6 17.563 -4.545 9.693 38 HG2 PRO 6 HG2 PRO 6 14.794 -3.711 8.935 39 HG3 PRO 6 HG1 PRO 6 16.148 -4.193 7.895 40 HD2 PRO 6 HD2 PRO 6 14.140 -5.904 8.496 41 HD3 PRO 6 HD1 PRO 6 15.805 -6.469 8.271 42 H ALA 7 HN ALA 7 16.691 -4.244 13.307 43 HA ALA 7 HA ALA 7 14.002 -3.599 14.242 44 HB1 ALA 7 HB1 ALA 7 16.676 -3.175 15.599 45 HB2 ALA 7 HB2 ALA 7 15.692 -4.629 15.759 46 HB3 ALA 7 HB3 ALA 7 15.085 -3.084 16.354 47 H ILE 8 HN ILE 8 16.069 -2.145 12.212 48 HA ILE 8 HA ILE 8 16.377 0.482 13.157 49 HB ILE 8 HB ILE 8 16.124 -0.595 10.340 50 HG12 ILE 8 HG12 ILE 8 18.558 0.372 11.862 51 HG13 ILE 8 HG11 ILE 8 18.061 -1.319 11.824 52 HG21 ILE 8 HG21 ILE 8 16.815 2.164 11.374 53 HG22 ILE 8 HG22 ILE 8 15.576 1.730 10.197 54 HG23 ILE 8 HG23 ILE 8 17.283 1.610 9.767 55 HD11 ILE 8 HD11 ILE 8 18.630 0.351 9.359 56 HD12 ILE 8 HD12 ILE 8 18.269 -1.375 9.398 57 HD13 ILE 8 HD13 ILE 8 19.777 -0.772 10.088 58 H TYR 9 HN TYR 9 13.758 -1.082 11.380 59 HA TYR 9 HA TYR 9 11.541 -0.535 11.163 60 HB2 TYR 9 HB2 TYR 9 11.918 0.250 13.615 61 HB3 TYR 9 HB1 TYR 9 11.941 1.875 12.932 62 HD1 TYR 9 HD1 TYR 9 9.895 -1.229 13.194 63 HD2 TYR 9 HD2 TYR 9 9.933 2.970 12.286 64 HE1 TYR 9 HE1 TYR 9 7.416 -1.220 13.127 65 HE2 TYR 9 HE2 TYR 9 7.453 2.977 12.218 66 HH TYR 9 HH TYR 9 5.577 0.292 13.317 67 H GLN 10 HN GLN 10 11.665 -0.014 9.007 68 HA GLN 10 HA GLN 10 11.825 2.884 8.373 69 HB2 GLN 10 HB2 GLN 10 13.850 1.645 7.601 70 HB3 GLN 10 HB1 GLN 10 12.806 0.607 6.632 71 HG2 GLN 10 HG2 GLN 10 13.706 2.389 5.227 72 HG3 GLN 10 HG1 GLN 10 11.972 2.624 5.425 73 HE21 GLN 10 HE21 GLN 10 11.556 4.818 5.675 74 HE22 GLN 10 HE22 GLN 10 12.498 5.890 6.593 75 HA PRO 11 HA PRO 11 7.602 1.150 7.429 76 HB2 PRO 11 HB2 PRO 11 7.295 4.137 7.352 77 HB3 PRO 11 HB1 PRO 11 6.170 2.912 7.976 78 HG2 PRO 11 HG2 PRO 11 7.676 4.307 9.641 79 HG3 PRO 11 HG1 PRO 11 7.405 2.573 9.908 80 HD2 PRO 11 HD2 PRO 11 9.865 3.958 8.917 81 HD3 PRO 11 HD1 PRO 11 9.712 2.457 9.853 82 H VAL 12 HN VAL 12 7.035 0.593 5.514 83 HA VAL 12 HA VAL 12 7.833 2.239 3.174 84 HB VAL 12 HB VAL 12 7.489 -0.750 3.079 85 HG11 VAL 12 HG11 VAL 12 7.624 0.418 0.959 86 HG12 VAL 12 HG12 VAL 12 9.119 -0.481 1.222 87 HG13 VAL 12 HG13 VAL 12 9.082 1.261 1.481 88 HG21 VAL 12 HG21 VAL 12 9.100 -0.393 4.854 89 HG22 VAL 12 HG22 VAL 12 9.962 0.803 3.888 90 HG23 VAL 12 HG23 VAL 12 9.974 -0.895 3.408 91 H PHE 13 HN PHE 13 6.434 2.249 1.404 92 HA PHE 13 HA PHE 13 3.638 1.449 1.971 93 HB2 PHE 13 HB2 PHE 13 4.768 3.834 0.504 94 HB3 PHE 13 HB1 PHE 13 3.082 3.345 0.387 95 HD1 PHE 13 HD1 PHE 13 1.570 3.526 2.289 96 HD2 PHE 13 HD2 PHE 13 5.691 4.697 2.607 97 HE1 PHE 13 HE1 PHE 13 1.075 4.686 4.422 98 HE2 PHE 13 HE2 PHE 13 5.196 5.858 4.743 99 HZ PHE 13 HZ PHE 13 2.888 5.852 5.652 100 H ASP 14 HN ASP 14 2.725 0.062 0.573 101 HA ASP 14 HA ASP 14 4.273 -0.840 -1.725 102 HB2 ASP 14 HB2 ASP 14 2.941 -2.341 -0.112 103 HB3 ASP 14 HB1 ASP 14 1.512 -1.782 -0.978 104 H GLU 15 HN GLU 15 3.235 -1.156 -3.817 105 HA GLU 15 HA GLU 15 2.335 1.201 -4.996 106 HB2 GLU 15 HB2 GLU 15 3.343 -0.616 -6.268 107 HB3 GLU 15 HB1 GLU 15 1.982 -1.671 -5.890 108 HG2 GLU 15 HG2 GLU 15 0.469 -0.300 -7.167 109 HG3 GLU 15 HG1 GLU 15 1.693 0.948 -7.376 110 H PHE 16 HN PHE 16 0.596 -0.988 -3.054 111 HA PHE 16 HA PHE 16 -2.018 -0.188 -4.143 112 HB2 PHE 16 HB2 PHE 16 -1.123 -2.362 -2.239 113 HB3 PHE 16 HB1 PHE 16 -2.818 -1.995 -2.568 114 HD1 PHE 16 HD1 PHE 16 0.404 -2.733 -4.319 115 HD2 PHE 16 HD2 PHE 16 -3.882 -2.988 -4.429 116 HE1 PHE 16 HE1 PHE 16 0.539 -4.035 -6.420 117 HE2 PHE 16 HE2 PHE 16 -3.748 -4.302 -6.528 118 HZ PHE 16 HZ PHE 16 -1.538 -4.826 -7.525 119 H GLY 17 HN GLY 17 0.177 0.948 -2.074 120 HA2 GLY 17 HA2 GLY 17 0.013 2.656 -0.523 121 HA3 GLY 17 HA1 GLY 17 -1.734 2.534 -0.650 122 H ARG 18 HN ARG 18 -0.037 -0.388 -0.036 123 HA ARG 18 HA ARG 18 -1.345 -0.694 2.513 124 HB2 ARG 18 HB2 ARG 18 0.702 -2.387 1.083 125 HB3 ARG 18 HB1 ARG 18 -0.036 -2.834 2.615 126 HG2 ARG 18 HG2 ARG 18 -2.260 -2.772 1.592 127 HG3 ARG 18 HG1 ARG 18 -1.559 -2.251 0.059 128 HD2 ARG 18 HD2 ARG 18 -0.257 -4.348 -0.053 129 HD3 ARG 18 HD1 ARG 18 -0.973 -4.871 1.468 130 HE ARG 18 HE ARG 18 -2.259 -4.845 -1.140 131 HH11 ARG 18 HH11 ARG 18 -4.321 -5.795 -1.198 132 HH12 ARG 18 HH12 ARG 18 -5.152 -6.140 0.283 133 HH21 ARG 18 HH21 ARG 18 -2.610 -4.924 2.302 134 HH22 ARG 18 HH22 ARG 18 -4.183 -5.647 2.265 135 H MET 19 HN MET 19 -0.302 -0.967 4.548 136 HA MET 19 HA MET 19 2.139 0.673 4.815 137 HB2 MET 19 HB2 MET 19 0.099 -0.174 6.883 138 HB3 MET 19 HB1 MET 19 1.474 0.893 7.168 139 HG2 MET 19 HG2 MET 19 0.594 2.505 5.546 140 HG3 MET 19 HG1 MET 19 -0.754 1.428 5.181 141 HE1 MET 19 HE1 MET 19 -1.331 4.456 6.070 142 HE2 MET 19 HE2 MET 19 -2.769 4.026 6.992 143 HE3 MET 19 HE3 MET 19 -2.386 3.150 5.512 144 H TYR 20 HN TYR 20 4.002 -0.297 5.142 145 HA TYR 20 HA TYR 20 4.103 -2.862 6.635 146 HB2 TYR 20 HB2 TYR 20 5.586 -2.072 4.122 147 HB3 TYR 20 HB1 TYR 20 6.122 -3.378 5.175 148 HD1 TYR 20 HD1 TYR 20 4.452 -5.259 5.711 149 HD2 TYR 20 HD2 TYR 20 3.902 -2.445 2.509 150 HE1 TYR 20 HE1 TYR 20 2.856 -6.812 4.619 151 HE2 TYR 20 HE2 TYR 20 2.311 -4.003 1.417 152 HH TYR 20 HH TYR 20 2.063 -7.182 2.133 153 H SER 21 HN SER 21 5.696 -2.984 8.173 154 HA SER 21 HA SER 21 6.849 -0.575 9.119 155 HB2 SER 21 HB2 SER 21 6.360 -2.435 10.620 156 HB3 SER 21 HB1 SER 21 7.533 -3.444 9.783 157 HG SER 21 HG SER 21 8.262 -0.938 10.848 158 H ASN 22 HN ASN 22 8.289 -3.355 7.378 159 HA ASN 22 HA ASN 22 10.398 -1.572 6.380 160 HB2 ASN 22 HB2 ASN 22 11.478 -4.169 7.329 161 HB3 ASN 22 HB1 ASN 22 12.175 -2.556 7.432 162 HD21 ASN 22 HD21 ASN 22 11.060 -5.019 9.324 163 HD22 ASN 22 HD22 ASN 22 10.575 -4.141 10.688 164 H SER 23 HN SER 23 11.743 -2.681 4.708 165 HA SER 23 HA SER 23 10.096 -3.930 2.758 166 HB2 SER 23 HB2 SER 23 13.107 -3.703 2.982 167 HB3 SER 23 HB1 SER 23 12.274 -4.351 1.572 168 HG SER 23 HG SER 23 12.624 -1.775 2.373 169 H CYS 24 HN CYS 24 12.109 -5.166 5.343 170 HA CYS 24 HA CYS 24 12.396 -7.834 4.451 171 HB2 CYS 24 HB2 CYS 24 13.626 -6.940 6.377 172 HB3 CYS 24 HB1 CYS 24 12.116 -6.725 7.251 173 H GLU 25 HN GLU 25 10.019 -6.208 6.469 174 HA GLU 25 HA GLU 25 8.295 -8.395 6.886 175 HB2 GLU 25 HB2 GLU 25 7.798 -5.419 6.917 176 HB3 GLU 25 HB1 GLU 25 6.583 -6.611 7.381 177 HG2 GLU 25 HG2 GLU 25 9.341 -6.483 8.623 178 HG3 GLU 25 HG1 GLU 25 7.934 -5.679 9.308 179 H MET 26 HN MET 26 8.513 -6.001 4.301 180 HA MET 26 HA MET 26 6.067 -6.509 3.017 181 HB2 MET 26 HB2 MET 26 8.738 -5.618 1.924 182 HB3 MET 26 HB1 MET 26 7.287 -5.691 0.951 183 HG2 MET 26 HG2 MET 26 6.160 -4.128 2.440 184 HG3 MET 26 HG1 MET 26 7.563 -4.100 3.502 185 HE1 MET 26 HE1 MET 26 6.987 -2.266 -0.620 186 HE2 MET 26 HE2 MET 26 6.010 -3.468 0.216 187 HE3 MET 26 HE3 MET 26 7.480 -3.964 -0.618 188 H GLN 27 HN GLN 27 9.272 -7.987 2.510 189 HA GLN 27 HA GLN 27 8.368 -9.796 0.490 190 HB2 GLN 27 HB2 GLN 27 10.832 -9.744 2.235 191 HB3 GLN 27 HB1 GLN 27 10.561 -10.949 0.975 192 HG2 GLN 27 HG2 GLN 27 10.466 -9.243 -0.732 193 HG3 GLN 27 HG1 GLN 27 10.495 -7.962 0.479 194 HE21 GLN 27 HE21 GLN 27 12.480 -8.490 -1.719 195 HE22 GLN 27 HE22 GLN 27 13.972 -8.692 -0.933 196 H ARG 28 HN ARG 28 8.963 -10.098 3.969 197 HA ARG 28 HA ARG 28 8.471 -12.861 4.203 198 HB2 ARG 28 HB2 ARG 28 9.482 -11.375 5.951 199 HB3 ARG 28 HB1 ARG 28 7.879 -10.720 6.258 200 HG2 ARG 28 HG2 ARG 28 7.044 -12.942 6.851 201 HG3 ARG 28 HG1 ARG 28 8.616 -13.652 6.477 202 HD2 ARG 28 HD2 ARG 28 8.142 -11.532 8.590 203 HD3 ARG 28 HD1 ARG 28 8.300 -13.255 8.920 204 HE ARG 28 HE ARG 28 10.568 -12.577 7.492 205 HH11 ARG 28 HH11 ARG 28 12.496 -11.987 8.535 206 HH12 ARG 28 HH12 ARG 28 12.442 -11.349 10.143 207 HH21 ARG 28 HH21 ARG 28 8.991 -11.566 10.401 208 HH22 ARG 28 HH22 ARG 28 10.459 -11.114 11.202 209 H ALA 29 HN ALA 29 6.286 -10.087 4.662 210 HA ALA 29 HA ALA 29 4.000 -11.561 5.345 211 HB1 ALA 29 HB1 ALA 29 2.730 -9.566 4.760 212 HB2 ALA 29 HB2 ALA 29 4.100 -8.934 3.847 213 HB3 ALA 29 HB3 ALA 29 4.211 -9.102 5.598 214 H ARG 30 HN ARG 30 5.046 -10.394 2.134 215 HA ARG 30 HA ARG 30 2.841 -11.561 0.756 216 HB2 ARG 30 HB2 ARG 30 5.559 -10.632 -0.187 217 HB3 ARG 30 HB1 ARG 30 4.299 -11.222 -1.276 218 HG2 ARG 30 HG2 ARG 30 2.751 -9.494 -0.378 219 HG3 ARG 30 HG1 ARG 30 4.061 -8.873 0.626 220 HD2 ARG 30 HD2 ARG 30 5.397 -8.407 -1.392 221 HD3 ARG 30 HD1 ARG 30 4.098 -9.036 -2.401 222 HE ARG 30 HE ARG 30 2.917 -7.055 -2.044 223 HH11 ARG 30 HH11 ARG 30 2.751 -4.926 -1.272 224 HH12 ARG 30 HH12 ARG 30 3.870 -4.351 -0.081 225 HH21 ARG 30 HH21 ARG 30 5.610 -7.343 0.110 226 HH22 ARG 30 HH22 ARG 30 5.489 -5.720 0.701 227 H CYS 31 HN CYS 31 6.088 -12.637 1.560 228 HA CYS 31 HA CYS 31 6.122 -15.000 0.022 229 HB2 CYS 31 HB2 CYS 31 7.578 -14.108 2.492 230 HB3 CYS 31 HB1 CYS 31 7.859 -15.693 1.796 231 H LEU 32 HN LEU 32 4.961 -14.335 3.311 232 HA LEU 32 HA LEU 32 4.435 -17.026 4.021 233 HB2 LEU 32 HB2 LEU 32 3.294 -14.403 4.978 234 HB3 LEU 32 HB1 LEU 32 2.786 -15.947 5.655 235 HG LEU 32 HG LEU 32 5.700 -15.130 5.497 236 HD11 LEU 32 HD11 LEU 32 3.695 -14.657 7.721 237 HD12 LEU 32 HD12 LEU 32 4.592 -13.431 6.824 238 HD13 LEU 32 HD13 LEU 32 5.442 -14.518 7.922 239 HD21 LEU 32 HD21 LEU 32 4.137 -17.307 6.891 240 HD22 LEU 32 HD22 LEU 32 5.670 -16.758 7.561 241 HD23 LEU 32 HD23 LEU 32 5.615 -17.440 5.941 242 H ARG 33 HN ARG 33 2.546 -14.605 2.288 243 HA ARG 33 HA ARG 33 0.062 -15.926 2.307 244 HB2 ARG 33 HB2 ARG 33 1.297 -14.053 0.277 245 HB3 ARG 33 HB1 ARG 33 -0.367 -14.624 0.185 246 HG2 ARG 33 HG2 ARG 33 -0.830 -13.669 2.404 247 HG3 ARG 33 HG1 ARG 33 0.839 -13.113 2.519 248 HD2 ARG 33 HD2 ARG 33 0.507 -11.734 0.488 249 HD3 ARG 33 HD1 ARG 33 -1.171 -12.260 0.418 250 HE ARG 33 HE ARG 33 -0.648 -11.148 2.967 251 HH11 ARG 33 HH11 ARG 33 -1.369 -9.037 3.392 252 HH12 ARG 33 HH12 ARG 33 -1.740 -7.973 2.077 253 HH21 ARG 33 HH21 ARG 33 -0.956 -10.298 -0.373 254 HH22 ARG 33 HH22 ARG 33 -1.507 -8.687 -0.055 255 H GLY 34 HN GLY 34 2.879 -16.268 0.190 256 HA2 GLY 34 HA2 GLY 34 2.199 -18.935 -0.525 257 HA3 GLY 34 HA1 GLY 34 1.812 -17.830 -1.841 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 13.472 -14.620 -0.221 2 H2 CYS 1 HT2 CYS 1 11.828 -14.806 -0.606 3 H3 CYS 1 HT3 CYS 1 12.547 -15.804 0.567 4 HA CYS 1 HA CYS 1 12.266 -12.863 0.815 5 HB2 CYS 1 HB2 CYS 1 10.384 -13.270 2.246 6 HB3 CYS 1 HB1 CYS 1 10.102 -14.184 0.765 7 HA PRO 2 HA PRO 2 15.250 -13.581 4.050 8 HB2 PRO 2 HB2 PRO 2 14.807 -11.441 5.677 9 HB3 PRO 2 HB1 PRO 2 15.522 -11.271 4.060 10 HG2 PRO 2 HG2 PRO 2 12.684 -10.860 4.916 11 HG3 PRO 2 HG1 PRO 2 13.700 -9.839 3.878 12 HD2 PRO 2 HD2 PRO 2 11.872 -11.578 2.852 13 HD3 PRO 2 HD1 PRO 2 13.394 -11.203 2.012 14 H GLN 3 HN GLN 3 15.450 -14.438 6.143 15 HA GLN 3 HA GLN 3 12.955 -15.413 7.339 16 HB2 GLN 3 HB2 GLN 3 15.864 -16.092 7.810 17 HB3 GLN 3 HB1 GLN 3 14.532 -16.791 8.731 18 HG2 GLN 3 HG2 GLN 3 13.570 -17.756 6.735 19 HG3 GLN 3 HG1 GLN 3 14.726 -16.908 5.711 20 HE21 GLN 3 HE21 GLN 3 14.338 -19.866 5.973 21 HE22 GLN 3 HE22 GLN 3 15.841 -20.479 6.469 22 H VAL 4 HN VAL 4 15.010 -12.798 7.714 23 HA VAL 4 HA VAL 4 13.968 -12.270 10.422 24 HB VAL 4 HB VAL 4 16.178 -11.461 11.153 25 HG11 VAL 4 HG11 VAL 4 17.162 -13.624 11.536 26 HG12 VAL 4 HG12 VAL 4 16.387 -14.293 10.100 27 HG13 VAL 4 HG13 VAL 4 15.413 -13.854 11.504 28 HG21 VAL 4 HG21 VAL 4 17.033 -12.526 8.446 29 HG22 VAL 4 HG22 VAL 4 18.163 -12.132 9.742 30 HG23 VAL 4 HG23 VAL 4 17.165 -10.866 9.026 31 H CYS 5 HN CYS 5 14.081 -9.986 11.002 32 HA CYS 5 HA CYS 5 14.387 -8.149 8.705 33 HB2 CYS 5 HB2 CYS 5 12.064 -8.193 10.644 34 HB3 CYS 5 HB1 CYS 5 12.311 -6.993 9.398 35 HA PRO 6 HA PRO 6 16.625 -5.754 11.683 36 HB2 PRO 6 HB2 PRO 6 16.406 -3.237 10.634 37 HB3 PRO 6 HB1 PRO 6 17.411 -4.502 9.895 38 HG2 PRO 6 HG2 PRO 6 14.655 -3.606 9.156 39 HG3 PRO 6 HG1 PRO 6 16.039 -3.969 8.106 40 HD2 PRO 6 HD2 PRO 6 14.023 -5.753 8.508 41 HD3 PRO 6 HD1 PRO 6 15.698 -6.270 8.223 42 H ALA 7 HN ALA 7 16.327 -4.498 13.516 43 HA ALA 7 HA ALA 7 13.550 -3.955 14.274 44 HB1 ALA 7 HB1 ALA 7 14.459 -3.653 16.526 45 HB2 ALA 7 HB2 ALA 7 16.103 -3.774 15.898 46 HB3 ALA 7 HB3 ALA 7 15.030 -5.173 15.840 47 H ILE 8 HN ILE 8 15.796 -2.327 12.609 48 HA ILE 8 HA ILE 8 16.021 0.180 13.874 49 HB ILE 8 HB ILE 8 16.014 -0.473 10.918 50 HG12 ILE 8 HG12 ILE 8 17.719 -1.761 12.099 51 HG13 ILE 8 HG11 ILE 8 18.494 -0.470 11.186 52 HG21 ILE 8 HG21 ILE 8 16.956 1.946 12.475 53 HG22 ILE 8 HG22 ILE 8 15.722 1.894 11.216 54 HG23 ILE 8 HG23 ILE 8 17.415 1.627 10.802 55 HD11 ILE 8 HD11 ILE 8 18.251 0.867 13.466 56 HD12 ILE 8 HD12 ILE 8 19.575 -0.269 13.235 57 HD13 ILE 8 HD13 ILE 8 18.152 -0.753 14.153 58 H TYR 9 HN TYR 9 13.624 -1.104 11.607 59 HA TYR 9 HA TYR 9 11.400 -0.511 11.356 60 HB2 TYR 9 HB2 TYR 9 11.792 0.462 13.808 61 HB3 TYR 9 HB1 TYR 9 11.718 2.008 12.969 62 HD1 TYR 9 HD1 TYR 9 9.866 -1.164 13.587 63 HD2 TYR 9 HD2 TYR 9 9.643 2.897 12.202 64 HE1 TYR 9 HE1 TYR 9 7.391 -1.311 13.551 65 HE2 TYR 9 HE2 TYR 9 7.168 2.750 12.166 66 HH TYR 9 HH TYR 9 5.467 0.076 13.573 67 H GLN 10 HN GLN 10 11.590 -0.075 9.191 68 HA GLN 10 HA GLN 10 12.053 2.768 8.444 69 HB2 GLN 10 HB2 GLN 10 12.978 0.296 6.962 70 HB3 GLN 10 HB1 GLN 10 13.101 1.948 6.358 71 HG2 GLN 10 HG2 GLN 10 14.330 1.000 8.960 72 HG3 GLN 10 HG1 GLN 10 15.211 1.115 7.437 73 HE21 GLN 10 HE21 GLN 10 14.535 2.836 10.244 74 HE22 GLN 10 HE22 GLN 10 14.831 4.403 9.664 75 HA PRO 11 HA PRO 11 7.721 1.246 7.356 76 HB2 PRO 11 HB2 PRO 11 7.660 4.250 7.381 77 HB3 PRO 11 HB1 PRO 11 6.393 3.101 7.866 78 HG2 PRO 11 HG2 PRO 11 7.897 4.276 9.696 79 HG3 PRO 11 HG1 PRO 11 7.458 2.564 9.852 80 HD2 PRO 11 HD2 PRO 11 10.100 3.762 9.146 81 HD3 PRO 11 HD1 PRO 11 9.736 2.205 9.920 82 H VAL 12 HN VAL 12 7.178 0.759 5.435 83 HA VAL 12 HA VAL 12 7.970 2.476 3.145 84 HB VAL 12 HB VAL 12 7.950 -0.539 3.205 85 HG11 VAL 12 HG11 VAL 12 7.338 0.148 1.037 86 HG12 VAL 12 HG12 VAL 12 9.074 -0.145 0.938 87 HG13 VAL 12 HG13 VAL 12 8.463 1.505 1.062 88 HG21 VAL 12 HG21 VAL 12 9.939 0.002 4.308 89 HG22 VAL 12 HG22 VAL 12 10.147 1.510 3.422 90 HG23 VAL 12 HG23 VAL 12 10.478 -0.034 2.636 91 H PHE 13 HN PHE 13 6.602 2.260 1.298 92 HA PHE 13 HA PHE 13 3.825 1.447 1.948 93 HB2 PHE 13 HB2 PHE 13 4.906 3.710 0.264 94 HB3 PHE 13 HB1 PHE 13 3.231 3.178 0.189 95 HD1 PHE 13 HD1 PHE 13 1.688 3.595 1.997 96 HD2 PHE 13 HD2 PHE 13 5.827 4.685 2.349 97 HE1 PHE 13 HE1 PHE 13 1.162 4.933 4.015 98 HE2 PHE 13 HE2 PHE 13 5.302 6.024 4.370 99 HZ PHE 13 HZ PHE 13 2.969 6.149 5.203 100 H ASP 14 HN ASP 14 2.872 -0.005 0.647 101 HA ASP 14 HA ASP 14 4.425 -1.188 -1.503 102 HB2 ASP 14 HB2 ASP 14 2.939 -2.442 0.187 103 HB3 ASP 14 HB1 ASP 14 1.582 -1.889 -0.791 104 H GLU 15 HN GLU 15 3.398 -1.634 -3.612 105 HA GLU 15 HA GLU 15 2.740 0.685 -5.003 106 HB2 GLU 15 HB2 GLU 15 3.589 -1.398 -6.039 107 HB3 GLU 15 HB1 GLU 15 2.035 -2.171 -5.727 108 HG2 GLU 15 HG2 GLU 15 2.110 -1.375 -8.032 109 HG3 GLU 15 HG1 GLU 15 0.922 -0.441 -7.134 110 H PHE 16 HN PHE 16 0.709 -1.425 -3.148 111 HA PHE 16 HA PHE 16 -1.767 -0.416 -4.300 112 HB2 PHE 16 HB2 PHE 16 -1.181 -2.357 -2.047 113 HB3 PHE 16 HB1 PHE 16 -2.801 -1.915 -2.582 114 HD1 PHE 16 HD1 PHE 16 0.263 -3.753 -3.411 115 HD2 PHE 16 HD2 PHE 16 -3.621 -2.570 -4.812 116 HE1 PHE 16 HE1 PHE 16 0.406 -5.435 -5.228 117 HE2 PHE 16 HE2 PHE 16 -3.478 -4.252 -6.630 118 HZ PHE 16 HZ PHE 16 -1.464 -5.684 -6.838 119 H GLY 17 HN GLY 17 0.512 0.669 -2.249 120 HA2 GLY 17 HA2 GLY 17 0.521 2.569 -0.925 121 HA3 GLY 17 HA1 GLY 17 -1.222 2.651 -1.119 122 H ARG 18 HN ARG 18 0.058 -0.366 -0.128 123 HA ARG 18 HA ARG 18 -1.343 -0.215 2.390 124 HB2 ARG 18 HB2 ARG 18 0.410 -2.335 1.152 125 HB3 ARG 18 HB1 ARG 18 -0.357 -2.516 2.727 126 HG2 ARG 18 HG2 ARG 18 -2.562 -2.242 1.732 127 HG3 ARG 18 HG1 ARG 18 -1.843 -1.911 0.155 128 HD2 ARG 18 HD2 ARG 18 -2.596 -4.244 0.268 129 HD3 ARG 18 HD1 ARG 18 -0.841 -4.172 0.145 130 HE ARG 18 HE ARG 18 -0.695 -5.041 2.305 131 HH11 ARG 18 HH11 ARG 18 -1.610 -5.986 4.157 132 HH12 ARG 18 HH12 ARG 18 -3.314 -5.856 4.437 133 HH21 ARG 18 HH21 ARG 18 -3.917 -4.029 1.552 134 HH22 ARG 18 HH22 ARG 18 -4.621 -4.748 2.962 135 H MET 19 HN MET 19 -0.439 -0.322 4.466 136 HA MET 19 HA MET 19 2.173 0.986 4.681 137 HB2 MET 19 HB2 MET 19 -0.024 0.464 6.687 138 HB3 MET 19 HB1 MET 19 1.505 1.249 7.082 139 HG2 MET 19 HG2 MET 19 1.055 3.038 5.499 140 HG3 MET 19 HG1 MET 19 -0.399 2.220 4.934 141 HE1 MET 19 HE1 MET 19 0.365 4.413 8.852 142 HE2 MET 19 HE2 MET 19 1.510 3.893 7.619 143 HE3 MET 19 HE3 MET 19 0.904 2.730 8.795 144 H TYR 20 HN TYR 20 3.953 0.041 5.326 145 HA TYR 20 HA TYR 20 3.870 -2.504 6.832 146 HB2 TYR 20 HB2 TYR 20 5.439 -1.888 4.323 147 HB3 TYR 20 HB1 TYR 20 5.955 -3.134 5.456 148 HD1 TYR 20 HD1 TYR 20 4.418 -5.055 5.976 149 HD2 TYR 20 HD2 TYR 20 3.618 -2.251 2.823 150 HE1 TYR 20 HE1 TYR 20 2.814 -6.654 4.966 151 HE2 TYR 20 HE2 TYR 20 2.017 -3.857 1.810 152 HH TYR 20 HH TYR 20 1.922 -6.906 2.277 153 H SER 21 HN SER 21 5.612 -2.756 8.297 154 HA SER 21 HA SER 21 6.707 -0.306 9.273 155 HB2 SER 21 HB2 SER 21 7.762 -1.615 10.959 156 HB3 SER 21 HB1 SER 21 6.193 -2.358 10.665 157 HG SER 21 HG SER 21 7.528 -3.623 9.029 158 H ASN 22 HN ASN 22 7.985 -2.956 7.274 159 HA ASN 22 HA ASN 22 10.044 -1.198 6.284 160 HB2 ASN 22 HB2 ASN 22 11.952 -2.584 6.966 161 HB3 ASN 22 HB1 ASN 22 11.112 -1.909 8.360 162 HD21 ASN 22 HD21 ASN 22 10.964 -3.457 9.977 163 HD22 ASN 22 HD22 ASN 22 10.695 -5.104 9.725 164 H SER 23 HN SER 23 11.478 -2.366 4.695 165 HA SER 23 HA SER 23 9.885 -3.691 2.773 166 HB2 SER 23 HB2 SER 23 12.882 -3.404 3.033 167 HB3 SER 23 HB1 SER 23 12.092 -4.126 1.635 168 HG SER 23 HG SER 23 10.887 -1.821 2.275 169 H CYS 24 HN CYS 24 12.079 -4.980 5.268 170 HA CYS 24 HA CYS 24 12.224 -7.613 4.282 171 HB2 CYS 24 HB2 CYS 24 13.596 -6.796 6.153 172 HB3 CYS 24 HB1 CYS 24 12.158 -6.660 7.146 173 H GLU 25 HN GLU 25 9.956 -5.998 6.426 174 HA GLU 25 HA GLU 25 8.274 -8.188 6.918 175 HB2 GLU 25 HB2 GLU 25 7.785 -5.222 7.016 176 HB3 GLU 25 HB1 GLU 25 6.540 -6.398 7.436 177 HG2 GLU 25 HG2 GLU 25 9.282 -6.253 8.730 178 HG3 GLU 25 HG1 GLU 25 7.808 -5.599 9.429 179 H MET 26 HN MET 26 8.351 -5.789 4.342 180 HA MET 26 HA MET 26 5.877 -6.394 3.135 181 HB2 MET 26 HB2 MET 26 8.466 -5.346 1.984 182 HB3 MET 26 HB1 MET 26 7.000 -5.490 1.045 183 HG2 MET 26 HG2 MET 26 5.824 -3.992 2.547 184 HG3 MET 26 HG1 MET 26 7.218 -3.925 3.620 185 HE1 MET 26 HE1 MET 26 6.609 -2.047 -0.481 186 HE2 MET 26 HE2 MET 26 5.661 -3.287 0.334 187 HE3 MET 26 HE3 MET 26 7.154 -3.729 -0.490 188 H GLN 27 HN GLN 27 9.128 -7.740 2.635 189 HA GLN 27 HA GLN 27 8.358 -9.568 0.579 190 HB2 GLN 27 HB2 GLN 27 10.740 -9.473 2.435 191 HB3 GLN 27 HB1 GLN 27 10.552 -10.665 1.150 192 HG2 GLN 27 HG2 GLN 27 10.497 -8.942 -0.539 193 HG3 GLN 27 HG1 GLN 27 10.442 -7.676 0.686 194 HE21 GLN 27 HE21 GLN 27 12.532 -8.120 -1.423 195 HE22 GLN 27 HE22 GLN 27 13.993 -8.300 -0.578 196 H ARG 28 HN ARG 28 8.707 -9.786 4.081 197 HA ARG 28 HA ARG 28 8.345 -12.560 4.377 198 HB2 ARG 28 HB2 ARG 28 9.166 -11.064 6.156 199 HB3 ARG 28 HB1 ARG 28 7.568 -10.344 6.280 200 HG2 ARG 28 HG2 ARG 28 6.590 -12.436 6.974 201 HG3 ARG 28 HG1 ARG 28 8.091 -13.304 6.647 202 HD2 ARG 28 HD2 ARG 28 7.907 -11.048 8.652 203 HD3 ARG 28 HD1 ARG 28 7.659 -12.736 9.092 204 HE ARG 28 HE ARG 28 10.187 -11.474 8.420 205 HH11 ARG 28 HH11 ARG 28 12.013 -12.799 8.663 206 HH12 ARG 28 HH12 ARG 28 11.817 -14.508 8.857 207 HH21 ARG 28 HH21 ARG 28 8.357 -14.399 8.686 208 HH22 ARG 28 HH22 ARG 28 9.748 -15.414 8.870 209 H ALA 29 HN ALA 29 6.004 -9.902 4.460 210 HA ALA 29 HA ALA 29 3.737 -11.346 5.175 211 HB1 ALA 29 HB1 ALA 29 2.444 -9.544 4.299 212 HB2 ALA 29 HB2 ALA 29 3.713 -9.097 3.159 213 HB3 ALA 29 HB3 ALA 29 3.946 -8.829 4.887 214 H ARG 30 HN ARG 30 4.982 -10.725 1.883 215 HA ARG 30 HA ARG 30 2.955 -12.267 0.598 216 HB2 ARG 30 HB2 ARG 30 5.695 -11.360 -0.306 217 HB3 ARG 30 HB1 ARG 30 4.575 -12.244 -1.345 218 HG2 ARG 30 HG2 ARG 30 2.866 -10.480 -0.972 219 HG3 ARG 30 HG1 ARG 30 4.029 -9.583 0.006 220 HD2 ARG 30 HD2 ARG 30 5.549 -9.439 -1.932 221 HD3 ARG 30 HD1 ARG 30 4.391 -10.337 -2.909 222 HE ARG 30 HE ARG 30 3.102 -8.077 -1.803 223 HH11 ARG 30 HH11 ARG 30 2.767 -6.265 -3.131 224 HH12 ARG 30 HH12 ARG 30 3.720 -6.060 -4.563 225 HH21 ARG 30 HH21 ARG 30 5.539 -8.973 -4.089 226 HH22 ARG 30 HH22 ARG 30 5.289 -7.594 -5.106 227 H CYS 31 HN CYS 31 6.143 -12.941 1.891 228 HA CYS 31 HA CYS 31 6.512 -15.531 0.841 229 HB2 CYS 31 HB2 CYS 31 8.172 -13.977 2.051 230 HB3 CYS 31 HB1 CYS 31 7.517 -14.644 3.540 231 H LEU 32 HN LEU 32 5.049 -14.395 3.880 232 HA LEU 32 HA LEU 32 4.539 -16.945 4.983 233 HB2 LEU 32 HB2 LEU 32 3.201 -14.267 5.391 234 HB3 LEU 32 HB1 LEU 32 2.792 -15.699 6.331 235 HG LEU 32 HG LEU 32 5.609 -14.598 6.106 236 HD11 LEU 32 HD11 LEU 32 4.201 -12.916 7.167 237 HD12 LEU 32 HD12 LEU 32 5.205 -13.687 8.396 238 HD13 LEU 32 HD13 LEU 32 3.505 -14.131 8.239 239 HD21 LEU 32 HD21 LEU 32 5.853 -16.796 6.865 240 HD22 LEU 32 HD22 LEU 32 4.293 -16.805 7.682 241 HD23 LEU 32 HD23 LEU 32 5.656 -15.949 8.395 242 H ARG 33 HN ARG 33 2.653 -14.868 2.834 243 HA ARG 33 HA ARG 33 0.274 -16.405 2.874 244 HB2 ARG 33 HB2 ARG 33 0.444 -14.067 2.016 245 HB3 ARG 33 HB1 ARG 33 1.327 -14.681 0.618 246 HG2 ARG 33 HG2 ARG 33 -0.597 -16.120 0.037 247 HG3 ARG 33 HG1 ARG 33 -1.483 -15.491 1.427 248 HD2 ARG 33 HD2 ARG 33 -0.440 -13.814 -0.872 249 HD3 ARG 33 HD1 ARG 33 -2.111 -14.337 -0.682 250 HE ARG 33 HE ARG 33 -0.773 -12.231 0.806 251 HH11 ARG 33 HH11 ARG 33 -2.110 -11.055 2.216 252 HH12 ARG 33 HH12 ARG 33 -3.685 -11.658 2.612 253 HH21 ARG 33 HH21 ARG 33 -3.380 -14.501 0.650 254 HH22 ARG 33 HH22 ARG 33 -4.403 -13.608 1.725 255 H GLY 34 HN GLY 34 -0.266 -18.253 1.877 256 HA2 GLY 34 HA2 GLY 34 -0.081 -20.179 0.631 257 HA3 GLY 34 HA1 GLY 34 0.690 -19.173 -0.591 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 11.953 -15.624 0.144 2 H2 CYS 1 HT2 CYS 1 13.198 -16.078 1.207 3 H3 CYS 1 HT3 CYS 1 13.474 -14.882 0.033 4 HA CYS 1 HA CYS 1 12.497 -13.263 1.213 5 HB2 CYS 1 HB2 CYS 1 10.522 -13.680 2.656 6 HB3 CYS 1 HB1 CYS 1 10.284 -14.290 1.018 7 HA PRO 2 HA PRO 2 15.078 -13.890 4.798 8 HB2 PRO 2 HB2 PRO 2 14.516 -11.662 6.261 9 HB3 PRO 2 HB1 PRO 2 15.418 -11.590 4.732 10 HG2 PRO 2 HG2 PRO 2 12.516 -11.058 5.235 11 HG3 PRO 2 HG1 PRO 2 13.676 -10.125 4.270 12 HD2 PRO 2 HD2 PRO 2 11.916 -11.868 3.131 13 HD3 PRO 2 HD1 PRO 2 13.532 -11.571 2.451 14 H GLN 3 HN GLN 3 15.003 -14.702 6.906 15 HA GLN 3 HA GLN 3 12.347 -15.491 7.874 16 HB2 GLN 3 HB2 GLN 3 15.128 -16.300 8.763 17 HB3 GLN 3 HB1 GLN 3 13.623 -16.965 9.399 18 HG2 GLN 3 HG2 GLN 3 14.314 -18.506 7.726 19 HG3 GLN 3 HG1 GLN 3 13.039 -17.552 6.971 20 HE21 GLN 3 HE21 GLN 3 13.696 -17.360 4.808 21 HE22 GLN 3 HE22 GLN 3 15.227 -16.816 4.319 22 H VAL 4 HN VAL 4 14.686 -13.105 8.435 23 HA VAL 4 HA VAL 4 13.361 -12.315 10.957 24 HB VAL 4 HB VAL 4 15.544 -11.682 11.906 25 HG11 VAL 4 HG11 VAL 4 16.345 -13.954 12.376 26 HG12 VAL 4 HG12 VAL 4 15.451 -14.572 10.985 27 HG13 VAL 4 HG13 VAL 4 14.582 -13.921 12.375 28 HG21 VAL 4 HG21 VAL 4 16.562 -12.906 9.329 29 HG22 VAL 4 HG22 VAL 4 17.590 -12.659 10.740 30 HG23 VAL 4 HG23 VAL 4 16.851 -11.275 9.935 31 H CYS 5 HN CYS 5 13.643 -10.016 11.446 32 HA CYS 5 HA CYS 5 14.354 -8.364 9.098 33 HB2 CYS 5 HB2 CYS 5 11.879 -8.065 10.812 34 HB3 CYS 5 HB1 CYS 5 12.351 -6.974 9.531 35 HA PRO 6 HA PRO 6 16.567 -6.004 12.118 36 HB2 PRO 6 HB2 PRO 6 16.696 -3.555 10.911 37 HB3 PRO 6 HB1 PRO 6 17.618 -4.958 10.334 38 HG2 PRO 6 HG2 PRO 6 15.034 -3.848 9.316 39 HG3 PRO 6 HG1 PRO 6 16.453 -4.406 8.408 40 HD2 PRO 6 HD2 PRO 6 14.245 -5.960 8.734 41 HD3 PRO 6 HD1 PRO 6 15.875 -6.652 8.625 42 H ALA 7 HN ALA 7 16.307 -4.485 13.782 43 HA ALA 7 HA ALA 7 13.539 -3.737 14.358 44 HB1 ALA 7 HB1 ALA 7 14.347 -3.249 16.589 45 HB2 ALA 7 HB2 ALA 7 16.022 -3.386 16.055 46 HB3 ALA 7 HB3 ALA 7 14.987 -4.814 16.088 47 H ILE 8 HN ILE 8 15.803 -2.398 12.523 48 HA ILE 8 HA ILE 8 16.193 0.215 13.476 49 HB ILE 8 HB ILE 8 16.077 -0.873 10.655 50 HG12 ILE 8 HG12 ILE 8 18.448 -0.023 12.338 51 HG13 ILE 8 HG11 ILE 8 17.862 -1.686 12.277 52 HG21 ILE 8 HG21 ILE 8 16.837 1.857 11.718 53 HG22 ILE 8 HG22 ILE 8 15.671 1.476 10.450 54 HG23 ILE 8 HG23 ILE 8 17.397 1.262 10.155 55 HD11 ILE 8 HD11 ILE 8 19.750 -1.123 10.655 56 HD12 ILE 8 HD12 ILE 8 18.584 -0.123 9.789 57 HD13 ILE 8 HD13 ILE 8 18.319 -1.860 9.936 58 H TYR 9 HN TYR 9 13.646 -1.155 11.426 59 HA TYR 9 HA TYR 9 11.464 -0.487 11.125 60 HB2 TYR 9 HB2 TYR 9 11.843 0.432 13.572 61 HB3 TYR 9 HB1 TYR 9 11.881 2.000 12.772 62 HD1 TYR 9 HD1 TYR 9 9.878 3.064 12.083 63 HD2 TYR 9 HD2 TYR 9 9.828 -1.092 13.166 64 HE1 TYR 9 HE1 TYR 9 7.400 3.069 11.986 65 HE2 TYR 9 HE2 TYR 9 7.350 -1.088 13.066 66 HH TYR 9 HH TYR 9 5.547 1.896 12.316 67 H GLN 10 HN GLN 10 11.657 -0.051 8.970 68 HA GLN 10 HA GLN 10 12.131 2.789 8.217 69 HB2 GLN 10 HB2 GLN 10 14.051 1.291 7.594 70 HB3 GLN 10 HB1 GLN 10 12.937 0.383 6.569 71 HG2 GLN 10 HG2 GLN 10 12.473 2.344 5.228 72 HG3 GLN 10 HG1 GLN 10 13.400 3.368 6.325 73 HE21 GLN 10 HE21 GLN 10 13.903 2.860 3.411 74 HE22 GLN 10 HE22 GLN 10 15.475 2.228 3.328 75 HA PRO 11 HA PRO 11 7.802 1.316 7.203 76 HB2 PRO 11 HB2 PRO 11 7.700 4.315 7.167 77 HB3 PRO 11 HB1 PRO 11 6.476 3.160 7.737 78 HG2 PRO 11 HG2 PRO 11 8.029 4.410 9.468 79 HG3 PRO 11 HG1 PRO 11 7.641 2.692 9.685 80 HD2 PRO 11 HD2 PRO 11 10.209 3.937 8.786 81 HD3 PRO 11 HD1 PRO 11 9.935 2.428 9.680 82 H VAL 12 HN VAL 12 7.138 0.842 5.301 83 HA VAL 12 HA VAL 12 7.936 2.496 2.964 84 HB VAL 12 HB VAL 12 7.699 -0.509 2.961 85 HG11 VAL 12 HG11 VAL 12 8.978 -0.195 0.821 86 HG12 VAL 12 HG12 VAL 12 8.712 1.539 0.994 87 HG13 VAL 12 HG13 VAL 12 7.339 0.450 0.800 88 HG21 VAL 12 HG21 VAL 12 10.261 -0.331 2.705 89 HG22 VAL 12 HG22 VAL 12 9.594 -0.093 4.316 90 HG23 VAL 12 HG23 VAL 12 10.085 1.300 3.356 91 H PHE 13 HN PHE 13 6.517 2.411 1.183 92 HA PHE 13 HA PHE 13 3.712 1.724 1.860 93 HB2 PHE 13 HB2 PHE 13 4.927 3.916 0.179 94 HB3 PHE 13 HB1 PHE 13 3.242 3.445 -0.000 95 HD1 PHE 13 HD1 PHE 13 5.760 4.728 2.421 96 HD2 PHE 13 HD2 PHE 13 1.593 4.104 1.587 97 HE1 PHE 13 HE1 PHE 13 5.156 6.139 4.372 98 HE2 PHE 13 HE2 PHE 13 0.988 5.509 3.533 99 HZ PHE 13 HZ PHE 13 2.770 6.529 4.928 100 H ASP 14 HN ASP 14 2.553 0.463 0.454 101 HA ASP 14 HA ASP 14 4.036 -0.661 -1.855 102 HB2 ASP 14 HB2 ASP 14 1.862 -1.762 -0.082 103 HB3 ASP 14 HB1 ASP 14 2.157 -2.443 -1.681 104 H GLU 15 HN GLU 15 2.943 -1.012 -3.813 105 HA GLU 15 HA GLU 15 1.523 1.178 -4.798 106 HB2 GLU 15 HB2 GLU 15 1.176 -0.157 -6.809 107 HB3 GLU 15 HB1 GLU 15 2.814 -0.391 -6.199 108 HG2 GLU 15 HG2 GLU 15 2.029 -2.465 -5.035 109 HG3 GLU 15 HG1 GLU 15 0.455 -2.256 -5.804 110 H PHE 16 HN PHE 16 0.337 -1.086 -2.692 111 HA PHE 16 HA PHE 16 -2.410 -1.020 -3.756 112 HB2 PHE 16 HB2 PHE 16 -1.133 -2.613 -1.518 113 HB3 PHE 16 HB1 PHE 16 -2.837 -2.685 -1.951 114 HD1 PHE 16 HD1 PHE 16 0.559 -3.647 -2.900 115 HD2 PHE 16 HD2 PHE 16 -3.551 -3.593 -4.145 116 HE1 PHE 16 HE1 PHE 16 1.077 -5.295 -4.679 117 HE2 PHE 16 HE2 PHE 16 -3.033 -5.241 -5.923 118 HZ PHE 16 HZ PHE 16 -0.720 -6.093 -6.190 119 H GLY 17 HN GLY 17 -0.416 0.806 -1.965 120 HA2 GLY 17 HA2 GLY 17 -0.888 2.669 -0.659 121 HA3 GLY 17 HA1 GLY 17 -2.577 2.177 -0.647 122 H ARG 18 HN ARG 18 -0.709 -0.448 0.083 123 HA ARG 18 HA ARG 18 -1.506 -0.394 2.871 124 HB2 ARG 18 HB2 ARG 18 -0.030 -2.425 1.190 125 HB3 ARG 18 HB1 ARG 18 -0.402 -2.660 2.899 126 HG2 ARG 18 HG2 ARG 18 -2.804 -2.375 2.416 127 HG3 ARG 18 HG1 ARG 18 -2.433 -2.140 0.707 128 HD2 ARG 18 HD2 ARG 18 -1.435 -4.396 0.617 129 HD3 ARG 18 HD1 ARG 18 -1.822 -4.634 2.320 130 HE ARG 18 HE ARG 18 -3.678 -4.738 0.088 131 HH11 ARG 18 HH11 ARG 18 -5.794 -5.363 0.629 132 HH12 ARG 18 HH12 ARG 18 -6.286 -5.388 2.289 133 HH21 ARG 18 HH21 ARG 18 -3.214 -4.324 3.492 134 HH22 ARG 18 HH22 ARG 18 -4.825 -4.800 3.910 135 H MET 19 HN MET 19 -0.209 -0.131 4.621 136 HA MET 19 HA MET 19 2.497 0.906 4.116 137 HB2 MET 19 HB2 MET 19 0.644 1.061 6.494 138 HB3 MET 19 HB1 MET 19 2.309 1.644 6.524 139 HG2 MET 19 HG2 MET 19 1.778 3.081 4.539 140 HG3 MET 19 HG1 MET 19 0.092 2.591 4.687 141 HE1 MET 19 HE1 MET 19 -1.287 4.222 7.721 142 HE2 MET 19 HE2 MET 19 -0.722 2.556 7.658 143 HE3 MET 19 HE3 MET 19 -1.502 3.267 6.248 144 H TYR 20 HN TYR 20 4.285 -0.066 4.746 145 HA TYR 20 HA TYR 20 4.120 -2.489 6.457 146 HB2 TYR 20 HB2 TYR 20 5.747 -1.960 3.966 147 HB3 TYR 20 HB1 TYR 20 6.174 -3.221 5.120 148 HD1 TYR 20 HD1 TYR 20 3.625 -2.063 2.709 149 HD2 TYR 20 HD2 TYR 20 4.842 -5.226 5.349 150 HE1 TYR 20 HE1 TYR 20 1.939 -3.563 1.683 151 HE2 TYR 20 HE2 TYR 20 3.154 -6.730 4.322 152 HH TYR 20 HH TYR 20 1.350 -6.813 2.967 153 H SER 21 HN SER 21 5.727 -2.713 7.999 154 HA SER 21 HA SER 21 6.920 -0.342 8.971 155 HB2 SER 21 HB2 SER 21 6.378 -2.198 10.452 156 HB3 SER 21 HB1 SER 21 7.544 -3.222 9.627 157 HG SER 21 HG SER 21 8.183 -0.756 10.872 158 H ASN 22 HN ASN 22 8.304 -3.083 7.116 159 HA ASN 22 HA ASN 22 10.363 -1.320 6.101 160 HB2 ASN 22 HB2 ASN 22 12.262 -2.629 6.927 161 HB3 ASN 22 HB1 ASN 22 11.342 -1.925 8.256 162 HD21 ASN 22 HD21 ASN 22 11.144 -3.416 9.920 163 HD22 ASN 22 HD22 ASN 22 10.931 -5.078 9.719 164 H SER 23 HN SER 23 11.940 -2.590 4.692 165 HA SER 23 HA SER 23 10.538 -3.926 2.652 166 HB2 SER 23 HB2 SER 23 12.722 -2.766 2.394 167 HB3 SER 23 HB1 SER 23 13.498 -4.068 3.275 168 HG SER 23 HG SER 23 12.307 -4.074 0.731 169 H CYS 24 HN CYS 24 12.551 -5.229 5.284 170 HA CYS 24 HA CYS 24 12.559 -7.905 4.461 171 HB2 CYS 24 HB2 CYS 24 13.903 -7.126 6.338 172 HB3 CYS 24 HB1 CYS 24 12.453 -6.780 7.259 173 H GLU 25 HN GLU 25 10.278 -6.102 6.437 174 HA GLU 25 HA GLU 25 8.485 -8.202 6.952 175 HB2 GLU 25 HB2 GLU 25 8.092 -5.216 6.861 176 HB3 GLU 25 HB1 GLU 25 6.812 -6.339 7.324 177 HG2 GLU 25 HG2 GLU 25 9.534 -6.289 8.647 178 HG3 GLU 25 HG1 GLU 25 8.143 -5.403 9.257 179 H MET 26 HN MET 26 8.743 -5.881 4.299 180 HA MET 26 HA MET 26 6.316 -6.475 2.992 181 HB2 MET 26 HB2 MET 26 8.974 -5.484 1.953 182 HB3 MET 26 HB1 MET 26 7.562 -5.635 0.938 183 HG2 MET 26 HG2 MET 26 6.325 -4.076 2.311 184 HG3 MET 26 HG1 MET 26 7.623 -4.038 3.496 185 HE1 MET 26 HE1 MET 26 8.194 -3.696 -0.696 186 HE2 MET 26 HE2 MET 26 7.246 -2.216 -0.592 187 HE3 MET 26 HE3 MET 26 6.577 -3.725 0.019 188 H GLN 27 HN GLN 27 9.576 -7.847 2.610 189 HA GLN 27 HA GLN 27 8.815 -9.753 0.614 190 HB2 GLN 27 HB2 GLN 27 11.209 -9.553 2.447 191 HB3 GLN 27 HB1 GLN 27 11.027 -10.807 1.221 192 HG2 GLN 27 HG2 GLN 27 10.938 -9.161 -0.546 193 HG3 GLN 27 HG1 GLN 27 10.882 -7.842 0.621 194 HE21 GLN 27 HE21 GLN 27 12.957 -8.366 -1.485 195 HE22 GLN 27 HE22 GLN 27 14.427 -8.496 -0.645 196 H ARG 28 HN ARG 28 9.197 -9.826 4.117 197 HA ARG 28 HA ARG 28 8.856 -12.594 4.514 198 HB2 ARG 28 HB2 ARG 28 9.683 -10.847 6.165 199 HB3 ARG 28 HB1 ARG 28 7.995 -10.424 6.421 200 HG2 ARG 28 HG2 ARG 28 7.494 -12.736 7.085 201 HG3 ARG 28 HG1 ARG 28 9.178 -13.187 6.808 202 HD2 ARG 28 HD2 ARG 28 9.841 -11.436 8.495 203 HD3 ARG 28 HD1 ARG 28 8.131 -11.219 8.860 204 HE ARG 28 HE ARG 28 9.801 -13.465 9.630 205 HH11 ARG 28 HH11 ARG 28 8.798 -14.988 10.985 206 HH12 ARG 28 HH12 ARG 28 7.079 -14.955 11.193 207 HH21 ARG 28 HH21 ARG 28 6.610 -12.242 9.085 208 HH22 ARG 28 HH22 ARG 28 5.839 -13.400 10.117 209 H ALA 29 HN ALA 29 6.512 -9.922 4.646 210 HA ALA 29 HA ALA 29 4.261 -11.464 5.330 211 HB1 ALA 29 HB1 ALA 29 2.954 -9.552 4.356 212 HB2 ALA 29 HB2 ALA 29 4.480 -8.862 3.807 213 HB3 ALA 29 HB3 ALA 29 4.176 -9.067 5.532 214 H ARG 30 HN ARG 30 5.534 -10.521 2.150 215 HA ARG 30 HA ARG 30 3.457 -11.697 0.623 216 HB2 ARG 30 HB2 ARG 30 6.337 -11.055 -0.041 217 HB3 ARG 30 HB1 ARG 30 5.178 -11.656 -1.227 218 HG2 ARG 30 HG2 ARG 30 3.727 -9.740 -0.852 219 HG3 ARG 30 HG1 ARG 30 4.768 -9.164 0.451 220 HD2 ARG 30 HD2 ARG 30 5.260 -7.917 -1.588 221 HD3 ARG 30 HD1 ARG 30 6.634 -8.940 -1.178 222 HE ARG 30 HE ARG 30 4.876 -10.307 -2.953 223 HH11 ARG 30 HH11 ARG 30 5.529 -10.517 -5.119 224 HH12 ARG 30 HH12 ARG 30 6.763 -9.476 -5.750 225 HH21 ARG 30 HH21 ARG 30 7.213 -7.761 -2.771 226 HH22 ARG 30 HH22 ARG 30 7.716 -7.917 -4.421 227 H CYS 31 HN CYS 31 6.470 -12.907 1.950 228 HA CYS 31 HA CYS 31 6.638 -15.360 0.608 229 HB2 CYS 31 HB2 CYS 31 8.288 -14.161 2.224 230 HB3 CYS 31 HB1 CYS 31 7.444 -15.044 3.490 231 H LEU 32 HN LEU 32 4.976 -14.483 3.629 232 HA LEU 32 HA LEU 32 4.090 -17.084 4.294 233 HB2 LEU 32 HB2 LEU 32 2.968 -14.355 4.957 234 HB3 LEU 32 HB1 LEU 32 2.362 -15.852 5.658 235 HG LEU 32 HG LEU 32 5.257 -14.960 5.819 236 HD11 LEU 32 HD11 LEU 32 3.746 -13.395 7.005 237 HD12 LEU 32 HD12 LEU 32 4.753 -14.305 8.133 238 HD13 LEU 32 HD13 LEU 32 3.062 -14.751 7.903 239 HD21 LEU 32 HD21 LEU 32 3.682 -17.293 6.900 240 HD22 LEU 32 HD22 LEU 32 5.017 -16.655 7.859 241 HD23 LEU 32 HD23 LEU 32 5.314 -17.259 6.234 242 H ARG 33 HN ARG 33 2.658 -14.507 2.336 243 HA ARG 33 HA ARG 33 0.220 -15.974 1.854 244 HB2 ARG 33 HB2 ARG 33 1.370 -13.496 0.549 245 HB3 ARG 33 HB1 ARG 33 -0.239 -14.144 0.229 246 HG2 ARG 33 HG2 ARG 33 -0.911 -13.806 2.523 247 HG3 ARG 33 HG1 ARG 33 0.735 -13.382 2.994 248 HD2 ARG 33 HD2 ARG 33 -0.922 -11.820 0.996 249 HD3 ARG 33 HD1 ARG 33 -0.750 -11.388 2.695 250 HE ARG 33 HE ARG 33 1.827 -11.660 1.637 251 HH11 ARG 33 HH11 ARG 33 2.977 -9.813 0.983 252 HH12 ARG 33 HH12 ARG 33 2.120 -8.359 0.596 253 HH21 ARG 33 HH21 ARG 33 -1.007 -9.715 1.240 254 HH22 ARG 33 HH22 ARG 33 -0.136 -8.302 0.741 255 H GLY 34 HN GLY 34 -0.396 -17.030 -0.021 256 HA2 GLY 34 HA2 GLY 34 -0.148 -18.265 -1.947 257 HA3 GLY 34 HA1 GLY 34 1.123 -17.135 -2.407 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 12.264 -16.444 1.339 2 H2 CYS 1 HT2 CYS 1 13.601 -15.401 1.244 3 H3 CYS 1 HT3 CYS 1 12.250 -15.145 0.248 4 HA CYS 1 HA CYS 1 11.774 -13.616 1.809 5 HB2 CYS 1 HB2 CYS 1 10.759 -15.755 3.616 6 HB3 CYS 1 HB1 CYS 1 9.897 -14.412 2.860 7 HA PRO 2 HA PRO 2 15.431 -13.564 4.567 8 HB2 PRO 2 HB2 PRO 2 13.807 -11.282 5.673 9 HB3 PRO 2 HB1 PRO 2 15.552 -11.367 5.351 10 HG2 PRO 2 HG2 PRO 2 13.961 -10.099 3.674 11 HG3 PRO 2 HG1 PRO 2 15.271 -11.126 3.059 12 HD2 PRO 2 HD2 PRO 2 12.322 -11.665 3.105 13 HD3 PRO 2 HD1 PRO 2 13.550 -12.175 1.922 14 H GLN 3 HN GLN 3 15.750 -14.665 6.401 15 HA GLN 3 HA GLN 3 13.624 -15.867 7.840 16 HB2 GLN 3 HB2 GLN 3 16.587 -15.649 8.393 17 HB3 GLN 3 HB1 GLN 3 15.479 -16.598 9.386 18 HG2 GLN 3 HG2 GLN 3 14.885 -17.998 7.512 19 HG3 GLN 3 HG1 GLN 3 15.771 -16.961 6.395 20 HE21 GLN 3 HE21 GLN 3 16.288 -19.835 6.861 21 HE22 GLN 3 HE22 GLN 3 17.876 -19.944 7.449 22 H VAL 4 HN VAL 4 15.697 -13.085 8.499 23 HA VAL 4 HA VAL 4 14.016 -12.421 10.853 24 HB VAL 4 HB VAL 4 16.027 -11.471 11.908 25 HG11 VAL 4 HG11 VAL 4 15.339 -13.831 12.334 26 HG12 VAL 4 HG12 VAL 4 17.080 -13.599 12.485 27 HG13 VAL 4 HG13 VAL 4 16.413 -14.350 11.036 28 HG21 VAL 4 HG21 VAL 4 18.251 -12.131 10.891 29 HG22 VAL 4 HG22 VAL 4 17.357 -10.919 9.972 30 HG23 VAL 4 HG23 VAL 4 17.370 -12.599 9.436 31 H CYS 5 HN CYS 5 14.021 -10.098 11.385 32 HA CYS 5 HA CYS 5 14.477 -8.362 9.027 33 HB2 CYS 5 HB2 CYS 5 12.111 -8.320 10.912 34 HB3 CYS 5 HB1 CYS 5 12.396 -7.154 9.642 35 HA PRO 6 HA PRO 6 16.645 -5.822 11.943 36 HB2 PRO 6 HB2 PRO 6 16.466 -3.366 10.753 37 HB3 PRO 6 HB1 PRO 6 17.490 -4.670 10.114 38 HG2 PRO 6 HG2 PRO 6 14.759 -3.811 9.244 39 HG3 PRO 6 HG1 PRO 6 16.173 -4.232 8.258 40 HD2 PRO 6 HD2 PRO 6 14.141 -5.989 8.694 41 HD3 PRO 6 HD1 PRO 6 15.823 -6.521 8.489 42 H ALA 7 HN ALA 7 16.286 -4.473 13.698 43 HA ALA 7 HA ALA 7 13.486 -3.887 14.327 44 HB1 ALA 7 HB1 ALA 7 15.916 -3.487 16.081 45 HB2 ALA 7 HB2 ALA 7 15.058 -5.022 15.959 46 HB3 ALA 7 HB3 ALA 7 14.229 -3.596 16.584 47 H ILE 8 HN ILE 8 15.729 -2.358 12.612 48 HA ILE 8 HA ILE 8 15.978 0.211 13.741 49 HB ILE 8 HB ILE 8 15.959 -0.604 10.825 50 HG12 ILE 8 HG12 ILE 8 17.661 -1.829 12.080 51 HG13 ILE 8 HG11 ILE 8 18.438 -0.601 11.088 52 HG21 ILE 8 HG21 ILE 8 17.372 1.480 10.590 53 HG22 ILE 8 HG22 ILE 8 16.908 1.898 12.238 54 HG23 ILE 8 HG23 ILE 8 15.678 1.776 10.981 55 HD11 ILE 8 HD11 ILE 8 18.110 -0.703 14.067 56 HD12 ILE 8 HD12 ILE 8 18.208 0.873 13.286 57 HD13 ILE 8 HD13 ILE 8 19.529 -0.278 13.116 58 H TYR 9 HN TYR 9 13.573 -1.147 11.520 59 HA TYR 9 HA TYR 9 11.356 -0.540 11.230 60 HB2 TYR 9 HB2 TYR 9 11.737 0.493 13.657 61 HB3 TYR 9 HB1 TYR 9 11.690 2.018 12.778 62 HD1 TYR 9 HD1 TYR 9 9.791 -1.135 13.393 63 HD2 TYR 9 HD2 TYR 9 9.630 2.937 12.037 64 HE1 TYR 9 HE1 TYR 9 7.315 -1.250 13.343 65 HE2 TYR 9 HE2 TYR 9 7.153 2.822 11.987 66 HH TYR 9 HH TYR 9 5.419 0.019 13.233 67 H GLN 10 HN GLN 10 11.527 -0.151 9.059 68 HA GLN 10 HA GLN 10 12.060 2.663 8.243 69 HB2 GLN 10 HB2 GLN 10 13.941 1.089 7.662 70 HB3 GLN 10 HB1 GLN 10 12.806 0.207 6.641 71 HG2 GLN 10 HG2 GLN 10 14.009 1.780 5.246 72 HG3 GLN 10 HG1 GLN 10 12.349 2.348 5.408 73 HE21 GLN 10 HE21 GLN 10 12.371 4.587 5.622 74 HE22 GLN 10 HE22 GLN 10 13.479 5.462 6.563 75 HA PRO 11 HA PRO 11 7.686 1.260 7.250 76 HB2 PRO 11 HB2 PRO 11 7.706 4.258 7.134 77 HB3 PRO 11 HB1 PRO 11 6.417 3.172 7.691 78 HG2 PRO 11 HG2 PRO 11 7.981 4.384 9.443 79 HG3 PRO 11 HG1 PRO 11 7.503 2.691 9.680 80 HD2 PRO 11 HD2 PRO 11 10.158 3.793 8.867 81 HD3 PRO 11 HD1 PRO 11 9.775 2.290 9.732 82 H VAL 12 HN VAL 12 7.052 0.746 5.346 83 HA VAL 12 HA VAL 12 7.943 2.290 2.973 84 HB VAL 12 HB VAL 12 7.590 -0.698 2.879 85 HG11 VAL 12 HG11 VAL 12 9.299 -0.457 1.098 86 HG12 VAL 12 HG12 VAL 12 9.307 1.285 1.374 87 HG13 VAL 12 HG13 VAL 12 7.848 0.495 0.773 88 HG21 VAL 12 HG21 VAL 12 9.119 -0.365 4.719 89 HG22 VAL 12 HG22 VAL 12 10.053 0.807 3.795 90 HG23 VAL 12 HG23 VAL 12 10.045 -0.892 3.318 91 H PHE 13 HN PHE 13 6.523 2.267 1.200 92 HA PHE 13 HA PHE 13 3.730 1.464 1.808 93 HB2 PHE 13 HB2 PHE 13 4.865 3.867 0.378 94 HB3 PHE 13 HB1 PHE 13 3.197 3.358 0.153 95 HD1 PHE 13 HD1 PHE 13 1.541 3.733 1.827 96 HD2 PHE 13 HD2 PHE 13 5.680 4.498 2.673 97 HE1 PHE 13 HE1 PHE 13 0.896 4.879 3.924 98 HE2 PHE 13 HE2 PHE 13 5.038 5.645 4.777 99 HZ PHE 13 HZ PHE 13 2.645 5.836 5.403 100 H ASP 14 HN ASP 14 2.678 0.230 0.330 101 HA ASP 14 HA ASP 14 4.194 -0.565 -2.089 102 HB2 ASP 14 HB2 ASP 14 2.014 -1.882 -0.487 103 HB3 ASP 14 HB1 ASP 14 2.342 -2.387 -2.142 104 H GLU 15 HN GLU 15 3.125 -0.746 -4.094 105 HA GLU 15 HA GLU 15 1.684 1.514 -4.873 106 HB2 GLU 15 HB2 GLU 15 1.379 0.379 -7.011 107 HB3 GLU 15 HB1 GLU 15 3.014 0.112 -6.409 108 HG2 GLU 15 HG2 GLU 15 2.240 -2.074 -5.449 109 HG3 GLU 15 HG1 GLU 15 0.684 -1.818 -6.238 110 H PHE 16 HN PHE 16 0.513 -0.931 -2.993 111 HA PHE 16 HA PHE 16 -2.220 -0.833 -4.087 112 HB2 PHE 16 HB2 PHE 16 -0.921 -2.593 -1.993 113 HB3 PHE 16 HB1 PHE 16 -2.631 -2.643 -2.409 114 HD1 PHE 16 HD1 PHE 16 0.762 -3.481 -3.485 115 HD2 PHE 16 HD2 PHE 16 -3.366 -3.366 -4.661 116 HE1 PHE 16 HE1 PHE 16 1.270 -4.960 -5.409 117 HE2 PHE 16 HE2 PHE 16 -2.858 -4.844 -6.586 118 HZ PHE 16 HZ PHE 16 -0.540 -5.642 -6.961 119 H GLY 17 HN GLY 17 -0.282 0.866 -2.110 120 HA2 GLY 17 HA2 GLY 17 -0.803 2.603 -0.663 121 HA3 GLY 17 HA1 GLY 17 -2.487 2.102 -0.739 122 H ARG 18 HN ARG 18 -0.548 -0.539 -0.145 123 HA ARG 18 HA ARG 18 -1.493 -0.760 2.577 124 HB2 ARG 18 HB2 ARG 18 0.251 -2.536 0.868 125 HB3 ARG 18 HB1 ARG 18 -0.225 -2.935 2.516 126 HG2 ARG 18 HG2 ARG 18 -2.593 -2.813 1.874 127 HG3 ARG 18 HG1 ARG 18 -2.137 -2.364 0.231 128 HD2 ARG 18 HD2 ARG 18 -0.937 -4.511 -0.018 129 HD3 ARG 18 HD1 ARG 18 -1.415 -4.962 1.616 130 HE ARG 18 HE ARG 18 -3.740 -4.322 0.169 131 HH11 ARG 18 HH11 ARG 18 -5.005 -6.000 -0.694 132 HH12 ARG 18 HH12 ARG 18 -4.305 -7.564 -0.944 133 HH21 ARG 18 HH21 ARG 18 -1.177 -6.645 0.239 134 HH22 ARG 18 HH22 ARG 18 -2.138 -7.929 -0.417 135 H MET 19 HN MET 19 -0.306 -0.662 4.434 136 HA MET 19 HA MET 19 2.281 0.725 4.250 137 HB2 MET 19 HB2 MET 19 0.444 0.280 6.616 138 HB3 MET 19 HB1 MET 19 1.900 1.276 6.607 139 HG2 MET 19 HG2 MET 19 0.922 2.755 4.926 140 HG3 MET 19 HG1 MET 19 -0.510 1.730 4.823 141 HE1 MET 19 HE1 MET 19 -2.519 3.581 5.775 142 HE2 MET 19 HE2 MET 19 -1.120 4.234 4.926 143 HE3 MET 19 HE3 MET 19 -1.678 5.003 6.409 144 H TYR 20 HN TYR 20 4.144 -0.133 4.907 145 HA TYR 20 HA TYR 20 4.141 -2.697 6.402 146 HB2 TYR 20 HB2 TYR 20 5.782 -1.935 3.981 147 HB3 TYR 20 HB1 TYR 20 6.209 -3.263 5.057 148 HD1 TYR 20 HD1 TYR 20 3.887 -2.077 2.489 149 HD2 TYR 20 HD2 TYR 20 4.757 -5.248 5.256 150 HE1 TYR 20 HE1 TYR 20 2.292 -3.552 1.298 151 HE2 TYR 20 HE2 TYR 20 3.157 -6.725 4.063 152 HH TYR 20 HH TYR 20 0.872 -5.629 1.945 153 H SER 21 HN SER 21 5.648 -2.819 8.026 154 HA SER 21 HA SER 21 6.763 -0.411 9.016 155 HB2 SER 21 HB2 SER 21 6.205 -2.271 10.496 156 HB3 SER 21 HB1 SER 21 7.421 -3.279 9.721 157 HG SER 21 HG SER 21 8.304 -2.362 11.562 158 H ASN 22 HN ASN 22 8.237 -3.162 7.265 159 HA ASN 22 HA ASN 22 10.333 -1.393 6.304 160 HB2 ASN 22 HB2 ASN 22 12.180 -2.786 7.119 161 HB3 ASN 22 HB1 ASN 22 11.271 -2.063 8.444 162 HD21 ASN 22 HD21 ASN 22 10.998 -3.554 10.087 163 HD22 ASN 22 HD22 ASN 22 10.731 -5.204 9.870 164 H SER 23 HN SER 23 11.839 -2.604 4.804 165 HA SER 23 HA SER 23 10.331 -3.957 2.838 166 HB2 SER 23 HB2 SER 23 13.305 -3.650 3.238 167 HB3 SER 23 HB1 SER 23 12.607 -4.453 1.836 168 HG SER 23 HG SER 23 11.345 -2.460 1.593 169 H CYS 24 HN CYS 24 12.343 -5.222 5.489 170 HA CYS 24 HA CYS 24 12.496 -7.881 4.550 171 HB2 CYS 24 HB2 CYS 24 13.782 -7.050 6.481 172 HB3 CYS 24 HB1 CYS 24 12.293 -6.885 7.391 173 H GLU 25 HN GLU 25 10.148 -6.162 6.521 174 HA GLU 25 HA GLU 25 8.374 -8.288 6.989 175 HB2 GLU 25 HB2 GLU 25 7.944 -5.307 6.904 176 HB3 GLU 25 HB1 GLU 25 6.658 -6.442 7.305 177 HG2 GLU 25 HG2 GLU 25 9.321 -6.386 8.741 178 HG3 GLU 25 HG1 GLU 25 7.902 -5.502 9.294 179 H MET 26 HN MET 26 8.688 -5.986 4.333 180 HA MET 26 HA MET 26 6.280 -6.539 2.991 181 HB2 MET 26 HB2 MET 26 8.975 -5.637 1.966 182 HB3 MET 26 HB1 MET 26 7.564 -5.756 0.944 183 HG2 MET 26 HG2 MET 26 6.364 -4.152 2.312 184 HG3 MET 26 HG1 MET 26 7.684 -4.121 3.480 185 HE1 MET 26 HE1 MET 26 8.213 -3.983 -0.681 186 HE2 MET 26 HE2 MET 26 7.379 -2.432 -0.695 187 HE3 MET 26 HE3 MET 26 6.590 -3.842 0.006 188 H GLN 27 HN GLN 27 9.509 -8.016 2.647 189 HA GLN 27 HA GLN 27 8.681 -9.899 0.655 190 HB2 GLN 27 HB2 GLN 27 11.088 -9.770 2.474 191 HB3 GLN 27 HB1 GLN 27 10.858 -11.030 1.261 192 HG2 GLN 27 HG2 GLN 27 10.812 -9.400 -0.523 193 HG3 GLN 27 HG1 GLN 27 10.810 -8.067 0.631 194 HE21 GLN 27 HE21 GLN 27 12.852 -8.686 -1.484 195 HE22 GLN 27 HE22 GLN 27 14.322 -8.857 -0.652 196 H ARG 28 HN ARG 28 9.110 -10.045 4.166 197 HA ARG 28 HA ARG 28 8.600 -12.806 4.463 198 HB2 ARG 28 HB2 ARG 28 9.594 -11.297 6.197 199 HB3 ARG 28 HB1 ARG 28 7.991 -10.618 6.454 200 HG2 ARG 28 HG2 ARG 28 7.115 -12.818 7.062 201 HG3 ARG 28 HG1 ARG 28 8.682 -13.557 6.732 202 HD2 ARG 28 HD2 ARG 28 8.230 -11.387 8.794 203 HD3 ARG 28 HD1 ARG 28 8.276 -13.107 9.167 204 HE ARG 28 HE ARG 28 10.633 -12.524 7.785 205 HH11 ARG 28 HH11 ARG 28 12.541 -12.088 8.920 206 HH12 ARG 28 HH12 ARG 28 12.464 -11.551 10.565 207 HH21 ARG 28 HH21 ARG 28 9.004 -11.622 10.703 208 HH22 ARG 28 HH22 ARG 28 10.462 -11.289 11.575 209 H ALA 29 HN ALA 29 6.459 -9.993 4.803 210 HA ALA 29 HA ALA 29 4.121 -11.412 5.447 211 HB1 ALA 29 HB1 ALA 29 4.367 -8.770 3.991 212 HB2 ALA 29 HB2 ALA 29 4.353 -8.979 5.742 213 HB3 ALA 29 HB3 ALA 29 2.919 -9.376 4.796 214 H ARG 30 HN ARG 30 5.302 -10.292 2.269 215 HA ARG 30 HA ARG 30 3.098 -11.303 0.795 216 HB2 ARG 30 HB2 ARG 30 5.945 -10.676 -0.010 217 HB3 ARG 30 HB1 ARG 30 4.703 -11.179 -1.157 218 HG2 ARG 30 HG2 ARG 30 3.307 -9.266 -0.529 219 HG3 ARG 30 HG1 ARG 30 4.491 -8.778 0.684 220 HD2 ARG 30 HD2 ARG 30 4.802 -7.449 -1.344 221 HD3 ARG 30 HD1 ARG 30 6.188 -8.510 -1.110 222 HE ARG 30 HE ARG 30 4.221 -9.755 -2.763 223 HH11 ARG 30 HH11 ARG 30 4.678 -9.913 -4.981 224 HH12 ARG 30 HH12 ARG 30 5.904 -8.908 -5.681 225 HH21 ARG 30 HH21 ARG 30 6.688 -7.329 -2.694 226 HH22 ARG 30 HH22 ARG 30 7.041 -7.446 -4.387 227 H CYS 31 HN CYS 31 6.201 -12.655 1.751 228 HA CYS 31 HA CYS 31 6.099 -15.048 0.274 229 HB2 CYS 31 HB2 CYS 31 8.116 -14.191 1.395 230 HB3 CYS 31 HB1 CYS 31 7.384 -14.515 2.964 231 H LEU 32 HN LEU 32 5.001 -14.277 3.572 232 HA LEU 32 HA LEU 32 4.043 -16.866 4.206 233 HB2 LEU 32 HB2 LEU 32 3.291 -14.126 5.241 234 HB3 LEU 32 HB1 LEU 32 2.649 -15.620 5.916 235 HG LEU 32 HG LEU 32 5.617 -15.047 5.675 236 HD11 LEU 32 HD11 LEU 32 5.568 -14.436 8.039 237 HD12 LEU 32 HD12 LEU 32 3.829 -14.721 8.104 238 HD13 LEU 32 HD13 LEU 32 4.468 -13.389 7.142 239 HD21 LEU 32 HD21 LEU 32 5.410 -17.365 5.979 240 HD22 LEU 32 HD22 LEU 32 3.945 -17.215 6.947 241 HD23 LEU 32 HD23 LEU 32 5.510 -16.808 7.645 242 H ARG 33 HN ARG 33 2.585 -14.083 2.616 243 HA ARG 33 HA ARG 33 -0.091 -14.918 2.589 244 HB2 ARG 33 HB2 ARG 33 0.719 -12.658 1.909 245 HB3 ARG 33 HB1 ARG 33 1.363 -13.370 0.430 246 HG2 ARG 33 HG2 ARG 33 -0.894 -14.130 -0.201 247 HG3 ARG 33 HG1 ARG 33 -1.545 -13.440 1.285 248 HD2 ARG 33 HD2 ARG 33 -0.118 -11.870 -0.879 249 HD3 ARG 33 HD1 ARG 33 -1.865 -11.931 -0.663 250 HE ARG 33 HE ARG 33 -0.751 -11.129 1.777 251 HH11 ARG 33 HH11 ARG 33 -0.670 -8.921 2.313 252 HH12 ARG 33 HH12 ARG 33 -0.752 -7.728 1.060 253 HH21 ARG 33 HH21 ARG 33 -1.001 -10.053 -1.501 254 HH22 ARG 33 HH22 ARG 33 -0.939 -8.369 -1.100 255 H GLY 34 HN GLY 34 2.560 -15.569 0.317 256 HA2 GLY 34 HA2 GLY 34 1.234 -16.879 -1.711 257 HA3 GLY 34 HA1 GLY 34 2.860 -17.300 -1.180 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 13.432 -14.252 0.599 2 H2 CYS 1 HT2 CYS 1 11.882 -14.759 0.122 3 H3 CYS 1 HT3 CYS 1 12.823 -15.739 1.143 4 HA CYS 1 HA CYS 1 11.725 -13.070 1.819 5 HB2 CYS 1 HB2 CYS 1 10.895 -15.397 3.435 6 HB3 CYS 1 HB1 CYS 1 9.912 -14.120 2.716 7 HA PRO 2 HA PRO 2 15.581 -13.303 4.312 8 HB2 PRO 2 HB2 PRO 2 14.108 -11.044 5.646 9 HB3 PRO 2 HB1 PRO 2 15.822 -11.157 5.195 10 HG2 PRO 2 HG2 PRO 2 14.151 -9.741 3.720 11 HG3 PRO 2 HG1 PRO 2 15.392 -10.751 2.952 12 HD2 PRO 2 HD2 PRO 2 12.440 -11.235 3.167 13 HD3 PRO 2 HD1 PRO 2 13.569 -11.682 1.866 14 H GLN 3 HN GLN 3 15.972 -14.459 6.124 15 HA GLN 3 HA GLN 3 13.897 -15.755 7.530 16 HB2 GLN 3 HB2 GLN 3 16.221 -16.633 7.236 17 HB3 GLN 3 HB1 GLN 3 16.778 -15.430 8.398 18 HG2 GLN 3 HG2 GLN 3 16.417 -17.546 9.553 19 HG3 GLN 3 HG1 GLN 3 15.202 -16.387 10.085 20 HE21 GLN 3 HE21 GLN 3 13.218 -17.430 10.287 21 HE22 GLN 3 HE22 GLN 3 12.625 -18.607 9.219 22 H VAL 4 HN VAL 4 15.831 -12.897 8.285 23 HA VAL 4 HA VAL 4 14.070 -12.383 10.620 24 HB VAL 4 HB VAL 4 16.007 -11.386 11.772 25 HG11 VAL 4 HG11 VAL 4 15.368 -13.855 11.959 26 HG12 VAL 4 HG12 VAL 4 17.017 -13.448 12.432 27 HG13 VAL 4 HG13 VAL 4 16.708 -14.184 10.860 28 HG21 VAL 4 HG21 VAL 4 18.285 -11.860 10.829 29 HG22 VAL 4 HG22 VAL 4 17.347 -10.734 9.848 30 HG23 VAL 4 HG23 VAL 4 17.509 -12.417 9.346 31 H CYS 5 HN CYS 5 13.986 -10.091 11.236 32 HA CYS 5 HA CYS 5 14.324 -8.274 8.913 33 HB2 CYS 5 HB2 CYS 5 12.102 -8.280 10.967 34 HB3 CYS 5 HB1 CYS 5 12.256 -7.149 9.644 35 HA PRO 6 HA PRO 6 16.619 -5.788 11.793 36 HB2 PRO 6 HB2 PRO 6 16.409 -3.316 10.665 37 HB3 PRO 6 HB1 PRO 6 17.371 -4.616 9.932 38 HG2 PRO 6 HG2 PRO 6 14.596 -3.716 9.262 39 HG3 PRO 6 HG1 PRO 6 15.943 -4.102 8.174 40 HD2 PRO 6 HD2 PRO 6 13.943 -5.879 8.681 41 HD3 PRO 6 HD1 PRO 6 15.609 -6.401 8.354 42 H ALA 7 HN ALA 7 16.342 -4.441 13.579 43 HA ALA 7 HA ALA 7 13.578 -3.956 14.387 44 HB1 ALA 7 HB1 ALA 7 14.545 -3.445 16.574 45 HB2 ALA 7 HB2 ALA 7 16.169 -3.514 15.891 46 HB3 ALA 7 HB3 ALA 7 15.183 -4.973 15.970 47 H ILE 8 HN ILE 8 15.747 -2.302 12.583 48 HA ILE 8 HA ILE 8 15.798 0.289 13.674 49 HB ILE 8 HB ILE 8 15.916 -0.655 10.801 50 HG12 ILE 8 HG12 ILE 8 18.109 0.355 12.632 51 HG13 ILE 8 HG11 ILE 8 17.716 -1.357 12.458 52 HG21 ILE 8 HG21 ILE 8 16.336 2.077 12.035 53 HG22 ILE 8 HG22 ILE 8 15.256 1.646 10.709 54 HG23 ILE 8 HG23 ILE 8 17.001 1.633 10.464 55 HD11 ILE 8 HD11 ILE 8 18.151 -1.227 10.041 56 HD12 ILE 8 HD12 ILE 8 19.567 -0.698 10.950 57 HD13 ILE 8 HD13 ILE 8 18.512 0.493 10.190 58 H TYR 9 HN TYR 9 13.504 -1.265 11.460 59 HA TYR 9 HA TYR 9 11.263 -0.837 11.119 60 HB2 TYR 9 HB2 TYR 9 11.497 0.084 13.602 61 HB3 TYR 9 HB1 TYR 9 11.334 1.650 12.813 62 HD1 TYR 9 HD1 TYR 9 9.712 -1.686 13.205 63 HD2 TYR 9 HD2 TYR 9 9.217 2.426 12.058 64 HE1 TYR 9 HE1 TYR 9 7.258 -2.017 13.076 65 HE2 TYR 9 HE2 TYR 9 6.763 2.093 11.929 66 HH TYR 9 HH TYR 9 5.152 0.372 11.701 67 H GLN 10 HN GLN 10 11.448 -0.322 8.980 68 HA GLN 10 HA GLN 10 11.685 2.566 8.309 69 HB2 GLN 10 HB2 GLN 10 12.827 0.236 6.749 70 HB3 GLN 10 HB1 GLN 10 12.876 1.930 6.260 71 HG2 GLN 10 HG2 GLN 10 14.229 2.507 8.189 72 HG3 GLN 10 HG1 GLN 10 14.065 0.877 8.839 73 HE21 GLN 10 HE21 GLN 10 16.588 2.280 8.054 74 HE22 GLN 10 HE22 GLN 10 17.301 1.301 6.864 75 HA PRO 11 HA PRO 11 7.533 0.644 7.088 76 HB2 PRO 11 HB2 PRO 11 7.183 3.631 7.230 77 HB3 PRO 11 HB1 PRO 11 6.021 2.347 7.635 78 HG2 PRO 11 HG2 PRO 11 7.367 3.579 9.551 79 HG3 PRO 11 HG1 PRO 11 7.086 1.828 9.626 80 HD2 PRO 11 HD2 PRO 11 9.621 3.293 9.049 81 HD3 PRO 11 HD1 PRO 11 9.385 1.672 9.734 82 H VAL 12 HN VAL 12 7.120 0.185 5.147 83 HA VAL 12 HA VAL 12 8.024 1.931 2.921 84 HB VAL 12 HB VAL 12 7.610 -1.058 2.949 85 HG11 VAL 12 HG11 VAL 12 8.904 -0.794 0.751 86 HG12 VAL 12 HG12 VAL 12 8.490 0.917 0.858 87 HG13 VAL 12 HG13 VAL 12 7.213 -0.296 0.756 88 HG21 VAL 12 HG21 VAL 12 10.117 0.646 3.013 89 HG22 VAL 12 HG22 VAL 12 10.112 -1.091 2.707 90 HG23 VAL 12 HG23 VAL 12 9.568 -0.469 4.263 91 H PHE 13 HN PHE 13 6.710 1.834 0.987 92 HA PHE 13 HA PHE 13 3.823 1.583 1.592 93 HB2 PHE 13 HB2 PHE 13 5.358 3.299 -0.362 94 HB3 PHE 13 HB1 PHE 13 3.610 3.104 -0.428 95 HD1 PHE 13 HD1 PHE 13 6.434 4.394 1.580 96 HD2 PHE 13 HD2 PHE 13 2.164 4.079 1.246 97 HE1 PHE 13 HE1 PHE 13 6.169 6.105 3.355 98 HE2 PHE 13 HE2 PHE 13 1.898 5.789 3.018 99 HZ PHE 13 HZ PHE 13 3.900 6.804 4.074 100 H ASP 14 HN ASP 14 2.659 0.101 0.547 101 HA ASP 14 HA ASP 14 3.948 -1.595 -1.444 102 HB2 ASP 14 HB2 ASP 14 2.440 -2.402 0.485 103 HB3 ASP 14 HB1 ASP 14 1.096 -1.821 -0.494 104 H GLU 15 HN GLU 15 2.768 -2.182 -3.427 105 HA GLU 15 HA GLU 15 2.272 -0.002 -5.085 106 HB2 GLU 15 HB2 GLU 15 2.845 -2.276 -5.875 107 HB3 GLU 15 HB1 GLU 15 1.244 -2.833 -5.397 108 HG2 GLU 15 HG2 GLU 15 1.264 -2.346 -7.787 109 HG3 GLU 15 HG1 GLU 15 0.229 -1.187 -6.967 110 H PHE 16 HN PHE 16 0.141 -1.635 -2.888 111 HA PHE 16 HA PHE 16 -2.278 -0.513 -4.056 112 HB2 PHE 16 HB2 PHE 16 -1.763 -2.220 -1.606 113 HB3 PHE 16 HB1 PHE 16 -3.357 -1.652 -2.096 114 HD1 PHE 16 HD1 PHE 16 -4.417 -2.470 -4.160 115 HD2 PHE 16 HD2 PHE 16 -0.580 -3.920 -2.884 116 HE1 PHE 16 HE1 PHE 16 -4.599 -4.358 -5.757 117 HE2 PHE 16 HE2 PHE 16 -0.762 -5.808 -4.481 118 HZ PHE 16 HZ PHE 16 -2.771 -6.027 -5.919 119 H GLY 17 HN GLY 17 0.213 0.571 -2.274 120 HA2 GLY 17 HA2 GLY 17 0.486 2.616 -1.220 121 HA3 GLY 17 HA1 GLY 17 -1.249 2.851 -1.329 122 H ARG 18 HN ARG 18 -0.223 -0.140 -0.027 123 HA ARG 18 HA ARG 18 -1.372 0.525 2.555 124 HB2 ARG 18 HB2 ARG 18 -0.111 -2.001 1.477 125 HB3 ARG 18 HB1 ARG 18 -0.783 -1.857 3.099 126 HG2 ARG 18 HG2 ARG 18 -2.973 -1.259 2.152 127 HG3 ARG 18 HG1 ARG 18 -2.307 -1.372 0.523 128 HD2 ARG 18 HD2 ARG 18 -1.776 -3.749 0.901 129 HD3 ARG 18 HD1 ARG 18 -2.437 -3.640 2.529 130 HE ARG 18 HE ARG 18 -4.412 -2.784 0.716 131 HH11 ARG 18 HH11 ARG 18 -6.068 -4.226 0.131 132 HH12 ARG 18 HH12 ARG 18 -5.834 -5.931 0.331 133 HH21 ARG 18 HH21 ARG 18 -2.629 -5.610 1.615 134 HH22 ARG 18 HH22 ARG 18 -3.887 -6.715 1.171 135 H MET 19 HN MET 19 -0.301 0.661 4.510 136 HA MET 19 HA MET 19 2.557 1.308 4.323 137 HB2 MET 19 HB2 MET 19 0.573 1.677 6.580 138 HB3 MET 19 HB1 MET 19 2.243 2.245 6.581 139 HG2 MET 19 HG2 MET 19 1.791 3.662 4.633 140 HG3 MET 19 HG1 MET 19 0.135 3.061 4.561 141 HE1 MET 19 HE1 MET 19 0.769 6.439 4.971 142 HE2 MET 19 HE2 MET 19 -0.858 6.405 5.647 143 HE3 MET 19 HE3 MET 19 -0.439 5.320 4.325 144 H TYR 20 HN TYR 20 4.136 0.126 5.180 145 HA TYR 20 HA TYR 20 3.448 -2.194 6.904 146 HB2 TYR 20 HB2 TYR 20 5.338 -1.989 4.558 147 HB3 TYR 20 HB1 TYR 20 5.629 -3.171 5.831 148 HD1 TYR 20 HD1 TYR 20 3.096 -2.012 3.352 149 HD2 TYR 20 HD2 TYR 20 4.381 -5.183 5.956 150 HE1 TYR 20 HE1 TYR 20 1.422 -3.529 2.333 151 HE2 TYR 20 HE2 TYR 20 2.698 -6.697 4.937 152 HH TYR 20 HH TYR 20 0.185 -5.929 3.465 153 H SER 21 HN SER 21 5.894 -2.982 7.662 154 HA SER 21 HA SER 21 6.799 -0.725 9.318 155 HB2 SER 21 HB2 SER 21 8.108 -3.006 10.214 156 HB3 SER 21 HB1 SER 21 6.595 -2.378 10.862 157 HG SER 21 HG SER 21 6.026 -4.354 10.264 158 H ASN 22 HN ASN 22 8.158 -3.286 7.200 159 HA ASN 22 HA ASN 22 10.191 -1.473 6.272 160 HB2 ASN 22 HB2 ASN 22 12.121 -2.774 7.062 161 HB3 ASN 22 HB1 ASN 22 11.195 -2.106 8.406 162 HD21 ASN 22 HD21 ASN 22 10.976 -3.628 10.044 163 HD22 ASN 22 HD22 ASN 22 10.798 -5.292 9.808 164 H SER 23 HN SER 23 11.869 -2.783 4.912 165 HA SER 23 HA SER 23 10.506 -4.016 2.783 166 HB2 SER 23 HB2 SER 23 12.732 -2.932 2.629 167 HB3 SER 23 HB1 SER 23 13.430 -4.269 3.523 168 HG SER 23 HG SER 23 13.269 -5.506 1.817 169 H CYS 24 HN CYS 24 12.401 -5.443 5.434 170 HA CYS 24 HA CYS 24 12.323 -8.110 4.571 171 HB2 CYS 24 HB2 CYS 24 13.695 -7.337 6.450 172 HB3 CYS 24 HB1 CYS 24 12.249 -7.027 7.385 173 H GLU 25 HN GLU 25 10.108 -6.263 6.595 174 HA GLU 25 HA GLU 25 8.240 -8.311 7.084 175 HB2 GLU 25 HB2 GLU 25 7.945 -5.308 7.027 176 HB3 GLU 25 HB1 GLU 25 6.655 -6.402 7.533 177 HG2 GLU 25 HG2 GLU 25 9.424 -6.428 8.757 178 HG3 GLU 25 HG1 GLU 25 8.084 -5.502 9.422 179 H MET 26 HN MET 26 8.540 -5.916 4.498 180 HA MET 26 HA MET 26 6.103 -6.416 3.178 181 HB2 MET 26 HB2 MET 26 8.780 -5.412 2.234 182 HB3 MET 26 HB1 MET 26 7.426 -5.564 1.142 183 HG2 MET 26 HG2 MET 26 7.282 -4.027 3.736 184 HG3 MET 26 HG1 MET 26 7.696 -3.276 2.198 185 HE1 MET 26 HE1 MET 26 4.728 -3.197 0.088 186 HE2 MET 26 HE2 MET 26 5.564 -4.743 -0.010 187 HE3 MET 26 HE3 MET 26 6.488 -3.264 0.233 188 H GLN 27 HN GLN 27 9.343 -7.822 2.686 189 HA GLN 27 HA GLN 27 8.505 -9.630 0.635 190 HB2 GLN 27 HB2 GLN 27 10.944 -9.545 2.416 191 HB3 GLN 27 HB1 GLN 27 10.717 -10.738 1.136 192 HG2 GLN 27 HG2 GLN 27 10.618 -9.017 -0.551 193 HG3 GLN 27 HG1 GLN 27 10.585 -7.748 0.672 194 HE21 GLN 27 HE21 GLN 27 12.625 -8.170 -1.483 195 HE22 GLN 27 HE22 GLN 27 14.107 -8.346 -0.676 196 H ARG 28 HN ARG 28 9.031 -9.928 4.124 197 HA ARG 28 HA ARG 28 8.573 -12.704 4.319 198 HB2 ARG 28 HB2 ARG 28 9.594 -11.361 6.108 199 HB3 ARG 28 HB1 ARG 28 8.061 -10.540 6.367 200 HG2 ARG 28 HG2 ARG 28 6.992 -12.541 7.097 201 HG3 ARG 28 HG1 ARG 28 8.325 -13.546 6.531 202 HD2 ARG 28 HD2 ARG 28 8.682 -11.440 8.668 203 HD3 ARG 28 HD1 ARG 28 8.246 -13.103 9.048 204 HE ARG 28 HE ARG 28 10.838 -12.157 8.166 205 HH11 ARG 28 HH11 ARG 28 12.463 -13.743 8.078 206 HH12 ARG 28 HH12 ARG 28 12.034 -15.420 8.144 207 HH21 ARG 28 HH21 ARG 28 8.630 -14.814 8.379 208 HH22 ARG 28 HH22 ARG 28 9.866 -16.026 8.314 209 H ALA 29 HN ALA 29 6.384 -9.956 4.828 210 HA ALA 29 HA ALA 29 4.092 -11.456 5.448 211 HB1 ALA 29 HB1 ALA 29 2.850 -9.458 5.104 212 HB2 ALA 29 HB2 ALA 29 4.048 -8.819 3.980 213 HB3 ALA 29 HB3 ALA 29 4.428 -8.941 5.697 214 H ARG 30 HN ARG 30 5.217 -10.207 2.298 215 HA ARG 30 HA ARG 30 3.026 -11.241 0.811 216 HB2 ARG 30 HB2 ARG 30 5.845 -10.499 -0.002 217 HB3 ARG 30 HB1 ARG 30 4.599 -10.993 -1.150 218 HG2 ARG 30 HG2 ARG 30 3.180 -9.134 -0.489 219 HG3 ARG 30 HG1 ARG 30 4.307 -8.682 0.791 220 HD2 ARG 30 HD2 ARG 30 5.022 -8.743 -2.152 221 HD3 ARG 30 HD1 ARG 30 4.535 -7.287 -1.286 222 HE ARG 30 HE ARG 30 6.644 -8.434 0.149 223 HH11 ARG 30 HH11 ARG 30 8.760 -7.659 -0.135 224 HH12 ARG 30 HH12 ARG 30 9.177 -6.809 -1.586 225 HH21 ARG 30 HH21 ARG 30 6.007 -7.069 -2.965 226 HH22 ARG 30 HH22 ARG 30 7.618 -6.476 -3.188 227 H CYS 31 HN CYS 31 6.198 -12.491 1.684 228 HA CYS 31 HA CYS 31 6.139 -14.859 0.150 229 HB2 CYS 31 HB2 CYS 31 8.175 -13.930 1.177 230 HB3 CYS 31 HB1 CYS 31 7.542 -14.313 2.776 231 H LEU 32 HN LEU 32 5.204 -14.216 3.532 232 HA LEU 32 HA LEU 32 4.426 -16.861 4.161 233 HB2 LEU 32 HB2 LEU 32 3.579 -14.184 5.280 234 HB3 LEU 32 HB1 LEU 32 3.031 -15.715 5.952 235 HG LEU 32 HG LEU 32 5.959 -15.005 5.605 236 HD11 LEU 32 HD11 LEU 32 4.816 -13.420 7.143 237 HD12 LEU 32 HD12 LEU 32 5.970 -14.450 7.990 238 HD13 LEU 32 HD13 LEU 32 4.244 -14.788 8.098 239 HD21 LEU 32 HD21 LEU 32 4.437 -17.271 6.891 240 HD22 LEU 32 HD22 LEU 32 5.999 -16.800 7.552 241 HD23 LEU 32 HD23 LEU 32 5.880 -17.330 5.881 242 H ARG 33 HN ARG 33 2.673 -14.125 2.775 243 HA ARG 33 HA ARG 33 0.088 -15.238 2.836 244 HB2 ARG 33 HB2 ARG 33 0.559 -12.855 2.364 245 HB3 ARG 33 HB1 ARG 33 1.258 -13.314 0.811 246 HG2 ARG 33 HG2 ARG 33 -0.882 -14.253 0.086 247 HG3 ARG 33 HG1 ARG 33 -1.593 -13.901 1.662 248 HD2 ARG 33 HD2 ARG 33 -2.218 -12.156 0.064 249 HD3 ARG 33 HD1 ARG 33 -1.155 -11.486 1.300 250 HE ARG 33 HE ARG 33 0.476 -11.164 -0.337 251 HH11 ARG 33 HH11 ARG 33 1.182 -11.140 -2.495 252 HH12 ARG 33 HH12 ARG 33 0.291 -12.006 -3.702 253 HH21 ARG 33 HH21 ARG 33 -2.101 -13.172 -1.479 254 HH22 ARG 33 HH22 ARG 33 -1.568 -13.156 -3.127 255 H GLY 34 HN GLY 34 2.653 -15.389 0.387 256 HA2 GLY 34 HA2 GLY 34 1.118 -16.904 -1.495 257 HA3 GLY 34 HA1 GLY 34 2.862 -16.660 -1.530 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 12.424 -12.792 0.508 2 H2 CYS 1 HT2 CYS 1 13.482 -13.884 1.266 3 H3 CYS 1 HT3 CYS 1 13.787 -12.214 1.334 4 HA CYS 1 HA CYS 1 12.128 -11.806 2.851 5 HB2 CYS 1 HB2 CYS 1 10.507 -13.951 3.251 6 HB3 CYS 1 HB1 CYS 1 10.157 -12.693 2.070 7 HA PRO 2 HA PRO 2 15.306 -14.344 5.111 8 HB2 PRO 2 HB2 PRO 2 15.095 -11.900 6.835 9 HB3 PRO 2 HB1 PRO 2 16.544 -12.752 6.262 10 HG2 PRO 2 HG2 PRO 2 15.826 -10.438 5.187 11 HG3 PRO 2 HG1 PRO 2 16.464 -11.747 4.173 12 HD2 PRO 2 HD2 PRO 2 13.614 -10.849 4.515 13 HD3 PRO 2 HD1 PRO 2 14.456 -11.388 3.044 14 H GLN 3 HN GLN 3 15.181 -15.321 7.237 15 HA GLN 3 HA GLN 3 12.591 -16.047 8.041 16 HB2 GLN 3 HB2 GLN 3 15.251 -16.236 9.465 17 HB3 GLN 3 HB1 GLN 3 13.761 -16.935 10.102 18 HG2 GLN 3 HG2 GLN 3 13.516 -18.354 8.162 19 HG3 GLN 3 HG1 GLN 3 14.857 -17.552 7.347 20 HE21 GLN 3 HE21 GLN 3 14.615 -20.447 8.124 21 HE22 GLN 3 HE22 GLN 3 15.953 -20.757 9.121 22 H VAL 4 HN VAL 4 14.809 -13.582 9.258 23 HA VAL 4 HA VAL 4 12.595 -12.453 10.883 24 HB VAL 4 HB VAL 4 14.254 -11.749 12.546 25 HG11 VAL 4 HG11 VAL 4 14.682 -13.926 13.519 26 HG12 VAL 4 HG12 VAL 4 14.533 -14.707 11.945 27 HG13 VAL 4 HG13 VAL 4 13.117 -13.987 12.709 28 HG21 VAL 4 HG21 VAL 4 16.218 -11.511 11.163 29 HG22 VAL 4 HG22 VAL 4 16.169 -13.216 10.710 30 HG23 VAL 4 HG23 VAL 4 16.568 -12.754 12.365 31 H CYS 5 HN CYS 5 12.671 -10.155 11.140 32 HA CYS 5 HA CYS 5 14.088 -8.781 8.932 33 HB2 CYS 5 HB2 CYS 5 11.469 -8.183 10.316 34 HB3 CYS 5 HB1 CYS 5 12.234 -7.069 9.204 35 HA PRO 6 HA PRO 6 16.369 -6.495 11.920 36 HB2 PRO 6 HB2 PRO 6 16.756 -4.095 10.646 37 HB3 PRO 6 HB1 PRO 6 17.592 -5.590 10.179 38 HG2 PRO 6 HG2 PRO 6 15.183 -4.309 8.959 39 HG3 PRO 6 HG1 PRO 6 16.587 -5.052 8.167 40 HD2 PRO 6 HD2 PRO 6 14.219 -6.357 8.432 41 HD3 PRO 6 HD1 PRO 6 15.767 -7.214 8.445 42 H ALA 7 HN ALA 7 16.219 -4.923 13.536 43 HA ALA 7 HA ALA 7 13.528 -3.958 14.073 44 HB1 ALA 7 HB1 ALA 7 16.099 -3.954 15.658 45 HB2 ALA 7 HB2 ALA 7 14.652 -4.919 15.944 46 HB3 ALA 7 HB3 ALA 7 14.622 -3.179 16.230 47 H ILE 8 HN ILE 8 15.679 -2.816 12.065 48 HA ILE 8 HA ILE 8 16.319 -0.203 12.872 49 HB ILE 8 HB ILE 8 15.862 -1.381 10.122 50 HG12 ILE 8 HG12 ILE 8 18.430 -0.580 11.515 51 HG13 ILE 8 HG11 ILE 8 17.765 -2.211 11.603 52 HG21 ILE 8 HG21 ILE 8 15.549 0.975 9.854 53 HG22 ILE 8 HG22 ILE 8 17.224 0.662 9.402 54 HG23 ILE 8 HG23 ILE 8 16.850 1.347 10.983 55 HD11 ILE 8 HD11 ILE 8 18.345 -0.788 8.993 56 HD12 ILE 8 HD12 ILE 8 17.929 -2.487 9.213 57 HD13 ILE 8 HD13 ILE 8 19.486 -1.881 9.779 58 H TYR 9 HN TYR 9 13.467 -1.519 11.255 59 HA TYR 9 HA TYR 9 11.342 -0.694 11.006 60 HB2 TYR 9 HB2 TYR 9 11.782 -0.066 13.471 61 HB3 TYR 9 HB1 TYR 9 12.068 1.565 12.871 62 HD1 TYR 9 HD1 TYR 9 9.559 -1.189 12.950 63 HD2 TYR 9 HD2 TYR 9 10.263 2.995 12.284 64 HE1 TYR 9 HE1 TYR 9 7.113 -0.790 12.869 65 HE2 TYR 9 HE2 TYR 9 7.817 3.394 12.202 66 HH TYR 9 HH TYR 9 5.504 0.714 12.655 67 H GLN 10 HN GLN 10 11.562 -0.125 8.861 68 HA GLN 10 HA GLN 10 12.004 2.770 8.328 69 HB2 GLN 10 HB2 GLN 10 13.919 1.358 7.548 70 HB3 GLN 10 HB1 GLN 10 12.797 0.480 6.511 71 HG2 GLN 10 HG2 GLN 10 13.894 2.212 5.200 72 HG3 GLN 10 HG1 GLN 10 12.198 2.638 5.401 73 HE21 GLN 10 HE21 GLN 10 12.018 4.845 5.780 74 HE22 GLN 10 HE22 GLN 10 13.076 5.758 6.744 75 HA PRO 11 HA PRO 11 7.636 1.375 7.329 76 HB2 PRO 11 HB2 PRO 11 7.625 4.373 7.348 77 HB3 PRO 11 HB1 PRO 11 6.354 3.252 7.874 78 HG2 PRO 11 HG2 PRO 11 7.942 4.396 9.655 79 HG3 PRO 11 HG1 PRO 11 7.475 2.692 9.824 80 HD2 PRO 11 HD2 PRO 11 10.113 3.840 9.032 81 HD3 PRO 11 HD1 PRO 11 9.747 2.288 9.813 82 H VAL 12 HN VAL 12 7.027 0.883 5.415 83 HA VAL 12 HA VAL 12 7.833 2.546 3.089 84 HB VAL 12 HB VAL 12 7.520 -0.442 2.892 85 HG11 VAL 12 HG11 VAL 12 9.174 -0.112 1.080 86 HG12 VAL 12 HG12 VAL 12 9.173 1.618 1.422 87 HG13 VAL 12 HG13 VAL 12 7.708 0.838 0.827 88 HG21 VAL 12 HG21 VAL 12 9.985 -0.611 3.263 89 HG22 VAL 12 HG22 VAL 12 9.090 -0.148 4.707 90 HG23 VAL 12 HG23 VAL 12 9.979 1.069 3.795 91 H PHE 13 HN PHE 13 6.386 2.574 1.343 92 HA PHE 13 HA PHE 13 3.615 1.705 1.956 93 HB2 PHE 13 HB2 PHE 13 4.692 4.175 0.593 94 HB3 PHE 13 HB1 PHE 13 3.025 3.652 0.392 95 HD1 PHE 13 HD1 PHE 13 1.405 3.961 2.110 96 HD2 PHE 13 HD2 PHE 13 5.557 4.723 2.895 97 HE1 PHE 13 HE1 PHE 13 0.798 5.023 4.262 98 HE2 PHE 13 HE2 PHE 13 4.953 5.787 5.053 99 HZ PHE 13 HZ PHE 13 2.572 5.938 5.738 100 H ASP 14 HN ASP 14 2.693 0.347 0.527 101 HA ASP 14 HA ASP 14 4.160 -0.308 -1.935 102 HB2 ASP 14 HB2 ASP 14 1.916 -1.615 -0.417 103 HB3 ASP 14 HB1 ASP 14 2.240 -2.065 -2.088 104 H GLU 15 HN GLU 15 3.125 -0.379 -3.971 105 HA GLU 15 HA GLU 15 1.751 1.945 -4.681 106 HB2 GLU 15 HB2 GLU 15 1.456 0.905 -6.869 107 HB3 GLU 15 HB1 GLU 15 3.074 0.577 -6.253 108 HG2 GLU 15 HG2 GLU 15 2.245 -1.632 -5.407 109 HG3 GLU 15 HG1 GLU 15 0.700 -1.307 -6.190 110 H PHE 16 HN PHE 16 0.498 -0.562 -2.929 111 HA PHE 16 HA PHE 16 -2.216 -0.343 -4.055 112 HB2 PHE 16 HB2 PHE 16 -0.999 -2.234 -2.027 113 HB3 PHE 16 HB1 PHE 16 -2.699 -2.222 -2.483 114 HD1 PHE 16 HD1 PHE 16 -3.397 -2.825 -4.783 115 HD2 PHE 16 HD2 PHE 16 0.701 -3.086 -3.523 116 HE1 PHE 16 HE1 PHE 16 -2.877 -4.224 -6.763 117 HE2 PHE 16 HE2 PHE 16 1.221 -4.484 -5.503 118 HZ PHE 16 HZ PHE 16 -0.567 -5.054 -7.123 119 H GLY 17 HN GLY 17 -0.269 1.204 -1.965 120 HA2 GLY 17 HA2 GLY 17 -0.788 2.899 -0.465 121 HA3 GLY 17 HA1 GLY 17 -2.474 2.413 -0.560 122 H ARG 18 HN ARG 18 -0.597 -0.290 -0.041 123 HA ARG 18 HA ARG 18 -1.536 -0.543 2.679 124 HB2 ARG 18 HB2 ARG 18 0.161 -2.314 0.922 125 HB3 ARG 18 HB1 ARG 18 -0.230 -2.719 2.592 126 HG2 ARG 18 HG2 ARG 18 -2.665 -2.477 2.001 127 HG3 ARG 18 HG1 ARG 18 -2.183 -2.278 0.315 128 HD2 ARG 18 HD2 ARG 18 -1.089 -4.482 0.355 129 HD3 ARG 18 HD1 ARG 18 -1.531 -4.679 2.047 130 HE ARG 18 HE ARG 18 -3.740 -5.113 1.390 131 HH11 ARG 18 HH11 ARG 18 -5.270 -5.663 -0.193 132 HH12 ARG 18 HH12 ARG 18 -4.919 -5.379 -1.865 133 HH21 ARG 18 HH21 ARG 18 -1.778 -4.045 -1.255 134 HH22 ARG 18 HH22 ARG 18 -2.944 -4.463 -2.466 135 H MET 19 HN MET 19 -0.328 -0.575 4.547 136 HA MET 19 HA MET 19 2.243 0.854 4.405 137 HB2 MET 19 HB2 MET 19 0.411 0.307 6.751 138 HB3 MET 19 HB1 MET 19 1.872 1.295 6.791 139 HG2 MET 19 HG2 MET 19 0.900 2.829 5.138 140 HG3 MET 19 HG1 MET 19 -0.551 1.831 5.047 141 HE1 MET 19 HE1 MET 19 -1.676 3.877 5.236 142 HE2 MET 19 HE2 MET 19 -0.752 5.154 6.022 143 HE3 MET 19 HE3 MET 19 -2.246 4.578 6.756 144 H TYR 20 HN TYR 20 4.114 -0.005 5.007 145 HA TYR 20 HA TYR 20 4.166 -2.621 6.403 146 HB2 TYR 20 HB2 TYR 20 5.755 -1.747 3.984 147 HB3 TYR 20 HB1 TYR 20 6.225 -3.108 5.002 148 HD1 TYR 20 HD1 TYR 20 4.822 -5.127 5.142 149 HD2 TYR 20 HD2 TYR 20 3.811 -1.857 2.545 150 HE1 TYR 20 HE1 TYR 20 3.219 -6.582 3.929 151 HE2 TYR 20 HE2 TYR 20 2.211 -3.309 1.336 152 HH TYR 20 HH TYR 20 0.867 -5.782 2.318 153 H SER 21 HN SER 21 5.688 -2.768 8.013 154 HA SER 21 HA SER 21 6.765 -0.382 9.081 155 HB2 SER 21 HB2 SER 21 6.279 -2.321 10.483 156 HB3 SER 21 HB1 SER 21 7.513 -3.256 9.651 157 HG SER 21 HG SER 21 8.188 -0.777 10.768 158 H ASN 22 HN ASN 22 8.296 -3.013 7.200 159 HA ASN 22 HA ASN 22 10.340 -1.132 6.322 160 HB2 ASN 22 HB2 ASN 22 12.216 -2.561 6.999 161 HB3 ASN 22 HB1 ASN 22 11.321 -1.952 8.391 162 HD21 ASN 22 HD21 ASN 22 11.205 -3.591 9.917 163 HD22 ASN 22 HD22 ASN 22 10.894 -5.213 9.574 164 H SER 23 HN SER 23 11.850 -2.223 4.731 165 HA SER 23 HA SER 23 10.348 -3.378 2.662 166 HB2 SER 23 HB2 SER 23 13.321 -3.218 3.120 167 HB3 SER 23 HB1 SER 23 12.611 -3.859 1.642 168 HG SER 23 HG SER 23 13.074 -1.610 1.512 169 H CYS 24 HN CYS 24 12.378 -4.894 5.155 170 HA CYS 24 HA CYS 24 12.477 -7.491 4.078 171 HB2 CYS 24 HB2 CYS 24 13.837 -6.841 5.980 172 HB3 CYS 24 HB1 CYS 24 12.406 -6.581 6.956 173 H GLU 25 HN GLU 25 10.188 -5.978 6.279 174 HA GLU 25 HA GLU 25 8.499 -8.156 6.714 175 HB2 GLU 25 HB2 GLU 25 7.963 -5.192 6.719 176 HB3 GLU 25 HB1 GLU 25 6.727 -6.379 7.136 177 HG2 GLU 25 HG2 GLU 25 9.438 -6.278 8.477 178 HG3 GLU 25 HG1 GLU 25 8.019 -5.448 9.104 179 H MET 26 HN MET 26 8.622 -5.768 4.156 180 HA MET 26 HA MET 26 6.228 -6.284 2.832 181 HB2 MET 26 HB2 MET 26 8.612 -4.812 2.372 182 HB3 MET 26 HB1 MET 26 8.381 -5.782 0.932 183 HG2 MET 26 HG2 MET 26 6.231 -4.042 2.168 184 HG3 MET 26 HG1 MET 26 7.284 -3.521 0.856 185 HE1 MET 26 HE1 MET 26 7.397 -6.388 -1.109 186 HE2 MET 26 HE2 MET 26 7.696 -4.653 -1.133 187 HE3 MET 26 HE3 MET 26 6.438 -5.336 -2.158 188 H GLN 27 HN GLN 27 9.440 -7.656 2.085 189 HA GLN 27 HA GLN 27 8.474 -9.567 0.226 190 HB2 GLN 27 HB2 GLN 27 11.033 -9.404 1.824 191 HB3 GLN 27 HB1 GLN 27 10.728 -10.649 0.612 192 HG2 GLN 27 HG2 GLN 27 10.478 -8.991 -1.128 193 HG3 GLN 27 HG1 GLN 27 10.539 -7.679 0.048 194 HE21 GLN 27 HE21 GLN 27 12.404 -8.200 -2.250 195 HE22 GLN 27 HE22 GLN 27 13.945 -8.340 -1.554 196 H ARG 28 HN ARG 28 9.164 -9.724 3.684 197 HA ARG 28 HA ARG 28 8.859 -12.498 4.059 198 HB2 ARG 28 HB2 ARG 28 9.740 -10.785 5.712 199 HB3 ARG 28 HB1 ARG 28 8.067 -10.350 6.031 200 HG2 ARG 28 HG2 ARG 28 7.568 -12.674 6.672 201 HG3 ARG 28 HG1 ARG 28 9.244 -13.125 6.355 202 HD2 ARG 28 HD2 ARG 28 9.977 -11.462 8.062 203 HD3 ARG 28 HD1 ARG 28 8.286 -11.124 8.422 204 HE ARG 28 HE ARG 28 9.791 -13.476 9.214 205 HH11 ARG 28 HH11 ARG 28 8.679 -14.908 10.586 206 HH12 ARG 28 HH12 ARG 28 6.965 -14.752 10.784 207 HH21 ARG 28 HH21 ARG 28 6.694 -12.044 8.636 208 HH22 ARG 28 HH22 ARG 28 5.840 -13.131 9.680 209 H ALA 29 HN ALA 29 6.527 -9.842 4.126 210 HA ALA 29 HA ALA 29 4.284 -11.269 5.017 211 HB1 ALA 29 HB1 ALA 29 4.313 -8.967 3.053 212 HB2 ALA 29 HB2 ALA 29 4.400 -8.793 4.806 213 HB3 ALA 29 HB3 ALA 29 2.955 -9.474 4.058 214 H ARG 30 HN ARG 30 5.432 -10.689 1.684 215 HA ARG 30 HA ARG 30 3.326 -12.132 0.427 216 HB2 ARG 30 HB2 ARG 30 6.123 -11.426 -0.489 217 HB3 ARG 30 HB1 ARG 30 4.933 -12.220 -1.521 218 HG2 ARG 30 HG2 ARG 30 3.388 -10.339 -1.229 219 HG3 ARG 30 HG1 ARG 30 4.528 -9.551 -0.138 220 HD2 ARG 30 HD2 ARG 30 4.731 -8.592 -2.381 221 HD3 ARG 30 HD1 ARG 30 6.199 -9.471 -1.968 222 HE ARG 30 HE ARG 30 5.695 -11.017 -3.640 223 HH11 ARG 30 HH11 ARG 30 4.480 -11.725 -5.424 224 HH12 ARG 30 HH12 ARG 30 2.907 -11.058 -5.714 225 HH21 ARG 30 HH21 ARG 30 3.003 -8.951 -2.962 226 HH22 ARG 30 HH22 ARG 30 2.073 -9.487 -4.320 227 H CYS 31 HN CYS 31 6.543 -12.987 1.571 228 HA CYS 31 HA CYS 31 6.491 -15.687 0.642 229 HB2 CYS 31 HB2 CYS 31 8.213 -14.093 2.502 230 HB3 CYS 31 HB1 CYS 31 8.397 -15.840 2.447 231 H LEU 32 HN LEU 32 5.394 -14.047 3.525 232 HA LEU 32 HA LEU 32 5.178 -16.272 5.237 233 HB2 LEU 32 HB2 LEU 32 5.005 -13.970 6.060 234 HB3 LEU 32 HB1 LEU 32 3.511 -13.740 5.161 235 HG LEU 32 HG LEU 32 2.433 -15.528 6.493 236 HD11 LEU 32 HD11 LEU 32 4.118 -17.019 7.154 237 HD12 LEU 32 HD12 LEU 32 3.809 -16.144 8.651 238 HD13 LEU 32 HD13 LEU 32 5.207 -15.726 7.659 239 HD21 LEU 32 HD21 LEU 32 2.551 -14.297 8.727 240 HD22 LEU 32 HD22 LEU 32 2.139 -13.306 7.327 241 HD23 LEU 32 HD23 LEU 32 3.774 -13.263 7.986 242 H ARG 33 HN ARG 33 2.969 -14.931 2.812 243 HA ARG 33 HA ARG 33 0.749 -16.569 3.414 244 HB2 ARG 33 HB2 ARG 33 1.603 -15.170 0.875 245 HB3 ARG 33 HB1 ARG 33 0.086 -16.059 1.018 246 HG2 ARG 33 HG2 ARG 33 -0.558 -14.636 2.937 247 HG3 ARG 33 HG1 ARG 33 0.948 -13.734 2.764 248 HD2 ARG 33 HD2 ARG 33 -1.106 -14.007 0.557 249 HD3 ARG 33 HD1 ARG 33 -1.043 -12.641 1.667 250 HE ARG 33 HE ARG 33 1.508 -12.902 0.572 251 HH11 ARG 33 HH11 ARG 33 2.125 -11.636 -1.210 252 HH12 ARG 33 HH12 ARG 33 0.913 -10.964 -2.249 253 HH21 ARG 33 HH21 ARG 33 -1.738 -12.316 -0.472 254 HH22 ARG 33 HH22 ARG 33 -1.274 -11.351 -1.832 255 H GLY 34 HN GLY 34 3.560 -17.040 1.321 256 HA2 GLY 34 HA2 GLY 34 2.673 -19.415 0.057 257 HA3 GLY 34 HA1 GLY 34 4.348 -18.895 0.208 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 14.033 -12.840 1.594 2 H2 CYS 1 HT2 CYS 1 12.659 -12.720 0.599 3 H3 CYS 1 HT3 CYS 1 13.155 -14.235 1.192 4 HA CYS 1 HA CYS 1 12.135 -11.970 2.816 5 HB2 CYS 1 HB2 CYS 1 10.441 -14.088 3.236 6 HB3 CYS 1 HB1 CYS 1 10.153 -12.820 2.049 7 HA PRO 2 HA PRO 2 15.103 -14.496 5.357 8 HB2 PRO 2 HB2 PRO 2 15.051 -11.911 6.865 9 HB3 PRO 2 HB1 PRO 2 16.442 -12.895 6.368 10 HG2 PRO 2 HG2 PRO 2 15.870 -10.629 5.115 11 HG3 PRO 2 HG1 PRO 2 16.428 -12.049 4.209 12 HD2 PRO 2 HD2 PRO 2 13.631 -10.966 4.475 13 HD3 PRO 2 HD1 PRO 2 14.447 -11.640 3.043 14 H GLN 3 HN GLN 3 14.824 -15.387 7.453 15 HA GLN 3 HA GLN 3 12.178 -15.753 8.324 16 HB2 GLN 3 HB2 GLN 3 14.045 -17.327 8.777 17 HB3 GLN 3 HB1 GLN 3 14.717 -16.164 9.920 18 HG2 GLN 3 HG2 GLN 3 12.697 -16.281 11.286 19 HG3 GLN 3 HG1 GLN 3 11.939 -17.360 10.115 20 HE21 GLN 3 HE21 GLN 3 11.998 -18.532 12.503 21 HE22 GLN 3 HE22 GLN 3 13.284 -19.628 12.670 22 H VAL 4 HN VAL 4 14.725 -13.577 9.464 23 HA VAL 4 HA VAL 4 12.738 -12.217 11.211 24 HB VAL 4 HB VAL 4 14.643 -11.519 12.603 25 HG11 VAL 4 HG11 VAL 4 15.270 -13.840 13.428 26 HG12 VAL 4 HG12 VAL 4 14.359 -14.484 12.063 27 HG13 VAL 4 HG13 VAL 4 13.538 -13.534 13.301 28 HG21 VAL 4 HG21 VAL 4 16.197 -13.142 10.573 29 HG22 VAL 4 HG22 VAL 4 16.845 -12.738 12.162 30 HG23 VAL 4 HG23 VAL 4 16.441 -11.454 11.023 31 H CYS 5 HN CYS 5 13.041 -9.881 11.415 32 HA CYS 5 HA CYS 5 14.303 -8.672 9.029 33 HB2 CYS 5 HB2 CYS 5 11.677 -8.009 10.354 34 HB3 CYS 5 HB1 CYS 5 12.444 -6.977 9.162 35 HA PRO 6 HA PRO 6 16.674 -5.984 11.636 36 HB2 PRO 6 HB2 PRO 6 15.500 -3.664 10.142 37 HB3 PRO 6 HB1 PRO 6 17.201 -4.055 10.466 38 HG2 PRO 6 HG2 PRO 6 16.093 -4.448 8.072 39 HG3 PRO 6 HG1 PRO 6 17.332 -5.538 8.717 40 HD2 PRO 6 HD2 PRO 6 14.399 -6.000 8.409 41 HD3 PRO 6 HD1 PRO 6 15.741 -7.163 8.404 42 H ALA 7 HN ALA 7 16.496 -4.313 13.242 43 HA ALA 7 HA ALA 7 13.757 -4.011 14.332 44 HB1 ALA 7 HB1 ALA 7 15.011 -3.442 16.460 45 HB2 ALA 7 HB2 ALA 7 16.488 -3.935 15.631 46 HB3 ALA 7 HB3 ALA 7 15.197 -5.105 15.902 47 H ILE 8 HN ILE 8 15.953 -2.400 12.511 48 HA ILE 8 HA ILE 8 16.131 0.159 13.666 49 HB ILE 8 HB ILE 8 16.214 -0.740 10.778 50 HG12 ILE 8 HG12 ILE 8 18.443 0.158 12.626 51 HG13 ILE 8 HG11 ILE 8 17.979 -1.534 12.435 52 HG21 ILE 8 HG21 ILE 8 17.402 1.509 10.484 53 HG22 ILE 8 HG22 ILE 8 16.728 1.959 12.051 54 HG23 ILE 8 HG23 ILE 8 15.653 1.584 10.703 55 HD11 ILE 8 HD11 ILE 8 18.899 0.315 10.213 56 HD12 ILE 8 HD12 ILE 8 18.395 -1.362 9.998 57 HD13 ILE 8 HD13 ILE 8 19.845 -0.990 10.931 58 H TYR 9 HN TYR 9 13.760 -1.225 11.413 59 HA TYR 9 HA TYR 9 11.525 -0.673 11.134 60 HB2 TYR 9 HB2 TYR 9 11.896 0.335 13.583 61 HB3 TYR 9 HB1 TYR 9 11.773 1.866 12.725 62 HD1 TYR 9 HD1 TYR 9 9.658 2.735 12.135 63 HD2 TYR 9 HD2 TYR 9 10.028 -1.408 13.209 64 HE1 TYR 9 HE1 TYR 9 7.188 2.509 12.119 65 HE2 TYR 9 HE2 TYR 9 7.559 -1.634 13.188 66 HH TYR 9 HH TYR 9 5.495 0.886 11.965 67 H GLN 10 HN GLN 10 11.612 -0.213 8.981 68 HA GLN 10 HA GLN 10 12.169 2.613 8.214 69 HB2 GLN 10 HB2 GLN 10 12.890 0.116 6.661 70 HB3 GLN 10 HB1 GLN 10 13.132 1.776 6.115 71 HG2 GLN 10 HG2 GLN 10 14.675 2.212 7.929 72 HG3 GLN 10 HG1 GLN 10 14.331 0.645 8.657 73 HE21 GLN 10 HE21 GLN 10 16.962 1.676 7.638 74 HE22 GLN 10 HE22 GLN 10 17.458 0.558 6.462 75 HA PRO 11 HA PRO 11 7.737 1.245 7.312 76 HB2 PRO 11 HB2 PRO 11 7.778 4.243 7.345 77 HB3 PRO 11 HB1 PRO 11 6.491 3.141 7.873 78 HG2 PRO 11 HG2 PRO 11 8.117 4.255 9.645 79 HG3 PRO 11 HG1 PRO 11 7.602 2.566 9.818 80 HD2 PRO 11 HD2 PRO 11 10.275 3.633 9.038 81 HD3 PRO 11 HD1 PRO 11 9.853 2.081 9.790 82 H VAL 12 HN VAL 12 7.026 0.845 5.396 83 HA VAL 12 HA VAL 12 7.872 2.507 3.086 84 HB VAL 12 HB VAL 12 7.515 -0.474 2.857 85 HG11 VAL 12 HG11 VAL 12 7.684 0.814 0.799 86 HG12 VAL 12 HG12 VAL 12 9.153 -0.140 1.025 87 HG13 VAL 12 HG13 VAL 12 9.161 1.588 1.378 88 HG21 VAL 12 HG21 VAL 12 10.003 1.003 3.748 89 HG22 VAL 12 HG22 VAL 12 9.987 -0.671 3.192 90 HG23 VAL 12 HG23 VAL 12 9.110 -0.215 4.650 91 H PHE 13 HN PHE 13 6.424 2.553 1.331 92 HA PHE 13 HA PHE 13 3.635 1.760 1.965 93 HB2 PHE 13 HB2 PHE 13 4.776 4.171 0.553 94 HB3 PHE 13 HB1 PHE 13 3.097 3.687 0.350 95 HD1 PHE 13 HD1 PHE 13 5.639 4.742 2.852 96 HD2 PHE 13 HD2 PHE 13 1.473 4.072 2.050 97 HE1 PHE 13 HE1 PHE 13 5.047 5.870 4.981 98 HE2 PHE 13 HE2 PHE 13 0.879 5.196 4.175 99 HZ PHE 13 HZ PHE 13 2.666 6.097 5.643 100 H ASP 14 HN ASP 14 2.534 0.578 0.473 101 HA ASP 14 HA ASP 14 4.008 -0.218 -1.968 102 HB2 ASP 14 HB2 ASP 14 1.819 -1.508 -0.354 103 HB3 ASP 14 HB1 ASP 14 2.102 -1.995 -2.023 104 H GLU 15 HN GLU 15 2.891 -0.377 -3.963 105 HA GLU 15 HA GLU 15 1.494 1.932 -4.696 106 HB2 GLU 15 HB2 GLU 15 1.147 0.836 -6.847 107 HB3 GLU 15 HB1 GLU 15 2.782 0.524 -6.265 108 HG2 GLU 15 HG2 GLU 15 1.974 -1.663 -5.341 109 HG3 GLU 15 HG1 GLU 15 0.411 -1.358 -6.094 110 H PHE 16 HN PHE 16 0.320 -0.583 -2.880 111 HA PHE 16 HA PHE 16 -2.435 -0.386 -3.900 112 HB2 PHE 16 HB2 PHE 16 -1.140 -2.233 -1.877 113 HB3 PHE 16 HB1 PHE 16 -2.848 -2.252 -2.299 114 HD1 PHE 16 HD1 PHE 16 0.541 -3.084 -3.396 115 HD2 PHE 16 HD2 PHE 16 -3.586 -2.904 -4.570 116 HE1 PHE 16 HE1 PHE 16 1.039 -4.510 -5.363 117 HE2 PHE 16 HE2 PHE 16 -3.089 -4.330 -6.537 118 HZ PHE 16 HZ PHE 16 -0.776 -5.133 -6.933 119 H GLY 17 HN GLY 17 -0.419 1.206 -1.915 120 HA2 GLY 17 HA2 GLY 17 -0.858 2.889 -0.385 121 HA3 GLY 17 HA1 GLY 17 -2.558 2.450 -0.461 122 H ARG 18 HN ARG 18 -0.572 -0.222 0.036 123 HA ARG 18 HA ARG 18 -1.526 -0.514 2.773 124 HB2 ARG 18 HB2 ARG 18 0.054 -2.315 0.935 125 HB3 ARG 18 HB1 ARG 18 -0.346 -2.744 2.598 126 HG2 ARG 18 HG2 ARG 18 -2.740 -2.489 2.099 127 HG3 ARG 18 HG1 ARG 18 -2.354 -2.023 0.442 128 HD2 ARG 18 HD2 ARG 18 -1.289 -4.218 0.073 129 HD3 ARG 18 HD1 ARG 18 -1.673 -4.684 1.727 130 HE ARG 18 HE ARG 18 -4.059 -3.905 0.454 131 HH11 ARG 18 HH11 ARG 18 -5.460 -5.507 -0.338 132 HH12 ARG 18 HH12 ARG 18 -4.856 -7.098 -0.657 133 HH21 ARG 18 HH21 ARG 18 -1.614 -6.349 0.318 134 HH22 ARG 18 HH22 ARG 18 -2.677 -7.575 -0.286 135 H MET 19 HN MET 19 -0.339 -0.348 4.584 136 HA MET 19 HA MET 19 2.309 0.869 4.363 137 HB2 MET 19 HB2 MET 19 0.423 0.457 6.688 138 HB3 MET 19 HB1 MET 19 2.011 1.211 6.830 139 HG2 MET 19 HG2 MET 19 1.379 2.983 5.315 140 HG3 MET 19 HG1 MET 19 -0.142 2.181 4.935 141 HE1 MET 19 HE1 MET 19 1.109 4.386 8.721 142 HE2 MET 19 HE2 MET 19 2.093 3.850 7.362 143 HE3 MET 19 HE3 MET 19 1.610 2.694 8.601 144 H TYR 20 HN TYR 20 4.167 -0.013 4.998 145 HA TYR 20 HA TYR 20 4.169 -2.648 6.354 146 HB2 TYR 20 HB2 TYR 20 5.750 -1.796 3.924 147 HB3 TYR 20 HB1 TYR 20 6.218 -3.157 4.938 148 HD1 TYR 20 HD1 TYR 20 4.866 -5.188 5.038 149 HD2 TYR 20 HD2 TYR 20 3.730 -1.866 2.563 150 HE1 TYR 20 HE1 TYR 20 3.238 -6.632 3.842 151 HE2 TYR 20 HE2 TYR 20 2.108 -3.305 1.370 152 HH TYR 20 HH TYR 20 1.901 -5.873 0.933 153 H SER 21 HN SER 21 5.763 -2.887 7.896 154 HA SER 21 HA SER 21 6.891 -0.535 9.007 155 HB2 SER 21 HB2 SER 21 6.396 -2.488 10.382 156 HB3 SER 21 HB1 SER 21 7.580 -3.439 9.495 157 HG SER 21 HG SER 21 8.570 -2.665 11.325 158 H ASN 22 HN ASN 22 8.328 -3.155 7.040 159 HA ASN 22 HA ASN 22 10.387 -1.317 6.125 160 HB2 ASN 22 HB2 ASN 22 12.254 -2.776 6.808 161 HB3 ASN 22 HB1 ASN 22 11.398 -2.094 8.189 162 HD21 ASN 22 HD21 ASN 22 11.386 -3.715 9.760 163 HD22 ASN 22 HD22 ASN 22 10.947 -5.319 9.479 164 H SER 23 HN SER 23 11.839 -2.417 4.496 165 HA SER 23 HA SER 23 10.279 -3.712 2.525 166 HB2 SER 23 HB2 SER 23 13.263 -3.374 2.827 167 HB3 SER 23 HB1 SER 23 12.518 -4.115 1.414 168 HG SER 23 HG SER 23 12.151 -2.164 0.752 169 H CYS 24 HN CYS 24 12.403 -4.992 5.044 170 HA CYS 24 HA CYS 24 12.647 -7.626 4.083 171 HB2 CYS 24 HB2 CYS 24 13.922 -6.807 5.996 172 HB3 CYS 24 HB1 CYS 24 12.446 -6.596 6.915 173 H GLU 25 HN GLU 25 10.261 -6.062 6.121 174 HA GLU 25 HA GLU 25 8.573 -8.266 6.546 175 HB2 GLU 25 HB2 GLU 25 8.095 -5.298 6.646 176 HB3 GLU 25 HB1 GLU 25 6.812 -6.461 6.976 177 HG2 GLU 25 HG2 GLU 25 9.480 -6.515 8.402 178 HG3 GLU 25 HG1 GLU 25 8.078 -5.645 9.015 179 H MET 26 HN MET 26 8.716 -5.827 3.999 180 HA MET 26 HA MET 26 6.282 -6.382 2.719 181 HB2 MET 26 HB2 MET 26 8.917 -5.372 1.646 182 HB3 MET 26 HB1 MET 26 7.474 -5.474 0.668 183 HG2 MET 26 HG2 MET 26 6.285 -3.967 2.149 184 HG3 MET 26 HG1 MET 26 7.639 -3.964 3.278 185 HE1 MET 26 HE1 MET 26 8.042 -3.578 -0.893 186 HE2 MET 26 HE2 MET 26 7.153 -2.063 -0.783 187 HE3 MET 26 HE3 MET 26 6.440 -3.542 -0.145 188 H GLN 27 HN GLN 27 9.523 -7.768 2.171 189 HA GLN 27 HA GLN 27 8.646 -9.575 0.131 190 HB2 GLN 27 HB2 GLN 27 11.129 -9.500 1.855 191 HB3 GLN 27 HB1 GLN 27 10.869 -10.677 0.567 192 HG2 GLN 27 HG2 GLN 27 10.603 -8.838 -1.059 193 HG3 GLN 27 HG1 GLN 27 10.878 -7.665 0.228 194 HE21 GLN 27 HE21 GLN 27 12.922 -6.827 -0.362 195 HE22 GLN 27 HE22 GLN 27 14.312 -7.783 -0.553 196 H ARG 28 HN ARG 28 9.169 -9.791 3.602 197 HA ARG 28 HA ARG 28 8.817 -12.571 3.937 198 HB2 ARG 28 HB2 ARG 28 9.696 -10.872 5.612 199 HB3 ARG 28 HB1 ARG 28 8.021 -10.436 5.915 200 HG2 ARG 28 HG2 ARG 28 7.502 -12.749 6.544 201 HG3 ARG 28 HG1 ARG 28 9.168 -13.224 6.212 202 HD2 ARG 28 HD2 ARG 28 9.937 -11.594 7.933 203 HD3 ARG 28 HD1 ARG 28 8.255 -11.233 8.307 204 HE ARG 28 HE ARG 28 9.724 -13.622 9.058 205 HH11 ARG 28 HH11 ARG 28 8.597 -15.049 10.422 206 HH12 ARG 28 HH12 ARG 28 6.891 -14.860 10.644 207 HH21 ARG 28 HH21 ARG 28 6.654 -12.112 8.542 208 HH22 ARG 28 HH22 ARG 28 5.790 -13.196 9.580 209 H ALA 29 HN ALA 29 6.542 -9.876 3.913 210 HA ALA 29 HA ALA 29 4.257 -11.205 4.820 211 HB1 ALA 29 HB1 ALA 29 4.404 -8.760 4.520 212 HB2 ALA 29 HB2 ALA 29 2.983 -9.432 3.719 213 HB3 ALA 29 HB3 ALA 29 4.401 -8.984 2.770 214 H ARG 30 HN ARG 30 5.376 -10.778 1.439 215 HA ARG 30 HA ARG 30 3.228 -12.273 0.313 216 HB2 ARG 30 HB2 ARG 30 5.976 -11.571 -0.738 217 HB3 ARG 30 HB1 ARG 30 4.767 -12.432 -1.690 218 HG2 ARG 30 HG2 ARG 30 3.179 -10.558 -1.336 219 HG3 ARG 30 HG1 ARG 30 4.425 -9.689 -0.442 220 HD2 ARG 30 HD2 ARG 30 5.877 -9.721 -2.440 221 HD3 ARG 30 HD1 ARG 30 4.625 -10.579 -3.333 222 HE ARG 30 HE ARG 30 4.648 -7.755 -2.662 223 HH11 ARG 30 HH11 ARG 30 2.936 -6.544 -3.538 224 HH12 ARG 30 HH12 ARG 30 1.564 -7.358 -4.213 225 HH21 ARG 30 HH21 ARG 30 2.788 -10.534 -3.551 226 HH22 ARG 30 HH22 ARG 30 1.480 -9.617 -4.220 227 H CYS 31 HN CYS 31 6.499 -13.089 1.342 228 HA CYS 31 HA CYS 31 6.477 -15.792 0.490 229 HB2 CYS 31 HB2 CYS 31 8.110 -14.184 2.417 230 HB3 CYS 31 HB1 CYS 31 8.320 -15.928 2.353 231 H LEU 32 HN LEU 32 5.496 -14.198 3.481 232 HA LEU 32 HA LEU 32 5.115 -16.510 5.040 233 HB2 LEU 32 HB2 LEU 32 5.193 -14.264 6.020 234 HB3 LEU 32 HB1 LEU 32 3.698 -13.834 5.196 235 HG LEU 32 HG LEU 32 2.499 -15.603 6.446 236 HD11 LEU 32 HD11 LEU 32 5.277 -16.140 7.488 237 HD12 LEU 32 HD12 LEU 32 4.052 -17.287 6.945 238 HD13 LEU 32 HD13 LEU 32 3.880 -16.492 8.505 239 HD21 LEU 32 HD21 LEU 32 2.757 -14.541 8.732 240 HD22 LEU 32 HD22 LEU 32 2.484 -13.399 7.417 241 HD23 LEU 32 HD23 LEU 32 4.106 -13.616 8.073 242 H ARG 33 HN ARG 33 2.991 -14.803 2.780 243 HA ARG 33 HA ARG 33 0.609 -16.190 3.340 244 HB2 ARG 33 HB2 ARG 33 0.741 -14.140 1.946 245 HB3 ARG 33 HB1 ARG 33 1.534 -15.077 0.680 246 HG2 ARG 33 HG2 ARG 33 -0.430 -16.533 0.487 247 HG3 ARG 33 HG1 ARG 33 -1.221 -15.664 1.802 248 HD2 ARG 33 HD2 ARG 33 -2.062 -14.824 -0.324 249 HD3 ARG 33 HD1 ARG 33 -1.092 -13.574 0.450 250 HE ARG 33 HE ARG 33 0.474 -13.785 -1.266 251 HH11 ARG 33 HH11 ARG 33 1.151 -14.585 -3.282 252 HH12 ARG 33 HH12 ARG 33 0.376 -15.979 -3.959 253 HH21 ARG 33 HH21 ARG 33 -1.815 -16.381 -1.302 254 HH22 ARG 33 HH22 ARG 33 -1.303 -16.994 -2.838 255 H GLY 34 HN GLY 34 3.240 -16.889 1.060 256 HA2 GLY 34 HA2 GLY 34 2.728 -19.717 1.198 257 HA3 GLY 34 HA1 GLY 34 2.254 -19.019 -0.348 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 13.707 -15.331 0.971 2 H2 CYS 1 HT2 CYS 1 12.241 -15.276 0.116 3 H3 CYS 1 HT3 CYS 1 12.499 -16.478 1.289 4 HA CYS 1 HA CYS 1 11.977 -13.604 1.653 5 HB2 CYS 1 HB2 CYS 1 10.838 -15.705 3.440 6 HB3 CYS 1 HB1 CYS 1 10.043 -14.326 2.682 7 HA PRO 2 HA PRO 2 15.164 -13.700 4.802 8 HB2 PRO 2 HB2 PRO 2 14.522 -11.476 6.239 9 HB3 PRO 2 HB1 PRO 2 15.199 -11.385 4.599 10 HG2 PRO 2 HG2 PRO 2 12.347 -11.162 5.474 11 HG3 PRO 2 HG1 PRO 2 13.245 -10.170 4.308 12 HD2 PRO 2 HD2 PRO 2 11.570 -12.183 3.527 13 HD3 PRO 2 HD1 PRO 2 13.017 -11.731 2.598 14 H GLN 3 HN GLN 3 15.464 -14.481 6.882 15 HA GLN 3 HA GLN 3 13.080 -15.492 8.251 16 HB2 GLN 3 HB2 GLN 3 16.040 -15.963 8.652 17 HB3 GLN 3 HB1 GLN 3 14.790 -16.666 9.677 18 HG2 GLN 3 HG2 GLN 3 13.814 -17.838 7.805 19 HG3 GLN 3 HG1 GLN 3 14.870 -17.002 6.669 20 HE21 GLN 3 HE21 GLN 3 14.679 -19.953 7.181 21 HE22 GLN 3 HE22 GLN 3 16.240 -20.432 7.644 22 H VAL 4 HN VAL 4 15.123 -12.808 8.386 23 HA VAL 4 HA VAL 4 14.075 -12.066 11.044 24 HB VAL 4 HB VAL 4 16.277 -11.161 11.683 25 HG11 VAL 4 HG11 VAL 4 16.428 -14.083 10.881 26 HG12 VAL 4 HG12 VAL 4 15.601 -13.481 12.318 27 HG13 VAL 4 HG13 VAL 4 17.348 -13.298 12.165 28 HG21 VAL 4 HG21 VAL 4 18.263 -11.892 10.324 29 HG22 VAL 4 HG22 VAL 4 17.221 -10.746 9.482 30 HG23 VAL 4 HG23 VAL 4 17.146 -12.463 9.083 31 H CYS 5 HN CYS 5 14.168 -9.742 11.433 32 HA CYS 5 HA CYS 5 14.370 -8.108 8.970 33 HB2 CYS 5 HB2 CYS 5 12.173 -7.964 11.049 34 HB3 CYS 5 HB1 CYS 5 12.331 -6.900 9.670 35 HA PRO 6 HA PRO 6 16.799 -5.469 11.571 36 HB2 PRO 6 HB2 PRO 6 16.399 -3.022 10.386 37 HB3 PRO 6 HB1 PRO 6 17.410 -4.294 9.671 38 HG2 PRO 6 HG2 PRO 6 14.575 -3.566 9.059 39 HG3 PRO 6 HG1 PRO 6 15.903 -3.947 7.946 40 HD2 PRO 6 HD2 PRO 6 14.010 -5.780 8.578 41 HD3 PRO 6 HD1 PRO 6 15.694 -6.249 8.268 42 H ALA 7 HN ALA 7 16.620 -4.149 13.361 43 HA ALA 7 HA ALA 7 13.908 -3.597 14.314 44 HB1 ALA 7 HB1 ALA 7 15.174 -2.963 16.429 45 HB2 ALA 7 HB2 ALA 7 16.634 -3.529 15.617 46 HB3 ALA 7 HB3 ALA 7 15.308 -4.650 15.931 47 H ILE 8 HN ILE 8 16.067 -2.030 12.434 48 HA ILE 8 HA ILE 8 16.289 0.549 13.529 49 HB ILE 8 HB ILE 8 16.241 -0.393 10.653 50 HG12 ILE 8 HG12 ILE 8 18.551 0.529 12.384 51 HG13 ILE 8 HG11 ILE 8 18.082 -1.165 12.233 52 HG21 ILE 8 HG21 ILE 8 15.673 1.928 10.572 53 HG22 ILE 8 HG22 ILE 8 17.409 1.852 10.271 54 HG23 ILE 8 HG23 ILE 8 16.810 2.323 11.861 55 HD11 ILE 8 HD11 ILE 8 19.924 -0.385 10.649 56 HD12 ILE 8 HD12 ILE 8 18.688 0.574 9.833 57 HD13 ILE 8 HD13 ILE 8 18.548 -1.184 9.889 58 H TYR 9 HN TYR 9 13.827 -0.902 11.440 59 HA TYR 9 HA TYR 9 11.584 -0.389 11.239 60 HB2 TYR 9 HB2 TYR 9 11.974 0.624 13.650 61 HB3 TYR 9 HB1 TYR 9 11.897 2.166 12.803 62 HD1 TYR 9 HD1 TYR 9 10.045 -1.041 13.305 63 HD2 TYR 9 HD2 TYR 9 9.816 3.099 12.182 64 HE1 TYR 9 HE1 TYR 9 7.570 -1.185 13.277 65 HE2 TYR 9 HE2 TYR 9 7.340 2.955 12.155 66 HH TYR 9 HH TYR 9 5.619 0.639 13.597 67 H GLN 10 HN GLN 10 11.677 0.001 9.067 68 HA GLN 10 HA GLN 10 11.992 2.835 8.231 69 HB2 GLN 10 HB2 GLN 10 13.949 1.393 7.577 70 HB3 GLN 10 HB1 GLN 10 12.836 0.424 6.612 71 HG2 GLN 10 HG2 GLN 10 12.252 2.338 5.249 72 HG3 GLN 10 HG1 GLN 10 13.178 3.416 6.290 73 HE21 GLN 10 HE21 GLN 10 13.590 2.840 3.366 74 HE22 GLN 10 HE22 GLN 10 15.185 2.273 3.243 75 HA PRO 11 HA PRO 11 7.697 1.153 7.381 76 HB2 PRO 11 HB2 PRO 11 7.479 4.149 7.298 77 HB3 PRO 11 HB1 PRO 11 6.314 2.959 7.919 78 HG2 PRO 11 HG2 PRO 11 7.860 4.302 9.588 79 HG3 PRO 11 HG1 PRO 11 7.535 2.577 9.851 80 HD2 PRO 11 HD2 PRO 11 10.043 3.887 8.881 81 HD3 PRO 11 HD1 PRO 11 9.834 2.380 9.795 82 H VAL 12 HN VAL 12 7.079 0.612 5.472 83 HA VAL 12 HA VAL 12 7.854 2.258 3.123 84 HB VAL 12 HB VAL 12 7.589 -0.741 3.081 85 HG11 VAL 12 HG11 VAL 12 9.024 -0.465 1.086 86 HG12 VAL 12 HG12 VAL 12 8.989 1.281 1.328 87 HG13 VAL 12 HG13 VAL 12 7.503 0.414 0.940 88 HG21 VAL 12 HG21 VAL 12 9.324 -0.409 4.673 89 HG22 VAL 12 HG22 VAL 12 9.982 0.966 3.787 90 HG23 VAL 12 HG23 VAL 12 10.156 -0.667 3.141 91 H PHE 13 HN PHE 13 6.439 2.204 1.356 92 HA PHE 13 HA PHE 13 3.656 1.383 1.973 93 HB2 PHE 13 HB2 PHE 13 4.747 3.746 0.439 94 HB3 PHE 13 HB1 PHE 13 3.067 3.232 0.337 95 HD1 PHE 13 HD1 PHE 13 5.686 4.560 2.588 96 HD2 PHE 13 HD2 PHE 13 1.527 3.572 2.163 97 HE1 PHE 13 HE1 PHE 13 5.179 5.792 4.680 98 HE2 PHE 13 HE2 PHE 13 1.020 4.802 4.250 99 HZ PHE 13 HZ PHE 13 2.845 5.913 5.511 100 H ASP 14 HN ASP 14 2.643 0.091 0.530 101 HA ASP 14 HA ASP 14 4.191 -0.882 -1.760 102 HB2 ASP 14 HB2 ASP 14 2.925 -2.380 -0.097 103 HB3 ASP 14 HB1 ASP 14 1.462 -1.836 -0.913 104 H GLU 15 HN GLU 15 3.074 -1.208 -3.834 105 HA GLU 15 HA GLU 15 2.128 1.164 -4.951 106 HB2 GLU 15 HB2 GLU 15 3.089 -0.719 -6.239 107 HB3 GLU 15 HB1 GLU 15 1.640 -1.668 -5.913 108 HG2 GLU 15 HG2 GLU 15 1.483 -0.658 -8.129 109 HG3 GLU 15 HG1 GLU 15 0.274 0.059 -7.074 110 H PHE 16 HN PHE 16 0.423 -1.291 -3.199 111 HA PHE 16 HA PHE 16 -2.205 -0.443 -4.105 112 HB2 PHE 16 HB2 PHE 16 -1.271 -2.489 -2.075 113 HB3 PHE 16 HB1 PHE 16 -2.965 -2.159 -2.432 114 HD1 PHE 16 HD1 PHE 16 -3.945 -2.754 -4.596 115 HD2 PHE 16 HD2 PHE 16 0.179 -3.575 -3.714 116 HE1 PHE 16 HE1 PHE 16 -3.822 -4.258 -6.565 117 HE2 PHE 16 HE2 PHE 16 0.301 -5.078 -5.682 118 HZ PHE 16 HZ PHE 16 -1.699 -5.420 -7.108 119 H GLY 17 HN GLY 17 0.097 0.704 -2.112 120 HA2 GLY 17 HA2 GLY 17 0.012 2.500 -0.651 121 HA3 GLY 17 HA1 GLY 17 -1.739 2.410 -0.719 122 H ARG 18 HN ARG 18 -0.128 -0.535 -0.057 123 HA ARG 18 HA ARG 18 -1.324 -0.680 2.564 124 HB2 ARG 18 HB2 ARG 18 0.533 -2.541 1.077 125 HB3 ARG 18 HB1 ARG 18 -0.118 -2.889 2.675 126 HG2 ARG 18 HG2 ARG 18 -2.404 -2.725 1.802 127 HG3 ARG 18 HG1 ARG 18 -1.780 -2.317 0.205 128 HD2 ARG 18 HD2 ARG 18 -0.627 -4.495 0.096 129 HD3 ARG 18 HD1 ARG 18 -1.246 -4.904 1.693 130 HE ARG 18 HE ARG 18 -3.431 -4.247 0.046 131 HH11 ARG 18 HH11 ARG 18 -4.660 -5.918 -0.879 132 HH12 ARG 18 HH12 ARG 18 -3.976 -7.501 -1.038 133 HH21 ARG 18 HH21 ARG 18 -0.934 -6.620 0.374 134 HH22 ARG 18 HH22 ARG 18 -1.867 -7.899 -0.330 135 H MET 19 HN MET 19 -0.306 -0.661 4.550 136 HA MET 19 HA MET 19 2.288 0.719 4.607 137 HB2 MET 19 HB2 MET 19 0.129 0.270 6.666 138 HB3 MET 19 HB1 MET 19 1.694 0.984 7.061 139 HG2 MET 19 HG2 MET 19 1.321 2.746 5.382 140 HG3 MET 19 HG1 MET 19 -0.242 2.041 4.979 141 HE1 MET 19 HE1 MET 19 -2.589 2.862 7.718 142 HE2 MET 19 HE2 MET 19 -1.831 1.308 7.385 143 HE3 MET 19 HE3 MET 19 -2.288 2.361 6.049 144 H TYR 20 HN TYR 20 4.097 -0.257 5.070 145 HA TYR 20 HA TYR 20 4.093 -2.777 6.637 146 HB2 TYR 20 HB2 TYR 20 5.637 -2.103 4.128 147 HB3 TYR 20 HB1 TYR 20 6.123 -3.389 5.228 148 HD1 TYR 20 HD1 TYR 20 4.441 -5.234 5.765 149 HD2 TYR 20 HD2 TYR 20 3.920 -2.454 2.532 150 HE1 TYR 20 HE1 TYR 20 2.809 -6.772 4.707 151 HE2 TYR 20 HE2 TYR 20 2.292 -3.997 1.471 152 HH TYR 20 HH TYR 20 1.792 -7.238 2.649 153 H SER 21 HN SER 21 5.671 -2.908 8.195 154 HA SER 21 HA SER 21 6.858 -0.502 9.101 155 HB2 SER 21 HB2 SER 21 6.309 -2.317 10.637 156 HB3 SER 21 HB1 SER 21 7.482 -3.362 9.848 157 HG SER 21 HG SER 21 8.637 -2.514 11.455 158 H ASN 22 HN ASN 22 8.233 -3.312 7.357 159 HA ASN 22 HA ASN 22 10.386 -1.592 6.381 160 HB2 ASN 22 HB2 ASN 22 11.450 -4.153 7.442 161 HB3 ASN 22 HB1 ASN 22 12.146 -2.536 7.496 162 HD21 ASN 22 HD21 ASN 22 10.843 -4.941 9.419 163 HD22 ASN 22 HD22 ASN 22 10.404 -4.002 10.759 164 H SER 23 HN SER 23 11.814 -2.803 4.844 165 HA SER 23 HA SER 23 10.302 -4.026 2.786 166 HB2 SER 23 HB2 SER 23 12.526 -2.865 2.536 167 HB3 SER 23 HB1 SER 23 13.286 -4.271 3.258 168 HG SER 23 HG SER 23 13.051 -5.301 1.445 169 H CYS 24 HN CYS 24 12.289 -5.322 5.398 170 HA CYS 24 HA CYS 24 12.375 -8.013 4.624 171 HB2 CYS 24 HB2 CYS 24 13.621 -7.112 6.543 172 HB3 CYS 24 HB1 CYS 24 12.110 -6.840 7.396 173 H GLU 25 HN GLU 25 10.032 -6.227 6.565 174 HA GLU 25 HA GLU 25 8.233 -8.351 7.010 175 HB2 GLU 25 HB2 GLU 25 7.829 -5.359 6.960 176 HB3 GLU 25 HB1 GLU 25 6.566 -6.501 7.423 177 HG2 GLU 25 HG2 GLU 25 9.302 -6.436 8.719 178 HG3 GLU 25 HG1 GLU 25 7.911 -5.570 9.358 179 H MET 26 HN MET 26 8.547 -6.002 4.383 180 HA MET 26 HA MET 26 6.126 -6.565 3.049 181 HB2 MET 26 HB2 MET 26 8.798 -5.606 2.011 182 HB3 MET 26 HB1 MET 26 7.373 -5.723 1.009 183 HG2 MET 26 HG2 MET 26 6.173 -4.174 2.461 184 HG3 MET 26 HG1 MET 26 7.549 -4.114 3.555 185 HE1 MET 26 HE1 MET 26 7.577 -4.000 -0.561 186 HE2 MET 26 HE2 MET 26 7.054 -2.319 -0.594 187 HE3 MET 26 HE3 MET 26 6.069 -3.523 0.230 188 H GLN 27 HN GLN 27 9.361 -8.001 2.782 189 HA GLN 27 HA GLN 27 8.677 -9.856 0.716 190 HB2 GLN 27 HB2 GLN 27 10.933 -9.815 2.732 191 HB3 GLN 27 HB1 GLN 27 10.808 -10.978 1.413 192 HG2 GLN 27 HG2 GLN 27 10.878 -7.969 1.047 193 HG3 GLN 27 HG1 GLN 27 12.272 -9.030 0.854 194 HE21 GLN 27 HE21 GLN 27 10.336 -7.362 -1.069 195 HE22 GLN 27 HE22 GLN 27 10.100 -8.454 -2.348 196 H ARG 28 HN ARG 28 8.837 -10.027 4.240 197 HA ARG 28 HA ARG 28 8.353 -12.789 4.510 198 HB2 ARG 28 HB2 ARG 28 9.164 -11.243 6.304 199 HB3 ARG 28 HB1 ARG 28 7.529 -10.601 6.423 200 HG2 ARG 28 HG2 ARG 28 6.652 -12.778 7.031 201 HG3 ARG 28 HG1 ARG 28 8.222 -13.532 6.756 202 HD2 ARG 28 HD2 ARG 28 7.691 -11.375 8.818 203 HD3 ARG 28 HD1 ARG 28 7.768 -13.099 9.173 204 HE ARG 28 HE ARG 28 10.136 -12.420 7.844 205 HH11 ARG 28 HH11 ARG 28 12.022 -12.003 9.037 206 HH12 ARG 28 HH12 ARG 28 11.903 -11.547 10.704 207 HH21 ARG 28 HH21 ARG 28 8.439 -11.685 10.769 208 HH22 ARG 28 HH22 ARG 28 9.874 -11.367 11.684 209 H ALA 29 HN ALA 29 6.107 -10.034 4.669 210 HA ALA 29 HA ALA 29 3.778 -11.529 5.140 211 HB1 ALA 29 HB1 ALA 29 3.810 -9.130 5.470 212 HB2 ALA 29 HB2 ALA 29 2.571 -9.527 4.279 213 HB3 ALA 29 HB3 ALA 29 4.118 -8.862 3.755 214 H ARG 30 HN ARG 30 5.116 -10.372 2.030 215 HA ARG 30 HA ARG 30 3.042 -11.498 0.451 216 HB2 ARG 30 HB2 ARG 30 5.883 -10.705 -0.218 217 HB3 ARG 30 HB1 ARG 30 4.734 -11.292 -1.422 218 HG2 ARG 30 HG2 ARG 30 3.165 -9.475 -0.783 219 HG3 ARG 30 HG1 ARG 30 4.362 -8.865 0.360 220 HD2 ARG 30 HD2 ARG 30 5.957 -8.525 -1.491 221 HD3 ARG 30 HD1 ARG 30 4.767 -9.138 -2.633 222 HE ARG 30 HE ARG 30 3.621 -7.001 -1.191 223 HH11 ARG 30 HH11 ARG 30 3.498 -4.962 -2.182 224 HH12 ARG 30 HH12 ARG 30 4.535 -4.589 -3.518 225 HH21 ARG 30 HH21 ARG 30 6.096 -7.685 -3.511 226 HH22 ARG 30 HH22 ARG 30 6.007 -6.132 -4.271 227 H CYS 31 HN CYS 31 6.149 -12.699 1.586 228 HA CYS 31 HA CYS 31 6.240 -15.088 0.099 229 HB2 CYS 31 HB2 CYS 31 8.160 -14.153 1.322 230 HB3 CYS 31 HB1 CYS 31 7.365 -14.522 2.852 231 H LEU 32 HN LEU 32 4.912 -14.392 3.336 232 HA LEU 32 HA LEU 32 4.122 -17.033 3.942 233 HB2 LEU 32 HB2 LEU 32 3.073 -14.356 4.865 234 HB3 LEU 32 HB1 LEU 32 2.489 -15.885 5.512 235 HG LEU 32 HG LEU 32 5.418 -15.102 5.495 236 HD11 LEU 32 HD11 LEU 32 4.060 -13.497 6.826 237 HD12 LEU 32 HD12 LEU 32 5.131 -14.463 7.841 238 HD13 LEU 32 HD13 LEU 32 3.411 -14.848 7.756 239 HD21 LEU 32 HD21 LEU 32 3.805 -17.360 6.682 240 HD22 LEU 32 HD22 LEU 32 5.275 -16.826 7.494 241 HD23 LEU 32 HD23 LEU 32 5.353 -17.420 5.841 242 H ARG 33 HN ARG 33 2.465 -14.401 2.258 243 HA ARG 33 HA ARG 33 -0.072 -15.602 2.054 244 HB2 ARG 33 HB2 ARG 33 0.361 -13.229 1.524 245 HB3 ARG 33 HB1 ARG 33 1.276 -13.723 0.100 246 HG2 ARG 33 HG2 ARG 33 -0.698 -14.760 -0.873 247 HG3 ARG 33 HG1 ARG 33 -1.629 -14.439 0.591 248 HD2 ARG 33 HD2 ARG 33 -2.160 -12.746 -1.079 249 HD3 ARG 33 HD1 ARG 33 -1.268 -11.998 0.243 250 HE ARG 33 HE ARG 33 0.525 -12.843 -1.800 251 HH11 ARG 33 HH11 ARG 33 1.409 -11.245 -3.150 252 HH12 ARG 33 HH12 ARG 33 0.649 -9.693 -3.260 253 HH21 ARG 33 HH21 ARG 33 -1.886 -10.482 -1.030 254 HH22 ARG 33 HH22 ARG 33 -1.215 -9.260 -2.058 255 H GLY 34 HN GLY 34 2.763 -15.753 -0.079 256 HA2 GLY 34 HA2 GLY 34 2.531 -18.355 -0.907 257 HA3 GLY 34 HA1 GLY 34 1.488 -17.459 -2.009 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 14.217 -14.481 1.802 2 H2 CYS 1 HT2 CYS 1 13.398 -13.574 0.622 3 H3 CYS 1 HT3 CYS 1 12.845 -15.125 1.041 4 HA CYS 1 HA CYS 1 12.479 -12.583 2.405 5 HB2 CYS 1 HB2 CYS 1 10.347 -13.636 2.976 6 HB3 CYS 1 HB1 CYS 1 10.659 -13.735 1.244 7 HA PRO 2 HA PRO 2 14.901 -14.713 5.742 8 HB2 PRO 2 HB2 PRO 2 14.668 -11.923 6.822 9 HB3 PRO 2 HB1 PRO 2 16.090 -12.986 6.742 10 HG2 PRO 2 HG2 PRO 2 15.847 -10.968 5.056 11 HG3 PRO 2 HG1 PRO 2 16.456 -12.537 4.491 12 HD2 PRO 2 HD2 PRO 2 13.720 -11.338 4.130 13 HD3 PRO 2 HD1 PRO 2 14.701 -12.267 2.974 14 H GLN 3 HN GLN 3 14.161 -15.573 7.644 15 HA GLN 3 HA GLN 3 11.404 -15.477 8.254 16 HB2 GLN 3 HB2 GLN 3 13.778 -16.474 9.845 17 HB3 GLN 3 HB1 GLN 3 12.103 -16.694 10.352 18 HG2 GLN 3 HG2 GLN 3 13.220 -17.638 7.696 19 HG3 GLN 3 HG1 GLN 3 13.032 -18.666 9.113 20 HE21 GLN 3 HE21 GLN 3 11.577 -18.350 6.298 21 HE22 GLN 3 HE22 GLN 3 9.941 -18.475 6.733 22 H VAL 4 HN VAL 4 14.210 -13.831 9.608 23 HA VAL 4 HA VAL 4 12.430 -12.252 11.385 24 HB VAL 4 HB VAL 4 14.471 -11.758 12.675 25 HG11 VAL 4 HG11 VAL 4 14.817 -14.032 13.576 26 HG12 VAL 4 HG12 VAL 4 14.046 -14.715 12.144 27 HG13 VAL 4 HG13 VAL 4 13.107 -13.728 13.264 28 HG21 VAL 4 HG21 VAL 4 16.149 -11.867 10.939 29 HG22 VAL 4 HG22 VAL 4 15.751 -13.550 10.590 30 HG23 VAL 4 HG23 VAL 4 16.525 -13.125 12.116 31 H CYS 5 HN CYS 5 12.989 -9.974 11.635 32 HA CYS 5 HA CYS 5 14.307 -8.804 9.258 33 HB2 CYS 5 HB2 CYS 5 11.664 -8.056 10.513 34 HB3 CYS 5 HB1 CYS 5 12.519 -6.987 9.422 35 HA PRO 6 HA PRO 6 16.590 -6.470 12.196 36 HB2 PRO 6 HB2 PRO 6 17.219 -4.210 10.807 37 HB3 PRO 6 HB1 PRO 6 17.916 -5.796 10.420 38 HG2 PRO 6 HG2 PRO 6 15.643 -4.361 9.112 39 HG3 PRO 6 HG1 PRO 6 16.992 -5.241 8.369 40 HD2 PRO 6 HD2 PRO 6 14.520 -6.343 8.656 41 HD3 PRO 6 HD1 PRO 6 15.997 -7.315 8.701 42 H ALA 7 HN ALA 7 16.517 -4.755 13.672 43 HA ALA 7 HA ALA 7 13.966 -3.798 14.392 44 HB1 ALA 7 HB1 ALA 7 15.063 -2.618 16.133 45 HB2 ALA 7 HB2 ALA 7 16.572 -2.524 15.224 46 HB3 ALA 7 HB3 ALA 7 16.032 -4.070 15.878 47 H ILE 8 HN ILE 8 16.601 -2.380 12.526 48 HA ILE 8 HA ILE 8 16.069 0.261 12.369 49 HB ILE 8 HB ILE 8 16.430 -1.424 9.886 50 HG12 ILE 8 HG12 ILE 8 18.078 -2.153 11.514 51 HG13 ILE 8 HG11 ILE 8 18.882 -1.122 10.335 52 HG21 ILE 8 HG21 ILE 8 15.962 0.989 9.554 53 HG22 ILE 8 HG22 ILE 8 17.596 0.561 9.051 54 HG23 ILE 8 HG23 ILE 8 17.335 1.383 10.589 55 HD11 ILE 8 HD11 ILE 8 19.692 -0.314 12.390 56 HD12 ILE 8 HD12 ILE 8 18.129 -0.493 13.184 57 HD13 ILE 8 HD13 ILE 8 18.384 0.807 12.020 58 H TYR 9 HN TYR 9 14.063 1.025 12.613 59 HA TYR 9 HA TYR 9 11.776 0.001 11.208 60 HB2 TYR 9 HB2 TYR 9 12.007 1.265 13.523 61 HB3 TYR 9 HB1 TYR 9 11.853 2.707 12.528 62 HD1 TYR 9 HD1 TYR 9 9.699 3.496 12.018 63 HD2 TYR 9 HD2 TYR 9 10.237 -0.634 13.074 64 HE1 TYR 9 HE1 TYR 9 7.241 3.169 11.991 65 HE2 TYR 9 HE2 TYR 9 7.778 -0.960 13.039 66 HH TYR 9 HH TYR 9 5.781 0.236 11.834 67 H GLN 10 HN GLN 10 11.711 0.274 9.014 68 HA GLN 10 HA GLN 10 12.170 3.034 7.971 69 HB2 GLN 10 HB2 GLN 10 14.031 1.431 7.410 70 HB3 GLN 10 HB1 GLN 10 12.853 0.480 6.503 71 HG2 GLN 10 HG2 GLN 10 12.387 2.345 5.031 72 HG3 GLN 10 HG1 GLN 10 13.385 3.422 6.005 73 HE21 GLN 10 HE21 GLN 10 13.727 2.611 3.113 74 HE22 GLN 10 HE22 GLN 10 15.289 1.953 3.025 75 HA PRO 11 HA PRO 11 7.778 1.467 7.268 76 HB2 PRO 11 HB2 PRO 11 7.680 4.459 7.121 77 HB3 PRO 11 HB1 PRO 11 6.468 3.334 7.763 78 HG2 PRO 11 HG2 PRO 11 8.090 4.647 9.399 79 HG3 PRO 11 HG1 PRO 11 7.661 2.952 9.704 80 HD2 PRO 11 HD2 PRO 11 10.254 4.081 8.752 81 HD3 PRO 11 HD1 PRO 11 9.932 2.582 9.645 82 H VAL 12 HN VAL 12 7.066 0.931 5.385 83 HA VAL 12 HA VAL 12 7.824 2.500 2.981 84 HB VAL 12 HB VAL 12 7.549 -0.495 2.896 85 HG11 VAL 12 HG11 VAL 12 9.129 1.544 1.319 86 HG12 VAL 12 HG12 VAL 12 7.688 0.683 0.778 87 HG13 VAL 12 HG13 VAL 12 9.193 -0.197 1.054 88 HG21 VAL 12 HG21 VAL 12 10.023 -0.622 3.233 89 HG22 VAL 12 HG22 VAL 12 9.142 -0.120 4.672 90 HG23 VAL 12 HG23 VAL 12 10.005 1.077 3.710 91 H PHE 13 HN PHE 13 6.346 2.451 1.268 92 HA PHE 13 HA PHE 13 3.592 1.599 1.972 93 HB2 PHE 13 HB2 PHE 13 4.642 3.984 0.446 94 HB3 PHE 13 HB1 PHE 13 2.974 3.446 0.295 95 HD1 PHE 13 HD1 PHE 13 1.373 3.830 2.023 96 HD2 PHE 13 HD2 PHE 13 5.527 4.695 2.689 97 HE1 PHE 13 HE1 PHE 13 0.785 5.020 4.112 98 HE2 PHE 13 HE2 PHE 13 4.941 5.886 4.785 99 HZ PHE 13 HZ PHE 13 2.570 6.050 5.497 100 H ASP 14 HN ASP 14 2.492 0.346 0.534 101 HA ASP 14 HA ASP 14 3.950 -0.484 -1.910 102 HB2 ASP 14 HB2 ASP 14 1.849 -1.816 -0.217 103 HB3 ASP 14 HB1 ASP 14 2.159 -2.353 -1.865 104 H GLU 15 HN GLU 15 2.800 -0.754 -3.865 105 HA GLU 15 HA GLU 15 1.286 1.458 -4.648 106 HB2 GLU 15 HB2 GLU 15 0.915 0.258 -6.740 107 HB3 GLU 15 HB1 GLU 15 2.579 0.037 -6.199 108 HG2 GLU 15 HG2 GLU 15 1.892 -2.138 -5.155 109 HG3 GLU 15 HG1 GLU 15 0.296 -1.930 -5.874 110 H PHE 16 HN PHE 16 0.249 -0.980 -2.671 111 HA PHE 16 HA PHE 16 -2.534 -0.943 -3.639 112 HB2 PHE 16 HB2 PHE 16 -1.121 -2.639 -1.565 113 HB3 PHE 16 HB1 PHE 16 -2.841 -2.734 -1.926 114 HD1 PHE 16 HD1 PHE 16 0.537 -3.519 -3.091 115 HD2 PHE 16 HD2 PHE 16 -3.628 -3.517 -4.141 116 HE1 PHE 16 HE1 PHE 16 1.018 -5.027 -5.000 117 HE2 PHE 16 HE2 PHE 16 -3.148 -5.026 -6.050 118 HZ PHE 16 HZ PHE 16 -0.825 -5.781 -6.480 119 H GLY 17 HN GLY 17 -0.536 0.818 -1.781 120 HA2 GLY 17 HA2 GLY 17 -1.016 2.572 -0.341 121 HA3 GLY 17 HA1 GLY 17 -2.694 2.045 -0.329 122 H ARG 18 HN ARG 18 -0.693 -0.558 0.213 123 HA ARG 18 HA ARG 18 -1.506 -0.746 2.980 124 HB2 ARG 18 HB2 ARG 18 0.168 -2.527 1.210 125 HB3 ARG 18 HB1 ARG 18 -0.190 -2.899 2.894 126 HG2 ARG 18 HG2 ARG 18 -2.589 -2.862 2.418 127 HG3 ARG 18 HG1 ARG 18 -2.271 -2.400 0.746 128 HD2 ARG 18 HD2 ARG 18 -2.684 -4.809 0.873 129 HD3 ARG 18 HD1 ARG 18 -1.009 -4.510 0.421 130 HE ARG 18 HE ARG 18 -0.339 -5.416 2.462 131 HH11 ARG 18 HH11 ARG 18 -0.752 -6.515 4.407 132 HH12 ARG 18 HH12 ARG 18 -2.370 -6.607 5.016 133 HH21 ARG 18 HH21 ARG 18 -3.742 -4.797 2.396 134 HH22 ARG 18 HH22 ARG 18 -4.063 -5.634 3.879 135 H MET 19 HN MET 19 -0.239 -0.622 4.780 136 HA MET 19 HA MET 19 2.320 0.796 4.471 137 HB2 MET 19 HB2 MET 19 0.473 0.403 6.832 138 HB3 MET 19 HB1 MET 19 2.025 1.235 6.920 139 HG2 MET 19 HG2 MET 19 1.291 2.904 5.327 140 HG3 MET 19 HG1 MET 19 -0.203 2.019 5.022 141 HE1 MET 19 HE1 MET 19 2.018 3.879 7.318 142 HE2 MET 19 HE2 MET 19 1.598 2.780 8.630 143 HE3 MET 19 HE3 MET 19 1.036 4.449 8.675 144 H TYR 20 HN TYR 20 4.217 -0.021 5.069 145 HA TYR 20 HA TYR 20 4.316 -2.580 6.565 146 HB2 TYR 20 HB2 TYR 20 5.835 -1.800 4.071 147 HB3 TYR 20 HB1 TYR 20 6.344 -3.109 5.135 148 HD1 TYR 20 HD1 TYR 20 4.989 -5.139 5.388 149 HD2 TYR 20 HD2 TYR 20 3.841 -1.987 2.702 150 HE1 TYR 20 HE1 TYR 20 3.374 -6.666 4.278 151 HE2 TYR 20 HE2 TYR 20 2.230 -3.511 1.596 152 HH TYR 20 HH TYR 20 1.187 -5.501 1.741 153 H SER 21 HN SER 21 5.921 -2.695 8.102 154 HA SER 21 HA SER 21 7.015 -0.270 9.075 155 HB2 SER 21 HB2 SER 21 6.600 -2.146 10.562 156 HB3 SER 21 HB1 SER 21 7.759 -3.137 9.687 157 HG SER 21 HG SER 21 9.153 -2.318 11.025 158 H ASN 22 HN ASN 22 8.506 -2.960 7.238 159 HA ASN 22 HA ASN 22 10.483 -1.106 6.185 160 HB2 ASN 22 HB2 ASN 22 12.419 -2.412 6.908 161 HB3 ASN 22 HB1 ASN 22 11.536 -1.757 8.286 162 HD21 ASN 22 HD21 ASN 22 11.602 -3.319 9.895 163 HD22 ASN 22 HD22 ASN 22 11.314 -4.959 9.663 164 H SER 23 HN SER 23 11.957 -2.241 4.617 165 HA SER 23 HA SER 23 10.429 -3.641 2.707 166 HB2 SER 23 HB2 SER 23 13.404 -3.242 2.999 167 HB3 SER 23 HB1 SER 23 12.680 -4.064 1.619 168 HG SER 23 HG SER 23 12.181 -2.175 0.868 169 H CYS 24 HN CYS 24 12.577 -4.856 5.272 170 HA CYS 24 HA CYS 24 12.781 -7.504 4.317 171 HB2 CYS 24 HB2 CYS 24 14.118 -6.730 6.203 172 HB3 CYS 24 HB1 CYS 24 12.668 -6.489 7.162 173 H GLU 25 HN GLU 25 10.476 -5.909 6.426 174 HA GLU 25 HA GLU 25 8.782 -8.079 6.922 175 HB2 GLU 25 HB2 GLU 25 8.263 -5.113 6.887 176 HB3 GLU 25 HB1 GLU 25 7.033 -6.291 7.345 177 HG2 GLU 25 HG2 GLU 25 9.765 -6.160 8.640 178 HG3 GLU 25 HG1 GLU 25 8.348 -5.330 9.275 179 H MET 26 HN MET 26 8.892 -5.732 4.289 180 HA MET 26 HA MET 26 6.444 -6.343 3.050 181 HB2 MET 26 HB2 MET 26 9.061 -5.351 1.918 182 HB3 MET 26 HB1 MET 26 7.609 -5.497 0.959 183 HG2 MET 26 HG2 MET 26 6.430 -3.946 2.407 184 HG3 MET 26 HG1 MET 26 7.806 -3.887 3.506 185 HE1 MET 26 HE1 MET 26 8.113 -3.670 -0.689 186 HE2 MET 26 HE2 MET 26 7.214 -2.158 -0.615 187 HE3 MET 26 HE3 MET 26 6.530 -3.616 0.096 188 H GLN 27 HN GLN 27 9.690 -7.719 2.559 189 HA GLN 27 HA GLN 27 8.900 -9.557 0.532 190 HB2 GLN 27 HB2 GLN 27 11.274 -9.494 2.402 191 HB3 GLN 27 HB1 GLN 27 11.076 -10.687 1.118 192 HG2 GLN 27 HG2 GLN 27 10.943 -8.877 -0.551 193 HG3 GLN 27 HG1 GLN 27 11.139 -7.680 0.729 194 HE21 GLN 27 HE21 GLN 27 13.226 -6.864 0.323 195 HE22 GLN 27 HE22 GLN 27 14.618 -7.831 0.219 196 H ARG 28 HN ARG 28 9.245 -9.762 4.030 197 HA ARG 28 HA ARG 28 8.861 -12.513 4.380 198 HB2 ARG 28 HB2 ARG 28 9.599 -10.831 6.100 199 HB3 ARG 28 HB1 ARG 28 7.919 -10.334 6.242 200 HG2 ARG 28 HG2 ARG 28 7.278 -12.634 6.853 201 HG3 ARG 28 HG1 ARG 28 8.964 -13.140 6.716 202 HD2 ARG 28 HD2 ARG 28 9.567 -11.471 8.468 203 HD3 ARG 28 HD1 ARG 28 7.857 -11.086 8.651 204 HE ARG 28 HE ARG 28 9.214 -13.461 9.620 205 HH11 ARG 28 HH11 ARG 28 7.933 -14.851 10.880 206 HH12 ARG 28 HH12 ARG 28 6.211 -14.660 10.894 207 HH21 ARG 28 HH21 ARG 28 6.227 -11.975 8.699 208 HH22 ARG 28 HH22 ARG 28 5.246 -13.032 9.658 209 H ALA 29 HN ALA 29 6.475 -9.876 4.407 210 HA ALA 29 HA ALA 29 4.228 -11.431 5.031 211 HB1 ALA 29 HB1 ALA 29 4.074 -9.051 5.183 212 HB2 ALA 29 HB2 ALA 29 2.933 -9.561 3.938 213 HB3 ALA 29 HB3 ALA 29 4.482 -8.856 3.478 214 H ARG 30 HN ARG 30 5.472 -10.507 1.809 215 HA ARG 30 HA ARG 30 3.414 -11.841 0.378 216 HB2 ARG 30 HB2 ARG 30 6.197 -10.980 -0.423 217 HB3 ARG 30 HB1 ARG 30 5.051 -11.711 -1.549 218 HG2 ARG 30 HG2 ARG 30 3.405 -9.924 -0.979 219 HG3 ARG 30 HG1 ARG 30 4.626 -9.164 0.042 220 HD2 ARG 30 HD2 ARG 30 6.115 -8.933 -1.918 221 HD3 ARG 30 HD1 ARG 30 4.884 -9.674 -2.936 222 HE ARG 30 HE ARG 30 4.876 -6.961 -1.904 223 HH11 ARG 30 HH11 ARG 30 3.173 -5.655 -2.648 224 HH12 ARG 30 HH12 ARG 30 1.819 -6.379 -3.449 225 HH21 ARG 30 HH21 ARG 30 3.054 -9.609 -3.186 226 HH22 ARG 30 HH22 ARG 30 1.753 -8.618 -3.755 227 H CYS 31 HN CYS 31 6.549 -12.846 1.596 228 HA CYS 31 HA CYS 31 6.787 -15.303 0.255 229 HB2 CYS 31 HB2 CYS 31 8.434 -13.973 1.765 230 HB3 CYS 31 HB1 CYS 31 7.753 -14.923 3.076 231 H LEU 32 HN LEU 32 5.108 -14.416 3.247 232 HA LEU 32 HA LEU 32 4.472 -17.033 4.103 233 HB2 LEU 32 HB2 LEU 32 3.092 -14.383 4.553 234 HB3 LEU 32 HB1 LEU 32 2.586 -15.876 5.337 235 HG LEU 32 HG LEU 32 5.398 -14.750 5.511 236 HD11 LEU 32 HD11 LEU 32 3.982 -13.160 6.596 237 HD12 LEU 32 HD12 LEU 32 4.655 -14.162 7.881 238 HD13 LEU 32 HD13 LEU 32 3.002 -14.428 7.329 239 HD21 LEU 32 HD21 LEU 32 3.967 -17.114 6.716 240 HD22 LEU 32 HD22 LEU 32 5.212 -16.307 7.666 241 HD23 LEU 32 HD23 LEU 32 5.614 -16.999 6.100 242 H ARG 33 HN ARG 33 2.859 -14.800 1.893 243 HA ARG 33 HA ARG 33 0.450 -16.224 1.574 244 HB2 ARG 33 HB2 ARG 33 1.944 -14.419 -0.341 245 HB3 ARG 33 HB1 ARG 33 0.308 -15.017 -0.618 246 HG2 ARG 33 HG2 ARG 33 -0.438 -13.960 1.483 247 HG3 ARG 33 HG1 ARG 33 1.198 -13.359 1.761 248 HD2 ARG 33 HD2 ARG 33 1.085 -12.091 -0.359 249 HD3 ARG 33 HD1 ARG 33 -0.557 -12.673 -0.613 250 HE ARG 33 HE ARG 33 -0.411 -11.429 1.918 251 HH11 ARG 33 HH11 ARG 33 -1.221 -9.319 2.140 252 HH12 ARG 33 HH12 ARG 33 -1.415 -8.320 0.737 253 HH21 ARG 33 HH21 ARG 33 -0.245 -10.728 -1.467 254 HH22 ARG 33 HH22 ARG 33 -0.864 -9.118 -1.304 255 H GLY 34 HN GLY 34 -0.176 -17.850 0.205 256 HA2 GLY 34 HA2 GLY 34 1.902 -19.612 -0.758 257 HA3 GLY 34 HA1 GLY 34 0.165 -19.896 -0.839 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 12.246 -15.567 1.444 2 H2 CYS 1 HT2 CYS 1 13.434 -14.822 0.486 3 H3 CYS 1 HT3 CYS 1 11.791 -14.659 0.086 4 HA CYS 1 HA CYS 1 12.647 -12.654 1.116 5 HB2 CYS 1 HB2 CYS 1 10.943 -12.742 3.117 6 HB3 CYS 1 HB1 CYS 1 10.346 -12.890 1.465 7 HA PRO 2 HA PRO 2 15.849 -13.114 4.224 8 HB2 PRO 2 HB2 PRO 2 14.408 -10.894 5.656 9 HB3 PRO 2 HB1 PRO 2 16.138 -11.061 5.294 10 HG2 PRO 2 HG2 PRO 2 14.616 -9.435 3.864 11 HG3 PRO 2 HG1 PRO 2 15.870 -10.419 3.086 12 HD2 PRO 2 HD2 PRO 2 12.896 -10.787 3.046 13 HD3 PRO 2 HD1 PRO 2 14.111 -11.168 1.802 14 H GLN 3 HN GLN 3 16.044 -14.404 6.005 15 HA GLN 3 HA GLN 3 13.717 -15.573 7.186 16 HB2 GLN 3 HB2 GLN 3 16.660 -15.754 7.856 17 HB3 GLN 3 HB1 GLN 3 15.414 -16.671 8.705 18 HG2 GLN 3 HG2 GLN 3 14.747 -17.784 6.668 19 HG3 GLN 3 HG1 GLN 3 15.800 -16.749 5.702 20 HE21 GLN 3 HE21 GLN 3 15.888 -19.746 6.016 21 HE22 GLN 3 HE22 GLN 3 17.452 -20.085 6.583 22 H VAL 4 HN VAL 4 15.673 -12.837 7.910 23 HA VAL 4 HA VAL 4 14.185 -12.401 10.436 24 HB VAL 4 HB VAL 4 16.223 -11.422 11.413 25 HG11 VAL 4 HG11 VAL 4 17.304 -13.492 11.918 26 HG12 VAL 4 HG12 VAL 4 16.849 -14.190 10.364 27 HG13 VAL 4 HG13 VAL 4 15.620 -13.904 11.595 28 HG21 VAL 4 HG21 VAL 4 17.414 -10.687 9.462 29 HG22 VAL 4 HG22 VAL 4 17.419 -12.312 8.776 30 HG23 VAL 4 HG23 VAL 4 18.401 -11.952 10.196 31 H CYS 5 HN CYS 5 14.107 -10.109 11.068 32 HA CYS 5 HA CYS 5 14.341 -8.255 8.764 33 HB2 CYS 5 HB2 CYS 5 12.109 -8.364 10.802 34 HB3 CYS 5 HB1 CYS 5 12.249 -7.182 9.523 35 HA PRO 6 HA PRO 6 16.574 -5.750 11.663 36 HB2 PRO 6 HB2 PRO 6 16.235 -3.256 10.588 37 HB3 PRO 6 HB1 PRO 6 17.270 -4.492 9.840 38 HG2 PRO 6 HG2 PRO 6 14.463 -3.712 9.160 39 HG3 PRO 6 HG1 PRO 6 15.833 -4.033 8.079 40 HD2 PRO 6 HD2 PRO 6 13.902 -5.892 8.550 41 HD3 PRO 6 HD1 PRO 6 15.590 -6.343 8.233 42 H ALA 7 HN ALA 7 16.254 -4.532 13.507 43 HA ALA 7 HA ALA 7 13.475 -4.066 14.302 44 HB1 ALA 7 HB1 ALA 7 14.314 -3.892 16.528 45 HB2 ALA 7 HB2 ALA 7 15.966 -3.648 15.962 46 HB3 ALA 7 HB3 ALA 7 15.196 -5.224 15.780 47 H ILE 8 HN ILE 8 15.699 -2.372 12.639 48 HA ILE 8 HA ILE 8 15.838 0.141 13.892 49 HB ILE 8 HB ILE 8 15.949 -0.632 10.969 50 HG12 ILE 8 HG12 ILE 8 18.157 0.189 12.874 51 HG13 ILE 8 HG11 ILE 8 17.704 -1.494 12.599 52 HG21 ILE 8 HG21 ILE 8 17.125 1.632 10.782 53 HG22 ILE 8 HG22 ILE 8 16.447 2.007 12.367 54 HG23 ILE 8 HG23 ILE 8 15.377 1.691 11.002 55 HD11 ILE 8 HD11 ILE 8 18.527 0.429 10.405 56 HD12 ILE 8 HD12 ILE 8 18.218 -1.299 10.231 57 HD13 ILE 8 HD13 ILE 8 19.610 -0.741 11.158 58 H TYR 9 HN TYR 9 13.488 -1.185 11.588 59 HA TYR 9 HA TYR 9 11.246 -0.656 11.333 60 HB2 TYR 9 HB2 TYR 9 11.587 0.301 13.796 61 HB3 TYR 9 HB1 TYR 9 11.484 1.854 12.974 62 HD1 TYR 9 HD1 TYR 9 9.387 2.731 12.297 63 HD2 TYR 9 HD2 TYR 9 9.710 -1.400 13.432 64 HE1 TYR 9 HE1 TYR 9 6.917 2.520 12.233 65 HE2 TYR 9 HE2 TYR 9 7.241 -1.610 13.365 66 HH TYR 9 HH TYR 9 5.282 -0.301 13.440 67 H GLN 10 HN GLN 10 11.386 -0.183 9.184 68 HA GLN 10 HA GLN 10 11.818 2.672 8.460 69 HB2 GLN 10 HB2 GLN 10 12.762 0.222 6.956 70 HB3 GLN 10 HB1 GLN 10 12.854 1.878 6.354 71 HG2 GLN 10 HG2 GLN 10 14.112 0.959 8.952 72 HG3 GLN 10 HG1 GLN 10 14.983 1.062 7.422 73 HE21 GLN 10 HE21 GLN 10 14.237 2.826 10.207 74 HE22 GLN 10 HE22 GLN 10 14.547 4.383 9.605 75 HA PRO 11 HA PRO 11 7.497 1.104 7.394 76 HB2 PRO 11 HB2 PRO 11 7.386 4.105 7.470 77 HB3 PRO 11 HB1 PRO 11 6.144 2.928 7.949 78 HG2 PRO 11 HG2 PRO 11 7.652 4.097 9.782 79 HG3 PRO 11 HG1 PRO 11 7.234 2.378 9.916 80 HD2 PRO 11 HD2 PRO 11 9.854 3.616 9.208 81 HD3 PRO 11 HD1 PRO 11 9.514 2.041 9.953 82 H VAL 12 HN VAL 12 6.891 0.680 5.448 83 HA VAL 12 HA VAL 12 7.709 2.447 3.204 84 HB VAL 12 HB VAL 12 7.567 -0.558 3.063 85 HG11 VAL 12 HG11 VAL 12 8.582 1.603 1.223 86 HG12 VAL 12 HG12 VAL 12 7.242 0.492 0.939 87 HG13 VAL 12 HG13 VAL 12 8.897 -0.113 0.980 88 HG21 VAL 12 HG21 VAL 12 9.882 1.295 3.632 89 HG22 VAL 12 HG22 VAL 12 10.134 -0.287 2.890 90 HG23 VAL 12 HG23 VAL 12 9.408 -0.169 4.486 91 H PHE 13 HN PHE 13 6.348 2.419 1.396 92 HA PHE 13 HA PHE 13 3.568 1.536 1.919 93 HB2 PHE 13 HB2 PHE 13 4.664 3.921 0.423 94 HB3 PHE 13 HB1 PHE 13 2.990 3.391 0.297 95 HD1 PHE 13 HD1 PHE 13 1.463 3.546 2.204 96 HD2 PHE 13 HD2 PHE 13 5.536 4.878 2.495 97 HE1 PHE 13 HE1 PHE 13 0.921 4.739 4.307 98 HE2 PHE 13 HE2 PHE 13 4.995 6.071 4.601 99 HZ PHE 13 HZ PHE 13 2.687 6.002 5.508 100 H ASP 14 HN ASP 14 2.792 0.033 0.566 101 HA ASP 14 HA ASP 14 4.401 -0.871 -1.658 102 HB2 ASP 14 HB2 ASP 14 2.951 -2.307 -0.068 103 HB3 ASP 14 HB1 ASP 14 1.596 -1.793 -1.069 104 H GLU 15 HN GLU 15 3.449 -1.241 -3.796 105 HA GLU 15 HA GLU 15 2.666 1.101 -5.077 106 HB2 GLU 15 HB2 GLU 15 3.675 -0.788 -6.248 107 HB3 GLU 15 HB1 GLU 15 2.255 -1.778 -5.919 108 HG2 GLU 15 HG2 GLU 15 0.865 -0.372 -7.298 109 HG3 GLU 15 HG1 GLU 15 2.154 0.814 -7.476 110 H PHE 16 HN PHE 16 0.771 -1.011 -3.181 111 HA PHE 16 HA PHE 16 -1.763 -0.133 -4.395 112 HB2 PHE 16 HB2 PHE 16 -1.043 -2.312 -2.424 113 HB3 PHE 16 HB1 PHE 16 -2.702 -1.900 -2.865 114 HD1 PHE 16 HD1 PHE 16 -3.674 -2.845 -4.803 115 HD2 PHE 16 HD2 PHE 16 0.600 -2.788 -4.377 116 HE1 PHE 16 HE1 PHE 16 -3.446 -4.169 -6.889 117 HE2 PHE 16 HE2 PHE 16 0.828 -4.111 -6.458 118 HZ PHE 16 HZ PHE 16 -1.196 -4.806 -7.714 119 H GLY 17 HN GLY 17 0.375 0.945 -2.242 120 HA2 GLY 17 HA2 GLY 17 0.203 2.671 -0.709 121 HA3 GLY 17 HA1 GLY 17 -1.541 2.600 -0.903 122 H ARG 18 HN ARG 18 0.031 -0.372 -0.220 123 HA ARG 18 HA ARG 18 -1.367 -0.602 2.296 124 HB2 ARG 18 HB2 ARG 18 0.608 -2.419 0.913 125 HB3 ARG 18 HB1 ARG 18 -0.196 -2.817 2.427 126 HG2 ARG 18 HG2 ARG 18 -2.383 -2.622 1.353 127 HG3 ARG 18 HG1 ARG 18 -1.622 -2.128 -0.158 128 HD2 ARG 18 HD2 ARG 18 -0.461 -4.297 -0.290 129 HD3 ARG 18 HD1 ARG 18 -1.209 -4.793 1.226 130 HE ARG 18 HE ARG 18 -3.264 -4.050 -0.531 131 HH11 ARG 18 HH11 ARG 18 -4.396 -5.655 -1.672 132 HH12 ARG 18 HH12 ARG 18 -3.673 -7.209 -1.916 133 HH21 ARG 18 HH21 ARG 18 -0.750 -6.409 -0.231 134 HH22 ARG 18 HH22 ARG 18 -1.609 -7.636 -1.102 135 H MET 19 HN MET 19 -0.468 -0.746 4.358 136 HA MET 19 HA MET 19 2.044 0.731 4.679 137 HB2 MET 19 HB2 MET 19 -0.128 -0.063 6.624 138 HB3 MET 19 HB1 MET 19 1.343 0.795 7.085 139 HG2 MET 19 HG2 MET 19 0.786 2.649 5.617 140 HG3 MET 19 HG1 MET 19 -0.602 1.772 4.977 141 HE1 MET 19 HE1 MET 19 0.617 2.110 8.881 142 HE2 MET 19 HE2 MET 19 -0.033 3.739 9.047 143 HE3 MET 19 HE3 MET 19 1.156 3.398 7.793 144 H TYR 20 HN TYR 20 3.887 -0.224 5.085 145 HA TYR 20 HA TYR 20 3.953 -2.820 6.512 146 HB2 TYR 20 HB2 TYR 20 5.455 -2.011 4.019 147 HB3 TYR 20 HB1 TYR 20 6.016 -3.301 5.079 148 HD1 TYR 20 HD1 TYR 20 3.793 -2.439 2.395 149 HD2 TYR 20 HD2 TYR 20 4.379 -5.205 5.629 150 HE1 TYR 20 HE1 TYR 20 2.218 -4.033 1.322 151 HE2 TYR 20 HE2 TYR 20 2.799 -6.791 4.560 152 HH TYR 20 HH TYR 20 0.970 -5.898 1.677 153 H SER 21 HN SER 21 5.528 -2.975 8.062 154 HA SER 21 HA SER 21 6.640 -0.583 9.086 155 HB2 SER 21 HB2 SER 21 6.136 -2.477 10.530 156 HB3 SER 21 HB1 SER 21 7.340 -3.453 9.703 157 HG SER 21 HG SER 21 8.702 -2.622 11.059 158 H ASN 22 HN ASN 22 8.098 -3.238 7.178 159 HA ASN 22 HA ASN 22 10.152 -1.419 6.252 160 HB2 ASN 22 HB2 ASN 22 12.044 -2.766 7.055 161 HB3 ASN 22 HB1 ASN 22 11.115 -2.079 8.387 162 HD21 ASN 22 HD21 ASN 22 10.714 -3.575 10.005 163 HD22 ASN 22 HD22 ASN 22 10.558 -5.238 9.776 164 H SER 23 HN SER 23 11.767 -2.642 4.831 165 HA SER 23 HA SER 23 10.410 -3.905 2.720 166 HB2 SER 23 HB2 SER 23 12.609 -2.756 2.552 167 HB3 SER 23 HB1 SER 23 13.353 -4.094 3.405 168 HG SER 23 HG SER 23 12.912 -5.424 1.727 169 H CYS 24 HN CYS 24 12.374 -5.317 5.337 170 HA CYS 24 HA CYS 24 12.370 -7.962 4.422 171 HB2 CYS 24 HB2 CYS 24 13.686 -7.196 6.351 172 HB3 CYS 24 HB1 CYS 24 12.211 -6.972 7.266 173 H GLU 25 HN GLU 25 10.071 -6.201 6.423 174 HA GLU 25 HA GLU 25 8.248 -8.311 6.821 175 HB2 GLU 25 HB2 GLU 25 7.898 -5.317 6.875 176 HB3 GLU 25 HB1 GLU 25 6.595 -6.440 7.262 177 HG2 GLU 25 HG2 GLU 25 9.292 -6.398 8.650 178 HG3 GLU 25 HG1 GLU 25 7.832 -5.653 9.287 179 H MET 26 HN MET 26 8.583 -5.887 4.268 180 HA MET 26 HA MET 26 6.162 -6.407 2.912 181 HB2 MET 26 HB2 MET 26 8.835 -5.398 1.931 182 HB3 MET 26 HB1 MET 26 7.433 -5.512 0.896 183 HG2 MET 26 HG2 MET 26 6.179 -4.018 2.373 184 HG3 MET 26 HG1 MET 26 7.544 -3.953 3.476 185 HE1 MET 26 HE1 MET 26 6.081 -3.329 0.154 186 HE2 MET 26 HE2 MET 26 7.596 -3.751 -0.638 187 HE3 MET 26 HE3 MET 26 7.048 -2.077 -0.636 188 H GLN 27 HN GLN 27 9.412 -7.802 2.532 189 HA GLN 27 HA GLN 27 8.668 -9.597 0.434 190 HB2 GLN 27 HB2 GLN 27 11.035 -9.507 2.311 191 HB3 GLN 27 HB1 GLN 27 10.870 -10.685 1.011 192 HG2 GLN 27 HG2 GLN 27 10.808 -8.947 -0.660 193 HG3 GLN 27 HG1 GLN 27 10.731 -7.694 0.578 194 HE21 GLN 27 HE21 GLN 27 12.845 -8.125 -1.527 195 HE22 GLN 27 HE22 GLN 27 14.299 -8.288 -0.667 196 H ARG 28 HN ARG 28 9.005 -9.884 3.940 197 HA ARG 28 HA ARG 28 8.509 -12.688 4.122 198 HB2 ARG 28 HB2 ARG 28 9.544 -11.214 5.894 199 HB3 ARG 28 HB1 ARG 28 7.934 -10.587 6.221 200 HG2 ARG 28 HG2 ARG 28 7.123 -12.834 6.735 201 HG3 ARG 28 HG1 ARG 28 8.700 -13.517 6.345 202 HD2 ARG 28 HD2 ARG 28 8.247 -11.453 8.511 203 HD3 ARG 28 HD1 ARG 28 8.301 -13.187 8.809 204 HE ARG 28 HE ARG 28 10.636 -12.487 7.417 205 HH11 ARG 28 HH11 ARG 28 12.567 -12.166 8.574 206 HH12 ARG 28 HH12 ARG 28 12.504 -11.804 10.266 207 HH21 ARG 28 HH21 ARG 28 9.045 -11.899 10.432 208 HH22 ARG 28 HH22 ARG 28 10.513 -11.654 11.318 209 H ALA 29 HN ALA 29 6.474 -9.826 4.196 210 HA ALA 29 HA ALA 29 4.087 -10.947 5.104 211 HB1 ALA 29 HB1 ALA 29 4.333 -8.546 4.808 212 HB2 ALA 29 HB2 ALA 29 2.963 -9.114 3.854 213 HB3 ALA 29 HB3 ALA 29 4.496 -8.748 3.064 214 H ARG 30 HN ARG 30 5.392 -10.796 1.798 215 HA ARG 30 HA ARG 30 3.149 -12.049 0.570 216 HB2 ARG 30 HB2 ARG 30 6.035 -11.769 -0.290 217 HB3 ARG 30 HB1 ARG 30 4.786 -12.496 -1.301 218 HG2 ARG 30 HG2 ARG 30 3.464 -10.425 -1.185 219 HG3 ARG 30 HG1 ARG 30 4.688 -9.693 -0.147 220 HD2 ARG 30 HD2 ARG 30 5.032 -8.952 -2.446 221 HD3 ARG 30 HD1 ARG 30 6.365 -9.993 -1.959 222 HE ARG 30 HE ARG 30 4.311 -11.517 -3.219 223 HH11 ARG 30 HH11 ARG 30 4.703 -12.246 -5.333 224 HH12 ARG 30 HH12 ARG 30 5.945 -11.503 -6.284 225 HH21 ARG 30 HH21 ARG 30 6.867 -9.260 -3.806 226 HH22 ARG 30 HH22 ARG 30 7.170 -9.811 -5.419 227 H CYS 31 HN CYS 31 6.161 -13.220 1.973 228 HA CYS 31 HA CYS 31 5.958 -15.925 1.195 229 HB2 CYS 31 HB2 CYS 31 7.319 -14.547 3.499 230 HB3 CYS 31 HB1 CYS 31 7.444 -16.272 3.250 231 H LEU 32 HN LEU 32 4.780 -14.171 4.035 232 HA LEU 32 HA LEU 32 3.743 -16.419 5.417 233 HB2 LEU 32 HB2 LEU 32 3.032 -13.481 5.515 234 HB3 LEU 32 HB1 LEU 32 2.361 -14.679 6.617 235 HG LEU 32 HG LEU 32 5.337 -14.248 6.243 236 HD11 LEU 32 HD11 LEU 32 3.567 -13.162 8.452 237 HD12 LEU 32 HD12 LEU 32 4.185 -12.201 7.108 238 HD13 LEU 32 HD13 LEU 32 5.304 -12.911 8.272 239 HD21 LEU 32 HD21 LEU 32 5.176 -15.299 8.676 240 HD22 LEU 32 HD22 LEU 32 5.119 -16.342 7.261 241 HD23 LEU 32 HD23 LEU 32 3.627 -15.907 8.091 242 H ARG 33 HN ARG 33 2.423 -14.254 2.977 243 HA ARG 33 HA ARG 33 -0.275 -15.018 3.109 244 HB2 ARG 33 HB2 ARG 33 0.611 -13.088 1.798 245 HB3 ARG 33 HB1 ARG 33 1.286 -14.232 0.636 246 HG2 ARG 33 HG2 ARG 33 -0.961 -15.120 0.180 247 HG3 ARG 33 HG1 ARG 33 -1.650 -14.009 1.365 248 HD2 ARG 33 HD2 ARG 33 -0.128 -13.177 -1.120 249 HD3 ARG 33 HD1 ARG 33 -1.881 -13.152 -0.952 250 HE ARG 33 HE ARG 33 -0.814 -11.665 1.168 251 HH11 ARG 33 HH11 ARG 33 -0.714 -9.400 1.022 252 HH12 ARG 33 HH12 ARG 33 -0.746 -8.636 -0.533 253 HH21 ARG 33 HH21 ARG 33 -0.964 -11.619 -2.288 254 HH22 ARG 33 HH22 ARG 33 -0.888 -9.893 -2.406 255 H GLY 34 HN GLY 34 2.434 -16.363 1.245 256 HA2 GLY 34 HA2 GLY 34 1.831 -19.008 1.351 257 HA3 GLY 34 HA1 GLY 34 0.803 -18.425 0.044 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 12.662 -14.798 -0.255 2 H2 CYS 1 HT2 CYS 1 12.103 -16.039 0.763 3 H3 CYS 1 HT3 CYS 1 13.708 -15.494 0.884 4 HA CYS 1 HA CYS 1 12.495 -13.204 1.309 5 HB2 CYS 1 HB2 CYS 1 10.484 -13.579 2.655 6 HB3 CYS 1 HB1 CYS 1 10.270 -14.258 1.041 7 HA PRO 2 HA PRO 2 15.062 -14.053 4.860 8 HB2 PRO 2 HB2 PRO 2 14.612 -11.852 6.387 9 HB3 PRO 2 HB1 PRO 2 15.479 -11.762 4.840 10 HG2 PRO 2 HG2 PRO 2 12.603 -11.167 5.421 11 HG3 PRO 2 HG1 PRO 2 13.773 -10.224 4.475 12 HD2 PRO 2 HD2 PRO 2 11.951 -11.875 3.298 13 HD3 PRO 2 HD1 PRO 2 13.564 -11.594 2.604 14 H GLN 3 HN GLN 3 14.989 -14.800 7.019 15 HA GLN 3 HA GLN 3 12.334 -15.630 7.944 16 HB2 GLN 3 HB2 GLN 3 15.139 -16.356 8.815 17 HB3 GLN 3 HB1 GLN 3 13.682 -16.961 9.604 18 HG2 GLN 3 HG2 GLN 3 12.940 -18.028 7.569 19 HG3 GLN 3 HG1 GLN 3 14.236 -17.273 6.644 20 HE21 GLN 3 HE21 GLN 3 13.719 -20.203 7.051 21 HE22 GLN 3 HE22 GLN 3 15.137 -20.816 7.755 22 H VAL 4 HN VAL 4 14.708 -13.246 8.584 23 HA VAL 4 HA VAL 4 13.232 -12.367 10.994 24 HB VAL 4 HB VAL 4 15.372 -11.752 12.058 25 HG11 VAL 4 HG11 VAL 4 15.160 -14.657 11.209 26 HG12 VAL 4 HG12 VAL 4 14.372 -13.920 12.604 27 HG13 VAL 4 HG13 VAL 4 16.128 -14.070 12.561 28 HG21 VAL 4 HG21 VAL 4 17.457 -12.806 11.047 29 HG22 VAL 4 HG22 VAL 4 16.800 -11.437 10.152 30 HG23 VAL 4 HG23 VAL 4 16.510 -13.082 9.586 31 H CYS 5 HN CYS 5 13.585 -10.055 11.474 32 HA CYS 5 HA CYS 5 14.444 -8.478 9.127 33 HB2 CYS 5 HB2 CYS 5 11.887 -8.105 10.696 34 HB3 CYS 5 HB1 CYS 5 12.469 -7.004 9.469 35 HA PRO 6 HA PRO 6 16.517 -6.085 12.229 36 HB2 PRO 6 HB2 PRO 6 16.956 -3.757 10.924 37 HB3 PRO 6 HB1 PRO 6 17.762 -5.262 10.443 38 HG2 PRO 6 HG2 PRO 6 15.343 -3.958 9.257 39 HG3 PRO 6 HG1 PRO 6 16.756 -4.653 8.439 40 HD2 PRO 6 HD2 PRO 6 14.405 -6.016 8.710 41 HD3 PRO 6 HD1 PRO 6 15.981 -6.832 8.661 42 H ALA 7 HN ALA 7 16.294 -4.221 13.639 43 HA ALA 7 HA ALA 7 13.491 -3.387 13.961 44 HB1 ALA 7 HB1 ALA 7 14.443 -4.319 15.941 45 HB2 ALA 7 HB2 ALA 7 14.342 -2.579 16.201 46 HB3 ALA 7 HB3 ALA 7 15.889 -3.321 15.796 47 H ILE 8 HN ILE 8 15.909 -2.190 12.203 48 HA ILE 8 HA ILE 8 16.359 0.420 13.093 49 HB ILE 8 HB ILE 8 16.898 0.931 10.748 50 HG12 ILE 8 HG12 ILE 8 15.872 -1.860 10.154 51 HG13 ILE 8 HG11 ILE 8 14.999 -0.388 9.751 52 HG21 ILE 8 HG21 ILE 8 17.818 -1.763 11.777 53 HG22 ILE 8 HG22 ILE 8 18.579 -0.202 12.070 54 HG23 ILE 8 HG23 ILE 8 18.597 -0.900 10.452 55 HD11 ILE 8 HD11 ILE 8 16.196 -1.033 7.777 56 HD12 ILE 8 HD12 ILE 8 17.688 -1.271 8.687 57 HD13 ILE 8 HD13 ILE 8 17.046 0.355 8.456 58 H TYR 9 HN TYR 9 13.559 -1.025 11.660 59 HA TYR 9 HA TYR 9 11.465 -0.209 11.198 60 HB2 TYR 9 HB2 TYR 9 11.840 0.695 13.554 61 HB3 TYR 9 HB1 TYR 9 12.260 2.228 12.794 62 HD1 TYR 9 HD1 TYR 9 10.568 3.734 12.126 63 HD2 TYR 9 HD2 TYR 9 9.571 -0.365 12.932 64 HE1 TYR 9 HE1 TYR 9 8.157 4.277 11.909 65 HE2 TYR 9 HE2 TYR 9 7.161 0.177 12.714 66 HH TYR 9 HH TYR 9 5.677 2.007 12.790 67 H GLN 10 HN GLN 10 11.636 0.108 8.995 68 HA GLN 10 HA GLN 10 12.147 2.907 8.119 69 HB2 GLN 10 HB2 GLN 10 14.031 1.334 7.532 70 HB3 GLN 10 HB1 GLN 10 12.883 0.438 6.536 71 HG2 GLN 10 HG2 GLN 10 12.408 2.489 5.242 72 HG3 GLN 10 HG1 GLN 10 13.571 3.375 6.228 73 HE21 GLN 10 HE21 GLN 10 15.300 3.738 4.796 74 HE22 GLN 10 HE22 GLN 10 16.082 2.513 3.919 75 HA PRO 11 HA PRO 11 7.768 1.338 7.276 76 HB2 PRO 11 HB2 PRO 11 7.692 4.339 7.204 77 HB3 PRO 11 HB1 PRO 11 6.451 3.203 7.778 78 HG2 PRO 11 HG2 PRO 11 8.032 4.438 9.503 79 HG3 PRO 11 HG1 PRO 11 7.598 2.733 9.731 80 HD2 PRO 11 HD2 PRO 11 10.211 3.900 8.890 81 HD3 PRO 11 HD1 PRO 11 9.870 2.362 9.710 82 H VAL 12 HN VAL 12 7.035 0.849 5.398 83 HA VAL 12 HA VAL 12 7.727 2.491 3.027 84 HB VAL 12 HB VAL 12 7.644 -0.519 3.002 85 HG11 VAL 12 HG11 VAL 12 8.653 1.584 1.089 86 HG12 VAL 12 HG12 VAL 12 7.256 0.533 0.865 87 HG13 VAL 12 HG13 VAL 12 8.881 -0.150 0.874 88 HG21 VAL 12 HG21 VAL 12 9.950 1.373 3.471 89 HG22 VAL 12 HG22 VAL 12 10.201 -0.229 2.775 90 HG23 VAL 12 HG23 VAL 12 9.505 -0.066 4.382 91 H PHE 13 HN PHE 13 6.248 2.358 1.312 92 HA PHE 13 HA PHE 13 3.543 1.384 2.040 93 HB2 PHE 13 HB2 PHE 13 4.443 3.817 0.493 94 HB3 PHE 13 HB1 PHE 13 2.796 3.204 0.420 95 HD1 PHE 13 HD1 PHE 13 1.278 3.441 2.268 96 HD2 PHE 13 HD2 PHE 13 5.385 4.640 2.647 97 HE1 PHE 13 HE1 PHE 13 0.742 4.594 4.393 98 HE2 PHE 13 HE2 PHE 13 4.850 5.797 4.776 99 HZ PHE 13 HZ PHE 13 2.527 5.773 5.650 100 H ASP 14 HN ASP 14 2.635 -0.063 0.703 101 HA ASP 14 HA ASP 14 4.126 -0.946 -1.638 102 HB2 ASP 14 HB2 ASP 14 2.921 -2.456 0.072 103 HB3 ASP 14 HB1 ASP 14 1.441 -1.995 -0.764 104 H GLU 15 HN GLU 15 3.001 -1.334 -3.693 105 HA GLU 15 HA GLU 15 1.963 0.987 -4.829 106 HB2 GLU 15 HB2 GLU 15 2.975 -0.878 -6.101 107 HB3 GLU 15 HB1 GLU 15 1.564 -1.872 -5.749 108 HG2 GLU 15 HG2 GLU 15 1.351 -0.898 -7.976 109 HG3 GLU 15 HG1 GLU 15 0.129 -0.206 -6.919 110 H PHE 16 HN PHE 16 0.357 -1.502 -3.030 111 HA PHE 16 HA PHE 16 -2.306 -0.752 -3.924 112 HB2 PHE 16 HB2 PHE 16 -1.290 -2.743 -1.879 113 HB3 PHE 16 HB1 PHE 16 -2.997 -2.474 -2.229 114 HD1 PHE 16 HD1 PHE 16 -3.963 -3.107 -4.395 115 HD2 PHE 16 HD2 PHE 16 0.180 -3.813 -3.503 116 HE1 PHE 16 HE1 PHE 16 -3.801 -4.626 -6.348 117 HE2 PHE 16 HE2 PHE 16 0.342 -5.332 -5.455 118 HZ PHE 16 HZ PHE 16 -1.648 -5.739 -6.879 119 H GLY 17 HN GLY 17 -0.029 0.496 -1.964 120 HA2 GLY 17 HA2 GLY 17 -0.165 2.304 -0.521 121 HA3 GLY 17 HA1 GLY 17 -1.912 2.156 -0.578 122 H ARG 18 HN ARG 18 -0.179 -0.717 0.116 123 HA ARG 18 HA ARG 18 -1.370 -0.887 2.736 124 HB2 ARG 18 HB2 ARG 18 0.573 -2.672 1.268 125 HB3 ARG 18 HB1 ARG 18 -0.056 -3.034 2.872 126 HG2 ARG 18 HG2 ARG 18 -2.348 -3.001 2.010 127 HG3 ARG 18 HG1 ARG 18 -1.758 -2.563 0.407 128 HD2 ARG 18 HD2 ARG 18 -0.485 -4.676 0.298 129 HD3 ARG 18 HD1 ARG 18 -1.085 -5.118 1.895 130 HE ARG 18 HE ARG 18 -2.572 -5.201 -0.604 131 HH11 ARG 18 HH11 ARG 18 -4.640 -6.126 -0.454 132 HH12 ARG 18 HH12 ARG 18 -5.353 -6.396 1.101 133 HH21 ARG 18 HH21 ARG 18 -2.646 -5.121 2.856 134 HH22 ARG 18 HH22 ARG 18 -4.224 -5.826 2.975 135 H MET 19 HN MET 19 -0.336 -0.863 4.729 136 HA MET 19 HA MET 19 2.140 0.707 4.801 137 HB2 MET 19 HB2 MET 19 0.215 -0.078 7.001 138 HB3 MET 19 HB1 MET 19 1.600 0.998 7.186 139 HG2 MET 19 HG2 MET 19 0.641 2.553 5.547 140 HG3 MET 19 HG1 MET 19 -0.725 1.467 5.295 141 HE1 MET 19 HE1 MET 19 -2.400 4.379 7.166 142 HE2 MET 19 HE2 MET 19 -2.534 3.222 5.844 143 HE3 MET 19 HE3 MET 19 -1.193 4.363 5.873 144 H TYR 20 HN TYR 20 4.043 -0.144 5.207 145 HA TYR 20 HA TYR 20 4.255 -2.690 6.711 146 HB2 TYR 20 HB2 TYR 20 5.628 -1.917 4.133 147 HB3 TYR 20 HB1 TYR 20 6.266 -3.160 5.205 148 HD1 TYR 20 HD1 TYR 20 3.928 -2.447 2.581 149 HD2 TYR 20 HD2 TYR 20 4.687 -5.074 5.895 150 HE1 TYR 20 HE1 TYR 20 2.355 -4.112 1.625 151 HE2 TYR 20 HE2 TYR 20 3.107 -6.731 4.942 152 HH TYR 20 HH TYR 20 0.895 -6.320 3.105 153 H SER 21 HN SER 21 5.887 -2.751 8.197 154 HA SER 21 HA SER 21 6.990 -0.295 9.083 155 HB2 SER 21 HB2 SER 21 6.561 -2.136 10.622 156 HB3 SER 21 HB1 SER 21 7.757 -3.128 9.800 157 HG SER 21 HG SER 21 8.746 -2.169 11.547 158 H ASN 22 HN ASN 22 8.405 -3.011 7.230 159 HA ASN 22 HA ASN 22 10.400 -1.208 6.155 160 HB2 ASN 22 HB2 ASN 22 12.342 -2.493 6.915 161 HB3 ASN 22 HB1 ASN 22 11.457 -1.803 8.273 162 HD21 ASN 22 HD21 ASN 22 11.298 -3.290 9.942 163 HD22 ASN 22 HD22 ASN 22 11.119 -4.956 9.747 164 H SER 23 HN SER 23 11.948 -2.455 4.685 165 HA SER 23 HA SER 23 10.490 -3.803 2.692 166 HB2 SER 23 HB2 SER 23 12.655 -2.621 2.364 167 HB3 SER 23 HB1 SER 23 13.472 -3.924 3.207 168 HG SER 23 HG SER 23 12.205 -3.911 0.703 169 H CYS 24 HN CYS 24 12.601 -5.101 5.251 170 HA CYS 24 HA CYS 24 12.593 -7.772 4.404 171 HB2 CYS 24 HB2 CYS 24 14.002 -6.975 6.235 172 HB3 CYS 24 HB1 CYS 24 12.582 -6.687 7.219 173 H GLU 25 HN GLU 25 10.387 -5.987 6.478 174 HA GLU 25 HA GLU 25 8.606 -8.089 7.042 175 HB2 GLU 25 HB2 GLU 25 8.213 -5.101 6.989 176 HB3 GLU 25 HB1 GLU 25 6.954 -6.228 7.493 177 HG2 GLU 25 HG2 GLU 25 9.727 -6.194 8.706 178 HG3 GLU 25 HG1 GLU 25 8.368 -5.303 9.379 179 H MET 26 HN MET 26 8.797 -5.779 4.372 180 HA MET 26 HA MET 26 6.315 -6.360 3.160 181 HB2 MET 26 HB2 MET 26 8.934 -5.391 2.001 182 HB3 MET 26 HB1 MET 26 7.481 -5.548 1.047 183 HG2 MET 26 HG2 MET 26 6.303 -3.994 2.516 184 HG3 MET 26 HG1 MET 26 7.715 -3.888 3.554 185 HE1 MET 26 HE1 MET 26 7.028 -2.169 -0.598 186 HE2 MET 26 HE2 MET 26 6.104 -3.386 0.277 187 HE3 MET 26 HE3 MET 26 7.582 -3.848 -0.561 188 H GLN 27 HN GLN 27 9.522 -7.825 2.802 189 HA GLN 27 HA GLN 27 8.790 -9.676 0.760 190 HB2 GLN 27 HB2 GLN 27 11.057 -9.646 2.758 191 HB3 GLN 27 HB1 GLN 27 10.888 -10.858 1.487 192 HG2 GLN 27 HG2 GLN 27 11.019 -9.176 -0.237 193 HG3 GLN 27 HG1 GLN 27 10.950 -7.879 0.955 194 HE21 GLN 27 HE21 GLN 27 13.141 -8.463 -1.009 195 HE22 GLN 27 HE22 GLN 27 14.537 -8.696 -0.071 196 H ARG 28 HN ARG 28 8.877 -9.821 4.289 197 HA ARG 28 HA ARG 28 8.407 -12.568 4.629 198 HB2 ARG 28 HB2 ARG 28 9.072 -11.007 6.434 199 HB3 ARG 28 HB1 ARG 28 7.465 -10.293 6.385 200 HG2 ARG 28 HG2 ARG 28 6.439 -12.396 7.015 201 HG3 ARG 28 HG1 ARG 28 7.987 -13.233 6.901 202 HD2 ARG 28 HD2 ARG 28 7.442 -10.945 8.807 203 HD3 ARG 28 HD1 ARG 28 7.324 -12.644 9.254 204 HE ARG 28 HE ARG 28 9.849 -12.262 8.117 205 HH11 ARG 28 HH11 ARG 28 11.659 -11.954 9.458 206 HH12 ARG 28 HH12 ARG 28 11.440 -11.386 11.079 207 HH21 ARG 28 HH21 ARG 28 7.987 -11.189 10.829 208 HH22 ARG 28 HH22 ARG 28 9.363 -10.953 11.855 209 H ALA 29 HN ALA 29 6.111 -9.861 4.513 210 HA ALA 29 HA ALA 29 3.772 -11.365 4.904 211 HB1 ALA 29 HB1 ALA 29 4.272 -8.748 3.486 212 HB2 ALA 29 HB2 ALA 29 3.610 -9.005 5.100 213 HB3 ALA 29 HB3 ALA 29 2.655 -9.426 3.678 214 H ARG 30 HN ARG 30 5.447 -10.464 1.901 215 HA ARG 30 HA ARG 30 3.561 -11.647 0.141 216 HB2 ARG 30 HB2 ARG 30 6.500 -11.007 -0.176 217 HB3 ARG 30 HB1 ARG 30 5.491 -11.618 -1.488 218 HG2 ARG 30 HG2 ARG 30 4.006 -9.699 -1.306 219 HG3 ARG 30 HG1 ARG 30 4.883 -9.113 0.107 220 HD2 ARG 30 HD2 ARG 30 5.615 -7.883 -1.871 221 HD3 ARG 30 HD1 ARG 30 6.932 -8.895 -1.283 222 HE ARG 30 HE ARG 30 5.405 -10.282 -3.250 223 HH11 ARG 30 HH11 ARG 30 6.330 -10.519 -5.312 224 HH12 ARG 30 HH12 ARG 30 7.641 -9.492 -5.790 225 HH21 ARG 30 HH21 ARG 30 7.717 -7.748 -2.795 226 HH22 ARG 30 HH22 ARG 30 8.426 -7.924 -4.365 227 H CYS 31 HN CYS 31 6.422 -12.827 1.805 228 HA CYS 31 HA CYS 31 6.672 -15.326 0.525 229 HB2 CYS 31 HB2 CYS 31 8.251 -14.072 2.173 230 HB3 CYS 31 HB1 CYS 31 7.343 -14.900 3.429 231 H LEU 32 HN LEU 32 4.934 -14.350 3.469 232 HA LEU 32 HA LEU 32 3.974 -16.917 4.159 233 HB2 LEU 32 HB2 LEU 32 2.911 -14.151 4.762 234 HB3 LEU 32 HB1 LEU 32 2.270 -15.623 5.488 235 HG LEU 32 HG LEU 32 5.187 -14.799 5.648 236 HD11 LEU 32 HD11 LEU 32 3.604 -13.192 6.782 237 HD12 LEU 32 HD12 LEU 32 4.739 -13.982 7.877 238 HD13 LEU 32 HD13 LEU 32 3.064 -14.531 7.796 239 HD21 LEU 32 HD21 LEU 32 3.540 -17.053 6.788 240 HD22 LEU 32 HD22 LEU 32 4.896 -16.433 7.726 241 HD23 LEU 32 HD23 LEU 32 5.170 -17.090 6.117 242 H ARG 33 HN ARG 33 2.653 -14.345 2.125 243 HA ARG 33 HA ARG 33 0.117 -15.548 1.692 244 HB2 ARG 33 HB2 ARG 33 0.679 -13.141 1.253 245 HB3 ARG 33 HB1 ARG 33 1.595 -13.665 -0.159 246 HG2 ARG 33 HG2 ARG 33 -0.476 -14.769 -1.033 247 HG3 ARG 33 HG1 ARG 33 -1.367 -14.088 0.329 248 HD2 ARG 33 HD2 ARG 33 -1.671 -12.607 -1.550 249 HD3 ARG 33 HD1 ARG 33 -0.596 -11.807 -0.408 250 HE ARG 33 HE ARG 33 1.124 -11.980 -1.971 251 HH11 ARG 33 HH11 ARG 33 1.925 -12.474 -4.039 252 HH12 ARG 33 HH12 ARG 33 1.009 -13.497 -5.094 253 HH21 ARG 33 HH21 ARG 33 -1.582 -13.956 -2.835 254 HH22 ARG 33 HH22 ARG 33 -0.977 -14.335 -4.413 255 H GLY 34 HN GLY 34 -0.508 -17.127 0.344 256 HA2 GLY 34 HA2 GLY 34 1.200 -18.966 -0.793 257 HA3 GLY 34 HA1 GLY 34 -0.457 -18.711 -1.333 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 12.662 -14.911 -0.200 2 H2 CYS 1 HT2 CYS 1 12.156 -16.121 0.880 3 H3 CYS 1 HT3 CYS 1 13.751 -15.540 0.939 4 HA CYS 1 HA CYS 1 12.496 -13.262 1.301 5 HB2 CYS 1 HB2 CYS 1 10.527 -13.614 2.701 6 HB3 CYS 1 HB1 CYS 1 10.293 -14.397 1.139 7 HA PRO 2 HA PRO 2 15.176 -13.910 4.807 8 HB2 PRO 2 HB2 PRO 2 14.735 -11.654 6.255 9 HB3 PRO 2 HB1 PRO 2 15.553 -11.616 4.679 10 HG2 PRO 2 HG2 PRO 2 12.693 -11.027 5.330 11 HG3 PRO 2 HG1 PRO 2 13.815 -10.123 4.296 12 HD2 PRO 2 HD2 PRO 2 11.968 -11.859 3.275 13 HD3 PRO 2 HD1 PRO 2 13.542 -11.573 2.498 14 H GLN 3 HN GLN 3 15.176 -14.630 6.958 15 HA GLN 3 HA GLN 3 12.546 -15.379 8.033 16 HB2 GLN 3 HB2 GLN 3 15.339 -16.176 8.897 17 HB3 GLN 3 HB1 GLN 3 13.836 -16.844 9.529 18 HG2 GLN 3 HG2 GLN 3 14.736 -16.988 6.636 19 HG3 GLN 3 HG1 GLN 3 14.825 -18.312 7.796 20 HE21 GLN 3 HE21 GLN 3 12.983 -17.314 5.267 21 HE22 GLN 3 HE22 GLN 3 11.468 -17.909 5.750 22 H VAL 4 HN VAL 4 14.854 -12.950 8.404 23 HA VAL 4 HA VAL 4 13.700 -12.158 11.014 24 HB VAL 4 HB VAL 4 15.927 -11.393 11.739 25 HG11 VAL 4 HG11 VAL 4 16.020 -14.298 10.880 26 HG12 VAL 4 HG12 VAL 4 15.064 -13.716 12.244 27 HG13 VAL 4 HG13 VAL 4 16.821 -13.569 12.274 28 HG21 VAL 4 HG21 VAL 4 16.988 -10.980 9.608 29 HG22 VAL 4 HG22 VAL 4 16.783 -12.664 9.124 30 HG23 VAL 4 HG23 VAL 4 17.908 -12.250 10.417 31 H CYS 5 HN CYS 5 13.902 -9.849 11.447 32 HA CYS 5 HA CYS 5 14.310 -8.184 9.035 33 HB2 CYS 5 HB2 CYS 5 11.983 -7.996 10.962 34 HB3 CYS 5 HB1 CYS 5 12.280 -6.903 9.628 35 HA PRO 6 HA PRO 6 16.656 -5.692 11.845 36 HB2 PRO 6 HB2 PRO 6 16.506 -3.232 10.650 37 HB3 PRO 6 HB1 PRO 6 17.474 -4.567 9.992 38 HG2 PRO 6 HG2 PRO 6 14.746 -3.637 9.194 39 HG3 PRO 6 HG1 PRO 6 16.116 -4.112 8.171 40 HD2 PRO 6 HD2 PRO 6 14.045 -5.798 8.680 41 HD3 PRO 6 HD1 PRO 6 15.701 -6.389 8.437 42 H ALA 7 HN ALA 7 16.449 -4.275 13.576 43 HA ALA 7 HA ALA 7 13.707 -3.617 14.367 44 HB1 ALA 7 HB1 ALA 7 14.865 -2.996 16.541 45 HB2 ALA 7 HB2 ALA 7 16.355 -3.609 15.825 46 HB3 ALA 7 HB3 ALA 7 14.985 -4.692 16.074 47 H ILE 8 HN ILE 8 15.990 -2.163 12.560 48 HA ILE 8 HA ILE 8 16.279 0.422 13.621 49 HB ILE 8 HB ILE 8 16.278 -0.565 10.760 50 HG12 ILE 8 HG12 ILE 8 18.572 0.302 12.540 51 HG13 ILE 8 HG11 ILE 8 18.042 -1.377 12.407 52 HG21 ILE 8 HG21 ILE 8 17.542 1.627 10.376 53 HG22 ILE 8 HG22 ILE 8 16.916 2.149 11.940 54 HG23 ILE 8 HG23 ILE 8 15.802 1.775 10.625 55 HD11 ILE 8 HD11 ILE 8 19.953 -0.716 10.862 56 HD12 ILE 8 HD12 ILE 8 18.797 0.300 10.003 57 HD13 ILE 8 HD13 ILE 8 18.558 -1.446 10.067 58 H TYR 9 HN TYR 9 13.828 -0.957 11.470 59 HA TYR 9 HA TYR 9 11.610 -0.361 11.213 60 HB2 TYR 9 HB2 TYR 9 12.010 0.718 13.606 61 HB3 TYR 9 HB1 TYR 9 11.971 2.229 12.701 62 HD1 TYR 9 HD1 TYR 9 9.906 3.199 12.106 63 HD2 TYR 9 HD2 TYR 9 10.060 -0.946 13.226 64 HE1 TYR 9 HE1 TYR 9 7.429 3.095 12.062 65 HE2 TYR 9 HE2 TYR 9 7.582 -1.050 13.181 66 HH TYR 9 HH TYR 9 5.664 0.741 13.479 67 H GLN 10 HN GLN 10 11.714 -0.022 9.047 68 HA GLN 10 HA GLN 10 12.221 2.757 8.128 69 HB2 GLN 10 HB2 GLN 10 12.987 0.193 6.710 70 HB3 GLN 10 HB1 GLN 10 13.192 1.825 6.072 71 HG2 GLN 10 HG2 GLN 10 14.672 2.383 7.965 72 HG3 GLN 10 HG1 GLN 10 14.472 0.752 8.603 73 HE21 GLN 10 HE21 GLN 10 16.525 -0.173 8.252 74 HE22 GLN 10 HE22 GLN 10 17.290 -0.233 6.738 75 HA PRO 11 HA PRO 11 7.825 1.254 7.323 76 HB2 PRO 11 HB2 PRO 11 7.783 4.255 7.196 77 HB3 PRO 11 HB1 PRO 11 6.537 3.145 7.806 78 HG2 PRO 11 HG2 PRO 11 8.147 4.409 9.488 79 HG3 PRO 11 HG1 PRO 11 7.690 2.717 9.766 80 HD2 PRO 11 HD2 PRO 11 10.313 3.823 8.872 81 HD3 PRO 11 HD1 PRO 11 9.959 2.317 9.742 82 H VAL 12 HN VAL 12 7.227 0.684 5.418 83 HA VAL 12 HA VAL 12 8.058 2.255 3.041 84 HB VAL 12 HB VAL 12 7.652 -0.727 2.967 85 HG11 VAL 12 HG11 VAL 12 9.353 1.222 1.400 86 HG12 VAL 12 HG12 VAL 12 7.850 0.478 0.852 87 HG13 VAL 12 HG13 VAL 12 9.282 -0.518 1.117 88 HG21 VAL 12 HG21 VAL 12 10.125 -0.945 3.323 89 HG22 VAL 12 HG22 VAL 12 9.259 -0.406 4.761 90 HG23 VAL 12 HG23 VAL 12 10.165 0.755 3.791 91 H PHE 13 HN PHE 13 6.620 2.262 1.289 92 HA PHE 13 HA PHE 13 3.813 1.540 1.933 93 HB2 PHE 13 HB2 PHE 13 5.011 3.886 0.460 94 HB3 PHE 13 HB1 PHE 13 3.329 3.421 0.236 95 HD1 PHE 13 HD1 PHE 13 1.677 3.888 1.885 96 HD2 PHE 13 HD2 PHE 13 5.835 4.513 2.760 97 HE1 PHE 13 HE1 PHE 13 1.056 5.089 3.959 98 HE2 PHE 13 HE2 PHE 13 5.215 5.716 4.839 99 HZ PHE 13 HZ PHE 13 2.825 6.005 5.439 100 H ASP 14 HN ASP 14 2.667 0.379 0.445 101 HA ASP 14 HA ASP 14 4.148 -0.527 -1.961 102 HB2 ASP 14 HB2 ASP 14 1.921 -1.747 -0.339 103 HB3 ASP 14 HB1 ASP 14 2.266 -2.297 -1.976 104 H GLU 15 HN GLU 15 3.084 -0.660 -3.960 105 HA GLU 15 HA GLU 15 1.679 1.622 -4.733 106 HB2 GLU 15 HB2 GLU 15 1.356 0.498 -6.873 107 HB3 GLU 15 HB1 GLU 15 2.984 0.193 -6.269 108 HG2 GLU 15 HG2 GLU 15 2.164 -1.980 -5.320 109 HG3 GLU 15 HG1 GLU 15 0.612 -1.687 -6.103 110 H PHE 16 HN PHE 16 0.474 -0.787 -2.840 111 HA PHE 16 HA PHE 16 -2.260 -0.664 -3.932 112 HB2 PHE 16 HB2 PHE 16 -0.972 -2.415 -1.823 113 HB3 PHE 16 HB1 PHE 16 -2.690 -2.440 -2.211 114 HD1 PHE 16 HD1 PHE 16 0.679 -3.321 -3.355 115 HD2 PHE 16 HD2 PHE 16 -3.481 -3.217 -4.415 116 HE1 PHE 16 HE1 PHE 16 1.129 -4.839 -5.264 117 HE2 PHE 16 HE2 PHE 16 -3.032 -4.736 -6.324 118 HZ PHE 16 HZ PHE 16 -0.728 -5.546 -6.749 119 H GLY 17 HN GLY 17 -0.295 1.037 -1.983 120 HA2 GLY 17 HA2 GLY 17 -0.797 2.812 -0.574 121 HA3 GLY 17 HA1 GLY 17 -2.484 2.320 -0.624 122 H ARG 18 HN ARG 18 -0.613 -0.344 0.009 123 HA ARG 18 HA ARG 18 -1.510 -0.470 2.748 124 HB2 ARG 18 HB2 ARG 18 0.135 -2.325 1.032 125 HB3 ARG 18 HB1 ARG 18 -0.245 -2.667 2.719 126 HG2 ARG 18 HG2 ARG 18 -2.636 -2.570 2.230 127 HG3 ARG 18 HG1 ARG 18 -2.301 -2.115 0.559 128 HD2 ARG 18 HD2 ARG 18 -2.784 -4.507 0.670 129 HD3 ARG 18 HD1 ARG 18 -1.093 -4.263 0.242 130 HE ARG 18 HE ARG 18 -1.382 -4.521 3.066 131 HH11 ARG 18 HH11 ARG 18 -0.717 -6.477 4.009 132 HH12 ARG 18 HH12 ARG 18 -0.528 -7.888 3.022 133 HH21 ARG 18 HH21 ARG 18 -1.448 -6.284 0.089 134 HH22 ARG 18 HH22 ARG 18 -0.941 -7.779 0.803 135 H MET 19 HN MET 19 -0.229 -0.565 4.590 136 HA MET 19 HA MET 19 2.361 0.835 4.368 137 HB2 MET 19 HB2 MET 19 0.434 0.487 6.672 138 HB3 MET 19 HB1 MET 19 2.004 1.277 6.806 139 HG2 MET 19 HG2 MET 19 1.360 2.975 5.212 140 HG3 MET 19 HG1 MET 19 -0.140 2.127 4.843 141 HE1 MET 19 HE1 MET 19 2.033 3.907 7.244 142 HE2 MET 19 HE2 MET 19 1.536 2.804 8.523 143 HE3 MET 19 HE3 MET 19 1.015 4.486 8.569 144 H TYR 20 HN TYR 20 4.210 -0.060 5.010 145 HA TYR 20 HA TYR 20 4.169 -2.617 6.512 146 HB2 TYR 20 HB2 TYR 20 5.792 -1.927 4.055 147 HB3 TYR 20 HB1 TYR 20 6.168 -3.274 5.126 148 HD1 TYR 20 HD1 TYR 20 4.644 -5.199 5.321 149 HD2 TYR 20 HD2 TYR 20 3.845 -1.963 2.611 150 HE1 TYR 20 HE1 TYR 20 2.956 -6.593 4.152 151 HE2 TYR 20 HE2 TYR 20 2.160 -3.355 1.446 152 HH TYR 20 HH TYR 20 1.538 -5.618 1.139 153 H SER 21 HN SER 21 5.719 -2.777 8.094 154 HA SER 21 HA SER 21 6.930 -0.391 9.030 155 HB2 SER 21 HB2 SER 21 6.335 -2.216 10.546 156 HB3 SER 21 HB1 SER 21 7.510 -3.266 9.766 157 HG SER 21 HG SER 21 8.828 -2.451 11.187 158 H ASN 22 HN ASN 22 8.291 -3.231 7.325 159 HA ASN 22 HA ASN 22 10.499 -1.538 6.389 160 HB2 ASN 22 HB2 ASN 22 11.420 -4.188 7.382 161 HB3 ASN 22 HB1 ASN 22 12.214 -2.618 7.459 162 HD21 ASN 22 HD21 ASN 22 10.914 -4.965 9.390 163 HD22 ASN 22 HD22 ASN 22 10.473 -4.024 10.728 164 H SER 23 HN SER 23 11.867 -2.731 4.778 165 HA SER 23 HA SER 23 10.222 -3.927 2.780 166 HB2 SER 23 HB2 SER 23 13.229 -3.731 3.067 167 HB3 SER 23 HB1 SER 23 12.427 -4.396 1.648 168 HG SER 23 HG SER 23 12.377 -2.373 1.056 169 H CYS 24 HN CYS 24 12.119 -5.174 5.433 170 HA CYS 24 HA CYS 24 12.385 -7.855 4.549 171 HB2 CYS 24 HB2 CYS 24 13.604 -6.971 6.489 172 HB3 CYS 24 HB1 CYS 24 12.085 -6.740 7.343 173 H GLU 25 HN GLU 25 10.003 -6.154 6.503 174 HA GLU 25 HA GLU 25 8.240 -8.301 6.938 175 HB2 GLU 25 HB2 GLU 25 7.774 -5.319 6.849 176 HB3 GLU 25 HB1 GLU 25 6.530 -6.481 7.313 177 HG2 GLU 25 HG2 GLU 25 9.246 -6.334 8.643 178 HG3 GLU 25 HG1 GLU 25 7.821 -5.498 9.251 179 H MET 26 HN MET 26 8.550 -5.975 4.307 180 HA MET 26 HA MET 26 6.158 -6.545 2.939 181 HB2 MET 26 HB2 MET 26 8.858 -5.615 1.955 182 HB3 MET 26 HB1 MET 26 7.462 -5.740 0.913 183 HG2 MET 26 HG2 MET 26 6.230 -4.153 2.278 184 HG3 MET 26 HG1 MET 26 7.542 -4.112 3.456 185 HE1 MET 26 HE1 MET 26 8.114 -3.953 -0.702 186 HE2 MET 26 HE2 MET 26 7.252 -2.417 -0.718 187 HE3 MET 26 HE3 MET 26 6.481 -3.844 -0.030 188 H GLN 27 HN GLN 27 9.392 -7.994 2.721 189 HA GLN 27 HA GLN 27 8.706 -9.877 0.681 190 HB2 GLN 27 HB2 GLN 27 10.973 -9.770 2.678 191 HB3 GLN 27 HB1 GLN 27 10.832 -11.003 1.423 192 HG2 GLN 27 HG2 GLN 27 10.924 -9.339 -0.322 193 HG3 GLN 27 HG1 GLN 27 10.830 -8.029 0.854 194 HE21 GLN 27 HE21 GLN 27 13.032 -8.586 -1.103 195 HE22 GLN 27 HE22 GLN 27 14.432 -8.781 -0.165 196 H ARG 28 HN ARG 28 8.820 -9.957 4.208 197 HA ARG 28 HA ARG 28 8.373 -12.704 4.601 198 HB2 ARG 28 HB2 ARG 28 9.055 -11.086 6.364 199 HB3 ARG 28 HB1 ARG 28 7.428 -10.419 6.340 200 HG2 ARG 28 HG2 ARG 28 6.476 -12.540 7.019 201 HG3 ARG 28 HG1 ARG 28 8.044 -13.337 6.880 202 HD2 ARG 28 HD2 ARG 28 7.463 -11.046 8.777 203 HD3 ARG 28 HD1 ARG 28 7.428 -12.745 9.239 204 HE ARG 28 HE ARG 28 9.905 -12.268 8.033 205 HH11 ARG 28 HH11 ARG 28 11.734 -11.867 9.319 206 HH12 ARG 28 HH12 ARG 28 11.537 -11.296 10.942 207 HH21 ARG 28 HH21 ARG 28 8.073 -11.257 10.789 208 HH22 ARG 28 HH22 ARG 28 9.465 -10.950 11.775 209 H ALA 29 HN ALA 29 6.084 -9.999 4.414 210 HA ALA 29 HA ALA 29 3.737 -11.465 4.887 211 HB1 ALA 29 HB1 ALA 29 3.891 -8.970 4.841 212 HB2 ALA 29 HB2 ALA 29 2.550 -9.602 3.886 213 HB3 ALA 29 HB3 ALA 29 4.020 -9.049 3.084 214 H ARG 30 HN ARG 30 5.417 -10.725 1.848 215 HA ARG 30 HA ARG 30 3.539 -12.036 0.158 216 HB2 ARG 30 HB2 ARG 30 6.458 -11.327 -0.215 217 HB3 ARG 30 HB1 ARG 30 5.458 -12.032 -1.486 218 HG2 ARG 30 HG2 ARG 30 3.918 -10.149 -1.387 219 HG3 ARG 30 HG1 ARG 30 4.790 -9.467 -0.014 220 HD2 ARG 30 HD2 ARG 30 5.472 -8.316 -2.054 221 HD3 ARG 30 HD1 ARG 30 6.820 -9.268 -1.438 222 HE ARG 30 HE ARG 30 5.315 -10.789 -3.314 223 HH11 ARG 30 HH11 ARG 30 6.206 -11.084 -5.383 224 HH12 ARG 30 HH12 ARG 30 7.463 -10.029 -5.937 225 HH21 ARG 30 HH21 ARG 30 7.528 -8.146 -3.027 226 HH22 ARG 30 HH22 ARG 30 8.211 -8.365 -4.603 227 H CYS 31 HN CYS 31 6.429 -13.038 1.883 228 HA CYS 31 HA CYS 31 6.755 -15.596 0.736 229 HB2 CYS 31 HB2 CYS 31 8.298 -14.210 2.317 230 HB3 CYS 31 HB1 CYS 31 7.416 -15.005 3.613 231 H LEU 32 HN LEU 32 4.994 -14.511 3.629 232 HA LEU 32 HA LEU 32 4.105 -17.065 4.454 233 HB2 LEU 32 HB2 LEU 32 2.966 -14.301 4.913 234 HB3 LEU 32 HB1 LEU 32 2.361 -15.751 5.711 235 HG LEU 32 HG LEU 32 5.253 -14.841 5.834 236 HD11 LEU 32 HD11 LEU 32 3.102 -14.514 7.946 237 HD12 LEU 32 HD12 LEU 32 3.643 -13.217 6.880 238 HD13 LEU 32 HD13 LEU 32 4.768 -13.940 8.030 239 HD21 LEU 32 HD21 LEU 32 5.301 -17.101 6.421 240 HD22 LEU 32 HD22 LEU 32 3.666 -17.082 7.078 241 HD23 LEU 32 HD23 LEU 32 4.995 -16.375 7.994 242 H ARG 33 HN ARG 33 2.706 -14.632 2.300 243 HA ARG 33 HA ARG 33 0.193 -15.851 1.929 244 HB2 ARG 33 HB2 ARG 33 0.697 -13.540 1.227 245 HB3 ARG 33 HB1 ARG 33 1.775 -14.160 -0.023 246 HG2 ARG 33 HG2 ARG 33 -0.066 -15.290 -1.131 247 HG3 ARG 33 HG1 ARG 33 -1.167 -14.862 0.179 248 HD2 ARG 33 HD2 ARG 33 -1.497 -13.329 -1.690 249 HD3 ARG 33 HD1 ARG 33 -0.794 -12.457 -0.331 250 HE ARG 33 HE ARG 33 1.259 -13.424 -2.048 251 HH11 ARG 33 HH11 ARG 33 2.297 -11.916 -3.393 252 HH12 ARG 33 HH12 ARG 33 1.540 -10.394 -3.726 253 HH21 ARG 33 HH21 ARG 33 -1.261 -11.065 -1.796 254 HH22 ARG 33 HH22 ARG 33 -0.475 -9.912 -2.822 255 H GLY 34 HN GLY 34 3.257 -16.200 0.171 256 HA2 GLY 34 HA2 GLY 34 3.921 -17.701 -1.455 257 HA3 GLY 34 HA1 GLY 34 3.089 -18.871 -0.432
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