NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655501 | 6vy7 | 30728 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 4.356 5.873 -4.539 2 H2 MET 1 HT2 MET 1 3.151 7.055 -4.540 3 H3 MET 1 HT3 MET 1 2.734 5.425 -4.403 4 HA MET 1 HA MET 1 4.287 6.980 -2.427 5 HB2 MET 1 HB2 MET 1 1.945 7.658 -2.459 6 HB3 MET 1 HB1 MET 1 1.438 5.977 -2.350 7 HG2 MET 1 HG2 MET 1 1.277 7.164 -0.217 8 HG3 MET 1 HG1 MET 1 2.362 5.781 -0.154 9 HE1 MET 1 HE1 MET 1 4.062 8.177 2.370 10 HE2 MET 1 HE2 MET 1 3.455 6.547 2.073 11 HE3 MET 1 HE3 MET 1 2.335 7.909 2.128 12 H CYS 2 HN CYS 2 5.830 5.581 -1.897 13 HA CYS 2 HA CYS 2 5.127 2.834 -1.240 14 HB2 CYS 2 HB2 CYS 2 7.753 4.281 -1.406 15 HB3 CYS 2 HB1 CYS 2 7.602 2.658 -0.755 16 H CYS 3 HN CYS 3 4.903 2.081 0.740 17 HA CYS 3 HA CYS 3 5.266 3.960 2.964 18 HB2 CYS 3 HB2 CYS 3 3.388 1.649 2.560 19 HB3 CYS 3 HB1 CYS 3 3.611 2.425 4.121 20 H GLY 4 HN GLY 4 7.331 2.068 1.809 21 HA2 GLY 4 HA2 GLY 4 8.703 1.434 4.050 22 HA3 GLY 4 HA1 GLY 4 7.654 0.050 3.823 23 H GLU 5 HN GLU 5 10.566 1.510 2.989 24 HA GLU 5 HA GLU 5 11.064 0.211 0.518 25 HB2 GLU 5 HB2 GLU 5 13.329 0.939 0.776 26 HB3 GLU 5 HB1 GLU 5 12.287 2.220 1.383 27 HG2 GLU 5 HG2 GLU 5 12.696 1.410 3.679 28 HG3 GLU 5 HG1 GLU 5 13.816 0.220 3.025 29 H GLY 6 HN GLY 6 12.018 -1.701 0.064 30 HA2 GLY 6 HA2 GLY 6 12.874 -3.814 0.378 31 HA3 GLY 6 HA1 GLY 6 13.330 -3.332 2.005 32 H SER 7 HN SER 7 10.084 -2.815 1.183 33 HA SER 7 HA SER 7 9.285 -5.209 2.673 34 HB2 SER 7 HB2 SER 7 8.203 -2.404 2.948 35 HB3 SER 7 HB1 SER 7 7.619 -3.822 3.825 36 HG SER 7 HG SER 7 9.789 -4.006 4.677 37 H SER 8 HN SER 8 7.115 -5.945 2.275 38 HA SER 8 HA SER 8 6.115 -5.166 -0.382 39 HB2 SER 8 HB2 SER 8 7.104 -7.407 -0.382 40 HB3 SER 8 HB1 SER 8 6.061 -7.882 0.955 41 HG SER 8 HG SER 8 4.321 -7.150 -0.663 42 H CYS 9 HN CYS 9 5.308 -3.854 1.917 43 HA CYS 9 HA CYS 9 2.699 -4.939 2.639 44 HB2 CYS 9 HB2 CYS 9 3.022 -2.786 4.214 45 HB3 CYS 9 HB1 CYS 9 3.670 -4.377 4.610 46 HA PRO 10 HA PRO 10 0.987 -1.358 0.507 47 HB2 PRO 10 HB2 PRO 10 -1.057 -2.473 -0.711 48 HB3 PRO 10 HB1 PRO 10 0.572 -2.640 -1.367 49 HG2 PRO 10 HG2 PRO 10 -1.061 -4.607 0.162 50 HG3 PRO 10 HG1 PRO 10 0.047 -4.876 -1.193 51 HD2 PRO 10 HD2 PRO 10 0.658 -5.227 1.520 52 HD3 PRO 10 HD1 PRO 10 1.828 -5.118 0.197 53 H LYS 11 HN LYS 11 -0.717 -0.134 1.176 54 HA LYS 11 HA LYS 11 -2.189 -1.244 3.463 55 HB2 LYS 11 HB2 LYS 11 -1.453 1.611 2.806 56 HB3 LYS 11 HB1 LYS 11 -2.543 1.158 4.102 57 HG2 LYS 11 HG2 LYS 11 -0.739 -0.068 5.202 58 HG3 LYS 11 HG1 LYS 11 0.351 0.375 3.890 59 HD2 LYS 11 HD2 LYS 11 0.596 1.820 5.889 60 HD3 LYS 11 HD1 LYS 11 0.155 2.709 4.433 61 HE2 LYS 11 HE2 LYS 11 -2.204 2.687 5.171 62 HE3 LYS 11 HE1 LYS 11 -1.714 1.873 6.655 63 HZ1 LYS 11 HZ1 LYS 11 -1.959 4.220 7.025 64 HZ2 LYS 11 HZ2 LYS 11 -0.882 4.583 5.776 65 HZ3 LYS 11 HZ3 LYS 11 -0.326 3.806 7.171 66 H TYR 12 HN TYR 12 -4.369 -1.247 3.430 67 HA TYR 12 HA TYR 12 -5.658 0.102 1.159 68 HB2 TYR 12 HB2 TYR 12 -6.270 -2.571 2.374 69 HB3 TYR 12 HB1 TYR 12 -7.466 -1.687 1.440 70 HD1 TYR 12 HD1 TYR 12 -7.707 -2.410 -0.695 71 HD2 TYR 12 HD2 TYR 12 -3.841 -2.550 1.056 72 HE1 TYR 12 HE1 TYR 12 -6.809 -3.368 -2.768 73 HE2 TYR 12 HE2 TYR 12 -2.929 -3.517 -1.007 74 HH TYR 12 HH TYR 12 -4.724 -3.607 -3.933 75 H PHE 13 HN PHE 13 -7.433 1.247 1.530 76 HA PHE 13 HA PHE 13 -8.350 1.495 4.314 77 HB2 PHE 13 HB2 PHE 13 -7.476 3.561 3.170 78 HB3 PHE 13 HB1 PHE 13 -8.789 3.417 2.014 79 HD1 PHE 13 HD1 PHE 13 -11.100 3.781 2.720 80 HD2 PHE 13 HD2 PHE 13 -7.821 4.382 5.352 81 HE1 PHE 13 HE1 PHE 13 -12.550 5.087 4.217 82 HE2 PHE 13 HE2 PHE 13 -9.259 5.683 6.860 83 HZ PHE 13 HZ PHE 13 -11.631 6.038 6.296 84 H ARG 14 HN ARG 14 -10.073 0.277 4.633 85 HA ARG 14 HA ARG 14 -11.964 -0.935 4.302 86 HB2 ARG 14 HB2 ARG 14 -12.378 1.079 2.095 87 HB3 ARG 14 HB1 ARG 14 -13.548 -0.167 2.480 88 HG2 ARG 14 HG2 ARG 14 -13.851 0.761 4.705 89 HG3 ARG 14 HG1 ARG 14 -12.585 1.961 4.401 90 HD2 ARG 14 HD2 ARG 14 -14.760 2.997 4.106 91 HD3 ARG 14 HD1 ARG 14 -13.944 2.880 2.548 92 HE ARG 14 HE ARG 14 -16.082 1.034 3.413 93 HH11 ARG 14 HH11 ARG 14 -14.472 2.933 0.939 94 HH12 ARG 14 HH12 ARG 14 -15.577 2.459 -0.312 95 HH21 ARG 14 HH21 ARG 14 -17.533 0.425 1.770 96 HH22 ARG 14 HH22 ARG 14 -17.319 1.037 0.159 97 H ASN 15 HN ASN 15 -11.380 -0.168 0.914 98 HA ASN 15 HA ASN 15 -10.193 -2.766 0.417 99 HB2 ASN 15 HB2 ASN 15 -12.836 -1.888 -0.686 100 HB3 ASN 15 HB1 ASN 15 -11.803 -2.960 -1.613 101 HD21 ASN 15 HD21 ASN 15 -10.772 -4.379 0.657 102 HD22 ASN 15 HD22 ASN 15 -12.055 -5.366 1.257 103 H SER 16 HN SER 16 -9.660 0.234 0.265 104 HA SER 16 HA SER 16 -8.984 0.390 -2.604 105 HB2 SER 16 HB2 SER 16 -9.278 2.677 -0.642 106 HB3 SER 16 HB1 SER 16 -9.117 2.795 -2.394 107 HG SER 16 HG SER 16 -11.140 1.735 -2.570 108 H GLN 17 HN GLN 17 -6.871 0.079 -3.008 109 HA GLN 17 HA GLN 17 -4.912 0.057 -0.959 110 HB2 GLN 17 HB2 GLN 17 -4.697 -1.198 -3.111 111 HB3 GLN 17 HB1 GLN 17 -4.415 0.338 -3.929 112 HG2 GLN 17 HG2 GLN 17 -2.492 0.688 -2.349 113 HG3 GLN 17 HG1 GLN 17 -2.702 -0.979 -1.842 114 HE21 GLN 17 HE21 GLN 17 -2.236 -2.655 -3.367 115 HE22 GLN 17 HE22 GLN 17 -1.231 -2.339 -4.731 116 H ILE 18 HN ILE 18 -4.066 1.734 0.031 117 HA ILE 18 HA ILE 18 -4.275 4.360 -1.231 118 HB ILE 18 HB ILE 18 -3.690 5.183 1.119 119 HG12 ILE 18 HG12 ILE 18 -4.669 2.425 1.837 120 HG13 ILE 18 HG11 ILE 18 -2.994 2.940 1.964 121 HG21 ILE 18 HG21 ILE 18 -6.038 5.037 1.803 122 HG22 ILE 18 HG22 ILE 18 -6.302 3.795 0.580 123 HG23 ILE 18 HG23 ILE 18 -5.872 5.435 0.093 124 HD11 ILE 18 HD11 ILE 18 -5.323 4.106 3.452 125 HD12 ILE 18 HD12 ILE 18 -3.639 4.610 3.605 126 HD13 ILE 18 HD13 ILE 18 -4.126 2.989 4.103 127 H CYS 19 HN CYS 19 -2.001 1.991 -0.404 128 HA CYS 19 HA CYS 19 -0.001 3.333 -1.845 129 HB2 CYS 19 HB2 CYS 19 1.599 3.882 -0.229 130 HB3 CYS 19 HB1 CYS 19 0.095 4.548 0.384 131 H HIS 20 HN HIS 20 2.098 2.131 -1.661 132 HA HIS 20 HA HIS 20 1.746 -0.668 -0.890 133 HB2 HIS 20 HB2 HIS 20 2.915 -1.407 -2.906 134 HB3 HIS 20 HB1 HIS 20 1.428 -0.573 -3.323 135 HD1 HIS 20 HD1 HIS 20 5.006 -0.606 -4.006 136 HD2 HIS 20 HD2 HIS 20 1.907 2.144 -4.266 137 HE1 HIS 20 HE1 HIS 20 5.858 1.233 -5.490 138 HE2 HIS 20 HE2 HIS 20 3.889 2.770 -5.803 139 H CYS 21 HN CYS 21 3.913 -1.728 -0.676 140 HA CYS 21 HA CYS 21 5.770 0.249 0.417 141 HB2 CYS 21 HB2 CYS 21 5.289 -2.642 0.890 142 HB3 CYS 21 HB1 CYS 21 6.912 -2.034 1.166 143 H CYS 22 HN CYS 22 7.963 0.246 -0.114 144 HA CYS 22 HA CYS 22 8.409 -0.382 -2.914 145 HB2 CYS 22 HB2 CYS 22 9.347 1.601 -1.012 146 HB3 CYS 22 HB1 CYS 22 10.664 0.875 -1.917 147 HN1 NH2 23 HN1 NH2 23 8.445 -2.687 -2.208 148 HN2 NH2 23 HN2 NH2 23 9.959 -3.355 -1.726 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 2.558 7.037 -4.327 2 H2 MET 1 HT2 MET 1 2.108 5.429 -4.075 3 H3 MET 1 HT3 MET 1 3.714 5.809 -4.441 4 HA MET 1 HA MET 1 3.920 7.032 -2.375 5 HB2 MET 1 HB2 MET 1 1.590 7.670 -2.103 6 HB3 MET 1 HB1 MET 1 1.124 5.984 -1.921 7 HG2 MET 1 HG2 MET 1 1.195 7.169 0.206 8 HG3 MET 1 HG1 MET 1 2.325 5.822 0.146 9 HE1 MET 1 HE1 MET 1 4.224 8.302 2.439 10 HE2 MET 1 HE2 MET 1 3.681 6.640 2.218 11 HE3 MET 1 HE3 MET 1 2.501 7.936 2.405 12 H CYS 2 HN CYS 2 5.522 5.742 -1.821 13 HA CYS 2 HA CYS 2 5.025 2.942 -1.216 14 HB2 CYS 2 HB2 CYS 2 7.517 4.576 -1.524 15 HB3 CYS 2 HB1 CYS 2 7.553 2.978 -0.796 16 H CYS 3 HN CYS 3 4.765 2.181 0.734 17 HA CYS 3 HA CYS 3 5.211 3.974 3.009 18 HB2 CYS 3 HB2 CYS 3 3.365 1.658 2.553 19 HB3 CYS 3 HB1 CYS 3 3.707 2.242 4.176 20 H GLY 4 HN GLY 4 7.299 2.198 1.692 21 HA2 GLY 4 HA2 GLY 4 8.885 1.686 3.774 22 HA3 GLY 4 HA1 GLY 4 7.851 0.271 3.774 23 H GLU 5 HN GLU 5 10.736 1.447 2.766 24 HA GLU 5 HA GLU 5 10.936 0.057 0.261 25 HB2 GLU 5 HB2 GLU 5 13.155 0.832 0.166 26 HB3 GLU 5 HB1 GLU 5 12.260 2.122 0.955 27 HG2 GLU 5 HG2 GLU 5 13.061 1.378 3.121 28 HG3 GLU 5 HG1 GLU 5 13.929 0.051 2.352 29 H GLY 6 HN GLY 6 12.192 -1.798 -0.139 30 HA2 GLY 6 HA2 GLY 6 12.999 -3.908 0.289 31 HA3 GLY 6 HA1 GLY 6 13.457 -3.322 1.882 32 H SER 7 HN SER 7 10.206 -2.880 1.075 33 HA SER 7 HA SER 7 9.421 -5.197 2.689 34 HB2 SER 7 HB2 SER 7 8.316 -2.386 2.847 35 HB3 SER 7 HB1 SER 7 7.805 -3.761 3.831 36 HG SER 7 HG SER 7 10.429 -2.657 3.789 37 H SER 8 HN SER 8 7.240 -5.933 2.310 38 HA SER 8 HA SER 8 6.170 -5.120 -0.312 39 HB2 SER 8 HB2 SER 8 6.180 -7.885 0.915 40 HB3 SER 8 HB1 SER 8 5.474 -7.460 -0.644 41 HG SER 8 HG SER 8 8.013 -6.587 -0.540 42 H CYS 9 HN CYS 9 5.406 -3.921 2.059 43 HA CYS 9 HA CYS 9 2.840 -5.065 2.840 44 HB2 CYS 9 HB2 CYS 9 3.189 -2.933 4.438 45 HB3 CYS 9 HB1 CYS 9 3.884 -4.517 4.778 46 HA PRO 10 HA PRO 10 1.018 -1.474 0.791 47 HB2 PRO 10 HB2 PRO 10 -1.069 -2.586 -0.348 48 HB3 PRO 10 HB1 PRO 10 0.540 -2.780 -1.049 49 HG2 PRO 10 HG2 PRO 10 -1.064 -4.704 0.568 50 HG3 PRO 10 HG1 PRO 10 -0.013 -5.009 -0.824 51 HD2 PRO 10 HD2 PRO 10 0.697 -5.323 1.873 52 HD3 PRO 10 HD1 PRO 10 1.817 -5.252 0.503 53 H LYS 11 HN LYS 11 -0.804 -0.292 1.356 54 HA LYS 11 HA LYS 11 -2.299 -1.374 3.651 55 HB2 LYS 11 HB2 LYS 11 -1.485 1.505 3.179 56 HB3 LYS 11 HB1 LYS 11 -2.440 0.922 4.530 57 HG2 LYS 11 HG2 LYS 11 -0.506 -0.460 5.243 58 HG3 LYS 11 HG1 LYS 11 0.432 0.263 3.942 59 HD2 LYS 11 HD2 LYS 11 0.913 1.401 6.022 60 HD3 LYS 11 HD1 LYS 11 0.064 2.490 4.926 61 HE2 LYS 11 HE2 LYS 11 -2.036 2.040 6.119 62 HE3 LYS 11 HE1 LYS 11 -1.179 0.956 7.212 63 HZ1 LYS 11 HZ1 LYS 11 -1.510 3.158 8.165 64 HZ2 LYS 11 HZ2 LYS 11 -0.623 3.852 6.909 65 HZ3 LYS 11 HZ3 LYS 11 0.133 2.801 7.993 66 H TYR 12 HN TYR 12 -4.491 -1.131 3.592 67 HA TYR 12 HA TYR 12 -5.573 0.204 1.208 68 HB2 TYR 12 HB2 TYR 12 -6.331 -2.428 2.416 69 HB3 TYR 12 HB1 TYR 12 -7.459 -1.526 1.417 70 HD1 TYR 12 HD1 TYR 12 -3.892 -2.657 1.284 71 HD2 TYR 12 HD2 TYR 12 -7.562 -2.087 -0.776 72 HE1 TYR 12 HE1 TYR 12 -2.910 -3.673 -0.723 73 HE2 TYR 12 HE2 TYR 12 -6.591 -3.089 -2.795 74 HH TYR 12 HH TYR 12 -4.358 -3.453 -3.782 75 H PHE 13 HN PHE 13 -7.489 1.250 1.389 76 HA PHE 13 HA PHE 13 -8.541 1.616 4.115 77 HB2 PHE 13 HB2 PHE 13 -7.600 3.646 2.932 78 HB3 PHE 13 HB1 PHE 13 -8.884 3.468 1.746 79 HD1 PHE 13 HD1 PHE 13 -11.250 3.750 2.463 80 HD2 PHE 13 HD2 PHE 13 -7.965 4.635 5.010 81 HE1 PHE 13 HE1 PHE 13 -12.723 5.115 3.880 82 HE2 PHE 13 HE2 PHE 13 -9.426 5.996 6.437 83 HZ PHE 13 HZ PHE 13 -11.813 6.243 5.876 84 H ARG 14 HN ARG 14 -10.207 0.312 4.330 85 HA ARG 14 HA ARG 14 -12.126 -0.822 3.978 86 HB2 ARG 14 HB2 ARG 14 -12.405 1.401 2.047 87 HB3 ARG 14 HB1 ARG 14 -13.449 0.011 1.815 88 HG2 ARG 14 HG2 ARG 14 -14.518 1.807 3.135 89 HG3 ARG 14 HG1 ARG 14 -14.391 0.288 4.029 90 HD2 ARG 14 HD2 ARG 14 -12.386 2.526 4.305 91 HD3 ARG 14 HD1 ARG 14 -13.835 2.428 5.299 92 HE ARG 14 HE ARG 14 -12.430 -0.008 5.476 93 HH11 ARG 14 HH11 ARG 14 -12.191 3.334 6.504 94 HH12 ARG 14 HH12 ARG 14 -11.192 2.969 7.876 95 HH21 ARG 14 HH21 ARG 14 -11.120 -0.485 7.272 96 HH22 ARG 14 HH22 ARG 14 -10.586 0.797 8.314 97 H ASN 15 HN ASN 15 -11.218 -0.105 0.638 98 HA ASN 15 HA ASN 15 -10.129 -2.741 0.265 99 HB2 ASN 15 HB2 ASN 15 -12.613 -3.008 0.012 100 HB3 ASN 15 HB1 ASN 15 -12.531 -1.910 -1.352 101 HD21 ASN 15 HD21 ASN 15 -10.039 -4.238 -0.674 102 HD22 ASN 15 HD22 ASN 15 -10.357 -5.261 -2.028 103 H SER 16 HN SER 16 -9.614 0.279 -0.030 104 HA SER 16 HA SER 16 -8.717 0.211 -2.841 105 HB2 SER 16 HB2 SER 16 -10.436 1.993 -2.051 106 HB3 SER 16 HB1 SER 16 -9.061 2.738 -1.237 107 HG SER 16 HG SER 16 -9.757 2.961 -3.777 108 H GLN 17 HN GLN 17 -6.563 0.200 -3.150 109 HA GLN 17 HA GLN 17 -4.827 0.090 -0.888 110 HB2 GLN 17 HB2 GLN 17 -4.451 -1.144 -3.046 111 HB3 GLN 17 HB1 GLN 17 -4.002 0.395 -3.776 112 HG2 GLN 17 HG2 GLN 17 -2.270 0.594 -1.952 113 HG3 GLN 17 HG1 GLN 17 -2.607 -1.085 -1.569 114 HE21 GLN 17 HE21 GLN 17 -2.096 -2.697 -3.170 115 HE22 GLN 17 HE22 GLN 17 -0.922 -2.363 -4.386 116 H ILE 18 HN ILE 18 -4.136 1.789 0.206 117 HA ILE 18 HA ILE 18 -4.216 4.410 -1.046 118 HB ILE 18 HB ILE 18 -3.620 5.195 1.317 119 HG12 ILE 18 HG12 ILE 18 -4.646 2.447 2.006 120 HG13 ILE 18 HG11 ILE 18 -2.963 2.934 2.142 121 HG21 ILE 18 HG21 ILE 18 -5.797 5.492 0.283 122 HG22 ILE 18 HG22 ILE 18 -5.967 5.099 1.992 123 HG23 ILE 18 HG23 ILE 18 -6.257 3.860 0.770 124 HD11 ILE 18 HD11 ILE 18 -3.595 4.610 3.788 125 HD12 ILE 18 HD12 ILE 18 -4.096 2.992 4.278 126 HD13 ILE 18 HD13 ILE 18 -5.283 4.122 3.628 127 H CYS 19 HN CYS 19 -1.962 2.022 -0.143 128 HA CYS 19 HA CYS 19 0.090 3.321 -1.561 129 HB2 CYS 19 HB2 CYS 19 1.650 3.855 0.115 130 HB3 CYS 19 HB1 CYS 19 0.138 4.593 0.621 131 H HIS 20 HN HIS 20 2.025 2.049 -1.627 132 HA HIS 20 HA HIS 20 1.730 -0.664 -0.570 133 HB2 HIS 20 HB2 HIS 20 2.885 -1.491 -2.631 134 HB3 HIS 20 HB1 HIS 20 1.248 -0.924 -2.877 135 HD1 HIS 20 HD1 HIS 20 1.218 -0.034 -5.165 136 HD2 HIS 20 HD2 HIS 20 4.588 1.184 -3.078 137 HE1 HIS 20 HE1 HIS 20 2.451 1.500 -6.724 138 HE2 HIS 20 HE2 HIS 20 4.595 2.045 -5.520 139 H CYS 21 HN CYS 21 3.860 -1.799 -0.466 140 HA CYS 21 HA CYS 21 5.832 0.137 0.490 141 HB2 CYS 21 HB2 CYS 21 5.284 -2.736 1.019 142 HB3 CYS 21 HB1 CYS 21 6.927 -2.164 1.231 143 H CYS 22 HN CYS 22 7.489 0.634 -0.633 144 HA CYS 22 HA CYS 22 8.008 -0.095 -3.234 145 HB2 CYS 22 HB2 CYS 22 9.272 1.511 -1.165 146 HB3 CYS 22 HB1 CYS 22 10.439 0.788 -2.260 147 HN1 NH2 23 HN1 NH2 23 9.599 -1.211 -0.293 148 HN2 NH2 23 HN2 NH2 23 10.360 -2.580 -1.013 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 3.851 5.674 -4.480 2 H2 MET 1 HT2 MET 1 2.621 6.831 -4.447 3 H3 MET 1 HT3 MET 1 2.263 5.209 -4.140 4 HA MET 1 HA MET 1 3.957 6.957 -2.463 5 HB2 MET 1 HB2 MET 1 1.618 7.570 -2.291 6 HB3 MET 1 HB1 MET 1 1.160 5.888 -2.065 7 HG2 MET 1 HG2 MET 1 1.143 7.173 0.015 8 HG3 MET 1 HG1 MET 1 2.259 5.815 0.057 9 HE1 MET 1 HE1 MET 1 2.318 8.111 2.198 10 HE2 MET 1 HE2 MET 1 4.050 8.411 2.320 11 HE3 MET 1 HE3 MET 1 3.450 6.760 2.177 12 H CYS 2 HN CYS 2 5.566 5.730 -1.793 13 HA CYS 2 HA CYS 2 5.121 2.927 -1.151 14 HB2 CYS 2 HB2 CYS 2 7.608 4.602 -1.322 15 HB3 CYS 2 HB1 CYS 2 7.605 2.948 -0.733 16 H CYS 3 HN CYS 3 4.824 2.191 0.793 17 HA CYS 3 HA CYS 3 5.287 3.967 3.080 18 HB2 CYS 3 HB2 CYS 3 3.408 1.655 2.657 19 HB3 CYS 3 HB1 CYS 3 3.692 2.369 4.240 20 H GLY 4 HN GLY 4 7.301 2.128 1.739 21 HA2 GLY 4 HA2 GLY 4 8.866 1.506 3.813 22 HA3 GLY 4 HA1 GLY 4 7.785 0.132 3.764 23 H GLU 5 HN GLU 5 10.637 1.475 2.569 24 HA GLU 5 HA GLU 5 10.786 -0.151 0.206 25 HB2 GLU 5 HB2 GLU 5 12.992 0.700 -0.084 26 HB3 GLU 5 HB1 GLU 5 11.986 2.035 0.458 27 HG2 GLU 5 HG2 GLU 5 12.900 1.918 2.661 28 HG3 GLU 5 HG1 GLU 5 13.758 0.428 2.274 29 H GLY 6 HN GLY 6 12.093 -1.970 -0.085 30 HA2 GLY 6 HA2 GLY 6 13.099 -3.949 0.529 31 HA3 GLY 6 HA1 GLY 6 13.390 -3.262 2.123 32 H SER 7 HN SER 7 10.214 -2.879 1.241 33 HA SER 7 HA SER 7 9.377 -5.296 2.671 34 HB2 SER 7 HB2 SER 7 8.293 -2.493 3.002 35 HB3 SER 7 HB1 SER 7 7.729 -3.931 3.859 36 HG SER 7 HG SER 7 9.992 -4.090 4.613 37 H SER 8 HN SER 8 7.176 -5.965 2.210 38 HA SER 8 HA SER 8 6.183 -4.986 -0.382 39 HB2 SER 8 HB2 SER 8 7.235 -7.222 -0.547 40 HB3 SER 8 HB1 SER 8 6.113 -7.827 0.668 41 HG SER 8 HG SER 8 4.406 -7.208 -0.824 42 H CYS 9 HN CYS 9 5.393 -3.957 2.083 43 HA CYS 9 HA CYS 9 2.792 -5.093 2.739 44 HB2 CYS 9 HB2 CYS 9 3.119 -3.021 4.416 45 HB3 CYS 9 HB1 CYS 9 3.807 -4.616 4.712 46 HA PRO 10 HA PRO 10 1.062 -1.414 0.751 47 HB2 PRO 10 HB2 PRO 10 -1.032 -2.458 -0.443 48 HB3 PRO 10 HB1 PRO 10 0.582 -2.685 -1.121 49 HG2 PRO 10 HG2 PRO 10 -1.090 -4.586 0.458 50 HG3 PRO 10 HG1 PRO 10 -0.043 -4.897 -0.937 51 HD2 PRO 10 HD2 PRO 10 0.658 -5.288 1.743 52 HD3 PRO 10 HD1 PRO 10 1.787 -5.190 0.383 53 H LYS 11 HN LYS 11 -0.791 -0.227 1.264 54 HA LYS 11 HA LYS 11 -2.279 -1.280 3.578 55 HB2 LYS 11 HB2 LYS 11 -1.430 1.571 3.019 56 HB3 LYS 11 HB1 LYS 11 -2.491 1.086 4.329 57 HG2 LYS 11 HG2 LYS 11 -0.696 -0.231 5.317 58 HG3 LYS 11 HG1 LYS 11 0.365 0.214 3.985 59 HD2 LYS 11 HD2 LYS 11 0.836 1.587 5.924 60 HD3 LYS 11 HD1 LYS 11 0.164 2.573 4.625 61 HE2 LYS 11 HE2 LYS 11 -0.836 3.215 6.728 62 HE3 LYS 11 HE1 LYS 11 -2.052 2.441 5.717 63 HZ1 LYS 11 HZ1 LYS 11 -0.570 1.155 7.945 64 HZ2 LYS 11 HZ2 LYS 11 -1.724 0.396 6.974 65 HZ3 LYS 11 HZ3 LYS 11 -2.181 1.665 7.991 66 H TYR 12 HN TYR 12 -4.466 -1.099 3.511 67 HA TYR 12 HA TYR 12 -5.599 0.239 1.155 68 HB2 TYR 12 HB2 TYR 12 -6.281 -2.429 2.326 69 HB3 TYR 12 HB1 TYR 12 -7.436 -1.540 1.349 70 HD1 TYR 12 HD1 TYR 12 -3.838 -2.558 1.165 71 HD2 TYR 12 HD2 TYR 12 -7.547 -2.106 -0.846 72 HE1 TYR 12 HE1 TYR 12 -2.844 -3.524 -0.862 73 HE2 TYR 12 HE2 TYR 12 -6.567 -3.059 -2.883 74 HH TYR 12 HH TYR 12 -4.471 -3.444 -3.918 75 H PHE 13 HN PHE 13 -7.487 1.295 1.396 76 HA PHE 13 HA PHE 13 -8.518 1.591 4.136 77 HB2 PHE 13 HB2 PHE 13 -7.601 3.654 3.006 78 HB3 PHE 13 HB1 PHE 13 -8.875 3.492 1.807 79 HD1 PHE 13 HD1 PHE 13 -11.212 3.854 2.434 80 HD2 PHE 13 HD2 PHE 13 -8.026 4.479 5.174 81 HE1 PHE 13 HE1 PHE 13 -12.719 5.153 3.879 82 HE2 PHE 13 HE2 PHE 13 -9.520 5.776 6.629 83 HZ PHE 13 HZ PHE 13 -11.877 6.116 5.987 84 H ARG 14 HN ARG 14 -10.310 0.455 4.411 85 HA ARG 14 HA ARG 14 -12.209 -0.730 4.016 86 HB2 ARG 14 HB2 ARG 14 -12.363 1.142 1.660 87 HB3 ARG 14 HB1 ARG 14 -13.562 -0.106 1.932 88 HG2 ARG 14 HG2 ARG 14 -14.174 0.902 4.056 89 HG3 ARG 14 HG1 ARG 14 -12.887 2.102 3.885 90 HD2 ARG 14 HD2 ARG 14 -14.973 3.131 3.260 91 HD3 ARG 14 HD1 ARG 14 -13.995 2.918 1.811 92 HE ARG 14 HE ARG 14 -15.894 0.790 2.308 93 HH11 ARG 14 HH11 ARG 14 -15.333 3.884 0.769 94 HH12 ARG 14 HH12 ARG 14 -16.610 3.681 -0.388 95 HH21 ARG 14 HH21 ARG 14 -17.583 0.523 0.792 96 HH22 ARG 14 HH22 ARG 14 -17.892 1.773 -0.371 97 H ASN 15 HN ASN 15 -11.242 -0.245 0.668 98 HA ASN 15 HA ASN 15 -9.816 -2.724 0.541 99 HB2 ASN 15 HB2 ASN 15 -12.276 -3.314 0.269 100 HB3 ASN 15 HB1 ASN 15 -12.214 -2.432 -1.249 101 HD21 ASN 15 HD21 ASN 15 -9.611 -4.384 0.055 102 HD22 ASN 15 HD22 ASN 15 -9.665 -5.603 -1.168 103 H SER 16 HN SER 16 -9.595 0.223 0.085 104 HA SER 16 HA SER 16 -8.813 0.230 -2.760 105 HB2 SER 16 HB2 SER 16 -9.384 2.564 -0.909 106 HB3 SER 16 HB1 SER 16 -8.999 2.680 -2.626 107 HG SER 16 HG SER 16 -10.931 1.362 -2.964 108 H GLN 17 HN GLN 17 -6.669 0.188 -3.160 109 HA GLN 17 HA GLN 17 -4.823 0.115 -0.997 110 HB2 GLN 17 HB2 GLN 17 -4.488 -1.101 -3.159 111 HB3 GLN 17 HB1 GLN 17 -4.151 0.450 -3.923 112 HG2 GLN 17 HG2 GLN 17 -2.343 0.751 -2.189 113 HG3 GLN 17 HG1 GLN 17 -2.574 -0.940 -1.783 114 HE21 GLN 17 HE21 GLN 17 -1.987 -2.536 -3.346 115 HE22 GLN 17 HE22 GLN 17 -0.910 -2.149 -4.635 116 H ILE 18 HN ILE 18 -4.139 1.798 0.089 117 HA ILE 18 HA ILE 18 -4.242 4.432 -1.138 118 HB ILE 18 HB ILE 18 -3.665 5.197 1.241 119 HG12 ILE 18 HG12 ILE 18 -4.699 2.438 1.874 120 HG13 ILE 18 HG11 ILE 18 -3.024 2.933 2.063 121 HG21 ILE 18 HG21 ILE 18 -6.295 3.868 0.634 122 HG22 ILE 18 HG22 ILE 18 -5.825 5.506 0.177 123 HG23 ILE 18 HG23 ILE 18 -6.026 5.088 1.877 124 HD11 ILE 18 HD11 ILE 18 -4.265 2.930 4.160 125 HD12 ILE 18 HD12 ILE 18 -5.372 4.131 3.497 126 HD13 ILE 18 HD13 ILE 18 -3.672 4.536 3.742 127 H CYS 19 HN CYS 19 -1.988 2.042 -0.187 128 HA CYS 19 HA CYS 19 0.048 3.345 -1.635 129 HB2 CYS 19 HB2 CYS 19 1.611 3.903 0.012 130 HB3 CYS 19 HB1 CYS 19 0.096 4.567 0.600 131 H HIS 20 HN HIS 20 2.110 2.114 -1.456 132 HA HIS 20 HA HIS 20 1.702 -0.673 -0.671 133 HB2 HIS 20 HB2 HIS 20 2.742 -1.491 -2.677 134 HB3 HIS 20 HB1 HIS 20 1.391 -0.473 -3.135 135 HD1 HIS 20 HD1 HIS 20 4.868 -1.053 -3.856 136 HD2 HIS 20 HD2 HIS 20 2.330 2.227 -3.914 137 HE1 HIS 20 HE1 HIS 20 6.031 0.677 -5.260 138 HE2 HIS 20 HE2 HIS 20 4.355 2.544 -5.485 139 H CYS 21 HN CYS 21 3.844 -1.795 -0.485 140 HA CYS 21 HA CYS 21 5.781 0.123 0.570 141 HB2 CYS 21 HB2 CYS 21 5.247 -2.767 1.016 142 HB3 CYS 21 HB1 CYS 21 6.895 -2.206 1.236 143 H CYS 22 HN CYS 22 7.641 0.506 -0.332 144 HA CYS 22 HA CYS 22 7.964 0.071 -3.077 145 HB2 CYS 22 HB2 CYS 22 9.177 1.640 -1.018 146 HB3 CYS 22 HB1 CYS 22 10.436 0.880 -1.980 147 HN1 NH2 23 HN1 NH2 23 9.495 -1.389 -0.292 148 HN2 NH2 23 HN2 NH2 23 10.331 -2.622 -1.160 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 3.565 5.535 -4.496 2 H2 MET 1 HT2 MET 1 2.437 6.780 -4.329 3 H3 MET 1 HT3 MET 1 2.027 5.201 -3.886 4 HA MET 1 HA MET 1 4.105 6.855 -2.588 5 HB2 MET 1 HB2 MET 1 1.840 7.680 -2.120 6 HB3 MET 1 HB1 MET 1 1.347 6.063 -1.630 7 HG2 MET 1 HG2 MET 1 3.044 6.158 0.172 8 HG3 MET 1 HG1 MET 1 3.367 7.825 -0.282 9 HE1 MET 1 HE1 MET 1 1.451 8.106 3.127 10 HE2 MET 1 HE2 MET 1 2.917 8.534 2.246 11 HE3 MET 1 HE3 MET 1 2.586 6.847 2.637 12 H CYS 2 HN CYS 2 5.651 5.559 -1.913 13 HA CYS 2 HA CYS 2 5.033 2.836 -1.111 14 HB2 CYS 2 HB2 CYS 2 7.586 4.327 -1.571 15 HB3 CYS 2 HB1 CYS 2 7.571 2.778 -0.742 16 H CYS 3 HN CYS 3 4.733 2.220 0.876 17 HA CYS 3 HA CYS 3 5.253 4.104 3.044 18 HB2 CYS 3 HB2 CYS 3 3.472 1.709 2.754 19 HB3 CYS 3 HB1 CYS 3 3.817 2.403 4.333 20 H GLY 4 HN GLY 4 7.004 1.776 1.628 21 HA2 GLY 4 HA2 GLY 4 8.699 1.449 3.847 22 HA3 GLY 4 HA1 GLY 4 7.729 0.006 3.630 23 H GLU 5 HN GLU 5 10.597 1.436 2.885 24 HA GLU 5 HA GLU 5 11.008 0.280 0.290 25 HB2 GLU 5 HB2 GLU 5 12.178 2.310 0.937 26 HB3 GLU 5 HB1 GLU 5 12.930 1.476 2.287 27 HG2 GLU 5 HG2 GLU 5 14.100 0.010 0.699 28 HG3 GLU 5 HG1 GLU 5 13.382 0.911 -0.633 29 H GLY 6 HN GLY 6 11.812 -1.672 -0.178 30 HA2 GLY 6 HA2 GLY 6 12.839 -3.724 0.102 31 HA3 GLY 6 HA1 GLY 6 13.326 -3.224 1.717 32 H SER 7 HN SER 7 10.095 -2.668 1.271 33 HA SER 7 HA SER 7 9.383 -5.150 2.664 34 HB2 SER 7 HB2 SER 7 8.150 -2.401 2.899 35 HB3 SER 7 HB1 SER 7 7.702 -3.826 3.843 36 HG SER 7 HG SER 7 10.053 -3.784 4.456 37 H SER 8 HN SER 8 7.126 -5.858 2.327 38 HA SER 8 HA SER 8 6.081 -5.044 -0.300 39 HB2 SER 8 HB2 SER 8 6.091 -7.816 0.909 40 HB3 SER 8 HB1 SER 8 5.340 -7.381 -0.627 41 HG SER 8 HG SER 8 8.099 -7.033 -0.031 42 H CYS 9 HN CYS 9 5.366 -3.931 2.184 43 HA CYS 9 HA CYS 9 2.777 -5.022 2.925 44 HB2 CYS 9 HB2 CYS 9 3.105 -2.868 4.489 45 HB3 CYS 9 HB1 CYS 9 3.817 -4.436 4.855 46 HA PRO 10 HA PRO 10 0.930 -1.484 0.818 47 HB2 PRO 10 HB2 PRO 10 -1.146 -2.638 -0.297 48 HB3 PRO 10 HB1 PRO 10 0.467 -2.828 -0.990 49 HG2 PRO 10 HG2 PRO 10 -1.127 -4.750 0.638 50 HG3 PRO 10 HG1 PRO 10 -0.036 -5.059 -0.721 51 HD2 PRO 10 HD2 PRO 10 0.596 -5.285 2.014 52 HD3 PRO 10 HD1 PRO 10 1.743 -5.283 0.665 53 H LYS 11 HN LYS 11 -0.853 -0.276 1.367 54 HA LYS 11 HA LYS 11 -2.367 -1.259 3.696 55 HB2 LYS 11 HB2 LYS 11 -1.504 1.576 3.064 56 HB3 LYS 11 HB1 LYS 11 -2.533 1.115 4.408 57 HG2 LYS 11 HG2 LYS 11 -0.710 -0.194 5.368 58 HG3 LYS 11 HG1 LYS 11 0.315 0.242 4.006 59 HD2 LYS 11 HD2 LYS 11 0.808 1.628 5.955 60 HD3 LYS 11 HD1 LYS 11 0.173 2.596 4.626 61 HE2 LYS 11 HE2 LYS 11 -2.046 2.567 5.692 62 HE3 LYS 11 HE1 LYS 11 -1.381 1.635 7.032 63 HZ1 LYS 11 HZ1 LYS 11 0.117 3.478 7.504 64 HZ2 LYS 11 HZ2 LYS 11 -1.500 3.961 7.590 65 HZ3 LYS 11 HZ3 LYS 11 -0.565 4.377 6.243 66 H TYR 12 HN TYR 12 -4.568 -1.047 3.608 67 HA TYR 12 HA TYR 12 -5.648 0.217 1.185 68 HB2 TYR 12 HB2 TYR 12 -6.400 -2.417 2.408 69 HB3 TYR 12 HB1 TYR 12 -7.451 -1.563 1.289 70 HD1 TYR 12 HD1 TYR 12 -3.967 -2.871 1.563 71 HD2 TYR 12 HD2 TYR 12 -7.252 -1.946 -0.960 72 HE1 TYR 12 HE1 TYR 12 -2.797 -3.905 -0.324 73 HE2 TYR 12 HE2 TYR 12 -6.089 -2.975 -2.863 74 HH TYR 12 HH TYR 12 -3.309 -4.916 -2.492 75 H PHE 13 HN PHE 13 -7.504 1.309 1.347 76 HA PHE 13 HA PHE 13 -8.648 1.669 4.035 77 HB2 PHE 13 HB2 PHE 13 -7.733 3.685 2.791 78 HB3 PHE 13 HB1 PHE 13 -9.007 3.446 1.610 79 HD1 PHE 13 HD1 PHE 13 -8.078 5.038 4.599 80 HD2 PHE 13 HD2 PHE 13 -11.430 3.425 2.542 81 HE1 PHE 13 HE1 PHE 13 -9.576 6.417 5.966 82 HE2 PHE 13 HE2 PHE 13 -12.939 4.803 3.906 83 HZ PHE 13 HZ PHE 13 -12.012 6.306 5.627 84 H ARG 14 HN ARG 14 -10.365 0.396 4.283 85 HA ARG 14 HA ARG 14 -12.155 -0.936 3.848 86 HB2 ARG 14 HB2 ARG 14 -12.445 1.143 1.750 87 HB3 ARG 14 HB1 ARG 14 -13.357 -0.340 1.544 88 HG2 ARG 14 HG2 ARG 14 -14.651 1.473 2.636 89 HG3 ARG 14 HG1 ARG 14 -14.517 0.014 3.627 90 HD2 ARG 14 HD2 ARG 14 -12.588 2.287 3.971 91 HD3 ARG 14 HD1 ARG 14 -14.179 2.346 4.726 92 HE ARG 14 HE ARG 14 -12.535 -0.012 5.255 93 HH11 ARG 14 HH11 ARG 14 -13.756 3.079 6.362 94 HH12 ARG 14 HH12 ARG 14 -13.388 2.766 8.026 95 HH21 ARG 14 HH21 ARG 14 -12.061 -0.428 7.438 96 HH22 ARG 14 HH22 ARG 14 -12.421 0.768 8.641 97 H ASN 15 HN ASN 15 -11.173 -0.313 0.522 98 HA ASN 15 HA ASN 15 -9.707 -2.787 0.371 99 HB2 ASN 15 HB2 ASN 15 -12.055 -3.450 -0.046 100 HB3 ASN 15 HB1 ASN 15 -12.113 -2.321 -1.386 101 HD21 ASN 15 HD21 ASN 15 -10.525 -5.217 -0.200 102 HD22 ASN 15 HD22 ASN 15 -10.143 -5.863 -1.756 103 H SER 16 HN SER 16 -9.670 0.301 -0.086 104 HA SER 16 HA SER 16 -8.654 0.322 -2.841 105 HB2 SER 16 HB2 SER 16 -9.230 2.639 -0.975 106 HB3 SER 16 HB1 SER 16 -8.805 2.761 -2.680 107 HG SER 16 HG SER 16 -10.784 2.253 -3.218 108 H GLN 17 HN GLN 17 -6.501 0.246 -3.162 109 HA GLN 17 HA GLN 17 -4.740 0.131 -0.927 110 HB2 GLN 17 HB2 GLN 17 -4.422 -1.034 -3.181 111 HB3 GLN 17 HB1 GLN 17 -3.857 0.520 -3.783 112 HG2 GLN 17 HG2 GLN 17 -2.169 0.517 -1.947 113 HG3 GLN 17 HG1 GLN 17 -2.651 -1.130 -1.578 114 HE21 GLN 17 HE21 GLN 17 -2.226 -2.778 -3.176 115 HE22 GLN 17 HE22 GLN 17 -0.964 -2.542 -4.334 116 H ILE 18 HN ILE 18 -4.092 1.815 0.192 117 HA ILE 18 HA ILE 18 -4.169 4.454 -1.034 118 HB ILE 18 HB ILE 18 -3.710 5.216 1.368 119 HG12 ILE 18 HG12 ILE 18 -4.730 2.439 1.946 120 HG13 ILE 18 HG11 ILE 18 -3.074 2.961 2.212 121 HG21 ILE 18 HG21 ILE 18 -6.091 5.078 1.904 122 HG22 ILE 18 HG22 ILE 18 -6.292 3.857 0.647 123 HG23 ILE 18 HG23 ILE 18 -5.825 5.500 0.214 124 HD11 ILE 18 HD11 ILE 18 -4.353 2.948 4.261 125 HD12 ILE 18 HD12 ILE 18 -5.524 4.058 3.547 126 HD13 ILE 18 HD13 ILE 18 -3.868 4.589 3.836 127 H CYS 19 HN CYS 19 -1.955 2.073 -0.115 128 HA CYS 19 HA CYS 19 0.119 3.384 -1.476 129 HB2 CYS 19 HB2 CYS 19 1.655 3.928 0.188 130 HB3 CYS 19 HB1 CYS 19 0.141 4.597 0.772 131 H HIS 20 HN HIS 20 2.080 2.102 -1.452 132 HA HIS 20 HA HIS 20 1.707 -0.632 -0.488 133 HB2 HIS 20 HB2 HIS 20 2.855 -1.439 -2.572 134 HB3 HIS 20 HB1 HIS 20 1.219 -0.854 -2.799 135 HD1 HIS 20 HD1 HIS 20 1.102 0.229 -5.004 136 HD2 HIS 20 HD2 HIS 20 4.646 1.117 -3.028 137 HE1 HIS 20 HE1 HIS 20 2.361 1.774 -6.535 138 HE2 HIS 20 HE2 HIS 20 4.587 2.126 -5.410 139 H CYS 21 HN CYS 21 3.795 -1.787 -0.339 140 HA CYS 21 HA CYS 21 5.870 0.114 0.449 141 HB2 CYS 21 HB2 CYS 21 5.321 -2.758 1.081 142 HB3 CYS 21 HB1 CYS 21 6.933 -2.111 1.320 143 H CYS 22 HN CYS 22 7.540 0.464 -0.739 144 HA CYS 22 HA CYS 22 7.887 -0.353 -3.340 145 HB2 CYS 22 HB2 CYS 22 9.458 1.121 -1.340 146 HB3 CYS 22 HB1 CYS 22 10.400 0.400 -2.635 147 HN1 NH2 23 HN1 NH2 23 9.534 -1.518 -0.455 148 HN2 NH2 23 HN2 NH2 23 10.175 -2.942 -1.178 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 2.489 6.657 -4.539 2 H2 MET 1 HT2 MET 1 2.134 5.063 -4.108 3 H3 MET 1 HT3 MET 1 3.692 5.475 -4.604 4 HA MET 1 HA MET 1 4.016 6.841 -2.678 5 HB2 MET 1 HB2 MET 1 1.673 7.544 -2.422 6 HB3 MET 1 HB1 MET 1 1.236 5.914 -1.931 7 HG2 MET 1 HG2 MET 1 1.394 7.299 0.002 8 HG3 MET 1 HG1 MET 1 2.719 6.142 0.019 9 HE1 MET 1 HE1 MET 1 3.863 7.588 1.903 10 HE2 MET 1 HE2 MET 1 2.577 8.791 1.833 11 HE3 MET 1 HE3 MET 1 4.262 9.297 1.732 12 H CYS 2 HN CYS 2 5.590 5.599 -1.925 13 HA CYS 2 HA CYS 2 5.022 2.851 -1.164 14 HB2 CYS 2 HB2 CYS 2 7.586 4.388 -1.446 15 HB3 CYS 2 HB1 CYS 2 7.512 2.777 -0.755 16 H CYS 3 HN CYS 3 4.792 2.153 0.806 17 HA CYS 3 HA CYS 3 5.200 4.027 3.029 18 HB2 CYS 3 HB2 CYS 3 3.315 1.730 2.611 19 HB3 CYS 3 HB1 CYS 3 3.608 2.405 4.208 20 H GLY 4 HN GLY 4 7.206 2.079 1.788 21 HA2 GLY 4 HA2 GLY 4 8.652 1.491 4.005 22 HA3 GLY 4 HA1 GLY 4 7.611 0.097 3.802 23 H GLU 5 HN GLU 5 10.550 1.415 3.052 24 HA GLU 5 HA GLU 5 10.898 0.211 0.471 25 HB2 GLU 5 HB2 GLU 5 13.175 0.975 0.606 26 HB3 GLU 5 HB1 GLU 5 12.118 2.256 1.186 27 HG2 GLU 5 HG2 GLU 5 12.691 1.827 3.442 28 HG3 GLU 5 HG1 GLU 5 13.526 0.337 3.007 29 H GLY 6 HN GLY 6 12.137 -1.584 -0.020 30 HA2 GLY 6 HA2 GLY 6 13.032 -3.677 0.266 31 HA3 GLY 6 HA1 GLY 6 13.442 -3.203 1.908 32 H SER 7 HN SER 7 10.185 -2.791 1.108 33 HA SER 7 HA SER 7 9.470 -5.286 2.473 34 HB2 SER 7 HB2 SER 7 8.317 -2.531 2.948 35 HB3 SER 7 HB1 SER 7 7.801 -4.019 3.751 36 HG SER 7 HG SER 7 10.449 -2.991 3.846 37 H SER 8 HN SER 8 7.143 -5.847 2.178 38 HA SER 8 HA SER 8 6.134 -4.975 -0.442 39 HB2 SER 8 HB2 SER 8 7.225 -7.245 -0.471 40 HB3 SER 8 HB1 SER 8 5.980 -7.793 0.647 41 HG SER 8 HG SER 8 4.569 -6.771 -1.183 42 H CYS 9 HN CYS 9 5.409 -3.957 2.094 43 HA CYS 9 HA CYS 9 2.813 -5.080 2.766 44 HB2 CYS 9 HB2 CYS 9 3.149 -2.991 4.429 45 HB3 CYS 9 HB1 CYS 9 3.841 -4.584 4.732 46 HA PRO 10 HA PRO 10 1.034 -1.438 0.752 47 HB2 PRO 10 HB2 PRO 10 -1.020 -2.525 -0.462 48 HB3 PRO 10 HB1 PRO 10 0.608 -2.726 -1.113 49 HG2 PRO 10 HG2 PRO 10 -1.060 -4.657 0.427 50 HG3 PRO 10 HG1 PRO 10 0.044 -4.951 -0.927 51 HD2 PRO 10 HD2 PRO 10 0.639 -5.286 1.799 52 HD3 PRO 10 HD1 PRO 10 1.810 -5.233 0.472 53 H LYS 11 HN LYS 11 -0.740 -0.221 1.326 54 HA LYS 11 HA LYS 11 -2.248 -1.273 3.626 55 HB2 LYS 11 HB2 LYS 11 -1.438 1.571 2.992 56 HB3 LYS 11 HB1 LYS 11 -2.503 1.115 4.309 57 HG2 LYS 11 HG2 LYS 11 -0.700 -0.144 5.356 58 HG3 LYS 11 HG1 LYS 11 0.364 0.260 4.012 59 HD2 LYS 11 HD2 LYS 11 0.725 1.691 6.000 60 HD3 LYS 11 HD1 LYS 11 0.269 2.600 4.559 61 HE2 LYS 11 HE2 LYS 11 -2.030 2.741 5.358 62 HE3 LYS 11 HE1 LYS 11 -1.608 1.795 6.783 63 HZ1 LYS 11 HZ1 LYS 11 -0.538 4.473 6.086 64 HZ2 LYS 11 HZ2 LYS 11 -0.083 3.568 7.435 65 HZ3 LYS 11 HZ3 LYS 11 -1.668 4.138 7.298 66 H TYR 12 HN TYR 12 -4.453 -1.097 3.587 67 HA TYR 12 HA TYR 12 -5.604 0.178 1.204 68 HB2 TYR 12 HB2 TYR 12 -6.299 -2.473 2.420 69 HB3 TYR 12 HB1 TYR 12 -7.424 -1.603 1.390 70 HD1 TYR 12 HD1 TYR 12 -3.838 -2.675 1.341 71 HD2 TYR 12 HD2 TYR 12 -7.466 -2.183 -0.808 72 HE1 TYR 12 HE1 TYR 12 -2.794 -3.694 -0.630 73 HE2 TYR 12 HE2 TYR 12 -6.432 -3.193 -2.796 74 HH TYR 12 HH TYR 12 -4.253 -3.601 -3.740 75 H PHE 13 HN PHE 13 -7.422 1.292 1.438 76 HA PHE 13 HA PHE 13 -8.475 1.657 4.162 77 HB2 PHE 13 HB2 PHE 13 -7.520 3.651 2.936 78 HB3 PHE 13 HB1 PHE 13 -8.798 3.462 1.750 79 HD1 PHE 13 HD1 PHE 13 -11.204 3.658 2.567 80 HD2 PHE 13 HD2 PHE 13 -7.836 4.871 4.856 81 HE1 PHE 13 HE1 PHE 13 -12.655 5.101 3.926 82 HE2 PHE 13 HE2 PHE 13 -9.276 6.309 6.224 83 HZ PHE 13 HZ PHE 13 -11.692 6.428 5.765 84 H ARG 14 HN ARG 14 -10.189 0.391 4.420 85 HA ARG 14 HA ARG 14 -12.085 -0.794 4.061 86 HB2 ARG 14 HB2 ARG 14 -12.368 1.378 2.067 87 HB3 ARG 14 HB1 ARG 14 -13.380 -0.036 1.852 88 HG2 ARG 14 HG2 ARG 14 -14.547 1.731 3.079 89 HG3 ARG 14 HG1 ARG 14 -14.337 0.286 4.076 90 HD2 ARG 14 HD2 ARG 14 -12.419 2.602 4.209 91 HD3 ARG 14 HD1 ARG 14 -13.905 2.586 5.155 92 HE ARG 14 HE ARG 14 -12.428 0.199 5.583 93 HH11 ARG 14 HH11 ARG 14 -12.459 3.610 6.395 94 HH12 ARG 14 HH12 ARG 14 -11.584 3.393 7.879 95 HH21 ARG 14 HH21 ARG 14 -11.278 -0.083 7.540 96 HH22 ARG 14 HH22 ARG 14 -10.902 1.300 8.522 97 H ASN 15 HN ASN 15 -11.179 -0.105 0.723 98 HA ASN 15 HA ASN 15 -10.031 -2.722 0.358 99 HB2 ASN 15 HB2 ASN 15 -12.512 -3.017 0.054 100 HB3 ASN 15 HB1 ASN 15 -12.409 -1.919 -1.311 101 HD21 ASN 15 HD21 ASN 15 -10.000 -4.317 -0.461 102 HD22 ASN 15 HD22 ASN 15 -10.224 -5.304 -1.860 103 H SER 16 HN SER 16 -9.595 0.322 0.077 104 HA SER 16 HA SER 16 -8.732 0.336 -2.742 105 HB2 SER 16 HB2 SER 16 -9.252 2.676 -0.886 106 HB3 SER 16 HB1 SER 16 -8.780 2.793 -2.580 107 HG SER 16 HG SER 16 -10.834 1.282 -2.688 108 H GLN 17 HN GLN 17 -6.605 0.168 -3.085 109 HA GLN 17 HA GLN 17 -4.785 0.077 -0.894 110 HB2 GLN 17 HB2 GLN 17 -4.507 -1.214 -3.030 111 HB3 GLN 17 HB1 GLN 17 -4.078 0.301 -3.821 112 HG2 GLN 17 HG2 GLN 17 -2.268 0.536 -2.081 113 HG3 GLN 17 HG1 GLN 17 -2.599 -1.129 -1.634 114 HE21 GLN 17 HE21 GLN 17 -2.129 -2.795 -3.192 115 HE22 GLN 17 HE22 GLN 17 -1.009 -2.497 -4.471 116 H ILE 18 HN ILE 18 -4.155 1.815 0.156 117 HA ILE 18 HA ILE 18 -4.217 4.392 -1.167 118 HB ILE 18 HB ILE 18 -3.648 5.240 1.177 119 HG12 ILE 18 HG12 ILE 18 -4.633 2.491 1.927 120 HG13 ILE 18 HG11 ILE 18 -2.959 3.008 2.059 121 HG21 ILE 18 HG21 ILE 18 -6.002 5.111 1.842 122 HG22 ILE 18 HG22 ILE 18 -6.257 3.848 0.636 123 HG23 ILE 18 HG23 ILE 18 -5.821 5.479 0.127 124 HD11 ILE 18 HD11 ILE 18 -4.093 3.094 4.191 125 HD12 ILE 18 HD12 ILE 18 -5.304 4.184 3.514 126 HD13 ILE 18 HD13 ILE 18 -3.628 4.712 3.664 127 H CYS 19 HN CYS 19 -1.964 2.034 -0.206 128 HA CYS 19 HA CYS 19 0.070 3.312 -1.664 129 HB2 CYS 19 HB2 CYS 19 1.663 3.827 -0.004 130 HB3 CYS 19 HB1 CYS 19 0.171 4.623 0.472 131 H HIS 20 HN HIS 20 2.108 2.080 -1.526 132 HA HIS 20 HA HIS 20 1.722 -0.688 -0.651 133 HB2 HIS 20 HB2 HIS 20 2.743 -1.553 -2.645 134 HB3 HIS 20 HB1 HIS 20 1.396 -0.540 -3.122 135 HD1 HIS 20 HD1 HIS 20 4.865 -1.165 -3.843 136 HD2 HIS 20 HD2 HIS 20 2.350 2.138 -3.978 137 HE1 HIS 20 HE1 HIS 20 6.017 0.502 -5.329 138 HE2 HIS 20 HE2 HIS 20 4.394 2.419 -5.540 139 H CYS 21 HN CYS 21 3.855 -1.804 -0.443 140 HA CYS 21 HA CYS 21 5.829 0.122 0.531 141 HB2 CYS 21 HB2 CYS 21 5.307 -2.768 1.028 142 HB3 CYS 21 HB1 CYS 21 6.938 -2.169 1.259 143 H CYS 22 HN CYS 22 7.663 0.477 -0.445 144 HA CYS 22 HA CYS 22 8.021 -0.202 -3.140 145 HB2 CYS 22 HB2 CYS 22 9.328 1.455 -1.143 146 HB3 CYS 22 HB1 CYS 22 10.477 0.706 -2.240 147 HN1 NH2 23 HN1 NH2 23 9.736 -1.232 -0.235 148 HN2 NH2 23 HN2 NH2 23 10.463 -2.626 -0.947 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 2.993 6.948 -4.473 2 H2 MET 1 HT2 MET 1 2.694 5.302 -4.252 3 H3 MET 1 HT3 MET 1 4.280 5.856 -4.395 4 HA MET 1 HA MET 1 4.108 7.052 -2.342 5 HB2 MET 1 HB2 MET 1 1.635 7.451 -2.559 6 HB3 MET 1 HB1 MET 1 1.379 5.781 -2.074 7 HG2 MET 1 HG2 MET 1 2.588 6.282 0.040 8 HG3 MET 1 HG1 MET 1 2.645 7.968 -0.453 9 HE1 MET 1 HE1 MET 1 -0.239 8.193 -1.919 10 HE2 MET 1 HE2 MET 1 0.458 9.440 -0.888 11 HE3 MET 1 HE3 MET 1 -1.184 8.868 -0.591 12 H CYS 2 HN CYS 2 5.722 5.758 -1.745 13 HA CYS 2 HA CYS 2 5.207 2.953 -1.160 14 HB2 CYS 2 HB2 CYS 2 7.727 4.580 -1.289 15 HB3 CYS 2 HB1 CYS 2 7.688 2.923 -0.706 16 H CYS 3 HN CYS 3 4.888 2.183 0.772 17 HA CYS 3 HA CYS 3 5.270 3.946 3.083 18 HB2 CYS 3 HB2 CYS 3 3.371 1.689 2.528 19 HB3 CYS 3 HB1 CYS 3 3.609 2.330 4.148 20 H GLY 4 HN GLY 4 7.253 1.970 1.777 21 HA2 GLY 4 HA2 GLY 4 8.658 1.267 4.008 22 HA3 GLY 4 HA1 GLY 4 7.600 -0.095 3.711 23 H GLU 5 HN GLU 5 10.538 1.378 2.937 24 HA GLU 5 HA GLU 5 10.879 0.107 0.386 25 HB2 GLU 5 HB2 GLU 5 13.060 1.048 0.363 26 HB3 GLU 5 HB1 GLU 5 11.986 2.257 1.048 27 HG2 GLU 5 HG2 GLU 5 12.753 1.674 3.288 28 HG3 GLU 5 HG1 GLU 5 13.821 0.450 2.601 29 H GLY 6 HN GLY 6 12.029 -1.701 -0.092 30 HA2 GLY 6 HA2 GLY 6 13.136 -3.705 0.269 31 HA3 GLY 6 HA1 GLY 6 13.382 -3.234 1.945 32 H SER 7 HN SER 7 10.239 -2.722 1.330 33 HA SER 7 HA SER 7 9.482 -5.323 2.457 34 HB2 SER 7 HB2 SER 7 8.315 -2.579 2.939 35 HB3 SER 7 HB1 SER 7 7.733 -4.077 3.670 36 HG SER 7 HG SER 7 10.334 -3.955 4.121 37 H SER 8 HN SER 8 7.130 -5.844 2.122 38 HA SER 8 HA SER 8 6.120 -4.860 -0.458 39 HB2 SER 8 HB2 SER 8 7.175 -7.097 -0.720 40 HB3 SER 8 HB1 SER 8 6.063 -7.736 0.488 41 HG SER 8 HG SER 8 4.350 -7.290 -0.895 42 H CYS 9 HN CYS 9 5.439 -3.929 2.068 43 HA CYS 9 HA CYS 9 2.863 -5.070 2.776 44 HB2 CYS 9 HB2 CYS 9 3.238 -3.062 4.506 45 HB3 CYS 9 HB1 CYS 9 3.957 -4.657 4.722 46 HA PRO 10 HA PRO 10 1.076 -1.373 0.893 47 HB2 PRO 10 HB2 PRO 10 -1.078 -2.411 -0.200 48 HB3 PRO 10 HB1 PRO 10 0.504 -2.654 -0.942 49 HG2 PRO 10 HG2 PRO 10 -1.114 -4.533 0.716 50 HG3 PRO 10 HG1 PRO 10 -0.122 -4.862 -0.713 51 HD2 PRO 10 HD2 PRO 10 0.668 -5.227 1.947 52 HD3 PRO 10 HD1 PRO 10 1.748 -5.162 0.546 53 H LYS 11 HN LYS 11 -0.931 -0.275 1.299 54 HA LYS 11 HA LYS 11 -2.370 -1.276 3.655 55 HB2 LYS 11 HB2 LYS 11 -1.387 1.524 3.114 56 HB3 LYS 11 HB1 LYS 11 -2.650 1.176 4.284 57 HG2 LYS 11 HG2 LYS 11 0.117 0.007 4.372 58 HG3 LYS 11 HG1 LYS 11 -0.414 1.411 5.296 59 HD2 LYS 11 HD2 LYS 11 -2.084 0.071 6.437 60 HD3 LYS 11 HD1 LYS 11 -1.653 -1.334 5.464 61 HE2 LYS 11 HE2 LYS 11 0.201 0.084 7.381 62 HE3 LYS 11 HE1 LYS 11 -0.674 -1.406 7.726 63 HZ1 LYS 11 HZ1 LYS 11 1.644 -1.770 7.028 64 HZ2 LYS 11 HZ2 LYS 11 1.286 -1.097 5.521 65 HZ3 LYS 11 HZ3 LYS 11 0.529 -2.529 6.007 66 H TYR 12 HN TYR 12 -4.554 -1.105 3.565 67 HA TYR 12 HA TYR 12 -5.658 0.213 1.182 68 HB2 TYR 12 HB2 TYR 12 -6.496 -2.361 2.475 69 HB3 TYR 12 HB1 TYR 12 -7.527 -1.488 1.357 70 HD1 TYR 12 HD1 TYR 12 -3.940 -2.571 1.447 71 HD2 TYR 12 HD2 TYR 12 -7.572 -2.348 -0.741 72 HE1 TYR 12 HE1 TYR 12 -2.871 -3.744 -0.421 73 HE2 TYR 12 HE2 TYR 12 -6.511 -3.514 -2.626 74 HH TYR 12 HH TYR 12 -3.500 -5.101 -2.356 75 H PHE 13 HN PHE 13 -7.586 1.248 1.380 76 HA PHE 13 HA PHE 13 -8.584 1.657 4.116 77 HB2 PHE 13 HB2 PHE 13 -7.592 3.669 2.974 78 HB3 PHE 13 HB1 PHE 13 -8.853 3.535 1.761 79 HD1 PHE 13 HD1 PHE 13 -8.014 4.549 5.117 80 HD2 PHE 13 HD2 PHE 13 -11.187 3.963 2.358 81 HE1 PHE 13 HE1 PHE 13 -9.484 5.912 6.531 82 HE2 PHE 13 HE2 PHE 13 -12.673 5.329 3.765 83 HZ PHE 13 HZ PHE 13 -11.820 6.308 5.861 84 H ARG 14 HN ARG 14 -10.395 0.569 4.392 85 HA ARG 14 HA ARG 14 -12.314 -0.580 4.005 86 HB2 ARG 14 HB2 ARG 14 -12.464 1.232 1.596 87 HB3 ARG 14 HB1 ARG 14 -13.712 0.070 1.998 88 HG2 ARG 14 HG2 ARG 14 -14.111 1.223 4.119 89 HG3 ARG 14 HG1 ARG 14 -12.822 2.374 3.743 90 HD2 ARG 14 HD2 ARG 14 -14.930 3.405 3.212 91 HD3 ARG 14 HD1 ARG 14 -14.102 3.035 1.702 92 HE ARG 14 HE ARG 14 -16.330 1.437 2.807 93 HH11 ARG 14 HH11 ARG 14 -14.532 2.727 0.086 94 HH12 ARG 14 HH12 ARG 14 -15.629 2.090 -1.094 95 HH21 ARG 14 HH21 ARG 14 -17.765 0.599 1.243 96 HH22 ARG 14 HH22 ARG 14 -17.460 0.885 -0.440 97 H ASN 15 HN ASN 15 -11.389 -0.127 0.639 98 HA ASN 15 HA ASN 15 -10.122 -2.700 0.498 99 HB2 ASN 15 HB2 ASN 15 -12.613 -3.109 0.240 100 HB3 ASN 15 HB1 ASN 15 -12.511 -2.212 -1.266 101 HD21 ASN 15 HD21 ASN 15 -10.084 -4.384 0.032 102 HD22 ASN 15 HD22 ASN 15 -10.201 -5.560 -1.229 103 H SER 16 HN SER 16 -9.660 0.223 0.023 104 HA SER 16 HA SER 16 -8.820 0.066 -2.803 105 HB2 SER 16 HB2 SER 16 -9.385 2.509 -1.098 106 HB3 SER 16 HB1 SER 16 -8.855 2.541 -2.779 107 HG SER 16 HG SER 16 -10.866 1.081 -3.003 108 H GLN 17 HN GLN 17 -6.676 -0.105 -3.115 109 HA GLN 17 HA GLN 17 -4.878 -0.059 -0.909 110 HB2 GLN 17 HB2 GLN 17 -4.551 -1.404 -3.019 111 HB3 GLN 17 HB1 GLN 17 -4.113 0.099 -3.827 112 HG2 GLN 17 HG2 GLN 17 -2.346 0.391 -2.069 113 HG3 GLN 17 HG1 GLN 17 -2.688 -1.251 -1.554 114 HE21 GLN 17 HE21 GLN 17 -2.181 -2.983 -3.017 115 HE22 GLN 17 HE22 GLN 17 -1.023 -2.748 -4.275 116 H ILE 18 HN ILE 18 -4.112 1.673 0.059 117 HA ILE 18 HA ILE 18 -4.279 4.230 -1.326 118 HB ILE 18 HB ILE 18 -3.739 5.149 1.010 119 HG12 ILE 18 HG12 ILE 18 -4.766 2.426 1.795 120 HG13 ILE 18 HG11 ILE 18 -3.098 2.942 1.980 121 HG21 ILE 18 HG21 ILE 18 -6.348 3.765 0.433 122 HG22 ILE 18 HG22 ILE 18 -5.884 5.381 -0.100 123 HG23 ILE 18 HG23 ILE 18 -6.114 5.051 1.617 124 HD11 ILE 18 HD11 ILE 18 -5.492 4.168 3.305 125 HD12 ILE 18 HD12 ILE 18 -3.816 4.677 3.521 126 HD13 ILE 18 HD13 ILE 18 -4.330 3.077 4.058 127 H CYS 19 HN CYS 19 -1.974 1.979 -0.153 128 HA CYS 19 HA CYS 19 0.051 3.259 -1.661 129 HB2 CYS 19 HB2 CYS 19 1.592 3.885 -0.014 130 HB3 CYS 19 HB1 CYS 19 0.068 4.594 0.491 131 H HIS 20 HN HIS 20 2.093 2.053 -1.506 132 HA HIS 20 HA HIS 20 1.771 -0.674 -0.510 133 HB2 HIS 20 HB2 HIS 20 2.746 -1.630 -2.489 134 HB3 HIS 20 HB1 HIS 20 1.360 -0.671 -2.967 135 HD1 HIS 20 HD1 HIS 20 4.812 -1.262 -3.795 136 HD2 HIS 20 HD2 HIS 20 2.216 1.972 -3.987 137 HE1 HIS 20 HE1 HIS 20 5.876 0.366 -5.390 138 HE2 HIS 20 HE2 HIS 20 4.253 2.286 -5.550 139 H CYS 21 HN CYS 21 3.923 -1.759 -0.368 140 HA CYS 21 HA CYS 21 5.861 0.193 0.619 141 HB2 CYS 21 HB2 CYS 21 5.390 -2.720 1.048 142 HB3 CYS 21 HB1 CYS 21 7.006 -2.094 1.310 143 H CYS 22 HN CYS 22 7.706 0.584 -0.329 144 HA CYS 22 HA CYS 22 8.039 0.096 -3.052 145 HB2 CYS 22 HB2 CYS 22 9.330 1.621 -0.992 146 HB3 CYS 22 HB1 CYS 22 10.538 0.839 -2.000 147 HN1 NH2 23 HN1 NH2 23 9.616 -1.329 -0.260 148 HN2 NH2 23 HN2 NH2 23 10.368 -2.623 -1.117 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 2.686 6.494 -4.785 2 H2 MET 1 HT2 MET 1 2.301 4.922 -4.302 3 H3 MET 1 HT3 MET 1 3.876 5.297 -4.776 4 HA MET 1 HA MET 1 4.158 6.748 -2.901 5 HB2 MET 1 HB2 MET 1 1.772 7.406 -2.738 6 HB3 MET 1 HB1 MET 1 1.397 5.811 -2.103 7 HG2 MET 1 HG2 MET 1 1.541 7.397 -0.309 8 HG3 MET 1 HG1 MET 1 2.862 6.241 -0.192 9 HE1 MET 1 HE1 MET 1 4.475 9.517 1.203 10 HE2 MET 1 HE2 MET 1 4.176 7.804 1.497 11 HE3 MET 1 HE3 MET 1 2.825 8.936 1.433 12 H CYS 2 HN CYS 2 5.685 5.620 -1.958 13 HA CYS 2 HA CYS 2 5.223 2.842 -1.221 14 HB2 CYS 2 HB2 CYS 2 7.712 4.529 -1.292 15 HB3 CYS 2 HB1 CYS 2 7.674 2.875 -0.705 16 H CYS 3 HN CYS 3 4.948 2.138 0.763 17 HA CYS 3 HA CYS 3 5.292 4.022 2.993 18 HB2 CYS 3 HB2 CYS 3 3.349 1.778 2.544 19 HB3 CYS 3 HB1 CYS 3 3.626 2.462 4.141 20 H GLY 4 HN GLY 4 7.214 1.955 1.751 21 HA2 GLY 4 HA2 GLY 4 8.630 1.342 4.001 22 HA3 GLY 4 HA1 GLY 4 7.554 -0.022 3.772 23 H GLU 5 HN GLU 5 10.454 1.472 2.829 24 HA GLU 5 HA GLU 5 10.783 0.008 0.397 25 HB2 GLU 5 HB2 GLU 5 12.922 0.995 0.249 26 HB3 GLU 5 HB1 GLU 5 11.870 2.218 0.942 27 HG2 GLU 5 HG2 GLU 5 12.752 1.744 3.155 28 HG3 GLU 5 HG1 GLU 5 13.792 0.490 2.477 29 H GLY 6 HN GLY 6 12.066 -1.771 0.023 30 HA2 GLY 6 HA2 GLY 6 13.150 -3.748 0.516 31 HA3 GLY 6 HA1 GLY 6 13.349 -3.190 2.170 32 H SER 7 HN SER 7 10.188 -2.834 1.274 33 HA SER 7 HA SER 7 9.426 -5.448 2.355 34 HB2 SER 7 HB2 SER 7 8.333 -2.738 3.105 35 HB3 SER 7 HB1 SER 7 7.673 -4.282 3.660 36 HG SER 7 HG SER 7 10.377 -4.027 4.046 37 H SER 8 HN SER 8 7.090 -5.960 1.946 38 HA SER 8 HA SER 8 6.153 -4.761 -0.574 39 HB2 SER 8 HB2 SER 8 7.124 -7.111 -0.751 40 HB3 SER 8 HB1 SER 8 5.745 -7.652 0.202 41 HG SER 8 HG SER 8 5.673 -6.351 -2.324 42 H CYS 9 HN CYS 9 5.480 -4.057 2.127 43 HA CYS 9 HA CYS 9 2.862 -5.106 2.739 44 HB2 CYS 9 HB2 CYS 9 3.235 -3.117 4.489 45 HB3 CYS 9 HB1 CYS 9 3.959 -4.710 4.689 46 HA PRO 10 HA PRO 10 1.084 -1.389 0.875 47 HB2 PRO 10 HB2 PRO 10 -1.073 -2.401 -0.222 48 HB3 PRO 10 HB1 PRO 10 0.512 -2.684 -0.947 49 HG2 PRO 10 HG2 PRO 10 -1.163 -4.514 0.709 50 HG3 PRO 10 HG1 PRO 10 -0.146 -4.878 -0.694 51 HD2 PRO 10 HD2 PRO 10 0.577 -5.199 2.000 52 HD3 PRO 10 HD1 PRO 10 1.678 -5.219 0.613 53 H LYS 11 HN LYS 11 -0.893 -0.237 1.290 54 HA LYS 11 HA LYS 11 -2.290 -1.170 3.708 55 HB2 LYS 11 HB2 LYS 11 -1.465 1.667 3.038 56 HB3 LYS 11 HB1 LYS 11 -2.460 1.206 4.408 57 HG2 LYS 11 HG2 LYS 11 -0.610 -0.078 5.338 58 HG3 LYS 11 HG1 LYS 11 0.382 0.349 3.948 59 HD2 LYS 11 HD2 LYS 11 0.928 1.763 5.841 60 HD3 LYS 11 HD1 LYS 11 0.210 2.716 4.544 61 HE2 LYS 11 HE2 LYS 11 -1.940 2.691 5.715 62 HE3 LYS 11 HE1 LYS 11 -1.235 1.718 7.005 63 HZ1 LYS 11 HZ1 LYS 11 -1.332 4.070 7.578 64 HZ2 LYS 11 HZ2 LYS 11 -0.354 4.449 6.252 65 HZ3 LYS 11 HZ3 LYS 11 0.266 3.518 7.516 66 H TYR 12 HN TYR 12 -4.464 -1.147 3.560 67 HA TYR 12 HA TYR 12 -5.619 0.221 1.227 68 HB2 TYR 12 HB2 TYR 12 -6.343 -2.434 2.426 69 HB3 TYR 12 HB1 TYR 12 -7.454 -1.545 1.398 70 HD1 TYR 12 HD1 TYR 12 -3.846 -2.538 1.315 71 HD2 TYR 12 HD2 TYR 12 -7.536 -2.243 -0.761 72 HE1 TYR 12 HE1 TYR 12 -2.808 -3.570 -0.654 73 HE2 TYR 12 HE2 TYR 12 -6.510 -3.265 -2.745 74 HH TYR 12 HH TYR 12 -4.314 -3.592 -3.727 75 H PHE 13 HN PHE 13 -7.490 1.290 1.470 76 HA PHE 13 HA PHE 13 -8.559 1.533 4.204 77 HB2 PHE 13 HB2 PHE 13 -7.661 3.624 3.073 78 HB3 PHE 13 HB1 PHE 13 -8.959 3.456 1.899 79 HD1 PHE 13 HD1 PHE 13 -11.342 3.535 2.733 80 HD2 PHE 13 HD2 PHE 13 -8.009 4.653 5.117 81 HE1 PHE 13 HE1 PHE 13 -12.839 4.791 4.225 82 HE2 PHE 13 HE2 PHE 13 -9.495 5.908 6.613 83 HZ PHE 13 HZ PHE 13 -11.915 5.980 6.173 84 H ARG 14 HN ARG 14 -10.330 0.347 4.431 85 HA ARG 14 HA ARG 14 -12.183 -0.887 3.977 86 HB2 ARG 14 HB2 ARG 14 -12.384 1.183 1.815 87 HB3 ARG 14 HB1 ARG 14 -13.508 -0.162 1.867 88 HG2 ARG 14 HG2 ARG 14 -14.380 0.537 3.966 89 HG3 ARG 14 HG1 ARG 14 -13.077 1.711 4.194 90 HD2 ARG 14 HD2 ARG 14 -15.163 2.816 3.532 91 HD3 ARG 14 HD1 ARG 14 -13.917 3.021 2.306 92 HE ARG 14 HE ARG 14 -15.084 1.435 0.930 93 HH11 ARG 14 HH11 ARG 14 -16.837 2.474 3.776 94 HH12 ARG 14 HH12 ARG 14 -18.387 2.058 3.124 95 HH21 ARG 14 HH21 ARG 14 -17.112 0.876 0.073 96 HH22 ARG 14 HH22 ARG 14 -18.543 1.137 1.021 97 H ASN 15 HN ASN 15 -11.299 -0.186 0.643 98 HA ASN 15 HA ASN 15 -10.056 -2.757 0.290 99 HB2 ASN 15 HB2 ASN 15 -12.546 -3.113 0.068 100 HB3 ASN 15 HB1 ASN 15 -12.486 -2.074 -1.347 101 HD21 ASN 15 HD21 ASN 15 -9.980 -4.340 -0.446 102 HD22 ASN 15 HD22 ASN 15 -10.214 -5.415 -1.779 103 H SER 16 HN SER 16 -9.590 0.217 0.010 104 HA SER 16 HA SER 16 -8.696 0.180 -2.801 105 HB2 SER 16 HB2 SER 16 -9.501 2.515 -1.053 106 HB3 SER 16 HB1 SER 16 -8.738 2.691 -2.634 107 HG SER 16 HG SER 16 -10.527 1.435 -3.476 108 H GLN 17 HN GLN 17 -6.571 0.134 -3.097 109 HA GLN 17 HA GLN 17 -4.804 0.088 -0.860 110 HB2 GLN 17 HB2 GLN 17 -4.454 -1.182 -3.005 111 HB3 GLN 17 HB1 GLN 17 -4.034 0.348 -3.770 112 HG2 GLN 17 HG2 GLN 17 -2.265 0.607 -2.012 113 HG3 GLN 17 HG1 GLN 17 -2.589 -1.052 -1.542 114 HE21 GLN 17 HE21 GLN 17 -2.096 -2.741 -3.066 115 HE22 GLN 17 HE22 GLN 17 -0.944 -2.465 -4.319 116 H ILE 18 HN ILE 18 -4.166 1.828 0.200 117 HA ILE 18 HA ILE 18 -4.248 4.404 -1.135 118 HB ILE 18 HB ILE 18 -3.756 5.299 1.195 119 HG12 ILE 18 HG12 ILE 18 -4.678 2.545 2.003 120 HG13 ILE 18 HG11 ILE 18 -3.015 3.100 2.131 121 HG21 ILE 18 HG21 ILE 18 -6.111 5.118 1.839 122 HG22 ILE 18 HG22 ILE 18 -6.320 3.815 0.668 123 HG23 ILE 18 HG23 ILE 18 -5.928 5.443 0.116 124 HD11 ILE 18 HD11 ILE 18 -3.726 4.833 3.684 125 HD12 ILE 18 HD12 ILE 18 -4.174 3.223 4.251 126 HD13 ILE 18 HD13 ILE 18 -5.393 4.276 3.533 127 H CYS 19 HN CYS 19 -1.994 2.060 -0.152 128 HA CYS 19 HA CYS 19 0.012 3.310 -1.664 129 HB2 CYS 19 HB2 CYS 19 1.640 3.882 -0.057 130 HB3 CYS 19 HB1 CYS 19 0.158 4.683 0.432 131 H HIS 20 HN HIS 20 2.114 2.103 -1.420 132 HA HIS 20 HA HIS 20 1.730 -0.658 -0.536 133 HB2 HIS 20 HB2 HIS 20 2.811 -1.500 -2.572 134 HB3 HIS 20 HB1 HIS 20 1.300 -0.690 -2.934 135 HD1 HIS 20 HD1 HIS 20 4.794 -0.792 -3.892 136 HD2 HIS 20 HD2 HIS 20 1.727 2.000 -3.997 137 HE1 HIS 20 HE1 HIS 20 5.551 0.985 -5.503 138 HE2 HIS 20 HE2 HIS 20 3.646 2.627 -5.610 139 H CYS 21 HN CYS 21 3.878 -1.791 -0.427 140 HA CYS 21 HA CYS 21 5.838 0.129 0.587 141 HB2 CYS 21 HB2 CYS 21 5.323 -2.770 1.032 142 HB3 CYS 21 HB1 CYS 21 6.960 -2.184 1.254 143 H CYS 22 HN CYS 22 7.742 0.440 -0.277 144 HA CYS 22 HA CYS 22 8.048 0.071 -3.030 145 HB2 CYS 22 HB2 CYS 22 9.324 1.521 -0.926 146 HB3 CYS 22 HB1 CYS 22 10.554 0.730 -1.900 147 HN1 NH2 23 HN1 NH2 23 9.734 -1.410 -0.314 148 HN2 NH2 23 HN2 NH2 23 10.421 -2.706 -1.219 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 2.298 5.132 -4.246 2 H2 MET 1 HT2 MET 1 3.880 5.597 -4.615 3 H3 MET 1 HT3 MET 1 2.650 6.753 -4.575 4 HA MET 1 HA MET 1 4.020 6.899 -2.609 5 HB2 MET 1 HB2 MET 1 1.680 7.508 -2.391 6 HB3 MET 1 HB1 MET 1 1.239 5.828 -2.127 7 HG2 MET 1 HG2 MET 1 1.283 7.148 -0.065 8 HG3 MET 1 HG1 MET 1 2.399 5.788 -0.038 9 HE1 MET 1 HE1 MET 1 4.345 8.358 2.117 10 HE2 MET 1 HE2 MET 1 3.751 6.702 1.989 11 HE3 MET 1 HE3 MET 1 2.610 8.041 2.112 12 H CYS 2 HN CYS 2 5.616 5.717 -1.866 13 HA CYS 2 HA CYS 2 5.185 2.917 -1.198 14 HB2 CYS 2 HB2 CYS 2 7.649 4.617 -1.380 15 HB3 CYS 2 HB1 CYS 2 7.671 3.001 -0.691 16 H CYS 3 HN CYS 3 4.857 2.193 0.753 17 HA CYS 3 HA CYS 3 5.220 4.019 3.021 18 HB2 CYS 3 HB2 CYS 3 3.346 1.717 2.553 19 HB3 CYS 3 HB1 CYS 3 3.585 2.428 4.144 20 H GLY 4 HN GLY 4 7.224 2.066 1.752 21 HA2 GLY 4 HA2 GLY 4 8.692 1.483 3.950 22 HA3 GLY 4 HA1 GLY 4 7.629 0.101 3.798 23 H GLU 5 HN GLU 5 10.532 1.498 2.834 24 HA GLU 5 HA GLU 5 10.854 -0.031 0.419 25 HB2 GLU 5 HB2 GLU 5 13.032 0.899 0.295 26 HB3 GLU 5 HB1 GLU 5 11.977 2.172 0.893 27 HG2 GLU 5 HG2 GLU 5 12.736 1.658 3.189 28 HG3 GLU 5 HG1 GLU 5 13.871 0.496 2.507 29 H GLY 6 HN GLY 6 12.067 -1.878 0.144 30 HA2 GLY 6 HA2 GLY 6 13.167 -3.823 0.758 31 HA3 GLY 6 HA1 GLY 6 13.338 -3.178 2.384 32 H SER 7 HN SER 7 10.215 -2.834 1.402 33 HA SER 7 HA SER 7 9.371 -5.361 2.627 34 HB2 SER 7 HB2 SER 7 8.252 -2.593 3.111 35 HB3 SER 7 HB1 SER 7 7.608 -4.088 3.793 36 HG SER 7 HG SER 7 9.502 -4.350 4.954 37 H SER 8 HN SER 8 7.111 -5.935 2.095 38 HA SER 8 HA SER 8 6.234 -4.812 -0.479 39 HB2 SER 8 HB2 SER 8 7.330 -7.054 -0.727 40 HB3 SER 8 HB1 SER 8 6.078 -7.732 0.309 41 HG SER 8 HG SER 8 4.609 -6.687 -1.360 42 H CYS 9 HN CYS 9 5.390 -3.993 2.032 43 HA CYS 9 HA CYS 9 2.795 -5.166 2.580 44 HB2 CYS 9 HB2 CYS 9 3.029 -3.104 4.291 45 HB3 CYS 9 HB1 CYS 9 3.747 -4.687 4.586 46 HA PRO 10 HA PRO 10 0.995 -1.526 0.597 47 HB2 PRO 10 HB2 PRO 10 -1.091 -2.606 -0.575 48 HB3 PRO 10 HB1 PRO 10 0.521 -2.803 -1.264 49 HG2 PRO 10 HG2 PRO 10 -1.108 -4.735 0.319 50 HG3 PRO 10 HG1 PRO 10 -0.052 -5.030 -1.072 51 HD2 PRO 10 HD2 PRO 10 0.645 -5.395 1.616 52 HD3 PRO 10 HD1 PRO 10 1.776 -5.293 0.257 53 H LYS 11 HN LYS 11 -0.817 -0.327 1.165 54 HA LYS 11 HA LYS 11 -2.239 -1.367 3.525 55 HB2 LYS 11 HB2 LYS 11 -1.380 1.485 2.968 56 HB3 LYS 11 HB1 LYS 11 -2.311 0.958 4.361 57 HG2 LYS 11 HG2 LYS 11 -0.454 -0.352 5.171 58 HG3 LYS 11 HG1 LYS 11 0.473 0.014 3.719 59 HD2 LYS 11 HD2 LYS 11 1.238 1.406 5.527 60 HD3 LYS 11 HD1 LYS 11 0.421 2.404 4.324 61 HE2 LYS 11 HE2 LYS 11 -0.247 3.093 6.541 62 HE3 LYS 11 HE1 LYS 11 -1.619 2.353 5.717 63 HZ1 LYS 11 HZ1 LYS 11 0.118 1.040 7.737 64 HZ2 LYS 11 HZ2 LYS 11 -1.166 0.298 6.929 65 HZ3 LYS 11 HZ3 LYS 11 -1.464 1.583 7.984 66 H TYR 12 HN TYR 12 -4.420 -1.264 3.454 67 HA TYR 12 HA TYR 12 -5.589 0.176 1.170 68 HB2 TYR 12 HB2 TYR 12 -6.307 -2.496 2.317 69 HB3 TYR 12 HB1 TYR 12 -7.453 -1.570 1.363 70 HD1 TYR 12 HD1 TYR 12 -3.873 -2.643 1.124 71 HD2 TYR 12 HD2 TYR 12 -7.604 -2.118 -0.834 72 HE1 TYR 12 HE1 TYR 12 -2.923 -3.606 -0.922 73 HE2 TYR 12 HE2 TYR 12 -6.665 -3.067 -2.894 74 HH TYR 12 HH TYR 12 -3.717 -4.732 -2.972 75 H PHE 13 HN PHE 13 -7.364 1.337 1.462 76 HA PHE 13 HA PHE 13 -8.349 1.672 4.205 77 HB2 PHE 13 HB2 PHE 13 -7.506 3.682 2.958 78 HB3 PHE 13 HB1 PHE 13 -8.788 3.439 1.785 79 HD1 PHE 13 HD1 PHE 13 -7.890 4.712 5.020 80 HD2 PHE 13 HD2 PHE 13 -11.149 3.739 2.474 81 HE1 PHE 13 HE1 PHE 13 -9.372 6.103 6.398 82 HE2 PHE 13 HE2 PHE 13 -12.643 5.125 3.845 83 HZ PHE 13 HZ PHE 13 -11.758 6.313 5.813 84 H ARG 14 HN ARG 14 -10.009 0.360 4.550 85 HA ARG 14 HA ARG 14 -11.913 -0.846 4.295 86 HB2 ARG 14 HB2 ARG 14 -12.330 1.306 2.274 87 HB3 ARG 14 HB1 ARG 14 -13.404 -0.081 2.254 88 HG2 ARG 14 HG2 ARG 14 -14.279 1.867 3.539 89 HG3 ARG 14 HG1 ARG 14 -14.144 0.380 4.493 90 HD2 ARG 14 HD2 ARG 14 -12.028 1.181 5.440 91 HD3 ARG 14 HD1 ARG 14 -12.153 2.656 4.485 92 HE ARG 14 HE ARG 14 -14.415 2.797 5.857 93 HH11 ARG 14 HH11 ARG 14 -11.213 1.905 6.950 94 HH12 ARG 14 HH12 ARG 14 -11.453 2.516 8.554 95 HH21 ARG 14 HH21 ARG 14 -14.743 3.581 7.972 96 HH22 ARG 14 HH22 ARG 14 -13.471 3.450 9.148 97 H ASN 15 HN ASN 15 -11.224 -0.123 0.906 98 HA ASN 15 HA ASN 15 -10.040 -2.706 0.469 99 HB2 ASN 15 HB2 ASN 15 -12.571 -2.998 0.332 100 HB3 ASN 15 HB1 ASN 15 -12.494 -2.018 -1.122 101 HD21 ASN 15 HD21 ASN 15 -10.065 -4.316 -0.120 102 HD22 ASN 15 HD22 ASN 15 -10.310 -5.427 -1.414 103 H SER 16 HN SER 16 -9.619 0.300 0.168 104 HA SER 16 HA SER 16 -8.914 0.301 -2.700 105 HB2 SER 16 HB2 SER 16 -9.454 2.651 -0.859 106 HB3 SER 16 HB1 SER 16 -9.019 2.769 -2.564 107 HG SER 16 HG SER 16 -11.246 2.911 -2.393 108 H GLN 17 HN GLN 17 -6.783 0.242 -3.144 109 HA GLN 17 HA GLN 17 -4.899 0.143 -1.007 110 HB2 GLN 17 HB2 GLN 17 -4.653 -1.083 -3.201 111 HB3 GLN 17 HB1 GLN 17 -4.236 0.461 -3.938 112 HG2 GLN 17 HG2 GLN 17 -2.410 0.649 -2.220 113 HG3 GLN 17 HG1 GLN 17 -2.739 -1.022 -1.797 114 HE21 GLN 17 HE21 GLN 17 -2.287 -2.664 -3.383 115 HE22 GLN 17 HE22 GLN 17 -1.173 -2.355 -4.664 116 H ILE 18 HN ILE 18 -4.094 1.810 0.029 117 HA ILE 18 HA ILE 18 -4.217 4.435 -1.234 118 HB ILE 18 HB ILE 18 -3.665 5.269 1.101 119 HG12 ILE 18 HG12 ILE 18 -4.585 2.502 1.865 120 HG13 ILE 18 HG11 ILE 18 -2.918 3.046 1.972 121 HG21 ILE 18 HG21 ILE 18 -5.859 5.461 0.086 122 HG22 ILE 18 HG22 ILE 18 -6.008 5.081 1.800 123 HG23 ILE 18 HG23 ILE 18 -6.252 3.818 0.594 124 HD11 ILE 18 HD11 ILE 18 -3.585 4.734 3.591 125 HD12 ILE 18 HD12 ILE 18 -4.037 3.111 4.118 126 HD13 ILE 18 HD13 ILE 18 -5.259 4.195 3.456 127 H CYS 19 HN CYS 19 -1.986 2.034 -0.333 128 HA CYS 19 HA CYS 19 0.054 3.304 -1.785 129 HB2 CYS 19 HB2 CYS 19 1.639 3.861 -0.141 130 HB3 CYS 19 HB1 CYS 19 0.135 4.600 0.382 131 H HIS 20 HN HIS 20 2.141 2.092 -1.521 132 HA HIS 20 HA HIS 20 1.745 -0.680 -0.691 133 HB2 HIS 20 HB2 HIS 20 2.868 -1.504 -2.694 134 HB3 HIS 20 HB1 HIS 20 1.403 -0.638 -3.122 135 HD1 HIS 20 HD1 HIS 20 4.962 -0.815 -3.859 136 HD2 HIS 20 HD2 HIS 20 1.964 2.047 -4.130 137 HE1 HIS 20 HE1 HIS 20 5.861 0.962 -5.388 138 HE2 HIS 20 HE2 HIS 20 4.055 2.712 -5.502 139 H CYS 21 HN CYS 21 3.889 -1.787 -0.506 140 HA CYS 21 HA CYS 21 5.812 0.145 0.551 141 HB2 CYS 21 HB2 CYS 21 5.317 -2.765 0.979 142 HB3 CYS 21 HB1 CYS 21 6.922 -2.133 1.293 143 H CYS 22 HN CYS 22 7.621 0.581 -0.397 144 HA CYS 22 HA CYS 22 8.119 -0.005 -3.069 145 HB2 CYS 22 HB2 CYS 22 9.322 1.560 -0.957 146 HB3 CYS 22 HB1 CYS 22 10.550 0.801 -1.961 147 HN1 NH2 23 HN1 NH2 23 9.583 -1.276 -0.145 148 HN2 NH2 23 HN2 NH2 23 10.373 -2.608 -0.901 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 3.580 5.394 -4.610 2 H2 MET 1 HT2 MET 1 2.371 6.572 -4.547 3 H3 MET 1 HT3 MET 1 2.040 4.994 -4.047 4 HA MET 1 HA MET 1 3.947 6.841 -2.745 5 HB2 MET 1 HB2 MET 1 1.561 7.468 -2.465 6 HB3 MET 1 HB1 MET 1 1.236 5.867 -1.822 7 HG2 MET 1 HG2 MET 1 2.780 6.328 0.036 8 HG3 MET 1 HG1 MET 1 3.036 7.945 -0.610 9 HE1 MET 1 HE1 MET 1 0.051 8.629 -1.650 10 HE2 MET 1 HE2 MET 1 1.148 9.748 -0.841 11 HE3 MET 1 HE3 MET 1 -0.502 9.550 -0.252 12 H CYS 2 HN CYS 2 5.536 5.715 -1.878 13 HA CYS 2 HA CYS 2 5.132 2.922 -1.174 14 HB2 CYS 2 HB2 CYS 2 7.587 4.636 -1.376 15 HB3 CYS 2 HB1 CYS 2 7.613 3.000 -0.738 16 H CYS 3 HN CYS 3 4.959 2.162 0.792 17 HA CYS 3 HA CYS 3 5.393 3.981 3.062 18 HB2 CYS 3 HB2 CYS 3 3.432 1.737 2.645 19 HB3 CYS 3 HB1 CYS 3 3.737 2.450 4.225 20 H GLY 4 HN GLY 4 7.284 1.942 1.707 21 HA2 GLY 4 HA2 GLY 4 8.648 1.135 3.962 22 HA3 GLY 4 HA1 GLY 4 7.584 -0.191 3.542 23 H GLU 5 HN GLU 5 10.529 1.321 2.952 24 HA GLU 5 HA GLU 5 11.002 0.265 0.335 25 HB2 GLU 5 HB2 GLU 5 12.012 2.354 1.074 26 HB3 GLU 5 HB1 GLU 5 12.836 1.514 2.378 27 HG2 GLU 5 HG2 GLU 5 14.112 0.235 0.727 28 HG3 GLU 5 HG1 GLU 5 13.309 1.129 -0.565 29 H GLY 6 HN GLY 6 11.792 -1.666 -0.168 30 HA2 GLY 6 HA2 GLY 6 12.884 -3.697 0.049 31 HA3 GLY 6 HA1 GLY 6 13.408 -3.211 1.659 32 H SER 7 HN SER 7 10.133 -2.742 1.138 33 HA SER 7 HA SER 7 9.474 -5.212 2.577 34 HB2 SER 7 HB2 SER 7 8.265 -2.460 2.901 35 HB3 SER 7 HB1 SER 7 7.813 -3.904 3.814 36 HG SER 7 HG SER 7 10.201 -3.898 4.363 37 H SER 8 HN SER 8 7.236 -5.945 2.276 38 HA SER 8 HA SER 8 6.123 -5.118 -0.324 39 HB2 SER 8 HB2 SER 8 7.282 -7.372 -0.294 40 HB3 SER 8 HB1 SER 8 6.024 -7.919 0.812 41 HG SER 8 HG SER 8 4.662 -8.044 -0.790 42 H CYS 9 HN CYS 9 5.364 -3.945 2.039 43 HA CYS 9 HA CYS 9 2.803 -5.116 2.819 44 HB2 CYS 9 HB2 CYS 9 3.169 -3.038 4.486 45 HB3 CYS 9 HB1 CYS 9 3.852 -4.638 4.775 46 HA PRO 10 HA PRO 10 1.060 -1.442 0.834 47 HB2 PRO 10 HB2 PRO 10 -1.052 -2.486 -0.323 48 HB3 PRO 10 HB1 PRO 10 0.555 -2.725 -1.013 49 HG2 PRO 10 HG2 PRO 10 -1.120 -4.609 0.574 50 HG3 PRO 10 HG1 PRO 10 -0.057 -4.936 -0.805 51 HD2 PRO 10 HD2 PRO 10 0.599 -5.276 1.907 52 HD3 PRO 10 HD1 PRO 10 1.737 -5.253 0.552 53 H LYS 11 HN LYS 11 -0.870 -0.276 1.294 54 HA LYS 11 HA LYS 11 -2.310 -1.300 3.651 55 HB2 LYS 11 HB2 LYS 11 -1.502 1.562 3.084 56 HB3 LYS 11 HB1 LYS 11 -2.487 1.037 4.438 57 HG2 LYS 11 HG2 LYS 11 -0.587 -0.325 5.247 58 HG3 LYS 11 HG1 LYS 11 0.386 0.319 3.930 59 HD2 LYS 11 HD2 LYS 11 0.788 1.511 6.038 60 HD3 LYS 11 HD1 LYS 11 0.135 2.570 4.787 61 HE2 LYS 11 HE2 LYS 11 -2.072 2.438 5.781 62 HE3 LYS 11 HE1 LYS 11 -1.498 1.278 6.977 63 HZ1 LYS 11 HZ1 LYS 11 -0.043 2.967 7.878 64 HZ2 LYS 11 HZ2 LYS 11 -1.643 3.513 7.882 65 HZ3 LYS 11 HZ3 LYS 11 -0.561 4.082 6.716 66 H TYR 12 HN TYR 12 -4.511 -1.043 3.646 67 HA TYR 12 HA TYR 12 -5.644 0.193 1.234 68 HB2 TYR 12 HB2 TYR 12 -6.322 -2.428 2.504 69 HB3 TYR 12 HB1 TYR 12 -7.501 -1.568 1.528 70 HD1 TYR 12 HD1 TYR 12 -3.891 -2.541 1.264 71 HD2 TYR 12 HD2 TYR 12 -7.683 -2.253 -0.621 72 HE1 TYR 12 HE1 TYR 12 -2.953 -3.574 -0.756 73 HE2 TYR 12 HE2 TYR 12 -6.762 -3.277 -2.653 74 HH TYR 12 HH TYR 12 -3.820 -4.879 -2.735 75 H PHE 13 HN PHE 13 -7.523 1.251 1.412 76 HA PHE 13 HA PHE 13 -8.631 1.631 4.114 77 HB2 PHE 13 HB2 PHE 13 -7.632 3.653 2.965 78 HB3 PHE 13 HB1 PHE 13 -8.877 3.494 1.738 79 HD1 PHE 13 HD1 PHE 13 -11.264 3.777 2.388 80 HD2 PHE 13 HD2 PHE 13 -8.045 4.680 5.010 81 HE1 PHE 13 HE1 PHE 13 -12.773 5.156 3.755 82 HE2 PHE 13 HE2 PHE 13 -9.541 6.054 6.387 83 HZ PHE 13 HZ PHE 13 -11.912 6.296 5.763 84 H ARG 14 HN ARG 14 -10.420 0.465 4.310 85 HA ARG 14 HA ARG 14 -12.314 -0.696 3.858 86 HB2 ARG 14 HB2 ARG 14 -12.438 1.307 1.623 87 HB3 ARG 14 HB1 ARG 14 -13.614 0.014 1.748 88 HG2 ARG 14 HG2 ARG 14 -14.342 0.814 3.907 89 HG3 ARG 14 HG1 ARG 14 -13.067 2.040 3.925 90 HD2 ARG 14 HD2 ARG 14 -15.130 3.113 3.330 91 HD3 ARG 14 HD1 ARG 14 -14.112 3.053 1.895 92 HE ARG 14 HE ARG 14 -15.524 1.314 1.028 93 HH11 ARG 14 HH11 ARG 14 -16.734 2.883 3.915 94 HH12 ARG 14 HH12 ARG 14 -18.385 2.453 3.607 95 HH21 ARG 14 HH21 ARG 14 -17.701 0.733 0.633 96 HH22 ARG 14 HH22 ARG 14 -18.933 1.232 1.748 97 H ASN 15 HN ASN 15 -11.297 -0.130 0.528 98 HA ASN 15 HA ASN 15 -10.022 -2.694 0.333 99 HB2 ASN 15 HB2 ASN 15 -12.511 -3.096 0.007 100 HB3 ASN 15 HB1 ASN 15 -12.369 -2.161 -1.471 101 HD21 ASN 15 HD21 ASN 15 -9.902 -4.325 -0.253 102 HD22 ASN 15 HD22 ASN 15 -10.035 -5.486 -1.522 103 H SER 16 HN SER 16 -9.549 0.229 -0.005 104 HA SER 16 HA SER 16 -8.665 0.230 -2.824 105 HB2 SER 16 HB2 SER 16 -9.167 2.602 -1.001 106 HB3 SER 16 HB1 SER 16 -8.734 2.675 -2.709 107 HG SER 16 HG SER 16 -10.971 1.160 -2.070 108 H GLN 17 HN GLN 17 -6.505 0.021 -3.085 109 HA GLN 17 HA GLN 17 -4.727 0.033 -0.864 110 HB2 GLN 17 HB2 GLN 17 -4.348 -1.226 -3.010 111 HB3 GLN 17 HB1 GLN 17 -3.962 0.312 -3.777 112 HG2 GLN 17 HG2 GLN 17 -2.192 0.604 -2.018 113 HG3 GLN 17 HG1 GLN 17 -2.483 -1.062 -1.553 114 HE21 GLN 17 HE21 GLN 17 -1.990 -2.731 -3.112 115 HE22 GLN 17 HE22 GLN 17 -0.825 -2.433 -4.350 116 H ILE 18 HN ILE 18 -4.066 1.768 0.187 117 HA ILE 18 HA ILE 18 -4.223 4.364 -1.126 118 HB ILE 18 HB ILE 18 -3.701 5.213 1.241 119 HG12 ILE 18 HG12 ILE 18 -4.710 2.459 1.941 120 HG13 ILE 18 HG11 ILE 18 -3.041 2.976 2.133 121 HG21 ILE 18 HG21 ILE 18 -6.295 3.828 0.618 122 HG22 ILE 18 HG22 ILE 18 -5.841 5.461 0.129 123 HG23 ILE 18 HG23 ILE 18 -6.073 5.085 1.835 124 HD11 ILE 18 HD11 ILE 18 -5.419 4.192 3.498 125 HD12 ILE 18 HD12 ILE 18 -3.729 4.632 3.748 126 HD13 ILE 18 HD13 ILE 18 -4.303 3.033 4.216 127 H CYS 19 HN CYS 19 -1.937 2.066 -0.133 128 HA CYS 19 HA CYS 19 0.085 3.367 -1.585 129 HB2 CYS 19 HB2 CYS 19 1.637 3.983 0.049 130 HB3 CYS 19 HB1 CYS 19 0.117 4.667 0.602 131 H HIS 20 HN HIS 20 2.133 2.137 -1.421 132 HA HIS 20 HA HIS 20 1.727 -0.619 -0.533 133 HB2 HIS 20 HB2 HIS 20 2.754 -1.489 -2.545 134 HB3 HIS 20 HB1 HIS 20 1.332 -0.553 -2.964 135 HD1 HIS 20 HD1 HIS 20 4.811 -0.978 -3.806 136 HD2 HIS 20 HD2 HIS 20 2.060 2.125 -3.948 137 HE1 HIS 20 HE1 HIS 20 5.804 0.730 -5.362 138 HE2 HIS 20 HE2 HIS 20 4.016 2.493 -5.602 139 H CYS 21 HN CYS 21 3.852 -1.768 -0.397 140 HA CYS 21 HA CYS 21 5.823 0.126 0.633 141 HB2 CYS 21 HB2 CYS 21 5.248 -2.754 1.061 142 HB3 CYS 21 HB1 CYS 21 6.902 -2.221 1.283 143 H CYS 22 HN CYS 22 7.578 0.587 -0.380 144 HA CYS 22 HA CYS 22 7.945 0.095 -3.075 145 HB2 CYS 22 HB2 CYS 22 9.217 1.600 -0.998 146 HB3 CYS 22 HB1 CYS 22 10.439 0.824 -1.993 147 HN1 NH2 23 HN1 NH2 23 9.487 -1.386 -0.297 148 HN2 NH2 23 HN2 NH2 23 10.264 -2.654 -1.175 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 3.666 5.364 -4.622 2 H2 MET 1 HT2 MET 1 2.526 6.607 -4.546 3 H3 MET 1 HT3 MET 1 2.114 5.047 -4.037 4 HA MET 1 HA MET 1 4.129 6.800 -2.764 5 HB2 MET 1 HB2 MET 1 1.799 7.548 -2.416 6 HB3 MET 1 HB1 MET 1 1.384 5.949 -1.819 7 HG2 MET 1 HG2 MET 1 1.671 7.393 0.043 8 HG3 MET 1 HG1 MET 1 3.018 6.261 0.011 9 HE1 MET 1 HE1 MET 1 3.301 10.703 -1.212 10 HE2 MET 1 HE2 MET 1 1.858 9.959 -0.526 11 HE3 MET 1 HE3 MET 1 2.391 9.518 -2.147 12 H CYS 2 HN CYS 2 5.663 5.652 -1.853 13 HA CYS 2 HA CYS 2 5.198 2.861 -1.173 14 HB2 CYS 2 HB2 CYS 2 7.685 4.546 -1.272 15 HB3 CYS 2 HB1 CYS 2 7.668 2.904 -0.651 16 H CYS 3 HN CYS 3 4.852 2.141 0.787 17 HA CYS 3 HA CYS 3 5.235 3.967 3.051 18 HB2 CYS 3 HB2 CYS 3 3.313 1.714 2.559 19 HB3 CYS 3 HB1 CYS 3 3.601 2.339 4.178 20 H GLY 4 HN GLY 4 7.186 1.944 1.763 21 HA2 GLY 4 HA2 GLY 4 8.599 1.297 4.018 22 HA3 GLY 4 HA1 GLY 4 7.561 -0.081 3.718 23 H GLU 5 HN GLU 5 10.489 1.387 3.013 24 HA GLU 5 HA GLU 5 10.934 0.153 0.463 25 HB2 GLU 5 HB2 GLU 5 12.030 2.244 1.009 26 HB3 GLU 5 HB1 GLU 5 12.793 1.512 2.412 27 HG2 GLU 5 HG2 GLU 5 14.055 0.025 0.935 28 HG3 GLU 5 HG1 GLU 5 13.305 0.793 -0.463 29 H GLY 6 HN GLY 6 11.844 -1.774 0.051 30 HA2 GLY 6 HA2 GLY 6 12.955 -3.776 0.433 31 HA3 GLY 6 HA1 GLY 6 13.306 -3.240 2.071 32 H SER 7 HN SER 7 10.090 -2.843 1.230 33 HA SER 7 HA SER 7 9.325 -5.363 2.517 34 HB2 SER 7 HB2 SER 7 8.171 -2.612 2.982 35 HB3 SER 7 HB1 SER 7 7.579 -4.106 3.716 36 HG SER 7 HG SER 7 10.111 -4.094 4.253 37 H SER 8 HN SER 8 7.026 -5.946 2.101 38 HA SER 8 HA SER 8 6.095 -4.950 -0.509 39 HB2 SER 8 HB2 SER 8 7.114 -7.271 -0.539 40 HB3 SER 8 HB1 SER 8 5.781 -7.788 0.491 41 HG SER 8 HG SER 8 4.360 -7.019 -1.203 42 H CYS 9 HN CYS 9 5.373 -3.991 2.054 43 HA CYS 9 HA CYS 9 2.751 -5.046 2.695 44 HB2 CYS 9 HB2 CYS 9 3.103 -2.987 4.378 45 HB3 CYS 9 HB1 CYS 9 3.780 -4.587 4.667 46 HA PRO 10 HA PRO 10 1.016 -1.384 0.713 47 HB2 PRO 10 HB2 PRO 10 -1.098 -2.447 -0.427 48 HB3 PRO 10 HB1 PRO 10 0.506 -2.681 -1.125 49 HG2 PRO 10 HG2 PRO 10 -1.144 -4.571 0.484 50 HG3 PRO 10 HG1 PRO 10 -0.087 -4.894 -0.899 51 HD2 PRO 10 HD2 PRO 10 0.581 -5.215 1.806 52 HD3 PRO 10 HD1 PRO 10 1.714 -5.186 0.446 53 H LYS 11 HN LYS 11 -0.806 -0.174 1.244 54 HA LYS 11 HA LYS 11 -2.252 -1.170 3.607 55 HB2 LYS 11 HB2 LYS 11 -1.454 1.681 2.988 56 HB3 LYS 11 HB1 LYS 11 -2.380 1.163 4.386 57 HG2 LYS 11 HG2 LYS 11 0.462 0.397 3.770 58 HG3 LYS 11 HG1 LYS 11 -0.056 1.572 4.970 59 HD2 LYS 11 HD2 LYS 11 -0.777 -1.358 4.999 60 HD3 LYS 11 HD1 LYS 11 0.526 -0.634 5.939 61 HE2 LYS 11 HE2 LYS 11 -1.097 0.777 7.107 62 HE3 LYS 11 HE1 LYS 11 -2.399 0.077 6.150 63 HZ1 LYS 11 HZ1 LYS 11 -0.639 -1.467 7.972 64 HZ2 LYS 11 HZ2 LYS 11 -1.992 -2.053 7.143 65 HZ3 LYS 11 HZ3 LYS 11 -2.185 -0.914 8.375 66 H TYR 12 HN TYR 12 -4.455 -0.937 3.597 67 HA TYR 12 HA TYR 12 -5.602 0.304 1.191 68 HB2 TYR 12 HB2 TYR 12 -6.332 -2.311 2.470 69 HB3 TYR 12 HB1 TYR 12 -7.410 -1.467 1.371 70 HD1 TYR 12 HD1 TYR 12 -7.345 -2.030 -0.836 71 HD2 TYR 12 HD2 TYR 12 -3.871 -2.658 1.520 72 HE1 TYR 12 HE1 TYR 12 -6.243 -3.105 -2.753 73 HE2 TYR 12 HE2 TYR 12 -2.766 -3.731 -0.380 74 HH TYR 12 HH TYR 12 -3.367 -4.899 -2.441 75 H PHE 13 HN PHE 13 -7.467 1.372 1.386 76 HA PHE 13 HA PHE 13 -8.515 1.767 4.100 77 HB2 PHE 13 HB2 PHE 13 -7.725 3.762 2.720 78 HB3 PHE 13 HB1 PHE 13 -9.075 3.446 1.647 79 HD1 PHE 13 HD1 PHE 13 -11.421 3.424 2.725 80 HD2 PHE 13 HD2 PHE 13 -7.971 5.114 4.540 81 HE1 PHE 13 HE1 PHE 13 -12.858 4.804 4.160 82 HE2 PHE 13 HE2 PHE 13 -9.397 6.492 5.985 83 HZ PHE 13 HZ PHE 13 -11.850 6.343 5.799 84 H ARG 14 HN ARG 14 -10.094 0.380 4.446 85 HA ARG 14 HA ARG 14 -11.850 -1.015 4.185 86 HB2 ARG 14 HB2 ARG 14 -12.449 1.091 2.181 87 HB3 ARG 14 HB1 ARG 14 -13.348 -0.411 2.065 88 HG2 ARG 14 HG2 ARG 14 -14.479 1.383 3.394 89 HG3 ARG 14 HG1 ARG 14 -14.238 -0.140 4.269 90 HD2 ARG 14 HD2 ARG 14 -12.165 0.855 5.266 91 HD3 ARG 14 HD1 ARG 14 -12.599 2.388 4.516 92 HE ARG 14 HE ARG 14 -14.757 2.088 5.893 93 HH11 ARG 14 HH11 ARG 14 -11.558 1.082 6.901 94 HH12 ARG 14 HH12 ARG 14 -11.907 1.225 8.593 95 HH21 ARG 14 HH21 ARG 14 -15.208 2.294 8.132 96 HH22 ARG 14 HH22 ARG 14 -13.968 1.923 9.291 97 H ASN 15 HN ASN 15 -11.251 -0.335 0.768 98 HA ASN 15 HA ASN 15 -9.915 -2.882 0.449 99 HB2 ASN 15 HB2 ASN 15 -12.411 -3.232 0.171 100 HB3 ASN 15 HB1 ASN 15 -12.295 -2.234 -1.267 101 HD21 ASN 15 HD21 ASN 15 -9.837 -4.485 -0.205 102 HD22 ASN 15 HD22 ASN 15 -10.024 -5.593 -1.516 103 H SER 16 HN SER 16 -9.695 0.210 0.051 104 HA SER 16 HA SER 16 -8.801 0.148 -2.759 105 HB2 SER 16 HB2 SER 16 -9.476 2.522 -1.000 106 HB3 SER 16 HB1 SER 16 -8.996 2.602 -2.695 107 HG SER 16 HG SER 16 -10.900 1.793 -3.299 108 H GLN 17 HN GLN 17 -6.667 0.133 -3.113 109 HA GLN 17 HA GLN 17 -4.859 0.144 -0.918 110 HB2 GLN 17 HB2 GLN 17 -4.536 -1.089 -3.119 111 HB3 GLN 17 HB1 GLN 17 -4.082 0.463 -3.816 112 HG2 GLN 17 HG2 GLN 17 -2.347 0.627 -2.001 113 HG3 GLN 17 HG1 GLN 17 -2.693 -1.053 -1.625 114 HE21 GLN 17 HE21 GLN 17 -2.175 -2.663 -3.228 115 HE22 GLN 17 HE22 GLN 17 -0.986 -2.330 -4.433 116 H ILE 18 HN ILE 18 -3.921 1.806 0.036 117 HA ILE 18 HA ILE 18 -4.155 4.423 -1.251 118 HB ILE 18 HB ILE 18 -3.692 5.284 1.114 119 HG12 ILE 18 HG12 ILE 18 -4.668 2.515 1.804 120 HG13 ILE 18 HG11 ILE 18 -3.023 3.077 2.052 121 HG21 ILE 18 HG21 ILE 18 -5.823 5.490 -0.041 122 HG22 ILE 18 HG22 ILE 18 -6.074 5.134 1.668 123 HG23 ILE 18 HG23 ILE 18 -6.262 3.859 0.465 124 HD11 ILE 18 HD11 ILE 18 -5.495 4.182 3.340 125 HD12 ILE 18 HD12 ILE 18 -3.846 4.750 3.614 126 HD13 ILE 18 HD13 ILE 18 -4.312 3.118 4.097 127 H CYS 19 HN CYS 19 -1.913 2.086 -0.276 128 HA CYS 19 HA CYS 19 0.137 3.364 -1.703 129 HB2 CYS 19 HB2 CYS 19 1.735 3.845 -0.018 130 HB3 CYS 19 HB1 CYS 19 0.259 4.690 0.420 131 H HIS 20 HN HIS 20 2.125 2.082 -1.654 132 HA HIS 20 HA HIS 20 1.727 -0.653 -0.679 133 HB2 HIS 20 HB2 HIS 20 2.604 -1.625 -2.645 134 HB3 HIS 20 HB1 HIS 20 1.408 -0.468 -3.193 135 HD1 HIS 20 HD1 HIS 20 4.592 -1.643 -4.066 136 HD2 HIS 20 HD2 HIS 20 2.923 2.146 -3.806 137 HE1 HIS 20 HE1 HIS 20 6.050 -0.164 -5.475 138 HE2 HIS 20 HE2 HIS 20 4.896 2.074 -5.471 139 H CYS 21 HN CYS 21 3.867 -1.798 -0.502 140 HA CYS 21 HA CYS 21 5.804 0.128 0.534 141 HB2 CYS 21 HB2 CYS 21 5.262 -2.756 1.000 142 HB3 CYS 21 HB1 CYS 21 6.903 -2.188 1.241 143 H CYS 22 HN CYS 22 7.645 0.521 -0.365 144 HA CYS 22 HA CYS 22 8.092 0.047 -3.064 145 HB2 CYS 22 HB2 CYS 22 9.343 1.499 -0.914 146 HB3 CYS 22 HB1 CYS 22 10.560 0.733 -1.927 147 HN1 NH2 23 HN1 NH2 23 9.564 -1.415 -0.230 148 HN2 NH2 23 HN2 NH2 23 10.313 -2.721 -1.072 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 2.041 4.873 -4.178 2 H2 MET 1 HT2 MET 1 3.612 5.213 -4.701 3 H3 MET 1 HT3 MET 1 2.459 6.447 -4.638 4 HA MET 1 HA MET 1 4.002 6.605 -2.794 5 HB2 MET 1 HB2 MET 1 1.658 7.345 -2.499 6 HB3 MET 1 HB1 MET 1 1.229 5.730 -1.956 7 HG2 MET 1 HG2 MET 1 1.455 7.027 -0.017 8 HG3 MET 1 HG1 MET 1 2.902 6.033 -0.104 9 HE1 MET 1 HE1 MET 1 2.703 10.549 -0.971 10 HE2 MET 1 HE2 MET 1 1.358 9.560 -0.408 11 HE3 MET 1 HE3 MET 1 1.962 9.370 -2.052 12 H CYS 2 HN CYS 2 5.490 5.442 -1.815 13 HA CYS 2 HA CYS 2 4.965 2.654 -1.184 14 HB2 CYS 2 HB2 CYS 2 7.446 4.326 -1.202 15 HB3 CYS 2 HB1 CYS 2 7.416 2.736 -0.464 16 H CYS 3 HN CYS 3 4.429 1.943 0.727 17 HA CYS 3 HA CYS 3 4.203 3.682 2.982 18 HB2 CYS 3 HB2 CYS 3 4.131 0.728 3.308 19 HB3 CYS 3 HB1 CYS 3 3.095 1.955 4.020 20 H GLY 4 HN GLY 4 6.577 1.443 1.787 21 HA2 GLY 4 HA2 GLY 4 8.551 2.331 3.567 22 HA3 GLY 4 HA1 GLY 4 7.921 0.787 4.115 23 H GLU 5 HN GLU 5 10.522 1.778 2.905 24 HA GLU 5 HA GLU 5 10.773 0.277 0.471 25 HB2 GLU 5 HB2 GLU 5 13.081 0.988 0.485 26 HB3 GLU 5 HB1 GLU 5 12.038 2.350 0.862 27 HG2 GLU 5 HG2 GLU 5 12.563 2.092 3.235 28 HG3 GLU 5 HG1 GLU 5 13.622 0.737 2.840 29 H GLY 6 HN GLY 6 12.105 -1.530 0.159 30 HA2 GLY 6 HA2 GLY 6 13.096 -3.536 0.688 31 HA3 GLY 6 HA1 GLY 6 13.316 -2.933 2.321 32 H SER 7 HN SER 7 10.141 -2.709 1.226 33 HA SER 7 HA SER 7 9.413 -5.158 2.664 34 HB2 SER 7 HB2 SER 7 8.121 -2.439 2.892 35 HB3 SER 7 HB1 SER 7 7.611 -3.901 3.744 36 HG SER 7 HG SER 7 10.264 -2.995 3.977 37 H SER 8 HN SER 8 7.237 -5.940 2.178 38 HA SER 8 HA SER 8 6.240 -5.108 -0.464 39 HB2 SER 8 HB2 SER 8 6.336 -7.911 0.674 40 HB3 SER 8 HB1 SER 8 5.669 -7.465 -0.895 41 HG SER 8 HG SER 8 8.022 -6.466 -0.984 42 H CYS 9 HN CYS 9 5.370 -4.044 1.937 43 HA CYS 9 HA CYS 9 2.800 -5.278 2.561 44 HB2 CYS 9 HB2 CYS 9 3.039 -3.270 4.300 45 HB3 CYS 9 HB1 CYS 9 3.813 -4.832 4.549 46 HA PRO 10 HA PRO 10 1.053 -1.570 0.636 47 HB2 PRO 10 HB2 PRO 10 -1.027 -2.600 -0.595 48 HB3 PRO 10 HB1 PRO 10 0.592 -2.784 -1.276 49 HG2 PRO 10 HG2 PRO 10 -1.062 -4.758 0.227 50 HG3 PRO 10 HG1 PRO 10 0.005 -5.011 -1.165 51 HD2 PRO 10 HD2 PRO 10 0.678 -5.474 1.514 52 HD3 PRO 10 HD1 PRO 10 1.822 -5.322 0.171 53 H LYS 11 HN LYS 11 -0.690 -0.356 1.301 54 HA LYS 11 HA LYS 11 -2.226 -1.542 3.513 55 HB2 LYS 11 HB2 LYS 11 -1.333 1.328 3.169 56 HB3 LYS 11 HB1 LYS 11 -2.369 0.746 4.460 57 HG2 LYS 11 HG2 LYS 11 -0.543 -0.718 5.235 58 HG3 LYS 11 HG1 LYS 11 0.486 -0.050 3.974 59 HD2 LYS 11 HD2 LYS 11 0.978 1.074 6.030 60 HD3 LYS 11 HD1 LYS 11 0.144 2.203 4.961 61 HE2 LYS 11 HE2 LYS 11 -0.694 2.348 7.259 62 HE3 LYS 11 HE1 LYS 11 -1.948 1.806 6.149 63 HZ1 LYS 11 HZ1 LYS 11 -0.337 0.001 7.866 64 HZ2 LYS 11 HZ2 LYS 11 -1.653 -0.435 6.899 65 HZ3 LYS 11 HZ3 LYS 11 -1.887 0.554 8.247 66 H TYR 12 HN TYR 12 -4.399 -1.292 3.488 67 HA TYR 12 HA TYR 12 -5.506 0.205 1.217 68 HB2 TYR 12 HB2 TYR 12 -6.249 -2.504 2.250 69 HB3 TYR 12 HB1 TYR 12 -7.404 -1.527 1.356 70 HD1 TYR 12 HD1 TYR 12 -7.571 -1.921 -0.869 71 HD2 TYR 12 HD2 TYR 12 -3.841 -2.630 1.028 72 HE1 TYR 12 HE1 TYR 12 -6.655 -2.738 -2.995 73 HE2 TYR 12 HE2 TYR 12 -2.910 -3.459 -1.085 74 HH TYR 12 HH TYR 12 -4.575 -3.081 -4.091 75 H PHE 13 HN PHE 13 -7.296 1.355 1.533 76 HA PHE 13 HA PHE 13 -8.322 1.555 4.280 77 HB2 PHE 13 HB2 PHE 13 -7.409 3.625 3.140 78 HB3 PHE 13 HB1 PHE 13 -8.720 3.484 1.980 79 HD1 PHE 13 HD1 PHE 13 -7.711 4.626 5.205 80 HD2 PHE 13 HD2 PHE 13 -11.083 3.667 2.803 81 HE1 PHE 13 HE1 PHE 13 -9.144 5.932 6.707 82 HE2 PHE 13 HE2 PHE 13 -12.529 4.975 4.299 83 HZ PHE 13 HZ PHE 13 -11.561 6.115 6.258 84 H ARG 14 HN ARG 14 -10.004 0.246 4.487 85 HA ARG 14 HA ARG 14 -11.865 -0.977 4.066 86 HB2 ARG 14 HB2 ARG 14 -12.259 1.193 2.020 87 HB3 ARG 14 HB1 ARG 14 -13.386 -0.139 2.179 88 HG2 ARG 14 HG2 ARG 14 -13.933 0.521 4.433 89 HG3 ARG 14 HG1 ARG 14 -12.662 1.751 4.427 90 HD2 ARG 14 HD2 ARG 14 -14.839 2.787 4.072 91 HD3 ARG 14 HD1 ARG 14 -13.837 2.948 2.632 92 HE ARG 14 HE ARG 14 -15.741 0.732 2.699 93 HH11 ARG 14 HH11 ARG 14 -14.952 3.946 1.568 94 HH12 ARG 14 HH12 ARG 14 -16.085 3.902 0.256 95 HH21 ARG 14 HH21 ARG 14 -17.232 0.664 0.966 96 HH22 ARG 14 HH22 ARG 14 -17.384 2.036 -0.086 97 H ASN 15 HN ASN 15 -11.218 -0.024 0.739 98 HA ASN 15 HA ASN 15 -9.976 -2.557 0.132 99 HB2 ASN 15 HB2 ASN 15 -12.451 -2.919 -0.041 100 HB3 ASN 15 HB1 ASN 15 -12.480 -1.711 -1.314 101 HD21 ASN 15 HD21 ASN 15 -9.889 -4.005 -0.882 102 HD22 ASN 15 HD22 ASN 15 -10.206 -4.920 -2.310 103 H SER 16 HN SER 16 -9.483 0.423 0.108 104 HA SER 16 HA SER 16 -8.720 0.656 -2.735 105 HB2 SER 16 HB2 SER 16 -10.347 2.373 -1.875 106 HB3 SER 16 HB1 SER 16 -9.106 2.910 -0.748 107 HG SER 16 HG SER 16 -9.308 3.280 -3.490 108 H GLN 17 HN GLN 17 -6.585 0.602 -3.139 109 HA GLN 17 HA GLN 17 -4.755 0.252 -0.970 110 HB2 GLN 17 HB2 GLN 17 -4.506 -0.820 -3.231 111 HB3 GLN 17 HB1 GLN 17 -4.058 0.759 -3.867 112 HG2 GLN 17 HG2 GLN 17 -2.201 0.818 -2.222 113 HG3 GLN 17 HG1 GLN 17 -2.597 -0.833 -1.777 114 HE21 GLN 17 HE21 GLN 17 -2.241 -2.509 -3.353 115 HE22 GLN 17 HE22 GLN 17 -1.124 -2.262 -4.645 116 H ILE 18 HN ILE 18 -4.021 1.847 0.233 117 HA ILE 18 HA ILE 18 -4.020 4.553 -0.828 118 HB ILE 18 HB ILE 18 -3.370 5.144 1.582 119 HG12 ILE 18 HG12 ILE 18 -4.505 2.395 2.067 120 HG13 ILE 18 HG11 ILE 18 -2.809 2.811 2.247 121 HG21 ILE 18 HG21 ILE 18 -5.720 5.097 2.264 122 HG22 ILE 18 HG22 ILE 18 -6.066 3.970 0.954 123 HG23 ILE 18 HG23 ILE 18 -5.535 5.610 0.587 124 HD11 ILE 18 HD11 ILE 18 -3.387 4.364 4.021 125 HD12 ILE 18 HD12 ILE 18 -3.973 2.739 4.375 126 HD13 ILE 18 HD13 ILE 18 -5.093 3.974 3.806 127 H CYS 19 HN CYS 19 -1.867 2.021 -0.122 128 HA CYS 19 HA CYS 19 0.203 3.300 -1.524 129 HB2 CYS 19 HB2 CYS 19 1.864 3.572 0.172 130 HB3 CYS 19 HB1 CYS 19 0.446 4.491 0.652 131 H HIS 20 HN HIS 20 2.067 1.935 -1.721 132 HA HIS 20 HA HIS 20 1.698 -0.820 -0.792 133 HB2 HIS 20 HB2 HIS 20 2.915 -1.513 -2.918 134 HB3 HIS 20 HB1 HIS 20 1.241 -1.026 -3.094 135 HD1 HIS 20 HD1 HIS 20 1.095 0.010 -5.324 136 HD2 HIS 20 HD2 HIS 20 4.447 1.286 -3.228 137 HE1 HIS 20 HE1 HIS 20 2.176 1.748 -6.775 138 HE2 HIS 20 HE2 HIS 20 4.267 2.422 -5.547 139 H CYS 21 HN CYS 21 3.819 -1.982 -0.623 140 HA CYS 21 HA CYS 21 5.750 -0.038 0.406 141 HB2 CYS 21 HB2 CYS 21 5.219 -2.910 0.913 142 HB3 CYS 21 HB1 CYS 21 6.853 -2.331 1.165 143 H CYS 22 HN CYS 22 7.606 0.375 -0.547 144 HA CYS 22 HA CYS 22 7.996 -0.055 -3.209 145 HB2 CYS 22 HB2 CYS 22 9.593 0.977 -0.983 146 HB3 CYS 22 HB1 CYS 22 10.543 0.395 -2.344 147 HN1 NH2 23 HN1 NH2 23 9.960 -1.595 -0.694 148 HN2 NH2 23 HN2 NH2 23 10.285 -3.027 -1.589 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 2.001 5.000 -4.175 2 H2 MET 1 HT2 MET 1 3.554 5.396 -4.703 3 H3 MET 1 HT3 MET 1 2.354 6.579 -4.664 4 HA MET 1 HA MET 1 3.887 6.839 -2.833 5 HB2 MET 1 HB2 MET 1 1.487 7.453 -2.604 6 HB3 MET 1 HB1 MET 1 1.174 5.859 -1.933 7 HG2 MET 1 HG2 MET 1 2.711 6.370 -0.083 8 HG3 MET 1 HG1 MET 1 2.941 7.981 -0.751 9 HE1 MET 1 HE1 MET 1 -0.068 8.560 -1.819 10 HE2 MET 1 HE2 MET 1 0.972 9.745 -1.032 11 HE3 MET 1 HE3 MET 1 -0.672 9.489 -0.447 12 H CYS 2 HN CYS 2 5.459 5.714 -1.948 13 HA CYS 2 HA CYS 2 5.041 2.922 -1.240 14 HB2 CYS 2 HB2 CYS 2 7.491 4.627 -1.498 15 HB3 CYS 2 HB1 CYS 2 7.536 3.041 -0.748 16 H CYS 3 HN CYS 3 5.030 2.123 0.749 17 HA CYS 3 HA CYS 3 5.341 4.002 2.989 18 HB2 CYS 3 HB2 CYS 3 3.479 1.683 2.581 19 HB3 CYS 3 HB1 CYS 3 3.789 2.352 4.178 20 H GLY 4 HN GLY 4 7.417 2.196 1.725 21 HA2 GLY 4 HA2 GLY 4 9.002 1.681 3.787 22 HA3 GLY 4 HA1 GLY 4 7.923 0.303 3.862 23 H GLU 5 HN GLU 5 10.779 1.486 2.597 24 HA GLU 5 HA GLU 5 10.853 -0.186 0.263 25 HB2 GLU 5 HB2 GLU 5 13.059 0.599 -0.075 26 HB3 GLU 5 HB1 GLU 5 12.139 1.967 0.532 27 HG2 GLU 5 HG2 GLU 5 13.106 1.738 2.704 28 HG3 GLU 5 HG1 GLU 5 13.891 0.228 2.239 29 H GLY 6 HN GLY 6 12.110 -2.040 -0.022 30 HA2 GLY 6 HA2 GLY 6 13.097 -4.031 0.606 31 HA3 GLY 6 HA1 GLY 6 13.366 -3.352 2.205 32 H SER 7 HN SER 7 10.214 -2.918 1.294 33 HA SER 7 HA SER 7 9.328 -5.372 2.627 34 HB2 SER 7 HB2 SER 7 8.299 -2.560 3.027 35 HB3 SER 7 HB1 SER 7 7.611 -4.010 3.768 36 HG SER 7 HG SER 7 10.188 -4.048 4.295 37 H SER 8 HN SER 8 7.045 -5.898 2.177 38 HA SER 8 HA SER 8 6.112 -4.844 -0.405 39 HB2 SER 8 HB2 SER 8 5.989 -7.720 0.531 40 HB3 SER 8 HB1 SER 8 5.368 -7.105 -1.002 41 HG SER 8 HG SER 8 7.299 -7.345 -1.769 42 H CYS 9 HN CYS 9 5.355 -3.914 2.115 43 HA CYS 9 HA CYS 9 2.753 -5.028 2.750 44 HB2 CYS 9 HB2 CYS 9 3.053 -2.930 4.405 45 HB3 CYS 9 HB1 CYS 9 3.744 -4.518 4.728 46 HA PRO 10 HA PRO 10 0.963 -1.414 0.722 47 HB2 PRO 10 HB2 PRO 10 -1.105 -2.516 -0.460 48 HB3 PRO 10 HB1 PRO 10 0.516 -2.714 -1.130 49 HG2 PRO 10 HG2 PRO 10 -1.127 -4.642 0.443 50 HG3 PRO 10 HG1 PRO 10 -0.039 -4.942 -0.923 51 HD2 PRO 10 HD2 PRO 10 0.593 -5.254 1.798 52 HD3 PRO 10 HD1 PRO 10 1.747 -5.205 0.457 53 H LYS 11 HN LYS 11 -0.777 -0.187 1.344 54 HA LYS 11 HA LYS 11 -2.273 -1.259 3.641 55 HB2 LYS 11 HB2 LYS 11 -1.464 1.598 3.051 56 HB3 LYS 11 HB1 LYS 11 -2.506 1.114 4.377 57 HG2 LYS 11 HG2 LYS 11 -0.661 -0.220 5.314 58 HG3 LYS 11 HG1 LYS 11 0.374 0.336 4.004 59 HD2 LYS 11 HD2 LYS 11 0.776 1.643 6.002 60 HD3 LYS 11 HD1 LYS 11 0.059 2.652 4.744 61 HE2 LYS 11 HE2 LYS 11 -0.949 3.121 6.913 62 HE3 LYS 11 HE1 LYS 11 -2.133 2.425 5.813 63 HZ1 LYS 11 HZ1 LYS 11 -2.275 1.473 8.033 64 HZ2 LYS 11 HZ2 LYS 11 -0.675 0.935 7.924 65 HZ3 LYS 11 HZ3 LYS 11 -1.852 0.294 6.896 66 H TYR 12 HN TYR 12 -4.475 -1.094 3.608 67 HA TYR 12 HA TYR 12 -5.629 0.207 1.241 68 HB2 TYR 12 HB2 TYR 12 -6.331 -2.446 2.443 69 HB3 TYR 12 HB1 TYR 12 -7.450 -1.568 1.415 70 HD1 TYR 12 HD1 TYR 12 -7.459 -2.060 -0.807 71 HD2 TYR 12 HD2 TYR 12 -3.893 -2.721 1.396 72 HE1 TYR 12 HE1 TYR 12 -6.421 -3.058 -2.798 73 HE2 TYR 12 HE2 TYR 12 -2.844 -3.721 -0.579 74 HH TYR 12 HH TYR 12 -3.575 -4.866 -2.674 75 H PHE 13 HN PHE 13 -7.491 1.247 1.458 76 HA PHE 13 HA PHE 13 -8.576 1.577 4.173 77 HB2 PHE 13 HB2 PHE 13 -7.656 3.618 3.012 78 HB3 PHE 13 HB1 PHE 13 -8.883 3.403 1.774 79 HD1 PHE 13 HD1 PHE 13 -8.102 4.740 4.974 80 HD2 PHE 13 HD2 PHE 13 -11.301 3.555 2.450 81 HE1 PHE 13 HE1 PHE 13 -9.645 6.107 6.305 82 HE2 PHE 13 HE2 PHE 13 -12.858 4.917 3.771 83 HZ PHE 13 HZ PHE 13 -12.033 6.200 5.705 84 H ARG 14 HN ARG 14 -10.270 0.266 4.381 85 HA ARG 14 HA ARG 14 -12.118 -0.985 3.941 86 HB2 ARG 14 HB2 ARG 14 -12.397 0.993 1.683 87 HB3 ARG 14 HB1 ARG 14 -13.531 -0.320 1.916 88 HG2 ARG 14 HG2 ARG 14 -14.200 0.566 4.053 89 HG3 ARG 14 HG1 ARG 14 -12.931 1.799 3.987 90 HD2 ARG 14 HD2 ARG 14 -15.077 2.781 3.389 91 HD3 ARG 14 HD1 ARG 14 -14.003 2.772 1.993 92 HE ARG 14 HE ARG 14 -16.205 0.842 2.388 93 HH11 ARG 14 HH11 ARG 14 -14.210 2.844 0.312 94 HH12 ARG 14 HH12 ARG 14 -15.055 2.401 -1.135 95 HH21 ARG 14 HH21 ARG 14 -17.297 0.245 0.484 96 HH22 ARG 14 HH22 ARG 14 -16.815 0.921 -1.039 97 H ASN 15 HN ASN 15 -11.294 -0.268 0.603 98 HA ASN 15 HA ASN 15 -9.907 -2.778 0.269 99 HB2 ASN 15 HB2 ASN 15 -12.361 -3.234 -0.066 100 HB3 ASN 15 HB1 ASN 15 -12.305 -2.139 -1.436 101 HD21 ASN 15 HD21 ASN 15 -9.764 -4.361 -0.513 102 HD22 ASN 15 HD22 ASN 15 -9.886 -5.368 -1.913 103 H SER 16 HN SER 16 -9.669 0.263 0.038 104 HA SER 16 HA SER 16 -8.807 0.432 -2.774 105 HB2 SER 16 HB2 SER 16 -10.488 2.114 -1.974 106 HB3 SER 16 HB1 SER 16 -9.306 2.681 -0.801 107 HG SER 16 HG SER 16 -9.223 2.850 -3.619 108 H GLN 17 HN GLN 17 -6.670 0.220 -3.082 109 HA GLN 17 HA GLN 17 -4.851 0.133 -0.901 110 HB2 GLN 17 HB2 GLN 17 -4.521 -1.038 -3.111 111 HB3 GLN 17 HB1 GLN 17 -4.114 0.530 -3.804 112 HG2 GLN 17 HG2 GLN 17 -2.361 0.694 -1.976 113 HG3 GLN 17 HG1 GLN 17 -2.637 -1.018 -1.704 114 HE21 GLN 17 HE21 GLN 17 -2.061 -2.501 -3.391 115 HE22 GLN 17 HE22 GLN 17 -0.924 -2.043 -4.606 116 H ILE 18 HN ILE 18 -4.045 1.783 0.182 117 HA ILE 18 HA ILE 18 -4.180 4.434 -1.024 118 HB ILE 18 HB ILE 18 -3.612 5.188 1.370 119 HG12 ILE 18 HG12 ILE 18 -4.714 2.448 1.964 120 HG13 ILE 18 HG11 ILE 18 -3.037 2.918 2.197 121 HG21 ILE 18 HG21 ILE 18 -6.265 3.933 0.713 122 HG22 ILE 18 HG22 ILE 18 -5.744 5.559 0.270 123 HG23 ILE 18 HG23 ILE 18 -5.986 5.143 1.967 124 HD11 ILE 18 HD11 ILE 18 -3.723 4.544 3.854 125 HD12 ILE 18 HD12 ILE 18 -4.307 2.933 4.268 126 HD13 ILE 18 HD13 ILE 18 -5.412 4.121 3.579 127 H CYS 19 HN CYS 19 -1.940 2.032 -0.156 128 HA CYS 19 HA CYS 19 0.083 3.337 -1.594 129 HB2 CYS 19 HB2 CYS 19 1.682 3.872 0.036 130 HB3 CYS 19 HB1 CYS 19 0.183 4.596 0.598 131 H HIS 20 HN HIS 20 2.147 2.105 -1.450 132 HA HIS 20 HA HIS 20 1.793 -0.663 -0.588 133 HB2 HIS 20 HB2 HIS 20 2.849 -1.483 -2.647 134 HB3 HIS 20 HB1 HIS 20 1.322 -0.690 -2.977 135 HD1 HIS 20 HD1 HIS 20 4.782 -0.768 -4.019 136 HD2 HIS 20 HD2 HIS 20 1.714 2.030 -4.007 137 HE1 HIS 20 HE1 HIS 20 5.482 1.007 -5.652 138 HE2 HIS 20 HE2 HIS 20 3.521 2.585 -5.773 139 H CYS 21 HN CYS 21 3.914 -1.766 -0.429 140 HA CYS 21 HA CYS 21 5.862 0.179 0.554 141 HB2 CYS 21 HB2 CYS 21 5.354 -2.716 1.054 142 HB3 CYS 21 HB1 CYS 21 6.958 -2.078 1.358 143 H CYS 22 HN CYS 22 7.570 0.663 -0.512 144 HA CYS 22 HA CYS 22 8.055 0.007 -3.140 145 HB2 CYS 22 HB2 CYS 22 9.338 1.563 -1.055 146 HB3 CYS 22 HB1 CYS 22 10.508 0.837 -2.146 147 HN1 NH2 23 HN1 NH2 23 9.549 -1.282 -0.237 148 HN2 NH2 23 HN2 NH2 23 10.364 -2.587 -1.014 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 2.529 6.726 -4.537 2 H2 MET 1 HT2 MET 1 2.102 5.142 -4.139 3 H3 MET 1 HT3 MET 1 3.684 5.497 -4.607 4 HA MET 1 HA MET 1 4.000 6.855 -2.656 5 HB2 MET 1 HB2 MET 1 1.703 7.578 -2.322 6 HB3 MET 1 HB1 MET 1 1.198 5.923 -2.003 7 HG2 MET 1 HG2 MET 1 2.494 5.871 0.018 8 HG3 MET 1 HG1 MET 1 3.123 7.481 -0.304 9 HE1 MET 1 HE1 MET 1 2.417 8.359 2.066 10 HE2 MET 1 HE2 MET 1 1.857 6.735 2.460 11 HE3 MET 1 HE3 MET 1 0.813 8.125 2.760 12 H CYS 2 HN CYS 2 5.558 5.667 -1.831 13 HA CYS 2 HA CYS 2 5.066 2.889 -1.117 14 HB2 CYS 2 HB2 CYS 2 7.562 4.544 -1.298 15 HB3 CYS 2 HB1 CYS 2 7.546 2.945 -0.572 16 H CYS 3 HN CYS 3 4.914 2.130 0.874 17 HA CYS 3 HA CYS 3 5.233 4.024 3.098 18 HB2 CYS 3 HB2 CYS 3 3.366 1.702 2.707 19 HB3 CYS 3 HB1 CYS 3 3.626 2.448 4.279 20 H GLY 4 HN GLY 4 7.265 2.143 1.852 21 HA2 GLY 4 HA2 GLY 4 8.806 1.599 3.980 22 HA3 GLY 4 HA1 GLY 4 7.747 0.204 3.926 23 H GLU 5 HN GLU 5 10.648 1.451 2.904 24 HA GLU 5 HA GLU 5 10.841 0.027 0.416 25 HB2 GLU 5 HB2 GLU 5 13.035 0.858 0.261 26 HB3 GLU 5 HB1 GLU 5 12.110 2.141 1.024 27 HG2 GLU 5 HG2 GLU 5 13.002 1.568 3.183 28 HG3 GLU 5 HG1 GLU 5 13.825 0.164 2.502 29 H GLY 6 HN GLY 6 12.162 -1.775 0.007 30 HA2 GLY 6 HA2 GLY 6 13.106 -3.825 0.443 31 HA3 GLY 6 HA1 GLY 6 13.411 -3.274 2.085 32 H SER 7 HN SER 7 10.220 -2.898 1.135 33 HA SER 7 HA SER 7 9.410 -5.357 2.510 34 HB2 SER 7 HB2 SER 7 8.298 -2.569 2.869 35 HB3 SER 7 HB1 SER 7 7.682 -4.024 3.657 36 HG SER 7 HG SER 7 9.044 -3.186 5.124 37 H SER 8 HN SER 8 7.069 -5.879 2.111 38 HA SER 8 HA SER 8 6.161 -4.912 -0.514 39 HB2 SER 8 HB2 SER 8 7.228 -7.211 -0.580 40 HB3 SER 8 HB1 SER 8 5.892 -7.771 0.425 41 HG SER 8 HG SER 8 4.469 -7.324 -1.207 42 H CYS 9 HN CYS 9 5.430 -4.035 2.075 43 HA CYS 9 HA CYS 9 2.803 -5.098 2.684 44 HB2 CYS 9 HB2 CYS 9 3.154 -3.035 4.373 45 HB3 CYS 9 HB1 CYS 9 3.816 -4.642 4.663 46 HA PRO 10 HA PRO 10 1.079 -1.404 0.739 47 HB2 PRO 10 HB2 PRO 10 -1.059 -2.423 -0.391 48 HB3 PRO 10 HB1 PRO 10 0.534 -2.677 -1.108 49 HG2 PRO 10 HG2 PRO 10 -1.137 -4.548 0.501 50 HG3 PRO 10 HG1 PRO 10 -0.102 -4.880 -0.899 51 HD2 PRO 10 HD2 PRO 10 0.603 -5.245 1.795 52 HD3 PRO 10 HD1 PRO 10 1.719 -5.215 0.420 53 H LYS 11 HN LYS 11 -0.841 -0.231 1.216 54 HA LYS 11 HA LYS 11 -2.239 -1.218 3.612 55 HB2 LYS 11 HB2 LYS 11 -1.497 1.649 2.988 56 HB3 LYS 11 HB1 LYS 11 -2.382 1.106 4.400 57 HG2 LYS 11 HG2 LYS 11 -0.392 -0.191 5.101 58 HG3 LYS 11 HG1 LYS 11 0.477 0.479 3.727 59 HD2 LYS 11 HD2 LYS 11 1.041 1.755 5.668 60 HD3 LYS 11 HD1 LYS 11 0.032 2.754 4.621 61 HE2 LYS 11 HE2 LYS 11 -0.664 3.013 6.925 62 HE3 LYS 11 HE1 LYS 11 -1.925 2.185 6.015 63 HZ1 LYS 11 HZ1 LYS 11 0.067 0.890 7.797 64 HZ2 LYS 11 HZ2 LYS 11 -1.125 0.083 6.913 65 HZ3 LYS 11 HZ3 LYS 11 -1.568 1.142 8.154 66 H TYR 12 HN TYR 12 -4.442 -1.021 3.598 67 HA TYR 12 HA TYR 12 -5.603 0.244 1.210 68 HB2 TYR 12 HB2 TYR 12 -6.278 -2.372 2.491 69 HB3 TYR 12 HB1 TYR 12 -7.475 -1.504 1.547 70 HD1 TYR 12 HD1 TYR 12 -7.734 -2.279 -0.567 71 HD2 TYR 12 HD2 TYR 12 -3.857 -2.384 1.160 72 HE1 TYR 12 HE1 TYR 12 -6.849 -3.273 -2.630 73 HE2 TYR 12 HE2 TYR 12 -2.959 -3.387 -0.889 74 HH TYR 12 HH TYR 12 -4.763 -3.514 -3.806 75 H PHE 13 HN PHE 13 -7.521 1.272 1.407 76 HA PHE 13 HA PHE 13 -8.537 1.706 4.136 77 HB2 PHE 13 HB2 PHE 13 -7.663 3.728 2.910 78 HB3 PHE 13 HB1 PHE 13 -8.918 3.477 1.707 79 HD1 PHE 13 HD1 PHE 13 -11.287 3.738 2.333 80 HD2 PHE 13 HD2 PHE 13 -8.117 4.733 4.979 81 HE1 PHE 13 HE1 PHE 13 -12.847 5.076 3.684 82 HE2 PHE 13 HE2 PHE 13 -9.664 6.067 6.340 83 HZ PHE 13 HZ PHE 13 -12.036 6.242 5.700 84 H ARG 14 HN ARG 14 -10.245 0.465 4.449 85 HA ARG 14 HA ARG 14 -12.087 -0.816 4.117 86 HB2 ARG 14 HB2 ARG 14 -12.474 1.065 1.794 87 HB3 ARG 14 HB1 ARG 14 -13.610 -0.209 2.179 88 HG2 ARG 14 HG2 ARG 14 -14.039 0.802 4.353 89 HG3 ARG 14 HG1 ARG 14 -12.847 2.066 4.022 90 HD2 ARG 14 HD2 ARG 14 -15.382 1.560 2.441 91 HD3 ARG 14 HD1 ARG 14 -15.161 2.842 3.629 92 HE ARG 14 HE ARG 14 -13.258 3.529 2.001 93 HH11 ARG 14 HH11 ARG 14 -16.371 2.210 1.092 94 HH12 ARG 14 HH12 ARG 14 -16.410 3.022 -0.438 95 HH21 ARG 14 HH21 ARG 14 -13.310 4.601 -0.013 96 HH22 ARG 14 HH22 ARG 14 -14.678 4.394 -1.059 97 H ASN 15 HN ASN 15 -11.384 -0.209 0.719 98 HA ASN 15 HA ASN 15 -10.076 -2.761 0.410 99 HB2 ASN 15 HB2 ASN 15 -12.538 -3.212 0.212 100 HB3 ASN 15 HB1 ASN 15 -12.560 -2.142 -1.180 101 HD21 ASN 15 HD21 ASN 15 -9.970 -4.356 -0.380 102 HD22 ASN 15 HD22 ASN 15 -10.191 -5.399 -1.739 103 H SER 16 HN SER 16 -9.581 0.166 0.108 104 HA SER 16 HA SER 16 -8.819 0.164 -2.747 105 HB2 SER 16 HB2 SER 16 -10.471 1.926 -2.080 106 HB3 SER 16 HB1 SER 16 -9.275 2.568 -0.958 107 HG SER 16 HG SER 16 -9.502 2.975 -3.609 108 H GLN 17 HN GLN 17 -6.672 0.131 -3.141 109 HA GLN 17 HA GLN 17 -4.827 0.070 -0.959 110 HB2 GLN 17 HB2 GLN 17 -4.484 -1.180 -3.108 111 HB3 GLN 17 HB1 GLN 17 -4.155 0.364 -3.893 112 HG2 GLN 17 HG2 GLN 17 -2.335 0.710 -2.206 113 HG3 GLN 17 HG1 GLN 17 -2.577 -0.951 -1.699 114 HE21 GLN 17 HE21 GLN 17 -2.058 -2.643 -3.214 115 HE22 GLN 17 HE22 GLN 17 -0.942 -2.344 -4.494 116 H ILE 18 HN ILE 18 -4.000 1.759 0.055 117 HA ILE 18 HA ILE 18 -4.175 4.366 -1.248 118 HB ILE 18 HB ILE 18 -3.691 5.248 1.087 119 HG12 ILE 18 HG12 ILE 18 -4.615 2.486 1.868 120 HG13 ILE 18 HG11 ILE 18 -2.959 3.055 2.028 121 HG21 ILE 18 HG21 ILE 18 -6.243 3.776 0.489 122 HG22 ILE 18 HG22 ILE 18 -5.847 5.431 0.024 123 HG23 ILE 18 HG23 ILE 18 -6.058 5.019 1.725 124 HD11 ILE 18 HD11 ILE 18 -4.125 3.157 4.133 125 HD12 ILE 18 HD12 ILE 18 -5.378 4.167 3.412 126 HD13 ILE 18 HD13 ILE 18 -3.733 4.783 3.575 127 H CYS 19 HN CYS 19 -1.921 2.023 -0.270 128 HA CYS 19 HA CYS 19 0.117 3.329 -1.708 129 HB2 CYS 19 HB2 CYS 19 1.691 3.871 -0.044 130 HB3 CYS 19 HB1 CYS 19 0.181 4.599 0.481 131 H HIS 20 HN HIS 20 2.202 2.100 -1.465 132 HA HIS 20 HA HIS 20 1.783 -0.681 -0.662 133 HB2 HIS 20 HB2 HIS 20 2.885 -1.498 -2.672 134 HB3 HIS 20 HB1 HIS 20 1.446 -0.593 -3.097 135 HD1 HIS 20 HD1 HIS 20 5.004 -0.841 -3.797 136 HD2 HIS 20 HD2 HIS 20 2.070 2.080 -4.080 137 HE1 HIS 20 HE1 HIS 20 5.947 0.916 -5.328 138 HE2 HIS 20 HE2 HIS 20 4.085 2.591 -5.618 139 H CYS 21 HN CYS 21 3.923 -1.813 -0.490 140 HA CYS 21 HA CYS 21 5.871 0.096 0.565 141 HB2 CYS 21 HB2 CYS 21 5.324 -2.793 1.004 142 HB3 CYS 21 HB1 CYS 21 6.967 -2.229 1.242 143 H CYS 22 HN CYS 22 7.677 0.524 -0.384 144 HA CYS 22 HA CYS 22 8.118 0.008 -3.076 145 HB2 CYS 22 HB2 CYS 22 9.416 1.468 -0.929 146 HB3 CYS 22 HB1 CYS 22 10.579 0.776 -2.052 147 HN1 NH2 23 HN1 NH2 23 9.706 -1.331 -0.235 148 HN2 NH2 23 HN2 NH2 23 10.460 -2.648 -1.054 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 2.724 6.635 -4.757 2 H2 MET 1 HT2 MET 1 2.318 5.041 -4.366 3 H3 MET 1 HT3 MET 1 3.911 5.432 -4.769 4 HA MET 1 HA MET 1 4.120 6.797 -2.814 5 HB2 MET 1 HB2 MET 1 1.814 7.508 -2.601 6 HB3 MET 1 HB1 MET 1 1.292 5.854 -2.315 7 HG2 MET 1 HG2 MET 1 2.574 5.829 -0.229 8 HG3 MET 1 HG1 MET 1 3.028 7.507 -0.503 9 HE1 MET 1 HE1 MET 1 0.246 8.593 -1.795 10 HE2 MET 1 HE2 MET 1 1.241 9.494 -0.651 11 HE3 MET 1 HE3 MET 1 -0.485 9.282 -0.344 12 H CYS 2 HN CYS 2 5.650 5.600 -1.936 13 HA CYS 2 HA CYS 2 5.109 2.838 -1.188 14 HB2 CYS 2 HB2 CYS 2 7.635 4.456 -1.292 15 HB3 CYS 2 HB1 CYS 2 7.562 2.857 -0.567 16 H CYS 3 HN CYS 3 4.747 2.172 0.793 17 HA CYS 3 HA CYS 3 5.083 4.084 3.001 18 HB2 CYS 3 HB2 CYS 3 3.142 1.825 2.593 19 HB3 CYS 3 HB1 CYS 3 3.355 2.631 4.143 20 H GLY 4 HN GLY 4 7.228 2.400 2.045 21 HA2 GLY 4 HA2 GLY 4 8.577 1.727 4.188 22 HA3 GLY 4 HA1 GLY 4 7.471 0.368 4.112 23 H GLU 5 HN GLU 5 10.428 1.569 3.124 24 HA GLU 5 HA GLU 5 10.631 0.081 0.682 25 HB2 GLU 5 HB2 GLU 5 12.797 0.947 0.482 26 HB3 GLU 5 HB1 GLU 5 11.886 2.227 1.269 27 HG2 GLU 5 HG2 GLU 5 12.815 1.616 3.414 28 HG3 GLU 5 HG1 GLU 5 13.669 0.261 2.675 29 H GLY 6 HN GLY 6 11.874 -1.747 0.322 30 HA2 GLY 6 HA2 GLY 6 12.895 -3.754 0.843 31 HA3 GLY 6 HA1 GLY 6 13.088 -3.189 2.497 32 H SER 7 HN SER 7 9.969 -2.765 1.442 33 HA SER 7 HA SER 7 9.099 -5.235 2.766 34 HB2 SER 7 HB2 SER 7 7.906 -2.466 2.920 35 HB3 SER 7 HB1 SER 7 7.232 -3.907 3.685 36 HG SER 7 HG SER 7 9.809 -3.681 4.367 37 H SER 8 HN SER 8 6.918 -5.942 2.162 38 HA SER 8 HA SER 8 6.213 -5.197 -0.594 39 HB2 SER 8 HB2 SER 8 7.322 -7.439 -0.369 40 HB3 SER 8 HB1 SER 8 5.971 -7.951 0.638 41 HG SER 8 HG SER 8 4.592 -7.599 -1.137 42 H CYS 9 HN CYS 9 5.173 -4.028 1.728 43 HA CYS 9 HA CYS 9 2.537 -5.194 2.160 44 HB2 CYS 9 HB2 CYS 9 2.674 -3.146 3.887 45 HB3 CYS 9 HB1 CYS 9 3.337 -4.741 4.234 46 HA PRO 10 HA PRO 10 0.908 -1.514 0.122 47 HB2 PRO 10 HB2 PRO 10 -1.158 -2.558 -1.133 48 HB3 PRO 10 HB1 PRO 10 0.472 -2.742 -1.782 49 HG2 PRO 10 HG2 PRO 10 -1.196 -4.706 -0.278 50 HG3 PRO 10 HG1 PRO 10 -0.122 -4.967 -1.663 51 HD2 PRO 10 HD2 PRO 10 0.548 -5.427 1.008 52 HD3 PRO 10 HD1 PRO 10 1.700 -5.242 -0.323 53 H LYS 11 HN LYS 11 -0.555 -0.219 1.015 54 HA LYS 11 HA LYS 11 -1.997 -1.339 3.306 55 HB2 LYS 11 HB2 LYS 11 -1.250 1.520 2.655 56 HB3 LYS 11 HB1 LYS 11 -2.181 1.027 4.059 57 HG2 LYS 11 HG2 LYS 11 -0.275 -0.272 4.873 58 HG3 LYS 11 HG1 LYS 11 0.652 0.223 3.462 59 HD2 LYS 11 HD2 LYS 11 1.191 1.571 5.449 60 HD3 LYS 11 HD1 LYS 11 0.530 2.542 4.135 61 HE2 LYS 11 HE2 LYS 11 -1.671 2.502 5.226 62 HE3 LYS 11 HE1 LYS 11 -0.995 1.549 6.546 63 HZ1 LYS 11 HZ1 LYS 11 -0.185 4.303 5.794 64 HZ2 LYS 11 HZ2 LYS 11 0.488 3.396 7.052 65 HZ3 LYS 11 HZ3 LYS 11 -1.130 3.876 7.129 66 H TYR 12 HN TYR 12 -4.158 -1.332 3.377 67 HA TYR 12 HA TYR 12 -5.546 0.071 1.205 68 HB2 TYR 12 HB2 TYR 12 -6.118 -2.572 2.485 69 HB3 TYR 12 HB1 TYR 12 -7.393 -1.662 1.695 70 HD1 TYR 12 HD1 TYR 12 -7.876 -2.274 -0.416 71 HD2 TYR 12 HD2 TYR 12 -3.866 -2.695 0.920 72 HE1 TYR 12 HE1 TYR 12 -7.267 -3.245 -2.582 73 HE2 TYR 12 HE2 TYR 12 -3.239 -3.676 -1.242 74 HH TYR 12 HH TYR 12 -4.305 -4.830 -3.125 75 H PHE 13 HN PHE 13 -7.246 1.272 1.651 76 HA PHE 13 HA PHE 13 -8.052 1.560 4.464 77 HB2 PHE 13 HB2 PHE 13 -7.160 3.587 3.209 78 HB3 PHE 13 HB1 PHE 13 -8.579 3.481 2.182 79 HD1 PHE 13 HD1 PHE 13 -10.855 3.713 3.265 80 HD2 PHE 13 HD2 PHE 13 -7.218 4.676 5.240 81 HE1 PHE 13 HE1 PHE 13 -12.098 5.102 4.869 82 HE2 PHE 13 HE2 PHE 13 -8.448 6.057 6.851 83 HZ PHE 13 HZ PHE 13 -10.895 6.275 6.674 84 H ARG 14 HN ARG 14 -9.753 0.314 4.810 85 HA ARG 14 HA ARG 14 -11.670 -0.862 4.556 86 HB2 ARG 14 HB2 ARG 14 -12.113 1.340 2.593 87 HB3 ARG 14 HB1 ARG 14 -13.194 -0.042 2.566 88 HG2 ARG 14 HG2 ARG 14 -14.009 1.899 3.916 89 HG3 ARG 14 HG1 ARG 14 -13.897 0.375 4.815 90 HD2 ARG 14 HD2 ARG 14 -11.742 1.090 5.748 91 HD3 ARG 14 HD1 ARG 14 -11.849 2.599 4.850 92 HE ARG 14 HE ARG 14 -14.140 2.486 6.369 93 HH11 ARG 14 HH11 ARG 14 -10.696 2.418 7.020 94 HH12 ARG 14 HH12 ARG 14 -10.848 3.192 8.566 95 HH21 ARG 14 HH21 ARG 14 -14.333 3.491 8.406 96 HH22 ARG 14 HH22 ARG 14 -12.910 3.800 9.351 97 H ASN 15 HN ASN 15 -11.172 -0.076 1.152 98 HA ASN 15 HA ASN 15 -10.029 -2.681 0.644 99 HB2 ASN 15 HB2 ASN 15 -12.530 -2.929 0.560 100 HB3 ASN 15 HB1 ASN 15 -12.519 -1.834 -0.811 101 HD21 ASN 15 HD21 ASN 15 -10.116 -4.288 -0.107 102 HD22 ASN 15 HD22 ASN 15 -10.449 -5.271 -1.491 103 H SER 16 HN SER 16 -9.505 0.322 0.392 104 HA SER 16 HA SER 16 -8.850 0.360 -2.488 105 HB2 SER 16 HB2 SER 16 -9.235 2.657 -0.548 106 HB3 SER 16 HB1 SER 16 -8.752 2.834 -2.235 107 HG SER 16 HG SER 16 -10.789 2.786 -2.689 108 H GLN 17 HN GLN 17 -6.746 0.098 -2.964 109 HA GLN 17 HA GLN 17 -4.777 0.039 -0.890 110 HB2 GLN 17 HB2 GLN 17 -4.694 -1.312 -3.035 111 HB3 GLN 17 HB1 GLN 17 -4.213 0.173 -3.850 112 HG2 GLN 17 HG2 GLN 17 -2.278 0.335 -2.349 113 HG3 GLN 17 HG1 GLN 17 -2.753 -1.171 -1.589 114 HE21 GLN 17 HE21 GLN 17 -1.284 0.282 -4.355 115 HE22 GLN 17 HE22 GLN 17 -0.761 -1.190 -5.093 116 H ILE 18 HN ILE 18 -4.045 1.788 0.046 117 HA ILE 18 HA ILE 18 -4.245 4.339 -1.328 118 HB ILE 18 HB ILE 18 -3.594 5.260 0.952 119 HG12 ILE 18 HG12 ILE 18 -4.375 2.487 1.841 120 HG13 ILE 18 HG11 ILE 18 -2.722 3.083 1.832 121 HG21 ILE 18 HG21 ILE 18 -5.875 5.057 1.774 122 HG22 ILE 18 HG22 ILE 18 -6.149 3.701 0.679 123 HG23 ILE 18 HG23 ILE 18 -5.853 5.313 0.030 124 HD11 ILE 18 HD11 ILE 18 -3.339 4.790 3.450 125 HD12 ILE 18 HD12 ILE 18 -3.719 3.171 4.042 126 HD13 ILE 18 HD13 ILE 18 -5.003 4.209 3.423 127 H CYS 19 HN CYS 19 -1.904 2.030 -0.546 128 HA CYS 19 HA CYS 19 0.080 3.361 -2.023 129 HB2 CYS 19 HB2 CYS 19 1.716 3.832 -0.339 130 HB3 CYS 19 HB1 CYS 19 0.242 4.695 0.064 131 H HIS 20 HN HIS 20 2.160 2.156 -1.905 132 HA HIS 20 HA HIS 20 1.782 -0.633 -1.077 133 HB2 HIS 20 HB2 HIS 20 3.032 -1.412 -2.987 134 HB3 HIS 20 HB1 HIS 20 1.670 -0.465 -3.546 135 HD1 HIS 20 HD1 HIS 20 5.288 -0.780 -3.846 136 HD2 HIS 20 HD2 HIS 20 2.447 2.185 -4.458 137 HE1 HIS 20 HE1 HIS 20 6.424 0.958 -5.256 138 HE2 HIS 20 HE2 HIS 20 4.642 2.673 -5.743 139 H CYS 21 HN CYS 21 3.926 -1.719 -0.758 140 HA CYS 21 HA CYS 21 5.731 0.200 0.515 141 HB2 CYS 21 HB2 CYS 21 5.265 -2.734 0.790 142 HB3 CYS 21 HB1 CYS 21 6.825 -2.083 1.257 143 H CYS 22 HN CYS 22 7.912 0.309 0.012 144 HA CYS 22 HA CYS 22 8.442 -0.180 -2.788 145 HB2 CYS 22 HB2 CYS 22 9.378 1.641 -0.737 146 HB3 CYS 22 HB1 CYS 22 10.708 0.942 -1.648 147 HN1 NH2 23 HN1 NH2 23 8.472 -2.512 -2.423 148 HN2 NH2 23 HN2 NH2 23 9.946 -3.259 -1.928 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 2.068 5.036 -4.125 2 H2 MET 1 HT2 MET 1 3.658 5.181 -4.680 3 H3 MET 1 HT3 MET 1 2.623 6.515 -4.728 4 HA MET 1 HA MET 1 4.148 6.760 -2.913 5 HB2 MET 1 HB2 MET 1 1.875 7.618 -2.615 6 HB3 MET 1 HB1 MET 1 1.344 6.046 -2.029 7 HG2 MET 1 HG2 MET 1 1.660 7.571 -0.194 8 HG3 MET 1 HG1 MET 1 2.830 6.262 -0.108 9 HE1 MET 1 HE1 MET 1 4.215 7.660 1.664 10 HE2 MET 1 HE2 MET 1 3.024 8.954 1.546 11 HE3 MET 1 HE3 MET 1 4.741 9.322 1.396 12 H CYS 2 HN CYS 2 5.619 5.658 -1.829 13 HA CYS 2 HA CYS 2 5.059 2.914 -1.046 14 HB2 CYS 2 HB2 CYS 2 7.582 4.507 -1.258 15 HB3 CYS 2 HB1 CYS 2 7.537 2.975 -0.401 16 H CYS 3 HN CYS 3 4.874 2.189 0.932 17 HA CYS 3 HA CYS 3 5.137 4.087 3.155 18 HB2 CYS 3 HB2 CYS 3 3.350 1.712 2.718 19 HB3 CYS 3 HB1 CYS 3 3.598 2.402 4.315 20 H GLY 4 HN GLY 4 7.082 2.002 1.816 21 HA2 GLY 4 HA2 GLY 4 8.692 1.565 3.981 22 HA3 GLY 4 HA1 GLY 4 7.653 0.157 3.901 23 H GLU 5 HN GLU 5 10.525 1.508 2.851 24 HA GLU 5 HA GLU 5 10.747 0.031 0.399 25 HB2 GLU 5 HB2 GLU 5 12.939 0.901 0.226 26 HB3 GLU 5 HB1 GLU 5 11.970 2.190 0.929 27 HG2 GLU 5 HG2 GLU 5 12.866 1.793 3.093 28 HG3 GLU 5 HG1 GLU 5 13.655 0.310 2.555 29 H GLY 6 HN GLY 6 11.974 -1.815 0.045 30 HA2 GLY 6 HA2 GLY 6 13.033 -3.796 0.576 31 HA3 GLY 6 HA1 GLY 6 13.261 -3.195 2.210 32 H SER 7 HN SER 7 10.088 -2.851 1.297 33 HA SER 7 HA SER 7 9.322 -5.375 2.585 34 HB2 SER 7 HB2 SER 7 8.165 -2.621 3.048 35 HB3 SER 7 HB1 SER 7 7.588 -4.115 3.796 36 HG SER 7 HG SER 7 10.260 -3.805 4.136 37 H SER 8 HN SER 8 7.028 -5.959 2.166 38 HA SER 8 HA SER 8 6.155 -5.037 -0.488 39 HB2 SER 8 HB2 SER 8 7.178 -7.300 -0.553 40 HB3 SER 8 HB1 SER 8 5.975 -7.854 0.609 41 HG SER 8 HG SER 8 4.441 -6.957 -1.105 42 H CYS 9 HN CYS 9 5.310 -3.980 1.969 43 HA CYS 9 HA CYS 9 2.660 -5.054 2.505 44 HB2 CYS 9 HB2 CYS 9 2.951 -3.012 4.218 45 HB3 CYS 9 HB1 CYS 9 3.591 -4.624 4.525 46 HA PRO 10 HA PRO 10 1.010 -1.312 0.582 47 HB2 PRO 10 HB2 PRO 10 -1.067 -2.312 -0.692 48 HB3 PRO 10 HB1 PRO 10 0.558 -2.499 -1.355 49 HG2 PRO 10 HG2 PRO 10 -1.124 -4.480 0.107 50 HG3 PRO 10 HG1 PRO 10 -0.052 -4.718 -1.283 51 HD2 PRO 10 HD2 PRO 10 0.605 -5.229 1.391 52 HD3 PRO 10 HD1 PRO 10 1.756 -5.066 0.055 53 H LYS 11 HN LYS 11 -0.754 -0.113 1.247 54 HA LYS 11 HA LYS 11 -2.217 -1.297 3.511 55 HB2 LYS 11 HB2 LYS 11 -1.500 1.600 3.001 56 HB3 LYS 11 HB1 LYS 11 -2.474 1.029 4.344 57 HG2 LYS 11 HG2 LYS 11 -0.549 -0.274 5.159 58 HG3 LYS 11 HG1 LYS 11 0.417 0.377 3.838 59 HD2 LYS 11 HD2 LYS 11 0.877 1.648 5.811 60 HD3 LYS 11 HD1 LYS 11 -0.046 2.659 4.698 61 HE2 LYS 11 HE2 LYS 11 -0.884 2.934 6.958 62 HE3 LYS 11 HE1 LYS 11 -2.098 2.140 5.959 63 HZ1 LYS 11 HZ1 LYS 11 -0.265 0.761 7.846 64 HZ2 LYS 11 HZ2 LYS 11 -1.476 0.024 6.925 65 HZ3 LYS 11 HZ3 LYS 11 -1.890 1.116 8.148 66 H TYR 12 HN TYR 12 -4.415 -1.239 3.459 67 HA TYR 12 HA TYR 12 -5.613 0.156 1.165 68 HB2 TYR 12 HB2 TYR 12 -6.373 -2.443 2.451 69 HB3 TYR 12 HB1 TYR 12 -7.503 -1.536 1.463 70 HD1 TYR 12 HD1 TYR 12 -3.885 -2.477 1.122 71 HD2 TYR 12 HD2 TYR 12 -7.774 -2.444 -0.585 72 HE1 TYR 12 HE1 TYR 12 -3.005 -3.585 -0.883 73 HE2 TYR 12 HE2 TYR 12 -6.906 -3.541 -2.599 74 HH TYR 12 HH TYR 12 -3.718 -4.870 -2.737 75 H PHE 13 HN PHE 13 -7.405 1.317 1.441 76 HA PHE 13 HA PHE 13 -8.383 1.700 4.190 77 HB2 PHE 13 HB2 PHE 13 -7.539 3.711 2.901 78 HB3 PHE 13 HB1 PHE 13 -8.857 3.462 1.768 79 HD1 PHE 13 HD1 PHE 13 -7.865 4.734 4.975 80 HD2 PHE 13 HD2 PHE 13 -11.197 3.735 2.532 81 HE1 PHE 13 HE1 PHE 13 -9.318 6.095 6.408 82 HE2 PHE 13 HE2 PHE 13 -12.660 5.099 3.957 83 HZ PHE 13 HZ PHE 13 -11.723 6.286 5.904 84 H ARG 14 HN ARG 14 -10.043 0.393 4.526 85 HA ARG 14 HA ARG 14 -11.868 -0.912 4.221 86 HB2 ARG 14 HB2 ARG 14 -12.332 1.190 2.157 87 HB3 ARG 14 HB1 ARG 14 -13.328 -0.253 2.126 88 HG2 ARG 14 HG2 ARG 14 -14.403 1.615 3.320 89 HG3 ARG 14 HG1 ARG 14 -14.141 0.212 4.363 90 HD2 ARG 14 HD2 ARG 14 -12.167 2.477 4.271 91 HD3 ARG 14 HD1 ARG 14 -13.607 2.576 5.279 92 HE ARG 14 HE ARG 14 -12.106 0.170 5.725 93 HH11 ARG 14 HH11 ARG 14 -12.367 3.561 6.572 94 HH12 ARG 14 HH12 ARG 14 -11.500 3.379 8.062 95 HH21 ARG 14 HH21 ARG 14 -10.992 -0.071 7.683 96 HH22 ARG 14 HH22 ARG 14 -10.726 1.310 8.702 97 H ASN 15 HN ASN 15 -11.307 -0.222 0.815 98 HA ASN 15 HA ASN 15 -10.028 -2.791 0.435 99 HB2 ASN 15 HB2 ASN 15 -12.593 -2.980 0.258 100 HB3 ASN 15 HB1 ASN 15 -12.406 -2.108 -1.254 101 HD21 ASN 15 HD21 ASN 15 -11.543 -5.012 0.477 102 HD22 ASN 15 HD22 ASN 15 -11.224 -5.979 -0.918 103 H SER 16 HN SER 16 -9.622 0.235 0.119 104 HA SER 16 HA SER 16 -8.783 0.201 -2.713 105 HB2 SER 16 HB2 SER 16 -9.311 2.601 -0.938 106 HB3 SER 16 HB1 SER 16 -8.922 2.639 -2.657 107 HG SER 16 HG SER 16 -10.982 1.048 -2.450 108 H GLN 17 HN GLN 17 -6.640 0.026 -3.014 109 HA GLN 17 HA GLN 17 -4.837 0.067 -0.808 110 HB2 GLN 17 HB2 GLN 17 -4.539 -1.303 -2.900 111 HB3 GLN 17 HB1 GLN 17 -4.102 0.183 -3.732 112 HG2 GLN 17 HG2 GLN 17 -2.235 0.484 -2.176 113 HG3 GLN 17 HG1 GLN 17 -2.675 -1.010 -1.369 114 HE21 GLN 17 HE21 GLN 17 -1.212 0.383 -4.188 115 HE22 GLN 17 HE22 GLN 17 -0.585 -1.089 -4.828 116 H ILE 18 HN ILE 18 -3.945 1.767 0.115 117 HA ILE 18 HA ILE 18 -4.143 4.345 -1.252 118 HB ILE 18 HB ILE 18 -3.640 5.251 1.091 119 HG12 ILE 18 HG12 ILE 18 -4.640 2.513 1.855 120 HG13 ILE 18 HG11 ILE 18 -2.975 3.044 2.039 121 HG21 ILE 18 HG21 ILE 18 -5.781 5.471 -0.026 122 HG22 ILE 18 HG22 ILE 18 -6.014 5.129 1.689 123 HG23 ILE 18 HG23 ILE 18 -6.233 3.847 0.496 124 HD11 ILE 18 HD11 ILE 18 -3.698 4.753 3.604 125 HD12 ILE 18 HD12 ILE 18 -4.212 3.147 4.124 126 HD13 ILE 18 HD13 ILE 18 -5.374 4.248 3.382 127 H CYS 19 HN CYS 19 -1.868 2.034 -0.365 128 HA CYS 19 HA CYS 19 0.182 3.416 -1.700 129 HB2 CYS 19 HB2 CYS 19 1.729 3.874 0.024 130 HB3 CYS 19 HB1 CYS 19 0.218 4.616 0.519 131 H HIS 20 HN HIS 20 2.252 2.182 -1.527 132 HA HIS 20 HA HIS 20 1.831 -0.613 -0.771 133 HB2 HIS 20 HB2 HIS 20 2.852 -1.443 -2.747 134 HB3 HIS 20 HB1 HIS 20 1.613 -0.321 -3.265 135 HD1 HIS 20 HD1 HIS 20 5.003 -1.210 -3.894 136 HD2 HIS 20 HD2 HIS 20 2.865 2.347 -3.860 137 HE1 HIS 20 HE1 HIS 20 6.389 0.422 -5.207 138 HE2 HIS 20 HE2 HIS 20 4.966 2.495 -5.359 139 H CYS 21 HN CYS 21 3.923 -1.745 -0.509 140 HA CYS 21 HA CYS 21 5.916 0.123 0.538 141 HB2 CYS 21 HB2 CYS 21 5.327 -2.769 0.971 142 HB3 CYS 21 HB1 CYS 21 6.944 -2.179 1.300 143 H CYS 22 HN CYS 22 7.701 0.523 -0.481 144 HA CYS 22 HA CYS 22 8.187 -0.104 -3.124 145 HB2 CYS 22 HB2 CYS 22 9.664 1.193 -0.929 146 HB3 CYS 22 HB1 CYS 22 10.651 0.587 -2.249 147 HN1 NH2 23 HN1 NH2 23 9.708 -1.446 -0.239 148 HN2 NH2 23 HN2 NH2 23 10.354 -2.843 -1.013 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 4.310 5.874 -4.598 2 H2 MET 1 HT2 MET 1 3.041 6.988 -4.643 3 H3 MET 1 HT3 MET 1 2.713 5.347 -4.417 4 HA MET 1 HA MET 1 4.236 7.051 -2.542 5 HB2 MET 1 HB2 MET 1 1.887 7.699 -2.579 6 HB3 MET 1 HB1 MET 1 1.403 6.018 -2.389 7 HG2 MET 1 HG2 MET 1 1.246 7.312 -0.313 8 HG3 MET 1 HG1 MET 1 2.331 5.933 -0.193 9 HE1 MET 1 HE1 MET 1 4.054 8.451 2.200 10 HE2 MET 1 HE2 MET 1 3.451 6.807 1.992 11 HE3 MET 1 HE3 MET 1 2.327 8.166 1.990 12 H CYS 2 HN CYS 2 5.789 5.712 -1.931 13 HA CYS 2 HA CYS 2 5.165 2.967 -1.203 14 HB2 CYS 2 HB2 CYS 2 7.749 4.500 -1.321 15 HB3 CYS 2 HB1 CYS 2 7.624 2.857 -0.718 16 H CYS 3 HN CYS 3 4.964 2.239 0.793 17 HA CYS 3 HA CYS 3 5.333 4.135 3.008 18 HB2 CYS 3 HB2 CYS 3 3.371 1.888 2.608 19 HB3 CYS 3 HB1 CYS 3 3.604 2.687 4.156 20 H GLY 4 HN GLY 4 7.298 2.102 1.844 21 HA2 GLY 4 HA2 GLY 4 8.645 1.431 4.099 22 HA3 GLY 4 HA1 GLY 4 7.533 0.096 3.874 23 H GLU 5 HN GLU 5 10.554 1.318 3.122 24 HA GLU 5 HA GLU 5 10.923 -0.042 0.628 25 HB2 GLU 5 HB2 GLU 5 13.166 0.700 0.716 26 HB3 GLU 5 HB1 GLU 5 12.202 1.998 1.405 27 HG2 GLU 5 HG2 GLU 5 12.810 1.280 3.646 28 HG3 GLU 5 HG1 GLU 5 13.748 -0.051 2.968 29 H GLY 6 HN GLY 6 12.230 -1.874 0.273 30 HA2 GLY 6 HA2 GLY 6 13.044 -3.979 0.708 31 HA3 GLY 6 HA1 GLY 6 13.258 -3.483 2.380 32 H SER 7 HN SER 7 10.149 -2.947 1.261 33 HA SER 7 HA SER 7 9.164 -5.415 2.499 34 HB2 SER 7 HB2 SER 7 8.168 -2.593 2.912 35 HB3 SER 7 HB1 SER 7 7.436 -4.044 3.605 36 HG SER 7 HG SER 7 10.085 -3.110 4.079 37 H SER 8 HN SER 8 6.881 -5.886 1.926 38 HA SER 8 HA SER 8 6.139 -4.798 -0.706 39 HB2 SER 8 HB2 SER 8 7.117 -7.093 -0.864 40 HB3 SER 8 HB1 SER 8 5.819 -7.677 0.175 41 HG SER 8 HG SER 8 4.364 -7.328 -1.405 42 H CYS 9 HN CYS 9 5.299 -4.066 1.950 43 HA CYS 9 HA CYS 9 2.634 -5.094 2.369 44 HB2 CYS 9 HB2 CYS 9 2.920 -3.162 4.197 45 HB3 CYS 9 HB1 CYS 9 3.594 -4.777 4.401 46 HA PRO 10 HA PRO 10 0.993 -1.271 0.603 47 HB2 PRO 10 HB2 PRO 10 -1.132 -2.203 -0.630 48 HB3 PRO 10 HB1 PRO 10 0.472 -2.439 -1.325 49 HG2 PRO 10 HG2 PRO 10 -1.243 -4.367 0.169 50 HG3 PRO 10 HG1 PRO 10 -0.206 -4.641 -1.240 51 HD2 PRO 10 HD2 PRO 10 0.479 -5.164 1.424 52 HD3 PRO 10 HD1 PRO 10 1.610 -5.055 0.067 53 H LYS 11 HN LYS 11 -0.755 -0.039 1.272 54 HA LYS 11 HA LYS 11 -2.183 -1.171 3.585 55 HB2 LYS 11 HB2 LYS 11 -1.445 1.705 2.995 56 HB3 LYS 11 HB1 LYS 11 -2.444 1.189 4.343 57 HG2 LYS 11 HG2 LYS 11 -0.562 -0.104 5.239 58 HG3 LYS 11 HG1 LYS 11 0.433 0.440 3.892 59 HD2 LYS 11 HD2 LYS 11 0.848 1.750 5.921 60 HD3 LYS 11 HD1 LYS 11 0.210 2.742 4.610 61 HE2 LYS 11 HE2 LYS 11 -2.035 2.593 5.623 62 HE3 LYS 11 HE1 LYS 11 -1.360 1.649 6.950 63 HZ1 LYS 11 HZ1 LYS 11 -0.569 4.425 6.259 64 HZ2 LYS 11 HZ2 LYS 11 0.002 3.522 7.569 65 HZ3 LYS 11 HZ3 LYS 11 -1.619 3.995 7.512 66 H TYR 12 HN TYR 12 -4.389 -1.019 3.636 67 HA TYR 12 HA TYR 12 -5.617 0.180 1.250 68 HB2 TYR 12 HB2 TYR 12 -6.289 -2.346 2.700 69 HB3 TYR 12 HB1 TYR 12 -7.506 -1.508 1.754 70 HD1 TYR 12 HD1 TYR 12 -7.902 -2.625 -0.171 71 HD2 TYR 12 HD2 TYR 12 -3.883 -2.274 1.151 72 HE1 TYR 12 HE1 TYR 12 -7.147 -3.782 -2.194 73 HE2 TYR 12 HE2 TYR 12 -3.111 -3.436 -0.867 74 HH TYR 12 HH TYR 12 -5.117 -3.968 -3.557 75 H PHE 13 HN PHE 13 -7.486 1.257 1.447 76 HA PHE 13 HA PHE 13 -8.466 1.822 4.165 77 HB2 PHE 13 HB2 PHE 13 -7.656 3.771 2.760 78 HB3 PHE 13 HB1 PHE 13 -8.958 3.417 1.636 79 HD1 PHE 13 HD1 PHE 13 -11.331 3.546 2.483 80 HD2 PHE 13 HD2 PHE 13 -8.004 5.075 4.635 81 HE1 PHE 13 HE1 PHE 13 -12.845 4.969 3.796 82 HE2 PHE 13 HE2 PHE 13 -9.503 6.498 5.959 83 HZ PHE 13 HZ PHE 13 -11.934 6.450 5.544 84 H ARG 14 HN ARG 14 -10.123 0.509 4.562 85 HA ARG 14 HA ARG 14 -11.870 -0.904 4.293 86 HB2 ARG 14 HB2 ARG 14 -12.425 0.957 1.993 87 HB3 ARG 14 HB1 ARG 14 -13.465 -0.403 2.362 88 HG2 ARG 14 HG2 ARG 14 -13.945 0.531 4.558 89 HG3 ARG 14 HG1 ARG 14 -12.833 1.874 4.249 90 HD2 ARG 14 HD2 ARG 14 -15.104 2.611 3.855 91 HD3 ARG 14 HD1 ARG 14 -14.231 2.547 2.326 92 HE ARG 14 HE ARG 14 -16.123 0.449 3.188 93 HH11 ARG 14 HH11 ARG 14 -14.823 2.595 0.739 94 HH12 ARG 14 HH12 ARG 14 -15.846 1.984 -0.517 95 HH21 ARG 14 HH21 ARG 14 -17.467 -0.358 1.528 96 HH22 ARG 14 HH22 ARG 14 -17.347 0.305 -0.069 97 H ASN 15 HN ASN 15 -11.425 -0.362 0.844 98 HA ASN 15 HA ASN 15 -10.146 -2.973 0.577 99 HB2 ASN 15 HB2 ASN 15 -12.682 -2.109 -0.778 100 HB3 ASN 15 HB1 ASN 15 -11.667 -3.384 -1.423 101 HD21 ASN 15 HD21 ASN 15 -10.910 -4.452 1.129 102 HD22 ASN 15 HD22 ASN 15 -12.305 -5.244 1.773 103 H SER 16 HN SER 16 -9.687 0.095 0.135 104 HA SER 16 HA SER 16 -8.771 -0.126 -2.663 105 HB2 SER 16 HB2 SER 16 -10.493 1.638 -2.132 106 HB3 SER 16 HB1 SER 16 -9.295 2.413 -1.099 107 HG SER 16 HG SER 16 -9.457 3.212 -3.319 108 H GLN 17 HN GLN 17 -6.638 -0.287 -2.938 109 HA GLN 17 HA GLN 17 -4.803 -0.047 -0.781 110 HB2 GLN 17 HB2 GLN 17 -4.460 -1.481 -2.810 111 HB3 GLN 17 HB1 GLN 17 -4.151 -0.015 -3.729 112 HG2 GLN 17 HG2 GLN 17 -2.262 0.482 -2.244 113 HG3 GLN 17 HG1 GLN 17 -2.568 -1.010 -1.376 114 HE21 GLN 17 HE21 GLN 17 -1.275 0.387 -4.263 115 HE22 GLN 17 HE22 GLN 17 -0.597 -1.067 -4.899 116 H ILE 18 HN ILE 18 -4.020 1.741 0.077 117 HA ILE 18 HA ILE 18 -4.291 4.239 -1.406 118 HB ILE 18 HB ILE 18 -3.772 5.279 0.872 119 HG12 ILE 18 HG12 ILE 18 -4.643 2.549 1.810 120 HG13 ILE 18 HG11 ILE 18 -2.998 3.156 1.925 121 HG21 ILE 18 HG21 ILE 18 -6.116 5.119 1.537 122 HG22 ILE 18 HG22 ILE 18 -6.323 3.746 0.448 123 HG23 ILE 18 HG23 ILE 18 -5.950 5.342 -0.204 124 HD11 ILE 18 HD11 ILE 18 -5.417 4.329 3.259 125 HD12 ILE 18 HD12 ILE 18 -3.762 4.927 3.404 126 HD13 ILE 18 HD13 ILE 18 -4.183 3.332 4.030 127 H CYS 19 HN CYS 19 -1.918 2.064 -0.299 128 HA CYS 19 HA CYS 19 0.066 3.397 -1.800 129 HB2 CYS 19 HB2 CYS 19 1.594 4.086 -0.164 130 HB3 CYS 19 HB1 CYS 19 0.048 4.731 0.362 131 H HIS 20 HN HIS 20 2.191 2.240 -1.553 132 HA HIS 20 HA HIS 20 1.798 -0.542 -0.731 133 HB2 HIS 20 HB2 HIS 20 2.898 -1.367 -2.708 134 HB3 HIS 20 HB1 HIS 20 1.524 -0.393 -3.183 135 HD1 HIS 20 HD1 HIS 20 5.035 -0.877 -3.839 136 HD2 HIS 20 HD2 HIS 20 2.359 2.288 -4.065 137 HE1 HIS 20 HE1 HIS 20 6.142 0.836 -5.302 138 HE2 HIS 20 HE2 HIS 20 4.411 2.643 -5.601 139 H CYS 21 HN CYS 21 3.897 -1.678 -0.514 140 HA CYS 21 HA CYS 21 5.865 0.172 0.606 141 HB2 CYS 21 HB2 CYS 21 5.300 -2.745 0.931 142 HB3 CYS 21 HB1 CYS 21 6.909 -2.150 1.289 143 H CYS 22 HN CYS 22 7.741 0.538 -0.292 144 HA CYS 22 HA CYS 22 8.148 -0.020 -3.014 145 HB2 CYS 22 HB2 CYS 22 9.339 1.608 -0.964 146 HB3 CYS 22 HB1 CYS 22 10.586 0.835 -1.931 147 HN1 NH2 23 HN1 NH2 23 9.698 -1.240 -0.101 148 HN2 NH2 23 HN2 NH2 23 10.492 -2.566 -0.865 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 2.709 5.508 -4.182 2 H2 MET 1 HT2 MET 1 4.301 6.026 -4.384 3 H3 MET 1 HT3 MET 1 3.049 7.157 -4.331 4 HA MET 1 HA MET 1 4.282 7.109 -2.265 5 HB2 MET 1 HB2 MET 1 1.939 7.736 -2.174 6 HB3 MET 1 HB1 MET 1 1.459 6.044 -2.114 7 HG2 MET 1 HG2 MET 1 1.338 7.153 0.065 8 HG3 MET 1 HG1 MET 1 2.437 5.780 0.050 9 HE1 MET 1 HE1 MET 1 4.235 8.034 2.614 10 HE2 MET 1 HE2 MET 1 3.611 6.427 2.245 11 HE3 MET 1 HE3 MET 1 2.499 7.781 2.442 12 H CYS 2 HN CYS 2 5.872 5.761 -1.750 13 HA CYS 2 HA CYS 2 5.292 2.965 -1.187 14 HB2 CYS 2 HB2 CYS 2 7.842 4.541 -1.350 15 HB3 CYS 2 HB1 CYS 2 7.792 2.913 -0.691 16 H CYS 3 HN CYS 3 4.838 2.256 0.735 17 HA CYS 3 HA CYS 3 5.244 4.015 3.035 18 HB2 CYS 3 HB2 CYS 3 3.394 1.703 2.521 19 HB3 CYS 3 HB1 CYS 3 3.604 2.404 4.121 20 H GLY 4 HN GLY 4 7.305 2.154 1.795 21 HA2 GLY 4 HA2 GLY 4 8.822 1.592 3.910 22 HA3 GLY 4 HA1 GLY 4 7.735 0.220 3.897 23 H GLU 5 HN GLU 5 10.603 1.513 2.696 24 HA GLU 5 HA GLU 5 10.728 -0.136 0.345 25 HB2 GLU 5 HB2 GLU 5 12.853 0.777 -0.047 26 HB3 GLU 5 HB1 GLU 5 11.929 2.087 0.671 27 HG2 GLU 5 HG2 GLU 5 13.031 1.849 2.746 28 HG3 GLU 5 HG1 GLU 5 13.755 0.317 2.254 29 H GLY 6 HN GLY 6 11.988 -1.963 0.056 30 HA2 GLY 6 HA2 GLY 6 13.011 -3.939 0.691 31 HA3 GLY 6 HA1 GLY 6 13.263 -3.257 2.294 32 H SER 7 HN SER 7 10.128 -2.839 1.314 33 HA SER 7 HA SER 7 9.212 -5.205 2.787 34 HB2 SER 7 HB2 SER 7 8.128 -2.384 2.891 35 HB3 SER 7 HB1 SER 7 7.474 -3.770 3.772 36 HG SER 7 HG SER 7 9.764 -3.902 4.612 37 H SER 8 HN SER 8 6.940 -5.791 2.295 38 HA SER 8 HA SER 8 6.197 -5.074 -0.464 39 HB2 SER 8 HB2 SER 8 7.259 -7.366 -0.174 40 HB3 SER 8 HB1 SER 8 5.839 -7.811 0.768 41 HG SER 8 HG SER 8 5.780 -6.852 -1.907 42 H CYS 9 HN CYS 9 5.280 -3.985 2.047 43 HA CYS 9 HA CYS 9 2.629 -5.064 2.520 44 HB2 CYS 9 HB2 CYS 9 2.850 -2.979 4.200 45 HB3 CYS 9 HB1 CYS 9 3.506 -4.576 4.553 46 HA PRO 10 HA PRO 10 0.927 -1.418 0.462 47 HB2 PRO 10 HB2 PRO 10 -1.137 -2.500 -0.759 48 HB3 PRO 10 HB1 PRO 10 0.491 -2.700 -1.414 49 HG2 PRO 10 HG2 PRO 10 -1.168 -4.624 0.149 50 HG3 PRO 10 HG1 PRO 10 -0.098 -4.921 -1.232 51 HD2 PRO 10 HD2 PRO 10 0.571 -5.294 1.461 52 HD3 PRO 10 HD1 PRO 10 1.719 -5.183 0.116 53 H LYS 11 HN LYS 11 -0.776 -0.182 1.146 54 HA LYS 11 HA LYS 11 -2.216 -1.300 3.456 55 HB2 LYS 11 HB2 LYS 11 -1.449 1.584 2.947 56 HB3 LYS 11 HB1 LYS 11 -2.298 0.981 4.359 57 HG2 LYS 11 HG2 LYS 11 -0.320 -0.380 4.933 58 HG3 LYS 11 HG1 LYS 11 0.524 0.322 3.559 59 HD2 LYS 11 HD2 LYS 11 1.196 1.506 5.516 60 HD3 LYS 11 HD1 LYS 11 0.156 2.570 4.566 61 HE2 LYS 11 HE2 LYS 11 -0.405 2.709 6.927 62 HE3 LYS 11 HE1 LYS 11 -1.738 2.000 6.021 63 HZ1 LYS 11 HZ1 LYS 11 -1.321 0.809 8.082 64 HZ2 LYS 11 HZ2 LYS 11 0.267 0.488 7.606 65 HZ3 LYS 11 HZ3 LYS 11 -1.022 -0.187 6.749 66 H TYR 12 HN TYR 12 -4.412 -1.042 3.541 67 HA TYR 12 HA TYR 12 -5.627 0.234 1.189 68 HB2 TYR 12 HB2 TYR 12 -6.357 -2.327 2.560 69 HB3 TYR 12 HB1 TYR 12 -7.510 -1.459 1.563 70 HD1 TYR 12 HD1 TYR 12 -3.952 -2.641 1.302 71 HD2 TYR 12 HD2 TYR 12 -7.739 -2.186 -0.563 72 HE1 TYR 12 HE1 TYR 12 -3.107 -3.814 -0.683 73 HE2 TYR 12 HE2 TYR 12 -6.909 -3.343 -2.558 74 HH TYR 12 HH TYR 12 -4.131 -5.166 -2.594 75 H PHE 13 HN PHE 13 -7.513 1.292 1.425 76 HA PHE 13 HA PHE 13 -8.482 1.769 4.164 77 HB2 PHE 13 HB2 PHE 13 -7.718 3.776 2.864 78 HB3 PHE 13 HB1 PHE 13 -8.949 3.418 1.664 79 HD1 PHE 13 HD1 PHE 13 -11.349 3.570 2.294 80 HD2 PHE 13 HD2 PHE 13 -8.221 4.890 4.842 81 HE1 PHE 13 HE1 PHE 13 -12.966 4.914 3.567 82 HE2 PHE 13 HE2 PHE 13 -9.821 6.234 6.128 83 HZ PHE 13 HZ PHE 13 -12.202 6.248 5.496 84 H ARG 14 HN ARG 14 -10.130 0.452 4.549 85 HA ARG 14 HA ARG 14 -11.870 -0.970 4.268 86 HB2 ARG 14 HB2 ARG 14 -12.453 0.908 1.982 87 HB3 ARG 14 HB1 ARG 14 -13.476 -0.468 2.345 88 HG2 ARG 14 HG2 ARG 14 -13.930 0.453 4.571 89 HG3 ARG 14 HG1 ARG 14 -12.867 1.826 4.223 90 HD2 ARG 14 HD2 ARG 14 -15.160 2.507 3.875 91 HD3 ARG 14 HD1 ARG 14 -14.340 2.427 2.318 92 HE ARG 14 HE ARG 14 -15.940 0.120 3.163 93 HH11 ARG 14 HH11 ARG 14 -15.578 2.928 1.108 94 HH12 ARG 14 HH12 ARG 14 -16.803 2.427 -0.013 95 HH21 ARG 14 HH21 ARG 14 -17.568 -0.535 1.689 96 HH22 ARG 14 HH22 ARG 14 -17.930 0.464 0.316 97 H ASN 15 HN ASN 15 -11.540 -0.419 0.825 98 HA ASN 15 HA ASN 15 -10.085 -2.931 0.512 99 HB2 ASN 15 HB2 ASN 15 -12.624 -2.184 -0.924 100 HB3 ASN 15 HB1 ASN 15 -11.561 -3.478 -1.438 101 HD21 ASN 15 HD21 ASN 15 -10.943 -4.362 1.243 102 HD22 ASN 15 HD22 ASN 15 -12.363 -5.152 1.835 103 H SER 16 HN SER 16 -9.812 0.165 0.138 104 HA SER 16 HA SER 16 -8.941 0.100 -2.682 105 HB2 SER 16 HB2 SER 16 -10.663 1.816 -2.004 106 HB3 SER 16 HB1 SER 16 -9.447 2.537 -0.952 107 HG SER 16 HG SER 16 -9.691 2.620 -3.706 108 H GLN 17 HN GLN 17 -6.795 0.078 -3.054 109 HA GLN 17 HA GLN 17 -5.013 0.059 -0.810 110 HB2 GLN 17 HB2 GLN 17 -4.746 -1.312 -2.930 111 HB3 GLN 17 HB1 GLN 17 -4.199 0.168 -3.707 112 HG2 GLN 17 HG2 GLN 17 -2.392 0.339 -2.057 113 HG3 GLN 17 HG1 GLN 17 -2.934 -1.160 -1.323 114 HE21 GLN 17 HE21 GLN 17 -1.291 0.263 -4.012 115 HE22 GLN 17 HE22 GLN 17 -0.709 -1.212 -4.693 116 H ILE 18 HN ILE 18 -4.063 1.744 0.094 117 HA ILE 18 HA ILE 18 -4.277 4.316 -1.268 118 HB ILE 18 HB ILE 18 -3.690 5.233 1.051 119 HG12 ILE 18 HG12 ILE 18 -4.652 2.492 1.858 120 HG13 ILE 18 HG11 ILE 18 -2.994 3.053 2.016 121 HG21 ILE 18 HG21 ILE 18 -6.307 3.835 0.566 122 HG22 ILE 18 HG22 ILE 18 -5.866 5.446 -0.001 123 HG23 ILE 18 HG23 ILE 18 -6.038 5.134 1.727 124 HD11 ILE 18 HD11 ILE 18 -4.149 3.166 4.124 125 HD12 ILE 18 HD12 ILE 18 -5.411 4.166 3.405 126 HD13 ILE 18 HD13 ILE 18 -3.770 4.793 3.558 127 H CYS 19 HN CYS 19 -1.962 2.006 -0.343 128 HA CYS 19 HA CYS 19 0.039 3.368 -1.791 129 HB2 CYS 19 HB2 CYS 19 1.601 3.946 -0.139 130 HB3 CYS 19 HB1 CYS 19 0.074 4.603 0.423 131 H HIS 20 HN HIS 20 2.176 2.194 -1.525 132 HA HIS 20 HA HIS 20 1.790 -0.608 -0.794 133 HB2 HIS 20 HB2 HIS 20 2.887 -1.391 -2.786 134 HB3 HIS 20 HB1 HIS 20 1.517 -0.407 -3.252 135 HD1 HIS 20 HD1 HIS 20 5.034 -0.868 -3.878 136 HD2 HIS 20 HD2 HIS 20 2.360 2.303 -4.063 137 HE1 HIS 20 HE1 HIS 20 6.172 0.890 -5.265 138 HE2 HIS 20 HE2 HIS 20 4.467 2.731 -5.511 139 H CYS 21 HN CYS 21 3.873 -1.717 -0.523 140 HA CYS 21 HA CYS 21 5.839 0.164 0.551 141 HB2 CYS 21 HB2 CYS 21 5.250 -2.731 0.987 142 HB3 CYS 21 HB1 CYS 21 6.862 -2.136 1.334 143 H CYS 22 HN CYS 22 7.716 0.500 -0.349 144 HA CYS 22 HA CYS 22 8.131 -0.062 -3.051 145 HB2 CYS 22 HB2 CYS 22 9.393 1.478 -0.968 146 HB3 CYS 22 HB1 CYS 22 10.603 0.684 -1.965 147 HN1 NH2 23 HN1 NH2 23 9.542 -1.466 -0.168 148 HN2 NH2 23 HN2 NH2 23 10.325 -2.779 -0.966 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 2.791 6.832 -4.591 2 H2 MET 1 HT2 MET 1 2.419 5.229 -4.220 3 H3 MET 1 HT3 MET 1 3.991 5.647 -4.664 4 HA MET 1 HA MET 1 4.260 6.960 -2.684 5 HB2 MET 1 HB2 MET 1 1.898 7.625 -2.452 6 HB3 MET 1 HB1 MET 1 1.478 5.975 -2.014 7 HG2 MET 1 HG2 MET 1 2.977 6.180 -0.047 8 HG3 MET 1 HG1 MET 1 3.222 7.868 -0.471 9 HE1 MET 1 HE1 MET 1 2.192 6.844 2.387 10 HE2 MET 1 HE2 MET 1 0.958 8.062 2.715 11 HE3 MET 1 HE3 MET 1 2.490 8.535 1.981 12 H CYS 2 HN CYS 2 5.813 5.739 -1.891 13 HA CYS 2 HA CYS 2 5.314 2.945 -1.250 14 HB2 CYS 2 HB2 CYS 2 7.817 4.608 -1.318 15 HB3 CYS 2 HB1 CYS 2 7.780 2.958 -0.719 16 H CYS 3 HN CYS 3 4.828 2.268 0.690 17 HA CYS 3 HA CYS 3 5.154 4.090 2.958 18 HB2 CYS 3 HB2 CYS 3 3.319 1.775 2.432 19 HB3 CYS 3 HB1 CYS 3 3.532 2.437 4.049 20 H GLY 4 HN GLY 4 7.150 1.994 1.741 21 HA2 GLY 4 HA2 GLY 4 8.577 1.517 4.018 22 HA3 GLY 4 HA1 GLY 4 7.519 0.131 3.859 23 H GLU 5 HN GLU 5 10.472 1.465 3.001 24 HA GLU 5 HA GLU 5 10.840 -0.064 0.597 25 HB2 GLU 5 HB2 GLU 5 13.009 0.836 0.500 26 HB3 GLU 5 HB1 GLU 5 12.020 2.119 1.176 27 HG2 GLU 5 HG2 GLU 5 12.858 1.717 3.365 28 HG3 GLU 5 HG1 GLU 5 13.676 0.246 2.837 29 H GLY 6 HN GLY 6 12.069 -1.918 0.352 30 HA2 GLY 6 HA2 GLY 6 13.038 -3.916 0.975 31 HA3 GLY 6 HA1 GLY 6 13.224 -3.276 2.601 32 H SER 7 HN SER 7 10.112 -2.882 1.491 33 HA SER 7 HA SER 7 9.194 -5.368 2.738 34 HB2 SER 7 HB2 SER 7 8.104 -2.579 3.138 35 HB3 SER 7 HB1 SER 7 7.381 -4.054 3.791 36 HG SER 7 HG SER 7 9.845 -4.188 4.543 37 H SER 8 HN SER 8 7.018 -6.012 2.086 38 HA SER 8 HA SER 8 6.224 -4.918 -0.527 39 HB2 SER 8 HB2 SER 8 6.123 -7.800 0.388 40 HB3 SER 8 HB1 SER 8 5.523 -7.205 -1.160 41 HG SER 8 HG SER 8 7.505 -7.748 -1.724 42 H CYS 9 HN CYS 9 5.249 -3.944 1.848 43 HA CYS 9 HA CYS 9 2.626 -5.116 2.316 44 HB2 CYS 9 HB2 CYS 9 2.801 -3.066 4.045 45 HB3 CYS 9 HB1 CYS 9 3.484 -4.658 4.369 46 HA PRO 10 HA PRO 10 0.932 -1.434 0.312 47 HB2 PRO 10 HB2 PRO 10 -1.124 -2.481 -0.947 48 HB3 PRO 10 HB1 PRO 10 0.508 -2.676 -1.594 49 HG2 PRO 10 HG2 PRO 10 -1.157 -4.623 -0.062 50 HG3 PRO 10 HG1 PRO 10 -0.109 -4.898 -1.462 51 HD2 PRO 10 HD2 PRO 10 0.607 -5.352 1.195 52 HD3 PRO 10 HD1 PRO 10 1.740 -5.162 -0.153 53 H LYS 11 HN LYS 11 -0.725 -0.203 1.059 54 HA LYS 11 HA LYS 11 -2.166 -1.373 3.338 55 HB2 LYS 11 HB2 LYS 11 -1.366 1.506 2.858 56 HB3 LYS 11 HB1 LYS 11 -2.284 0.927 4.237 57 HG2 LYS 11 HG2 LYS 11 -0.344 -0.508 4.851 58 HG3 LYS 11 HG1 LYS 11 0.562 0.254 3.550 59 HD2 LYS 11 HD2 LYS 11 1.067 1.288 5.696 60 HD3 LYS 11 HD1 LYS 11 0.270 2.431 4.612 61 HE2 LYS 11 HE2 LYS 11 -0.603 2.547 6.917 62 HE3 LYS 11 HE1 LYS 11 -1.840 2.094 5.748 63 HZ1 LYS 11 HZ1 LYS 11 -0.365 0.187 7.483 64 HZ2 LYS 11 HZ2 LYS 11 -1.620 -0.197 6.418 65 HZ3 LYS 11 HZ3 LYS 11 -1.932 0.755 7.777 66 H TYR 12 HN TYR 12 -4.336 -1.231 3.397 67 HA TYR 12 HA TYR 12 -5.610 0.199 1.171 68 HB2 TYR 12 HB2 TYR 12 -6.303 -2.445 2.404 69 HB3 TYR 12 HB1 TYR 12 -7.470 -1.523 1.474 70 HD1 TYR 12 HD1 TYR 12 -3.895 -2.599 1.072 71 HD2 TYR 12 HD2 TYR 12 -7.752 -2.205 -0.659 72 HE1 TYR 12 HE1 TYR 12 -3.068 -3.649 -0.984 73 HE2 TYR 12 HE2 TYR 12 -6.940 -3.246 -2.726 74 HH TYR 12 HH TYR 12 -4.733 -3.550 -3.897 75 H PHE 13 HN PHE 13 -7.450 1.289 1.553 76 HA PHE 13 HA PHE 13 -8.298 1.572 4.355 77 HB2 PHE 13 HB2 PHE 13 -7.498 3.618 3.045 78 HB3 PHE 13 HB1 PHE 13 -8.937 3.431 2.057 79 HD1 PHE 13 HD1 PHE 13 -11.195 3.498 3.252 80 HD2 PHE 13 HD2 PHE 13 -7.551 4.796 5.014 81 HE1 PHE 13 HE1 PHE 13 -12.461 4.847 4.867 82 HE2 PHE 13 HE2 PHE 13 -8.805 6.142 6.637 83 HZ PHE 13 HZ PHE 13 -11.270 6.173 6.570 84 H ARG 14 HN ARG 14 -9.955 0.265 4.713 85 HA ARG 14 HA ARG 14 -11.796 -1.028 4.450 86 HB2 ARG 14 HB2 ARG 14 -12.322 1.157 2.517 87 HB3 ARG 14 HB1 ARG 14 -13.271 -0.307 2.341 88 HG2 ARG 14 HG2 ARG 14 -14.411 1.421 3.681 89 HG3 ARG 14 HG1 ARG 14 -14.134 -0.069 4.588 90 HD2 ARG 14 HD2 ARG 14 -12.256 2.277 4.748 91 HD3 ARG 14 HD1 ARG 14 -13.683 2.163 5.773 92 HE ARG 14 HE ARG 14 -12.216 -0.216 6.034 93 HH11 ARG 14 HH11 ARG 14 -11.976 3.181 6.819 94 HH12 ARG 14 HH12 ARG 14 -10.927 2.929 8.176 95 HH21 ARG 14 HH21 ARG 14 -10.831 -0.562 7.825 96 HH22 ARG 14 HH22 ARG 14 -10.280 0.797 8.754 97 H ASN 15 HN ASN 15 -11.253 -0.267 1.049 98 HA ASN 15 HA ASN 15 -9.951 -2.798 0.581 99 HB2 ASN 15 HB2 ASN 15 -12.473 -3.164 0.482 100 HB3 ASN 15 HB1 ASN 15 -12.450 -2.166 -0.961 101 HD21 ASN 15 HD21 ASN 15 -9.944 -4.426 -0.021 102 HD22 ASN 15 HD22 ASN 15 -10.196 -5.528 -1.329 103 H SER 16 HN SER 16 -9.615 0.212 0.319 104 HA SER 16 HA SER 16 -8.959 0.293 -2.559 105 HB2 SER 16 HB2 SER 16 -10.619 1.995 -1.677 106 HB3 SER 16 HB1 SER 16 -9.315 2.659 -0.697 107 HG SER 16 HG SER 16 -9.695 2.739 -3.465 108 H GLN 17 HN GLN 17 -6.834 0.158 -3.009 109 HA GLN 17 HA GLN 17 -4.923 0.108 -0.880 110 HB2 GLN 17 HB2 GLN 17 -4.750 -1.232 -3.022 111 HB3 GLN 17 HB1 GLN 17 -4.288 0.265 -3.825 112 HG2 GLN 17 HG2 GLN 17 -2.374 0.473 -2.324 113 HG3 GLN 17 HG1 GLN 17 -2.844 -1.010 -1.515 114 HE21 GLN 17 HE21 GLN 17 -1.365 0.347 -4.339 115 HE22 GLN 17 HE22 GLN 17 -0.806 -1.145 -4.998 116 H ILE 18 HN ILE 18 -4.074 1.803 0.053 117 HA ILE 18 HA ILE 18 -4.269 4.383 -1.288 118 HB ILE 18 HB ILE 18 -3.641 5.270 1.022 119 HG12 ILE 18 HG12 ILE 18 -4.538 2.507 1.832 120 HG13 ILE 18 HG11 ILE 18 -2.880 3.083 1.928 121 HG21 ILE 18 HG21 ILE 18 -5.968 5.118 1.769 122 HG22 ILE 18 HG22 ILE 18 -6.247 3.828 0.600 123 HG23 ILE 18 HG23 ILE 18 -5.856 5.455 0.042 124 HD11 ILE 18 HD11 ILE 18 -3.976 3.160 4.078 125 HD12 ILE 18 HD12 ILE 18 -5.243 4.187 3.409 126 HD13 ILE 18 HD13 ILE 18 -3.589 4.787 3.521 127 H CYS 19 HN CYS 19 -1.946 2.054 -0.405 128 HA CYS 19 HA CYS 19 0.047 3.403 -1.871 129 HB2 CYS 19 HB2 CYS 19 1.651 3.899 -0.210 130 HB3 CYS 19 HB1 CYS 19 0.153 4.671 0.280 131 H HIS 20 HN HIS 20 2.168 2.219 -1.670 132 HA HIS 20 HA HIS 20 1.791 -0.580 -0.919 133 HB2 HIS 20 HB2 HIS 20 2.941 -1.354 -2.906 134 HB3 HIS 20 HB1 HIS 20 1.519 -0.443 -3.362 135 HD1 HIS 20 HD1 HIS 20 4.960 -0.827 -4.219 136 HD2 HIS 20 HD2 HIS 20 2.309 2.363 -4.066 137 HE1 HIS 20 HE1 HIS 20 5.980 0.969 -5.649 138 HE2 HIS 20 HE2 HIS 20 4.304 2.852 -5.633 139 H CYS 21 HN CYS 21 3.886 -1.693 -0.663 140 HA CYS 21 HA CYS 21 5.806 0.185 0.491 141 HB2 CYS 21 HB2 CYS 21 5.232 -2.714 0.863 142 HB3 CYS 21 HB1 CYS 21 6.835 -2.120 1.253 143 H CYS 22 HN CYS 22 7.646 0.602 -0.384 144 HA CYS 22 HA CYS 22 8.229 0.009 -3.040 145 HB2 CYS 22 HB2 CYS 22 9.337 1.604 -0.912 146 HB3 CYS 22 HB1 CYS 22 10.620 0.815 -1.816 147 HN1 NH2 23 HN1 NH2 23 9.655 -1.212 -0.062 148 HN2 NH2 23 HN2 NH2 23 10.428 -2.574 -0.780 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 2.497 5.397 -4.174 2 H2 MET 1 HT2 MET 1 4.074 5.945 -4.443 3 H3 MET 1 HT3 MET 1 2.802 7.048 -4.369 4 HA MET 1 HA MET 1 4.107 7.074 -2.351 5 HB2 MET 1 HB2 MET 1 1.764 7.667 -2.202 6 HB3 MET 1 HB1 MET 1 1.311 5.972 -2.084 7 HG2 MET 1 HG2 MET 1 1.248 7.158 0.065 8 HG3 MET 1 HG1 MET 1 2.339 5.778 0.058 9 HE1 MET 1 HE1 MET 1 3.536 6.540 2.230 10 HE2 MET 1 HE2 MET 1 2.435 7.912 2.353 11 HE3 MET 1 HE3 MET 1 4.174 8.163 2.499 12 H CYS 2 HN CYS 2 5.688 5.854 -1.655 13 HA CYS 2 HA CYS 2 5.253 3.021 -1.128 14 HB2 CYS 2 HB2 CYS 2 7.721 4.735 -1.136 15 HB3 CYS 2 HB1 CYS 2 7.714 3.082 -0.543 16 H CYS 3 HN CYS 3 4.845 2.238 0.790 17 HA CYS 3 HA CYS 3 5.149 3.989 3.124 18 HB2 CYS 3 HB2 CYS 3 3.281 1.696 2.573 19 HB3 CYS 3 HB1 CYS 3 3.426 2.470 4.144 20 H GLY 4 HN GLY 4 7.288 2.259 1.989 21 HA2 GLY 4 HA2 GLY 4 8.636 1.525 4.153 22 HA3 GLY 4 HA1 GLY 4 7.549 0.164 3.972 23 H GLU 5 HN GLU 5 10.492 1.521 3.064 24 HA GLU 5 HA GLU 5 10.807 0.038 0.625 25 HB2 GLU 5 HB2 GLU 5 13.012 0.933 0.532 26 HB3 GLU 5 HB1 GLU 5 11.952 2.215 1.094 27 HG2 GLU 5 HG2 GLU 5 12.697 1.839 3.383 28 HG3 GLU 5 HG1 GLU 5 13.743 0.533 2.825 29 H GLY 6 HN GLY 6 12.068 -1.782 0.306 30 HA2 GLY 6 HA2 GLY 6 13.074 -3.787 0.872 31 HA3 GLY 6 HA1 GLY 6 13.270 -3.186 2.513 32 H SER 7 HN SER 7 10.144 -2.827 1.370 33 HA SER 7 HA SER 7 9.249 -5.294 2.676 34 HB2 SER 7 HB2 SER 7 8.068 -2.522 2.934 35 HB3 SER 7 HB1 SER 7 7.425 -3.985 3.687 36 HG SER 7 HG SER 7 9.800 -4.032 4.520 37 H SER 8 HN SER 8 6.975 -5.879 2.049 38 HA SER 8 HA SER 8 6.313 -4.933 -0.657 39 HB2 SER 8 HB2 SER 8 7.425 -7.178 -0.683 40 HB3 SER 8 HB1 SER 8 6.090 -7.801 0.284 41 HG SER 8 HG SER 8 4.723 -6.963 -1.495 42 H CYS 9 HN CYS 9 5.283 -4.100 1.861 43 HA CYS 9 HA CYS 9 2.637 -5.254 2.152 44 HB2 CYS 9 HB2 CYS 9 2.771 -3.297 3.988 45 HB3 CYS 9 HB1 CYS 9 3.439 -4.907 4.244 46 HA PRO 10 HA PRO 10 0.981 -1.471 0.298 47 HB2 PRO 10 HB2 PRO 10 -1.077 -2.448 -1.012 48 HB3 PRO 10 HB1 PRO 10 0.557 -2.643 -1.657 49 HG2 PRO 10 HG2 PRO 10 -1.140 -4.612 -0.186 50 HG3 PRO 10 HG1 PRO 10 -0.112 -4.857 -1.607 51 HD2 PRO 10 HD2 PRO 10 0.635 -5.428 1.007 52 HD3 PRO 10 HD1 PRO 10 1.759 -5.169 -0.335 53 H LYS 11 HN LYS 11 -0.731 -0.269 1.011 54 HA LYS 11 HA LYS 11 -2.174 -1.475 3.273 55 HB2 LYS 11 HB2 LYS 11 -1.354 1.405 2.836 56 HB3 LYS 11 HB1 LYS 11 -2.336 0.837 4.176 57 HG2 LYS 11 HG2 LYS 11 -0.488 -0.533 4.976 58 HG3 LYS 11 HG1 LYS 11 0.490 -0.020 3.608 59 HD2 LYS 11 HD2 LYS 11 1.072 1.232 5.618 60 HD3 LYS 11 HD1 LYS 11 0.396 2.291 4.381 61 HE2 LYS 11 HE2 LYS 11 -1.800 2.155 5.539 62 HE3 LYS 11 HE1 LYS 11 -1.033 1.205 6.810 63 HZ1 LYS 11 HZ1 LYS 11 -0.294 3.977 6.052 64 HZ2 LYS 11 HZ2 LYS 11 0.417 3.067 7.286 65 HZ3 LYS 11 HZ3 LYS 11 -1.200 3.538 7.409 66 H TYR 12 HN TYR 12 -4.356 -1.298 3.346 67 HA TYR 12 HA TYR 12 -5.613 0.111 1.093 68 HB2 TYR 12 HB2 TYR 12 -6.375 -2.465 2.427 69 HB3 TYR 12 HB1 TYR 12 -7.543 -1.530 1.513 70 HD1 TYR 12 HD1 TYR 12 -3.945 -2.329 0.822 71 HD2 TYR 12 HD2 TYR 12 -8.004 -2.675 -0.394 72 HE1 TYR 12 HE1 TYR 12 -3.221 -3.461 -1.231 73 HE2 TYR 12 HE2 TYR 12 -7.296 -3.801 -2.458 74 HH TYR 12 HH TYR 12 -4.153 -5.000 -2.918 75 H PHE 13 HN PHE 13 -7.373 1.321 1.449 76 HA PHE 13 HA PHE 13 -8.129 1.805 4.250 77 HB2 PHE 13 HB2 PHE 13 -7.228 3.726 2.833 78 HB3 PHE 13 HB1 PHE 13 -8.698 3.595 1.881 79 HD1 PHE 13 HD1 PHE 13 -7.176 4.868 4.852 80 HD2 PHE 13 HD2 PHE 13 -10.906 3.985 3.013 81 HE1 PHE 13 HE1 PHE 13 -8.302 6.354 6.445 82 HE2 PHE 13 HE2 PHE 13 -12.045 5.471 4.606 83 HZ PHE 13 HZ PHE 13 -10.745 6.661 6.328 84 H ARG 14 HN ARG 14 -9.883 0.698 4.747 85 HA ARG 14 HA ARG 14 -11.870 -0.403 4.618 86 HB2 ARG 14 HB2 ARG 14 -12.196 1.652 2.510 87 HB3 ARG 14 HB1 ARG 14 -13.276 0.274 2.437 88 HG2 ARG 14 HG2 ARG 14 -14.318 2.125 3.622 89 HG3 ARG 14 HG1 ARG 14 -14.050 0.761 4.716 90 HD2 ARG 14 HD2 ARG 14 -12.073 3.012 4.511 91 HD3 ARG 14 HD1 ARG 14 -13.498 3.150 5.535 92 HE ARG 14 HE ARG 14 -11.703 0.863 5.925 93 HH11 ARG 14 HH11 ARG 14 -13.024 3.896 7.065 94 HH12 ARG 14 HH12 ARG 14 -12.381 3.723 8.664 95 HH21 ARG 14 HH21 ARG 14 -10.865 0.625 8.034 96 HH22 ARG 14 HH22 ARG 14 -11.154 1.859 9.217 97 H ASN 15 HN ASN 15 -11.231 0.027 1.177 98 HA ASN 15 HA ASN 15 -10.331 -2.695 0.874 99 HB2 ASN 15 HB2 ASN 15 -12.858 -2.737 0.858 100 HB3 ASN 15 HB1 ASN 15 -12.784 -1.779 -0.610 101 HD21 ASN 15 HD21 ASN 15 -10.534 -4.321 0.231 102 HD22 ASN 15 HD22 ASN 15 -11.006 -5.404 -1.030 103 H SER 16 HN SER 16 -9.666 0.279 0.343 104 HA SER 16 HA SER 16 -9.033 -0.001 -2.528 105 HB2 SER 16 HB2 SER 16 -10.611 1.854 -1.971 106 HB3 SER 16 HB1 SER 16 -9.367 2.561 -0.940 107 HG SER 16 HG SER 16 -8.601 3.456 -2.664 108 H GLN 17 HN GLN 17 -6.935 -0.134 -3.019 109 HA GLN 17 HA GLN 17 -4.940 -0.081 -0.995 110 HB2 GLN 17 HB2 GLN 17 -4.729 -1.476 -3.007 111 HB3 GLN 17 HB1 GLN 17 -4.611 -0.027 -3.998 112 HG2 GLN 17 HG2 GLN 17 -2.566 0.587 -2.843 113 HG3 GLN 17 HG1 GLN 17 -2.681 -0.863 -1.856 114 HE21 GLN 17 HE21 GLN 17 -0.622 0.007 -3.764 115 HE22 GLN 17 HE22 GLN 17 -0.452 -1.302 -4.877 116 H ILE 18 HN ILE 18 -4.011 1.627 -0.124 117 HA ILE 18 HA ILE 18 -4.265 4.188 -1.495 118 HB ILE 18 HB ILE 18 -3.513 5.115 0.771 119 HG12 ILE 18 HG12 ILE 18 -4.495 2.416 1.688 120 HG13 ILE 18 HG11 ILE 18 -2.809 2.909 1.700 121 HG21 ILE 18 HG21 ILE 18 -5.813 5.073 1.596 122 HG22 ILE 18 HG22 ILE 18 -6.183 3.765 0.470 123 HG23 ILE 18 HG23 ILE 18 -5.749 5.362 -0.143 124 HD11 ILE 18 HD11 ILE 18 -3.328 4.658 3.291 125 HD12 ILE 18 HD12 ILE 18 -3.852 3.085 3.889 126 HD13 ILE 18 HD13 ILE 18 -5.033 4.214 3.231 127 H CYS 19 HN CYS 19 -1.891 1.911 -0.463 128 HA CYS 19 HA CYS 19 0.101 3.256 -1.979 129 HB2 CYS 19 HB2 CYS 19 1.641 3.837 -0.289 130 HB3 CYS 19 HB1 CYS 19 0.102 4.529 0.192 131 H HIS 20 HN HIS 20 2.261 2.126 -1.627 132 HA HIS 20 HA HIS 20 1.901 -0.700 -0.954 133 HB2 HIS 20 HB2 HIS 20 3.313 -1.331 -2.877 134 HB3 HIS 20 HB1 HIS 20 1.798 -0.613 -3.375 135 HD1 HIS 20 HD1 HIS 20 5.386 -0.368 -3.864 136 HD2 HIS 20 HD2 HIS 20 2.115 2.164 -4.226 137 HE1 HIS 20 HE1 HIS 20 6.180 1.569 -5.251 138 HE2 HIS 20 HE2 HIS 20 4.196 3.108 -5.434 139 H CYS 21 HN CYS 21 4.003 -1.765 -0.611 140 HA CYS 21 HA CYS 21 5.848 0.112 0.659 141 HB2 CYS 21 HB2 CYS 21 5.336 -2.817 0.889 142 HB3 CYS 21 HB1 CYS 21 6.908 -2.199 1.352 143 H CYS 22 HN CYS 22 7.661 0.645 -0.223 144 HA CYS 22 HA CYS 22 8.269 0.146 -2.887 145 HB2 CYS 22 HB2 CYS 22 9.288 1.732 -0.727 146 HB3 CYS 22 HB1 CYS 22 10.622 1.001 -1.606 147 HN1 NH2 23 HN1 NH2 23 9.596 -1.234 0.050 148 HN2 NH2 23 HN2 NH2 23 10.484 -2.493 -0.724 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 1.937 6.430 -4.493 2 H2 MET 1 HT2 MET 1 1.602 4.854 -3.982 3 H3 MET 1 HT3 MET 1 3.115 5.225 -4.641 4 HA MET 1 HA MET 1 3.633 6.652 -2.797 5 HB2 MET 1 HB2 MET 1 1.409 7.425 -2.242 6 HB3 MET 1 HB1 MET 1 0.897 5.791 -1.842 7 HG2 MET 1 HG2 MET 1 2.414 5.760 0.050 8 HG3 MET 1 HG1 MET 1 2.967 7.378 -0.352 9 HE1 MET 1 HE1 MET 1 -0.219 9.536 0.314 10 HE2 MET 1 HE2 MET 1 0.246 8.809 -1.223 11 HE3 MET 1 HE3 MET 1 1.472 9.540 -0.189 12 H CYS 2 HN CYS 2 5.230 5.544 -1.912 13 HA CYS 2 HA CYS 2 4.823 2.748 -1.225 14 HB2 CYS 2 HB2 CYS 2 7.261 4.453 -1.539 15 HB3 CYS 2 HB1 CYS 2 7.338 2.893 -0.732 16 H CYS 3 HN CYS 3 4.613 1.980 0.737 17 HA CYS 3 HA CYS 3 4.543 3.784 2.987 18 HB2 CYS 3 HB2 CYS 3 4.300 0.866 3.416 19 HB3 CYS 3 HB1 CYS 3 3.310 2.178 4.041 20 H GLY 4 HN GLY 4 6.798 1.582 1.582 21 HA2 GLY 4 HA2 GLY 4 8.911 2.309 3.196 22 HA3 GLY 4 HA1 GLY 4 8.221 0.864 3.905 23 H GLU 5 HN GLU 5 10.725 1.730 2.210 24 HA GLU 5 HA GLU 5 10.601 -0.126 0.021 25 HB2 GLU 5 HB2 GLU 5 12.753 0.630 -0.574 26 HB3 GLU 5 HB1 GLU 5 11.902 2.043 0.032 27 HG2 GLU 5 HG2 GLU 5 13.056 1.849 2.159 28 HG3 GLU 5 HG1 GLU 5 13.876 0.396 1.587 29 H GLY 6 HN GLY 6 11.891 -1.974 -0.233 30 HA2 GLY 6 HA2 GLY 6 12.955 -3.903 0.450 31 HA3 GLY 6 HA1 GLY 6 13.346 -3.101 1.966 32 H SER 7 HN SER 7 10.096 -2.918 1.140 33 HA SER 7 HA SER 7 9.421 -5.183 2.869 34 HB2 SER 7 HB2 SER 7 8.282 -2.388 2.920 35 HB3 SER 7 HB1 SER 7 7.648 -3.747 3.854 36 HG SER 7 HG SER 7 9.631 -3.864 4.937 37 H SER 8 HN SER 8 7.212 -5.965 2.600 38 HA SER 8 HA SER 8 6.165 -5.474 -0.109 39 HB2 SER 8 HB2 SER 8 7.197 -7.697 0.117 40 HB3 SER 8 HB1 SER 8 6.141 -8.051 1.482 41 HG SER 8 HG SER 8 4.358 -7.786 0.015 42 H CYS 9 HN CYS 9 5.376 -3.980 2.125 43 HA CYS 9 HA CYS 9 2.777 -5.031 2.954 44 HB2 CYS 9 HB2 CYS 9 3.143 -2.820 4.435 45 HB3 CYS 9 HB1 CYS 9 3.790 -4.396 4.883 46 HA PRO 10 HA PRO 10 1.053 -1.484 0.766 47 HB2 PRO 10 HB2 PRO 10 -0.997 -2.591 -0.433 48 HB3 PRO 10 HB1 PRO 10 0.628 -2.803 -1.085 49 HG2 PRO 10 HG2 PRO 10 -1.034 -4.704 0.499 50 HG3 PRO 10 HG1 PRO 10 0.049 -5.022 -0.865 51 HD2 PRO 10 HD2 PRO 10 0.692 -5.329 1.851 52 HD3 PRO 10 HD1 PRO 10 1.848 -5.271 0.510 53 H LYS 11 HN LYS 11 -0.659 -0.250 1.411 54 HA LYS 11 HA LYS 11 -2.244 -1.375 3.614 55 HB2 LYS 11 HB2 LYS 11 -1.366 1.487 3.198 56 HB3 LYS 11 HB1 LYS 11 -2.433 0.941 4.480 57 HG2 LYS 11 HG2 LYS 11 0.443 0.158 4.095 58 HG3 LYS 11 HG1 LYS 11 -0.191 1.242 5.325 59 HD2 LYS 11 HD2 LYS 11 -0.793 -1.703 5.050 60 HD3 LYS 11 HD1 LYS 11 0.257 -0.963 6.255 61 HE2 LYS 11 HE2 LYS 11 -1.675 0.259 7.170 62 HE3 LYS 11 HE1 LYS 11 -2.713 -0.503 5.966 63 HZ1 LYS 11 HZ1 LYS 11 -2.187 -2.657 6.925 64 HZ2 LYS 11 HZ2 LYS 11 -2.849 -1.634 8.095 65 HZ3 LYS 11 HZ3 LYS 11 -1.185 -1.930 8.077 66 H TYR 12 HN TYR 12 -4.402 -1.312 3.410 67 HA TYR 12 HA TYR 12 -5.486 0.251 1.169 68 HB2 TYR 12 HB2 TYR 12 -6.212 -2.503 2.094 69 HB3 TYR 12 HB1 TYR 12 -7.325 -1.527 1.150 70 HD1 TYR 12 HD1 TYR 12 -3.796 -2.750 1.057 71 HD2 TYR 12 HD2 TYR 12 -7.288 -1.710 -1.123 72 HE1 TYR 12 HE1 TYR 12 -2.734 -3.547 -1.007 73 HE2 TYR 12 HE2 TYR 12 -6.237 -2.496 -3.199 74 HH TYR 12 HH TYR 12 -3.374 -4.354 -3.220 75 H PHE 13 HN PHE 13 -7.401 1.270 1.448 76 HA PHE 13 HA PHE 13 -8.475 1.325 4.190 77 HB2 PHE 13 HB2 PHE 13 -7.596 3.475 3.157 78 HB3 PHE 13 HB1 PHE 13 -8.903 3.365 1.994 79 HD1 PHE 13 HD1 PHE 13 -7.892 4.546 5.156 80 HD2 PHE 13 HD2 PHE 13 -11.296 3.272 2.953 81 HE1 PHE 13 HE1 PHE 13 -9.349 5.749 6.720 82 HE2 PHE 13 HE2 PHE 13 -12.762 4.476 4.510 83 HZ PHE 13 HZ PHE 13 -11.793 5.722 6.402 84 H ARG 14 HN ARG 14 -10.095 -0.071 4.281 85 HA ARG 14 HA ARG 14 -11.893 -1.346 3.765 86 HB2 ARG 14 HB2 ARG 14 -12.366 1.060 2.110 87 HB3 ARG 14 HB1 ARG 14 -13.246 -0.384 1.658 88 HG2 ARG 14 HG2 ARG 14 -14.609 0.991 3.107 89 HG3 ARG 14 HG1 ARG 14 -14.184 -0.511 3.936 90 HD2 ARG 14 HD2 ARG 14 -12.690 2.083 4.317 91 HD3 ARG 14 HD1 ARG 14 -14.058 1.609 5.320 92 HE ARG 14 HE ARG 14 -12.139 -0.457 5.334 93 HH11 ARG 14 HH11 ARG 14 -12.653 2.785 6.554 94 HH12 ARG 14 HH12 ARG 14 -11.552 2.593 7.885 95 HH21 ARG 14 HH21 ARG 14 -10.687 -0.710 7.075 96 HH22 ARG 14 HH22 ARG 14 -10.430 0.609 8.176 97 H ASN 15 HN ASN 15 -11.185 -0.176 0.516 98 HA ASN 15 HA ASN 15 -9.823 -2.625 -0.174 99 HB2 ASN 15 HB2 ASN 15 -12.320 -3.003 -0.482 100 HB3 ASN 15 HB1 ASN 15 -12.236 -1.815 -1.772 101 HD21 ASN 15 HD21 ASN 15 -9.757 -4.156 -0.986 102 HD22 ASN 15 HD22 ASN 15 -9.891 -5.068 -2.449 103 H SER 16 HN SER 16 -9.549 0.410 -0.049 104 HA SER 16 HA SER 16 -8.688 0.843 -2.833 105 HB2 SER 16 HB2 SER 16 -10.374 2.461 -1.929 106 HB3 SER 16 HB1 SER 16 -9.209 2.923 -0.690 107 HG SER 16 HG SER 16 -9.083 4.362 -2.412 108 H GLN 17 HN GLN 17 -6.554 0.721 -3.155 109 HA GLN 17 HA GLN 17 -4.766 0.362 -0.975 110 HB2 GLN 17 HB2 GLN 17 -4.424 -0.584 -3.281 111 HB3 GLN 17 HB1 GLN 17 -3.994 1.038 -3.814 112 HG2 GLN 17 HG2 GLN 17 -2.213 1.042 -2.069 113 HG3 GLN 17 HG1 GLN 17 -2.565 -0.654 -1.782 114 HE21 GLN 17 HE21 GLN 17 -2.052 -2.179 -3.432 115 HE22 GLN 17 HE22 GLN 17 -0.915 -1.791 -4.670 116 H ILE 18 HN ILE 18 -3.991 1.880 0.298 117 HA ILE 18 HA ILE 18 -4.009 4.634 -0.648 118 HB ILE 18 HB ILE 18 -3.487 5.146 1.810 119 HG12 ILE 18 HG12 ILE 18 -4.654 2.387 2.143 120 HG13 ILE 18 HG11 ILE 18 -2.972 2.792 2.439 121 HG21 ILE 18 HG21 ILE 18 -6.145 3.995 1.002 122 HG22 ILE 18 HG22 ILE 18 -5.592 5.644 0.705 123 HG23 ILE 18 HG23 ILE 18 -5.868 5.091 2.357 124 HD11 ILE 18 HD11 ILE 18 -5.351 3.895 3.897 125 HD12 ILE 18 HD12 ILE 18 -3.666 4.312 4.211 126 HD13 ILE 18 HD13 ILE 18 -4.235 2.668 4.495 127 H CYS 19 HN CYS 19 -1.873 2.078 0.067 128 HA CYS 19 HA CYS 19 0.173 3.381 -1.336 129 HB2 CYS 19 HB2 CYS 19 1.856 3.701 0.303 130 HB3 CYS 19 HB1 CYS 19 0.425 4.542 0.872 131 H HIS 20 HN HIS 20 2.118 2.035 -1.471 132 HA HIS 20 HA HIS 20 1.718 -0.757 -0.667 133 HB2 HIS 20 HB2 HIS 20 2.623 -1.562 -2.765 134 HB3 HIS 20 HB1 HIS 20 1.206 -0.579 -3.079 135 HD1 HIS 20 HD1 HIS 20 4.575 -1.087 -4.189 136 HD2 HIS 20 HD2 HIS 20 2.010 2.165 -3.909 137 HE1 HIS 20 HE1 HIS 20 5.535 0.662 -5.716 138 HE2 HIS 20 HE2 HIS 20 3.849 2.533 -5.690 139 H CYS 21 HN CYS 21 3.822 -1.920 -0.514 140 HA CYS 21 HA CYS 21 5.800 0.010 0.439 141 HB2 CYS 21 HB2 CYS 21 5.175 -2.816 1.057 142 HB3 CYS 21 HB1 CYS 21 6.856 -2.336 1.201 143 H CYS 22 HN CYS 22 7.473 0.492 -0.650 144 HA CYS 22 HA CYS 22 7.930 -0.187 -3.272 145 HB2 CYS 22 HB2 CYS 22 9.286 1.346 -1.190 146 HB3 CYS 22 HB1 CYS 22 10.376 0.693 -2.403 147 HN1 NH2 23 HN1 NH2 23 9.402 -1.490 -0.377 148 HN2 NH2 23 HN2 NH2 23 10.233 -2.784 -1.155
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