NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582065 | 2rtz | 11536 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.967 -0.619 -1.095 3 HB1 ALA 1 1HB ALA 1 0.317 -0.939 -1.978 4 HB2 ALA 1 2HB ALA 1 1.105 0.136 -3.134 5 HB3 ALA 1 3HB ALA 1 1.799 -1.448 -2.789 6 H CYS 2 H CYS 2 3.758 0.684 -3.024 7 HA CYS 2 HA CYS 2 3.574 3.549 -2.365 8 HB2 CYS 2 2HB CYS 2 5.850 2.156 -3.785 9 HB3 CYS 2 3HB CYS 2 5.828 3.806 -3.169 10 H VAL 3 H VAL 3 3.592 5.071 -4.087 11 HA VAL 3 HA VAL 3 2.677 3.956 -6.659 12 HB VAL 3 HB VAL 3 1.433 6.122 -6.946 13 HG11 VAL 3 1HG1 VAL 3 -0.314 4.891 -6.350 14 HG12 VAL 3 2HG1 VAL 3 0.758 3.813 -5.455 15 HG13 VAL 3 3HG1 VAL 3 0.028 5.202 -4.649 16 HG21 VAL 3 3HG2 VAL 3 2.554 7.532 -5.382 17 HG22 VAL 3 1HG2 VAL 3 0.893 7.336 -4.820 18 HG23 VAL 3 2HG2 VAL 3 2.198 6.435 -4.048 19 H GLU 4 H GLU 4 4.459 6.578 -5.090 20 HA GLU 4 HA GLU 4 6.101 6.828 -7.495 21 HB2 GLU 4 2HB GLU 4 5.975 9.255 -7.484 22 HB3 GLU 4 3HB GLU 4 4.367 8.570 -7.669 23 HG2 GLU 4 2HG GLU 4 4.003 8.920 -5.237 24 HG3 GLU 4 3HG GLU 4 5.557 9.750 -5.172 25 H ASN 5 H ASN 5 6.692 5.563 -5.052 26 HA ASN 5 HA ASN 5 8.399 5.395 -3.557 27 HB2 ASN 5 2HB ASN 5 9.638 7.917 -4.607 28 HB3 ASN 5 3HB ASN 5 10.423 6.452 -4.024 29 HD21 ASN 5 1HD2 ASN 5 10.503 8.073 -6.588 30 HD22 ASN 5 2HD2 ASN 5 10.324 6.887 -7.832 31 H CYS 6 H CYS 6 7.962 5.783 -1.498 32 HA CYS 6 HA CYS 6 6.517 7.902 -0.483 33 HB2 CYS 6 2HB CYS 6 8.115 5.722 0.609 34 HB3 CYS 6 3HB CYS 6 8.155 7.155 1.631 35 H ARG 7 H ARG 7 9.921 7.701 -1.181 36 HA ARG 7 HA ARG 7 10.912 9.784 0.373 37 HB2 ARG 7 2HB ARG 7 11.819 8.194 -1.825 38 HB3 ARG 7 3HB ARG 7 12.223 9.876 -2.143 39 HG2 ARG 7 2HG ARG 7 13.107 9.817 0.318 40 HG3 ARG 7 3HG ARG 7 13.168 8.076 0.030 41 HD2 ARG 7 2HD ARG 7 14.270 9.448 -2.223 42 HD3 ARG 7 3HD ARG 7 15.035 10.044 -0.750 43 HE ARG 7 HE ARG 7 15.017 7.290 -0.551 44 HH11 ARG 7 1HH1 ARG 7 16.347 9.685 -2.700 45 HH12 ARG 7 2HH1 ARG 7 17.717 8.719 -3.139 46 HH21 ARG 7 1HH2 ARG 7 16.817 6.010 -1.120 47 HH22 ARG 7 2HH2 ARG 7 17.983 6.629 -2.240 48 H LYS 8 H LYS 8 10.312 10.090 -3.125 49 HA LYS 8 HA LYS 8 10.174 12.914 -3.037 50 HB2 LYS 8 2HB LYS 8 10.514 11.115 -5.021 51 HB3 LYS 8 3HB LYS 8 8.818 11.512 -5.265 52 HG2 LYS 8 2HG LYS 8 9.738 13.097 -6.591 53 HG3 LYS 8 3HG LYS 8 9.766 13.984 -5.065 54 HD2 LYS 8 2HD LYS 8 11.978 14.154 -5.188 55 HD3 LYS 8 3HD LYS 8 12.125 12.396 -5.232 56 HE2 LYS 8 2HE LYS 8 11.931 12.381 -7.622 57 HE3 LYS 8 3HE LYS 8 11.554 14.103 -7.649 58 HZ1 LYS 8 3HZ LYS 8 13.822 13.837 -8.250 59 HZ2 LYS 8 1HZ LYS 8 14.139 12.846 -6.916 60 HZ3 LYS 8 2HZ LYS 8 13.799 14.487 -6.688 61 H TYR 9 H TYR 9 7.765 10.383 -2.817 62 HA TYR 9 HA TYR 9 5.459 11.889 -3.289 63 HB2 TYR 9 2HB TYR 9 5.197 9.546 -3.216 64 HB3 TYR 9 3HB TYR 9 5.981 9.421 -1.645 65 HD1 TYR 9 HD2 TYR 9 2.932 10.768 -3.304 66 HD2 TYR 9 HD1 TYR 9 4.696 9.359 0.302 67 HE1 TYR 9 HE2 TYR 9 0.731 10.834 -2.209 68 HE2 TYR 9 HE1 TYR 9 2.499 9.420 1.408 69 HH TYR 9 HH TYR 9 -0.425 10.367 -0.369 70 H CYS 10 H CYS 10 7.395 11.475 -0.382 71 HA CYS 10 HA CYS 10 5.544 13.097 1.182 72 HB2 CYS 10 2HB CYS 10 6.998 10.964 1.913 73 HB3 CYS 10 3HB CYS 10 8.150 12.232 2.317 74 H GLN 11 H GLN 11 8.796 13.236 -0.166 75 HA GLN 11 HA GLN 11 9.697 15.576 1.041 76 HB2 GLN 11 2HB GLN 11 10.289 14.331 -1.635 77 HB3 GLN 11 3HB GLN 11 11.073 15.816 -1.114 78 HG2 GLN 11 2HG GLN 11 12.257 14.765 0.561 79 HG3 GLN 11 3HG GLN 11 11.132 13.411 0.649 80 HE21 GLN 11 1HE2 GLN 11 12.730 11.871 0.447 81 HE22 GLN 11 2HE2 GLN 11 13.579 11.594 -1.032 82 H ASP 12 H ASP 12 7.314 15.111 -1.402 83 HA ASP 12 HA ASP 12 7.399 17.800 -2.421 84 HB2 ASP 12 2HB ASP 12 6.586 15.720 -3.674 85 HB3 ASP 12 3HB ASP 12 5.109 15.864 -2.726 86 H LYS 13 H LYS 13 5.852 16.154 0.189 87 HA LYS 13 HA LYS 13 4.074 18.449 0.655 88 HB2 LYS 13 2HB LYS 13 2.995 16.876 2.340 89 HB3 LYS 13 3HB LYS 13 2.799 16.460 0.642 90 HG2 LYS 13 2HG LYS 13 4.601 14.818 0.838 91 HG3 LYS 13 3HG LYS 13 4.785 15.231 2.545 92 HD2 LYS 13 2HD LYS 13 2.053 14.526 1.701 93 HD3 LYS 13 3HD LYS 13 3.231 13.214 1.624 94 HE2 LYS 13 2HE LYS 13 3.059 12.940 3.819 95 HE3 LYS 13 3HE LYS 13 3.636 14.587 4.067 96 HZ1 LYS 13 3HZ LYS 13 1.099 15.054 3.444 97 HZ2 LYS 13 1HZ LYS 13 1.631 14.812 5.032 98 HZ3 LYS 13 2HZ LYS 13 0.930 13.536 4.172 99 H GLY 14 H GLY 14 7.079 17.561 1.434 100 HA2 GLY 14 2HA GLY 14 8.296 18.917 3.024 101 HA3 GLY 14 3HA GLY 14 6.895 18.846 4.081 102 H ALA 15 H ALA 15 9.777 17.251 3.030 103 HA ALA 15 HA ALA 15 10.058 15.780 5.401 104 HB1 ALA 15 1HB ALA 15 9.272 13.701 4.993 105 HB2 ALA 15 2HB ALA 15 8.174 14.572 3.921 106 HB3 ALA 15 3HB ALA 15 9.614 13.793 3.265 107 H ARG 16 H ARG 16 12.112 15.014 5.610 108 HA ARG 16 HA ARG 16 14.011 15.781 3.615 109 HB2 ARG 16 2HB ARG 16 14.050 14.992 6.389 110 HB3 ARG 16 3HB ARG 16 15.291 14.126 5.494 111 HG2 ARG 16 2HG ARG 16 16.590 15.911 5.568 112 HG3 ARG 16 3HG ARG 16 15.378 16.835 4.679 113 HD2 ARG 16 2HD ARG 16 15.107 16.398 7.628 114 HD3 ARG 16 3HD ARG 16 16.154 17.671 7.003 115 HE ARG 16 HE ARG 16 13.510 17.733 5.893 116 HH11 ARG 16 1HH1 ARG 16 15.494 18.711 8.582 117 HH12 ARG 16 2HH1 ARG 16 14.485 20.054 9.006 118 HH21 ARG 16 1HH2 ARG 16 12.174 19.499 6.442 119 HH22 ARG 16 2HH2 ARG 16 12.596 20.501 7.789 120 H ASN 17 H ASN 17 12.555 12.764 4.654 121 HA ASN 17 HA ASN 17 13.419 11.474 2.226 122 HB2 ASN 17 2HB ASN 17 15.235 11.243 4.153 123 HB3 ASN 17 3HB ASN 17 14.154 9.960 4.689 124 HD21 ASN 17 1HD2 ASN 17 14.344 8.032 3.780 125 HD22 ASN 17 2HD2 ASN 17 15.252 7.680 2.352 126 H GLY 18 H GLY 18 12.745 8.977 2.475 127 HA2 GLY 18 2HA GLY 18 10.633 8.265 4.165 128 HA3 GLY 18 3HA GLY 18 9.936 8.984 2.722 129 H LYS 19 H LYS 19 9.440 6.350 3.450 130 HA LYS 19 HA LYS 19 10.173 4.997 1.052 131 HB2 LYS 19 2HB LYS 19 11.133 3.047 2.678 132 HB3 LYS 19 3HB LYS 19 12.144 4.190 1.804 133 HG2 LYS 19 2HG LYS 19 12.606 5.431 3.687 134 HG3 LYS 19 3HG LYS 19 11.154 4.887 4.530 135 HD2 LYS 19 2HD LYS 19 12.097 2.796 5.032 136 HD3 LYS 19 3HD LYS 19 13.385 2.996 3.842 137 HE2 LYS 19 2HE LYS 19 13.615 5.162 5.611 138 HE3 LYS 19 3HE LYS 19 13.331 3.743 6.617 139 HZ1 LYS 19 3HZ LYS 19 15.451 4.013 4.554 140 HZ2 LYS 19 1HZ LYS 19 15.172 2.636 5.497 141 HZ3 LYS 19 2HZ LYS 19 15.684 4.073 6.229 142 H CYS 20 H CYS 20 9.537 2.509 1.377 143 HA CYS 20 HA CYS 20 6.801 2.591 2.364 144 HB2 CYS 20 2HB CYS 20 8.333 0.914 0.461 145 HB3 CYS 20 3HB CYS 20 7.045 0.104 1.346 146 H ILE 21 H ILE 21 5.940 1.141 3.864 147 HA ILE 21 HA ILE 21 7.865 -0.474 5.387 148 HB ILE 21 HB ILE 21 7.425 1.733 6.526 149 HG12 ILE 21 2HG1 ILE 21 6.324 -0.336 8.343 150 HG13 ILE 21 3HG1 ILE 21 7.859 -0.715 7.570 151 HG21 ILE 21 1HG2 ILE 21 5.366 2.392 7.190 152 HG22 ILE 21 2HG2 ILE 21 4.861 1.391 5.829 153 HG23 ILE 21 3HG2 ILE 21 4.807 0.742 7.468 154 HD11 ILE 21 3HD1 ILE 21 7.257 1.680 9.288 155 HD12 ILE 21 1HD1 ILE 21 8.244 0.284 9.722 156 HD13 ILE 21 2HD1 ILE 21 8.784 1.387 8.456 157 H ASN 22 H ASN 22 6.866 -2.142 6.711 158 HA ASN 22 HA ASN 22 5.192 -3.832 5.441 159 HB2 ASN 22 2HB ASN 22 6.318 -4.497 7.472 160 HB3 ASN 22 3HB ASN 22 5.367 -3.360 8.423 161 HD21 ASN 22 1HD2 ASN 22 3.538 -4.044 9.307 162 HD22 ASN 22 2HD2 ASN 22 2.763 -5.550 8.965 163 H SER 23 H SER 23 4.031 -1.652 8.019 164 HA SER 23 HA SER 23 1.331 -2.087 7.749 165 HB2 SER 23 2HB SER 23 2.964 0.227 8.685 166 HB3 SER 23 3HB SER 23 1.238 0.484 8.433 167 HG SER 23 HG SER 23 2.502 -1.353 10.175 168 H ASN 24 H ASN 24 3.365 0.162 5.926 169 HA ASN 24 HA ASN 24 1.989 0.000 3.545 170 HB2 ASN 24 2HB ASN 24 0.640 1.691 5.493 171 HB3 ASN 24 3HB ASN 24 1.051 2.575 4.025 172 HD21 ASN 24 1HD2 ASN 24 0.663 1.026 2.003 173 HD22 ASN 24 2HD2 ASN 24 -0.932 0.364 1.950 174 H CYS 25 H CYS 25 2.780 3.046 5.181 175 HA CYS 25 HA CYS 25 5.343 3.188 3.815 176 HB2 CYS 25 2HB CYS 25 3.129 4.315 2.600 177 HB3 CYS 25 3HB CYS 25 3.851 5.675 3.455 178 H HIS 26 H HIS 26 6.568 5.168 4.470 179 HA HIS 26 HA HIS 26 5.722 6.617 6.787 180 HB2 HIS 26 2HB HIS 26 7.348 5.753 8.366 181 HB3 HIS 26 3HB HIS 26 6.325 4.434 7.804 182 HD1 HIS 26 HD1 HIS 26 7.874 3.941 5.102 183 HD2 HIS 26 HD2 HIS 26 9.598 4.251 8.869 184 HE1 HIS 26 HE1 HIS 26 10.068 2.724 4.939 185 H CYS 27 H CYS 27 6.724 8.530 6.816 186 HA CYS 27 HA CYS 27 8.961 8.936 4.984 187 HB2 CYS 27 2HB CYS 27 7.471 11.058 6.527 188 HB3 CYS 27 3HB CYS 27 8.452 11.262 5.079 189 H TYR 28 H TYR 28 10.430 10.883 5.881 190 HA TYR 28 HA TYR 28 11.165 10.386 8.665 191 HB2 TYR 28 2HB TYR 28 12.973 9.944 6.294 192 HB3 TYR 28 3HB TYR 28 13.603 10.245 7.909 193 HD1 TYR 28 HD2 TYR 28 11.434 7.937 5.966 194 HD2 TYR 28 HD1 TYR 28 13.804 8.494 9.456 195 HE1 TYR 28 HE2 TYR 28 11.214 5.544 6.489 196 HE2 TYR 28 HE1 TYR 28 13.591 6.102 9.988 197 HH TYR 28 HH TYR 28 12.085 4.234 9.502 198 H TYR 29 H TYR 29 11.460 12.261 9.654 199 HA TYR 29 HA TYR 29 12.034 14.639 8.034 200 HB2 TYR 29 2HB TYR 29 11.121 14.608 10.908 201 HB3 TYR 29 3HB TYR 29 11.051 15.942 9.763 202 HD1 TYR 29 HD1 TYR 29 9.898 14.578 7.395 203 HD2 TYR 29 HD2 TYR 29 8.889 14.283 11.518 204 HE1 TYR 29 HE1 TYR 29 7.605 13.935 6.782 205 HE2 TYR 29 HE2 TYR 29 6.593 13.638 10.916 206 HH TYR 29 HH TYR 29 5.574 12.438 8.570 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.424 1.189 0.011 2 HA ALA 1 HA ALA 1 2.653 -0.429 -0.893 3 HB1 ALA 1 1HB ALA 1 0.566 0.251 -2.934 4 HB2 ALA 1 2HB ALA 1 1.896 -0.903 -3.046 5 HB3 ALA 1 3HB ALA 1 0.503 -1.259 -2.024 6 H CYS 2 H CYS 2 3.657 0.667 -2.917 7 HA CYS 2 HA CYS 2 3.707 3.557 -2.381 8 HB2 CYS 2 2HB CYS 2 5.777 1.792 -3.708 9 HB3 CYS 2 3HB CYS 2 5.942 3.523 -3.433 10 H VAL 3 H VAL 3 3.601 5.049 -4.054 11 HA VAL 3 HA VAL 3 2.682 3.972 -6.641 12 HB VAL 3 HB VAL 3 1.380 6.080 -6.896 13 HG11 VAL 3 1HG1 VAL 3 0.175 5.123 -4.451 14 HG12 VAL 3 2HG1 VAL 3 -0.377 4.956 -6.118 15 HG13 VAL 3 3HG1 VAL 3 0.760 3.789 -5.444 16 HG21 VAL 3 3HG2 VAL 3 2.547 7.551 -5.419 17 HG22 VAL 3 1HG2 VAL 3 0.907 7.362 -4.799 18 HG23 VAL 3 2HG2 VAL 3 2.242 6.497 -4.038 19 H GLU 4 H GLU 4 4.519 6.503 -5.014 20 HA GLU 4 HA GLU 4 6.131 6.832 -7.419 21 HB2 GLU 4 2HB GLU 4 5.975 9.254 -7.400 22 HB3 GLU 4 3HB GLU 4 4.372 8.555 -7.584 23 HG2 GLU 4 2HG GLU 4 4.042 8.879 -5.128 24 HG3 GLU 4 3HG GLU 4 5.563 9.768 -5.105 25 H ASN 5 H ASN 5 6.721 5.557 -4.979 26 HA ASN 5 HA ASN 5 8.421 5.398 -3.475 27 HB2 ASN 5 2HB ASN 5 9.637 7.936 -4.516 28 HB3 ASN 5 3HB ASN 5 10.438 6.485 -3.920 29 HD21 ASN 5 1HD2 ASN 5 10.642 8.045 -6.460 30 HD22 ASN 5 2HD2 ASN 5 10.441 6.871 -7.712 31 H CYS 6 H CYS 6 7.963 5.772 -1.418 32 HA CYS 6 HA CYS 6 6.496 7.875 -0.402 33 HB2 CYS 6 2HB CYS 6 8.080 5.690 0.684 34 HB3 CYS 6 3HB CYS 6 8.144 7.118 1.712 35 H ARG 7 H ARG 7 9.908 7.699 -1.072 36 HA ARG 7 HA ARG 7 10.855 9.796 0.500 37 HB2 ARG 7 2HB ARG 7 11.863 8.141 -1.550 38 HB3 ARG 7 3HB ARG 7 12.163 9.796 -2.062 39 HG2 ARG 7 2HG ARG 7 13.095 10.102 0.338 40 HG3 ARG 7 3HG ARG 7 13.198 8.340 0.328 41 HD2 ARG 7 2HD ARG 7 14.304 9.883 -1.973 42 HD3 ARG 7 3HD ARG 7 15.220 9.807 -0.468 43 HE ARG 7 HE ARG 7 14.408 7.216 -1.253 44 HH11 ARG 7 1HH1 ARG 7 16.661 9.741 -2.072 45 HH12 ARG 7 2HH1 ARG 7 17.835 8.656 -2.741 46 HH21 ARG 7 1HH2 ARG 7 15.945 5.778 -2.131 47 HH22 ARG 7 2HH2 ARG 7 17.426 6.402 -2.775 48 H LYS 8 H LYS 8 10.244 10.029 -3.006 49 HA LYS 8 HA LYS 8 10.139 12.861 -2.978 50 HB2 LYS 8 2HB LYS 8 10.483 11.036 -4.926 51 HB3 LYS 8 3HB LYS 8 8.781 11.400 -5.173 52 HG2 LYS 8 2HG LYS 8 9.224 13.385 -6.081 53 HG3 LYS 8 3HG LYS 8 10.421 13.783 -4.846 54 HD2 LYS 8 2HD LYS 8 11.886 12.030 -6.114 55 HD3 LYS 8 3HD LYS 8 10.776 12.355 -7.447 56 HE2 LYS 8 2HE LYS 8 11.287 14.766 -7.229 57 HE3 LYS 8 3HE LYS 8 12.463 14.377 -5.975 58 HZ1 LYS 8 3HZ LYS 8 13.950 13.673 -7.475 59 HZ2 LYS 8 1HZ LYS 8 13.044 14.580 -8.580 60 HZ3 LYS 8 2HZ LYS 8 12.792 12.913 -8.447 61 H TYR 9 H TYR 9 7.720 10.349 -2.691 62 HA TYR 9 HA TYR 9 5.421 11.866 -3.192 63 HB2 TYR 9 2HB TYR 9 5.136 9.528 -3.095 64 HB3 TYR 9 3HB TYR 9 5.929 9.408 -1.529 65 HD1 TYR 9 HD1 TYR 9 2.881 10.771 -3.178 66 HD2 TYR 9 HD2 TYR 9 4.656 9.373 0.427 67 HE1 TYR 9 HE1 TYR 9 0.688 10.863 -2.069 68 HE2 TYR 9 HE2 TYR 9 2.468 9.461 1.546 69 HH TYR 9 HH TYR 9 -0.047 9.332 0.683 70 H CYS 10 H CYS 10 7.345 11.452 -0.273 71 HA CYS 10 HA CYS 10 5.510 13.103 1.275 72 HB2 CYS 10 2HB CYS 10 6.985 10.975 2.012 73 HB3 CYS 10 3HB CYS 10 8.113 12.262 2.424 74 H GLN 11 H GLN 11 8.776 13.215 -0.053 75 HA GLN 11 HA GLN 11 9.639 15.596 1.120 76 HB2 GLN 11 2HB GLN 11 10.328 14.254 -1.484 77 HB3 GLN 11 3HB GLN 11 11.087 15.763 -0.995 78 HG2 GLN 11 2HG GLN 11 12.305 14.784 0.651 79 HG3 GLN 11 3HG GLN 11 11.100 13.533 0.953 80 HE21 GLN 11 1HE2 GLN 11 13.665 12.785 0.879 81 HE22 GLN 11 2HE2 GLN 11 14.016 11.909 -0.568 82 H ASP 12 H ASP 12 7.317 15.039 -1.351 83 HA ASP 12 HA ASP 12 7.438 17.698 -2.461 84 HB2 ASP 12 2HB ASP 12 6.628 15.441 -3.565 85 HB3 ASP 12 3HB ASP 12 5.083 15.898 -2.854 86 H LYS 13 H LYS 13 5.967 16.209 0.227 87 HA LYS 13 HA LYS 13 4.114 18.480 0.533 88 HB2 LYS 13 2HB LYS 13 3.017 16.864 2.249 89 HB3 LYS 13 3HB LYS 13 2.731 16.614 0.531 90 HG2 LYS 13 2HG LYS 13 4.485 14.891 0.511 91 HG3 LYS 13 3HG LYS 13 4.700 15.116 2.248 92 HD2 LYS 13 2HD LYS 13 3.276 13.192 1.802 93 HD3 LYS 13 3HD LYS 13 2.361 14.466 2.612 94 HE2 LYS 13 2HE LYS 13 2.322 14.580 -0.323 95 HE3 LYS 13 3HE LYS 13 1.548 13.159 0.374 96 HZ1 LYS 13 3HZ LYS 13 0.735 15.394 1.840 97 HZ2 LYS 13 1HZ LYS 13 -0.205 14.400 0.844 98 HZ3 LYS 13 2HZ LYS 13 0.549 15.770 0.201 99 H GLY 14 H GLY 14 7.064 17.586 1.446 100 HA2 GLY 14 2HA GLY 14 8.197 18.954 3.097 101 HA3 GLY 14 3HA GLY 14 6.760 18.835 4.102 102 H ALA 15 H ALA 15 9.688 17.280 3.081 103 HA ALA 15 HA ALA 15 9.956 15.798 5.445 104 HB1 ALA 15 1HB ALA 15 8.887 14.252 3.094 105 HB2 ALA 15 2HB ALA 15 9.705 13.496 4.463 106 HB3 ALA 15 3HB ALA 15 8.199 14.380 4.714 107 H ARG 16 H ARG 16 12.016 15.068 5.669 108 HA ARG 16 HA ARG 16 13.920 15.832 3.681 109 HB2 ARG 16 2HB ARG 16 13.963 14.901 6.453 110 HB3 ARG 16 3HB ARG 16 15.299 14.274 5.496 111 HG2 ARG 16 2HG ARG 16 16.131 16.240 6.413 112 HG3 ARG 16 3HG ARG 16 15.672 16.701 4.773 113 HD2 ARG 16 2HD ARG 16 14.684 18.415 5.880 114 HD3 ARG 16 3HD ARG 16 13.373 17.242 6.008 115 HE ARG 16 HE ARG 16 13.703 17.197 8.265 116 HH11 ARG 16 1HH1 ARG 16 16.553 18.496 6.745 117 HH12 ARG 16 2HH1 ARG 16 17.325 18.902 8.242 118 HH21 ARG 16 1HH2 ARG 16 14.709 17.728 10.243 119 HH22 ARG 16 2HH2 ARG 16 16.276 18.464 10.231 120 H ASN 17 H ASN 17 12.509 12.797 4.753 121 HA ASN 17 HA ASN 17 13.382 11.507 2.322 122 HB2 ASN 17 2HB ASN 17 15.195 11.299 4.249 123 HB3 ASN 17 3HB ASN 17 14.119 10.020 4.804 124 HD21 ASN 17 1HD2 ASN 17 14.042 8.119 3.722 125 HD22 ASN 17 2HD2 ASN 17 15.055 7.735 2.376 126 H GLY 18 H GLY 18 12.717 9.016 2.558 127 HA2 GLY 18 2HA GLY 18 10.614 8.278 4.247 128 HA3 GLY 18 3HA GLY 18 9.907 9.007 2.812 129 H LYS 19 H LYS 19 9.467 6.346 3.557 130 HA LYS 19 HA LYS 19 10.196 5.023 1.131 131 HB2 LYS 19 2HB LYS 19 11.151 3.065 2.750 132 HB3 LYS 19 3HB LYS 19 12.164 4.214 1.887 133 HG2 LYS 19 2HG LYS 19 12.616 5.445 3.778 134 HG3 LYS 19 3HG LYS 19 11.160 4.896 4.612 135 HD2 LYS 19 2HD LYS 19 12.103 2.793 5.092 136 HD3 LYS 19 3HD LYS 19 13.411 3.024 3.929 137 HE2 LYS 19 2HE LYS 19 13.604 5.165 5.720 138 HE3 LYS 19 3HE LYS 19 13.282 3.746 6.715 139 HZ1 LYS 19 3HZ LYS 19 15.616 3.931 6.468 140 HZ2 LYS 19 1HZ LYS 19 15.506 4.129 4.791 141 HZ3 LYS 19 2HZ LYS 19 15.133 2.636 5.493 142 H CYS 20 H CYS 20 9.567 2.529 1.439 143 HA CYS 20 HA CYS 20 6.824 2.597 2.404 144 HB2 CYS 20 2HB CYS 20 8.385 0.903 0.529 145 HB3 CYS 20 3HB CYS 20 7.052 0.126 1.376 146 H ILE 21 H ILE 21 5.954 1.125 3.883 147 HA ILE 21 HA ILE 21 7.871 -0.487 5.416 148 HB ILE 21 HB ILE 21 7.429 1.711 6.565 149 HG12 ILE 21 2HG1 ILE 21 6.297 -0.370 8.354 150 HG13 ILE 21 3HG1 ILE 21 7.847 -0.737 7.604 151 HG21 ILE 21 1HG2 ILE 21 4.801 0.741 7.488 152 HG22 ILE 21 2HG2 ILE 21 5.368 2.385 7.197 153 HG23 ILE 21 3HG2 ILE 21 4.865 1.373 5.843 154 HD11 ILE 21 3HD1 ILE 21 7.207 1.642 9.330 155 HD12 ILE 21 1HD1 ILE 21 8.191 0.246 9.771 156 HD13 ILE 21 2HD1 ILE 21 8.749 1.361 8.522 157 H ASN 22 H ASN 22 6.866 -2.163 6.724 158 HA ASN 22 HA ASN 22 5.197 -3.845 5.437 159 HB2 ASN 22 2HB ASN 22 6.030 -3.501 8.204 160 HB3 ASN 22 3HB ASN 22 4.424 -4.213 8.085 161 HD21 ASN 22 1HD2 ASN 22 7.042 -5.324 8.918 162 HD22 ASN 22 2HD2 ASN 22 7.267 -6.730 7.940 163 H SER 23 H SER 23 4.030 -1.678 8.023 164 HA SER 23 HA SER 23 1.330 -2.113 7.744 165 HB2 SER 23 2HB SER 23 2.974 -0.244 9.094 166 HB3 SER 23 3HB SER 23 1.742 0.685 8.240 167 HG SER 23 HG SER 23 1.408 -0.453 10.499 168 H ASN 24 H ASN 24 3.371 0.143 5.937 169 HA ASN 24 HA ASN 24 2.004 -0.005 3.551 170 HB2 ASN 24 2HB ASN 24 0.638 1.666 5.503 171 HB3 ASN 24 3HB ASN 24 1.059 2.567 4.049 172 HD21 ASN 24 1HD2 ASN 24 -1.298 2.675 3.857 173 HD22 ASN 24 2HD2 ASN 24 -2.121 1.378 3.067 174 H CYS 25 H CYS 25 2.779 3.034 5.209 175 HA CYS 25 HA CYS 25 5.348 3.190 3.855 176 HB2 CYS 25 2HB CYS 25 3.140 4.316 2.633 177 HB3 CYS 25 3HB CYS 25 3.843 5.674 3.506 178 H HIS 26 H HIS 26 6.573 5.158 4.533 179 HA HIS 26 HA HIS 26 5.711 6.592 6.856 180 HB2 HIS 26 2HB HIS 26 7.335 5.721 8.432 181 HB3 HIS 26 3HB HIS 26 6.320 4.402 7.856 182 HD1 HIS 26 HD1 HIS 26 7.871 3.922 5.160 183 HD2 HIS 26 HD2 HIS 26 9.599 4.241 8.925 184 HE1 HIS 26 HE1 HIS 26 10.073 2.721 4.993 185 H CYS 27 H CYS 27 6.684 8.516 6.866 186 HA CYS 27 HA CYS 27 8.932 8.940 5.056 187 HB2 CYS 27 2HB CYS 27 7.435 11.050 6.608 188 HB3 CYS 27 3HB CYS 27 8.408 11.261 5.156 189 H TYR 28 H TYR 28 10.372 10.909 5.980 190 HA TYR 28 HA TYR 28 11.105 10.400 8.759 191 HB2 TYR 28 2HB TYR 28 12.924 9.959 6.396 192 HB3 TYR 28 3HB TYR 28 13.548 10.263 8.013 193 HD1 TYR 28 HD2 TYR 28 11.429 7.940 6.041 194 HD2 TYR 28 HD1 TYR 28 13.706 8.524 9.587 195 HE1 TYR 28 HE2 TYR 28 11.211 5.547 6.568 196 HE2 TYR 28 HE1 TYR 28 13.496 6.133 10.124 197 HH TYR 28 HH TYR 28 12.522 4.201 9.573 198 H TYR 29 H TYR 29 11.386 12.277 9.748 199 HA TYR 29 HA TYR 29 11.976 14.654 8.130 200 HB2 TYR 29 2HB TYR 29 11.028 14.628 10.993 201 HB3 TYR 29 3HB TYR 29 10.969 15.960 9.844 202 HD1 TYR 29 HD1 TYR 29 9.847 14.585 7.466 203 HD2 TYR 29 HD2 TYR 29 8.788 14.304 11.577 204 HE1 TYR 29 HE1 TYR 29 7.562 13.937 6.827 205 HE2 TYR 29 HE2 TYR 29 6.501 13.654 10.949 206 HH TYR 29 HH TYR 29 5.464 13.610 7.572 Start of MODEL 3 1 H1 ALA 1 H ALA 1 -0.219 2.499 -0.321 2 HA ALA 1 HA ALA 1 1.640 0.862 -0.477 3 HB1 ALA 1 1HB ALA 1 1.758 -0.010 -2.981 4 HB2 ALA 1 2HB ALA 1 0.877 -0.880 -1.725 5 HB3 ALA 1 3HB ALA 1 0.007 0.161 -2.852 6 H CYS 2 H CYS 2 3.527 1.104 -2.100 7 HA CYS 2 HA CYS 2 4.041 3.877 -2.398 8 HB2 CYS 2 2HB CYS 2 5.582 1.565 -3.592 9 HB3 CYS 2 3HB CYS 2 6.178 3.200 -3.328 10 H VAL 3 H VAL 3 3.733 5.206 -4.070 11 HA VAL 3 HA VAL 3 2.924 4.021 -6.647 12 HB VAL 3 HB VAL 3 1.658 6.162 -7.024 13 HG11 VAL 3 1HG1 VAL 3 -0.088 5.484 -5.129 14 HG12 VAL 3 2HG1 VAL 3 0.185 4.493 -6.564 15 HG13 VAL 3 3HG1 VAL 3 0.967 4.074 -5.039 16 HG21 VAL 3 3HG2 VAL 3 2.702 7.621 -5.451 17 HG22 VAL 3 1HG2 VAL 3 1.025 7.411 -4.946 18 HG23 VAL 3 2HG2 VAL 3 2.313 6.546 -4.108 19 H GLU 4 H GLU 4 4.607 6.707 -5.076 20 HA GLU 4 HA GLU 4 6.307 6.948 -7.448 21 HB2 GLU 4 2HB GLU 4 6.176 9.379 -7.421 22 HB3 GLU 4 3HB GLU 4 4.578 8.685 -7.656 23 HG2 GLU 4 2HG GLU 4 4.131 9.021 -5.243 24 HG3 GLU 4 3HG GLU 4 5.686 9.839 -5.109 25 H ASN 5 H ASN 5 6.888 5.669 -5.025 26 HA ASN 5 HA ASN 5 8.578 5.502 -3.511 27 HB2 ASN 5 2HB ASN 5 9.778 8.064 -4.516 28 HB3 ASN 5 3HB ASN 5 10.589 6.620 -3.918 29 HD21 ASN 5 1HD2 ASN 5 10.584 8.275 -6.501 30 HD22 ASN 5 2HD2 ASN 5 10.497 7.074 -7.740 31 H CYS 6 H CYS 6 8.139 5.850 -1.446 32 HA CYS 6 HA CYS 6 6.627 7.913 -0.407 33 HB2 CYS 6 2HB CYS 6 8.255 5.749 0.653 34 HB3 CYS 6 3HB CYS 6 8.297 7.168 1.695 35 H ARG 7 H ARG 7 10.035 7.821 -1.101 36 HA ARG 7 HA ARG 7 10.948 9.917 0.494 37 HB2 ARG 7 2HB ARG 7 11.941 8.352 -1.680 38 HB3 ARG 7 3HB ARG 7 12.296 10.044 -2.005 39 HG2 ARG 7 2HG ARG 7 13.119 9.999 0.498 40 HG3 ARG 7 3HG ARG 7 13.294 8.275 0.160 41 HD2 ARG 7 2HD ARG 7 14.441 10.419 -1.613 42 HD3 ARG 7 3HD ARG 7 15.332 9.714 -0.265 43 HE ARG 7 HE ARG 7 14.832 8.515 -2.817 44 HH11 ARG 7 1HH1 ARG 7 15.435 7.871 0.550 45 HH12 ARG 7 2HH1 ARG 7 16.093 6.294 0.265 46 HH21 ARG 7 1HH2 ARG 7 15.696 6.440 -3.205 47 HH22 ARG 7 2HH2 ARG 7 16.241 5.481 -1.871 48 H LYS 8 H LYS 8 10.381 10.207 -3.011 49 HA LYS 8 HA LYS 8 10.171 13.031 -2.918 50 HB2 LYS 8 2HB LYS 8 10.602 11.247 -4.901 51 HB3 LYS 8 3HB LYS 8 8.902 11.601 -5.179 52 HG2 LYS 8 2HG LYS 8 9.319 13.681 -5.921 53 HG3 LYS 8 3HG LYS 8 10.625 13.947 -4.764 54 HD2 LYS 8 2HD LYS 8 11.125 11.960 -6.899 55 HD3 LYS 8 3HD LYS 8 11.036 13.651 -7.397 56 HE2 LYS 8 2HE LYS 8 12.678 14.126 -5.512 57 HE3 LYS 8 3HE LYS 8 12.917 12.381 -5.424 58 HZ1 LYS 8 3HZ LYS 8 13.241 13.874 -7.956 59 HZ2 LYS 8 1HZ LYS 8 13.808 12.328 -7.568 60 HZ3 LYS 8 2HZ LYS 8 14.516 13.691 -6.860 61 H TYR 9 H TYR 9 7.845 10.435 -2.698 62 HA TYR 9 HA TYR 9 5.500 11.871 -3.230 63 HB2 TYR 9 2HB TYR 9 5.307 9.521 -3.166 64 HB3 TYR 9 3HB TYR 9 6.064 9.416 -1.581 65 HD1 TYR 9 HD1 TYR 9 3.017 10.730 -3.280 66 HD2 TYR 9 HD2 TYR 9 4.737 9.264 0.325 67 HE1 TYR 9 HE1 TYR 9 0.795 10.729 -2.227 68 HE2 TYR 9 HE2 TYR 9 2.518 9.258 1.387 69 HH TYR 9 HH TYR 9 0.363 10.263 1.153 70 H CYS 10 H CYS 10 7.369 11.471 -0.271 71 HA CYS 10 HA CYS 10 5.455 13.056 1.249 72 HB2 CYS 10 2HB CYS 10 6.951 10.949 1.999 73 HB3 CYS 10 3HB CYS 10 8.044 12.251 2.456 74 H GLN 11 H GLN 11 8.724 13.272 -0.039 75 HA GLN 11 HA GLN 11 9.562 15.617 1.207 76 HB2 GLN 11 2HB GLN 11 10.224 14.370 -1.446 77 HB3 GLN 11 3HB GLN 11 10.938 15.904 -0.964 78 HG2 GLN 11 2HG GLN 11 12.228 14.959 0.656 79 HG3 GLN 11 3HG GLN 11 11.098 13.637 0.941 80 HE21 GLN 11 1HE2 GLN 11 13.421 12.683 0.901 81 HE22 GLN 11 2HE2 GLN 11 13.899 12.003 -0.614 82 H ASP 12 H ASP 12 7.237 15.129 -1.293 83 HA ASP 12 HA ASP 12 7.281 17.831 -2.277 84 HB2 ASP 12 2HB ASP 12 6.470 15.625 -3.455 85 HB3 ASP 12 3HB ASP 12 4.943 16.001 -2.663 86 H LYS 13 H LYS 13 5.753 16.143 0.308 87 HA LYS 13 HA LYS 13 3.924 18.401 0.767 88 HB2 LYS 13 2HB LYS 13 2.827 16.786 2.402 89 HB3 LYS 13 3HB LYS 13 2.666 16.404 0.693 90 HG2 LYS 13 2HG LYS 13 4.497 14.782 0.896 91 HG3 LYS 13 3HG LYS 13 4.611 15.147 2.620 92 HD2 LYS 13 2HD LYS 13 1.921 14.437 1.657 93 HD3 LYS 13 3HD LYS 13 3.116 13.141 1.579 94 HE2 LYS 13 2HE LYS 13 2.400 12.812 3.709 95 HE3 LYS 13 3HE LYS 13 3.641 14.022 4.035 96 HZ1 LYS 13 3HZ LYS 13 0.727 14.286 4.094 97 HZ2 LYS 13 1HZ LYS 13 1.633 15.637 3.627 98 HZ3 LYS 13 2HZ LYS 13 1.890 14.928 5.141 99 H GLY 14 H GLY 14 6.922 17.569 1.575 100 HA2 GLY 14 2HA GLY 14 8.085 18.901 3.221 101 HA3 GLY 14 3HA GLY 14 6.668 18.774 4.253 102 H ALA 15 H ALA 15 9.596 17.260 3.201 103 HA ALA 15 HA ALA 15 9.897 15.751 5.538 104 HB1 ALA 15 1HB ALA 15 9.530 13.730 3.455 105 HB2 ALA 15 2HB ALA 15 9.029 13.724 5.146 106 HB3 ALA 15 3HB ALA 15 8.044 14.548 3.939 107 H ARG 16 H ARG 16 11.960 14.998 5.724 108 HA ARG 16 HA ARG 16 13.841 15.811 3.732 109 HB2 ARG 16 2HB ARG 16 13.903 14.936 6.491 110 HB3 ARG 16 3HB ARG 16 15.168 14.151 5.555 111 HG2 ARG 16 2HG ARG 16 16.341 15.991 6.061 112 HG3 ARG 16 3HG ARG 16 15.447 16.702 4.716 113 HD2 ARG 16 2HD ARG 16 13.686 17.338 6.450 114 HD3 ARG 16 3HD ARG 16 14.904 16.943 7.661 115 HE ARG 16 HE ARG 16 15.928 18.926 7.195 116 HH11 ARG 16 1HH1 ARG 16 13.880 18.074 4.512 117 HH12 ARG 16 2HH1 ARG 16 14.145 19.564 3.667 118 HH21 ARG 16 1HH2 ARG 16 16.286 20.891 6.093 119 HH22 ARG 16 2HH2 ARG 16 15.515 21.165 4.567 120 H ASN 17 H ASN 17 12.670 12.685 4.926 121 HA ASN 17 HA ASN 17 13.519 11.463 2.414 122 HB2 ASN 17 2HB ASN 17 15.237 11.183 4.389 123 HB3 ASN 17 3HB ASN 17 14.094 9.960 4.938 124 HD21 ASN 17 1HD2 ASN 17 13.916 8.055 3.844 125 HD22 ASN 17 2HD2 ASN 17 14.976 7.594 2.559 126 H GLY 18 H GLY 18 12.713 9.084 2.377 127 HA2 GLY 18 2HA GLY 18 10.482 8.381 3.994 128 HA3 GLY 18 3HA GLY 18 9.944 9.069 2.470 129 H LYS 19 H LYS 19 9.665 6.339 3.553 130 HA LYS 19 HA LYS 19 10.458 4.936 1.155 131 HB2 LYS 19 2HB LYS 19 11.301 3.135 3.103 132 HB3 LYS 19 3HB LYS 19 12.326 4.039 1.996 133 HG2 LYS 19 2HG LYS 19 12.522 5.833 3.649 134 HG3 LYS 19 3HG LYS 19 11.510 4.910 4.761 135 HD2 LYS 19 2HD LYS 19 14.082 3.843 3.616 136 HD3 LYS 19 3HD LYS 19 14.007 4.746 5.131 137 HE2 LYS 19 2HE LYS 19 12.836 3.076 6.219 138 HE3 LYS 19 3HE LYS 19 12.214 2.392 4.718 139 HZ1 LYS 19 3HZ LYS 19 14.577 1.736 4.233 140 HZ2 LYS 19 1HZ LYS 19 13.836 0.904 5.506 141 HZ3 LYS 19 2HZ LYS 19 14.945 2.137 5.834 142 H CYS 20 H CYS 20 9.820 2.475 1.497 143 HA CYS 20 HA CYS 20 7.048 2.539 2.391 144 HB2 CYS 20 2HB CYS 20 8.617 0.970 0.460 145 HB3 CYS 20 3HB CYS 20 7.436 0.030 1.366 146 H ILE 21 H ILE 21 6.158 1.057 3.850 147 HA ILE 21 HA ILE 21 8.058 -0.547 5.413 148 HB ILE 21 HB ILE 21 7.566 1.645 6.558 149 HG12 ILE 21 2HG1 ILE 21 6.435 -0.456 8.322 150 HG13 ILE 21 3HG1 ILE 21 8.000 -0.802 7.595 151 HG21 ILE 21 1HG2 ILE 21 5.023 1.278 5.789 152 HG22 ILE 21 2HG2 ILE 21 4.934 0.626 7.424 153 HG23 ILE 21 3HG2 ILE 21 5.483 2.282 7.164 154 HD11 ILE 21 3HD1 ILE 21 7.637 0.516 9.926 155 HD12 ILE 21 1HD1 ILE 21 9.064 0.667 8.902 156 HD13 ILE 21 2HD1 ILE 21 7.770 1.860 8.792 157 H ASN 22 H ASN 22 7.038 -2.234 6.700 158 HA ASN 22 HA ASN 22 5.415 -3.930 5.369 159 HB2 ASN 22 2HB ASN 22 6.439 -3.798 7.964 160 HB3 ASN 22 3HB ASN 22 4.703 -3.994 8.184 161 HD21 ASN 22 1HD2 ASN 22 4.231 -6.032 8.522 162 HD22 ASN 22 2HD2 ASN 22 4.918 -7.390 7.702 163 H SER 23 H SER 23 4.168 -1.783 7.935 164 HA SER 23 HA SER 23 1.479 -2.242 7.592 165 HB2 SER 23 2HB SER 23 3.114 -0.148 8.794 166 HB3 SER 23 3HB SER 23 1.586 0.473 8.169 167 HG SER 23 HG SER 23 0.775 -0.307 9.937 168 H ASN 24 H ASN 24 3.541 0.031 5.833 169 HA ASN 24 HA ASN 24 2.225 -0.123 3.418 170 HB2 ASN 24 2HB ASN 24 0.812 1.539 5.343 171 HB3 ASN 24 3HB ASN 24 1.257 2.444 3.899 172 HD21 ASN 24 1HD2 ASN 24 -1.097 2.540 3.661 173 HD22 ASN 24 2HD2 ASN 24 -1.897 1.239 2.853 174 H CYS 25 H CYS 25 2.951 2.919 5.094 175 HA CYS 25 HA CYS 25 5.548 3.089 3.798 176 HB2 CYS 25 2HB CYS 25 3.360 4.201 2.525 177 HB3 CYS 25 3HB CYS 25 4.043 5.564 3.406 178 H HIS 26 H HIS 26 6.729 5.091 4.487 179 HA HIS 26 HA HIS 26 5.798 6.480 6.819 180 HB2 HIS 26 2HB HIS 26 7.469 5.664 8.379 181 HB3 HIS 26 3HB HIS 26 6.504 4.311 7.796 182 HD1 HIS 26 HD1 HIS 26 7.985 3.763 5.142 183 HD2 HIS 26 HD2 HIS 26 9.864 4.430 8.787 184 HE1 HIS 26 HE1 HIS 26 10.251 2.693 4.936 185 H CYS 27 H CYS 27 6.732 8.429 6.925 186 HA CYS 27 HA CYS 27 8.971 8.962 5.115 187 HB2 CYS 27 2HB CYS 27 7.323 11.012 6.592 188 HB3 CYS 27 3HB CYS 27 8.320 11.250 5.161 189 H TYR 28 H TYR 28 10.344 10.942 6.011 190 HA TYR 28 HA TYR 28 10.997 10.530 8.833 191 HB2 TYR 28 2HB TYR 28 12.918 10.189 6.530 192 HB3 TYR 28 3HB TYR 28 13.456 10.487 8.180 193 HD1 TYR 28 HD2 TYR 28 11.470 8.125 6.105 194 HD2 TYR 28 HD1 TYR 28 13.679 8.714 9.694 195 HE1 TYR 28 HE2 TYR 28 11.334 5.715 6.578 196 HE2 TYR 28 HE1 TYR 28 13.551 6.306 10.175 197 HH TYR 28 HH TYR 28 13.247 4.167 8.794 198 H TYR 29 H TYR 29 11.010 12.454 9.765 199 HA TYR 29 HA TYR 29 11.592 14.828 8.150 200 HB2 TYR 29 2HB TYR 29 10.498 14.781 10.961 201 HB3 TYR 29 3HB TYR 29 10.439 16.102 9.800 202 HD1 TYR 29 HD1 TYR 29 9.504 14.698 7.374 203 HD2 TYR 29 HD2 TYR 29 8.260 14.315 11.425 204 HE1 TYR 29 HE1 TYR 29 7.292 13.936 6.617 205 HE2 TYR 29 HE2 TYR 29 6.045 13.551 10.679 206 HH TYR 29 HH TYR 29 5.272 12.312 8.179 Start of MODEL 4 1 H1 ALA 1 H ALA 1 -0.802 1.862 -0.355 2 HA ALA 1 HA ALA 1 1.777 0.886 -0.364 3 HB1 ALA 1 1HB ALA 1 -0.459 0.363 -1.798 4 HB2 ALA 1 2HB ALA 1 0.560 1.112 -3.028 5 HB3 ALA 1 3HB ALA 1 1.133 -0.309 -2.155 6 H CYS 2 H CYS 2 3.310 1.131 -2.328 7 HA CYS 2 HA CYS 2 4.101 3.922 -2.408 8 HB2 CYS 2 2HB CYS 2 5.495 1.551 -3.661 9 HB3 CYS 2 3HB CYS 2 6.185 3.134 -3.321 10 H VAL 3 H VAL 3 3.783 5.263 -4.062 11 HA VAL 3 HA VAL 3 2.924 4.114 -6.639 12 HB VAL 3 HB VAL 3 1.684 6.274 -6.986 13 HG11 VAL 3 1HG1 VAL 3 -0.021 4.949 -6.470 14 HG12 VAL 3 2HG1 VAL 3 0.989 4.010 -5.369 15 HG13 VAL 3 3HG1 VAL 3 0.148 5.448 -4.787 16 HG21 VAL 3 3HG2 VAL 3 2.366 6.624 -4.072 17 HG22 VAL 3 1HG2 VAL 3 2.762 7.704 -5.409 18 HG23 VAL 3 2HG2 VAL 3 1.086 7.517 -4.894 19 H GLU 4 H GLU 4 4.660 6.756 -5.053 20 HA GLU 4 HA GLU 4 6.351 6.994 -7.429 21 HB2 GLU 4 2HB GLU 4 6.243 9.424 -7.401 22 HB3 GLU 4 3HB GLU 4 4.636 8.748 -7.628 23 HG2 GLU 4 2HG GLU 4 4.214 9.085 -5.206 24 HG3 GLU 4 3HG GLU 4 5.774 9.897 -5.092 25 H ASN 5 H ASN 5 6.914 5.707 -5.000 26 HA ASN 5 HA ASN 5 8.602 5.520 -3.486 27 HB2 ASN 5 2HB ASN 5 9.844 8.061 -4.493 28 HB3 ASN 5 3HB ASN 5 10.630 6.599 -3.904 29 HD21 ASN 5 1HD2 ASN 5 10.714 8.243 -6.464 30 HD22 ASN 5 2HD2 ASN 5 10.574 7.058 -7.715 31 H CYS 6 H CYS 6 8.154 5.880 -1.425 32 HA CYS 6 HA CYS 6 6.682 7.974 -0.395 33 HB2 CYS 6 2HB CYS 6 8.229 5.766 0.666 34 HB3 CYS 6 3HB CYS 6 8.363 7.185 1.699 35 H ARG 7 H ARG 7 10.093 7.809 -1.067 36 HA ARG 7 HA ARG 7 11.040 9.891 0.523 37 HB2 ARG 7 2HB ARG 7 12.011 8.302 -1.641 38 HB3 ARG 7 3HB ARG 7 12.396 9.985 -1.975 39 HG2 ARG 7 2HG ARG 7 13.235 9.968 0.505 40 HG3 ARG 7 3HG ARG 7 13.335 8.227 0.233 41 HD2 ARG 7 2HD ARG 7 14.525 10.147 -1.731 42 HD3 ARG 7 3HD ARG 7 15.400 9.713 -0.263 43 HE ARG 7 HE ARG 7 14.685 7.319 -1.339 44 HH11 ARG 7 1HH1 ARG 7 16.398 10.110 -2.518 45 HH12 ARG 7 2HH1 ARG 7 17.389 9.202 -3.612 46 HH21 ARG 7 1HH2 ARG 7 15.983 6.112 -2.775 47 HH22 ARG 7 2HH2 ARG 7 17.152 6.928 -3.757 48 H LYS 8 H LYS 8 10.481 10.184 -2.984 49 HA LYS 8 HA LYS 8 10.335 13.012 -2.901 50 HB2 LYS 8 2HB LYS 8 10.738 11.231 -4.878 51 HB3 LYS 8 3HB LYS 8 9.035 11.576 -5.149 52 HG2 LYS 8 2HG LYS 8 9.628 13.385 -6.273 53 HG3 LYS 8 3HG LYS 8 10.280 14.062 -4.778 54 HD2 LYS 8 2HD LYS 8 11.999 14.106 -6.457 55 HD3 LYS 8 3HD LYS 8 12.422 12.889 -5.250 56 HE2 LYS 8 2HE LYS 8 11.864 11.118 -6.679 57 HE3 LYS 8 3HE LYS 8 10.942 12.164 -7.758 58 HZ1 LYS 8 3HZ LYS 8 13.551 11.386 -8.073 59 HZ2 LYS 8 1HZ LYS 8 13.659 12.995 -7.562 60 HZ3 LYS 8 2HZ LYS 8 12.755 12.603 -8.936 61 H TYR 9 H TYR 9 7.946 10.468 -2.689 62 HA TYR 9 HA TYR 9 5.636 11.962 -3.211 63 HB2 TYR 9 2HB TYR 9 5.390 9.616 -3.150 64 HB3 TYR 9 3HB TYR 9 6.141 9.493 -1.563 65 HD1 TYR 9 HD1 TYR 9 3.136 10.914 -3.255 66 HD2 TYR 9 HD2 TYR 9 4.800 9.334 0.328 67 HE1 TYR 9 HE1 TYR 9 0.912 10.966 -2.206 68 HE2 TYR 9 HE2 TYR 9 2.581 9.380 1.386 69 HH TYR 9 HH TYR 9 0.343 9.570 0.964 70 H CYS 10 H CYS 10 7.450 11.452 -0.223 71 HA CYS 10 HA CYS 10 5.590 13.088 1.297 72 HB2 CYS 10 2HB CYS 10 7.050 10.959 2.035 73 HB3 CYS 10 3HB CYS 10 8.179 12.236 2.478 74 H GLN 11 H GLN 11 8.854 13.269 -0.008 75 HA GLN 11 HA GLN 11 9.734 15.593 1.242 76 HB2 GLN 11 2HB GLN 11 10.355 14.338 -1.414 77 HB3 GLN 11 3HB GLN 11 11.076 15.877 -0.962 78 HG2 GLN 11 2HG GLN 11 12.357 14.951 0.697 79 HG3 GLN 11 3HG GLN 11 11.263 13.589 0.930 80 HE21 GLN 11 1HE2 GLN 11 13.064 12.189 0.842 81 HE22 GLN 11 2HE2 GLN 11 13.792 11.767 -0.666 82 H ASP 12 H ASP 12 7.389 15.155 -1.253 83 HA ASP 12 HA ASP 12 7.455 17.863 -2.211 84 HB2 ASP 12 2HB ASP 12 6.590 15.662 -3.380 85 HB3 ASP 12 3HB ASP 12 5.076 16.091 -2.590 86 H LYS 13 H LYS 13 5.903 16.165 0.361 87 HA LYS 13 HA LYS 13 4.119 18.449 0.860 88 HB2 LYS 13 2HB LYS 13 3.011 16.842 2.488 89 HB3 LYS 13 3HB LYS 13 2.841 16.463 0.779 90 HG2 LYS 13 2HG LYS 13 4.645 14.816 0.972 91 HG3 LYS 13 3HG LYS 13 4.785 15.185 2.692 92 HD2 LYS 13 2HD LYS 13 2.073 14.511 1.773 93 HD3 LYS 13 3HD LYS 13 3.248 13.198 1.669 94 HE2 LYS 13 2HE LYS 13 3.146 12.873 3.865 95 HE3 LYS 13 3HE LYS 13 3.538 14.565 4.172 96 HZ1 LYS 13 3HZ LYS 13 1.290 13.566 4.975 97 HZ2 LYS 13 1HZ LYS 13 0.800 13.861 3.382 98 HZ3 LYS 13 2HZ LYS 13 1.345 15.137 4.350 99 H GLY 14 H GLY 14 7.114 17.571 1.635 100 HA2 GLY 14 2HA GLY 14 8.322 18.858 3.276 101 HA3 GLY 14 3HA GLY 14 6.906 18.781 4.313 102 H ALA 15 H ALA 15 9.791 17.185 3.276 103 HA ALA 15 HA ALA 15 10.036 15.669 5.617 104 HB1 ALA 15 1HB ALA 15 9.667 13.631 3.570 105 HB2 ALA 15 2HB ALA 15 9.075 13.692 5.230 106 HB3 ALA 15 3HB ALA 15 8.186 14.512 3.947 107 H ARG 16 H ARG 16 12.090 14.934 5.832 108 HA ARG 16 HA ARG 16 14.005 15.686 3.862 109 HB2 ARG 16 2HB ARG 16 14.019 14.739 6.609 110 HB3 ARG 16 3HB ARG 16 15.300 13.997 5.660 111 HG2 ARG 16 2HG ARG 16 16.197 15.947 6.664 112 HG3 ARG 16 3HG ARG 16 15.986 16.293 4.947 113 HD2 ARG 16 2HD ARG 16 13.628 16.961 6.500 114 HD3 ARG 16 3HD ARG 16 15.061 17.817 7.068 115 HE ARG 16 HE ARG 16 15.087 18.100 4.340 116 HH11 ARG 16 1HH1 ARG 16 12.868 18.864 6.912 117 HH12 ARG 16 2HH1 ARG 16 12.193 20.236 6.098 118 HH21 ARG 16 1HH2 ARG 16 14.207 19.905 3.258 119 HH22 ARG 16 2HH2 ARG 16 12.954 20.827 4.019 120 H ASN 17 H ASN 17 12.800 12.562 5.043 121 HA ASN 17 HA ASN 17 13.616 11.351 2.512 122 HB2 ASN 17 2HB ASN 17 15.361 11.017 4.412 123 HB3 ASN 17 3HB ASN 17 14.186 9.882 5.070 124 HD21 ASN 17 1HD2 ASN 17 13.948 7.914 4.151 125 HD22 ASN 17 2HD2 ASN 17 14.899 7.346 2.825 126 H GLY 18 H GLY 18 12.759 9.005 2.425 127 HA2 GLY 18 2HA GLY 18 10.524 8.310 4.044 128 HA3 GLY 18 3HA GLY 18 9.993 9.034 2.533 129 H LYS 19 H LYS 19 9.698 6.282 3.596 130 HA LYS 19 HA LYS 19 10.459 4.908 1.164 131 HB2 LYS 19 2HB LYS 19 11.256 3.056 3.079 132 HB3 LYS 19 3HB LYS 19 12.307 3.968 2.003 133 HG2 LYS 19 2HG LYS 19 12.467 5.739 3.715 134 HG3 LYS 19 3HG LYS 19 11.496 4.739 4.799 135 HD2 LYS 19 2HD LYS 19 13.723 3.258 3.688 136 HD3 LYS 19 3HD LYS 19 14.264 4.710 4.534 137 HE2 LYS 19 2HE LYS 19 14.207 3.173 6.248 138 HE3 LYS 19 3HE LYS 19 12.610 3.907 6.382 139 HZ1 LYS 19 3HZ LYS 19 13.349 1.238 5.410 140 HZ2 LYS 19 1HZ LYS 19 11.956 1.973 4.793 141 HZ3 LYS 19 2HZ LYS 19 12.099 1.692 6.455 142 H CYS 20 H CYS 20 9.795 2.434 1.511 143 HA CYS 20 HA CYS 20 7.007 2.544 2.356 144 HB2 CYS 20 2HB CYS 20 8.572 0.977 0.431 145 HB3 CYS 20 3HB CYS 20 7.403 0.021 1.337 146 H ILE 21 H ILE 21 6.070 1.060 3.789 147 HA ILE 21 HA ILE 21 7.925 -0.560 5.390 148 HB ILE 21 HB ILE 21 7.429 1.633 6.529 149 HG12 ILE 21 2HG1 ILE 21 6.238 -0.463 8.260 150 HG13 ILE 21 3HG1 ILE 21 7.819 -0.816 7.572 151 HG21 ILE 21 1HG2 ILE 21 4.767 0.640 7.332 152 HG22 ILE 21 2HG2 ILE 21 5.341 2.290 7.095 153 HG23 ILE 21 3HG2 ILE 21 4.902 1.300 5.703 154 HD11 ILE 21 3HD1 ILE 21 7.099 1.558 9.273 155 HD12 ILE 21 1HD1 ILE 21 8.055 0.160 9.762 156 HD13 ILE 21 2HD1 ILE 21 8.677 1.270 8.541 157 H ASN 22 H ASN 22 6.865 -2.240 6.653 158 HA ASN 22 HA ASN 22 5.258 -3.923 5.290 159 HB2 ASN 22 2HB ASN 22 5.164 -3.495 8.285 160 HB3 ASN 22 3HB ASN 22 4.604 -4.935 7.440 161 HD21 ASN 22 1HD2 ASN 22 6.423 -5.220 9.395 162 HD22 ASN 22 2HD2 ASN 22 7.969 -5.623 8.737 163 H SER 23 H SER 23 3.970 -1.757 7.819 164 HA SER 23 HA SER 23 1.286 -2.197 7.416 165 HB2 SER 23 2HB SER 23 2.205 -0.841 9.266 166 HB3 SER 23 3HB SER 23 2.577 0.450 8.124 167 HG SER 23 HG SER 23 0.040 -0.522 8.910 168 H ASN 24 H ASN 24 3.403 0.069 5.711 169 HA ASN 24 HA ASN 24 2.145 -0.080 3.263 170 HB2 ASN 24 2HB ASN 24 0.704 1.600 5.154 171 HB3 ASN 24 3HB ASN 24 1.184 2.492 3.713 172 HD21 ASN 24 1HD2 ASN 24 -1.462 1.653 4.646 173 HD22 ASN 24 2HD2 ASN 24 -2.140 0.720 3.359 174 H CYS 25 H CYS 25 2.856 2.955 4.955 175 HA CYS 25 HA CYS 25 5.479 3.105 3.707 176 HB2 CYS 25 2HB CYS 25 3.332 4.244 2.401 177 HB3 CYS 25 3HB CYS 25 3.990 5.595 3.318 178 H HIS 26 H HIS 26 6.668 5.092 4.430 179 HA HIS 26 HA HIS 26 5.723 6.482 6.750 180 HB2 HIS 26 2HB HIS 26 7.344 5.622 8.344 181 HB3 HIS 26 3HB HIS 26 6.347 4.300 7.743 182 HD1 HIS 26 HD1 HIS 26 7.910 3.809 5.078 183 HD2 HIS 26 HD2 HIS 26 9.638 4.204 8.835 184 HE1 HIS 26 HE1 HIS 26 10.131 2.639 4.923 185 H CYS 27 H CYS 27 6.724 8.398 6.924 186 HA CYS 27 HA CYS 27 8.992 8.899 5.142 187 HB2 CYS 27 2HB CYS 27 7.397 10.963 6.658 188 HB3 CYS 27 3HB CYS 27 8.418 11.207 5.245 189 H TYR 28 H TYR 28 10.397 10.842 6.108 190 HA TYR 28 HA TYR 28 11.024 10.347 8.918 191 HB2 TYR 28 2HB TYR 28 12.945 9.947 6.627 192 HB3 TYR 28 3HB TYR 28 13.488 10.218 8.279 193 HD1 TYR 28 HD2 TYR 28 11.470 7.932 6.161 194 HD2 TYR 28 HD1 TYR 28 13.587 8.444 9.816 195 HE1 TYR 28 HE2 TYR 28 11.239 5.527 6.625 196 HE2 TYR 28 HE1 TYR 28 13.363 6.041 10.290 197 HH TYR 28 HH TYR 28 12.948 3.980 9.199 198 H TYR 29 H TYR 29 11.122 12.253 9.880 199 HA TYR 29 HA TYR 29 11.760 14.632 8.302 200 HB2 TYR 29 2HB TYR 29 10.778 14.564 11.154 201 HB3 TYR 29 3HB TYR 29 10.720 15.910 10.021 202 HD1 TYR 29 HD1 TYR 29 9.643 14.579 7.609 203 HD2 TYR 29 HD2 TYR 29 8.541 14.181 11.699 204 HE1 TYR 29 HE1 TYR 29 7.376 13.912 6.927 205 HE2 TYR 29 HE2 TYR 29 6.271 13.512 11.029 206 HH TYR 29 HH TYR 29 5.173 13.764 7.756 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -0.627 1.307 -0.105 2 HA ALA 1 HA ALA 1 1.585 0.778 -0.586 3 HB1 ALA 1 1HB ALA 1 0.464 0.318 -3.330 4 HB2 ALA 1 2HB ALA 1 1.644 -0.645 -2.439 5 HB3 ALA 1 3HB ALA 1 -0.050 -0.649 -1.947 6 H CYS 2 H CYS 2 3.530 1.280 -1.683 7 HA CYS 2 HA CYS 2 3.955 3.945 -2.273 8 HB2 CYS 2 2HB CYS 2 5.561 1.611 -3.331 9 HB3 CYS 2 3HB CYS 2 6.121 3.271 -3.163 10 H VAL 3 H VAL 3 3.742 5.209 -4.020 11 HA VAL 3 HA VAL 3 2.964 3.921 -6.557 12 HB VAL 3 HB VAL 3 1.694 6.028 -7.047 13 HG11 VAL 3 1HG1 VAL 3 -0.249 5.295 -5.985 14 HG12 VAL 3 2HG1 VAL 3 0.753 3.844 -6.070 15 HG13 VAL 3 3HG1 VAL 3 0.627 4.743 -4.558 16 HG21 VAL 3 3HG2 VAL 3 2.329 6.571 -4.153 17 HG22 VAL 3 1HG2 VAL 3 2.708 7.577 -5.551 18 HG23 VAL 3 2HG2 VAL 3 1.033 7.379 -5.035 19 H GLU 4 H GLU 4 4.632 6.650 -5.054 20 HA GLU 4 HA GLU 4 6.356 6.817 -7.415 21 HB2 GLU 4 2HB GLU 4 6.245 9.252 -7.441 22 HB3 GLU 4 3HB GLU 4 4.647 8.562 -7.684 23 HG2 GLU 4 2HG GLU 4 4.183 8.945 -5.273 24 HG3 GLU 4 3HG GLU 4 5.729 9.783 -5.158 25 H ASN 5 H ASN 5 6.930 5.583 -4.981 26 HA ASN 5 HA ASN 5 8.611 5.440 -3.454 27 HB2 ASN 5 2HB ASN 5 9.816 7.993 -4.472 28 HB3 ASN 5 3HB ASN 5 10.622 6.548 -3.869 29 HD21 ASN 5 1HD2 ASN 5 10.722 8.168 -6.433 30 HD22 ASN 5 2HD2 ASN 5 10.598 6.977 -7.679 31 H CYS 6 H CYS 6 8.144 5.811 -1.399 32 HA CYS 6 HA CYS 6 6.632 7.899 -0.404 33 HB2 CYS 6 2HB CYS 6 8.288 5.762 0.726 34 HB3 CYS 6 3HB CYS 6 8.177 7.183 1.760 35 H ARG 7 H ARG 7 10.042 7.765 -1.058 36 HA ARG 7 HA ARG 7 10.969 9.850 0.544 37 HB2 ARG 7 2HB ARG 7 11.964 8.266 -1.607 38 HB3 ARG 7 3HB ARG 7 12.323 9.951 -1.961 39 HG2 ARG 7 2HG ARG 7 13.249 10.064 0.419 40 HG3 ARG 7 3HG ARG 7 13.204 8.301 0.378 41 HD2 ARG 7 2HD ARG 7 15.403 9.102 -0.259 42 HD3 ARG 7 3HD ARG 7 14.614 8.325 -1.631 43 HE ARG 7 HE ARG 7 14.007 10.964 -1.919 44 HH11 ARG 7 1HH1 ARG 7 16.962 9.158 -1.570 45 HH12 ARG 7 2HH1 ARG 7 17.907 10.273 -2.500 46 HH21 ARG 7 1HH2 ARG 7 15.240 12.440 -3.145 47 HH22 ARG 7 2HH2 ARG 7 16.926 12.140 -3.395 48 H LYS 8 H LYS 8 10.389 10.135 -2.962 49 HA LYS 8 HA LYS 8 10.217 12.969 -2.862 50 HB2 LYS 8 2HB LYS 8 10.658 11.183 -4.846 51 HB3 LYS 8 3HB LYS 8 8.968 11.566 -5.148 52 HG2 LYS 8 2HG LYS 8 9.416 13.762 -5.667 53 HG3 LYS 8 3HG LYS 8 10.928 13.779 -4.756 54 HD2 LYS 8 2HD LYS 8 10.974 11.843 -6.917 55 HD3 LYS 8 3HD LYS 8 10.654 13.479 -7.498 56 HE2 LYS 8 2HE LYS 8 12.704 14.247 -6.875 57 HE3 LYS 8 3HE LYS 8 12.819 13.147 -5.502 58 HZ1 LYS 8 3HZ LYS 8 12.889 11.987 -8.185 59 HZ2 LYS 8 1HZ LYS 8 13.685 11.497 -6.775 60 HZ3 LYS 8 2HZ LYS 8 14.264 12.819 -7.657 61 H TYR 9 H TYR 9 7.866 10.380 -2.730 62 HA TYR 9 HA TYR 9 5.540 11.831 -3.275 63 HB2 TYR 9 2HB TYR 9 5.344 9.477 -3.220 64 HB3 TYR 9 3HB TYR 9 6.062 9.371 -1.617 65 HD1 TYR 9 HD1 TYR 9 3.063 10.694 -3.391 66 HD2 TYR 9 HD2 TYR 9 4.687 9.223 0.256 67 HE1 TYR 9 HE1 TYR 9 0.814 10.702 -2.393 68 HE2 TYR 9 HE2 TYR 9 2.444 9.226 1.263 69 HH TYR 9 HH TYR 9 -0.281 9.250 -0.315 70 H CYS 10 H CYS 10 7.355 11.404 -0.284 71 HA CYS 10 HA CYS 10 5.427 13.001 1.207 72 HB2 CYS 10 2HB CYS 10 6.874 10.876 1.981 73 HB3 CYS 10 3HB CYS 10 7.989 12.156 2.450 74 H GLN 11 H GLN 11 8.736 13.184 0.009 75 HA GLN 11 HA GLN 11 9.541 15.534 1.273 76 HB2 GLN 11 2HB GLN 11 10.315 14.217 -1.309 77 HB3 GLN 11 3HB GLN 11 10.991 15.781 -0.874 78 HG2 GLN 11 2HG GLN 11 12.204 14.931 0.870 79 HG3 GLN 11 3HG GLN 11 11.113 13.567 1.107 80 HE21 GLN 11 1HE2 GLN 11 13.435 12.665 1.217 81 HE22 GLN 11 2HE2 GLN 11 14.040 12.005 -0.260 82 H ASP 12 H ASP 12 7.311 15.035 -1.304 83 HA ASP 12 HA ASP 12 7.424 17.722 -2.325 84 HB2 ASP 12 2HB ASP 12 6.701 15.619 -3.606 85 HB3 ASP 12 3HB ASP 12 5.168 15.771 -2.753 86 H LYS 13 H LYS 13 5.769 16.080 0.213 87 HA LYS 13 HA LYS 13 3.937 18.353 0.564 88 HB2 LYS 13 2HB LYS 13 2.783 16.777 2.194 89 HB3 LYS 13 3HB LYS 13 2.685 16.352 0.490 90 HG2 LYS 13 2HG LYS 13 4.494 14.731 0.795 91 HG3 LYS 13 3HG LYS 13 4.571 15.150 2.508 92 HD2 LYS 13 2HD LYS 13 1.895 14.428 1.534 93 HD3 LYS 13 3HD LYS 13 3.082 13.122 1.475 94 HE2 LYS 13 2HE LYS 13 2.479 12.797 3.616 95 HE3 LYS 13 3HE LYS 13 3.566 14.147 3.936 96 HZ1 LYS 13 3HZ LYS 13 0.729 14.640 3.308 97 HZ2 LYS 13 1HZ LYS 13 1.815 15.612 4.167 98 HZ3 LYS 13 2HZ LYS 13 1.190 14.211 4.878 99 H GLY 14 H GLY 14 6.900 17.471 1.523 100 HA2 GLY 14 2HA GLY 14 8.013 18.859 3.169 101 HA3 GLY 14 3HA GLY 14 6.557 18.771 4.149 102 H ALA 15 H ALA 15 9.509 17.205 3.248 103 HA ALA 15 HA ALA 15 9.698 15.750 5.634 104 HB1 ALA 15 1HB ALA 15 9.370 13.724 3.524 105 HB2 ALA 15 2HB ALA 15 8.906 13.681 5.226 106 HB3 ALA 15 3HB ALA 15 7.889 14.521 4.055 107 H ARG 16 H ARG 16 11.680 14.652 5.840 108 HA ARG 16 HA ARG 16 13.706 15.558 4.004 109 HB2 ARG 16 2HB ARG 16 13.812 13.933 6.544 110 HB3 ARG 16 3HB ARG 16 15.242 14.320 5.596 111 HG2 ARG 16 2HG ARG 16 13.383 16.308 6.883 112 HG3 ARG 16 3HG ARG 16 14.985 15.850 7.462 113 HD2 ARG 16 2HD ARG 16 15.248 16.595 4.747 114 HD3 ARG 16 3HD ARG 16 14.268 17.830 5.536 115 HE ARG 16 HE ARG 16 16.374 17.423 7.232 116 HH11 ARG 16 1HH1 ARG 16 16.024 18.306 3.882 117 HH12 ARG 16 2HH1 ARG 16 17.477 19.249 3.844 118 HH21 ARG 16 1HH2 ARG 16 18.289 18.662 7.194 119 HH22 ARG 16 2HH2 ARG 16 18.765 19.450 5.728 120 H ASN 17 H ASN 17 12.528 12.388 5.115 121 HA ASN 17 HA ASN 17 13.392 11.250 2.556 122 HB2 ASN 17 2HB ASN 17 14.996 10.851 4.619 123 HB3 ASN 17 3HB ASN 17 13.804 9.622 5.029 124 HD21 ASN 17 1HD2 ASN 17 13.626 7.800 3.780 125 HD22 ASN 17 2HD2 ASN 17 14.769 7.386 2.552 126 H GLY 18 H GLY 18 12.519 8.908 2.380 127 HA2 GLY 18 2HA GLY 18 10.158 8.272 3.869 128 HA3 GLY 18 3HA GLY 18 9.775 8.935 2.287 129 H LYS 19 H LYS 19 9.495 6.198 3.560 130 HA LYS 19 HA LYS 19 10.338 4.719 1.214 131 HB2 LYS 19 2HB LYS 19 11.096 3.020 3.315 132 HB3 LYS 19 3HB LYS 19 12.148 3.796 2.138 133 HG2 LYS 19 2HG LYS 19 12.342 5.743 3.636 134 HG3 LYS 19 3HG LYS 19 11.355 4.894 4.828 135 HD2 LYS 19 2HD LYS 19 13.924 3.778 3.721 136 HD3 LYS 19 3HD LYS 19 13.852 4.770 5.180 137 HE2 LYS 19 2HE LYS 19 12.747 3.150 6.386 138 HE3 LYS 19 3HE LYS 19 12.064 2.395 4.948 139 HZ1 LYS 19 3HZ LYS 19 14.792 2.127 4.701 140 HZ2 LYS 19 1HZ LYS 19 13.684 0.911 5.098 141 HZ3 LYS 19 2HZ LYS 19 14.468 1.775 6.323 142 H CYS 20 H CYS 20 9.658 2.297 1.556 143 HA CYS 20 HA CYS 20 6.871 2.382 2.398 144 HB2 CYS 20 2HB CYS 20 8.426 0.891 0.445 145 HB3 CYS 20 3HB CYS 20 7.402 -0.168 1.409 146 H ILE 21 H ILE 21 5.965 1.051 3.939 147 HA ILE 21 HA ILE 21 7.810 -0.601 5.525 148 HB ILE 21 HB ILE 21 7.355 1.616 6.627 149 HG12 ILE 21 2HG1 ILE 21 6.144 -0.436 8.401 150 HG13 ILE 21 3HG1 ILE 21 7.722 -0.812 7.717 151 HG21 ILE 21 1HG2 ILE 21 4.814 1.299 5.825 152 HG22 ILE 21 2HG2 ILE 21 4.686 0.686 7.473 153 HG23 ILE 21 3HG2 ILE 21 5.281 2.320 7.185 154 HD11 ILE 21 3HD1 ILE 21 7.946 0.202 9.900 155 HD12 ILE 21 1HD1 ILE 21 8.610 1.263 8.658 156 HD13 ILE 21 2HD1 ILE 21 7.030 1.610 9.362 157 H ASN 22 H ASN 22 6.748 -2.247 6.828 158 HA ASN 22 HA ASN 22 5.109 -3.938 5.516 159 HB2 ASN 22 2HB ASN 22 5.048 -3.450 8.503 160 HB3 ASN 22 3HB ASN 22 4.466 -4.900 7.691 161 HD21 ASN 22 1HD2 ASN 22 6.630 -4.393 9.688 162 HD22 ASN 22 2HD2 ASN 22 8.038 -5.123 9.002 163 H SER 23 H SER 23 3.868 -1.712 8.017 164 HA SER 23 HA SER 23 1.176 -2.130 7.645 165 HB2 SER 23 2HB SER 23 2.164 -0.742 9.456 166 HB3 SER 23 3HB SER 23 2.472 0.533 8.278 167 HG SER 23 HG SER 23 0.405 1.023 8.247 168 H ASN 24 H ASN 24 3.299 0.089 5.886 169 HA ASN 24 HA ASN 24 2.024 -0.091 3.450 170 HB2 ASN 24 2HB ASN 24 0.604 1.628 5.323 171 HB3 ASN 24 3HB ASN 24 1.080 2.494 3.866 172 HD21 ASN 24 1HD2 ASN 24 0.788 0.879 1.856 173 HD22 ASN 24 2HD2 ASN 24 -0.815 0.244 1.738 174 H CYS 25 H CYS 25 2.762 2.968 5.089 175 HA CYS 25 HA CYS 25 5.382 3.082 3.831 176 HB2 CYS 25 2HB CYS 25 3.208 4.228 2.534 177 HB3 CYS 25 3HB CYS 25 3.955 5.581 3.377 178 H HIS 26 H HIS 26 6.602 5.040 4.528 179 HA HIS 26 HA HIS 26 5.647 6.467 6.838 180 HB2 HIS 26 2HB HIS 26 7.324 5.665 8.400 181 HB3 HIS 26 3HB HIS 26 6.361 4.307 7.825 182 HD1 HIS 26 HD1 HIS 26 7.805 3.671 5.206 183 HD2 HIS 26 HD2 HIS 26 9.756 4.516 8.775 184 HE1 HIS 26 HE1 HIS 26 10.082 2.625 4.992 185 H CYS 27 H CYS 27 6.645 8.394 7.042 186 HA CYS 27 HA CYS 27 8.881 8.928 5.214 187 HB2 CYS 27 2HB CYS 27 7.167 10.985 6.606 188 HB3 CYS 27 3HB CYS 27 8.213 11.215 5.208 189 H TYR 28 H TYR 28 10.284 10.854 6.066 190 HA TYR 28 HA TYR 28 10.856 10.509 8.923 191 HB2 TYR 28 2HB TYR 28 12.839 10.232 6.663 192 HB3 TYR 28 3HB TYR 28 13.318 10.492 8.337 193 HD1 TYR 28 HD1 TYR 28 11.306 8.180 6.211 194 HD2 TYR 28 HD2 TYR 28 13.644 8.663 9.733 195 HE1 TYR 28 HE1 TYR 28 11.190 5.756 6.613 196 HE2 TYR 28 HE2 TYR 28 13.536 6.240 10.144 197 HH TYR 28 HH TYR 28 12.949 4.252 9.288 198 H TYR 29 H TYR 29 11.031 12.401 9.914 199 HA TYR 29 HA TYR 29 11.571 14.791 8.285 200 HB2 TYR 29 2HB TYR 29 10.308 14.759 11.024 201 HB3 TYR 29 3HB TYR 29 10.305 16.066 9.845 202 HD1 TYR 29 HD2 TYR 29 9.537 14.603 7.387 203 HD2 TYR 29 HD1 TYR 29 8.044 14.297 11.359 204 HE1 TYR 29 HE2 TYR 29 7.380 13.812 6.509 205 HE2 TYR 29 HE1 TYR 29 5.883 13.504 10.492 206 HH TYR 29 HH TYR 29 5.000 12.410 8.473 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -0.830 1.733 0.222 2 HA ALA 1 HA ALA 1 1.522 0.870 -0.434 3 HB1 ALA 1 1HB ALA 1 -0.344 -0.118 -1.514 4 HB2 ALA 1 2HB ALA 1 -0.668 1.347 -2.441 5 HB3 ALA 1 3HB ALA 1 0.770 0.386 -2.785 6 H CYS 2 H CYS 2 3.243 1.222 -1.881 7 HA CYS 2 HA CYS 2 3.959 3.958 -2.217 8 HB2 CYS 2 2HB CYS 2 5.312 1.548 -3.440 9 HB3 CYS 2 3HB CYS 2 6.025 3.129 -3.137 10 H VAL 3 H VAL 3 3.615 5.276 -3.880 11 HA VAL 3 HA VAL 3 2.721 4.096 -6.431 12 HB VAL 3 HB VAL 3 1.518 6.273 -6.804 13 HG11 VAL 3 1HG1 VAL 3 -0.257 5.088 -6.199 14 HG12 VAL 3 2HG1 VAL 3 0.782 4.022 -5.252 15 HG13 VAL 3 3HG1 VAL 3 0.062 5.448 -4.503 16 HG21 VAL 3 3HG2 VAL 3 0.969 7.563 -4.725 17 HG22 VAL 3 1HG2 VAL 3 2.243 6.660 -3.905 18 HG23 VAL 3 2HG2 VAL 3 2.641 7.711 -5.265 19 H GLU 4 H GLU 4 4.522 6.738 -4.918 20 HA GLU 4 HA GLU 4 6.184 6.900 -7.322 21 HB2 GLU 4 2HB GLU 4 6.130 9.334 -7.322 22 HB3 GLU 4 3HB GLU 4 4.507 8.689 -7.521 23 HG2 GLU 4 2HG GLU 4 4.127 9.060 -5.094 24 HG3 GLU 4 3HG GLU 4 5.700 9.851 -5.017 25 H ASN 5 H ASN 5 6.774 5.628 -4.902 26 HA ASN 5 HA ASN 5 8.489 5.424 -3.421 27 HB2 ASN 5 2HB ASN 5 9.737 7.950 -4.455 28 HB3 ASN 5 3HB ASN 5 10.520 6.484 -3.873 29 HD21 ASN 5 1HD2 ASN 5 10.500 8.143 -6.457 30 HD22 ASN 5 2HD2 ASN 5 10.359 6.945 -7.693 31 H CYS 6 H CYS 6 8.151 5.801 -1.342 32 HA CYS 6 HA CYS 6 6.685 7.884 -0.276 33 HB2 CYS 6 2HB CYS 6 8.309 5.708 0.748 34 HB3 CYS 6 3HB CYS 6 8.435 7.137 1.769 35 H ARG 7 H ARG 7 10.060 7.766 -1.095 36 HA ARG 7 HA ARG 7 11.040 9.871 0.455 37 HB2 ARG 7 2HB ARG 7 11.947 8.285 -1.753 38 HB3 ARG 7 3HB ARG 7 12.330 9.973 -2.064 39 HG2 ARG 7 2HG ARG 7 13.222 9.899 0.400 40 HG3 ARG 7 3HG ARG 7 13.318 8.166 0.081 41 HD2 ARG 7 2HD ARG 7 14.563 10.312 -1.634 42 HD3 ARG 7 3HD ARG 7 15.423 9.373 -0.415 43 HE ARG 7 HE ARG 7 14.767 8.544 -3.055 44 HH11 ARG 7 1HH1 ARG 7 15.145 7.391 0.208 45 HH12 ARG 7 2HH1 ARG 7 15.544 5.775 -0.271 46 HH21 ARG 7 1HH2 ARG 7 15.292 6.420 -3.698 47 HH22 ARG 7 2HH2 ARG 7 15.628 5.223 -2.493 48 H LYS 8 H LYS 8 10.409 10.136 -3.039 49 HA LYS 8 HA LYS 8 10.208 12.957 -2.970 50 HB2 LYS 8 2HB LYS 8 10.583 11.154 -4.944 51 HB3 LYS 8 3HB LYS 8 8.876 11.506 -5.183 52 HG2 LYS 8 2HG LYS 8 9.376 13.392 -6.221 53 HG3 LYS 8 3HG LYS 8 10.292 13.958 -4.821 54 HD2 LYS 8 2HD LYS 8 12.293 13.282 -5.686 55 HD3 LYS 8 3HD LYS 8 11.575 11.943 -6.585 56 HE2 LYS 8 2HE LYS 8 11.072 13.244 -8.387 57 HE3 LYS 8 3HE LYS 8 10.840 14.694 -7.412 58 HZ1 LYS 8 3HZ LYS 8 12.840 15.313 -8.105 59 HZ2 LYS 8 1HZ LYS 8 13.168 13.800 -8.786 60 HZ3 LYS 8 2HZ LYS 8 13.499 14.081 -7.152 61 H TYR 9 H TYR 9 7.885 10.384 -2.611 62 HA TYR 9 HA TYR 9 5.528 11.820 -3.122 63 HB2 TYR 9 2HB TYR 9 5.335 9.469 -3.007 64 HB3 TYR 9 3HB TYR 9 6.123 9.398 -1.434 65 HD1 TYR 9 HD1 TYR 9 3.044 10.660 -3.110 66 HD2 TYR 9 HD2 TYR 9 4.837 9.317 0.507 67 HE1 TYR 9 HE1 TYR 9 0.842 10.691 -2.013 68 HE2 TYR 9 HE2 TYR 9 2.640 9.343 1.613 69 HH TYR 9 HH TYR 9 0.464 10.426 1.356 70 H CYS 10 H CYS 10 7.447 11.429 -0.187 71 HA CYS 10 HA CYS 10 5.593 13.068 1.345 72 HB2 CYS 10 2HB CYS 10 7.122 10.964 2.080 73 HB3 CYS 10 3HB CYS 10 8.195 12.288 2.523 74 H GLN 11 H GLN 11 8.852 13.228 0.012 75 HA GLN 11 HA GLN 11 9.701 15.608 1.187 76 HB2 GLN 11 2HB GLN 11 10.360 14.312 -1.449 77 HB3 GLN 11 3HB GLN 11 11.115 15.817 -0.943 78 HG2 GLN 11 2HG GLN 11 12.359 14.818 0.676 79 HG3 GLN 11 3HG GLN 11 11.174 13.543 0.955 80 HE21 GLN 11 1HE2 GLN 11 13.542 12.584 0.915 81 HE22 GLN 11 2HE2 GLN 11 13.970 11.848 -0.587 82 H ASP 12 H ASP 12 7.386 15.045 -1.308 83 HA ASP 12 HA ASP 12 7.444 17.721 -2.367 84 HB2 ASP 12 2HB ASP 12 6.669 15.502 -3.520 85 HB3 ASP 12 3HB ASP 12 5.131 15.850 -2.737 86 H LYS 13 H LYS 13 5.958 16.139 0.283 87 HA LYS 13 HA LYS 13 4.120 18.411 0.660 88 HB2 LYS 13 2HB LYS 13 2.994 16.781 2.311 89 HB3 LYS 13 3HB LYS 13 2.765 16.508 0.589 90 HG2 LYS 13 2HG LYS 13 4.575 14.820 0.662 91 HG3 LYS 13 3HG LYS 13 4.664 15.044 2.411 92 HD2 LYS 13 2HD LYS 13 3.306 13.102 1.879 93 HD3 LYS 13 3HD LYS 13 2.306 14.366 2.599 94 HE2 LYS 13 2HE LYS 13 2.507 14.438 -0.335 95 HE3 LYS 13 3HE LYS 13 1.685 13.026 0.327 96 HZ1 LYS 13 3HZ LYS 13 0.987 15.784 1.144 97 HZ2 LYS 13 1HZ LYS 13 0.088 14.368 1.366 98 HZ3 LYS 13 2HZ LYS 13 0.260 15.026 -0.183 99 H GLY 14 H GLY 14 7.078 17.586 1.514 100 HA2 GLY 14 2HA GLY 14 8.214 18.879 3.202 101 HA3 GLY 14 3HA GLY 14 6.779 18.746 4.206 102 H ALA 15 H ALA 15 9.719 17.230 3.188 103 HA ALA 15 HA ALA 15 9.976 15.696 5.514 104 HB1 ALA 15 1HB ALA 15 9.605 13.711 3.386 105 HB2 ALA 15 2HB ALA 15 9.128 13.663 5.083 106 HB3 ALA 15 3HB ALA 15 8.128 14.519 3.910 107 H ARG 16 H ARG 16 12.042 14.999 5.734 108 HA ARG 16 HA ARG 16 13.944 15.781 3.753 109 HB2 ARG 16 2HB ARG 16 13.973 14.981 6.523 110 HB3 ARG 16 3HB ARG 16 15.226 14.127 5.633 111 HG2 ARG 16 2HG ARG 16 16.451 15.946 6.071 112 HG3 ARG 16 3HG ARG 16 15.573 16.648 4.710 113 HD2 ARG 16 2HD ARG 16 13.821 17.176 6.651 114 HD3 ARG 16 3HD ARG 16 15.294 17.140 7.619 115 HE ARG 16 HE ARG 16 15.911 18.744 5.501 116 HH11 ARG 16 1HH1 ARG 16 13.415 18.727 7.927 117 HH12 ARG 16 2HH1 ARG 16 13.233 20.450 7.939 118 HH21 ARG 16 1HH2 ARG 16 15.682 21.013 5.507 119 HH22 ARG 16 2HH2 ARG 16 14.522 21.750 6.561 120 H ASN 17 H ASN 17 12.746 12.672 4.957 121 HA ASN 17 HA ASN 17 13.617 11.420 2.471 122 HB2 ASN 17 2HB ASN 17 15.350 11.182 4.435 123 HB3 ASN 17 3HB ASN 17 14.219 9.963 5.017 124 HD21 ASN 17 1HD2 ASN 17 14.056 8.033 3.973 125 HD22 ASN 17 2HD2 ASN 17 15.102 7.555 2.684 126 H GLY 18 H GLY 18 12.835 9.032 2.472 127 HA2 GLY 18 2HA GLY 18 10.629 8.314 4.107 128 HA3 GLY 18 3HA GLY 18 10.062 9.001 2.592 129 H LYS 19 H LYS 19 9.771 6.280 3.631 130 HA LYS 19 HA LYS 19 10.577 4.887 1.235 131 HB2 LYS 19 2HB LYS 19 11.418 3.071 3.164 132 HB3 LYS 19 3HB LYS 19 12.447 3.994 2.077 133 HG2 LYS 19 2HG LYS 19 12.639 5.760 3.752 134 HG3 LYS 19 3HG LYS 19 11.605 4.835 4.844 135 HD2 LYS 19 2HD LYS 19 14.182 3.755 3.723 136 HD3 LYS 19 3HD LYS 19 14.099 4.651 5.242 137 HE2 LYS 19 2HE LYS 19 12.886 2.988 6.303 138 HE3 LYS 19 3HE LYS 19 12.299 2.307 4.787 139 HZ1 LYS 19 3HZ LYS 19 13.983 0.892 4.776 140 HZ2 LYS 19 1HZ LYS 19 14.478 1.471 6.287 141 HZ3 LYS 19 2HZ LYS 19 15.113 2.148 4.873 142 H CYS 20 H CYS 20 9.934 2.427 1.557 143 HA CYS 20 HA CYS 20 7.160 2.486 2.439 144 HB2 CYS 20 2HB CYS 20 8.745 0.916 0.522 145 HB3 CYS 20 3HB CYS 20 7.559 -0.024 1.422 146 H ILE 21 H ILE 21 6.261 1.019 3.901 147 HA ILE 21 HA ILE 21 8.149 -0.586 5.480 148 HB ILE 21 HB ILE 21 7.660 1.604 6.621 149 HG12 ILE 21 2HG1 ILE 21 6.485 -0.493 8.365 150 HG13 ILE 21 3HG1 ILE 21 8.064 -0.838 7.669 151 HG21 ILE 21 1HG2 ILE 21 5.013 0.630 7.474 152 HG22 ILE 21 2HG2 ILE 21 5.579 2.273 7.176 153 HG23 ILE 21 3HG2 ILE 21 5.116 1.241 5.823 154 HD11 ILE 21 3HD1 ILE 21 7.287 1.093 9.744 155 HD12 ILE 21 1HD1 ILE 21 8.785 0.188 9.531 156 HD13 ILE 21 2HD1 ILE 21 8.494 1.648 8.584 157 H ASN 22 H ASN 22 7.125 -2.274 6.754 158 HA ASN 22 HA ASN 22 5.502 -3.965 5.417 159 HB2 ASN 22 2HB ASN 22 6.441 -3.751 8.089 160 HB3 ASN 22 3HB ASN 22 4.728 -4.154 8.166 161 HD21 ASN 22 1HD2 ASN 22 4.162 -5.856 6.359 162 HD22 ASN 22 2HD2 ASN 22 5.184 -7.249 6.366 163 H SER 23 H SER 23 4.258 -1.819 7.985 164 HA SER 23 HA SER 23 1.569 -2.276 7.644 165 HB2 SER 23 2HB SER 23 3.141 -0.454 9.086 166 HB3 SER 23 3HB SER 23 2.026 0.538 8.148 167 HG SER 23 HG SER 23 1.222 -0.167 10.232 168 H ASN 24 H ASN 24 3.632 -0.004 5.885 169 HA ASN 24 HA ASN 24 2.316 -0.155 3.471 170 HB2 ASN 24 2HB ASN 24 0.902 1.506 5.397 171 HB3 ASN 24 3HB ASN 24 1.346 2.411 3.953 172 HD21 ASN 24 1HD2 ASN 24 -1.010 2.504 3.718 173 HD22 ASN 24 2HD2 ASN 24 -1.808 1.203 2.909 174 H CYS 25 H CYS 25 3.032 2.891 5.141 175 HA CYS 25 HA CYS 25 5.634 3.061 3.854 176 HB2 CYS 25 2HB CYS 25 3.479 4.137 2.534 177 HB3 CYS 25 3HB CYS 25 4.077 5.516 3.450 178 H HIS 26 H HIS 26 6.837 5.020 4.563 179 HA HIS 26 HA HIS 26 5.886 6.441 6.872 180 HB2 HIS 26 2HB HIS 26 7.537 5.623 8.452 181 HB3 HIS 26 3HB HIS 26 6.569 4.273 7.867 182 HD1 HIS 26 HD1 HIS 26 8.091 3.749 5.211 183 HD2 HIS 26 HD2 HIS 26 9.900 4.328 8.906 184 HE1 HIS 26 HE1 HIS 26 10.347 2.651 5.035 185 H CYS 27 H CYS 27 6.824 8.388 6.965 186 HA CYS 27 HA CYS 27 9.073 8.903 5.166 187 HB2 CYS 27 2HB CYS 27 7.442 10.957 6.658 188 HB3 CYS 27 3HB CYS 27 8.449 11.200 5.234 189 H TYR 28 H TYR 28 10.438 10.900 6.086 190 HA TYR 28 HA TYR 28 11.103 10.462 8.898 191 HB2 TYR 28 2HB TYR 28 13.012 10.087 6.592 192 HB3 TYR 28 3HB TYR 28 13.563 10.395 8.235 193 HD1 TYR 28 HD1 TYR 28 11.581 8.027 6.173 194 HD2 TYR 28 HD2 TYR 28 13.735 8.643 9.789 195 HE1 TYR 28 HE1 TYR 28 11.424 5.623 6.669 196 HE2 TYR 28 HE2 TYR 28 13.585 6.241 10.295 197 HH TYR 28 HH TYR 28 13.290 4.086 8.927 198 H TYR 29 H TYR 29 11.180 12.378 9.843 199 HA TYR 29 HA TYR 29 11.743 14.753 8.225 200 HB2 TYR 29 2HB TYR 29 10.746 14.702 11.072 201 HB3 TYR 29 3HB TYR 29 10.661 16.030 9.919 202 HD1 TYR 29 HD2 TYR 29 9.633 14.632 7.522 203 HD2 TYR 29 HD1 TYR 29 8.517 14.270 11.612 204 HE1 TYR 29 HE2 TYR 29 7.387 13.898 6.839 205 HE2 TYR 29 HE1 TYR 29 6.269 13.534 10.940 206 HH TYR 29 HH TYR 29 5.256 13.561 7.575 Start of MODEL 7 1 H1 ALA 1 H ALA 1 0.350 1.715 -0.799 2 HA ALA 1 HA ALA 1 2.695 0.181 -0.675 3 HB1 ALA 1 1HB ALA 1 1.586 -1.336 -2.197 4 HB2 ALA 1 2HB ALA 1 1.234 -0.010 -3.306 5 HB3 ALA 1 3HB ALA 1 2.903 -0.510 -3.031 6 H CYS 2 H CYS 2 4.265 0.976 -2.577 7 HA CYS 2 HA CYS 2 4.188 3.880 -2.404 8 HB2 CYS 2 2HB CYS 2 6.369 2.166 -3.599 9 HB3 CYS 2 3HB CYS 2 6.494 3.833 -3.047 10 H VAL 3 H VAL 3 3.109 4.927 -3.938 11 HA VAL 3 HA VAL 3 2.767 3.806 -6.580 12 HB VAL 3 HB VAL 3 1.422 5.822 -7.037 13 HG11 VAL 3 1HG1 VAL 3 0.466 3.794 -5.940 14 HG12 VAL 3 2HG1 VAL 3 0.681 4.599 -4.385 15 HG13 VAL 3 3HG1 VAL 3 -0.406 5.286 -5.592 16 HG21 VAL 3 3HG2 VAL 3 2.057 7.660 -5.914 17 HG22 VAL 3 1HG2 VAL 3 1.001 7.049 -4.641 18 HG23 VAL 3 2HG2 VAL 3 2.735 6.729 -4.578 19 H GLU 4 H GLU 4 4.594 6.394 -5.060 20 HA GLU 4 HA GLU 4 6.235 6.605 -7.457 21 HB2 GLU 4 2HB GLU 4 6.109 9.032 -7.535 22 HB3 GLU 4 3HB GLU 4 4.507 8.337 -7.735 23 HG2 GLU 4 2HG GLU 4 4.101 8.764 -5.312 24 HG3 GLU 4 3HG GLU 4 5.637 9.627 -5.266 25 H ASN 5 H ASN 5 6.806 5.423 -4.983 26 HA ASN 5 HA ASN 5 8.490 5.313 -3.457 27 HB2 ASN 5 2HB ASN 5 9.712 7.825 -4.552 28 HB3 ASN 5 3HB ASN 5 10.508 6.389 -3.915 29 HD21 ASN 5 1HD2 ASN 5 10.630 7.931 -6.516 30 HD22 ASN 5 2HD2 ASN 5 10.482 6.712 -7.731 31 H CYS 6 H CYS 6 8.016 5.745 -1.416 32 HA CYS 6 HA CYS 6 6.526 7.867 -0.474 33 HB2 CYS 6 2HB CYS 6 8.099 5.719 0.684 34 HB3 CYS 6 3HB CYS 6 8.180 7.177 1.667 35 H ARG 7 H ARG 7 9.944 7.697 -1.114 36 HA ARG 7 HA ARG 7 10.880 9.832 0.403 37 HB2 ARG 7 2HB ARG 7 11.859 8.183 -1.701 38 HB3 ARG 7 3HB ARG 7 12.208 9.855 -2.122 39 HG2 ARG 7 2HG ARG 7 13.081 9.977 0.341 40 HG3 ARG 7 3HG ARG 7 13.204 8.226 0.161 41 HD2 ARG 7 2HD ARG 7 14.290 9.860 -2.048 42 HD3 ARG 7 3HD ARG 7 15.166 9.928 -0.520 43 HE ARG 7 HE ARG 7 14.560 7.256 -1.384 44 HH11 ARG 7 1HH1 ARG 7 16.810 9.902 -1.624 45 HH12 ARG 7 2HH1 ARG 7 18.148 8.895 -2.069 46 HH21 ARG 7 1HH2 ARG 7 16.314 5.920 -1.969 47 HH22 ARG 7 2HH2 ARG 7 17.865 6.630 -2.266 48 H LYS 8 H LYS 8 10.291 10.026 -3.107 49 HA LYS 8 HA LYS 8 10.137 12.852 -3.108 50 HB2 LYS 8 2HB LYS 8 10.514 11.017 -5.036 51 HB3 LYS 8 3HB LYS 8 8.804 11.342 -5.287 52 HG2 LYS 8 2HG LYS 8 9.446 13.049 -6.551 53 HG3 LYS 8 3HG LYS 8 9.913 13.858 -5.053 54 HD2 LYS 8 2HD LYS 8 12.143 13.413 -5.349 55 HD3 LYS 8 3HD LYS 8 11.837 11.956 -6.296 56 HE2 LYS 8 2HE LYS 8 11.388 13.177 -8.241 57 HE3 LYS 8 3HE LYS 8 11.139 14.677 -7.348 58 HZ1 LYS 8 3HZ LYS 8 13.376 14.135 -8.638 59 HZ2 LYS 8 1HZ LYS 8 13.774 13.454 -7.141 60 HZ3 LYS 8 2HZ LYS 8 13.343 15.086 -7.239 61 H TYR 9 H TYR 9 7.741 10.311 -2.831 62 HA TYR 9 HA TYR 9 5.430 11.800 -3.339 63 HB2 TYR 9 2HB TYR 9 5.175 9.458 -3.229 64 HB3 TYR 9 3HB TYR 9 5.956 9.360 -1.655 65 HD1 TYR 9 HD2 TYR 9 2.908 10.684 -3.336 66 HD2 TYR 9 HD1 TYR 9 4.667 9.312 0.288 67 HE1 TYR 9 HE2 TYR 9 0.705 10.760 -2.244 68 HE2 TYR 9 HE1 TYR 9 2.469 9.383 1.389 69 HH TYR 9 HH TYR 9 -0.427 10.472 -0.360 70 H CYS 10 H CYS 10 7.343 11.422 -0.408 71 HA CYS 10 HA CYS 10 5.485 13.055 1.127 72 HB2 CYS 10 2HB CYS 10 6.954 10.959 1.897 73 HB3 CYS 10 3HB CYS 10 8.118 12.234 2.246 74 H GLN 11 H GLN 11 8.698 13.242 -0.290 75 HA GLN 11 HA GLN 11 9.591 15.603 0.890 76 HB2 GLN 11 2HB GLN 11 10.149 14.319 -1.771 77 HB3 GLN 11 3HB GLN 11 10.893 15.849 -1.325 78 HG2 GLN 11 2HG GLN 11 12.206 14.903 0.291 79 HG3 GLN 11 3HG GLN 11 11.094 13.562 0.564 80 HE21 GLN 11 1HE2 GLN 11 12.970 12.207 0.461 81 HE22 GLN 11 2HE2 GLN 11 13.610 11.730 -1.072 82 H ASP 12 H ASP 12 7.150 15.083 -1.478 83 HA ASP 12 HA ASP 12 7.171 17.766 -2.522 84 HB2 ASP 12 2HB ASP 12 6.245 15.459 -3.533 85 HB3 ASP 12 3HB ASP 12 4.754 16.065 -2.816 86 H LYS 13 H LYS 13 5.773 16.145 0.167 87 HA LYS 13 HA LYS 13 3.957 18.409 0.653 88 HB2 LYS 13 2HB LYS 13 2.956 16.809 2.385 89 HB3 LYS 13 3HB LYS 13 2.674 16.440 0.688 90 HG2 LYS 13 2HG LYS 13 4.494 14.797 0.755 91 HG3 LYS 13 3HG LYS 13 4.734 15.151 2.468 92 HD2 LYS 13 2HD LYS 13 1.984 14.446 1.640 93 HD3 LYS 13 3HD LYS 13 3.180 13.150 1.575 94 HE2 LYS 13 2HE LYS 13 3.105 12.913 3.783 95 HE3 LYS 13 3HE LYS 13 3.480 14.619 4.016 96 HZ1 LYS 13 3HZ LYS 13 1.420 14.918 4.724 97 HZ2 LYS 13 1HZ LYS 13 1.041 13.294 4.438 98 HZ3 LYS 13 2HZ LYS 13 0.816 14.442 3.217 99 H GLY 14 H GLY 14 6.985 17.555 1.361 100 HA2 GLY 14 2HA GLY 14 8.235 18.905 2.922 101 HA3 GLY 14 3HA GLY 14 6.853 18.847 4.006 102 H ALA 15 H ALA 15 9.699 17.216 2.892 103 HA ALA 15 HA ALA 15 10.052 15.783 5.273 104 HB1 ALA 15 1HB ALA 15 8.247 14.373 4.678 105 HB2 ALA 15 2HB ALA 15 8.826 14.211 3.020 106 HB3 ALA 15 3HB ALA 15 9.719 13.461 4.343 107 H ARG 16 H ARG 16 12.117 15.072 5.422 108 HA ARG 16 HA ARG 16 13.939 15.749 3.344 109 HB2 ARG 16 2HB ARG 16 14.101 14.724 6.101 110 HB3 ARG 16 3HB ARG 16 15.418 14.223 5.050 111 HG2 ARG 16 2HG ARG 16 16.360 16.148 5.678 112 HG3 ARG 16 3HG ARG 16 15.276 16.875 4.491 113 HD2 ARG 16 2HD ARG 16 13.893 17.738 6.079 114 HD3 ARG 16 3HD ARG 16 14.195 16.420 7.211 115 HE ARG 16 HE ARG 16 16.498 18.059 6.858 116 HH11 ARG 16 1HH1 ARG 16 13.421 17.878 8.475 117 HH12 ARG 16 2HH1 ARG 16 13.900 18.908 9.783 118 HH21 ARG 16 1HH2 ARG 16 17.142 19.416 8.574 119 HH22 ARG 16 2HH2 ARG 16 16.017 19.783 9.838 120 H ASN 17 H ASN 17 12.782 12.668 4.673 121 HA ASN 17 HA ASN 17 13.492 11.375 2.151 122 HB2 ASN 17 2HB ASN 17 15.313 11.096 3.988 123 HB3 ASN 17 3HB ASN 17 14.164 9.985 4.728 124 HD21 ASN 17 1HD2 ASN 17 13.882 7.991 3.879 125 HD22 ASN 17 2HD2 ASN 17 14.779 7.378 2.535 126 H GLY 18 H GLY 18 12.628 9.029 2.174 127 HA2 GLY 18 2HA GLY 18 10.463 8.390 3.905 128 HA3 GLY 18 3HA GLY 18 9.868 9.072 2.398 129 H LYS 19 H LYS 19 9.594 6.357 3.535 130 HA LYS 19 HA LYS 19 10.261 4.912 1.119 131 HB2 LYS 19 2HB LYS 19 11.119 3.104 3.043 132 HB3 LYS 19 3HB LYS 19 12.137 3.991 1.917 133 HG2 LYS 19 2HG LYS 19 12.359 5.793 3.587 134 HG3 LYS 19 3HG LYS 19 11.416 4.822 4.720 135 HD2 LYS 19 2HD LYS 19 13.608 3.315 3.566 136 HD3 LYS 19 3HD LYS 19 14.172 4.773 4.385 137 HE2 LYS 19 2HE LYS 19 14.155 3.243 6.110 138 HE3 LYS 19 3HE LYS 19 12.570 3.997 6.284 139 HZ1 LYS 19 3HZ LYS 19 13.254 1.309 5.329 140 HZ2 LYS 19 1HZ LYS 19 11.861 2.052 4.722 141 HZ3 LYS 19 2HZ LYS 19 12.025 1.796 6.385 142 H CYS 20 H CYS 20 9.590 2.457 1.547 143 HA CYS 20 HA CYS 20 6.838 2.608 2.497 144 HB2 CYS 20 2HB CYS 20 8.345 0.899 0.611 145 HB3 CYS 20 3HB CYS 20 7.077 0.089 1.525 146 H ILE 21 H ILE 21 5.948 1.171 4.004 147 HA ILE 21 HA ILE 21 7.853 -0.423 5.572 148 HB ILE 21 HB ILE 21 7.406 1.802 6.672 149 HG12 ILE 21 2HG1 ILE 21 6.281 -0.243 8.505 150 HG13 ILE 21 3HG1 ILE 21 7.830 -0.625 7.760 151 HG21 ILE 21 1HG2 ILE 21 4.776 0.830 7.601 152 HG22 ILE 21 2HG2 ILE 21 5.341 2.473 7.308 153 HG23 ILE 21 3HG2 ILE 21 4.849 1.457 5.954 154 HD11 ILE 21 3HD1 ILE 21 8.061 2.006 8.665 155 HD12 ILE 21 1HD1 ILE 21 7.243 1.121 9.953 156 HD13 ILE 21 2HD1 ILE 21 8.803 0.559 9.350 157 H ASN 22 H ASN 22 6.832 -2.065 6.917 158 HA ASN 22 HA ASN 22 5.170 -3.774 5.655 159 HB2 ASN 22 2HB ASN 22 6.251 -3.615 8.209 160 HB3 ASN 22 3HB ASN 22 4.516 -3.721 8.496 161 HD21 ASN 22 1HD2 ASN 22 6.720 -5.155 6.112 162 HD22 ASN 22 2HD2 ASN 22 6.243 -6.790 6.404 163 H SER 23 H SER 23 3.983 -1.543 8.177 164 HA SER 23 HA SER 23 1.284 -1.978 7.880 165 HB2 SER 23 2HB SER 23 2.958 0.086 9.045 166 HB3 SER 23 3HB SER 23 1.482 0.770 8.367 167 HG SER 23 HG SER 23 1.589 -0.217 10.662 168 H ASN 24 H ASN 24 3.349 0.232 6.042 169 HA ASN 24 HA ASN 24 1.999 0.030 3.648 170 HB2 ASN 24 2HB ASN 24 0.641 1.768 5.548 171 HB3 ASN 24 3HB ASN 24 1.072 2.619 4.067 172 HD21 ASN 24 1HD2 ASN 24 -1.519 1.661 5.225 173 HD22 ASN 24 2HD2 ASN 24 -2.260 0.764 3.948 174 H CYS 25 H CYS 25 2.791 3.102 5.234 175 HA CYS 25 HA CYS 25 5.368 3.201 3.888 176 HB2 CYS 25 2HB CYS 25 3.183 4.318 2.629 177 HB3 CYS 25 3HB CYS 25 3.879 5.690 3.487 178 H HIS 26 H HIS 26 6.588 5.209 4.510 179 HA HIS 26 HA HIS 26 5.739 6.667 6.821 180 HB2 HIS 26 2HB HIS 26 7.400 5.835 8.387 181 HB3 HIS 26 3HB HIS 26 6.371 4.508 7.857 182 HD1 HIS 26 HD1 HIS 26 7.858 3.951 5.149 183 HD2 HIS 26 HD2 HIS 26 9.679 4.377 8.859 184 HE1 HIS 26 HE1 HIS 26 10.056 2.744 4.961 185 H CYS 27 H CYS 27 6.750 8.581 6.882 186 HA CYS 27 HA CYS 27 8.964 9.004 5.019 187 HB2 CYS 27 2HB CYS 27 7.437 11.117 6.540 188 HB3 CYS 27 3HB CYS 27 8.428 11.329 5.101 189 H TYR 28 H TYR 28 10.422 10.961 5.886 190 HA TYR 28 HA TYR 28 11.150 10.529 8.681 191 HB2 TYR 28 2HB TYR 28 12.975 10.033 6.331 192 HB3 TYR 28 3HB TYR 28 13.588 10.352 7.950 193 HD1 TYR 28 HD1 TYR 28 11.475 8.019 5.984 194 HD2 TYR 28 HD2 TYR 28 13.710 8.633 9.552 195 HE1 TYR 28 HE1 TYR 28 11.235 5.635 6.537 196 HE2 TYR 28 HE2 TYR 28 13.478 6.250 10.114 197 HH TYR 28 HH TYR 28 12.996 4.166 9.136 198 H TYR 29 H TYR 29 11.307 12.459 9.585 199 HA TYR 29 HA TYR 29 11.943 14.780 7.917 200 HB2 TYR 29 2HB TYR 29 11.002 14.824 10.782 201 HB3 TYR 29 3HB TYR 29 10.942 16.129 9.602 202 HD1 TYR 29 HD1 TYR 29 9.814 14.710 7.259 203 HD2 TYR 29 HD2 TYR 29 8.766 14.505 11.377 204 HE1 TYR 29 HE1 TYR 29 7.528 14.047 6.638 205 HE2 TYR 29 HE2 TYR 29 6.478 13.840 10.768 206 HH TYR 29 HH TYR 29 5.156 14.256 7.859 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.052 -0.033 -1.990 2 HA ALA 1 HA ALA 1 2.864 -0.338 -1.203 3 HB1 ALA 1 1HB ALA 1 3.288 -1.019 -3.484 4 HB2 ALA 1 2HB ALA 1 1.956 -1.964 -2.817 5 HB3 ALA 1 3HB ALA 1 1.625 -0.641 -3.935 6 H CYS 2 H CYS 2 4.457 0.861 -2.602 7 HA CYS 2 HA CYS 2 3.899 3.653 -2.455 8 HB2 CYS 2 2HB CYS 2 6.250 2.353 -3.836 9 HB3 CYS 2 3HB CYS 2 6.163 3.980 -3.167 10 H VAL 3 H VAL 3 3.343 5.074 -4.010 11 HA VAL 3 HA VAL 3 2.714 3.972 -6.655 12 HB VAL 3 HB VAL 3 1.297 5.948 -6.967 13 HG11 VAL 3 1HG1 VAL 3 0.103 4.150 -6.098 14 HG12 VAL 3 2HG1 VAL 3 0.899 4.255 -4.526 15 HG13 VAL 3 3HG1 VAL 3 -0.291 5.469 -4.996 16 HG21 VAL 3 3HG2 VAL 3 2.716 6.835 -4.563 17 HG22 VAL 3 1HG2 VAL 3 1.941 7.776 -5.838 18 HG23 VAL 3 2HG2 VAL 3 0.975 7.112 -4.520 19 H GLU 4 H GLU 4 4.570 6.473 -5.044 20 HA GLU 4 HA GLU 4 6.132 6.852 -7.467 21 HB2 GLU 4 2HB GLU 4 5.946 9.271 -7.448 22 HB3 GLU 4 3HB GLU 4 4.350 8.554 -7.616 23 HG2 GLU 4 2HG GLU 4 4.049 8.872 -5.151 24 HG3 GLU 4 3HG GLU 4 5.551 9.793 -5.156 25 H ASN 5 H ASN 5 6.759 5.583 -5.034 26 HA ASN 5 HA ASN 5 8.472 5.445 -3.544 27 HB2 ASN 5 2HB ASN 5 9.650 8.000 -4.588 28 HB3 ASN 5 3HB ASN 5 10.471 6.555 -4.006 29 HD21 ASN 5 1HD2 ASN 5 10.676 8.111 -6.529 30 HD22 ASN 5 2HD2 ASN 5 10.460 6.949 -7.789 31 H CYS 6 H CYS 6 8.009 5.808 -1.486 32 HA CYS 6 HA CYS 6 6.530 7.897 -0.458 33 HB2 CYS 6 2HB CYS 6 8.172 5.740 0.626 34 HB3 CYS 6 3HB CYS 6 8.156 7.164 1.662 35 H ARG 7 H ARG 7 9.941 7.750 -1.142 36 HA ARG 7 HA ARG 7 10.887 9.841 0.432 37 HB2 ARG 7 2HB ARG 7 11.849 8.257 -1.737 38 HB3 ARG 7 3HB ARG 7 12.213 9.941 -2.085 39 HG2 ARG 7 2HG ARG 7 13.055 9.910 0.417 40 HG3 ARG 7 3HG ARG 7 13.228 8.187 0.079 41 HD2 ARG 7 2HD ARG 7 14.268 10.037 -1.974 42 HD3 ARG 7 3HD ARG 7 15.138 10.006 -0.441 43 HE ARG 7 HE ARG 7 14.808 7.372 -1.147 44 HH11 ARG 7 1HH1 ARG 7 16.276 10.189 -2.572 45 HH12 ARG 7 2HH1 ARG 7 17.482 9.288 -3.430 46 HH21 ARG 7 1HH2 ARG 7 16.391 6.174 -2.272 47 HH22 ARG 7 2HH2 ARG 7 17.545 7.004 -3.259 48 H LYS 8 H LYS 8 10.277 10.126 -3.068 49 HA LYS 8 HA LYS 8 10.119 12.954 -2.987 50 HB2 LYS 8 2HB LYS 8 10.500 11.169 -4.967 51 HB3 LYS 8 3HB LYS 8 8.793 11.513 -5.215 52 HG2 LYS 8 2HG LYS 8 9.544 13.191 -6.486 53 HG3 LYS 8 3HG LYS 8 9.800 14.019 -4.949 54 HD2 LYS 8 2HD LYS 8 11.812 14.220 -6.214 55 HD3 LYS 8 3HD LYS 8 12.116 13.057 -4.921 56 HE2 LYS 8 2HE LYS 8 11.289 11.381 -6.843 57 HE3 LYS 8 3HE LYS 8 11.968 12.659 -7.849 58 HZ1 LYS 8 3HZ LYS 8 13.589 11.765 -5.600 59 HZ2 LYS 8 1HZ LYS 8 14.058 12.216 -7.162 60 HZ3 LYS 8 2HZ LYS 8 13.417 10.676 -6.882 61 H TYR 9 H TYR 9 7.739 10.395 -2.771 62 HA TYR 9 HA TYR 9 5.418 11.879 -3.251 63 HB2 TYR 9 2HB TYR 9 5.177 9.535 -3.189 64 HB3 TYR 9 3HB TYR 9 5.960 9.408 -1.618 65 HD1 TYR 9 HD1 TYR 9 2.905 10.761 -3.265 66 HD2 TYR 9 HD2 TYR 9 4.669 9.300 0.320 67 HE1 TYR 9 HE1 TYR 9 0.702 10.800 -2.172 68 HE2 TYR 9 HE2 TYR 9 2.471 9.333 1.422 69 HH TYR 9 HH TYR 9 -0.400 9.568 -0.207 70 H CYS 10 H CYS 10 7.345 11.470 -0.336 71 HA CYS 10 HA CYS 10 5.472 13.066 1.226 72 HB2 CYS 10 2HB CYS 10 6.943 10.945 1.954 73 HB3 CYS 10 3HB CYS 10 8.084 12.222 2.366 74 H GLN 11 H GLN 11 8.718 13.250 -0.125 75 HA GLN 11 HA GLN 11 9.599 15.590 1.101 76 HB2 GLN 11 2HB GLN 11 10.203 14.339 -1.565 77 HB3 GLN 11 3HB GLN 11 10.946 15.859 -1.086 78 HG2 GLN 11 2HG GLN 11 12.238 14.886 0.521 79 HG3 GLN 11 3HG GLN 11 11.100 13.568 0.795 80 HE21 GLN 11 1HE2 GLN 11 13.453 12.638 0.712 81 HE22 GLN 11 2HE2 GLN 11 13.898 11.962 -0.814 82 H ASP 12 H ASP 12 7.216 15.119 -1.342 83 HA ASP 12 HA ASP 12 7.271 17.818 -2.337 84 HB2 ASP 12 2HB ASP 12 6.377 15.557 -3.433 85 HB3 ASP 12 3HB ASP 12 4.868 16.096 -2.699 86 H LYS 13 H LYS 13 5.766 16.143 0.273 87 HA LYS 13 HA LYS 13 3.963 18.415 0.760 88 HB2 LYS 13 2HB LYS 13 2.891 16.815 2.423 89 HB3 LYS 13 3HB LYS 13 2.699 16.420 0.720 90 HG2 LYS 13 2HG LYS 13 4.521 14.791 0.901 91 HG3 LYS 13 3HG LYS 13 4.679 15.174 2.616 92 HD2 LYS 13 2HD LYS 13 1.964 14.463 1.725 93 HD3 LYS 13 3HD LYS 13 3.153 13.162 1.638 94 HE2 LYS 13 2HE LYS 13 3.049 12.869 3.838 95 HE3 LYS 13 3HE LYS 13 3.449 14.564 4.116 96 HZ1 LYS 13 3HZ LYS 13 0.833 13.259 4.045 97 HZ2 LYS 13 1HZ LYS 13 0.928 14.854 3.489 98 HZ3 LYS 13 2HZ LYS 13 1.404 14.479 5.068 99 H GLY 14 H GLY 14 6.972 17.548 1.523 100 HA2 GLY 14 2HA GLY 14 8.176 18.890 3.134 101 HA3 GLY 14 3HA GLY 14 6.778 18.783 4.193 102 H ALA 15 H ALA 15 9.672 17.235 3.097 103 HA ALA 15 HA ALA 15 10.005 15.742 5.441 104 HB1 ALA 15 1HB ALA 15 9.145 13.701 5.072 105 HB2 ALA 15 2HB ALA 15 8.099 14.543 3.928 106 HB3 ALA 15 3HB ALA 15 9.554 13.725 3.357 107 H ARG 16 H ARG 16 12.072 15.017 5.600 108 HA ARG 16 HA ARG 16 13.916 15.779 3.560 109 HB2 ARG 16 2HB ARG 16 14.040 14.806 6.318 110 HB3 ARG 16 3HB ARG 16 15.349 14.204 5.309 111 HG2 ARG 16 2HG ARG 16 16.376 16.107 5.858 112 HG3 ARG 16 3HG ARG 16 15.321 16.845 4.651 113 HD2 ARG 16 2HD ARG 16 13.641 17.094 6.585 114 HD3 ARG 16 3HD ARG 16 15.026 16.792 7.635 115 HE ARG 16 HE ARG 16 15.479 18.868 5.701 116 HH11 ARG 16 1HH1 ARG 16 14.195 18.125 8.851 117 HH12 ARG 16 2HH1 ARG 16 14.389 19.737 9.454 118 HH21 ARG 16 1HH2 ARG 16 15.738 20.995 6.483 119 HH22 ARG 16 2HH2 ARG 16 15.266 21.369 8.106 120 H ASN 17 H ASN 17 12.645 12.701 4.738 121 HA ASN 17 HA ASN 17 13.445 11.441 2.243 122 HB2 ASN 17 2HB ASN 17 15.243 11.177 4.152 123 HB3 ASN 17 3HB ASN 17 14.125 9.953 4.748 124 HD21 ASN 17 1HD2 ASN 17 13.945 8.035 3.698 125 HD22 ASN 17 2HD2 ASN 17 14.941 7.576 2.362 126 H GLY 18 H GLY 18 12.672 9.022 2.330 127 HA2 GLY 18 2HA GLY 18 10.531 8.309 4.022 128 HA3 GLY 18 3HA GLY 18 9.885 9.043 2.562 129 H LYS 19 H LYS 19 9.624 6.297 3.542 130 HA LYS 19 HA LYS 19 10.297 4.964 1.068 131 HB2 LYS 19 2HB LYS 19 11.177 3.077 2.908 132 HB3 LYS 19 3HB LYS 19 12.182 4.016 1.811 133 HG2 LYS 19 2HG LYS 19 12.430 5.740 3.546 134 HG3 LYS 19 3HG LYS 19 11.472 4.746 4.646 135 HD2 LYS 19 2HD LYS 19 13.605 3.199 3.487 136 HD3 LYS 19 3HD LYS 19 14.243 4.660 4.244 137 HE2 LYS 19 2HE LYS 19 14.229 3.236 6.038 138 HE3 LYS 19 3HE LYS 19 12.630 3.961 6.197 139 HZ1 LYS 19 3HZ LYS 19 11.934 1.956 4.725 140 HZ2 LYS 19 1HZ LYS 19 12.156 1.743 6.388 141 HZ3 LYS 19 2HZ LYS 19 13.362 1.260 5.306 142 H CYS 20 H CYS 20 9.646 2.485 1.393 143 HA CYS 20 HA CYS 20 6.897 2.576 2.353 144 HB2 CYS 20 2HB CYS 20 8.424 0.921 0.425 145 HB3 CYS 20 3HB CYS 20 7.121 0.109 1.287 146 H ILE 21 H ILE 21 6.027 1.126 3.840 147 HA ILE 21 HA ILE 21 7.939 -0.533 5.333 148 HB ILE 21 HB ILE 21 7.458 1.678 6.489 149 HG12 ILE 21 2HG1 ILE 21 6.473 -0.412 8.331 150 HG13 ILE 21 3HG1 ILE 21 7.965 -0.800 7.482 151 HG21 ILE 21 1HG2 ILE 21 5.388 2.203 7.301 152 HG22 ILE 21 2HG2 ILE 21 4.924 1.345 5.833 153 HG23 ILE 21 3HG2 ILE 21 4.873 0.519 7.390 154 HD11 ILE 21 3HD1 ILE 21 7.448 1.563 9.267 155 HD12 ILE 21 1HD1 ILE 21 8.512 0.192 9.580 156 HD13 ILE 21 2HD1 ILE 21 8.909 1.345 8.305 157 H ASN 22 H ASN 22 6.908 -2.202 6.656 158 HA ASN 22 HA ASN 22 5.254 -3.883 5.343 159 HB2 ASN 22 2HB ASN 22 4.467 -4.576 7.762 160 HB3 ASN 22 3HB ASN 22 6.135 -4.829 7.255 161 HD21 ASN 22 1HD2 ASN 22 4.079 -3.370 9.498 162 HD22 ASN 22 2HD2 ASN 22 5.263 -2.450 10.356 163 H SER 23 H SER 23 4.057 -1.722 7.921 164 HA SER 23 HA SER 23 1.360 -2.150 7.603 165 HB2 SER 23 2HB SER 23 1.828 -0.839 9.445 166 HB3 SER 23 3HB SER 23 2.974 0.174 8.567 167 HG SER 23 HG SER 23 0.818 1.090 9.134 168 H ASN 24 H ASN 24 3.436 0.090 5.820 169 HA ASN 24 HA ASN 24 2.096 -0.041 3.421 170 HB2 ASN 24 2HB ASN 24 0.714 1.631 5.360 171 HB3 ASN 24 3HB ASN 24 1.160 2.537 3.917 172 HD21 ASN 24 1HD2 ASN 24 -1.184 2.667 3.672 173 HD22 ASN 24 2HD2 ASN 24 -2.007 1.375 2.872 174 H CYS 25 H CYS 25 2.880 2.981 5.109 175 HA CYS 25 HA CYS 25 5.460 3.129 3.776 176 HB2 CYS 25 2HB CYS 25 3.259 4.291 2.556 177 HB3 CYS 25 3HB CYS 25 4.000 5.631 3.424 178 H HIS 26 H HIS 26 6.646 5.159 4.444 179 HA HIS 26 HA HIS 26 5.780 6.539 6.793 180 HB2 HIS 26 2HB HIS 26 7.439 5.678 8.347 181 HB3 HIS 26 3HB HIS 26 6.424 4.357 7.775 182 HD1 HIS 26 HD1 HIS 26 7.914 3.846 5.076 183 HD2 HIS 26 HD2 HIS 26 9.746 4.266 8.781 184 HE1 HIS 26 HE1 HIS 26 10.129 2.674 4.868 185 H CYS 27 H CYS 27 6.719 8.478 6.817 186 HA CYS 27 HA CYS 27 8.953 8.960 5.004 187 HB2 CYS 27 2HB CYS 27 7.419 11.023 6.585 188 HB3 CYS 27 3HB CYS 27 8.395 11.274 5.141 189 H TYR 28 H TYR 28 10.371 10.935 5.939 190 HA TYR 28 HA TYR 28 11.117 10.424 8.713 191 HB2 TYR 28 2HB TYR 28 12.936 9.998 6.347 192 HB3 TYR 28 3HB TYR 28 13.559 10.301 7.965 193 HD1 TYR 28 HD1 TYR 28 11.485 7.964 5.967 194 HD2 TYR 28 HD2 TYR 28 13.691 8.565 9.555 195 HE1 TYR 28 HE1 TYR 28 11.282 5.569 6.486 196 HE2 TYR 28 HE2 TYR 28 13.495 6.172 10.084 197 HH TYR 28 HH TYR 28 12.666 4.211 9.465 198 H TYR 29 H TYR 29 11.303 12.321 9.682 199 HA TYR 29 HA TYR 29 11.864 14.701 8.074 200 HB2 TYR 29 2HB TYR 29 11.024 14.642 10.970 201 HB3 TYR 29 3HB TYR 29 10.906 15.982 9.835 202 HD1 TYR 29 HD1 TYR 29 9.714 14.614 7.489 203 HD2 TYR 29 HD2 TYR 29 8.812 14.281 11.634 204 HE1 TYR 29 HE1 TYR 29 7.415 13.941 6.929 205 HE2 TYR 29 HE2 TYR 29 6.512 13.606 11.085 206 HH TYR 29 HH TYR 29 5.253 13.814 7.869 Start of MODEL 9 1 H1 ALA 1 H ALA 1 5.931 -1.762 -6.724 2 HA ALA 1 HA ALA 1 7.320 -0.303 -4.573 3 HB1 ALA 1 1HB ALA 1 6.288 1.540 -6.476 4 HB2 ALA 1 2HB ALA 1 7.966 1.254 -6.013 5 HB3 ALA 1 3HB ALA 1 7.246 0.331 -7.332 6 H CYS 2 H CYS 2 5.870 1.919 -4.345 7 HA CYS 2 HA CYS 2 3.267 0.905 -3.469 8 HB2 CYS 2 2HB CYS 2 4.572 3.551 -2.809 9 HB3 CYS 2 3HB CYS 2 3.165 2.841 -2.025 10 H VAL 3 H VAL 3 4.373 4.071 -4.678 11 HA VAL 3 HA VAL 3 2.394 4.010 -6.799 12 HB VAL 3 HB VAL 3 1.458 6.242 -6.101 13 HG11 VAL 3 1HG1 VAL 3 0.927 3.905 -4.269 14 HG12 VAL 3 2HG1 VAL 3 -0.145 5.284 -4.521 15 HG13 VAL 3 3HG1 VAL 3 0.192 4.172 -5.849 16 HG21 VAL 3 3HG2 VAL 3 1.586 6.728 -3.644 17 HG22 VAL 3 1HG2 VAL 3 2.876 5.530 -3.541 18 HG23 VAL 3 2HG2 VAL 3 3.092 6.977 -4.526 19 H GLU 4 H GLU 4 4.838 5.871 -5.043 20 HA GLU 4 HA GLU 4 6.243 6.498 -7.439 21 HB2 GLU 4 2HB GLU 4 5.952 8.880 -7.496 22 HB3 GLU 4 3HB GLU 4 4.361 8.135 -7.554 23 HG2 GLU 4 2HG GLU 4 4.281 8.500 -5.035 24 HG3 GLU 4 3HG GLU 4 5.670 9.561 -5.267 25 H ASN 5 H ASN 5 6.801 5.292 -4.908 26 HA ASN 5 HA ASN 5 8.481 5.218 -3.376 27 HB2 ASN 5 2HB ASN 5 9.710 7.702 -4.520 28 HB3 ASN 5 3HB ASN 5 10.500 6.272 -3.863 29 HD21 ASN 5 1HD2 ASN 5 10.783 7.708 -6.443 30 HD22 ASN 5 2HD2 ASN 5 10.564 6.498 -7.657 31 H CYS 6 H CYS 6 7.935 5.687 -1.359 32 HA CYS 6 HA CYS 6 6.491 7.878 -0.492 33 HB2 CYS 6 2HB CYS 6 7.969 5.695 0.750 34 HB3 CYS 6 3HB CYS 6 8.011 7.163 1.721 35 H ARG 7 H ARG 7 9.904 7.577 -1.061 36 HA ARG 7 HA ARG 7 10.890 9.679 0.479 37 HB2 ARG 7 2HB ARG 7 11.871 7.957 -1.543 38 HB3 ARG 7 3HB ARG 7 12.256 9.599 -2.042 39 HG2 ARG 7 2HG ARG 7 13.446 10.006 -0.002 40 HG3 ARG 7 3HG ARG 7 12.929 8.453 0.657 41 HD2 ARG 7 2HD ARG 7 14.704 7.476 -0.248 42 HD3 ARG 7 3HD ARG 7 14.161 7.970 -1.851 43 HE ARG 7 HE ARG 7 16.231 9.196 -0.258 44 HH11 ARG 7 1HH1 ARG 7 14.002 9.582 -2.904 45 HH12 ARG 7 2HH1 ARG 7 14.916 10.844 -3.661 46 HH21 ARG 7 1HH2 ARG 7 17.444 10.857 -1.245 47 HH22 ARG 7 2HH2 ARG 7 16.874 11.568 -2.717 48 H LYS 8 H LYS 8 10.192 9.810 -3.020 49 HA LYS 8 HA LYS 8 10.243 12.655 -3.087 50 HB2 LYS 8 2HB LYS 8 10.549 10.819 -4.986 51 HB3 LYS 8 3HB LYS 8 8.827 11.103 -5.202 52 HG2 LYS 8 2HG LYS 8 9.590 13.624 -5.213 53 HG3 LYS 8 3HG LYS 8 11.130 12.912 -5.700 54 HD2 LYS 8 2HD LYS 8 9.416 11.577 -7.319 55 HD3 LYS 8 3HD LYS 8 8.591 13.130 -7.173 56 HE2 LYS 8 2HE LYS 8 10.152 14.209 -8.380 57 HE3 LYS 8 3HE LYS 8 11.481 13.321 -7.637 58 HZ1 LYS 8 3HZ LYS 8 9.700 12.266 -9.767 59 HZ2 LYS 8 1HZ LYS 8 11.017 11.456 -9.079 60 HZ3 LYS 8 2HZ LYS 8 11.271 12.847 -10.007 61 H TYR 9 H TYR 9 7.708 10.248 -2.775 62 HA TYR 9 HA TYR 9 5.487 11.881 -3.258 63 HB2 TYR 9 2HB TYR 9 5.110 9.547 -3.176 64 HB3 TYR 9 3HB TYR 9 5.862 9.399 -1.592 65 HD1 TYR 9 HD2 TYR 9 2.914 10.878 -3.317 66 HD2 TYR 9 HD1 TYR 9 4.549 9.442 0.339 67 HE1 TYR 9 HE2 TYR 9 0.704 11.077 -2.257 68 HE2 TYR 9 HE1 TYR 9 2.343 9.636 1.409 69 HH TYR 9 HH TYR 9 -0.521 10.558 -0.442 70 H CYS 10 H CYS 10 7.264 11.214 -0.269 71 HA CYS 10 HA CYS 10 5.556 12.971 1.274 72 HB2 CYS 10 2HB CYS 10 6.941 10.782 1.980 73 HB3 CYS 10 3HB CYS 10 8.137 12.009 2.387 74 H GLN 11 H GLN 11 8.787 13.005 -0.123 75 HA GLN 11 HA GLN 11 9.853 15.250 1.086 76 HB2 GLN 11 2HB GLN 11 10.244 13.904 -1.534 77 HB3 GLN 11 3HB GLN 11 10.897 15.528 -1.362 78 HG2 GLN 11 2HG GLN 11 12.362 14.890 0.333 79 HG3 GLN 11 3HG GLN 11 11.479 13.400 0.661 80 HE21 GLN 11 1HE2 GLN 11 13.440 12.249 0.470 81 HE22 GLN 11 2HE2 GLN 11 14.118 11.891 -1.078 82 H ASP 12 H ASP 12 7.493 15.024 -1.494 83 HA ASP 12 HA ASP 12 7.568 17.734 -2.300 84 HB2 ASP 12 2HB ASP 12 6.425 15.584 -3.365 85 HB3 ASP 12 3HB ASP 12 5.026 16.186 -2.480 86 H LYS 13 H LYS 13 5.386 15.986 -0.098 87 HA LYS 13 HA LYS 13 3.970 18.341 0.678 88 HB2 LYS 13 2HB LYS 13 3.012 16.864 2.451 89 HB3 LYS 13 3HB LYS 13 2.843 16.225 0.821 90 HG2 LYS 13 2HG LYS 13 4.806 14.782 1.222 91 HG3 LYS 13 3HG LYS 13 4.866 15.375 2.883 92 HD2 LYS 13 2HD LYS 13 2.216 14.449 2.152 93 HD3 LYS 13 3HD LYS 13 3.434 13.187 1.958 94 HE2 LYS 13 2HE LYS 13 3.570 12.901 4.159 95 HE3 LYS 13 3HE LYS 13 3.859 14.622 4.414 96 HZ1 LYS 13 3HZ LYS 13 1.186 13.367 4.092 97 HZ2 LYS 13 1HZ LYS 13 1.487 15.004 4.393 98 HZ3 LYS 13 2HZ LYS 13 1.869 13.845 5.564 99 H GLY 14 H GLY 14 7.029 17.227 1.411 100 HA2 GLY 14 2HA GLY 14 8.393 18.757 2.760 101 HA3 GLY 14 3HA GLY 14 7.059 18.816 3.902 102 H ALA 15 H ALA 15 9.870 17.118 2.880 103 HA ALA 15 HA ALA 15 10.219 15.801 5.321 104 HB1 ALA 15 1HB ALA 15 9.303 13.763 5.133 105 HB2 ALA 15 2HB ALA 15 8.272 14.521 3.918 106 HB3 ALA 15 3HB ALA 15 9.709 13.628 3.422 107 H ARG 16 H ARG 16 12.271 15.025 5.498 108 HA ARG 16 HA ARG 16 14.104 15.626 3.402 109 HB2 ARG 16 2HB ARG 16 14.234 14.821 6.200 110 HB3 ARG 16 3HB ARG 16 15.485 14.060 5.227 111 HG2 ARG 16 2HG ARG 16 16.649 15.922 5.598 112 HG3 ARG 16 3HG ARG 16 15.602 16.654 4.380 113 HD2 ARG 16 2HD ARG 16 15.400 18.137 6.137 114 HD3 ARG 16 3HD ARG 16 14.011 17.082 6.390 115 HE ARG 16 HE ARG 16 16.232 16.095 7.818 116 HH11 ARG 16 1HH1 ARG 16 13.918 18.696 7.856 117 HH12 ARG 16 2HH1 ARG 16 13.989 18.908 9.574 118 HH21 ARG 16 1HH2 ARG 16 16.334 16.364 10.080 119 HH22 ARG 16 2HH2 ARG 16 15.364 17.582 10.838 120 H ASN 17 H ASN 17 12.672 12.668 4.662 121 HA ASN 17 HA ASN 17 13.412 11.272 2.236 122 HB2 ASN 17 2HB ASN 17 15.254 11.043 4.122 123 HB3 ASN 17 3HB ASN 17 14.129 9.851 4.765 124 HD21 ASN 17 1HD2 ASN 17 13.928 7.905 3.784 125 HD22 ASN 17 2HD2 ASN 17 14.880 7.405 2.432 126 H GLY 18 H GLY 18 12.625 8.836 2.535 127 HA2 GLY 18 2HA GLY 18 10.531 8.235 4.291 128 HA3 GLY 18 3HA GLY 18 9.826 8.966 2.856 129 H LYS 19 H LYS 19 9.253 6.357 3.646 130 HA LYS 19 HA LYS 19 9.890 4.946 1.244 131 HB2 LYS 19 2HB LYS 19 10.738 2.972 2.914 132 HB3 LYS 19 3HB LYS 19 11.807 4.028 2.001 133 HG2 LYS 19 2HG LYS 19 12.344 5.305 3.846 134 HG3 LYS 19 3HG LYS 19 10.883 4.839 4.722 135 HD2 LYS 19 2HD LYS 19 11.749 2.733 5.271 136 HD3 LYS 19 3HD LYS 19 13.006 2.829 4.035 137 HE2 LYS 19 2HE LYS 19 13.488 5.023 5.652 138 HE3 LYS 19 3HE LYS 19 13.021 3.758 6.788 139 HZ1 LYS 19 3HZ LYS 19 15.495 4.086 5.778 140 HZ2 LYS 19 1HZ LYS 19 14.872 2.890 4.757 141 HZ3 LYS 19 2HZ LYS 19 14.906 2.641 6.429 142 H CYS 20 H CYS 20 9.118 2.502 1.599 143 HA CYS 20 HA CYS 20 6.394 2.746 2.598 144 HB2 CYS 20 2HB CYS 20 7.823 0.906 0.738 145 HB3 CYS 20 3HB CYS 20 6.402 0.288 1.573 146 H ILE 21 H ILE 21 5.470 1.374 4.124 147 HA ILE 21 HA ILE 21 7.309 -0.357 5.626 148 HB ILE 21 HB ILE 21 6.974 1.899 6.744 149 HG12 ILE 21 2HG1 ILE 21 5.897 -0.093 8.641 150 HG13 ILE 21 3HG1 ILE 21 7.353 -0.583 7.781 151 HG21 ILE 21 1HG2 ILE 21 4.342 0.913 7.708 152 HG22 ILE 21 2HG2 ILE 21 4.952 2.561 7.571 153 HG23 ILE 21 3HG2 ILE 21 4.414 1.698 6.131 154 HD11 ILE 21 3HD1 ILE 21 8.561 1.290 8.623 155 HD12 ILE 21 1HD1 ILE 21 7.097 1.990 9.313 156 HD13 ILE 21 2HD1 ILE 21 7.760 0.497 9.979 157 H ASN 22 H ASN 22 6.209 -1.940 6.995 158 HA ASN 22 HA ASN 22 4.439 -3.548 5.742 159 HB2 ASN 22 2HB ASN 22 3.655 -4.147 8.189 160 HB3 ASN 22 3HB ASN 22 5.295 -4.509 7.657 161 HD21 ASN 22 1HD2 ASN 22 7.006 -3.333 8.471 162 HD22 ASN 22 2HD2 ASN 22 6.852 -2.297 9.845 163 H SER 23 H SER 23 3.409 -1.280 8.300 164 HA SER 23 HA SER 23 0.688 -1.557 8.033 165 HB2 SER 23 2HB SER 23 2.291 0.912 8.725 166 HB3 SER 23 3HB SER 23 0.541 0.801 8.905 167 HG SER 23 HG SER 23 0.779 -0.656 10.499 168 H ASN 24 H ASN 24 2.855 0.533 6.177 169 HA ASN 24 HA ASN 24 1.469 0.433 3.802 170 HB2 ASN 24 2HB ASN 24 0.220 2.219 5.730 171 HB3 ASN 24 3HB ASN 24 0.686 3.066 4.259 172 HD21 ASN 24 1HD2 ASN 24 0.199 1.567 2.238 173 HD22 ASN 24 2HD2 ASN 24 -1.427 0.987 2.187 174 H CYS 25 H CYS 25 2.447 3.438 5.415 175 HA CYS 25 HA CYS 25 5.010 3.415 4.043 176 HB2 CYS 25 2HB CYS 25 2.868 4.661 2.818 177 HB3 CYS 25 3HB CYS 25 3.667 5.983 3.662 178 H HIS 26 H HIS 26 6.332 5.363 4.661 179 HA HIS 26 HA HIS 26 5.582 6.861 6.976 180 HB2 HIS 26 2HB HIS 26 7.177 5.925 8.550 181 HB3 HIS 26 3HB HIS 26 6.073 4.662 8.012 182 HD1 HIS 26 HD1 HIS 26 7.562 4.054 5.299 183 HD2 HIS 26 HD2 HIS 26 9.341 4.300 9.046 184 HE1 HIS 26 HE1 HIS 26 9.680 2.710 5.127 185 H CYS 27 H CYS 27 6.648 8.731 6.928 186 HA CYS 27 HA CYS 27 8.894 9.008 5.094 187 HB2 CYS 27 2HB CYS 27 7.534 11.203 6.657 188 HB3 CYS 27 3HB CYS 27 8.517 11.362 5.204 189 H TYR 28 H TYR 28 10.456 10.905 5.984 190 HA TYR 28 HA TYR 28 11.208 10.379 8.752 191 HB2 TYR 28 2HB TYR 28 12.950 9.774 6.367 192 HB3 TYR 28 3HB TYR 28 13.626 10.072 7.965 193 HD1 TYR 28 HD1 TYR 28 11.356 7.839 6.065 194 HD2 TYR 28 HD2 TYR 28 13.664 8.372 9.599 195 HE1 TYR 28 HE1 TYR 28 10.996 5.477 6.649 196 HE2 TYR 28 HE2 TYR 28 13.311 6.012 10.193 197 HH TYR 28 HH TYR 28 12.649 3.980 9.350 198 H TYR 29 H TYR 29 11.625 12.249 9.704 199 HA TYR 29 HA TYR 29 12.387 14.544 8.035 200 HB2 TYR 29 2HB TYR 29 11.382 14.671 10.875 201 HB3 TYR 29 3HB TYR 29 11.427 15.962 9.679 202 HD1 TYR 29 HD1 TYR 29 10.264 14.555 7.331 203 HD2 TYR 29 HD2 TYR 29 9.113 14.530 11.427 204 HE1 TYR 29 HE1 TYR 29 7.953 14.029 6.672 205 HE2 TYR 29 HE2 TYR 29 6.800 14.002 10.779 206 HH TYR 29 HH TYR 29 5.515 14.484 7.994 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.264 -0.566 1.286 2 HA ALA 1 HA ALA 1 3.418 -0.655 -0.674 3 HB1 ALA 1 1HB ALA 1 1.172 0.278 -2.344 4 HB2 ALA 1 2HB ALA 1 2.216 -1.133 -2.524 5 HB3 ALA 1 3HB ALA 1 0.875 -1.169 -1.379 6 H CYS 2 H CYS 2 3.466 0.835 -2.942 7 HA CYS 2 HA CYS 2 3.522 3.643 -2.108 8 HB2 CYS 2 2HB CYS 2 5.856 2.337 -3.511 9 HB3 CYS 2 3HB CYS 2 5.771 3.976 -2.873 10 H VAL 3 H VAL 3 3.531 5.151 -3.853 11 HA VAL 3 HA VAL 3 2.619 3.984 -6.403 12 HB VAL 3 HB VAL 3 1.383 6.135 -6.743 13 HG11 VAL 3 1HG1 VAL 3 -0.371 4.968 -6.047 14 HG12 VAL 3 2HG1 VAL 3 0.712 3.900 -5.153 15 HG13 VAL 3 3HG1 VAL 3 0.029 5.324 -4.367 16 HG21 VAL 3 3HG2 VAL 3 0.902 7.462 -4.676 17 HG22 VAL 3 1HG2 VAL 3 2.196 6.571 -3.874 18 HG23 VAL 3 2HG2 VAL 3 2.560 7.597 -5.261 19 H GLU 4 H GLU 4 4.470 6.588 -4.896 20 HA GLU 4 HA GLU 4 6.086 6.776 -7.322 21 HB2 GLU 4 2HB GLU 4 6.001 9.203 -7.357 22 HB3 GLU 4 3HB GLU 4 4.378 8.544 -7.511 23 HG2 GLU 4 2HG GLU 4 4.073 8.936 -5.065 24 HG3 GLU 4 3HG GLU 4 5.623 9.775 -5.067 25 H ASN 5 H ASN 5 6.683 5.542 -4.867 26 HA ASN 5 HA ASN 5 8.403 5.371 -3.388 27 HB2 ASN 5 2HB ASN 5 9.659 7.862 -4.494 28 HB3 ASN 5 3HB ASN 5 10.436 6.406 -3.881 29 HD21 ASN 5 1HD2 ASN 5 10.383 8.010 -6.510 30 HD22 ASN 5 2HD2 ASN 5 10.237 6.780 -7.714 31 H CYS 6 H CYS 6 8.020 5.796 -1.326 32 HA CYS 6 HA CYS 6 6.601 7.944 -0.324 33 HB2 CYS 6 2HB CYS 6 8.140 5.741 0.766 34 HB3 CYS 6 3HB CYS 6 8.302 7.185 1.759 35 H ARG 7 H ARG 7 9.982 7.708 -1.091 36 HA ARG 7 HA ARG 7 11.011 9.807 0.430 37 HB2 ARG 7 2HB ARG 7 11.900 8.144 -1.709 38 HB3 ARG 7 3HB ARG 7 12.293 9.810 -2.113 39 HG2 ARG 7 2HG ARG 7 13.289 9.952 0.238 40 HG3 ARG 7 3HG ARG 7 13.199 8.189 0.237 41 HD2 ARG 7 2HD ARG 7 15.400 8.961 -0.479 42 HD3 ARG 7 3HD ARG 7 14.567 8.114 -1.782 43 HE ARG 7 HE ARG 7 13.984 10.777 -2.139 44 HH11 ARG 7 1HH1 ARG 7 16.862 8.824 -1.996 45 HH12 ARG 7 2HH1 ARG 7 17.765 9.844 -3.065 46 HH21 ARG 7 1HH2 ARG 7 15.163 12.129 -3.548 47 HH22 ARG 7 2HH2 ARG 7 16.798 11.724 -3.947 48 H LYS 8 H LYS 8 10.379 10.031 -3.069 49 HA LYS 8 HA LYS 8 10.268 12.863 -3.039 50 HB2 LYS 8 2HB LYS 8 10.593 11.008 -4.985 51 HB3 LYS 8 3HB LYS 8 8.910 11.444 -5.249 52 HG2 LYS 8 2HG LYS 8 9.692 13.857 -5.275 53 HG3 LYS 8 3HG LYS 8 11.331 13.212 -5.379 54 HD2 LYS 8 2HD LYS 8 9.661 11.885 -7.288 55 HD3 LYS 8 3HD LYS 8 9.493 13.632 -7.475 56 HE2 LYS 8 2HE LYS 8 11.956 13.818 -7.569 57 HE3 LYS 8 3HE LYS 8 12.069 12.061 -7.478 58 HZ1 LYS 8 3HZ LYS 8 10.934 11.869 -9.559 59 HZ2 LYS 8 1HZ LYS 8 12.221 12.948 -9.761 60 HZ3 LYS 8 2HZ LYS 8 10.641 13.533 -9.624 61 H TYR 9 H TYR 9 7.862 10.352 -2.723 62 HA TYR 9 HA TYR 9 5.555 11.846 -3.254 63 HB2 TYR 9 2HB TYR 9 5.304 9.500 -3.113 64 HB3 TYR 9 3HB TYR 9 6.063 9.432 -1.526 65 HD1 TYR 9 HD1 TYR 9 3.047 10.749 -3.272 66 HD2 TYR 9 HD2 TYR 9 4.742 9.410 0.393 67 HE1 TYR 9 HE1 TYR 9 0.828 10.852 -2.215 68 HE2 TYR 9 HE2 TYR 9 2.528 9.508 1.460 69 HH TYR 9 HH TYR 9 0.407 10.241 1.235 70 H CYS 10 H CYS 10 7.442 11.453 -0.301 71 HA CYS 10 HA CYS 10 5.612 13.158 1.191 72 HB2 CYS 10 2HB CYS 10 7.042 11.018 1.982 73 HB3 CYS 10 3HB CYS 10 8.181 12.295 2.396 74 H GLN 11 H GLN 11 8.896 13.200 -0.092 75 HA GLN 11 HA GLN 11 9.793 15.575 1.063 76 HB2 GLN 11 2HB GLN 11 10.470 14.187 -1.518 77 HB3 GLN 11 3HB GLN 11 11.240 15.702 -1.066 78 HG2 GLN 11 2HG GLN 11 12.449 14.755 0.608 79 HG3 GLN 11 3HG GLN 11 11.241 13.512 0.929 80 HE21 GLN 11 1HE2 GLN 11 13.681 12.610 0.933 81 HE22 GLN 11 2HE2 GLN 11 14.081 11.765 -0.519 82 H ASP 12 H ASP 12 7.500 15.038 -1.452 83 HA ASP 12 HA ASP 12 7.664 17.689 -2.564 84 HB2 ASP 12 2HB ASP 12 6.850 15.481 -3.700 85 HB3 ASP 12 3HB ASP 12 5.308 15.872 -2.944 86 H LYS 13 H LYS 13 6.102 16.214 0.097 87 HA LYS 13 HA LYS 13 4.310 18.535 0.389 88 HB2 LYS 13 2HB LYS 13 3.127 16.974 2.067 89 HB3 LYS 13 3HB LYS 13 2.912 16.664 0.349 90 HG2 LYS 13 2HG LYS 13 4.682 14.937 0.486 91 HG3 LYS 13 3HG LYS 13 4.752 15.201 2.230 92 HD2 LYS 13 2HD LYS 13 3.357 13.279 1.723 93 HD3 LYS 13 3HD LYS 13 2.378 14.581 2.401 94 HE2 LYS 13 2HE LYS 13 2.607 14.617 -0.523 95 HE3 LYS 13 3HE LYS 13 1.787 13.199 0.128 96 HZ1 LYS 13 3HZ LYS 13 0.005 14.403 0.645 97 HZ2 LYS 13 1HZ LYS 13 0.656 15.633 -0.317 98 HZ3 LYS 13 2HZ LYS 13 0.919 15.637 1.354 99 H GLY 14 H GLY 14 7.233 17.610 1.325 100 HA2 GLY 14 2HA GLY 14 8.377 18.941 2.990 101 HA3 GLY 14 3HA GLY 14 6.925 18.863 3.977 102 H ALA 15 H ALA 15 9.842 17.256 3.032 103 HA ALA 15 HA ALA 15 10.033 15.771 5.396 104 HB1 ALA 15 1HB ALA 15 9.643 13.754 3.297 105 HB2 ALA 15 2HB ALA 15 9.157 13.741 4.993 106 HB3 ALA 15 3HB ALA 15 8.180 14.599 3.801 107 H ARG 16 H ARG 16 12.075 15.009 5.659 108 HA ARG 16 HA ARG 16 14.027 15.718 3.697 109 HB2 ARG 16 2HB ARG 16 13.994 14.934 6.479 110 HB3 ARG 16 3HB ARG 16 15.256 14.074 5.608 111 HG2 ARG 16 2HG ARG 16 16.546 15.863 5.746 112 HG3 ARG 16 3HG ARG 16 15.374 16.772 4.789 113 HD2 ARG 16 2HD ARG 16 15.509 18.043 6.710 114 HD3 ARG 16 3HD ARG 16 14.117 17.016 7.051 115 HE ARG 16 HE ARG 16 16.533 15.850 7.997 116 HH11 ARG 16 1HH1 ARG 16 14.146 18.280 8.715 117 HH12 ARG 16 2HH1 ARG 16 14.419 18.230 10.425 118 HH21 ARG 16 1HH2 ARG 16 16.902 15.774 10.246 119 HH22 ARG 16 2HH2 ARG 16 15.988 16.805 11.295 120 H ASN 17 H ASN 17 12.638 12.686 4.854 121 HA ASN 17 HA ASN 17 13.525 11.369 2.422 122 HB2 ASN 17 2HB ASN 17 15.252 11.124 4.404 123 HB3 ASN 17 3HB ASN 17 14.106 9.912 4.969 124 HD21 ASN 17 1HD2 ASN 17 13.940 7.988 3.917 125 HD22 ASN 17 2HD2 ASN 17 14.990 7.510 2.631 126 H GLY 18 H GLY 18 12.725 8.961 2.523 127 HA2 GLY 18 2HA GLY 18 10.516 8.307 4.158 128 HA3 GLY 18 3HA GLY 18 9.936 9.005 2.653 129 H LYS 19 H LYS 19 9.589 6.296 3.679 130 HA LYS 19 HA LYS 19 10.355 4.888 1.278 131 HB2 LYS 19 2HB LYS 19 11.141 3.046 3.207 132 HB3 LYS 19 3HB LYS 19 12.197 3.938 2.120 133 HG2 LYS 19 2HG LYS 19 12.427 5.704 3.800 134 HG3 LYS 19 3HG LYS 19 11.383 4.790 4.892 135 HD2 LYS 19 2HD LYS 19 14.042 3.872 3.799 136 HD3 LYS 19 3HD LYS 19 13.742 4.456 5.437 137 HE2 LYS 19 2HE LYS 19 12.159 2.593 5.775 138 HE3 LYS 19 3HE LYS 19 12.548 1.996 4.163 139 HZ1 LYS 19 3HZ LYS 19 14.938 2.384 5.572 140 HZ2 LYS 19 1HZ LYS 19 14.276 0.933 5.008 141 HZ3 LYS 19 2HZ LYS 19 13.892 1.491 6.557 142 H CYS 20 H CYS 20 9.654 2.436 1.618 143 HA CYS 20 HA CYS 20 6.874 2.574 2.473 144 HB2 CYS 20 2HB CYS 20 8.445 0.919 0.606 145 HB3 CYS 20 3HB CYS 20 7.192 0.051 1.487 146 H ILE 21 H ILE 21 5.929 1.172 3.959 147 HA ILE 21 HA ILE 21 7.758 -0.472 5.568 148 HB ILE 21 HB ILE 21 7.322 1.743 6.678 149 HG12 ILE 21 2HG1 ILE 21 6.070 -0.295 8.437 150 HG13 ILE 21 3HG1 ILE 21 7.645 -0.696 7.760 151 HG21 ILE 21 1HG2 ILE 21 5.257 2.482 7.201 152 HG22 ILE 21 2HG2 ILE 21 4.776 1.443 5.861 153 HG23 ILE 21 3HG2 ILE 21 4.641 0.861 7.520 154 HD11 ILE 21 3HD1 ILE 21 8.079 0.281 9.841 155 HD12 ILE 21 1HD1 ILE 21 8.431 1.539 8.657 156 HD13 ILE 21 2HD1 ILE 21 6.920 1.581 9.567 157 H ASN 22 H ASN 22 6.680 -2.117 6.852 158 HA ASN 22 HA ASN 22 5.021 -3.780 5.525 159 HB2 ASN 22 2HB ASN 22 5.342 -3.298 8.472 160 HB3 ASN 22 3HB ASN 22 4.200 -4.504 7.887 161 HD21 ASN 22 1HD2 ASN 22 7.209 -4.119 9.026 162 HD22 ASN 22 2HD2 ASN 22 7.994 -5.470 8.289 163 H SER 23 H SER 23 3.813 -1.568 8.054 164 HA SER 23 HA SER 23 1.116 -1.956 7.693 165 HB2 SER 23 2HB SER 23 2.795 0.049 8.937 166 HB3 SER 23 3HB SER 23 1.365 0.789 8.217 167 HG SER 23 HG SER 23 1.139 -1.530 9.801 168 H ASN 24 H ASN 24 3.254 0.246 5.931 169 HA ASN 24 HA ASN 24 1.955 0.098 3.505 170 HB2 ASN 24 2HB ASN 24 0.577 1.828 5.399 171 HB3 ASN 24 3HB ASN 24 1.053 2.693 3.941 172 HD21 ASN 24 1HD2 ASN 24 0.640 1.289 1.890 173 HD22 ASN 24 2HD2 ASN 24 -0.942 0.601 1.799 174 H CYS 25 H CYS 25 2.744 3.143 5.143 175 HA CYS 25 HA CYS 25 5.360 3.223 3.878 176 HB2 CYS 25 2HB CYS 25 3.240 4.349 2.534 177 HB3 CYS 25 3HB CYS 25 3.888 5.720 3.429 178 H HIS 26 H HIS 26 6.610 5.159 4.572 179 HA HIS 26 HA HIS 26 5.682 6.638 6.853 180 HB2 HIS 26 2HB HIS 26 7.291 5.790 8.461 181 HB3 HIS 26 3HB HIS 26 6.285 4.464 7.885 182 HD1 HIS 26 HD1 HIS 26 7.823 3.866 5.248 183 HD2 HIS 26 HD2 HIS 26 9.600 4.414 8.963 184 HE1 HIS 26 HE1 HIS 26 10.042 2.690 5.112 185 H CYS 27 H CYS 27 6.653 8.564 6.884 186 HA CYS 27 HA CYS 27 8.937 8.984 5.113 187 HB2 CYS 27 2HB CYS 27 7.372 11.105 6.581 188 HB3 CYS 27 3HB CYS 27 8.387 11.300 5.156 189 H TYR 28 H TYR 28 10.351 10.959 6.028 190 HA TYR 28 HA TYR 28 10.998 10.523 8.842 191 HB2 TYR 28 2HB TYR 28 12.896 10.050 6.546 192 HB3 TYR 28 3HB TYR 28 13.459 10.374 8.182 193 HD1 TYR 28 HD1 TYR 28 11.420 8.023 6.158 194 HD2 TYR 28 HD2 TYR 28 13.558 8.653 9.783 195 HE1 TYR 28 HE1 TYR 28 11.189 5.636 6.702 196 HE2 TYR 28 HE2 TYR 28 13.333 6.267 10.336 197 HH TYR 28 HH TYR 28 12.861 4.197 9.405 198 H TYR 29 H TYR 29 11.184 12.436 9.781 199 HA TYR 29 HA TYR 29 11.805 14.778 8.134 200 HB2 TYR 29 2HB TYR 29 10.833 14.791 10.990 201 HB3 TYR 29 3HB TYR 29 10.776 16.106 9.821 202 HD1 TYR 29 HD2 TYR 29 9.684 14.698 7.453 203 HD2 TYR 29 HD1 TYR 29 8.593 14.448 11.558 204 HE1 TYR 29 HE2 TYR 29 7.409 14.025 6.802 205 HE2 TYR 29 HE1 TYR 29 6.316 13.773 10.918 206 HH TYR 29 HH TYR 29 5.167 14.000 7.704 Start of MODEL 11 1 H1 ALA 1 H ALA 1 -0.145 -0.087 -2.671 2 HA ALA 1 HA ALA 1 1.948 0.346 -0.716 3 HB1 ALA 1 1HB ALA 1 2.431 -0.499 -3.548 4 HB2 ALA 1 2HB ALA 1 3.334 -0.912 -2.089 5 HB3 ALA 1 3HB ALA 1 1.746 -1.624 -2.374 6 H CYS 2 H CYS 2 4.106 1.085 -2.186 7 HA CYS 2 HA CYS 2 3.893 3.878 -2.278 8 HB2 CYS 2 2HB CYS 2 5.992 2.192 -3.653 9 HB3 CYS 2 3HB CYS 2 6.147 3.872 -3.149 10 H VAL 3 H VAL 3 3.151 5.220 -3.780 11 HA VAL 3 HA VAL 3 2.473 4.144 -6.416 12 HB VAL 3 HB VAL 3 1.114 6.165 -6.704 13 HG11 VAL 3 1HG1 VAL 3 0.579 4.023 -5.077 14 HG12 VAL 3 2HG1 VAL 3 0.175 5.400 -4.049 15 HG13 VAL 3 3HG1 VAL 3 -0.598 5.216 -5.624 16 HG21 VAL 3 3HG2 VAL 3 0.886 7.345 -4.254 17 HG22 VAL 3 1HG2 VAL 3 2.616 7.010 -4.337 18 HG23 VAL 3 2HG2 VAL 3 1.843 7.975 -5.594 19 H GLU 4 H GLU 4 4.445 6.593 -4.863 20 HA GLU 4 HA GLU 4 5.967 6.905 -7.320 21 HB2 GLU 4 2HB GLU 4 5.851 9.331 -7.320 22 HB3 GLU 4 3HB GLU 4 4.235 8.654 -7.464 23 HG2 GLU 4 2HG GLU 4 3.961 9.006 -5.005 24 HG3 GLU 4 3HG GLU 4 5.495 9.874 -5.023 25 H ASN 5 H ASN 5 6.614 5.643 -4.897 26 HA ASN 5 HA ASN 5 8.355 5.473 -3.441 27 HB2 ASN 5 2HB ASN 5 9.563 8.000 -4.518 28 HB3 ASN 5 3HB ASN 5 10.367 6.542 -3.945 29 HD21 ASN 5 1HD2 ASN 5 10.320 8.178 -6.528 30 HD22 ASN 5 2HD2 ASN 5 10.148 6.978 -7.760 31 H CYS 6 H CYS 6 7.975 5.856 -1.370 32 HA CYS 6 HA CYS 6 6.544 7.967 -0.315 33 HB2 CYS 6 2HB CYS 6 8.150 5.778 0.725 34 HB3 CYS 6 3HB CYS 6 8.260 7.209 1.745 35 H ARG 7 H ARG 7 9.925 7.787 -1.110 36 HA ARG 7 HA ARG 7 10.948 9.868 0.429 37 HB2 ARG 7 2HB ARG 7 11.808 8.285 -1.793 38 HB3 ARG 7 3HB ARG 7 12.194 9.969 -2.120 39 HG2 ARG 7 2HG ARG 7 13.143 9.917 0.315 40 HG3 ARG 7 3HG ARG 7 13.202 8.176 0.032 41 HD2 ARG 7 2HD ARG 7 14.283 9.917 -2.103 42 HD3 ARG 7 3HD ARG 7 15.207 9.834 -0.603 43 HE ARG 7 HE ARG 7 14.517 7.235 -1.484 44 HH11 ARG 7 1HH1 ARG 7 16.654 9.891 -2.190 45 HH12 ARG 7 2HH1 ARG 7 17.880 8.888 -2.892 46 HH21 ARG 7 1HH2 ARG 7 16.124 5.904 -2.405 47 HH22 ARG 7 2HH2 ARG 7 17.577 6.621 -3.014 48 H LYS 8 H LYS 8 10.249 10.174 -3.051 49 HA LYS 8 HA LYS 8 10.110 12.998 -2.961 50 HB2 LYS 8 2HB LYS 8 10.393 11.201 -4.954 51 HB3 LYS 8 3HB LYS 8 8.688 11.587 -5.144 52 HG2 LYS 8 2HG LYS 8 9.147 13.544 -6.084 53 HG3 LYS 8 3HG LYS 8 10.289 13.972 -4.808 54 HD2 LYS 8 2HD LYS 8 11.104 11.958 -6.848 55 HD3 LYS 8 3HD LYS 8 11.084 13.664 -7.300 56 HE2 LYS 8 2HE LYS 8 12.449 14.045 -5.165 57 HE3 LYS 8 3HE LYS 8 12.705 12.301 -5.171 58 HZ1 LYS 8 3HZ LYS 8 14.446 13.733 -6.299 59 HZ2 LYS 8 1HZ LYS 8 13.315 13.971 -7.534 60 HZ3 LYS 8 2HZ LYS 8 13.864 12.411 -7.179 61 H TYR 9 H TYR 9 7.711 10.465 -2.663 62 HA TYR 9 HA TYR 9 5.390 11.969 -3.064 63 HB2 TYR 9 2HB TYR 9 5.131 9.626 -2.981 64 HB3 TYR 9 3HB TYR 9 5.966 9.502 -1.437 65 HD1 TYR 9 HD2 TYR 9 2.874 10.898 -2.979 66 HD2 TYR 9 HD1 TYR 9 4.736 9.389 0.536 67 HE1 TYR 9 HE2 TYR 9 0.710 10.964 -1.812 68 HE2 TYR 9 HE1 TYR 9 2.577 9.449 1.713 69 HH TYR 9 HH TYR 9 0.441 10.073 1.611 70 H CYS 10 H CYS 10 7.384 11.514 -0.193 71 HA CYS 10 HA CYS 10 5.593 13.148 1.418 72 HB2 CYS 10 2HB CYS 10 7.086 11.018 2.095 73 HB3 CYS 10 3HB CYS 10 8.233 12.298 2.478 74 H GLN 11 H GLN 11 8.801 13.299 -0.029 75 HA GLN 11 HA GLN 11 9.719 15.650 1.155 76 HB2 GLN 11 2HB GLN 11 10.267 14.385 -1.520 77 HB3 GLN 11 3HB GLN 11 11.050 15.881 -1.030 78 HG2 GLN 11 2HG GLN 11 12.321 14.860 0.571 79 HG3 GLN 11 3HG GLN 11 11.166 13.549 0.808 80 HE21 GLN 11 1HE2 GLN 11 13.073 12.193 0.703 81 HE22 GLN 11 2HE2 GLN 11 13.681 11.707 -0.839 82 H ASP 12 H ASP 12 7.298 15.154 -1.247 83 HA ASP 12 HA ASP 12 7.347 17.847 -2.267 84 HB2 ASP 12 2HB ASP 12 6.537 15.714 -3.482 85 HB3 ASP 12 3HB ASP 12 5.046 15.933 -2.570 86 H LYS 13 H LYS 13 5.954 16.237 0.414 87 HA LYS 13 HA LYS 13 4.149 18.515 0.896 88 HB2 LYS 13 2HB LYS 13 3.088 16.861 2.575 89 HB3 LYS 13 3HB LYS 13 2.770 16.635 0.860 90 HG2 LYS 13 2HG LYS 13 4.554 14.924 0.795 91 HG3 LYS 13 3HG LYS 13 4.748 15.108 2.540 92 HD2 LYS 13 2HD LYS 13 3.338 13.192 2.041 93 HD3 LYS 13 3HD LYS 13 2.401 14.448 2.856 94 HE2 LYS 13 2HE LYS 13 2.301 14.851 0.021 95 HE3 LYS 13 3HE LYS 13 1.851 13.189 0.397 96 HZ1 LYS 13 3HZ LYS 13 0.672 15.408 1.929 97 HZ2 LYS 13 1HZ LYS 13 0.049 13.863 1.633 98 HZ3 LYS 13 2HZ LYS 13 0.055 15.022 0.402 99 H GLY 14 H GLY 14 7.131 17.632 1.628 100 HA2 GLY 14 2HA GLY 14 8.360 18.878 3.280 101 HA3 GLY 14 3HA GLY 14 6.955 18.787 4.332 102 H ALA 15 H ALA 15 9.814 17.185 3.217 103 HA ALA 15 HA ALA 15 10.097 15.640 5.534 104 HB1 ALA 15 1HB ALA 15 9.770 13.365 4.480 105 HB2 ALA 15 2HB ALA 15 8.301 14.269 4.849 106 HB3 ALA 15 3HB ALA 15 8.895 14.190 3.190 107 H ARG 16 H ARG 16 12.162 14.958 5.704 108 HA ARG 16 HA ARG 16 14.024 15.679 3.679 109 HB2 ARG 16 2HB ARG 16 14.105 14.788 6.433 110 HB3 ARG 16 3HB ARG 16 15.337 13.979 5.474 111 HG2 ARG 16 2HG ARG 16 16.529 15.804 6.061 112 HG3 ARG 16 3HG ARG 16 15.740 16.474 4.631 113 HD2 ARG 16 2HD ARG 16 13.917 16.882 6.686 114 HD3 ARG 16 3HD ARG 16 15.484 17.227 7.417 115 HE ARG 16 HE ARG 16 15.587 18.593 5.090 116 HH11 ARG 16 1HH1 ARG 16 13.256 18.462 7.673 117 HH12 ARG 16 2HH1 ARG 16 12.724 20.096 7.451 118 HH21 ARG 16 1HH2 ARG 16 14.895 20.745 4.789 119 HH22 ARG 16 2HH2 ARG 16 13.657 21.394 5.810 120 H ASN 17 H ASN 17 12.858 12.561 4.918 121 HA ASN 17 HA ASN 17 13.597 11.334 2.371 122 HB2 ASN 17 2HB ASN 17 15.409 11.016 4.203 123 HB3 ASN 17 3HB ASN 17 14.258 9.897 4.927 124 HD21 ASN 17 1HD2 ASN 17 13.974 7.915 4.050 125 HD22 ASN 17 2HD2 ASN 17 14.872 7.319 2.699 126 H GLY 18 H GLY 18 12.736 8.996 2.311 127 HA2 GLY 18 2HA GLY 18 10.556 8.306 4.012 128 HA3 GLY 18 3HA GLY 18 9.979 9.013 2.510 129 H LYS 19 H LYS 19 9.616 6.303 3.522 130 HA LYS 19 HA LYS 19 10.342 4.900 1.113 131 HB2 LYS 19 2HB LYS 19 11.207 3.045 2.972 132 HB3 LYS 19 3HB LYS 19 12.232 3.998 1.908 133 HG2 LYS 19 2HG LYS 19 12.468 5.697 3.640 134 HG3 LYS 19 3HG LYS 19 11.419 4.760 4.707 135 HD2 LYS 19 2HD LYS 19 13.970 3.660 3.546 136 HD3 LYS 19 3HD LYS 19 13.912 4.517 5.088 137 HE2 LYS 19 2HE LYS 19 12.658 2.854 6.108 138 HE3 LYS 19 3HE LYS 19 12.070 2.217 4.573 139 HZ1 LYS 19 3HZ LYS 19 14.581 1.690 4.220 140 HZ2 LYS 19 1HZ LYS 19 13.616 0.654 5.146 141 HZ3 LYS 19 2HZ LYS 19 14.643 1.760 5.909 142 H CYS 20 H CYS 20 9.663 2.448 1.452 143 HA CYS 20 HA CYS 20 6.917 2.562 2.425 144 HB2 CYS 20 2HB CYS 20 8.408 0.940 0.456 145 HB3 CYS 20 3HB CYS 20 7.164 0.078 1.355 146 H ILE 21 H ILE 21 6.039 1.080 3.889 147 HA ILE 21 HA ILE 21 7.954 -0.575 5.382 148 HB ILE 21 HB ILE 21 7.469 1.630 6.548 149 HG12 ILE 21 2HG1 ILE 21 6.482 -0.472 8.376 150 HG13 ILE 21 3HG1 ILE 21 7.980 -0.849 7.531 151 HG21 ILE 21 1HG2 ILE 21 4.884 0.465 7.438 152 HG22 ILE 21 2HG2 ILE 21 5.399 2.149 7.361 153 HG23 ILE 21 3HG2 ILE 21 4.936 1.300 5.886 154 HD11 ILE 21 3HD1 ILE 21 7.497 1.607 9.200 155 HD12 ILE 21 1HD1 ILE 21 8.368 0.165 9.722 156 HD13 ILE 21 2HD1 ILE 21 9.008 1.156 8.410 157 H ASN 22 H ASN 22 6.926 -2.251 6.696 158 HA ASN 22 HA ASN 22 5.275 -3.930 5.375 159 HB2 ASN 22 2HB ASN 22 4.487 -4.633 7.792 160 HB3 ASN 22 3HB ASN 22 6.155 -4.883 7.284 161 HD21 ASN 22 1HD2 ASN 22 4.051 -3.280 9.441 162 HD22 ASN 22 2HD2 ASN 22 5.253 -2.422 10.337 163 H SER 23 H SER 23 4.073 -1.779 7.959 164 HA SER 23 HA SER 23 1.377 -2.211 7.638 165 HB2 SER 23 2HB SER 23 2.988 -0.388 9.056 166 HB3 SER 23 3HB SER 23 1.832 0.593 8.153 167 HG SER 23 HG SER 23 0.173 -0.757 9.054 168 H ASN 24 H ASN 24 3.448 0.043 5.867 169 HA ASN 24 HA ASN 24 2.107 -0.084 3.466 170 HB2 ASN 24 2HB ASN 24 0.732 1.588 5.411 171 HB3 ASN 24 3HB ASN 24 1.171 2.491 3.964 172 HD21 ASN 24 1HD2 ASN 24 0.851 0.877 1.933 173 HD22 ASN 24 2HD2 ASN 24 -0.760 0.259 1.835 174 H CYS 25 H CYS 25 2.891 2.935 5.158 175 HA CYS 25 HA CYS 25 5.470 3.085 3.821 176 HB2 CYS 25 2HB CYS 25 3.280 4.243 2.599 177 HB3 CYS 25 3HB CYS 25 3.985 5.585 3.495 178 H HIS 26 H HIS 26 6.659 5.113 4.495 179 HA HIS 26 HA HIS 26 5.807 6.485 6.850 180 HB2 HIS 26 2HB HIS 26 7.456 5.606 8.404 181 HB3 HIS 26 3HB HIS 26 6.432 4.295 7.826 182 HD1 HIS 26 HD1 HIS 26 7.940 3.816 5.115 183 HD2 HIS 26 HD2 HIS 26 9.735 4.141 8.848 184 HE1 HIS 26 HE1 HIS 26 10.142 2.619 4.909 185 H CYS 27 H CYS 27 6.822 8.395 6.976 186 HA CYS 27 HA CYS 27 9.046 8.871 5.138 187 HB2 CYS 27 2HB CYS 27 7.509 10.937 6.715 188 HB3 CYS 27 3HB CYS 27 8.513 11.194 5.292 189 H TYR 28 H TYR 28 10.493 10.809 6.077 190 HA TYR 28 HA TYR 28 11.209 10.286 8.859 191 HB2 TYR 28 2HB TYR 28 13.046 9.864 6.505 192 HB3 TYR 28 3HB TYR 28 13.651 10.133 8.135 193 HD1 TYR 28 HD2 TYR 28 11.550 7.861 6.088 194 HD2 TYR 28 HD1 TYR 28 13.768 8.365 9.683 195 HE1 TYR 28 HE2 TYR 28 11.308 5.461 6.567 196 HE2 TYR 28 HE1 TYR 28 13.534 5.966 10.172 197 HH TYR 28 HH TYR 28 11.868 4.111 9.531 198 H TYR 29 H TYR 29 11.366 12.186 9.826 199 HA TYR 29 HA TYR 29 11.992 14.561 8.235 200 HB2 TYR 29 2HB TYR 29 11.082 14.507 11.110 201 HB3 TYR 29 3HB TYR 29 11.006 15.850 9.976 202 HD1 TYR 29 HD1 TYR 29 9.855 14.507 7.598 203 HD2 TYR 29 HD2 TYR 29 8.853 14.162 11.719 204 HE1 TYR 29 HE1 TYR 29 7.564 13.860 6.981 205 HE2 TYR 29 HE2 TYR 29 6.560 13.513 11.113 206 HH TYR 29 HH TYR 29 5.093 13.264 9.457 Start of MODEL 12 1 H1 ALA 1 H ALA 1 -0.100 2.534 -0.420 2 HA ALA 1 HA ALA 1 1.938 0.472 -0.588 3 HB1 ALA 1 1HB ALA 1 0.916 0.598 -3.206 4 HB2 ALA 1 2HB ALA 1 0.910 -0.779 -2.103 5 HB3 ALA 1 3HB ALA 1 -0.461 0.329 -2.138 6 H CYS 2 H CYS 2 3.521 0.924 -2.317 7 HA CYS 2 HA CYS 2 4.066 3.758 -2.432 8 HB2 CYS 2 2HB CYS 2 5.664 1.530 -3.699 9 HB3 CYS 2 3HB CYS 2 6.221 3.146 -3.278 10 H VAL 3 H VAL 3 3.846 5.078 -4.141 11 HA VAL 3 HA VAL 3 3.024 3.877 -6.706 12 HB VAL 3 HB VAL 3 1.642 5.883 -7.110 13 HG11 VAL 3 1HG1 VAL 3 -0.116 5.354 -5.370 14 HG12 VAL 3 2HG1 VAL 3 0.475 3.986 -6.315 15 HG13 VAL 3 3HG1 VAL 3 1.049 4.234 -4.665 16 HG21 VAL 3 3HG2 VAL 3 2.219 7.687 -5.904 17 HG22 VAL 3 1HG2 VAL 3 1.154 7.003 -4.675 18 HG23 VAL 3 2HG2 VAL 3 2.893 6.718 -4.593 19 H GLU 4 H GLU 4 4.763 6.463 -5.080 20 HA GLU 4 HA GLU 4 6.432 6.788 -7.445 21 HB2 GLU 4 2HB GLU 4 6.245 9.213 -7.449 22 HB3 GLU 4 3HB GLU 4 4.665 8.484 -7.695 23 HG2 GLU 4 2HG GLU 4 4.199 8.830 -5.278 24 HG3 GLU 4 3HG GLU 4 5.723 9.709 -5.161 25 H ASN 5 H ASN 5 6.996 5.546 -4.996 26 HA ASN 5 HA ASN 5 8.660 5.432 -3.449 27 HB2 ASN 5 2HB ASN 5 9.840 8.001 -4.454 28 HB3 ASN 5 3HB ASN 5 10.659 6.564 -3.848 29 HD21 ASN 5 1HD2 ASN 5 10.959 8.112 -6.352 30 HD22 ASN 5 2HD2 ASN 5 10.786 6.955 -7.623 31 H CYS 6 H CYS 6 8.138 5.794 -1.405 32 HA CYS 6 HA CYS 6 6.586 7.847 -0.423 33 HB2 CYS 6 2HB CYS 6 8.250 5.737 0.707 34 HB3 CYS 6 3HB CYS 6 8.206 7.169 1.730 35 H ARG 7 H ARG 7 10.028 7.782 -0.988 36 HA ARG 7 HA ARG 7 10.860 9.924 0.577 37 HB2 ARG 7 2HB ARG 7 11.942 8.332 -1.521 38 HB3 ARG 7 3HB ARG 7 12.255 10.018 -1.909 39 HG2 ARG 7 2HG ARG 7 13.054 10.126 0.581 40 HG3 ARG 7 3HG ARG 7 13.237 8.383 0.374 41 HD2 ARG 7 2HD ARG 7 14.320 9.811 -1.885 42 HD3 ARG 7 3HD ARG 7 15.039 10.381 -0.379 43 HE ARG 7 HE ARG 7 15.187 7.702 -0.130 44 HH11 ARG 7 1HH1 ARG 7 16.119 9.897 -2.667 45 HH12 ARG 7 2HH1 ARG 7 17.430 8.908 -3.219 46 HH21 ARG 7 1HH2 ARG 7 16.911 6.392 -0.847 47 HH22 ARG 7 2HH2 ARG 7 17.879 6.914 -2.184 48 H LYS 8 H LYS 8 10.356 10.145 -2.945 49 HA LYS 8 HA LYS 8 10.130 12.963 -2.925 50 HB2 LYS 8 2HB LYS 8 10.601 11.177 -4.862 51 HB3 LYS 8 3HB LYS 8 8.879 11.413 -5.132 52 HG2 LYS 8 2HG LYS 8 9.167 13.459 -5.993 53 HG3 LYS 8 3HG LYS 8 10.406 13.892 -4.813 54 HD2 LYS 8 2HD LYS 8 11.721 12.031 -6.283 55 HD3 LYS 8 3HD LYS 8 10.673 12.747 -7.510 56 HE2 LYS 8 2HE LYS 8 11.742 14.866 -5.976 57 HE3 LYS 8 3HE LYS 8 13.077 13.783 -6.368 58 HZ1 LYS 8 3HZ LYS 8 12.349 15.668 -8.005 59 HZ2 LYS 8 1HZ LYS 8 11.208 14.522 -8.501 60 HZ3 LYS 8 2HZ LYS 8 12.859 14.165 -8.591 61 H TYR 9 H TYR 9 7.793 10.369 -2.685 62 HA TYR 9 HA TYR 9 5.455 11.809 -3.228 63 HB2 TYR 9 2HB TYR 9 5.241 9.465 -3.139 64 HB3 TYR 9 3HB TYR 9 6.014 9.366 -1.561 65 HD1 TYR 9 HD2 TYR 9 2.935 10.537 -3.278 66 HD2 TYR 9 HD1 TYR 9 4.728 9.375 0.401 67 HE1 TYR 9 HE2 TYR 9 0.724 10.555 -2.201 68 HE2 TYR 9 HE1 TYR 9 2.522 9.388 1.488 69 HH TYR 9 HH TYR 9 0.296 10.498 1.121 70 H CYS 10 H CYS 10 7.378 11.518 -0.307 71 HA CYS 10 HA CYS 10 5.445 13.086 1.218 72 HB2 CYS 10 2HB CYS 10 6.987 11.009 1.982 73 HB3 CYS 10 3HB CYS 10 8.048 12.342 2.424 74 H GLN 11 H GLN 11 8.649 13.336 -0.188 75 HA GLN 11 HA GLN 11 9.454 15.732 1.036 76 HB2 GLN 11 2HB GLN 11 10.195 14.438 -1.581 77 HB3 GLN 11 3HB GLN 11 10.918 15.951 -1.050 78 HG2 GLN 11 2HG GLN 11 12.118 14.960 0.615 79 HG3 GLN 11 3HG GLN 11 10.957 13.650 0.824 80 HE21 GLN 11 1HE2 GLN 11 13.251 12.646 0.869 81 HE22 GLN 11 2HE2 GLN 11 13.792 11.993 -0.637 82 H ASP 12 H ASP 12 7.193 15.090 -1.484 83 HA ASP 12 HA ASP 12 7.210 17.775 -2.545 84 HB2 ASP 12 2HB ASP 12 6.469 15.395 -3.605 85 HB3 ASP 12 3HB ASP 12 4.899 16.017 -3.105 86 H LYS 13 H LYS 13 5.871 16.257 0.144 87 HA LYS 13 HA LYS 13 3.857 18.393 0.418 88 HB2 LYS 13 2HB LYS 13 2.643 16.782 1.934 89 HB3 LYS 13 3HB LYS 13 2.661 16.345 0.230 90 HG2 LYS 13 2HG LYS 13 4.673 14.884 0.806 91 HG3 LYS 13 3HG LYS 13 4.204 15.124 2.491 92 HD2 LYS 13 2HD LYS 13 2.108 14.268 0.563 93 HD3 LYS 13 3HD LYS 13 3.309 13.076 1.065 94 HE2 LYS 13 2HE LYS 13 1.647 14.730 2.961 95 HE3 LYS 13 3HE LYS 13 1.245 13.089 2.458 96 HZ1 LYS 13 3HZ LYS 13 2.376 13.060 4.570 97 HZ2 LYS 13 1HZ LYS 13 3.685 13.923 3.933 98 HZ3 LYS 13 2HZ LYS 13 3.367 12.350 3.397 99 H GLY 14 H GLY 14 6.810 17.615 1.387 100 HA2 GLY 14 2HA GLY 14 7.845 18.948 3.116 101 HA3 GLY 14 3HA GLY 14 6.378 18.766 4.067 102 H ALA 15 H ALA 15 9.363 17.283 3.073 103 HA ALA 15 HA ALA 15 9.637 15.783 5.420 104 HB1 ALA 15 1HB ALA 15 7.800 14.573 3.823 105 HB2 ALA 15 2HB ALA 15 9.286 13.764 3.325 106 HB3 ALA 15 3HB ALA 15 8.796 13.743 5.019 107 H ARG 16 H ARG 16 11.697 15.030 5.634 108 HA ARG 16 HA ARG 16 13.603 15.840 3.664 109 HB2 ARG 16 2HB ARG 16 13.629 15.106 6.425 110 HB3 ARG 16 3HB ARG 16 14.818 14.126 5.578 111 HG2 ARG 16 2HG ARG 16 16.074 15.964 4.942 112 HG3 ARG 16 3HG ARG 16 14.726 17.083 5.159 113 HD2 ARG 16 2HD ARG 16 14.963 17.121 7.464 114 HD3 ARG 16 3HD ARG 16 15.824 15.582 7.500 115 HE ARG 16 HE ARG 16 17.783 16.720 7.203 116 HH11 ARG 16 1HH1 ARG 16 15.127 18.794 6.325 117 HH12 ARG 16 2HH1 ARG 16 16.122 20.197 6.116 118 HH21 ARG 16 1HH2 ARG 16 19.102 18.561 6.931 119 HH22 ARG 16 2HH2 ARG 16 18.383 20.063 6.460 120 H ASN 17 H ASN 17 12.546 12.691 4.934 121 HA ASN 17 HA ASN 17 13.379 11.466 2.409 122 HB2 ASN 17 2HB ASN 17 15.097 11.219 4.376 123 HB3 ASN 17 3HB ASN 17 13.958 10.012 4.965 124 HD21 ASN 17 1HD2 ASN 17 13.760 8.081 3.911 125 HD22 ASN 17 2HD2 ASN 17 14.817 7.583 2.639 126 H GLY 18 H GLY 18 12.571 9.116 2.325 127 HA2 GLY 18 2HA GLY 18 10.334 8.403 3.952 128 HA3 GLY 18 3HA GLY 18 9.818 9.055 2.403 129 H LYS 19 H LYS 19 9.574 6.337 3.565 130 HA LYS 19 HA LYS 19 10.417 4.894 1.203 131 HB2 LYS 19 2HB LYS 19 11.232 3.153 3.226 132 HB3 LYS 19 3HB LYS 19 12.267 4.015 2.096 133 HG2 LYS 19 2HG LYS 19 12.426 5.880 3.684 134 HG3 LYS 19 3HG LYS 19 11.425 4.976 4.823 135 HD2 LYS 19 2HD LYS 19 14.019 3.918 3.718 136 HD3 LYS 19 3HD LYS 19 13.921 4.861 5.208 137 HE2 LYS 19 2HE LYS 19 12.789 3.199 6.339 138 HE3 LYS 19 3HE LYS 19 12.161 2.475 4.860 139 HZ1 LYS 19 3HZ LYS 19 14.623 1.955 6.252 140 HZ2 LYS 19 1HZ LYS 19 14.833 2.180 4.589 141 HZ3 LYS 19 2HZ LYS 19 13.777 0.986 5.154 142 H CYS 20 H CYS 20 9.771 2.456 1.535 143 HA CYS 20 HA CYS 20 6.992 2.504 2.401 144 HB2 CYS 20 2HB CYS 20 8.602 0.915 0.514 145 HB3 CYS 20 3HB CYS 20 7.390 -0.005 1.401 146 H ILE 21 H ILE 21 6.102 1.098 3.905 147 HA ILE 21 HA ILE 21 7.984 -0.511 5.488 148 HB ILE 21 HB ILE 21 7.497 1.686 6.611 149 HG12 ILE 21 2HG1 ILE 21 6.307 -0.397 8.364 150 HG13 ILE 21 3HG1 ILE 21 7.893 -0.744 7.683 151 HG21 ILE 21 1HG2 ILE 21 4.845 0.735 7.467 152 HG22 ILE 21 2HG2 ILE 21 5.417 2.371 7.143 153 HG23 ILE 21 3HG2 ILE 21 4.952 1.319 5.806 154 HD11 ILE 21 3HD1 ILE 21 8.030 1.877 8.651 155 HD12 ILE 21 1HD1 ILE 21 7.188 0.939 9.885 156 HD13 ILE 21 2HD1 ILE 21 8.782 0.432 9.326 157 H ASN 22 H ASN 22 6.961 -2.191 6.773 158 HA ASN 22 HA ASN 22 5.340 -3.894 5.451 159 HB2 ASN 22 2HB ASN 22 6.475 -4.402 7.597 160 HB3 ASN 22 3HB ASN 22 5.247 -3.468 8.445 161 HD21 ASN 22 1HD2 ASN 22 6.129 -6.489 7.317 162 HD22 ASN 22 2HD2 ASN 22 4.616 -7.297 7.523 163 H SER 23 H SER 23 4.088 -1.726 7.997 164 HA SER 23 HA SER 23 1.400 -2.187 7.652 165 HB2 SER 23 2HB SER 23 3.031 -0.136 8.888 166 HB3 SER 23 3HB SER 23 1.570 0.559 8.187 167 HG SER 23 HG SER 23 0.586 -0.199 9.870 168 H ASN 24 H ASN 24 3.464 0.081 5.886 169 HA ASN 24 HA ASN 24 2.156 -0.093 3.467 170 HB2 ASN 24 2HB ASN 24 0.741 1.589 5.377 171 HB3 ASN 24 3HB ASN 24 1.182 2.473 3.920 172 HD21 ASN 24 1HD2 ASN 24 -1.387 1.330 5.086 173 HD22 ASN 24 2HD2 ASN 24 -2.103 0.494 3.755 174 H CYS 25 H CYS 25 2.866 2.966 5.113 175 HA CYS 25 HA CYS 25 5.472 3.127 3.835 176 HB2 CYS 25 2HB CYS 25 3.302 4.205 2.517 177 HB3 CYS 25 3HB CYS 25 3.946 5.587 3.398 178 H HIS 26 H HIS 26 6.679 5.080 4.537 179 HA HIS 26 HA HIS 26 5.712 6.514 6.838 180 HB2 HIS 26 2HB HIS 26 7.386 5.723 8.409 181 HB3 HIS 26 3HB HIS 26 6.427 4.361 7.838 182 HD1 HIS 26 HD1 HIS 26 7.916 3.798 5.190 183 HD2 HIS 26 HD2 HIS 26 9.783 4.495 8.835 184 HE1 HIS 26 HE1 HIS 26 10.186 2.732 4.997 185 H CYS 27 H CYS 27 6.668 8.459 6.981 186 HA CYS 27 HA CYS 27 8.901 8.994 5.159 187 HB2 CYS 27 2HB CYS 27 7.192 11.023 6.602 188 HB3 CYS 27 3HB CYS 27 8.249 11.296 5.221 189 H TYR 28 H TYR 28 10.270 10.974 6.039 190 HA TYR 28 HA TYR 28 10.900 10.597 8.872 191 HB2 TYR 28 2HB TYR 28 12.843 10.249 6.589 192 HB3 TYR 28 3HB TYR 28 13.361 10.551 8.244 193 HD1 TYR 28 HD2 TYR 28 11.390 8.183 6.160 194 HD2 TYR 28 HD1 TYR 28 13.586 8.780 9.755 195 HE1 TYR 28 HE2 TYR 28 11.254 5.774 6.636 196 HE2 TYR 28 HE1 TYR 28 13.457 6.372 10.241 197 HH TYR 28 HH TYR 28 12.457 4.428 9.666 198 H TYR 29 H TYR 29 10.905 12.529 9.788 199 HA TYR 29 HA TYR 29 11.431 14.897 8.156 200 HB2 TYR 29 2HB TYR 29 10.472 14.847 11.016 201 HB3 TYR 29 3HB TYR 29 10.346 16.165 9.856 202 HD1 TYR 29 HD2 TYR 29 9.316 14.728 7.482 203 HD2 TYR 29 HD1 TYR 29 8.259 14.378 11.588 204 HE1 TYR 29 HE2 TYR 29 7.076 13.945 6.833 205 HE2 TYR 29 HE1 TYR 29 6.017 13.593 10.951 206 HH TYR 29 HH TYR 29 4.922 12.518 9.024 Start of MODEL 13 1 H1 ALA 1 H ALA 1 -0.933 1.388 -0.602 2 HA ALA 1 HA ALA 1 1.730 0.628 -0.407 3 HB1 ALA 1 1HB ALA 1 0.121 0.620 -2.954 4 HB2 ALA 1 2HB ALA 1 1.461 -0.442 -2.521 5 HB3 ALA 1 3HB ALA 1 -0.074 -0.566 -1.663 6 H CYS 2 H CYS 2 3.496 0.998 -1.939 7 HA CYS 2 HA CYS 2 4.007 3.778 -2.270 8 HB2 CYS 2 2HB CYS 2 5.580 1.502 -3.481 9 HB3 CYS 2 3HB CYS 2 6.156 3.121 -3.099 10 H VAL 3 H VAL 3 3.712 5.066 -3.979 11 HA VAL 3 HA VAL 3 2.888 3.819 -6.521 12 HB VAL 3 HB VAL 3 1.637 5.957 -6.952 13 HG11 VAL 3 1HG1 VAL 3 0.521 3.895 -6.232 14 HG12 VAL 3 2HG1 VAL 3 0.748 4.368 -4.547 15 HG13 VAL 3 3HG1 VAL 3 -0.286 5.331 -5.604 16 HG21 VAL 3 3HG2 VAL 3 1.023 7.270 -4.907 17 HG22 VAL 3 1HG2 VAL 3 2.306 6.416 -4.051 18 HG23 VAL 3 2HG2 VAL 3 2.699 7.451 -5.424 19 H GLU 4 H GLU 4 4.599 6.530 -5.028 20 HA GLU 4 HA GLU 4 6.294 6.694 -7.409 21 HB2 GLU 4 2HB GLU 4 6.181 9.127 -7.448 22 HB3 GLU 4 3HB GLU 4 4.579 8.436 -7.666 23 HG2 GLU 4 2HG GLU 4 4.137 8.839 -5.259 24 HG3 GLU 4 3HG GLU 4 5.693 9.659 -5.154 25 H ASN 5 H ASN 5 6.882 5.475 -4.963 26 HA ASN 5 HA ASN 5 8.574 5.339 -3.449 27 HB2 ASN 5 2HB ASN 5 9.787 7.872 -4.505 28 HB3 ASN 5 3HB ASN 5 10.588 6.426 -3.897 29 HD21 ASN 5 1HD2 ASN 5 10.875 7.936 -6.424 30 HD22 ASN 5 2HD2 ASN 5 10.652 6.769 -7.678 31 H CYS 6 H CYS 6 8.102 5.733 -1.399 32 HA CYS 6 HA CYS 6 6.616 7.833 -0.409 33 HB2 CYS 6 2HB CYS 6 8.266 5.702 0.717 34 HB3 CYS 6 3HB CYS 6 8.231 7.141 1.731 35 H ARG 7 H ARG 7 10.041 7.677 -1.044 36 HA ARG 7 HA ARG 7 10.958 9.808 0.492 37 HB2 ARG 7 2HB ARG 7 11.964 8.167 -1.603 38 HB3 ARG 7 3HB ARG 7 12.306 9.840 -2.024 39 HG2 ARG 7 2HG ARG 7 13.257 10.070 0.324 40 HG3 ARG 7 3HG ARG 7 13.192 8.308 0.397 41 HD2 ARG 7 2HD ARG 7 15.396 9.025 -0.299 42 HD3 ARG 7 3HD ARG 7 14.587 8.195 -1.627 43 HE ARG 7 HE ARG 7 14.013 10.775 -2.122 44 HH11 ARG 7 1HH1 ARG 7 16.995 9.126 -1.410 45 HH12 ARG 7 2HH1 ARG 7 17.972 10.221 -2.332 46 HH21 ARG 7 1HH2 ARG 7 15.288 12.223 -3.338 47 HH22 ARG 7 2HH2 ARG 7 17.000 11.983 -3.427 48 H LYS 8 H LYS 8 10.376 10.004 -3.020 49 HA LYS 8 HA LYS 8 10.225 12.832 -3.017 50 HB2 LYS 8 2HB LYS 8 10.628 11.014 -4.947 51 HB3 LYS 8 3HB LYS 8 8.913 11.309 -5.204 52 HG2 LYS 8 2HG LYS 8 9.343 13.681 -5.499 53 HG3 LYS 8 3HG LYS 8 11.060 13.422 -5.182 54 HD2 LYS 8 2HD LYS 8 10.430 11.607 -7.197 55 HD3 LYS 8 3HD LYS 8 9.561 13.081 -7.633 56 HE2 LYS 8 2HE LYS 8 11.681 14.345 -7.336 57 HE3 LYS 8 3HE LYS 8 12.510 12.814 -7.062 58 HZ1 LYS 8 3HZ LYS 8 11.187 13.740 -9.545 59 HZ2 LYS 8 1HZ LYS 8 11.645 12.129 -9.302 60 HZ3 LYS 8 2HZ LYS 8 12.817 13.349 -9.319 61 H TYR 9 H TYR 9 7.837 10.287 -2.737 62 HA TYR 9 HA TYR 9 5.523 11.767 -3.266 63 HB2 TYR 9 2HB TYR 9 5.273 9.425 -3.150 64 HB3 TYR 9 3HB TYR 9 6.050 9.334 -1.573 65 HD1 TYR 9 HD2 TYR 9 2.989 10.556 -3.291 66 HD2 TYR 9 HD1 TYR 9 4.768 9.373 0.388 67 HE1 TYR 9 HE2 TYR 9 0.782 10.628 -2.208 68 HE2 TYR 9 HE1 TYR 9 2.566 9.441 1.482 69 HH TYR 9 HH TYR 9 -0.111 9.216 0.242 70 H CYS 10 H CYS 10 7.456 11.447 -0.350 71 HA CYS 10 HA CYS 10 5.576 13.080 1.171 72 HB2 CYS 10 2HB CYS 10 7.066 10.972 1.945 73 HB3 CYS 10 3HB CYS 10 8.171 12.277 2.362 74 H GLN 11 H GLN 11 8.787 13.234 -0.241 75 HA GLN 11 HA GLN 11 9.638 15.634 0.952 76 HB2 GLN 11 2HB GLN 11 10.378 14.248 -1.615 77 HB3 GLN 11 3HB GLN 11 11.111 15.776 -1.148 78 HG2 GLN 11 2HG GLN 11 12.303 14.849 0.556 79 HG3 GLN 11 3HG GLN 11 11.126 13.565 0.828 80 HE21 GLN 11 1HE2 GLN 11 13.490 12.622 0.906 81 HE22 GLN 11 2HE2 GLN 11 13.989 11.857 -0.561 82 H ASP 12 H ASP 12 7.378 14.994 -1.566 83 HA ASP 12 HA ASP 12 7.469 17.657 -2.683 84 HB2 ASP 12 2HB ASP 12 6.730 15.318 -3.758 85 HB3 ASP 12 3HB ASP 12 5.152 15.868 -3.203 86 H LYS 13 H LYS 13 6.085 16.234 0.029 87 HA LYS 13 HA LYS 13 4.107 18.409 0.237 88 HB2 LYS 13 2HB LYS 13 2.864 16.855 1.793 89 HB3 LYS 13 3HB LYS 13 2.872 16.384 0.099 90 HG2 LYS 13 2HG LYS 13 4.852 14.894 0.697 91 HG3 LYS 13 3HG LYS 13 4.401 15.182 2.380 92 HD2 LYS 13 2HD LYS 13 2.272 14.327 0.489 93 HD3 LYS 13 3HD LYS 13 3.453 13.121 1.008 94 HE2 LYS 13 2HE LYS 13 1.844 14.852 2.880 95 HE3 LYS 13 3HE LYS 13 1.400 13.210 2.416 96 HZ1 LYS 13 3HZ LYS 13 2.550 13.208 4.521 97 HZ2 LYS 13 1HZ LYS 13 3.876 14.015 3.847 98 HZ3 LYS 13 2HZ LYS 13 3.507 12.439 3.356 99 H GLY 14 H GLY 14 7.039 17.562 1.258 100 HA2 GLY 14 2HA GLY 14 8.084 18.944 2.955 101 HA3 GLY 14 3HA GLY 14 6.613 18.796 3.904 102 H ALA 15 H ALA 15 9.578 17.250 2.933 103 HA ALA 15 HA ALA 15 9.842 15.802 5.314 104 HB1 ALA 15 1HB ALA 15 9.484 13.710 3.315 105 HB2 ALA 15 2HB ALA 15 8.913 13.797 4.982 106 HB3 ALA 15 3HB ALA 15 7.996 14.580 3.694 107 H ARG 16 H ARG 16 11.864 14.884 5.508 108 HA ARG 16 HA ARG 16 13.791 15.672 3.532 109 HB2 ARG 16 2HB ARG 16 13.842 14.584 6.277 110 HB3 ARG 16 3HB ARG 16 15.214 14.148 5.267 111 HG2 ARG 16 2HG ARG 16 16.088 16.198 5.374 112 HG3 ARG 16 3HG ARG 16 14.524 16.978 5.128 113 HD2 ARG 16 2HD ARG 16 14.060 17.064 7.372 114 HD3 ARG 16 3HD ARG 16 15.060 15.659 7.741 115 HE ARG 16 HE ARG 16 16.873 17.505 6.971 116 HH11 ARG 16 1HH1 ARG 16 14.262 17.553 9.274 117 HH12 ARG 16 2HH1 ARG 16 15.037 18.691 10.325 118 HH21 ARG 16 1HH2 ARG 16 17.903 19.004 8.347 119 HH22 ARG 16 2HH2 ARG 16 17.108 19.517 9.796 120 H ASN 17 H ASN 17 12.709 12.550 4.857 121 HA ASN 17 HA ASN 17 13.484 11.290 2.327 122 HB2 ASN 17 2HB ASN 17 15.181 11.014 4.323 123 HB3 ASN 17 3HB ASN 17 14.015 9.816 4.876 124 HD21 ASN 17 1HD2 ASN 17 13.769 7.917 3.755 125 HD22 ASN 17 2HD2 ASN 17 14.853 7.417 2.506 126 H GLY 18 H GLY 18 12.609 8.966 2.254 127 HA2 GLY 18 2HA GLY 18 10.345 8.337 3.885 128 HA3 GLY 18 3HA GLY 18 9.861 8.970 2.319 129 H LYS 19 H LYS 19 9.584 6.273 3.573 130 HA LYS 19 HA LYS 19 10.379 4.762 1.234 131 HB2 LYS 19 2HB LYS 19 11.165 3.063 3.315 132 HB3 LYS 19 3HB LYS 19 12.207 3.850 2.136 133 HG2 LYS 19 2HG LYS 19 12.428 5.777 3.648 134 HG3 LYS 19 3HG LYS 19 11.435 4.933 4.838 135 HD2 LYS 19 2HD LYS 19 13.988 3.793 3.721 136 HD3 LYS 19 3HD LYS 19 13.934 4.784 5.180 137 HE2 LYS 19 2HE LYS 19 12.808 3.178 6.389 138 HE3 LYS 19 3HE LYS 19 12.121 2.426 4.950 139 HZ1 LYS 19 3HZ LYS 19 13.915 1.127 4.668 140 HZ2 LYS 19 1HZ LYS 19 14.170 1.413 6.316 141 HZ3 LYS 19 2HZ LYS 19 15.011 2.317 5.160 142 H CYS 20 H CYS 20 9.684 2.348 1.617 143 HA CYS 20 HA CYS 20 6.913 2.469 2.501 144 HB2 CYS 20 2HB CYS 20 8.454 0.873 0.592 145 HB3 CYS 20 3HB CYS 20 7.331 -0.087 1.549 146 H ILE 21 H ILE 21 6.010 1.140 4.056 147 HA ILE 21 HA ILE 21 7.867 -0.491 5.650 148 HB ILE 21 HB ILE 21 7.452 1.739 6.731 149 HG12 ILE 21 2HG1 ILE 21 6.219 -0.277 8.534 150 HG13 ILE 21 3HG1 ILE 21 7.793 -0.674 7.853 151 HG21 ILE 21 1HG2 ILE 21 5.397 2.497 7.261 152 HG22 ILE 21 2HG2 ILE 21 4.890 1.426 5.956 153 HG23 ILE 21 3HG2 ILE 21 4.782 0.887 7.632 154 HD11 ILE 21 3HD1 ILE 21 8.460 0.362 9.751 155 HD12 ILE 21 1HD1 ILE 21 8.354 1.770 8.696 156 HD13 ILE 21 2HD1 ILE 21 7.041 1.406 9.817 157 H ASN 22 H ASN 22 6.817 -2.117 6.979 158 HA ASN 22 HA ASN 22 5.137 -3.805 5.712 159 HB2 ASN 22 2HB ASN 22 6.063 -3.491 8.402 160 HB3 ASN 22 3HB ASN 22 4.361 -3.943 8.442 161 HD21 ASN 22 1HD2 ASN 22 3.789 -5.779 6.938 162 HD22 ASN 22 2HD2 ASN 22 4.891 -7.109 6.892 163 H SER 23 H SER 23 3.970 -1.550 8.223 164 HA SER 23 HA SER 23 1.267 -1.949 7.916 165 HB2 SER 23 2HB SER 23 1.719 -0.583 9.713 166 HB3 SER 23 3HB SER 23 2.925 0.356 8.832 167 HG SER 23 HG SER 23 0.275 0.826 9.157 168 H ASN 24 H ASN 24 3.368 0.232 6.083 169 HA ASN 24 HA ASN 24 2.034 0.040 3.681 170 HB2 ASN 24 2HB ASN 24 0.675 1.791 5.569 171 HB3 ASN 24 3HB ASN 24 1.123 2.636 4.090 172 HD21 ASN 24 1HD2 ASN 24 0.709 1.147 2.075 173 HD22 ASN 24 2HD2 ASN 24 -0.879 0.469 2.017 174 H CYS 25 H CYS 25 2.830 3.114 5.259 175 HA CYS 25 HA CYS 25 5.426 3.189 3.952 176 HB2 CYS 25 2HB CYS 25 3.259 4.302 2.647 177 HB3 CYS 25 3HB CYS 25 3.968 5.679 3.484 178 H HIS 26 H HIS 26 6.692 5.113 4.612 179 HA HIS 26 HA HIS 26 5.781 6.609 6.900 180 HB2 HIS 26 2HB HIS 26 7.467 5.812 8.456 181 HB3 HIS 26 3HB HIS 26 6.474 4.460 7.922 182 HD1 HIS 26 HD1 HIS 26 7.897 3.802 5.271 183 HD2 HIS 26 HD2 HIS 26 9.861 4.575 8.850 184 HE1 HIS 26 HE1 HIS 26 10.146 2.699 5.055 185 H CYS 27 H CYS 27 6.797 8.530 7.035 186 HA CYS 27 HA CYS 27 9.012 8.997 5.168 187 HB2 CYS 27 2HB CYS 27 7.343 11.085 6.570 188 HB3 CYS 27 3HB CYS 27 8.393 11.306 5.174 189 H TYR 28 H TYR 28 10.443 10.939 5.979 190 HA TYR 28 HA TYR 28 11.073 10.624 8.824 191 HB2 TYR 28 2HB TYR 28 13.003 10.227 6.537 192 HB3 TYR 28 3HB TYR 28 13.525 10.529 8.190 193 HD1 TYR 28 HD2 TYR 28 11.476 8.189 6.144 194 HD2 TYR 28 HD1 TYR 28 13.771 8.753 9.681 195 HE1 TYR 28 HE2 TYR 28 11.306 5.784 6.630 196 HE2 TYR 28 HE1 TYR 28 13.609 6.349 10.177 197 HH TYR 28 HH TYR 28 13.225 4.176 8.641 198 H TYR 29 H TYR 29 11.103 12.572 9.705 199 HA TYR 29 HA TYR 29 11.656 14.904 8.028 200 HB2 TYR 29 2HB TYR 29 10.686 14.918 10.885 201 HB3 TYR 29 3HB TYR 29 10.580 16.216 9.700 202 HD1 TYR 29 HD2 TYR 29 9.535 14.768 7.348 203 HD2 TYR 29 HD1 TYR 29 8.471 14.468 11.457 204 HE1 TYR 29 HE2 TYR 29 7.289 14.001 6.704 205 HE2 TYR 29 HE1 TYR 29 6.222 13.699 10.824 206 HH TYR 29 HH TYR 29 5.130 12.599 8.887 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.577 1.428 0.054 2 HA ALA 1 HA ALA 1 1.905 0.693 -0.397 3 HB1 ALA 1 1HB ALA 1 1.356 0.122 -2.728 4 HB2 ALA 1 2HB ALA 1 0.058 -0.298 -1.610 5 HB3 ALA 1 3HB ALA 1 -0.081 1.139 -2.622 6 H CYS 2 H CYS 2 3.274 1.078 -2.502 7 HA CYS 2 HA CYS 2 3.989 3.914 -2.467 8 HB2 CYS 2 2HB CYS 2 5.540 1.645 -3.719 9 HB3 CYS 2 3HB CYS 2 6.131 3.251 -3.304 10 H VAL 3 H VAL 3 3.792 5.226 -4.185 11 HA VAL 3 HA VAL 3 2.963 4.023 -6.746 12 HB VAL 3 HB VAL 3 1.596 6.037 -7.162 13 HG11 VAL 3 1HG1 VAL 3 0.955 3.846 -5.669 14 HG12 VAL 3 2HG1 VAL 3 0.460 5.167 -4.608 15 HG13 VAL 3 3HG1 VAL 3 -0.196 5.053 -6.242 16 HG21 VAL 3 3HG2 VAL 3 2.181 7.839 -5.955 17 HG22 VAL 3 1HG2 VAL 3 1.102 7.166 -4.733 18 HG23 VAL 3 2HG2 VAL 3 2.837 6.867 -4.638 19 H GLU 4 H GLU 4 4.708 6.606 -5.121 20 HA GLU 4 HA GLU 4 6.382 6.918 -7.487 21 HB2 GLU 4 2HB GLU 4 6.223 9.347 -7.471 22 HB3 GLU 4 3HB GLU 4 4.636 8.634 -7.725 23 HG2 GLU 4 2HG GLU 4 4.165 8.968 -5.309 24 HG3 GLU 4 3HG GLU 4 5.700 9.825 -5.177 25 H ASN 5 H ASN 5 6.950 5.651 -5.058 26 HA ASN 5 HA ASN 5 8.619 5.510 -3.519 27 HB2 ASN 5 2HB ASN 5 9.810 8.084 -4.497 28 HB3 ASN 5 3HB ASN 5 10.623 6.635 -3.912 29 HD21 ASN 5 1HD2 ASN 5 10.918 8.215 -6.399 30 HD22 ASN 5 2HD2 ASN 5 10.734 7.074 -7.683 31 H CYS 6 H CYS 6 8.111 5.851 -1.468 32 HA CYS 6 HA CYS 6 6.571 7.897 -0.454 33 HB2 CYS 6 2HB CYS 6 8.239 5.772 0.644 34 HB3 CYS 6 3HB CYS 6 8.198 7.193 1.683 35 H ARG 7 H ARG 7 10.011 7.828 -1.035 36 HA ARG 7 HA ARG 7 10.854 9.953 0.547 37 HB2 ARG 7 2HB ARG 7 11.928 8.373 -1.563 38 HB3 ARG 7 3HB ARG 7 12.243 10.061 -1.943 39 HG2 ARG 7 2HG ARG 7 13.048 10.154 0.547 40 HG3 ARG 7 3HG ARG 7 13.229 8.412 0.328 41 HD2 ARG 7 2HD ARG 7 14.307 9.854 -1.925 42 HD3 ARG 7 3HD ARG 7 15.031 10.412 -0.417 43 HE ARG 7 HE ARG 7 15.155 7.716 -0.209 44 HH11 ARG 7 1HH1 ARG 7 16.160 9.984 -2.651 45 HH12 ARG 7 2HH1 ARG 7 17.486 9.011 -3.195 46 HH21 ARG 7 1HH2 ARG 7 16.898 6.425 -0.916 47 HH22 ARG 7 2HH2 ARG 7 17.904 6.987 -2.208 48 H LYS 8 H LYS 8 10.338 10.202 -2.971 49 HA LYS 8 HA LYS 8 10.124 13.022 -2.929 50 HB2 LYS 8 2HB LYS 8 10.582 11.245 -4.881 51 HB3 LYS 8 3HB LYS 8 8.862 11.498 -5.148 52 HG2 LYS 8 2HG LYS 8 9.390 13.287 -6.339 53 HG3 LYS 8 3HG LYS 8 9.929 14.055 -4.844 54 HD2 LYS 8 2HD LYS 8 11.779 14.233 -6.255 55 HD3 LYS 8 3HD LYS 8 12.151 12.825 -5.258 56 HE2 LYS 8 2HE LYS 8 10.651 12.127 -7.645 57 HE3 LYS 8 3HE LYS 8 12.168 12.940 -8.024 58 HZ1 LYS 8 3HZ LYS 8 13.362 11.195 -7.336 59 HZ2 LYS 8 1HZ LYS 8 11.929 10.315 -7.517 60 HZ3 LYS 8 2HZ LYS 8 12.377 10.897 -5.994 61 H TYR 9 H TYR 9 7.781 10.433 -2.695 62 HA TYR 9 HA TYR 9 5.445 11.884 -3.226 63 HB2 TYR 9 2HB TYR 9 5.225 9.540 -3.157 64 HB3 TYR 9 3HB TYR 9 6.001 9.425 -1.582 65 HD1 TYR 9 HD2 TYR 9 2.922 10.626 -3.280 66 HD2 TYR 9 HD1 TYR 9 4.719 9.415 0.382 67 HE1 TYR 9 HE2 TYR 9 0.714 10.641 -2.198 68 HE2 TYR 9 HE1 TYR 9 2.515 9.425 1.473 69 HH TYR 9 HH TYR 9 -0.303 10.720 -0.088 70 H CYS 10 H CYS 10 7.373 11.561 -0.311 71 HA CYS 10 HA CYS 10 5.448 13.124 1.230 72 HB2 CYS 10 2HB CYS 10 6.984 11.033 1.973 73 HB3 CYS 10 3HB CYS 10 8.049 12.359 2.429 74 H GLN 11 H GLN 11 8.644 13.375 -0.189 75 HA GLN 11 HA GLN 11 9.461 15.759 1.060 76 HB2 GLN 11 2HB GLN 11 10.203 14.473 -1.561 77 HB3 GLN 11 3HB GLN 11 10.927 15.984 -1.027 78 HG2 GLN 11 2HG GLN 11 12.127 14.990 0.634 79 HG3 GLN 11 3HG GLN 11 10.962 13.683 0.845 80 HE21 GLN 11 1HE2 GLN 11 13.284 12.704 0.885 81 HE22 GLN 11 2HE2 GLN 11 13.809 12.036 -0.619 82 H ASP 12 H ASP 12 7.201 15.140 -1.466 83 HA ASP 12 HA ASP 12 7.230 17.833 -2.509 84 HB2 ASP 12 2HB ASP 12 6.499 15.474 -3.604 85 HB3 ASP 12 3HB ASP 12 4.924 16.066 -3.085 86 H LYS 13 H LYS 13 5.890 16.308 0.170 87 HA LYS 13 HA LYS 13 3.872 18.440 0.449 88 HB2 LYS 13 2HB LYS 13 2.655 16.822 1.954 89 HB3 LYS 13 3HB LYS 13 2.677 16.392 0.249 90 HG2 LYS 13 2HG LYS 13 4.692 14.932 0.828 91 HG3 LYS 13 3HG LYS 13 4.209 15.160 2.511 92 HD2 LYS 13 2HD LYS 13 2.196 14.262 0.490 93 HD3 LYS 13 3HD LYS 13 3.336 13.099 1.171 94 HE2 LYS 13 2HE LYS 13 1.458 14.858 2.747 95 HE3 LYS 13 3HE LYS 13 1.223 13.143 2.414 96 HZ1 LYS 13 3HZ LYS 13 2.132 13.315 4.572 97 HZ2 LYS 13 1HZ LYS 13 3.340 14.388 4.073 98 HZ3 LYS 13 2HZ LYS 13 3.389 12.771 3.581 99 H GLY 14 H GLY 14 6.823 17.640 1.425 100 HA2 GLY 14 2HA GLY 14 7.854 18.973 3.162 101 HA3 GLY 14 3HA GLY 14 6.386 18.781 4.109 102 H ALA 15 H ALA 15 9.371 17.303 3.099 103 HA ALA 15 HA ALA 15 9.651 15.792 5.439 104 HB1 ALA 15 1HB ALA 15 9.306 13.774 3.349 105 HB2 ALA 15 2HB ALA 15 8.790 13.764 5.036 106 HB3 ALA 15 3HB ALA 15 7.815 14.590 3.820 107 H ARG 16 H ARG 16 11.706 15.008 5.638 108 HA ARG 16 HA ARG 16 13.611 15.838 3.671 109 HB2 ARG 16 2HB ARG 16 13.659 14.820 6.416 110 HB3 ARG 16 3HB ARG 16 15.003 14.248 5.436 111 HG2 ARG 16 2HG ARG 16 15.968 16.278 5.332 112 HG3 ARG 16 3HG ARG 16 14.424 17.127 5.250 113 HD2 ARG 16 2HD ARG 16 14.342 17.431 7.470 114 HD3 ARG 16 3HD ARG 16 14.909 15.795 7.806 115 HE ARG 16 HE ARG 16 17.047 16.605 7.986 116 HH11 ARG 16 1HH1 ARG 16 15.014 19.022 6.522 117 HH12 ARG 16 2HH1 ARG 16 16.213 20.269 6.607 118 HH21 ARG 16 1HH2 ARG 16 18.634 18.239 8.104 119 HH22 ARG 16 2HH2 ARG 16 18.272 19.823 7.506 120 H ASN 17 H ASN 17 12.565 12.679 4.927 121 HA ASN 17 HA ASN 17 13.385 11.473 2.387 122 HB2 ASN 17 2HB ASN 17 15.099 11.205 4.358 123 HB3 ASN 17 3HB ASN 17 13.958 9.990 4.927 124 HD21 ASN 17 1HD2 ASN 17 13.754 8.077 3.837 125 HD22 ASN 17 2HD2 ASN 17 14.820 7.596 2.566 126 H GLY 18 H GLY 18 12.568 9.128 2.283 127 HA2 GLY 18 2HA GLY 18 10.329 8.409 3.905 128 HA3 GLY 18 3HA GLY 18 9.816 9.073 2.360 129 H LYS 19 H LYS 19 9.572 6.346 3.510 130 HA LYS 19 HA LYS 19 10.407 4.918 1.135 131 HB2 LYS 19 2HB LYS 19 11.221 3.164 3.150 132 HB3 LYS 19 3HB LYS 19 12.255 4.026 2.018 133 HG2 LYS 19 2HG LYS 19 12.424 5.886 3.612 134 HG3 LYS 19 3HG LYS 19 11.427 4.979 4.753 135 HD2 LYS 19 2HD LYS 19 14.014 3.922 3.631 136 HD3 LYS 19 3HD LYS 19 13.925 4.858 5.125 137 HE2 LYS 19 2HE LYS 19 12.798 3.193 6.255 138 HE3 LYS 19 3HE LYS 19 12.159 2.477 4.776 139 HZ1 LYS 19 3HZ LYS 19 13.815 1.031 4.843 140 HZ2 LYS 19 1HZ LYS 19 14.486 1.786 6.201 141 HZ3 LYS 19 2HZ LYS 19 14.928 2.290 4.648 142 H CYS 20 H CYS 20 9.756 2.479 1.450 143 HA CYS 20 HA CYS 20 6.979 2.526 2.325 144 HB2 CYS 20 2HB CYS 20 8.578 0.959 0.415 145 HB3 CYS 20 3HB CYS 20 7.384 0.020 1.306 146 H ILE 21 H ILE 21 6.090 1.116 3.824 147 HA ILE 21 HA ILE 21 7.973 -0.511 5.389 148 HB ILE 21 HB ILE 21 7.496 1.680 6.528 149 HG12 ILE 21 2HG1 ILE 21 6.306 -0.412 8.271 150 HG13 ILE 21 3HG1 ILE 21 7.889 -0.758 7.583 151 HG21 ILE 21 1HG2 ILE 21 4.947 1.324 5.729 152 HG22 ILE 21 2HG2 ILE 21 4.844 0.729 7.385 153 HG23 ILE 21 3HG2 ILE 21 5.418 2.366 7.072 154 HD11 ILE 21 3HD1 ILE 21 8.383 1.685 8.490 155 HD12 ILE 21 1HD1 ILE 21 7.093 1.242 9.608 156 HD13 ILE 21 2HD1 ILE 21 8.545 0.246 9.498 157 H ASN 22 H ASN 22 6.950 -2.196 6.666 158 HA ASN 22 HA ASN 22 5.320 -3.886 5.337 159 HB2 ASN 22 2HB ASN 22 5.542 -3.426 8.309 160 HB3 ASN 22 3HB ASN 22 4.585 -4.741 7.634 161 HD21 ASN 22 1HD2 ASN 22 5.874 -6.319 8.543 162 HD22 ASN 22 2HD2 ASN 22 7.469 -6.658 7.972 163 H SER 23 H SER 23 4.081 -1.734 7.902 164 HA SER 23 HA SER 23 1.391 -2.184 7.562 165 HB2 SER 23 2HB SER 23 1.625 0.576 8.102 166 HB3 SER 23 3HB SER 23 1.394 -0.728 9.265 167 HG SER 23 HG SER 23 3.250 0.397 9.806 168 H ASN 24 H ASN 24 3.456 0.091 5.805 169 HA ASN 24 HA ASN 24 2.140 -0.063 3.390 170 HB2 ASN 24 2HB ASN 24 0.735 1.608 5.316 171 HB3 ASN 24 3HB ASN 24 1.174 2.503 3.863 172 HD21 ASN 24 1HD2 ASN 24 -1.427 1.527 4.936 173 HD22 ASN 24 2HD2 ASN 24 -2.136 0.637 3.636 174 H CYS 25 H CYS 25 2.863 2.983 5.055 175 HA CYS 25 HA CYS 25 5.466 3.146 3.771 176 HB2 CYS 25 2HB CYS 25 3.291 4.242 2.470 177 HB3 CYS 25 3HB CYS 25 3.952 5.614 3.353 178 H HIS 26 H HIS 26 6.680 5.089 4.484 179 HA HIS 26 HA HIS 26 5.722 6.510 6.798 180 HB2 HIS 26 2HB HIS 26 7.402 5.706 8.357 181 HB3 HIS 26 3HB HIS 26 6.439 4.349 7.780 182 HD1 HIS 26 HD1 HIS 26 7.915 3.798 5.124 183 HD2 HIS 26 HD2 HIS 26 9.802 4.479 8.762 184 HE1 HIS 26 HE1 HIS 26 10.183 2.733 4.914 185 H CYS 27 H CYS 27 6.685 8.450 6.960 186 HA CYS 27 HA CYS 27 8.913 8.997 5.133 187 HB2 CYS 27 2HB CYS 27 7.208 11.021 6.588 188 HB3 CYS 27 3HB CYS 27 8.259 11.297 5.203 189 H TYR 28 H TYR 28 10.291 10.962 6.017 190 HA TYR 28 HA TYR 28 10.921 10.572 8.849 191 HB2 TYR 28 2HB TYR 28 12.862 10.244 6.562 192 HB3 TYR 28 3HB TYR 28 13.380 10.531 8.219 193 HD1 TYR 28 HD1 TYR 28 11.397 8.185 6.119 194 HD2 TYR 28 HD2 TYR 28 13.615 8.742 9.707 195 HE1 TYR 28 HE1 TYR 28 11.262 5.771 6.570 196 HE2 TYR 28 HE2 TYR 28 13.487 6.330 10.168 197 HH TYR 28 HH TYR 28 11.799 4.409 9.463 198 H TYR 29 H TYR 29 10.921 12.499 9.777 199 HA TYR 29 HA TYR 29 11.479 14.873 8.159 200 HB2 TYR 29 2HB TYR 29 10.427 14.820 10.985 201 HB3 TYR 29 3HB TYR 29 10.341 16.140 9.824 202 HD1 TYR 29 HD2 TYR 29 9.384 14.716 7.415 203 HD2 TYR 29 HD1 TYR 29 8.198 14.346 11.484 204 HE1 TYR 29 HE2 TYR 29 7.166 13.939 6.691 205 HE2 TYR 29 HE1 TYR 29 5.976 13.566 10.771 206 HH TYR 29 HH TYR 29 4.518 13.717 8.797 Start of MODEL 15 1 H1 ALA 1 H ALA 1 -0.058 0.360 -0.731 2 HA ALA 1 HA ALA 1 2.660 -0.333 -0.981 3 HB1 ALA 1 1HB ALA 1 0.517 -1.072 -2.327 4 HB2 ALA 1 2HB ALA 1 1.040 0.215 -3.414 5 HB3 ALA 1 3HB ALA 1 2.123 -1.130 -3.055 6 H CYS 2 H CYS 2 3.879 0.520 -3.063 7 HA CYS 2 HA CYS 2 4.157 3.411 -2.667 8 HB2 CYS 2 2HB CYS 2 6.061 1.554 -4.100 9 HB3 CYS 2 3HB CYS 2 6.382 3.193 -3.542 10 H VAL 3 H VAL 3 4.044 4.869 -4.331 11 HA VAL 3 HA VAL 3 3.186 3.808 -6.946 12 HB VAL 3 HB VAL 3 1.791 5.827 -7.217 13 HG11 VAL 3 1HG1 VAL 3 -0.012 4.897 -6.186 14 HG12 VAL 3 2HG1 VAL 3 1.122 3.558 -6.002 15 HG13 VAL 3 3HG1 VAL 3 0.839 4.666 -4.659 16 HG21 VAL 3 3HG2 VAL 3 3.078 6.527 -4.679 17 HG22 VAL 3 1HG2 VAL 3 2.378 7.564 -5.922 18 HG23 VAL 3 2HG2 VAL 3 1.338 6.809 -4.715 19 H GLU 4 H GLU 4 4.942 6.307 -5.206 20 HA GLU 4 HA GLU 4 6.603 6.747 -7.550 21 HB2 GLU 4 2HB GLU 4 6.366 9.165 -7.509 22 HB3 GLU 4 3HB GLU 4 4.800 8.412 -7.776 23 HG2 GLU 4 2HG GLU 4 4.280 8.720 -5.385 24 HG3 GLU 4 3HG GLU 4 5.817 9.561 -5.187 25 H ASN 5 H ASN 5 7.125 5.475 -5.083 26 HA ASN 5 HA ASN 5 8.763 5.360 -3.508 27 HB2 ASN 5 2HB ASN 5 9.978 7.922 -4.473 28 HB3 ASN 5 3HB ASN 5 10.772 6.459 -3.898 29 HD21 ASN 5 1HD2 ASN 5 11.045 8.093 -6.380 30 HD22 ASN 5 2HD2 ASN 5 10.886 6.958 -7.673 31 H CYS 6 H CYS 6 8.173 5.721 -1.482 32 HA CYS 6 HA CYS 6 6.636 7.805 -0.538 33 HB2 CYS 6 2HB CYS 6 8.184 5.637 0.621 34 HB3 CYS 6 3HB CYS 6 8.200 7.065 1.650 35 H ARG 7 H ARG 7 10.084 7.669 -1.021 36 HA ARG 7 HA ARG 7 10.949 9.756 0.588 37 HB2 ARG 7 2HB ARG 7 12.018 8.184 -1.515 38 HB3 ARG 7 3HB ARG 7 12.337 9.866 -1.914 39 HG2 ARG 7 2HG ARG 7 13.250 10.089 0.450 40 HG3 ARG 7 3HG ARG 7 13.217 8.325 0.502 41 HD2 ARG 7 2HD ARG 7 15.418 9.113 -0.155 42 HD3 ARG 7 3HD ARG 7 14.650 8.251 -1.487 43 HE ARG 7 HE ARG 7 14.020 10.856 -1.943 44 HH11 ARG 7 1HH1 ARG 7 16.996 9.127 -1.423 45 HH12 ARG 7 2HH1 ARG 7 17.943 10.202 -2.397 46 HH21 ARG 7 1HH2 ARG 7 15.255 12.278 -3.228 47 HH22 ARG 7 2HH2 ARG 7 16.952 11.995 -3.423 48 H LYS 8 H LYS 8 10.453 10.079 -2.927 49 HA LYS 8 HA LYS 8 10.291 12.901 -2.834 50 HB2 LYS 8 2HB LYS 8 10.728 11.158 -4.817 51 HB3 LYS 8 3HB LYS 8 9.012 11.435 -5.083 52 HG2 LYS 8 2HG LYS 8 9.359 13.764 -5.420 53 HG3 LYS 8 3HG LYS 8 11.039 13.649 -4.891 54 HD2 LYS 8 2HD LYS 8 11.036 13.776 -7.276 55 HD3 LYS 8 3HD LYS 8 11.456 12.120 -6.830 56 HE2 LYS 8 2HE LYS 8 8.587 12.716 -7.262 57 HE3 LYS 8 3HE LYS 8 9.625 12.708 -8.687 58 HZ1 LYS 8 3HZ LYS 8 8.559 10.518 -7.318 59 HZ2 LYS 8 1HZ LYS 8 10.239 10.464 -7.125 60 HZ3 LYS 8 2HZ LYS 8 9.567 10.510 -8.677 61 H TYR 9 H TYR 9 7.880 10.349 -2.752 62 HA TYR 9 HA TYR 9 5.585 11.862 -3.230 63 HB2 TYR 9 2HB TYR 9 5.345 9.510 -3.222 64 HB3 TYR 9 3HB TYR 9 6.061 9.360 -1.621 65 HD1 TYR 9 HD1 TYR 9 3.039 10.397 -3.467 66 HD2 TYR 9 HD2 TYR 9 4.736 9.588 0.349 67 HE1 TYR 9 HE1 TYR 9 0.792 10.434 -2.467 68 HE2 TYR 9 HE2 TYR 9 2.494 9.621 1.360 69 HH TYR 9 HH TYR 9 0.329 9.988 1.025 70 H CYS 10 H CYS 10 7.507 11.464 -0.329 71 HA CYS 10 HA CYS 10 5.591 13.005 1.248 72 HB2 CYS 10 2HB CYS 10 7.051 10.874 1.964 73 HB3 CYS 10 3HB CYS 10 8.189 12.142 2.408 74 H GLN 11 H GLN 11 8.795 13.244 -0.154 75 HA GLN 11 HA GLN 11 9.609 15.609 1.154 76 HB2 GLN 11 2HB GLN 11 10.430 14.337 -1.452 77 HB3 GLN 11 3HB GLN 11 11.163 15.821 -0.858 78 HG2 GLN 11 2HG GLN 11 12.261 14.767 0.842 79 HG3 GLN 11 3HG GLN 11 11.071 13.471 0.955 80 HE21 GLN 11 1HE2 GLN 11 13.646 12.776 1.029 81 HE22 GLN 11 2HE2 GLN 11 14.131 12.024 -0.448 82 H ASP 12 H ASP 12 7.364 15.027 -1.366 83 HA ASP 12 HA ASP 12 7.481 17.717 -2.437 84 HB2 ASP 12 2HB ASP 12 6.766 15.377 -3.567 85 HB3 ASP 12 3HB ASP 12 5.178 15.961 -3.077 86 H LYS 13 H LYS 13 6.080 16.234 0.219 87 HA LYS 13 HA LYS 13 4.024 18.339 0.409 88 HB2 LYS 13 2HB LYS 13 2.862 16.740 1.995 89 HB3 LYS 13 3HB LYS 13 2.868 16.273 0.300 90 HG2 LYS 13 2HG LYS 13 4.881 14.840 0.838 91 HG3 LYS 13 3HG LYS 13 4.520 15.145 2.539 92 HD2 LYS 13 2HD LYS 13 2.438 14.082 0.654 93 HD3 LYS 13 3HD LYS 13 3.576 13.010 1.474 94 HE2 LYS 13 2HE LYS 13 1.664 14.930 2.801 95 HE3 LYS 13 3HE LYS 13 1.479 13.179 2.709 96 HZ1 LYS 13 3HZ LYS 13 4.002 13.735 3.779 97 HZ2 LYS 13 1HZ LYS 13 2.682 12.998 4.540 98 HZ3 LYS 13 2HZ LYS 13 2.875 14.677 4.619 99 H GLY 14 H GLY 14 6.972 17.438 1.526 100 HA2 GLY 14 2HA GLY 14 7.959 18.954 3.187 101 HA3 GLY 14 3HA GLY 14 6.491 18.749 4.130 102 H ALA 15 H ALA 15 9.495 17.276 3.129 103 HA ALA 15 HA ALA 15 9.846 15.879 5.530 104 HB1 ALA 15 1HB ALA 15 8.979 13.837 5.248 105 HB2 ALA 15 2HB ALA 15 7.994 14.583 3.990 106 HB3 ALA 15 3HB ALA 15 9.489 13.752 3.562 107 H ARG 16 H ARG 16 11.886 14.969 5.687 108 HA ARG 16 HA ARG 16 13.762 15.796 3.677 109 HB2 ARG 16 2HB ARG 16 13.925 14.574 6.390 110 HB3 ARG 16 3HB ARG 16 15.314 14.402 5.326 111 HG2 ARG 16 2HG ARG 16 15.643 16.730 5.208 112 HG3 ARG 16 3HG ARG 16 14.058 17.065 5.908 113 HD2 ARG 16 2HD ARG 16 15.069 15.645 7.910 114 HD3 ARG 16 3HD ARG 16 16.585 16.225 7.222 115 HE ARG 16 HE ARG 16 14.612 17.773 8.634 116 HH11 ARG 16 1HH1 ARG 16 17.253 17.858 6.368 117 HH12 ARG 16 2HH1 ARG 16 17.637 19.519 6.678 118 HH21 ARG 16 1HH2 ARG 16 15.107 19.961 9.051 119 HH22 ARG 16 2HH2 ARG 16 16.416 20.714 8.205 120 H ASN 17 H ASN 17 12.604 12.685 4.928 121 HA ASN 17 HA ASN 17 13.361 11.435 2.405 122 HB2 ASN 17 2HB ASN 17 15.163 11.205 4.334 123 HB3 ASN 17 3HB ASN 17 14.073 9.939 4.890 124 HD21 ASN 17 1HD2 ASN 17 13.968 8.038 3.805 125 HD22 ASN 17 2HD2 ASN 17 14.984 7.639 2.466 126 H GLY 18 H GLY 18 12.667 8.957 2.604 127 HA2 GLY 18 2HA GLY 18 10.561 8.209 4.281 128 HA3 GLY 18 3HA GLY 18 9.856 8.972 2.864 129 H LYS 19 H LYS 19 9.631 6.208 3.757 130 HA LYS 19 HA LYS 19 10.327 4.947 1.239 131 HB2 LYS 19 2HB LYS 19 11.075 3.020 3.149 132 HB3 LYS 19 3HB LYS 19 12.114 3.844 1.993 133 HG2 LYS 19 2HG LYS 19 12.468 5.644 3.640 134 HG3 LYS 19 3HG LYS 19 11.496 4.737 4.802 135 HD2 LYS 19 2HD LYS 19 13.984 3.659 3.483 136 HD3 LYS 19 3HD LYS 19 13.970 4.452 5.060 137 HE2 LYS 19 2HE LYS 19 11.980 2.329 4.790 138 HE3 LYS 19 3HE LYS 19 13.642 1.766 4.619 139 HZ1 LYS 19 3HZ LYS 19 12.586 1.871 6.949 140 HZ2 LYS 19 1HZ LYS 19 12.903 3.531 6.858 141 HZ3 LYS 19 2HZ LYS 19 14.174 2.420 6.750 142 H CYS 20 H CYS 20 9.632 2.452 1.514 143 HA CYS 20 HA CYS 20 6.836 2.587 2.315 144 HB2 CYS 20 2HB CYS 20 8.454 0.861 0.514 145 HB3 CYS 20 3HB CYS 20 7.039 0.131 1.266 146 H ILE 21 H ILE 21 5.875 1.263 3.822 147 HA ILE 21 HA ILE 21 7.643 -0.489 5.388 148 HB ILE 21 HB ILE 21 7.295 1.713 6.542 149 HG12 ILE 21 2HG1 ILE 21 5.937 -0.313 8.243 150 HG13 ILE 21 3HG1 ILE 21 7.511 -0.746 7.586 151 HG21 ILE 21 1HG2 ILE 21 4.575 0.955 7.367 152 HG22 ILE 21 2HG2 ILE 21 5.264 2.545 7.042 153 HG23 ILE 21 3HG2 ILE 21 4.733 1.524 5.705 154 HD11 ILE 21 3HD1 ILE 21 8.351 0.274 9.370 155 HD12 ILE 21 1HD1 ILE 21 7.928 1.783 8.562 156 HD13 ILE 21 2HD1 ILE 21 6.823 1.073 9.739 157 H ASN 22 H ASN 22 6.518 -2.125 6.634 158 HA ASN 22 HA ASN 22 4.795 -3.700 5.282 159 HB2 ASN 22 2HB ASN 22 5.056 -3.289 8.256 160 HB3 ASN 22 3HB ASN 22 3.996 -4.521 7.579 161 HD21 ASN 22 1HD2 ASN 22 6.534 -4.590 9.191 162 HD22 ASN 22 2HD2 ASN 22 7.563 -5.670 8.320 163 H SER 23 H SER 23 3.681 -1.499 7.863 164 HA SER 23 HA SER 23 0.969 -1.788 7.517 165 HB2 SER 23 2HB SER 23 2.327 -0.382 9.247 166 HB3 SER 23 3HB SER 23 2.114 0.930 8.087 167 HG SER 23 HG SER 23 0.305 1.143 9.179 168 H ASN 24 H ASN 24 3.166 0.381 5.786 169 HA ASN 24 HA ASN 24 1.857 0.323 3.364 170 HB2 ASN 24 2HB ASN 24 0.529 2.046 5.299 171 HB3 ASN 24 3HB ASN 24 1.023 2.931 3.859 172 HD21 ASN 24 1HD2 ASN 24 -1.557 1.665 5.098 173 HD22 ASN 24 2HD2 ASN 24 -2.333 0.987 3.711 174 H CYS 25 H CYS 25 2.724 3.314 5.059 175 HA CYS 25 HA CYS 25 5.338 3.354 3.784 176 HB2 CYS 25 2HB CYS 25 3.210 4.600 2.520 177 HB3 CYS 25 3HB CYS 25 3.984 5.912 3.403 178 H HIS 26 H HIS 26 6.656 5.214 4.529 179 HA HIS 26 HA HIS 26 5.771 6.638 6.873 180 HB2 HIS 26 2HB HIS 26 7.423 5.728 8.404 181 HB3 HIS 26 3HB HIS 26 6.395 4.429 7.808 182 HD1 HIS 26 HD1 HIS 26 7.791 3.788 5.162 183 HD2 HIS 26 HD2 HIS 26 9.803 4.460 8.735 184 HE1 HIS 26 HE1 HIS 26 10.016 2.644 4.907 185 H CYS 27 H CYS 27 6.753 8.558 6.964 186 HA CYS 27 HA CYS 27 9.009 9.033 5.165 187 HB2 CYS 27 2HB CYS 27 7.408 11.095 6.683 188 HB3 CYS 27 3HB CYS 27 8.458 11.359 5.294 189 H TYR 28 H TYR 28 10.463 10.942 6.081 190 HA TYR 28 HA TYR 28 11.122 10.455 8.890 191 HB2 TYR 28 2HB TYR 28 13.010 10.097 6.564 192 HB3 TYR 28 3HB TYR 28 13.572 10.345 8.213 193 HD1 TYR 28 HD1 TYR 28 11.478 8.094 6.120 194 HD2 TYR 28 HD2 TYR 28 13.761 8.534 9.684 195 HE1 TYR 28 HE1 TYR 28 11.267 5.680 6.547 196 HE2 TYR 28 HE2 TYR 28 13.557 6.122 10.119 197 HH TYR 28 HH TYR 28 12.794 4.175 9.380 198 H TYR 29 H TYR 29 11.308 12.336 9.891 199 HA TYR 29 HA TYR 29 11.937 14.728 8.311 200 HB2 TYR 29 2HB TYR 29 10.836 14.679 11.118 201 HB3 TYR 29 3HB TYR 29 10.819 16.013 9.970 202 HD1 TYR 29 HD1 TYR 29 9.848 14.628 7.532 203 HD2 TYR 29 HD2 TYR 29 8.573 14.320 11.580 204 HE1 TYR 29 HE1 TYR 29 7.612 13.946 6.769 205 HE2 TYR 29 HE2 TYR 29 6.333 13.636 10.828 206 HH TYR 29 HH TYR 29 5.196 12.775 8.976 Start of MODEL 16 1 H1 ALA 1 H ALA 1 -0.350 1.466 0.327 2 HA ALA 1 HA ALA 1 1.683 0.733 -0.632 3 HB1 ALA 1 1HB ALA 1 1.118 -0.136 -2.791 4 HB2 ALA 1 2HB ALA 1 -0.319 -0.209 -1.771 5 HB3 ALA 1 3HB ALA 1 -0.166 1.057 -2.989 6 H CYS 2 H CYS 2 3.465 1.128 -1.990 7 HA CYS 2 HA CYS 2 4.081 3.870 -2.376 8 HB2 CYS 2 2HB CYS 2 5.559 1.507 -3.543 9 HB3 CYS 2 3HB CYS 2 6.203 3.111 -3.207 10 H VAL 3 H VAL 3 3.744 5.156 -4.067 11 HA VAL 3 HA VAL 3 2.969 3.916 -6.627 12 HB VAL 3 HB VAL 3 1.699 6.043 -7.062 13 HG11 VAL 3 1HG1 VAL 3 0.112 4.540 -6.581 14 HG12 VAL 3 2HG1 VAL 3 1.014 3.890 -5.211 15 HG13 VAL 3 3HG1 VAL 3 0.027 5.338 -5.012 16 HG21 VAL 3 3HG2 VAL 3 2.718 7.537 -5.506 17 HG22 VAL 3 1HG2 VAL 3 1.037 7.330 -5.015 18 HG23 VAL 3 2HG2 VAL 3 2.320 6.487 -4.147 19 H GLU 4 H GLU 4 4.622 6.641 -5.094 20 HA GLU 4 HA GLU 4 6.341 6.845 -7.456 21 HB2 GLU 4 2HB GLU 4 6.210 9.279 -7.458 22 HB3 GLU 4 3HB GLU 4 4.617 8.578 -7.704 23 HG2 GLU 4 2HG GLU 4 4.163 8.929 -5.282 24 HG3 GLU 4 3HG GLU 4 5.696 9.791 -5.174 25 H ASN 5 H ASN 5 6.935 5.590 -5.040 26 HA ASN 5 HA ASN 5 8.619 5.447 -3.516 27 HB2 ASN 5 2HB ASN 5 9.806 8.019 -4.499 28 HB3 ASN 5 3HB ASN 5 10.620 6.563 -3.933 29 HD21 ASN 5 1HD2 ASN 5 10.874 8.166 -6.418 30 HD22 ASN 5 2HD2 ASN 5 10.677 7.032 -7.706 31 H CYS 6 H CYS 6 8.116 5.786 -1.464 32 HA CYS 6 HA CYS 6 6.600 7.850 -0.442 33 HB2 CYS 6 2HB CYS 6 8.304 5.734 0.671 34 HB3 CYS 6 3HB CYS 6 8.139 7.139 1.718 35 H ARG 7 H ARG 7 10.031 7.739 -1.048 36 HA ARG 7 HA ARG 7 10.926 9.826 0.552 37 HB2 ARG 7 2HB ARG 7 11.928 8.292 -1.647 38 HB3 ARG 7 3HB ARG 7 12.302 9.988 -1.923 39 HG2 ARG 7 2HG ARG 7 13.108 9.888 0.572 40 HG3 ARG 7 3HG ARG 7 13.241 8.163 0.227 41 HD2 ARG 7 2HD ARG 7 15.209 8.559 -0.723 42 HD3 ARG 7 3HD ARG 7 14.372 9.478 -1.974 43 HE ARG 7 HE ARG 7 14.902 10.998 0.404 44 HH11 ARG 7 1HH1 ARG 7 16.195 9.913 -2.641 45 HH12 ARG 7 2HH1 ARG 7 17.331 11.215 -2.771 46 HH21 ARG 7 1HH2 ARG 7 16.392 12.717 0.244 47 HH22 ARG 7 2HH2 ARG 7 17.443 12.809 -1.129 48 H LYS 8 H LYS 8 10.380 10.153 -2.954 49 HA LYS 8 HA LYS 8 10.182 12.975 -2.839 50 HB2 LYS 8 2HB LYS 8 10.620 11.224 -4.835 51 HB3 LYS 8 3HB LYS 8 8.912 11.546 -5.106 52 HG2 LYS 8 2HG LYS 8 9.563 13.312 -6.281 53 HG3 LYS 8 3HG LYS 8 9.996 14.058 -4.741 54 HD2 LYS 8 2HD LYS 8 11.899 14.231 -6.156 55 HD3 LYS 8 3HD LYS 8 12.254 12.974 -4.970 56 HE2 LYS 8 2HE LYS 8 10.968 11.831 -7.269 57 HE3 LYS 8 3HE LYS 8 12.365 12.782 -7.770 58 HZ1 LYS 8 3HZ LYS 8 13.479 11.494 -5.799 59 HZ2 LYS 8 1HZ LYS 8 13.350 10.792 -7.333 60 HZ3 LYS 8 2HZ LYS 8 12.256 10.369 -6.114 61 H TYR 9 H TYR 9 7.821 10.385 -2.733 62 HA TYR 9 HA TYR 9 5.495 11.844 -3.224 63 HB2 TYR 9 2HB TYR 9 5.275 9.499 -3.186 64 HB3 TYR 9 3HB TYR 9 6.042 9.365 -1.607 65 HD1 TYR 9 HD1 TYR 9 2.991 10.708 -3.272 66 HD2 TYR 9 HD2 TYR 9 4.730 9.212 0.311 67 HE1 TYR 9 HE1 TYR 9 0.776 10.708 -2.204 68 HE2 TYR 9 HE2 TYR 9 2.519 9.206 1.389 69 HH TYR 9 HH TYR 9 -0.185 10.770 0.042 70 H CYS 10 H CYS 10 7.380 11.445 -0.283 71 HA CYS 10 HA CYS 10 5.456 12.997 1.262 72 HB2 CYS 10 2HB CYS 10 6.951 10.897 1.999 73 HB3 CYS 10 3HB CYS 10 8.065 12.189 2.434 74 H GLN 11 H GLN 11 8.760 13.228 0.039 75 HA GLN 11 HA GLN 11 9.547 15.589 1.271 76 HB2 GLN 11 2HB GLN 11 10.275 14.284 -1.327 77 HB3 GLN 11 3HB GLN 11 10.921 15.872 -0.933 78 HG2 GLN 11 2HG GLN 11 12.203 15.077 0.793 79 HG3 GLN 11 3HG GLN 11 11.169 13.675 1.060 80 HE21 GLN 11 1HE2 GLN 11 12.399 11.953 0.768 81 HE22 GLN 11 2HE2 GLN 11 13.426 11.663 -0.591 82 H ASP 12 H ASP 12 7.407 15.068 -1.428 83 HA ASP 12 HA ASP 12 7.407 17.748 -2.389 84 HB2 ASP 12 2HB ASP 12 6.595 15.532 -3.532 85 HB3 ASP 12 3HB ASP 12 5.065 15.914 -2.746 86 H LYS 13 H LYS 13 5.796 16.105 0.191 87 HA LYS 13 HA LYS 13 4.029 18.421 0.609 88 HB2 LYS 13 2HB LYS 13 2.858 16.821 2.228 89 HB3 LYS 13 3HB LYS 13 2.685 16.495 0.508 90 HG2 LYS 13 2HG LYS 13 4.439 14.789 0.665 91 HG3 LYS 13 3HG LYS 13 4.575 15.104 2.396 92 HD2 LYS 13 2HD LYS 13 1.867 14.503 1.366 93 HD3 LYS 13 3HD LYS 13 3.024 13.170 1.372 94 HE2 LYS 13 2HE LYS 13 2.755 12.905 3.560 95 HE3 LYS 13 3HE LYS 13 3.209 14.584 3.847 96 HZ1 LYS 13 3HZ LYS 13 1.126 14.933 4.472 97 HZ2 LYS 13 1HZ LYS 13 0.650 13.379 3.999 98 HZ3 LYS 13 2HZ LYS 13 0.625 14.649 2.882 99 H GLY 14 H GLY 14 6.977 17.507 1.480 100 HA2 GLY 14 2HA GLY 14 8.147 18.775 3.163 101 HA3 GLY 14 3HA GLY 14 6.699 18.710 4.155 102 H ALA 15 H ALA 15 9.654 17.190 3.340 103 HA ALA 15 HA ALA 15 9.768 15.626 5.637 104 HB1 ALA 15 1HB ALA 15 8.755 13.695 5.202 105 HB2 ALA 15 2HB ALA 15 8.045 14.470 3.785 106 HB3 ALA 15 3HB ALA 15 9.547 13.559 3.632 107 H ARG 16 H ARG 16 11.774 14.700 5.907 108 HA ARG 16 HA ARG 16 13.818 15.560 4.105 109 HB2 ARG 16 2HB ARG 16 13.673 14.718 6.798 110 HB3 ARG 16 3HB ARG 16 14.771 13.610 5.987 111 HG2 ARG 16 2HG ARG 16 16.344 15.136 6.350 112 HG3 ARG 16 3HG ARG 16 15.579 16.071 5.064 113 HD2 ARG 16 2HD ARG 16 14.086 17.056 6.854 114 HD3 ARG 16 3HD ARG 16 15.163 16.310 8.034 115 HE ARG 16 HE ARG 16 16.642 18.001 7.658 116 HH11 ARG 16 1HH1 ARG 16 14.502 17.775 4.921 117 HH12 ARG 16 2HH1 ARG 16 15.150 19.176 4.133 118 HH21 ARG 16 1HH2 ARG 16 17.504 19.846 6.631 119 HH22 ARG 16 2HH2 ARG 16 16.858 20.352 5.106 120 H ASN 17 H ASN 17 12.385 12.436 4.945 121 HA ASN 17 HA ASN 17 13.279 11.356 2.402 122 HB2 ASN 17 2HB ASN 17 15.024 10.928 4.316 123 HB3 ASN 17 3HB ASN 17 13.873 9.695 4.825 124 HD21 ASN 17 1HD2 ASN 17 13.704 7.833 3.689 125 HD22 ASN 17 2HD2 ASN 17 14.704 7.433 2.338 126 H GLY 18 H GLY 18 12.476 8.962 2.253 127 HA2 GLY 18 2HA GLY 18 10.194 8.258 3.826 128 HA3 GLY 18 3HA GLY 18 9.726 8.929 2.270 129 H LYS 19 H LYS 19 9.516 6.183 3.482 130 HA LYS 19 HA LYS 19 10.324 4.751 1.098 131 HB2 LYS 19 2HB LYS 19 11.170 3.028 3.141 132 HB3 LYS 19 3HB LYS 19 12.178 3.852 1.958 133 HG2 LYS 19 2HG LYS 19 12.382 5.762 3.493 134 HG3 LYS 19 3HG LYS 19 11.425 4.882 4.686 135 HD2 LYS 19 2HD LYS 19 13.984 3.810 3.515 136 HD3 LYS 19 3HD LYS 19 13.931 4.780 4.989 137 HE2 LYS 19 2HE LYS 19 12.868 3.132 6.194 138 HE3 LYS 19 3HE LYS 19 12.157 2.394 4.759 139 HZ1 LYS 19 3HZ LYS 19 14.777 2.038 4.317 140 HZ2 LYS 19 1HZ LYS 19 13.770 0.889 5.045 141 HZ3 LYS 19 2HZ LYS 19 14.719 1.910 6.003 142 H CYS 20 H CYS 20 9.699 2.307 1.436 143 HA CYS 20 HA CYS 20 6.932 2.336 2.343 144 HB2 CYS 20 2HB CYS 20 8.480 0.863 0.360 145 HB3 CYS 20 3HB CYS 20 7.453 -0.192 1.325 146 H ILE 21 H ILE 21 6.089 1.003 3.910 147 HA ILE 21 HA ILE 21 7.996 -0.640 5.433 148 HB ILE 21 HB ILE 21 7.550 1.561 6.564 149 HG12 ILE 21 2HG1 ILE 21 6.386 -0.516 8.344 150 HG13 ILE 21 3HG1 ILE 21 7.957 -0.866 7.632 151 HG21 ILE 21 1HG2 ILE 21 4.986 1.215 5.818 152 HG22 ILE 21 2HG2 ILE 21 4.909 0.626 7.477 153 HG23 ILE 21 3HG2 ILE 21 5.486 2.260 7.147 154 HD11 ILE 21 3HD1 ILE 21 8.244 1.706 8.557 155 HD12 ILE 21 1HD1 ILE 21 7.247 0.934 9.789 156 HD13 ILE 21 2HD1 ILE 21 8.810 0.240 9.356 157 H ASN 22 H ASN 22 6.995 -2.311 6.746 158 HA ASN 22 HA ASN 22 5.337 -4.010 5.469 159 HB2 ASN 22 2HB ASN 22 6.495 -4.006 7.926 160 HB3 ASN 22 3HB ASN 22 4.795 -3.881 8.370 161 HD21 ASN 22 1HD2 ASN 22 3.378 -5.430 6.997 162 HD22 ASN 22 2HD2 ASN 22 3.957 -7.056 6.910 163 H SER 23 H SER 23 4.146 -1.826 8.030 164 HA SER 23 HA SER 23 1.449 -2.274 7.737 165 HB2 SER 23 2HB SER 23 3.115 -0.153 8.869 166 HB3 SER 23 3HB SER 23 1.554 0.433 8.297 167 HG SER 23 HG SER 23 1.790 -0.487 10.555 168 H ASN 24 H ASN 24 3.489 -0.011 5.934 169 HA ASN 24 HA ASN 24 2.142 -0.185 3.537 170 HB2 ASN 24 2HB ASN 24 0.755 1.494 5.468 171 HB3 ASN 24 3HB ASN 24 1.174 2.381 4.006 172 HD21 ASN 24 1HD2 ASN 24 -1.422 1.478 5.069 173 HD22 ASN 24 2HD2 ASN 24 -2.139 0.549 3.801 174 H CYS 25 H CYS 25 2.881 2.871 5.177 175 HA CYS 25 HA CYS 25 5.461 3.035 3.845 176 HB2 CYS 25 2HB CYS 25 3.234 4.157 2.622 177 HB3 CYS 25 3HB CYS 25 3.980 5.515 3.457 178 H HIS 26 H HIS 26 6.684 4.987 4.532 179 HA HIS 26 HA HIS 26 5.774 6.390 6.877 180 HB2 HIS 26 2HB HIS 26 7.512 5.594 8.382 181 HB3 HIS 26 3HB HIS 26 6.531 4.237 7.836 182 HD1 HIS 26 HD1 HIS 26 7.913 3.677 5.137 183 HD2 HIS 26 HD2 HIS 26 9.929 4.379 8.701 184 HE1 HIS 26 HE1 HIS 26 10.174 2.616 4.850 185 H CYS 27 H CYS 27 6.770 8.321 7.083 186 HA CYS 27 HA CYS 27 8.931 8.901 5.183 187 HB2 CYS 27 2HB CYS 27 7.209 10.879 6.684 188 HB3 CYS 27 3HB CYS 27 8.275 11.213 5.324 189 H TYR 28 H TYR 28 10.350 10.829 6.026 190 HA TYR 28 HA TYR 28 11.038 10.439 8.848 191 HB2 TYR 28 2HB TYR 28 12.930 10.149 6.513 192 HB3 TYR 28 3HB TYR 28 13.479 10.408 8.165 193 HD1 TYR 28 HD2 TYR 28 11.424 8.099 6.088 194 HD2 TYR 28 HD1 TYR 28 13.790 8.588 9.590 195 HE1 TYR 28 HE2 TYR 28 11.304 5.677 6.500 196 HE2 TYR 28 HE1 TYR 28 13.679 6.168 10.011 197 HH TYR 28 HH TYR 28 12.784 4.228 9.380 198 H TYR 29 H TYR 29 11.601 12.267 9.879 199 HA TYR 29 HA TYR 29 12.068 14.671 8.239 200 HB2 TYR 29 2HB TYR 29 10.516 14.418 10.820 201 HB3 TYR 29 3HB TYR 29 10.960 15.954 10.085 202 HD1 TYR 29 HD2 TYR 29 9.183 12.773 9.270 203 HD2 TYR 29 HD1 TYR 29 9.475 16.969 8.624 204 HE1 TYR 29 HE2 TYR 29 7.144 12.698 7.896 205 HE2 TYR 29 HE1 TYR 29 7.436 16.905 7.250 206 HH TYR 29 HH TYR 29 5.269 15.001 7.262 Start of MODEL 17 1 H1 ALA 1 H ALA 1 1.962 -0.361 -2.091 2 HA ALA 1 HA ALA 1 4.439 -1.361 -3.146 3 HB1 ALA 1 1HB ALA 1 3.325 -1.350 -5.288 4 HB2 ALA 1 2HB ALA 1 2.241 -2.013 -4.064 5 HB3 ALA 1 3HB ALA 1 2.017 -0.361 -4.638 6 H CYS 2 H CYS 2 3.846 1.545 -1.998 7 HA CYS 2 HA CYS 2 4.568 3.674 -2.381 8 HB2 CYS 2 2HB CYS 2 6.717 1.962 -3.592 9 HB3 CYS 2 3HB CYS 2 6.832 3.717 -3.670 10 H VAL 3 H VAL 3 2.816 4.346 -3.665 11 HA VAL 3 HA VAL 3 2.422 3.938 -6.363 12 HB VAL 3 HB VAL 3 1.315 6.238 -6.339 13 HG11 VAL 3 1HG1 VAL 3 -0.300 5.303 -4.393 14 HG12 VAL 3 2HG1 VAL 3 -0.285 4.675 -6.042 15 HG13 VAL 3 3HG1 VAL 3 0.614 3.844 -4.772 16 HG21 VAL 3 3HG2 VAL 3 2.873 6.565 -4.065 17 HG22 VAL 3 1HG2 VAL 3 1.569 7.620 -4.610 18 HG23 VAL 3 2HG2 VAL 3 1.237 6.337 -3.446 19 H GLU 4 H GLU 4 4.632 6.140 -4.770 20 HA GLU 4 HA GLU 4 6.109 6.499 -7.210 21 HB2 GLU 4 2HB GLU 4 5.959 8.926 -7.296 22 HB3 GLU 4 3HB GLU 4 4.362 8.212 -7.470 23 HG2 GLU 4 2HG GLU 4 3.963 8.655 -5.061 24 HG3 GLU 4 3HG GLU 4 5.508 9.501 -5.006 25 H ASN 5 H ASN 5 6.735 5.336 -4.740 26 HA ASN 5 HA ASN 5 8.441 5.253 -3.238 27 HB2 ASN 5 2HB ASN 5 9.635 7.758 -4.379 28 HB3 ASN 5 3HB ASN 5 10.446 6.329 -3.745 29 HD21 ASN 5 1HD2 ASN 5 10.691 7.777 -6.315 30 HD22 ASN 5 2HD2 ASN 5 10.456 6.576 -7.535 31 H CYS 6 H CYS 6 7.924 5.696 -1.207 32 HA CYS 6 HA CYS 6 6.485 7.866 -0.287 33 HB2 CYS 6 2HB CYS 6 8.151 5.765 0.956 34 HB3 CYS 6 3HB CYS 6 7.892 7.204 1.937 35 H ARG 7 H ARG 7 9.890 7.596 -0.919 36 HA ARG 7 HA ARG 7 10.876 9.701 0.623 37 HB2 ARG 7 2HB ARG 7 11.881 7.959 -1.332 38 HB3 ARG 7 3HB ARG 7 12.185 9.577 -1.950 39 HG2 ARG 7 2HG ARG 7 13.112 10.015 0.445 40 HG3 ARG 7 3HG ARG 7 13.242 8.256 0.503 41 HD2 ARG 7 2HD ARG 7 15.330 9.223 -0.255 42 HD3 ARG 7 3HD ARG 7 14.578 8.304 -1.558 43 HE ARG 7 HE ARG 7 13.699 10.801 -2.030 44 HH11 ARG 7 1HH1 ARG 7 16.871 9.503 -1.418 45 HH12 ARG 7 2HH1 ARG 7 17.687 10.699 -2.369 46 HH21 ARG 7 1HH2 ARG 7 14.761 12.382 -3.284 47 HH22 ARG 7 2HH2 ARG 7 16.486 12.337 -3.429 48 H LYS 8 H LYS 8 10.096 9.808 -2.859 49 HA LYS 8 HA LYS 8 10.145 12.661 -2.932 50 HB2 LYS 8 2HB LYS 8 10.449 10.816 -4.831 51 HB3 LYS 8 3HB LYS 8 8.728 11.109 -5.042 52 HG2 LYS 8 2HG LYS 8 9.916 12.508 -6.560 53 HG3 LYS 8 3HG LYS 8 9.234 13.531 -5.293 54 HD2 LYS 8 2HD LYS 8 11.257 14.285 -4.756 55 HD3 LYS 8 3HD LYS 8 11.848 12.639 -4.519 56 HE2 LYS 8 2HE LYS 8 13.169 13.806 -6.200 57 HE3 LYS 8 3HE LYS 8 12.293 12.454 -6.916 58 HZ1 LYS 8 3HZ LYS 8 11.420 15.291 -7.028 59 HZ2 LYS 8 1HZ LYS 8 10.662 13.979 -7.780 60 HZ3 LYS 8 2HZ LYS 8 12.200 14.468 -8.283 61 H TYR 9 H TYR 9 7.638 10.228 -2.599 62 HA TYR 9 HA TYR 9 5.396 11.832 -3.074 63 HB2 TYR 9 2HB TYR 9 5.026 9.505 -2.979 64 HB3 TYR 9 3HB TYR 9 5.821 9.356 -1.416 65 HD1 TYR 9 HD1 TYR 9 2.797 10.731 -3.079 66 HD2 TYR 9 HD2 TYR 9 4.579 9.468 0.573 67 HE1 TYR 9 HE1 TYR 9 0.614 10.906 -1.960 68 HE2 TYR 9 HE2 TYR 9 2.401 9.638 1.701 69 HH TYR 9 HH TYR 9 -0.522 9.983 0.014 70 H CYS 10 H CYS 10 7.369 11.391 -0.205 71 HA CYS 10 HA CYS 10 5.599 13.089 1.376 72 HB2 CYS 10 2HB CYS 10 6.985 10.910 2.106 73 HB3 CYS 10 3HB CYS 10 8.188 12.140 2.481 74 H GLN 11 H GLN 11 8.665 13.177 -0.270 75 HA GLN 11 HA GLN 11 9.676 15.522 0.977 76 HB2 GLN 11 2HB GLN 11 10.372 13.893 -1.409 77 HB3 GLN 11 3HB GLN 11 10.969 15.547 -1.366 78 HG2 GLN 11 2HG GLN 11 12.227 15.160 0.574 79 HG3 GLN 11 3HG GLN 11 11.383 13.651 0.918 80 HE21 GLN 11 1HE2 GLN 11 12.917 12.152 0.829 81 HE22 GLN 11 2HE2 GLN 11 13.987 11.891 -0.502 82 H ASP 12 H ASP 12 7.361 14.949 -1.508 83 HA ASP 12 HA ASP 12 7.529 17.608 -2.630 84 HB2 ASP 12 2HB ASP 12 6.632 15.221 -3.612 85 HB3 ASP 12 3HB ASP 12 5.118 16.017 -3.194 86 H LYS 13 H LYS 13 6.218 16.308 0.137 87 HA LYS 13 HA LYS 13 4.222 18.470 0.313 88 HB2 LYS 13 2HB LYS 13 3.044 16.981 1.975 89 HB3 LYS 13 3HB LYS 13 3.011 16.421 0.308 90 HG2 LYS 13 2HG LYS 13 5.034 14.994 0.933 91 HG3 LYS 13 3HG LYS 13 4.611 15.356 2.608 92 HD2 LYS 13 2HD LYS 13 2.762 14.098 0.582 93 HD3 LYS 13 3HD LYS 13 3.656 13.218 1.824 94 HE2 LYS 13 2HE LYS 13 1.489 15.272 2.222 95 HE3 LYS 13 3HE LYS 13 1.428 13.555 2.618 96 HZ1 LYS 13 3HZ LYS 13 2.677 15.750 4.063 97 HZ2 LYS 13 1HZ LYS 13 3.526 14.286 4.053 98 HZ3 LYS 13 2HZ LYS 13 1.945 14.343 4.651 99 H GLY 14 H GLY 14 7.136 17.323 1.451 100 HA2 GLY 14 2HA GLY 14 8.282 18.881 2.990 101 HA3 GLY 14 3HA GLY 14 6.821 18.842 3.967 102 H ALA 15 H ALA 15 9.702 17.118 3.030 103 HA ALA 15 HA ALA 15 9.913 15.785 5.499 104 HB1 ALA 15 1HB ALA 15 9.538 13.644 3.543 105 HB2 ALA 15 2HB ALA 15 8.987 13.767 5.214 106 HB3 ALA 15 3HB ALA 15 8.066 14.538 3.923 107 H ARG 16 H ARG 16 11.918 14.852 5.768 108 HA ARG 16 HA ARG 16 13.920 15.575 3.872 109 HB2 ARG 16 2HB ARG 16 13.817 14.683 6.602 110 HB3 ARG 16 3HB ARG 16 15.010 13.738 5.720 111 HG2 ARG 16 2HG ARG 16 16.317 15.464 6.407 112 HG3 ARG 16 3HG ARG 16 15.755 16.120 4.867 113 HD2 ARG 16 2HD ARG 16 13.852 16.737 6.909 114 HD3 ARG 16 3HD ARG 16 15.459 17.222 7.449 115 HE ARG 16 HE ARG 16 13.917 18.386 5.312 116 HH11 ARG 16 1HH1 ARG 16 17.095 17.944 6.662 117 HH12 ARG 16 2HH1 ARG 16 17.758 19.350 5.897 118 HH21 ARG 16 1HH2 ARG 16 14.777 20.240 4.300 119 HH22 ARG 16 2HH2 ARG 16 16.438 20.656 4.555 120 H ASN 17 H ASN 17 12.726 12.432 5.051 121 HA ASN 17 HA ASN 17 13.463 11.259 2.471 122 HB2 ASN 17 2HB ASN 17 15.238 10.871 4.312 123 HB3 ASN 17 3HB ASN 17 14.055 9.776 5.021 124 HD21 ASN 17 1HD2 ASN 17 13.723 7.807 4.124 125 HD22 ASN 17 2HD2 ASN 17 14.623 7.196 2.782 126 H GLY 18 H GLY 18 12.554 8.959 2.310 127 HA2 GLY 18 2HA GLY 18 10.304 8.300 3.958 128 HA3 GLY 18 3HA GLY 18 9.814 8.983 2.414 129 H LYS 19 H LYS 19 9.509 6.256 3.589 130 HA LYS 19 HA LYS 19 10.279 4.803 1.204 131 HB2 LYS 19 2HB LYS 19 11.030 3.038 3.250 132 HB3 LYS 19 3HB LYS 19 12.083 3.821 2.079 133 HG2 LYS 19 2HG LYS 19 12.348 5.720 3.623 134 HG3 LYS 19 3HG LYS 19 11.353 4.868 4.806 135 HD2 LYS 19 2HD LYS 19 13.879 3.714 3.639 136 HD3 LYS 19 3HD LYS 19 13.851 4.672 5.122 137 HE2 LYS 19 2HE LYS 19 12.721 3.052 6.304 138 HE3 LYS 19 3HE LYS 19 11.996 2.351 4.858 139 HZ1 LYS 19 3HZ LYS 19 14.233 1.455 6.206 140 HZ2 LYS 19 1HZ LYS 19 14.816 2.117 4.763 141 HZ3 LYS 19 2HZ LYS 19 13.644 0.898 4.722 142 H CYS 20 H CYS 20 9.530 2.404 1.486 143 HA CYS 20 HA CYS 20 6.766 2.540 2.389 144 HB2 CYS 20 2HB CYS 20 8.323 0.784 0.553 145 HB3 CYS 20 3HB CYS 20 6.897 0.100 1.326 146 H ILE 21 H ILE 21 5.856 1.225 3.933 147 HA ILE 21 HA ILE 21 7.679 -0.522 5.442 148 HB ILE 21 HB ILE 21 7.328 1.674 6.606 149 HG12 ILE 21 2HG1 ILE 21 6.042 -0.372 8.338 150 HG13 ILE 21 3HG1 ILE 21 7.606 -0.782 7.642 151 HG21 ILE 21 1HG2 ILE 21 4.641 0.877 7.497 152 HG22 ILE 21 2HG2 ILE 21 5.299 2.477 7.157 153 HG23 ILE 21 3HG2 ILE 21 4.750 1.450 5.832 154 HD11 ILE 21 3HD1 ILE 21 7.284 1.840 9.006 155 HD12 ILE 21 1HD1 ILE 21 7.429 0.375 9.977 156 HD13 ILE 21 2HD1 ILE 21 8.710 0.815 8.847 157 H ASN 22 H ASN 22 6.604 -2.173 6.714 158 HA ASN 22 HA ASN 22 4.871 -3.769 5.400 159 HB2 ASN 22 2HB ASN 22 6.070 -4.009 7.752 160 HB3 ASN 22 3HB ASN 22 4.471 -3.580 8.354 161 HD21 ASN 22 1HD2 ASN 22 3.609 -5.394 9.080 162 HD22 ASN 22 2HD2 ASN 22 3.511 -6.883 8.209 163 H SER 23 H SER 23 3.789 -1.587 8.011 164 HA SER 23 HA SER 23 1.074 -1.910 7.727 165 HB2 SER 23 2HB SER 23 2.035 0.860 8.245 166 HB3 SER 23 3HB SER 23 0.847 -0.104 9.124 167 HG SER 23 HG SER 23 2.723 -1.392 9.819 168 H ASN 24 H ASN 24 3.202 0.286 5.946 169 HA ASN 24 HA ASN 24 1.835 0.214 3.557 170 HB2 ASN 24 2HB ASN 24 0.536 1.922 5.525 171 HB3 ASN 24 3HB ASN 24 0.985 2.812 4.074 172 HD21 ASN 24 1HD2 ASN 24 -1.569 1.594 5.349 173 HD22 ASN 24 2HD2 ASN 24 -2.364 0.878 3.992 174 H CYS 25 H CYS 25 2.708 3.215 5.229 175 HA CYS 25 HA CYS 25 5.293 3.283 3.900 176 HB2 CYS 25 2HB CYS 25 3.157 4.464 2.632 177 HB3 CYS 25 3HB CYS 25 3.845 5.807 3.538 178 H HIS 26 H HIS 26 6.617 5.133 4.623 179 HA HIS 26 HA HIS 26 5.756 6.576 6.967 180 HB2 HIS 26 2HB HIS 26 7.436 5.688 8.478 181 HB3 HIS 26 3HB HIS 26 6.413 4.375 7.903 182 HD1 HIS 26 HD1 HIS 26 7.797 3.774 5.224 183 HD2 HIS 26 HD2 HIS 26 9.814 4.405 8.801 184 HE1 HIS 26 HE1 HIS 26 10.025 2.641 4.949 185 H CYS 27 H CYS 27 6.829 8.462 7.176 186 HA CYS 27 HA CYS 27 9.046 8.940 5.309 187 HB2 CYS 27 2HB CYS 27 7.434 11.040 6.757 188 HB3 CYS 27 3HB CYS 27 8.459 11.248 5.340 189 H TYR 28 H TYR 28 10.529 10.808 6.160 190 HA TYR 28 HA TYR 28 11.136 10.421 9.002 191 HB2 TYR 28 2HB TYR 28 13.073 10.067 6.713 192 HB3 TYR 28 3HB TYR 28 13.584 10.293 8.382 193 HD1 TYR 28 HD1 TYR 28 11.485 8.081 6.241 194 HD2 TYR 28 HD2 TYR 28 13.804 8.450 9.789 195 HE1 TYR 28 HE1 TYR 28 11.265 5.662 6.629 196 HE2 TYR 28 HE2 TYR 28 13.592 6.032 10.186 197 HH TYR 28 HH TYR 28 13.168 3.957 8.726 198 H TYR 29 H TYR 29 11.236 12.335 9.949 199 HA TYR 29 HA TYR 29 11.881 14.695 8.331 200 HB2 TYR 29 2HB TYR 29 10.730 14.677 11.121 201 HB3 TYR 29 3HB TYR 29 10.737 16.004 9.964 202 HD1 TYR 29 HD1 TYR 29 9.814 14.635 7.513 203 HD2 TYR 29 HD2 TYR 29 8.467 14.285 11.534 204 HE1 TYR 29 HE1 TYR 29 7.596 13.945 6.704 205 HE2 TYR 29 HE2 TYR 29 6.246 13.593 10.736 206 HH TYR 29 HH TYR 29 4.888 13.980 8.511 Start of MODEL 18 1 H1 ALA 1 H ALA 1 -0.683 -1.118 -2.775 2 HA ALA 1 HA ALA 1 1.750 -1.987 -3.109 3 HB1 ALA 1 1HB ALA 1 2.319 -1.244 -5.575 4 HB2 ALA 1 2HB ALA 1 1.730 -2.868 -5.217 5 HB3 ALA 1 3HB ALA 1 0.622 -1.645 -5.839 6 H CYS 2 H CYS 2 3.462 -0.335 -3.763 7 HA CYS 2 HA CYS 2 2.694 2.203 -2.650 8 HB2 CYS 2 2HB CYS 2 5.274 0.965 -3.541 9 HB3 CYS 2 3HB CYS 2 5.193 2.701 -3.260 10 H VAL 3 H VAL 3 1.710 3.689 -3.844 11 HA VAL 3 HA VAL 3 1.477 3.780 -6.587 12 HB VAL 3 HB VAL 3 0.725 6.049 -6.385 13 HG11 VAL 3 1HG1 VAL 3 -0.660 4.204 -5.399 14 HG12 VAL 3 2HG1 VAL 3 -0.029 4.667 -3.817 15 HG13 VAL 3 3HG1 VAL 3 -0.992 5.811 -4.753 16 HG21 VAL 3 3HG2 VAL 3 2.022 6.057 -3.660 17 HG22 VAL 3 1HG2 VAL 3 2.571 6.948 -5.080 18 HG23 VAL 3 2HG2 VAL 3 1.029 7.353 -4.327 19 H GLU 4 H GLU 4 4.063 4.990 -4.566 20 HA GLU 4 HA GLU 4 5.887 5.120 -6.724 21 HB2 GLU 4 2HB GLU 4 6.249 7.470 -6.931 22 HB3 GLU 4 3HB GLU 4 4.526 7.191 -7.145 23 HG2 GLU 4 2HG GLU 4 4.492 7.676 -4.548 24 HG3 GLU 4 3HG GLU 4 5.972 8.549 -4.943 25 H ASN 5 H ASN 5 7.715 6.962 -5.745 26 HA ASN 5 HA ASN 5 8.774 5.508 -3.509 27 HB2 ASN 5 2HB ASN 5 9.966 8.089 -4.434 28 HB3 ASN 5 3HB ASN 5 10.768 6.610 -3.914 29 HD21 ASN 5 1HD2 ASN 5 9.952 8.490 -6.520 30 HD22 ASN 5 2HD2 ASN 5 10.195 7.333 -7.780 31 H CYS 6 H CYS 6 8.138 5.854 -1.492 32 HA CYS 6 HA CYS 6 6.577 7.916 -0.552 33 HB2 CYS 6 2HB CYS 6 8.152 5.770 0.614 34 HB3 CYS 6 3HB CYS 6 8.135 7.198 1.645 35 H ARG 7 H ARG 7 10.013 7.852 -1.067 36 HA ARG 7 HA ARG 7 10.790 9.993 0.564 37 HB2 ARG 7 2HB ARG 7 12.029 8.296 -1.270 38 HB3 ARG 7 3HB ARG 7 12.256 9.906 -1.939 39 HG2 ARG 7 2HG ARG 7 12.950 10.419 0.578 40 HG3 ARG 7 3HG ARG 7 13.352 8.701 0.528 41 HD2 ARG 7 2HD ARG 7 14.265 10.107 -1.838 42 HD3 ARG 7 3HD ARG 7 14.931 10.799 -0.359 43 HE ARG 7 HE ARG 7 15.140 7.957 -0.389 44 HH11 ARG 7 1HH1 ARG 7 16.582 10.880 -1.613 45 HH12 ARG 7 2HH1 ARG 7 18.154 10.179 -1.805 46 HH21 ARG 7 1HH2 ARG 7 17.205 7.022 -0.638 47 HH22 ARG 7 2HH2 ARG 7 18.507 7.984 -1.251 48 H LYS 8 H LYS 8 10.340 10.090 -2.975 49 HA LYS 8 HA LYS 8 10.273 12.908 -3.110 50 HB2 LYS 8 2HB LYS 8 10.537 10.954 -4.948 51 HB3 LYS 8 3HB LYS 8 8.846 11.366 -5.201 52 HG2 LYS 8 2HG LYS 8 9.474 13.074 -6.454 53 HG3 LYS 8 3HG LYS 8 10.263 13.797 -5.050 54 HD2 LYS 8 2HD LYS 8 11.683 11.644 -6.543 55 HD3 LYS 8 3HD LYS 8 11.613 13.261 -7.248 56 HE2 LYS 8 2HE LYS 8 13.251 13.927 -5.908 57 HE3 LYS 8 3HE LYS 8 12.278 13.516 -4.496 58 HZ1 LYS 8 3HZ LYS 8 14.606 12.289 -5.338 59 HZ2 LYS 8 1HZ LYS 8 13.371 11.176 -5.653 60 HZ3 LYS 8 2HZ LYS 8 13.580 11.788 -4.090 61 H TYR 9 H TYR 9 7.736 10.469 -2.867 62 HA TYR 9 HA TYR 9 5.522 12.109 -3.328 63 HB2 TYR 9 2HB TYR 9 5.122 9.788 -3.306 64 HB3 TYR 9 3HB TYR 9 5.894 9.581 -1.738 65 HD1 TYR 9 HD2 TYR 9 3.024 11.465 -3.227 66 HD2 TYR 9 HD1 TYR 9 4.510 9.218 0.067 67 HE1 TYR 9 HE2 TYR 9 0.828 11.630 -2.131 68 HE2 TYR 9 HE1 TYR 9 2.318 9.377 1.171 69 HH TYR 9 HH TYR 9 0.284 11.165 0.977 70 H CYS 10 H CYS 10 7.020 11.179 -0.232 71 HA CYS 10 HA CYS 10 5.363 12.942 1.294 72 HB2 CYS 10 2HB CYS 10 6.752 10.762 1.966 73 HB3 CYS 10 3HB CYS 10 7.956 11.975 2.391 74 H GLN 11 H GLN 11 8.330 13.259 -0.426 75 HA GLN 11 HA GLN 11 9.425 15.453 0.990 76 HB2 GLN 11 2HB GLN 11 9.910 14.114 -1.603 77 HB3 GLN 11 3HB GLN 11 10.433 15.789 -1.494 78 HG2 GLN 11 2HG GLN 11 11.910 15.320 0.279 79 HG3 GLN 11 3HG GLN 11 11.201 13.728 0.546 80 HE21 GLN 11 1HE2 GLN 11 12.691 12.280 0.068 81 HE22 GLN 11 2HE2 GLN 11 13.665 12.260 -1.359 82 H ASP 12 H ASP 12 7.042 15.170 -1.546 83 HA ASP 12 HA ASP 12 7.037 17.909 -2.315 84 HB2 ASP 12 2HB ASP 12 5.869 15.592 -3.271 85 HB3 ASP 12 3HB ASP 12 4.494 16.514 -2.668 86 H LYS 13 H LYS 13 4.935 15.991 -0.182 87 HA LYS 13 HA LYS 13 3.342 18.218 0.609 88 HB2 LYS 13 2HB LYS 13 2.473 16.676 2.347 89 HB3 LYS 13 3HB LYS 13 2.425 15.986 0.730 90 HG2 LYS 13 2HG LYS 13 4.738 14.978 1.417 91 HG3 LYS 13 3HG LYS 13 4.140 15.259 3.053 92 HD2 LYS 13 2HD LYS 13 2.733 13.666 0.910 93 HD3 LYS 13 3HD LYS 13 3.621 12.993 2.279 94 HE2 LYS 13 2HE LYS 13 1.099 14.640 2.348 95 HE3 LYS 13 3HE LYS 13 1.293 12.952 2.817 96 HZ1 LYS 13 3HZ LYS 13 1.510 13.794 4.862 97 HZ2 LYS 13 1HZ LYS 13 1.864 15.354 4.309 98 HZ3 LYS 13 2HZ LYS 13 3.087 14.188 4.391 99 H GLY 14 H GLY 14 6.452 17.178 1.460 100 HA2 GLY 14 2HA GLY 14 7.697 18.874 2.783 101 HA3 GLY 14 3HA GLY 14 6.355 18.820 3.916 102 H ALA 15 H ALA 15 9.269 17.303 2.851 103 HA ALA 15 HA ALA 15 9.734 16.022 5.298 104 HB1 ALA 15 1HB ALA 15 9.320 13.837 3.373 105 HB2 ALA 15 2HB ALA 15 8.987 13.908 5.104 106 HB3 ALA 15 3HB ALA 15 7.851 14.618 3.958 107 H ARG 16 H ARG 16 11.834 15.384 5.454 108 HA ARG 16 HA ARG 16 13.607 16.111 3.350 109 HB2 ARG 16 2HB ARG 16 13.795 15.449 6.134 110 HB3 ARG 16 3HB ARG 16 14.987 14.516 5.239 111 HG2 ARG 16 2HG ARG 16 16.162 16.369 4.596 112 HG3 ARG 16 3HG ARG 16 14.752 17.427 4.682 113 HD2 ARG 16 2HD ARG 16 14.995 17.799 6.913 114 HD3 ARG 16 3HD ARG 16 15.684 16.204 7.214 115 HE ARG 16 HE ARG 16 17.559 17.594 5.736 116 HH11 ARG 16 1HH1 ARG 16 15.977 17.927 8.819 117 HH12 ARG 16 2HH1 ARG 16 17.310 18.748 9.562 118 HH21 ARG 16 1HH2 ARG 16 19.321 18.673 6.702 119 HH22 ARG 16 2HH2 ARG 16 19.211 19.173 8.356 120 H ASN 17 H ASN 17 12.493 13.025 4.670 121 HA ASN 17 HA ASN 17 13.251 11.715 2.187 122 HB2 ASN 17 2HB ASN 17 15.131 11.594 4.033 123 HB3 ASN 17 3HB ASN 17 14.093 10.341 4.707 124 HD21 ASN 17 1HD2 ASN 17 13.985 8.380 3.738 125 HD22 ASN 17 2HD2 ASN 17 14.941 7.928 2.372 126 H GLY 18 H GLY 18 12.614 9.247 2.431 127 HA2 GLY 18 2HA GLY 18 10.625 8.435 4.208 128 HA3 GLY 18 3HA GLY 18 9.817 9.200 2.848 129 H LYS 19 H LYS 19 9.550 6.473 3.603 130 HA LYS 19 HA LYS 19 10.162 5.250 1.066 131 HB2 LYS 19 2HB LYS 19 11.108 3.246 2.680 132 HB3 LYS 19 3HB LYS 19 12.106 4.344 1.737 133 HG2 LYS 19 2HG LYS 19 12.644 5.645 3.576 134 HG3 LYS 19 3HG LYS 19 11.258 5.075 4.509 135 HD2 LYS 19 2HD LYS 19 12.273 2.925 4.819 136 HD3 LYS 19 3HD LYS 19 13.585 3.330 3.710 137 HE2 LYS 19 2HE LYS 19 13.660 5.362 5.579 138 HE3 LYS 19 3HE LYS 19 13.274 3.934 6.539 139 HZ1 LYS 19 3HZ LYS 19 15.745 4.681 5.368 140 HZ2 LYS 19 1HZ LYS 19 15.269 3.160 4.800 141 HZ3 LYS 19 2HZ LYS 19 15.417 3.434 6.462 142 H CYS 20 H CYS 20 9.494 2.772 1.270 143 HA CYS 20 HA CYS 20 6.776 2.826 2.301 144 HB2 CYS 20 2HB CYS 20 8.266 1.249 0.290 145 HB3 CYS 20 3HB CYS 20 7.013 0.377 1.167 146 H ILE 21 H ILE 21 5.943 1.418 3.817 147 HA ILE 21 HA ILE 21 7.863 -0.319 5.213 148 HB ILE 21 HB ILE 21 7.479 1.841 6.450 149 HG12 ILE 21 2HG1 ILE 21 6.355 -0.284 8.191 150 HG13 ILE 21 3HG1 ILE 21 7.880 -0.650 7.391 151 HG21 ILE 21 1HG2 ILE 21 4.866 0.893 7.420 152 HG22 ILE 21 2HG2 ILE 21 5.443 2.532 7.124 153 HG23 ILE 21 3HG2 ILE 21 4.885 1.538 5.779 154 HD11 ILE 21 3HD1 ILE 21 8.304 0.247 9.575 155 HD12 ILE 21 1HD1 ILE 21 8.836 1.405 8.357 156 HD13 ILE 21 2HD1 ILE 21 7.322 1.669 9.222 157 H ASN 22 H ASN 22 6.871 -2.033 6.475 158 HA ASN 22 HA ASN 22 5.139 -3.636 5.165 159 HB2 ASN 22 2HB ASN 22 6.425 -4.118 7.318 160 HB3 ASN 22 3HB ASN 22 5.049 -3.427 8.173 161 HD21 ASN 22 1HD2 ASN 22 3.939 -5.018 9.041 162 HD22 ASN 22 2HD2 ASN 22 3.482 -6.487 8.255 163 H SER 23 H SER 23 4.086 -1.583 7.889 164 HA SER 23 HA SER 23 1.374 -1.967 7.683 165 HB2 SER 23 2HB SER 23 3.123 0.020 8.888 166 HB3 SER 23 3HB SER 23 1.603 0.731 8.348 167 HG SER 23 HG SER 23 0.641 -1.183 9.484 168 H ASN 24 H ASN 24 3.387 0.322 5.889 169 HA ASN 24 HA ASN 24 1.922 0.296 3.557 170 HB2 ASN 24 2HB ASN 24 0.685 1.930 5.626 171 HB3 ASN 24 3HB ASN 24 1.059 2.865 4.181 172 HD21 ASN 24 1HD2 ASN 24 0.559 1.414 2.113 173 HD22 ASN 24 2HD2 ASN 24 -1.051 0.787 2.095 174 H CYS 25 H CYS 25 2.819 3.265 5.271 175 HA CYS 25 HA CYS 25 5.356 3.405 3.863 176 HB2 CYS 25 2HB CYS 25 3.177 4.544 2.649 177 HB3 CYS 25 3HB CYS 25 3.826 5.897 3.569 178 H HIS 26 H HIS 26 6.653 5.290 4.563 179 HA HIS 26 HA HIS 26 5.834 6.710 6.927 180 HB2 HIS 26 2HB HIS 26 7.516 5.819 8.426 181 HB3 HIS 26 3HB HIS 26 6.501 4.501 7.850 182 HD1 HIS 26 HD1 HIS 26 7.917 4.001 5.131 183 HD2 HIS 26 HD2 HIS 26 9.867 4.471 8.770 184 HE1 HIS 26 HE1 HIS 26 10.143 2.864 4.853 185 H CYS 27 H CYS 27 6.773 8.648 6.925 186 HA CYS 27 HA CYS 27 8.982 9.118 5.073 187 HB2 CYS 27 2HB CYS 27 7.465 11.203 6.639 188 HB3 CYS 27 3HB CYS 27 8.410 11.425 5.171 189 H TYR 28 H TYR 28 10.414 11.091 5.961 190 HA TYR 28 HA TYR 28 11.182 10.611 8.739 191 HB2 TYR 28 2HB TYR 28 12.991 10.215 6.358 192 HB3 TYR 28 3HB TYR 28 13.614 10.504 7.978 193 HD1 TYR 28 HD1 TYR 28 11.518 8.183 5.977 194 HD2 TYR 28 HD2 TYR 28 13.800 8.742 9.524 195 HE1 TYR 28 HE1 TYR 28 11.334 5.780 6.466 196 HE2 TYR 28 HE2 TYR 28 13.624 6.340 10.023 197 HH TYR 28 HH TYR 28 12.927 4.356 9.302 198 H TYR 29 H TYR 29 11.395 12.504 9.711 199 HA TYR 29 HA TYR 29 12.000 14.873 8.082 200 HB2 TYR 29 2HB TYR 29 10.911 14.875 10.895 201 HB3 TYR 29 3HB TYR 29 10.888 16.187 9.722 202 HD1 TYR 29 HD1 TYR 29 9.891 14.801 7.315 203 HD2 TYR 29 HD2 TYR 29 8.665 14.479 11.376 204 HE1 TYR 29 HE1 TYR 29 7.650 14.106 6.577 205 HE2 TYR 29 HE2 TYR 29 6.421 13.782 10.649 206 HH TYR 29 HH TYR 29 4.983 13.998 8.656 Start of MODEL 19 1 H1 ALA 1 H ALA 1 -0.832 1.028 -1.573 2 HA ALA 1 HA ALA 1 1.824 0.557 -0.465 3 HB1 ALA 1 1HB ALA 1 1.165 -1.233 -1.800 4 HB2 ALA 1 2HB ALA 1 0.486 -0.182 -3.043 5 HB3 ALA 1 3HB ALA 1 2.235 -0.306 -2.852 6 H CYS 2 H CYS 2 3.648 1.112 -2.156 7 HA CYS 2 HA CYS 2 3.702 3.968 -2.328 8 HB2 CYS 2 2HB CYS 2 5.699 2.044 -3.523 9 HB3 CYS 2 3HB CYS 2 5.968 3.720 -3.057 10 H VAL 3 H VAL 3 3.338 5.259 -4.031 11 HA VAL 3 HA VAL 3 2.638 3.968 -6.583 12 HB VAL 3 HB VAL 3 1.293 5.927 -7.091 13 HG11 VAL 3 1HG1 VAL 3 0.262 5.509 -4.401 14 HG12 VAL 3 2HG1 VAL 3 -0.451 5.104 -5.964 15 HG13 VAL 3 3HG1 VAL 3 0.706 4.005 -5.209 16 HG21 VAL 3 3HG2 VAL 3 0.997 7.416 -4.846 17 HG22 VAL 3 1HG2 VAL 3 2.714 7.024 -4.763 18 HG23 VAL 3 2HG2 VAL 3 2.064 7.840 -6.185 19 H GLU 4 H GLU 4 4.594 6.446 -5.079 20 HA GLU 4 HA GLU 4 6.236 6.593 -7.469 21 HB2 GLU 4 2HB GLU 4 6.180 9.023 -7.605 22 HB3 GLU 4 3HB GLU 4 4.565 8.363 -7.820 23 HG2 GLU 4 2HG GLU 4 4.098 8.871 -5.438 24 HG3 GLU 4 3HG GLU 4 5.673 9.655 -5.340 25 H ASN 5 H ASN 5 6.743 5.461 -4.958 26 HA ASN 5 HA ASN 5 8.405 5.345 -3.408 27 HB2 ASN 5 2HB ASN 5 9.716 7.798 -4.525 28 HB3 ASN 5 3HB ASN 5 10.456 6.337 -3.877 29 HD21 ASN 5 1HD2 ASN 5 10.068 8.008 -6.599 30 HD22 ASN 5 2HD2 ASN 5 10.110 6.735 -7.766 31 H CYS 6 H CYS 6 7.953 5.844 -1.378 32 HA CYS 6 HA CYS 6 6.502 8.042 -0.518 33 HB2 CYS 6 2HB CYS 6 7.942 5.847 0.714 34 HB3 CYS 6 3HB CYS 6 8.087 7.319 1.669 35 H ARG 7 H ARG 7 9.897 7.745 -1.155 36 HA ARG 7 HA ARG 7 10.929 9.832 0.368 37 HB2 ARG 7 2HB ARG 7 11.850 8.129 -1.687 38 HB3 ARG 7 3HB ARG 7 12.196 9.772 -2.212 39 HG2 ARG 7 2HG ARG 7 13.103 9.973 0.271 40 HG3 ARG 7 3HG ARG 7 13.301 8.231 0.063 41 HD2 ARG 7 2HD ARG 7 14.284 10.131 -2.029 42 HD3 ARG 7 3HD ARG 7 15.244 9.826 -0.582 43 HE ARG 7 HE ARG 7 14.560 7.351 -1.611 44 HH11 ARG 7 1HH1 ARG 7 16.359 10.150 -2.635 45 HH12 ARG 7 2HH1 ARG 7 17.441 9.248 -3.644 46 HH21 ARG 7 1HH2 ARG 7 15.979 6.152 -2.935 47 HH22 ARG 7 2HH2 ARG 7 17.223 6.973 -3.814 48 H LYS 8 H LYS 8 10.241 10.042 -3.126 49 HA LYS 8 HA LYS 8 10.219 12.884 -3.113 50 HB2 LYS 8 2HB LYS 8 10.487 11.015 -5.053 51 HB3 LYS 8 3HB LYS 8 8.809 11.478 -5.301 52 HG2 LYS 8 2HG LYS 8 9.557 13.170 -6.520 53 HG3 LYS 8 3HG LYS 8 10.159 13.889 -5.024 54 HD2 LYS 8 2HD LYS 8 12.116 13.843 -6.175 55 HD3 LYS 8 3HD LYS 8 12.174 12.206 -5.516 56 HE2 LYS 8 2HE LYS 8 11.188 11.347 -7.589 57 HE3 LYS 8 3HE LYS 8 11.143 12.983 -8.244 58 HZ1 LYS 8 3HZ LYS 8 13.417 11.193 -7.871 59 HZ2 LYS 8 1HZ LYS 8 13.693 12.844 -7.628 60 HZ3 LYS 8 2HZ LYS 8 13.100 12.296 -9.114 61 H TYR 9 H TYR 9 7.728 10.419 -2.889 62 HA TYR 9 HA TYR 9 5.475 12.004 -3.350 63 HB2 TYR 9 2HB TYR 9 5.118 9.679 -3.292 64 HB3 TYR 9 3HB TYR 9 5.922 9.503 -1.736 65 HD1 TYR 9 HD2 TYR 9 2.990 11.323 -3.186 66 HD2 TYR 9 HD1 TYR 9 4.574 9.119 0.091 67 HE1 TYR 9 HE2 TYR 9 0.811 11.453 -2.052 68 HE2 TYR 9 HE1 TYR 9 2.399 9.242 1.233 69 HH TYR 9 HH TYR 9 -0.221 11.200 -0.011 70 H CYS 10 H CYS 10 7.210 11.310 -0.335 71 HA CYS 10 HA CYS 10 5.470 13.032 1.202 72 HB2 CYS 10 2HB CYS 10 6.857 10.862 1.913 73 HB3 CYS 10 3HB CYS 10 8.065 12.081 2.307 74 H GLN 11 H GLN 11 8.657 13.172 -0.252 75 HA GLN 11 HA GLN 11 9.601 15.486 1.033 76 HB2 GLN 11 2HB GLN 11 10.261 14.063 -1.507 77 HB3 GLN 11 3HB GLN 11 10.907 15.680 -1.260 78 HG2 GLN 11 2HG GLN 11 12.176 15.029 0.577 79 HG3 GLN 11 3HG GLN 11 11.238 13.556 0.820 80 HE21 GLN 11 1HE2 GLN 11 13.048 12.246 0.799 81 HE22 GLN 11 2HE2 GLN 11 13.936 11.912 -0.645 82 H ASP 12 H ASP 12 7.248 15.039 -1.438 83 HA ASP 12 HA ASP 12 7.388 17.721 -2.474 84 HB2 ASP 12 2HB ASP 12 6.454 15.462 -3.548 85 HB3 ASP 12 3HB ASP 12 4.948 16.058 -2.856 86 H LYS 13 H LYS 13 5.868 16.158 0.174 87 HA LYS 13 HA LYS 13 4.064 18.447 0.573 88 HB2 LYS 13 2HB LYS 13 3.009 16.894 2.310 89 HB3 LYS 13 3HB LYS 13 2.774 16.480 0.617 90 HG2 LYS 13 2HG LYS 13 4.574 14.829 0.775 91 HG3 LYS 13 3HG LYS 13 4.788 15.236 2.479 92 HD2 LYS 13 2HD LYS 13 2.026 14.602 1.786 93 HD3 LYS 13 3HD LYS 13 3.142 13.268 1.484 94 HE2 LYS 13 2HE LYS 13 3.317 12.839 3.660 95 HE3 LYS 13 3HE LYS 13 3.716 14.520 4.012 96 HZ1 LYS 13 3HZ LYS 13 0.948 14.192 3.417 97 HZ2 LYS 13 1HZ LYS 13 1.679 14.882 4.778 98 HZ3 LYS 13 2HZ LYS 13 1.417 13.212 4.713 99 H GLY 14 H GLY 14 7.051 17.421 1.448 100 HA2 GLY 14 2HA GLY 14 8.277 18.862 2.989 101 HA3 GLY 14 3HA GLY 14 6.868 18.827 4.039 102 H ALA 15 H ALA 15 9.729 17.160 3.014 103 HA ALA 15 HA ALA 15 9.901 15.700 5.436 104 HB1 ALA 15 1HB ALA 15 9.189 13.624 4.930 105 HB2 ALA 15 2HB ALA 15 8.191 14.475 3.750 106 HB3 ALA 15 3HB ALA 15 9.712 13.737 3.250 107 H ARG 16 H ARG 16 11.903 14.647 5.687 108 HA ARG 16 HA ARG 16 13.958 15.631 3.904 109 HB2 ARG 16 2HB ARG 16 13.812 14.650 6.647 110 HB3 ARG 16 3HB ARG 16 15.202 14.014 5.778 111 HG2 ARG 16 2HG ARG 16 15.988 15.959 6.787 112 HG3 ARG 16 3HG ARG 16 15.673 16.436 5.117 113 HD2 ARG 16 2HD ARG 16 14.161 17.943 5.750 114 HD3 ARG 16 3HD ARG 16 13.326 16.770 6.768 115 HE ARG 16 HE ARG 16 14.416 17.624 8.593 116 HH11 ARG 16 1HH1 ARG 16 15.974 18.753 5.691 117 HH12 ARG 16 2HH1 ARG 16 17.002 19.872 6.523 118 HH21 ARG 16 1HH2 ARG 16 15.764 19.095 9.699 119 HH22 ARG 16 2HH2 ARG 16 16.883 20.066 8.802 120 H ASN 17 H ASN 17 12.827 12.464 5.059 121 HA ASN 17 HA ASN 17 13.627 11.261 2.546 122 HB2 ASN 17 2HB ASN 17 15.574 11.211 4.316 123 HB3 ASN 17 3HB ASN 17 14.636 9.892 5.010 124 HD21 ASN 17 1HD2 ASN 17 14.482 7.960 3.930 125 HD22 ASN 17 2HD2 ASN 17 15.456 7.573 2.556 126 H GLY 18 H GLY 18 12.083 9.898 1.931 127 HA2 GLY 18 2HA GLY 18 10.435 8.631 4.032 128 HA3 GLY 18 3HA GLY 18 9.744 9.270 2.548 129 H LYS 19 H LYS 19 9.466 6.600 3.501 130 HA LYS 19 HA LYS 19 10.303 5.200 1.128 131 HB2 LYS 19 2HB LYS 19 11.152 3.397 3.071 132 HB3 LYS 19 3HB LYS 19 12.174 4.309 1.969 133 HG2 LYS 19 2HG LYS 19 12.436 6.066 3.607 134 HG3 LYS 19 3HG LYS 19 11.323 5.244 4.703 135 HD2 LYS 19 2HD LYS 19 13.634 3.668 3.741 136 HD3 LYS 19 3HD LYS 19 13.992 4.994 4.850 137 HE2 LYS 19 2HE LYS 19 12.255 4.066 6.389 138 HE3 LYS 19 3HE LYS 19 12.123 2.675 5.314 139 HZ1 LYS 19 3HZ LYS 19 13.607 2.037 6.987 140 HZ2 LYS 19 1HZ LYS 19 14.444 3.507 6.948 141 HZ3 LYS 19 2HZ LYS 19 14.599 2.412 5.669 142 H CYS 20 H CYS 20 9.788 2.652 1.697 143 HA CYS 20 HA CYS 20 6.969 2.721 2.483 144 HB2 CYS 20 2HB CYS 20 8.609 1.043 0.670 145 HB3 CYS 20 3HB CYS 20 7.302 0.224 1.519 146 H ILE 21 H ILE 21 6.084 1.200 3.930 147 HA ILE 21 HA ILE 21 8.011 -0.269 5.591 148 HB ILE 21 HB ILE 21 7.344 1.912 6.669 149 HG12 ILE 21 2HG1 ILE 21 6.274 -0.199 8.450 150 HG13 ILE 21 3HG1 ILE 21 7.869 -0.501 7.769 151 HG21 ILE 21 1HG2 ILE 21 5.207 2.438 7.164 152 HG22 ILE 21 2HG2 ILE 21 4.854 1.353 5.820 153 HG23 ILE 21 3HG2 ILE 21 4.753 0.763 7.479 154 HD11 ILE 21 3HD1 ILE 21 8.776 1.408 8.790 155 HD12 ILE 21 1HD1 ILE 21 7.183 2.055 9.179 156 HD13 ILE 21 2HD1 ILE 21 7.786 0.629 10.024 157 H ASN 22 H ASN 22 7.045 -1.992 6.869 158 HA ASN 22 HA ASN 22 5.569 -3.799 5.509 159 HB2 ASN 22 2HB ASN 22 6.476 -3.546 8.156 160 HB3 ASN 22 3HB ASN 22 4.758 -3.913 8.281 161 HD21 ASN 22 1HD2 ASN 22 7.174 -5.502 8.902 162 HD22 ASN 22 2HD2 ASN 22 6.989 -6.974 8.016 163 H SER 23 H SER 23 4.121 -1.702 8.009 164 HA SER 23 HA SER 23 1.476 -2.321 7.600 165 HB2 SER 23 2HB SER 23 2.879 0.139 8.563 166 HB3 SER 23 3HB SER 23 1.142 0.217 8.269 167 HG SER 23 HG SER 23 2.417 -1.715 9.913 168 H ASN 24 H ASN 24 3.460 0.014 5.838 169 HA ASN 24 HA ASN 24 2.192 -0.255 3.404 170 HB2 ASN 24 2HB ASN 24 0.698 1.416 5.265 171 HB3 ASN 24 3HB ASN 24 1.123 2.282 3.791 172 HD21 ASN 24 1HD2 ASN 24 0.841 0.748 1.778 173 HD22 ASN 24 2HD2 ASN 24 -0.706 -0.015 1.692 174 H CYS 25 H CYS 25 2.761 2.866 4.983 175 HA CYS 25 HA CYS 25 5.375 3.092 3.718 176 HB2 CYS 25 2HB CYS 25 3.143 4.121 2.431 177 HB3 CYS 25 3HB CYS 25 3.814 5.515 3.272 178 H HIS 26 H HIS 26 6.394 5.267 4.319 179 HA HIS 26 HA HIS 26 5.435 6.646 6.615 180 HB2 HIS 26 2HB HIS 26 7.144 5.914 8.218 181 HB3 HIS 26 3HB HIS 26 6.112 4.571 7.734 182 HD1 HIS 26 HD1 HIS 26 8.060 4.709 4.919 183 HD2 HIS 26 HD2 HIS 26 8.952 3.688 8.846 184 HE1 HIS 26 HE1 HIS 26 10.138 3.298 4.792 185 H CYS 27 H CYS 27 6.829 8.376 7.266 186 HA CYS 27 HA CYS 27 8.987 8.942 5.340 187 HB2 CYS 27 2HB CYS 27 7.239 11.057 6.590 188 HB3 CYS 27 3HB CYS 27 8.341 11.225 5.227 189 H TYR 28 H TYR 28 10.478 10.716 6.177 190 HA TYR 28 HA TYR 28 10.811 10.579 9.089 191 HB2 TYR 28 2HB TYR 28 12.987 10.036 7.058 192 HB3 TYR 28 3HB TYR 28 13.251 10.227 8.788 193 HD1 TYR 28 HD2 TYR 28 11.399 8.142 6.320 194 HD2 TYR 28 HD1 TYR 28 13.136 8.373 10.197 195 HE1 TYR 28 HE2 TYR 28 10.987 5.739 6.641 196 HE2 TYR 28 HE1 TYR 28 12.731 5.970 10.528 197 HH TYR 28 HH TYR 28 12.438 3.888 8.731 198 H TYR 29 H TYR 29 10.948 12.560 9.882 199 HA TYR 29 HA TYR 29 11.671 14.771 8.121 200 HB2 TYR 29 2HB TYR 29 10.721 14.981 10.975 201 HB3 TYR 29 3HB TYR 29 10.664 16.213 9.719 202 HD1 TYR 29 HD1 TYR 29 9.543 14.638 7.464 203 HD2 TYR 29 HD2 TYR 29 8.478 14.721 11.583 204 HE1 TYR 29 HE1 TYR 29 7.257 13.943 6.881 205 HE2 TYR 29 HE2 TYR 29 6.189 14.025 11.011 206 HH TYR 29 HH TYR 29 5.278 12.600 8.478 Start of MODEL 20 1 H1 ALA 1 H ALA 1 1.629 0.873 0.965 2 HA ALA 1 HA ALA 1 2.790 -0.068 -0.862 3 HB1 ALA 1 1HB ALA 1 1.607 -0.966 -2.509 4 HB2 ALA 1 2HB ALA 1 0.151 -0.244 -1.822 5 HB3 ALA 1 3HB ALA 1 1.076 0.629 -3.043 6 H CYS 2 H CYS 2 3.894 0.956 -2.726 7 HA CYS 2 HA CYS 2 3.879 3.882 -2.421 8 HB2 CYS 2 2HB CYS 2 6.107 2.194 -3.566 9 HB3 CYS 2 3HB CYS 2 6.186 3.879 -3.061 10 H VAL 3 H VAL 3 3.115 5.050 -4.045 11 HA VAL 3 HA VAL 3 2.666 3.788 -6.636 12 HB VAL 3 HB VAL 3 1.292 5.723 -7.167 13 HG11 VAL 3 1HG1 VAL 3 -0.420 4.813 -6.075 14 HG12 VAL 3 2HG1 VAL 3 0.756 3.825 -5.206 15 HG13 VAL 3 3HG1 VAL 3 0.203 5.352 -4.516 16 HG21 VAL 3 3HG2 VAL 3 2.021 7.655 -6.270 17 HG22 VAL 3 1HG2 VAL 3 0.962 7.217 -4.928 18 HG23 VAL 3 2HG2 VAL 3 2.688 6.860 -4.843 19 H GLU 4 H GLU 4 4.597 6.288 -5.148 20 HA GLU 4 HA GLU 4 6.236 6.445 -7.534 21 HB2 GLU 4 2HB GLU 4 6.142 8.872 -7.700 22 HB3 GLU 4 3HB GLU 4 4.539 8.184 -7.914 23 HG2 GLU 4 2HG GLU 4 4.051 8.712 -5.542 24 HG3 GLU 4 3HG GLU 4 5.615 9.520 -5.443 25 H ASN 5 H ASN 5 6.750 5.351 -5.008 26 HA ASN 5 HA ASN 5 8.408 5.280 -3.451 27 HB2 ASN 5 2HB ASN 5 9.686 7.740 -4.589 28 HB3 ASN 5 3HB ASN 5 10.445 6.296 -3.925 29 HD21 ASN 5 1HD2 ASN 5 10.053 7.934 -6.663 30 HD22 ASN 5 2HD2 ASN 5 10.113 6.650 -7.817 31 H CYS 6 H CYS 6 7.936 5.796 -1.429 32 HA CYS 6 HA CYS 6 6.449 7.981 -0.602 33 HB2 CYS 6 2HB CYS 6 7.915 5.823 0.663 34 HB3 CYS 6 3HB CYS 6 8.034 7.308 1.601 35 H ARG 7 H ARG 7 9.851 7.728 -1.219 36 HA ARG 7 HA ARG 7 10.845 9.848 0.284 37 HB2 ARG 7 2HB ARG 7 11.799 8.138 -1.752 38 HB3 ARG 7 3HB ARG 7 12.126 9.781 -2.287 39 HG2 ARG 7 2HG ARG 7 13.018 10.015 0.196 40 HG3 ARG 7 3HG ARG 7 13.235 8.273 0.008 41 HD2 ARG 7 2HD ARG 7 14.196 10.104 -2.142 42 HD3 ARG 7 3HD ARG 7 15.141 9.946 -0.662 43 HE ARG 7 HE ARG 7 14.619 7.375 -1.492 44 HH11 ARG 7 1HH1 ARG 7 16.205 10.181 -2.807 45 HH12 ARG 7 2HH1 ARG 7 17.322 9.264 -3.763 46 HH21 ARG 7 1HH2 ARG 7 16.084 6.156 -2.745 47 HH22 ARG 7 2HH2 ARG 7 17.252 6.974 -3.727 48 H LYS 8 H LYS 8 10.169 10.010 -3.214 49 HA LYS 8 HA LYS 8 10.105 12.850 -3.233 50 HB2 LYS 8 2HB LYS 8 10.410 10.966 -5.151 51 HB3 LYS 8 3HB LYS 8 8.725 11.399 -5.411 52 HG2 LYS 8 2HG LYS 8 9.801 12.849 -6.824 53 HG3 LYS 8 3HG LYS 8 9.628 13.839 -5.373 54 HD2 LYS 8 2HD LYS 8 11.866 13.727 -4.866 55 HD3 LYS 8 3HD LYS 8 12.085 12.182 -5.692 56 HE2 LYS 8 2HE LYS 8 11.477 13.657 -7.809 57 HE3 LYS 8 3HE LYS 8 12.098 14.948 -6.781 58 HZ1 LYS 8 3HZ LYS 8 13.833 12.719 -6.695 59 HZ2 LYS 8 1HZ LYS 8 14.158 14.299 -7.203 60 HZ3 LYS 8 2HZ LYS 8 13.563 13.162 -8.305 61 H TYR 9 H TYR 9 7.649 10.351 -2.996 62 HA TYR 9 HA TYR 9 5.375 11.896 -3.481 63 HB2 TYR 9 2HB TYR 9 5.052 9.567 -3.400 64 HB3 TYR 9 3HB TYR 9 5.851 9.420 -1.839 65 HD1 TYR 9 HD1 TYR 9 2.899 11.180 -3.322 66 HD2 TYR 9 HD2 TYR 9 4.502 9.039 -0.013 67 HE1 TYR 9 HE1 TYR 9 0.713 11.289 -2.201 68 HE2 TYR 9 HE2 TYR 9 2.320 9.141 1.118 69 HH TYR 9 HH TYR 9 0.288 10.193 1.105 70 H CYS 10 H CYS 10 7.111 11.265 -0.454 71 HA CYS 10 HA CYS 10 5.338 12.976 1.057 72 HB2 CYS 10 2HB CYS 10 6.751 10.834 1.798 73 HB3 CYS 10 3HB CYS 10 7.941 12.073 2.183 74 H GLN 11 H GLN 11 8.531 13.146 -0.381 75 HA GLN 11 HA GLN 11 9.434 15.487 0.881 76 HB2 GLN 11 2HB GLN 11 10.129 14.046 -1.639 77 HB3 GLN 11 3HB GLN 11 10.752 15.674 -1.405 78 HG2 GLN 11 2HG GLN 11 12.018 15.058 0.446 79 HG3 GLN 11 3HG GLN 11 11.097 13.575 0.699 80 HE21 GLN 11 1HE2 GLN 11 12.949 12.310 0.712 81 HE22 GLN 11 2HE2 GLN 11 13.841 11.965 -0.726 82 H ASP 12 H ASP 12 7.102 14.978 -1.596 83 HA ASP 12 HA ASP 12 7.209 17.649 -2.663 84 HB2 ASP 12 2HB ASP 12 6.308 15.358 -3.708 85 HB3 ASP 12 3HB ASP 12 4.792 15.958 -3.043 86 H LYS 13 H LYS 13 5.698 16.096 -0.005 87 HA LYS 13 HA LYS 13 3.858 18.363 0.356 88 HB2 LYS 13 2HB LYS 13 2.815 16.815 2.106 89 HB3 LYS 13 3HB LYS 13 2.596 16.380 0.416 90 HG2 LYS 13 2HG LYS 13 4.418 14.756 0.602 91 HG3 LYS 13 3HG LYS 13 4.616 15.184 2.303 92 HD2 LYS 13 2HD LYS 13 1.868 14.506 1.606 93 HD3 LYS 13 3HD LYS 13 3.001 13.184 1.316 94 HE2 LYS 13 2HE LYS 13 2.667 12.741 3.496 95 HE3 LYS 13 3HE LYS 13 3.829 14.041 3.747 96 HZ1 LYS 13 3HZ LYS 13 1.327 13.958 4.772 97 HZ2 LYS 13 1HZ LYS 13 1.128 14.968 3.429 98 HZ3 LYS 13 2HZ LYS 13 2.270 15.354 4.616 99 H GLY 14 H GLY 14 6.854 17.389 1.261 100 HA2 GLY 14 2HA GLY 14 8.050 18.867 2.792 101 HA3 GLY 14 3HA GLY 14 6.636 18.821 3.835 102 H ALA 15 H ALA 15 9.527 17.187 2.842 103 HA ALA 15 HA ALA 15 9.710 15.756 5.281 104 HB1 ALA 15 1HB ALA 15 9.560 13.767 3.115 105 HB2 ALA 15 2HB ALA 15 9.030 13.663 4.794 106 HB3 ALA 15 3HB ALA 15 8.025 14.487 3.602 107 H ARG 16 H ARG 16 11.726 14.735 5.552 108 HA ARG 16 HA ARG 16 13.774 15.730 3.767 109 HB2 ARG 16 2HB ARG 16 13.614 14.979 6.523 110 HB3 ARG 16 3HB ARG 16 14.892 14.044 5.757 111 HG2 ARG 16 2HG ARG 16 16.056 15.994 5.101 112 HG3 ARG 16 3HG ARG 16 14.685 17.029 5.505 113 HD2 ARG 16 2HD ARG 16 15.005 16.740 7.811 114 HD3 ARG 16 3HD ARG 16 16.048 15.339 7.575 115 HE ARG 16 HE ARG 16 17.436 17.313 6.380 116 HH11 ARG 16 1HH1 ARG 16 15.935 17.042 9.510 117 HH12 ARG 16 2HH1 ARG 16 17.075 18.087 10.291 118 HH21 ARG 16 1HH2 ARG 16 18.943 18.690 7.398 119 HH22 ARG 16 2HH2 ARG 16 18.785 19.024 9.089 120 H ASN 17 H ASN 17 12.684 12.560 4.952 121 HA ASN 17 HA ASN 17 13.512 11.341 2.457 122 HB2 ASN 17 2HB ASN 17 15.452 11.339 4.236 123 HB3 ASN 17 3HB ASN 17 14.531 10.014 4.940 124 HD21 ASN 17 1HD2 ASN 17 14.415 8.068 3.883 125 HD22 ASN 17 2HD2 ASN 17 15.400 7.681 2.517 126 H GLY 18 H GLY 18 11.991 9.949 1.850 127 HA2 GLY 18 2HA GLY 18 10.352 8.681 3.959 128 HA3 GLY 18 3HA GLY 18 9.659 9.294 2.465 129 H LYS 19 H LYS 19 9.415 6.630 3.446 130 HA LYS 19 HA LYS 19 10.283 5.216 1.093 131 HB2 LYS 19 2HB LYS 19 11.149 3.448 3.060 132 HB3 LYS 19 3HB LYS 19 12.163 4.363 1.952 133 HG2 LYS 19 2HG LYS 19 12.392 6.141 3.571 134 HG3 LYS 19 3HG LYS 19 11.287 5.315 4.672 135 HD2 LYS 19 2HD LYS 19 13.625 3.764 3.737 136 HD3 LYS 19 3HD LYS 19 13.958 5.106 4.834 137 HE2 LYS 19 2HE LYS 19 12.316 4.185 6.419 138 HE3 LYS 19 3HE LYS 19 12.044 2.827 5.329 139 HZ1 LYS 19 3HZ LYS 19 14.310 3.380 7.077 140 HZ2 LYS 19 1HZ LYS 19 14.662 2.669 5.583 141 HZ3 LYS 19 2HZ LYS 19 13.603 1.902 6.655 142 H CYS 20 H CYS 20 9.802 2.668 1.688 143 HA CYS 20 HA CYS 20 6.980 2.704 2.462 144 HB2 CYS 20 2HB CYS 20 8.652 1.028 0.676 145 HB3 CYS 20 3HB CYS 20 7.350 0.203 1.527 146 H ILE 21 H ILE 21 6.111 1.187 3.922 147 HA ILE 21 HA ILE 21 8.052 -0.236 5.607 148 HB ILE 21 HB ILE 21 7.349 1.947 6.658 149 HG12 ILE 21 2HG1 ILE 21 6.302 -0.159 8.458 150 HG13 ILE 21 3HG1 ILE 21 7.903 -0.446 7.787 151 HG21 ILE 21 1HG2 ILE 21 4.870 1.343 5.805 152 HG22 ILE 21 2HG2 ILE 21 4.772 0.767 7.468 153 HG23 ILE 21 3HG2 ILE 21 5.201 2.446 7.140 154 HD11 ILE 21 3HD1 ILE 21 7.798 0.706 10.028 155 HD12 ILE 21 1HD1 ILE 21 8.779 1.488 8.790 156 HD13 ILE 21 2HD1 ILE 21 7.174 2.113 9.169 157 H ASN 22 H ASN 22 7.106 -1.959 6.900 158 HA ASN 22 HA ASN 22 5.661 -3.802 5.554 159 HB2 ASN 22 2HB ASN 22 5.680 -3.269 8.528 160 HB3 ASN 22 3HB ASN 22 4.949 -4.703 7.813 161 HD21 ASN 22 1HD2 ASN 22 6.387 -6.049 8.898 162 HD22 ASN 22 2HD2 ASN 22 8.039 -6.202 8.415 163 H SER 23 H SER 23 4.172 -1.699 8.025 164 HA SER 23 HA SER 23 1.539 -2.360 7.612 165 HB2 SER 23 2HB SER 23 2.843 -0.521 9.162 166 HB3 SER 23 3HB SER 23 1.964 0.522 8.044 167 HG SER 23 HG SER 23 1.006 -0.657 10.164 168 H ASN 24 H ASN 24 3.496 -0.016 5.832 169 HA ASN 24 HA ASN 24 2.242 -0.331 3.397 170 HB2 ASN 24 2HB ASN 24 0.716 1.339 5.233 171 HB3 ASN 24 3HB ASN 24 1.135 2.194 3.751 172 HD21 ASN 24 1HD2 ASN 24 -1.449 1.226 4.755 173 HD22 ASN 24 2HD2 ASN 24 -2.081 0.210 3.509 174 H CYS 25 H CYS 25 2.759 2.816 4.944 175 HA CYS 25 HA CYS 25 5.375 3.065 3.687 176 HB2 CYS 25 2HB CYS 25 3.133 4.048 2.380 177 HB3 CYS 25 3HB CYS 25 3.781 5.460 3.207 178 H HIS 26 H HIS 26 6.359 5.262 4.268 179 HA HIS 26 HA HIS 26 5.371 6.652 6.544 180 HB2 HIS 26 2HB HIS 26 7.083 5.963 8.162 181 HB3 HIS 26 3HB HIS 26 6.073 4.600 7.688 182 HD1 HIS 26 HD1 HIS 26 8.031 4.735 4.880 183 HD2 HIS 26 HD2 HIS 26 8.920 3.771 8.823 184 HE1 HIS 26 HE1 HIS 26 10.130 3.353 4.778 185 H CYS 27 H CYS 27 6.737 8.410 7.181 186 HA CYS 27 HA CYS 27 8.895 8.985 5.258 187 HB2 CYS 27 2HB CYS 27 7.110 11.088 6.476 188 HB3 CYS 27 3HB CYS 27 8.216 11.257 5.117 189 H TYR 28 H TYR 28 10.356 10.790 6.081 190 HA TYR 28 HA TYR 28 10.679 10.690 8.995 191 HB2 TYR 28 2HB TYR 28 12.871 10.157 6.980 192 HB3 TYR 28 3HB TYR 28 13.125 10.371 8.709 193 HD1 TYR 28 HD2 TYR 28 11.313 8.232 6.257 194 HD2 TYR 28 HD1 TYR 28 13.032 8.530 10.137 195 HE1 TYR 28 HE2 TYR 28 10.935 5.826 6.603 196 HE2 TYR 28 HE1 TYR 28 12.660 6.125 10.494 197 HH TYR 28 HH TYR 28 11.015 4.356 9.542 198 H TYR 29 H TYR 29 10.784 12.681 9.767 199 HA TYR 29 HA TYR 29 11.478 14.884 7.985 200 HB2 TYR 29 2HB TYR 29 10.525 15.109 10.837 201 HB3 TYR 29 3HB TYR 29 10.450 16.327 9.569 202 HD1 TYR 29 HD1 TYR 29 9.351 14.713 7.331 203 HD2 TYR 29 HD2 TYR 29 8.286 14.823 11.448 204 HE1 TYR 29 HE1 TYR 29 7.075 13.978 6.756 205 HE2 TYR 29 HE2 TYR 29 6.008 14.087 10.885 206 HH TYR 29 HH TYR 29 4.990 12.686 8.796
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