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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8805 |
1mvj ![]() ![]() |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 12.687 -0.623 -0.623 2 2H CYS 1 3H CYS 1 12.083 -2.207 -2.207 3 3H CYS 1 2H CYS 1 12.679 -1.423 -1.423 4 HA CYS 1 HA CYS 1 10.303 -1.428 -1.428 5 1HB CYS 1 2HB CYS 1 9.181 0.002 0.002 6 2HB CYS 1 1HB CYS 1 9.631 -1.625 -1.625 7 H LYS 2 H LYS 2 8.932 0.724 0.724 8 HA LYS 2 HA LYS 2 10.702 2.702 2.702 9 1HB LYS 2 2HB LYS 2 7.671 2.786 2.786 10 2HB LYS 2 1HB LYS 2 8.837 3.315 3.315 11 1HG LYS 2 2HG LYS 2 8.445 0.373 0.373 12 2HG LYS 2 1HG LYS 2 7.614 1.184 1.184 13 1HD LYS 2 2HD LYS 2 9.612 1.569 1.569 14 2HD LYS 2 1HD LYS 2 10.644 1.325 1.325 15 1HE LYS 2 2HE LYS 2 10.099 -1.068 -1.068 16 2HE LYS 2 1HE LYS 2 8.998 -0.870 -0.870 17 1HZ LYS 2 3HZ LYS 2 10.908 -0.056 -0.056 18 2HZ LYS 2 2HZ LYS 2 11.924 -0.432 -0.432 19 3HZ LYS 2 1HZ LYS 2 11.072 -1.667 -1.667 20 H LEU 3 H LEU 3 9.351 4.997 4.997 21 HA LEU 3 HA LEU 3 8.957 5.714 5.714 22 1HB LEU 3 2HB LEU 3 11.261 6.237 6.237 23 2HB LEU 3 1HB LEU 3 10.430 7.327 7.327 24 HG LEU 3 HG LEU 3 11.602 8.256 8.256 25 1HD1 LEU 3 3HD1 LEU 3 9.389 9.141 9.141 26 2HD1 LEU 3 2HD1 LEU 3 8.973 9.490 9.490 27 3HD1 LEU 3 1HD1 LEU 3 10.465 10.109 10.109 28 1HD2 LEU 3 2HD2 LEU 3 10.471 6.525 6.525 29 2HD2 LEU 3 1HD2 LEU 3 10.453 8.182 8.182 30 3HD2 LEU 3 3HD2 LEU 3 9.007 7.483 7.483 31 H LYS 4 H LYS 4 7.824 7.984 7.984 32 HA LYS 4 HA LYS 4 5.329 7.741 7.741 33 1HB LYS 4 2HB LYS 4 6.058 9.085 9.085 34 2HB LYS 4 1HB LYS 4 6.483 10.360 10.360 35 1HG LYS 4 2HG LYS 4 3.718 9.027 9.027 36 2HG LYS 4 1HG LYS 4 4.092 10.386 10.386 37 1HD LYS 4 2HD LYS 4 4.791 11.646 11.646 38 2HD LYS 4 1HD LYS 4 4.006 10.340 10.340 39 1HE LYS 4 2HE LYS 4 2.346 12.044 12.044 40 2HE LYS 4 1HE LYS 4 1.910 10.791 10.791 41 1HZ LYS 4 1HZ LYS 4 3.607 13.071 13.071 42 2HZ LYS 4 3HZ LYS 4 1.912 13.182 13.182 43 3HZ LYS 4 2HZ LYS 4 2.693 12.037 12.037 44 H GLY 5 H GLY 5 4.688 8.241 8.241 45 1HA GLY 5 2HA GLY 5 4.407 9.435 9.435 46 2HA GLY 5 1HA GLY 5 5.831 10.350 10.350 47 H GLN 6 H GLN 6 6.362 6.973 6.973 48 HA GLN 6 HA GLN 6 7.893 7.003 7.003 49 1HB GLN 6 2HB GLN 6 8.086 5.532 5.532 50 2HB GLN 6 1HB GLN 6 8.116 4.429 4.429 51 1HG GLN 6 2HG GLN 6 9.935 5.761 5.761 52 2HG GLN 6 1HG GLN 6 9.921 6.862 6.862 53 1HE2 GLN 6 2HE2 GLN 6 11.750 4.684 4.684 54 2HE2 GLN 6 1HE2 GLN 6 10.877 6.135 6.135 55 H SER 7 H SER 7 7.292 5.980 5.980 56 HA SER 7 HA SER 7 4.688 5.263 5.263 57 1HB SER 7 2HB SER 7 5.702 4.107 4.107 58 2HB SER 7 1HB SER 7 6.245 5.773 5.773 59 HG SER 7 HG SER 7 7.552 3.365 3.365 60 H CYS 8 H CYS 8 3.455 3.702 3.702 61 HA CYS 8 HA CYS 8 4.276 0.898 0.898 62 1HB CYS 8 2HB CYS 8 3.731 0.450 0.450 63 2HB CYS 8 1HB CYS 8 5.161 1.385 1.385 64 H ARG 9 H ARG 9 2.649 -0.545 -0.545 65 HA ARG 9 HA ARG 9 0.095 0.224 0.224 66 1HB ARG 9 2HB ARG 9 1.525 -2.204 -2.204 67 2HB ARG 9 1HB ARG 9 0.057 -2.426 -2.426 68 1HG ARG 9 2HG ARG 9 -1.269 -1.656 -1.656 69 2HG ARG 9 1HG ARG 9 0.227 -1.617 -1.617 70 1HD ARG 9 2HD ARG 9 0.573 -4.021 -4.021 71 2HD ARG 9 1HD ARG 9 -0.827 -4.115 -4.115 72 HE ARG 9 HE ARG 9 -0.857 -3.991 -3.991 73 1HH1 ARG 9 1HH2 ARG 9 -2.634 -3.376 -3.376 74 2HH1 ARG 9 2HH2 ARG 9 -4.175 -3.498 -3.498 75 1HH2 ARG 9 2HH1 ARG 9 -2.793 -4.141 -4.141 76 2HH2 ARG 9 1HH1 ARG 9 -4.265 -3.935 -3.935 77 H LYS 10 H LYS 10 -1.729 0.698 0.698 78 HA LYS 10 HA LYS 10 -2.118 1.634 1.634 79 1HB LYS 10 2HB LYS 10 -4.588 1.368 1.368 80 2HB LYS 10 1HB LYS 10 -3.676 2.157 2.157 81 1HG LYS 10 2HG LYS 10 -3.819 0.376 0.376 82 2HG LYS 10 1HG LYS 10 -4.006 -0.833 -0.833 83 1HD LYS 10 2HD LYS 10 -6.160 1.265 1.265 84 2HD LYS 10 1HD LYS 10 -6.094 -0.137 -0.137 85 1HE LYS 10 2HE LYS 10 -6.018 -0.511 -0.511 86 2HE LYS 10 1HE LYS 10 -7.548 -0.290 -0.290 87 1HZ LYS 10 1HZ LYS 10 -5.551 -2.321 -2.321 88 2HZ LYS 10 3HZ LYS 10 -6.825 -2.627 -2.627 89 3HZ LYS 10 2HZ LYS 10 -7.163 -2.183 -2.183 90 H THR 11 H THR 11 -2.471 -1.677 -1.677 91 HA THR 11 HA THR 11 -3.348 -2.471 -2.471 92 HB THR 11 HB THR 11 -4.913 -3.085 -3.085 93 HG1 THR 11 HG1 THR 11 -3.570 -5.408 -5.408 94 1HG2 THR 11 3HG2 THR 11 -2.881 -3.464 -3.464 95 2HG2 THR 11 2HG2 THR 11 -2.821 -5.071 -5.071 96 3HG2 THR 11 1HG2 THR 11 -4.278 -4.518 -4.518 97 H SER 12 H SER 12 -0.675 -1.794 -1.794 98 HA SER 12 HA SER 12 0.698 -4.430 -4.430 99 1HB SER 12 2HB SER 12 1.317 -3.401 -3.401 100 2HB SER 12 1HB SER 12 1.893 -1.954 -1.954 101 HG SER 12 HG SER 12 3.651 -3.085 -3.085 102 H TYR 13 H TYR 13 0.746 -0.992 -0.992 103 HA TYR 13 HA TYR 13 1.670 0.245 0.245 104 1HB TYR 13 2HB TYR 13 0.906 -2.306 -2.306 105 2HB TYR 13 1HB TYR 13 1.168 -0.735 -0.735 106 HD1 TYR 13 HD2 TYR 13 -0.300 1.225 1.225 107 HD2 TYR 13 HD1 TYR 13 -1.223 -2.839 -2.839 108 HE1 TYR 13 HE2 TYR 13 -2.610 1.857 1.857 109 HE2 TYR 13 HE1 TYR 13 -3.534 -2.206 -2.206 110 HH TYR 13 HH TYR 13 -4.607 1.172 1.172 111 H ASP 14 H ASP 14 3.451 -1.176 -1.176 112 HA ASP 14 HA ASP 14 5.455 -2.645 -2.645 113 1HB ASP 14 2HB ASP 14 4.992 -2.030 -2.030 114 2HB ASP 14 1HB ASP 14 6.224 -0.828 -0.828 115 H CYS 15 H CYS 15 4.664 0.588 0.588 116 HA CYS 15 HA CYS 15 7.253 1.714 1.714 117 1HB CYS 15 2HB CYS 15 4.760 2.904 2.904 118 2HB CYS 15 1HB CYS 15 6.078 3.662 3.662 119 H CYS 16 H CYS 16 8.096 2.254 2.254 120 HA CYS 16 HA CYS 16 8.355 0.362 0.362 121 1HB CYS 16 2HB CYS 16 8.772 3.204 3.204 122 2HB CYS 16 1HB CYS 16 9.165 2.483 2.483 123 H SER 17 H SER 17 6.754 3.354 3.354 124 HA SER 17 HA SER 17 5.316 2.852 2.852 125 1HB SER 17 2HB SER 17 4.204 5.082 5.082 126 2HB SER 17 1HB SER 17 5.968 5.164 5.164 127 HG SER 17 HG SER 17 4.201 4.577 4.577 128 H GLY 18 H GLY 18 4.646 2.179 2.179 129 1HA GLY 18 2HA GLY 18 2.859 0.951 0.951 130 2HA GLY 18 1HA GLY 18 2.092 0.886 0.886 131 H SER 19 H SER 19 1.762 2.233 2.233 132 HA SER 19 HA SER 19 -0.249 4.126 4.126 133 1HB SER 19 2HB SER 19 0.889 6.149 6.149 134 2HB SER 19 1HB SER 19 1.860 5.350 5.350 135 HG SER 19 HG SER 19 2.965 4.229 4.229 136 H CYS 20 H CYS 20 1.613 3.125 3.125 137 HA CYS 20 HA CYS 20 0.813 3.841 3.841 138 1HB CYS 20 2HB CYS 20 0.355 0.935 0.935 139 2HB CYS 20 1HB CYS 20 0.725 1.638 1.638 140 H GLY 21 H GLY 21 -0.784 4.544 4.544 141 1HA GLY 21 2HA GLY 21 -3.069 3.687 3.687 142 2HA GLY 21 1HA GLY 21 -3.602 3.910 3.910 143 H ARG 22 H ARG 22 -1.135 5.871 5.871 144 HA ARG 22 HA ARG 22 -2.783 8.323 8.323 145 1HB ARG 22 2HB ARG 22 -0.420 7.794 7.794 146 2HB ARG 22 1HB ARG 22 0.214 8.260 8.260 147 1HG ARG 22 2HG ARG 22 -0.645 10.478 10.478 148 2HG ARG 22 1HG ARG 22 -1.740 10.046 10.046 149 1HD ARG 22 2HD ARG 22 0.023 9.909 9.909 150 2HD ARG 22 1HD ARG 22 1.256 9.717 9.717 151 HE ARG 22 HE ARG 22 1.321 12.039 12.039 152 1HH1 ARG 22 1HH2 ARG 22 -1.408 11.122 11.122 153 2HH1 ARG 22 2HH2 ARG 22 -1.774 12.752 12.752 154 1HH2 ARG 22 2HH1 ARG 22 0.873 14.102 14.102 155 2HH2 ARG 22 1HH1 ARG 22 -0.465 14.466 14.466 156 H SER 23 H SER 23 -3.043 6.444 6.444 157 HA SER 23 HA SER 23 -3.583 6.386 6.386 158 1HB SER 23 2HB SER 23 -3.613 8.416 8.416 159 2HB SER 23 1HB SER 23 -3.578 9.079 9.079 160 HG SER 23 HG SER 23 -1.905 10.060 10.060 161 H GLY 24 H GLY 24 -1.407 5.150 5.150 162 1HA GLY 24 2HA GLY 24 0.133 3.635 3.635 163 2HA GLY 24 1HA GLY 24 0.365 4.780 4.780 164 H LYS 25 H LYS 25 0.369 5.691 5.691 165 HA LYS 25 HA LYS 25 3.308 5.826 5.826 166 1HB LYS 25 2HB LYS 25 3.234 8.001 8.001 167 2HB LYS 25 1HB LYS 25 1.496 8.185 8.185 168 1HG LYS 25 2HG LYS 25 2.302 8.436 8.436 169 2HG LYS 25 1HG LYS 25 3.895 8.383 8.383 170 1HD LYS 25 2HD LYS 25 1.833 10.347 10.347 171 2HD LYS 25 1HD LYS 25 2.657 10.728 10.728 172 1HE LYS 25 2HE LYS 25 4.705 11.064 11.064 173 2HE LYS 25 1HE LYS 25 4.414 9.876 9.876 174 1HZ LYS 25 3HZ LYS 25 3.093 12.517 12.517 175 2HZ LYS 25 2HZ LYS 25 4.410 12.140 12.140 176 3HZ LYS 25 1HZ LYS 25 2.912 11.379 11.379 177 H CYS 26 H CYS 26 4.016 6.202 6.202 178 HA CYS 26 HA CYS 26 2.513 4.759 4.759 179 1HB CYS 26 2HB CYS 26 4.927 6.542 6.542 180 2HB CYS 26 1HB CYS 26 4.291 5.807 5.807 181 1HN NH2 27 1HT CYS 26 0.502 5.557 5.557 182 2HN NH2 27 2HT CYS 26 0.230 7.102 7.102 Start of MODEL 2 1 1H CYS 1 1H CYS 1 12.277 -0.378 -0.378 2 2H CYS 1 3H CYS 1 11.723 -1.985 -1.985 3 3H CYS 1 2H CYS 1 12.208 -1.247 -1.247 4 HA CYS 1 HA CYS 1 9.840 -1.314 -1.314 5 1HB CYS 1 2HB CYS 1 8.769 0.119 0.119 6 2HB CYS 1 1HB CYS 1 9.292 -1.488 -1.488 7 H LYS 2 H LYS 2 8.396 0.870 0.870 8 HA LYS 2 HA LYS 2 10.075 2.818 2.818 9 1HB LYS 2 2HB LYS 2 7.042 2.767 2.767 10 2HB LYS 2 1HB LYS 2 8.107 3.389 3.389 11 1HG LYS 2 2HG LYS 2 7.963 0.423 0.423 12 2HG LYS 2 1HG LYS 2 7.003 1.191 1.191 13 1HD LYS 2 2HD LYS 2 9.287 2.071 2.071 14 2HD LYS 2 1HD LYS 2 10.032 0.902 0.902 15 1HE LYS 2 2HE LYS 2 7.811 -0.129 -0.129 16 2HE LYS 2 1HE LYS 2 9.321 0.287 0.287 17 1HZ LYS 2 3HZ LYS 2 9.553 -1.250 -1.250 18 2HZ LYS 2 2HZ LYS 2 8.852 -2.051 -2.051 19 3HZ LYS 2 1HZ LYS 2 10.409 -1.385 -1.385 20 H LEU 3 H LEU 3 10.270 4.917 4.917 21 HA LEU 3 HA LEU 3 9.645 5.721 5.721 22 1HB LEU 3 2HB LEU 3 11.644 6.268 6.268 23 2HB LEU 3 1HB LEU 3 10.604 7.421 7.421 24 HG LEU 3 HG LEU 3 10.447 7.795 7.795 25 1HD1 LEU 3 3HD1 LEU 3 13.253 7.888 7.888 26 2HD1 LEU 3 2HD1 LEU 3 12.785 8.496 8.496 27 3HD1 LEU 3 1HD1 LEU 3 12.693 6.778 6.778 28 1HD2 LEU 3 1HD2 LEU 3 9.921 9.434 9.434 29 2HD2 LEU 3 3HD2 LEU 3 11.048 10.077 10.077 30 3HD2 LEU 3 2HD2 LEU 3 11.632 9.512 9.512 31 H LYS 4 H LYS 4 8.792 8.242 8.242 32 HA LYS 4 HA LYS 4 5.983 8.036 8.036 33 1HB LYS 4 2HB LYS 4 7.247 9.441 9.441 34 2HB LYS 4 1HB LYS 4 7.495 10.629 10.629 35 1HG LYS 4 2HG LYS 4 4.689 9.556 9.556 36 2HG LYS 4 1HG LYS 4 5.317 10.631 10.631 37 1HD LYS 4 2HD LYS 4 5.677 11.532 11.532 38 2HD LYS 4 1HD LYS 4 4.035 11.505 11.505 39 1HE LYS 4 2HE LYS 4 6.296 12.846 12.846 40 2HE LYS 4 1HE LYS 4 5.315 13.701 13.701 41 1HZ LYS 4 1HZ LYS 4 4.084 12.194 12.194 42 2HZ LYS 4 3HZ LYS 4 4.607 13.798 13.798 43 3HZ LYS 4 2HZ LYS 4 3.409 13.426 13.426 44 H GLY 5 H GLY 5 4.872 8.589 8.589 45 1HA GLY 5 2HA GLY 5 4.187 9.251 9.251 46 2HA GLY 5 1HA GLY 5 5.301 10.602 10.602 47 H GLN 6 H GLN 6 6.388 7.338 7.338 48 HA GLN 6 HA GLN 6 8.053 7.606 7.606 49 1HB GLN 6 2HB GLN 6 9.026 6.870 6.870 50 2HB GLN 6 1HB GLN 6 7.994 5.457 5.457 51 1HG GLN 6 2HG GLN 6 10.289 4.915 4.915 52 2HG GLN 6 1HG GLN 6 9.143 4.664 4.664 53 1HE2 GLN 6 2HE2 GLN 6 11.720 7.872 7.872 54 2HE2 GLN 6 1HE2 GLN 6 11.291 7.230 7.230 55 H SER 7 H SER 7 8.207 5.797 5.797 56 HA SER 7 HA SER 7 5.709 5.021 5.021 57 1HB SER 7 2HB SER 7 7.130 3.477 3.477 58 2HB SER 7 1HB SER 7 7.677 5.161 5.161 59 HG SER 7 HG SER 7 9.075 4.586 4.586 60 H CYS 8 H CYS 8 4.386 3.716 3.716 61 HA CYS 8 HA CYS 8 5.150 1.014 1.014 62 1HB CYS 8 2HB CYS 8 3.794 1.290 1.290 63 2HB CYS 8 1HB CYS 8 4.980 2.569 2.569 64 H ARG 9 H ARG 9 2.686 0.194 0.194 65 HA ARG 9 HA ARG 9 0.794 0.733 0.733 66 1HB ARG 9 2HB ARG 9 2.015 -1.946 -1.946 67 2HB ARG 9 1HB ARG 9 0.451 -1.864 -1.864 68 1HG ARG 9 2HG ARG 9 1.395 -0.735 -0.735 69 2HG ARG 9 1HG ARG 9 2.946 -0.536 -0.536 70 1HD ARG 9 2HD ARG 9 1.717 -3.255 -3.255 71 2HD ARG 9 1HD ARG 9 2.929 -2.463 -2.463 72 HE ARG 9 HE ARG 9 3.909 -2.500 -2.500 73 1HH1 ARG 9 2HH1 ARG 9 3.105 -4.684 -4.684 74 2HH1 ARG 9 1HH1 ARG 9 4.265 -5.871 -5.871 75 1HH2 ARG 9 1HH2 ARG 9 5.380 -3.980 -3.980 76 2HH2 ARG 9 2HH2 ARG 9 5.575 -5.468 -5.468 77 H LYS 10 H LYS 10 -1.262 0.787 0.787 78 HA LYS 10 HA LYS 10 -1.903 0.730 0.730 79 1HB LYS 10 2HB LYS 10 -4.327 0.833 0.833 80 2HB LYS 10 1HB LYS 10 -3.276 2.152 2.152 81 1HG LYS 10 2HG LYS 10 -3.202 -0.145 -0.145 82 2HG LYS 10 1HG LYS 10 -4.768 0.620 0.620 83 1HD LYS 10 2HD LYS 10 -3.949 2.742 2.742 84 2HD LYS 10 1HD LYS 10 -2.275 2.311 2.311 85 1HE LYS 10 2HE LYS 10 -2.316 0.716 0.716 86 2HE LYS 10 1HE LYS 10 -4.020 1.060 1.060 87 1HZ LYS 10 3HZ LYS 10 -3.335 3.428 3.428 88 2HZ LYS 10 2HZ LYS 10 -1.724 2.890 2.890 89 3HZ LYS 10 1HZ LYS 10 -2.817 2.348 2.348 90 H THR 11 H THR 11 -3.222 -0.832 -0.832 91 HA THR 11 HA THR 11 -4.037 -2.961 -2.961 92 HB THR 11 HB THR 11 -3.638 -3.827 -3.827 93 HG1 THR 11 HG1 THR 11 -4.713 -1.904 -1.904 94 1HG2 THR 11 2HG2 THR 11 -5.756 -4.373 -4.373 95 2HG2 THR 11 1HG2 THR 11 -5.761 -4.995 -4.995 96 3HG2 THR 11 3HG2 THR 11 -4.519 -5.518 -5.518 97 H SER 12 H SER 12 -1.024 -2.380 -2.380 98 HA SER 12 HA SER 12 0.095 -5.026 -5.026 99 1HB SER 12 2HB SER 12 0.564 -4.020 -4.020 100 2HB SER 12 1HB SER 12 1.505 -2.766 -2.766 101 HG SER 12 HG SER 12 2.767 -4.342 -4.342 102 H TYR 13 H TYR 13 0.147 -1.638 -1.638 103 HA TYR 13 HA TYR 13 1.184 -0.351 -0.351 104 1HB TYR 13 2HB TYR 13 0.791 -3.034 -3.034 105 2HB TYR 13 1HB TYR 13 1.336 -1.590 -1.590 106 HD1 TYR 13 HD2 TYR 13 -1.459 -2.956 -2.956 107 HD2 TYR 13 HD1 TYR 13 -0.186 0.141 0.141 108 HE1 TYR 13 HE2 TYR 13 -3.763 -2.140 -2.140 109 HE2 TYR 13 HE1 TYR 13 -2.489 0.958 0.958 110 HH TYR 13 HH TYR 13 -5.136 -0.659 -0.659 111 H ASP 14 H ASP 14 2.869 -1.248 -1.248 112 HA ASP 14 HA ASP 14 5.207 -2.606 -2.606 113 1HB ASP 14 2HB ASP 14 4.323 -1.587 -1.587 114 2HB ASP 14 1HB ASP 14 5.422 -0.289 -0.289 115 H CYS 15 H CYS 15 4.164 0.587 0.587 116 HA CYS 15 HA CYS 15 6.714 1.726 1.726 117 1HB CYS 15 2HB CYS 15 4.245 2.699 2.699 118 2HB CYS 15 1HB CYS 15 5.562 3.581 3.581 119 H CYS 16 H CYS 16 7.528 2.282 2.282 120 HA CYS 16 HA CYS 16 7.954 0.350 0.350 121 1HB CYS 16 2HB CYS 16 8.241 3.223 3.223 122 2HB CYS 16 1HB CYS 16 8.826 2.439 2.439 123 H SER 17 H SER 17 6.362 3.353 3.353 124 HA SER 17 HA SER 17 4.923 2.752 2.752 125 1HB SER 17 2HB SER 17 5.749 5.085 5.085 126 2HB SER 17 1HB SER 17 4.438 5.124 5.124 127 HG SER 17 HG SER 17 2.968 4.953 4.953 128 H GLY 18 H GLY 18 4.354 1.924 1.924 129 1HA GLY 18 2HA GLY 18 2.522 0.931 0.931 130 2HA GLY 18 1HA GLY 18 1.747 0.825 0.825 131 H SER 19 H SER 19 2.932 3.756 3.756 132 HA SER 19 HA SER 19 0.459 5.183 5.183 133 1HB SER 19 2HB SER 19 3.256 5.774 5.774 134 2HB SER 19 1HB SER 19 2.208 6.692 6.692 135 HG SER 19 HG SER 19 1.713 7.858 7.858 136 H CYS 20 H CYS 20 1.650 3.291 3.291 137 HA CYS 20 HA CYS 20 0.808 4.394 4.394 138 1HB CYS 20 2HB CYS 20 1.757 1.986 1.986 139 2HB CYS 20 1HB CYS 20 0.089 1.541 1.541 140 H GLY 21 H GLY 21 -0.852 4.695 4.695 141 1HA GLY 21 2HA GLY 21 -3.328 3.708 3.708 142 2HA GLY 21 1HA GLY 21 -3.537 4.602 4.602 143 H ARG 22 H ARG 22 -1.235 6.019 6.019 144 HA ARG 22 HA ARG 22 -3.081 8.200 8.200 145 1HB ARG 22 2HB ARG 22 -0.618 8.256 8.256 146 2HB ARG 22 1HB ARG 22 -0.129 8.372 8.372 147 1HG ARG 22 2HG ARG 22 -0.545 10.593 10.593 148 2HG ARG 22 1HG ARG 22 -2.244 10.200 10.200 149 1HD ARG 22 2HD ARG 22 -2.488 10.444 10.444 150 2HD ARG 22 1HD ARG 22 -0.787 10.113 10.113 151 HE ARG 22 HE ARG 22 -1.014 12.492 12.492 152 1HH1 ARG 22 1HH2 ARG 22 -1.562 11.247 11.247 153 2HH1 ARG 22 2HH2 ARG 22 -1.317 12.780 12.780 154 1HH2 ARG 22 2HH1 ARG 22 -0.707 14.443 14.443 155 2HH2 ARG 22 1HH1 ARG 22 -0.829 14.621 14.621 156 H SER 23 H SER 23 -3.006 5.662 5.662 157 HA SER 23 HA SER 23 -3.416 4.776 4.776 158 1HB SER 23 2HB SER 23 -3.987 6.241 6.241 159 2HB SER 23 1HB SER 23 -4.131 7.343 7.343 160 HG SER 23 HG SER 23 -2.498 8.407 8.407 161 H GLY 24 H GLY 24 -0.783 4.849 4.849 162 1HA GLY 24 2HA GLY 24 0.897 3.290 3.290 163 2HA GLY 24 1HA GLY 24 1.006 4.519 4.519 164 H LYS 25 H LYS 25 0.515 5.954 5.954 165 HA LYS 25 HA LYS 25 3.433 6.274 6.274 166 1HB LYS 25 2HB LYS 25 3.163 8.298 8.298 167 2HB LYS 25 1HB LYS 25 1.419 8.337 8.337 168 1HG LYS 25 2HG LYS 25 2.042 8.920 8.920 169 2HG LYS 25 1HG LYS 25 3.657 9.121 9.121 170 1HD LYS 25 2HD LYS 25 3.094 10.985 10.985 171 2HD LYS 25 1HD LYS 25 1.401 10.557 10.557 172 1HE LYS 25 2HE LYS 25 1.494 12.417 12.417 173 2HE LYS 25 1HE LYS 25 1.254 11.008 11.008 174 1HZ LYS 25 2HZ LYS 25 4.014 11.619 11.619 175 2HZ LYS 25 1HZ LYS 25 3.182 12.825 12.825 176 3HZ LYS 25 3HZ LYS 25 3.234 11.236 11.236 177 H CYS 26 H CYS 26 3.945 6.867 6.867 178 HA CYS 26 HA CYS 26 2.185 5.620 5.620 179 1HB CYS 26 2HB CYS 26 4.911 6.867 6.867 180 2HB CYS 26 1HB CYS 26 4.146 5.967 5.967 181 1HN NH2 27 1HT CYS 26 0.413 7.215 7.215 182 2HN NH2 27 2HT CYS 26 0.516 8.664 8.664 Start of MODEL 3 1 1H CYS 1 3H CYS 1 12.364 -0.464 -0.464 2 2H CYS 1 2H CYS 1 11.682 -1.985 -1.985 3 3H CYS 1 1H CYS 1 12.230 -1.619 -1.619 4 HA CYS 1 HA CYS 1 9.882 -1.473 -1.473 5 1HB CYS 1 2HB CYS 1 8.833 0.278 0.278 6 2HB CYS 1 1HB CYS 1 9.322 -1.225 -1.225 7 H LYS 2 H LYS 2 8.595 0.746 0.746 8 HA LYS 2 HA LYS 2 10.428 2.362 2.362 9 1HB LYS 2 2HB LYS 2 7.394 2.126 2.126 10 2HB LYS 2 1HB LYS 2 8.385 3.002 3.002 11 1HG LYS 2 2HG LYS 2 9.068 0.097 0.097 12 2HG LYS 2 1HG LYS 2 7.566 0.457 0.457 13 1HD LYS 2 2HD LYS 2 8.965 2.030 2.030 14 2HD LYS 2 1HD LYS 2 10.375 1.241 1.241 15 1HE LYS 2 2HE LYS 2 8.085 -0.275 -0.275 16 2HE LYS 2 1HE LYS 2 9.559 0.194 0.194 17 1HZ LYS 2 2HZ LYS 2 9.633 -1.356 -1.356 18 2HZ LYS 2 1HZ LYS 2 9.463 -2.108 -2.108 19 3HZ LYS 2 3HZ LYS 2 10.846 -1.179 -1.179 20 H LEU 3 H LEU 3 10.392 4.600 4.600 21 HA LEU 3 HA LEU 3 9.874 5.818 5.818 22 1HB LEU 3 2HB LEU 3 11.694 6.359 6.359 23 2HB LEU 3 1HB LEU 3 10.494 7.049 7.049 24 HG LEU 3 HG LEU 3 10.202 8.221 8.221 25 1HD1 LEU 3 1HD1 LEU 3 12.981 8.402 8.402 26 2HD1 LEU 3 3HD1 LEU 3 12.387 9.376 9.376 27 3HD1 LEU 3 2HD1 LEU 3 12.572 7.641 7.641 28 1HD2 LEU 3 3HD2 LEU 3 9.570 9.071 9.071 29 2HD2 LEU 3 2HD2 LEU 3 10.232 10.248 10.248 30 3HD2 LEU 3 1HD2 LEU 3 11.248 9.556 9.556 31 H LYS 4 H LYS 4 8.465 7.735 7.735 32 HA LYS 4 HA LYS 4 5.770 7.197 7.197 33 1HB LYS 4 2HB LYS 4 6.504 8.400 8.400 34 2HB LYS 4 1HB LYS 4 6.851 9.808 9.808 35 1HG LYS 4 2HG LYS 4 4.631 10.092 10.092 36 2HG LYS 4 1HG LYS 4 4.444 9.778 9.778 37 1HD LYS 4 2HD LYS 4 3.164 7.945 7.945 38 2HD LYS 4 1HD LYS 4 4.430 7.216 7.216 39 1HE LYS 4 2HE LYS 4 2.455 7.462 7.462 40 2HE LYS 4 1HE LYS 4 3.665 8.599 8.599 41 1HZ LYS 4 1HZ LYS 4 1.544 9.325 9.325 42 2HZ LYS 4 3HZ LYS 4 1.377 9.498 9.498 43 3HZ LYS 4 2HZ LYS 4 2.577 10.370 10.370 44 H GLY 5 H GLY 5 4.701 7.862 7.862 45 1HA GLY 5 2HA GLY 5 4.061 9.089 9.089 46 2HA GLY 5 1HA GLY 5 5.319 10.253 10.253 47 H GLN 6 H GLN 6 6.272 6.964 6.964 48 HA GLN 6 HA GLN 6 7.855 7.369 7.369 49 1HB GLN 6 2HB GLN 6 8.774 6.343 6.343 50 2HB GLN 6 1HB GLN 6 7.747 4.949 4.949 51 1HG GLN 6 2HG GLN 6 9.000 4.264 4.264 52 2HG GLN 6 1HG GLN 6 9.612 5.880 5.880 53 1HE2 GLN 6 2HE2 GLN 6 12.277 5.643 5.643 54 2HE2 GLN 6 1HE2 GLN 6 11.285 6.733 6.733 55 H SER 7 H SER 7 7.464 6.349 6.349 56 HA SER 7 HA SER 7 4.947 5.600 5.600 57 1HB SER 7 2HB SER 7 6.110 4.555 4.555 58 2HB SER 7 1HB SER 7 6.669 6.195 6.195 59 HG SER 7 HG SER 7 8.292 4.400 4.400 60 H CYS 8 H CYS 8 3.692 4.060 4.060 61 HA CYS 8 HA CYS 8 4.432 1.233 1.233 62 1HB CYS 8 2HB CYS 8 3.752 0.667 0.667 63 2HB CYS 8 1HB CYS 8 5.215 1.570 1.570 64 H ARG 9 H ARG 9 2.756 -0.147 -0.147 65 HA ARG 9 HA ARG 9 0.256 0.820 0.820 66 1HB ARG 9 2HB ARG 9 1.397 -1.863 -1.863 67 2HB ARG 9 1HB ARG 9 -0.348 -1.760 -1.760 68 1HG ARG 9 2HG ARG 9 0.317 -2.390 -2.390 69 2HG ARG 9 1HG ARG 9 -0.001 -0.677 -0.677 70 1HD ARG 9 2HD ARG 9 2.715 -0.674 -0.674 71 2HD ARG 9 1HD ARG 9 2.567 -2.163 -2.163 72 HE ARG 9 HE ARG 9 2.075 -0.920 -0.920 73 1HH1 ARG 9 2HH1 ARG 9 2.046 1.101 1.101 74 2HH1 ARG 9 1HH1 ARG 9 1.992 2.569 2.569 75 1HH2 ARG 9 1HH2 ARG 9 2.004 0.920 0.920 76 2HH2 ARG 9 2HH2 ARG 9 1.964 2.465 2.465 77 H LYS 10 H LYS 10 -1.678 1.114 1.114 78 HA LYS 10 HA LYS 10 -1.989 2.069 2.069 79 1HB LYS 10 2HB LYS 10 -4.463 1.370 1.370 80 2HB LYS 10 1HB LYS 10 -3.787 2.412 2.412 81 1HG LYS 10 2HG LYS 10 -3.842 0.778 0.778 82 2HG LYS 10 1HG LYS 10 -3.525 -0.531 -0.531 83 1HD LYS 10 2HD LYS 10 -5.779 -0.810 -0.810 84 2HD LYS 10 1HD LYS 10 -5.875 -0.266 -0.266 85 1HE LYS 10 2HE LYS 10 -6.319 2.059 2.059 86 2HE LYS 10 1HE LYS 10 -6.138 1.547 1.547 87 1HZ LYS 10 2HZ LYS 10 -8.118 0.319 0.319 88 2HZ LYS 10 1HZ LYS 10 -8.461 1.712 1.712 89 3HZ LYS 10 3HZ LYS 10 -8.056 0.263 0.263 90 H THR 11 H THR 11 -2.355 1.411 1.411 91 HA THR 11 HA THR 11 -2.087 0.087 0.087 92 HB THR 11 HB THR 11 -4.558 0.080 0.080 93 HG1 THR 11 HG1 THR 11 -4.894 -1.794 -1.794 94 1HG2 THR 11 1HG2 THR 11 -3.886 -2.599 -2.599 95 2HG2 THR 11 3HG2 THR 11 -5.480 -2.216 -2.216 96 3HG2 THR 11 2HG2 THR 11 -4.794 -1.262 -1.262 97 H SER 12 H SER 12 -0.247 -0.785 -0.785 98 HA SER 12 HA SER 12 -0.168 -3.686 -3.686 99 1HB SER 12 2HB SER 12 1.724 -1.519 -1.519 100 2HB SER 12 1HB SER 12 2.096 -3.239 -3.239 101 HG SER 12 HG SER 12 0.912 -2.998 -2.998 102 H TYR 13 H TYR 13 0.444 -1.537 -1.537 103 HA TYR 13 HA TYR 13 1.636 -1.518 -1.518 104 1HB TYR 13 2HB TYR 13 1.745 -4.509 -4.509 105 2HB TYR 13 1HB TYR 13 1.948 -3.764 -3.764 106 HD1 TYR 13 HD1 TYR 13 -0.042 -2.251 -2.251 107 HD2 TYR 13 HD2 TYR 13 -0.409 -5.120 -5.120 108 HE1 TYR 13 HE1 TYR 13 -2.471 -2.268 -2.268 109 HE2 TYR 13 HE2 TYR 13 -2.835 -5.134 -5.134 110 HH TYR 13 HH TYR 13 -4.565 -4.284 -4.284 111 H ASP 14 H ASP 14 3.082 -1.506 -1.506 112 HA ASP 14 HA ASP 14 5.686 -2.673 -2.673 113 1HB ASP 14 2HB ASP 14 4.338 -1.616 -1.616 114 2HB ASP 14 1HB ASP 14 5.603 -0.464 -0.464 115 H CYS 15 H CYS 15 4.222 0.111 0.111 116 HA CYS 15 HA CYS 15 6.745 1.611 1.611 117 1HB CYS 15 2HB CYS 15 4.208 2.661 2.661 118 2HB CYS 15 1HB CYS 15 5.524 3.464 3.464 119 H CYS 16 H CYS 16 7.522 2.484 2.484 120 HA CYS 16 HA CYS 16 8.066 1.066 1.066 121 1HB CYS 16 2HB CYS 16 8.393 3.769 3.769 122 2HB CYS 16 1HB CYS 16 8.937 3.443 3.443 123 H SER 17 H SER 17 6.402 4.030 4.030 124 HA SER 17 HA SER 17 5.299 4.280 4.280 125 1HB SER 17 2HB SER 17 4.452 5.701 5.701 126 2HB SER 17 1HB SER 17 4.098 6.243 6.243 127 HG SER 17 HG SER 17 5.996 7.098 7.098 128 H GLY 18 H GLY 18 4.404 2.092 2.092 129 1HA GLY 18 2HA GLY 18 2.385 0.778 0.778 130 2HA GLY 18 1HA GLY 18 1.490 2.231 2.231 131 H SER 19 H SER 19 0.771 2.501 2.501 132 HA SER 19 HA SER 19 1.747 0.684 0.684 133 1HB SER 19 2HB SER 19 -0.482 -0.152 -0.152 134 2HB SER 19 1HB SER 19 -0.333 -0.252 -0.252 135 HG SER 19 HG SER 19 -1.172 1.995 1.995 136 H CYS 20 H CYS 20 0.113 1.135 1.135 137 HA CYS 20 HA CYS 20 0.570 3.965 3.965 138 1HB CYS 20 2HB CYS 20 -0.058 1.591 1.591 139 2HB CYS 20 1HB CYS 20 0.697 3.079 3.079 140 H GLY 21 H GLY 21 -1.058 4.447 4.447 141 1HA GLY 21 2HA GLY 21 -3.646 3.783 3.783 142 2HA GLY 21 1HA GLY 21 -3.716 4.565 4.565 143 H ARG 22 H ARG 22 -1.292 5.915 5.915 144 HA ARG 22 HA ARG 22 -2.899 8.351 8.351 145 1HB ARG 22 2HB ARG 22 0.051 7.695 7.695 146 2HB ARG 22 1HB ARG 22 -0.523 9.231 9.231 147 1HG ARG 22 2HG ARG 22 -1.671 8.580 8.580 148 2HG ARG 22 1HG ARG 22 0.077 8.600 8.600 149 1HD ARG 22 2HD ARG 22 -0.490 10.877 10.877 150 2HD ARG 22 1HD ARG 22 -0.134 10.882 10.882 151 HE ARG 22 HE ARG 22 -2.454 11.070 11.070 152 1HH1 ARG 22 2HH1 ARG 22 -1.852 10.799 10.799 153 2HH1 ARG 22 1HH1 ARG 22 -3.443 11.328 11.328 154 1HH2 ARG 22 1HH2 ARG 22 -4.463 11.733 11.733 155 2HH2 ARG 22 2HH2 ARG 22 -4.940 11.860 11.860 156 H SER 23 H SER 23 -3.103 5.856 5.856 157 HA SER 23 HA SER 23 -3.555 5.095 5.095 158 1HB SER 23 2HB SER 23 -4.356 6.699 6.699 159 2HB SER 23 1HB SER 23 -4.594 7.546 7.546 160 HG SER 23 HG SER 23 -2.699 7.939 7.939 161 H GLY 24 H GLY 24 -0.932 5.053 5.053 162 1HA GLY 24 2HA GLY 24 0.719 3.845 3.845 163 2HA GLY 24 1HA GLY 24 0.719 5.332 5.332 164 H LYS 25 H LYS 25 0.436 5.593 5.593 165 HA LYS 25 HA LYS 25 3.340 5.963 5.963 166 1HB LYS 25 2HB LYS 25 3.152 8.161 8.161 167 2HB LYS 25 1HB LYS 25 1.406 8.225 8.225 168 1HG LYS 25 2HG LYS 25 2.018 8.381 8.381 169 2HG LYS 25 1HG LYS 25 3.667 8.433 8.433 170 1HD LYS 25 2HD LYS 25 1.555 10.390 10.390 171 2HD LYS 25 1HD LYS 25 2.446 10.702 10.702 172 1HE LYS 25 2HE LYS 25 4.253 11.439 11.439 173 2HE LYS 25 1HE LYS 25 4.315 9.977 9.977 174 1HZ LYS 25 1HZ LYS 25 2.499 10.908 10.908 175 2HZ LYS 25 3HZ LYS 25 2.649 12.364 12.364 176 3HZ LYS 25 2HZ LYS 25 3.947 11.793 11.793 177 H CYS 26 H CYS 26 3.956 6.268 6.268 178 HA CYS 26 HA CYS 26 2.397 4.652 4.652 179 1HB CYS 26 2HB CYS 26 4.948 6.191 6.191 180 2HB CYS 26 1HB CYS 26 4.203 5.493 5.493 181 1HN NH2 27 1HT CYS 26 0.911 5.277 5.277 182 2HN NH2 27 2HT CYS 26 0.612 6.857 6.857 Start of MODEL 4 1 1H CYS 1 1H CYS 1 12.265 -0.217 -0.217 2 2H CYS 1 3H CYS 1 11.667 -1.779 -1.779 3 3H CYS 1 2H CYS 1 12.161 -1.348 -1.348 4 HA CYS 1 HA CYS 1 9.804 -1.331 -1.331 5 1HB CYS 1 2HB CYS 1 8.725 0.375 0.375 6 2HB CYS 1 1HB CYS 1 9.293 -1.108 -1.108 7 H LYS 2 H LYS 2 8.401 0.752 0.752 8 HA LYS 2 HA LYS 2 10.073 2.426 2.426 9 1HB LYS 2 2HB LYS 2 7.037 2.366 2.366 10 2HB LYS 2 1HB LYS 2 8.028 2.972 2.972 11 1HG LYS 2 2HG LYS 2 8.220 0.044 0.044 12 2HG LYS 2 1HG LYS 2 6.910 0.611 0.611 13 1HD LYS 2 2HD LYS 2 8.640 1.617 1.617 14 2HD LYS 2 1HD LYS 2 9.885 0.854 0.854 15 1HE LYS 2 2HE LYS 2 8.881 -1.377 -1.377 16 2HE LYS 2 1HE LYS 2 7.625 -0.613 -0.613 17 1HZ LYS 2 1HZ LYS 2 10.530 -0.455 -0.455 18 2HZ LYS 2 3HZ LYS 2 9.429 -1.471 -1.471 19 3HZ LYS 2 2HZ LYS 2 9.291 0.216 0.216 20 H LEU 3 H LEU 3 10.397 4.549 4.549 21 HA LEU 3 HA LEU 3 9.887 5.811 5.811 22 1HB LEU 3 2HB LEU 3 11.735 6.292 6.292 23 2HB LEU 3 1HB LEU 3 10.604 6.968 6.968 24 HG LEU 3 HG LEU 3 10.357 8.218 8.218 25 1HD1 LEU 3 2HD1 LEU 3 12.989 8.458 8.458 26 2HD1 LEU 3 1HD1 LEU 3 12.504 9.461 9.461 27 3HD1 LEU 3 3HD1 LEU 3 12.776 7.740 7.740 28 1HD2 LEU 3 2HD2 LEU 3 9.476 8.962 8.962 29 2HD2 LEU 3 1HD2 LEU 3 10.169 10.200 10.200 30 3HD2 LEU 3 3HD2 LEU 3 11.109 9.524 9.524 31 H LYS 4 H LYS 4 8.539 7.651 7.651 32 HA LYS 4 HA LYS 4 5.834 7.364 7.364 33 1HB LYS 4 2HB LYS 4 6.525 8.381 8.381 34 2HB LYS 4 1HB LYS 4 7.136 9.779 9.779 35 1HG LYS 4 2HG LYS 4 4.945 10.422 10.422 36 2HG LYS 4 1HG LYS 4 4.747 10.045 10.045 37 1HD LYS 4 2HD LYS 4 4.008 7.693 7.693 38 2HD LYS 4 1HD LYS 4 4.055 8.249 8.249 39 1HE LYS 4 2HE LYS 4 2.401 9.644 9.644 40 2HE LYS 4 1HE LYS 4 1.765 8.357 8.357 41 1HZ LYS 4 2HZ LYS 4 2.387 9.678 9.678 42 2HZ LYS 4 1HZ LYS 4 2.867 10.943 10.943 43 3HZ LYS 4 3HZ LYS 4 1.242 10.452 10.452 44 H GLY 5 H GLY 5 5.071 7.890 7.890 45 1HA GLY 5 2HA GLY 5 4.477 9.320 9.320 46 2HA GLY 5 1HA GLY 5 5.734 10.437 10.437 47 H GLN 6 H GLN 6 6.297 7.027 7.027 48 HA GLN 6 HA GLN 6 8.021 7.452 7.452 49 1HB GLN 6 2HB GLN 6 8.988 6.502 6.502 50 2HB GLN 6 1HB GLN 6 7.963 5.095 5.095 51 1HG GLN 6 2HG GLN 6 9.115 4.463 4.463 52 2HG GLN 6 1HG GLN 6 9.928 6.020 6.020 53 1HE2 GLN 6 2HE2 GLN 6 11.542 3.066 3.066 54 2HE2 GLN 6 1HE2 GLN 6 10.141 2.838 2.838 55 H SER 7 H SER 7 8.056 5.706 5.706 56 HA SER 7 HA SER 7 5.526 5.145 5.145 57 1HB SER 7 2HB SER 7 6.941 3.547 3.547 58 2HB SER 7 1HB SER 7 7.465 5.234 5.234 59 HG SER 7 HG SER 7 8.424 3.603 3.603 60 H CYS 8 H CYS 8 4.071 3.725 3.725 61 HA CYS 8 HA CYS 8 4.689 0.967 0.967 62 1HB CYS 8 2HB CYS 8 3.422 1.170 1.170 63 2HB CYS 8 1HB CYS 8 4.974 1.954 1.954 64 H ARG 9 H ARG 9 2.318 0.170 0.170 65 HA ARG 9 HA ARG 9 0.173 1.116 1.116 66 1HB ARG 9 2HB ARG 9 1.317 -1.687 -1.687 67 2HB ARG 9 1HB ARG 9 -0.370 -1.493 -1.493 68 1HG ARG 9 2HG ARG 9 1.821 -0.045 -0.045 69 2HG ARG 9 1HG ARG 9 1.329 -1.675 -1.675 70 1HD ARG 9 2HD ARG 9 -1.023 -0.901 -0.901 71 2HD ARG 9 1HD ARG 9 -0.549 0.734 0.734 72 HE ARG 9 HE ARG 9 0.442 0.999 0.999 73 1HH1 ARG 9 2HH1 ARG 9 -0.243 -2.351 -2.351 74 2HH1 ARG 9 1HH1 ARG 9 0.130 -2.829 -2.829 75 1HH2 ARG 9 1HH2 ARG 9 0.917 0.409 0.409 76 2HH2 ARG 9 2HH2 ARG 9 0.796 -1.248 -1.248 77 H LYS 10 H LYS 10 -1.847 0.995 0.995 78 HA LYS 10 HA LYS 10 -2.283 1.194 1.194 79 1HB LYS 10 2HB LYS 10 -4.682 0.802 0.802 80 2HB LYS 10 1HB LYS 10 -3.946 1.898 1.898 81 1HG LYS 10 2HG LYS 10 -3.755 0.136 0.136 82 2HG LYS 10 1HG LYS 10 -4.261 -1.087 -1.087 83 1HD LYS 10 2HD LYS 10 -6.416 0.551 0.551 84 2HD LYS 10 1HD LYS 10 -5.903 0.992 0.992 85 1HE LYS 10 2HE LYS 10 -7.458 -0.839 -0.839 86 2HE LYS 10 1HE LYS 10 -5.867 -1.521 -1.521 87 1HZ LYS 10 1HZ LYS 10 -7.282 -1.598 -1.598 88 2HZ LYS 10 3HZ LYS 10 -7.228 -2.874 -2.874 89 3HZ LYS 10 2HZ LYS 10 -5.801 -2.343 -2.343 90 H THR 11 H THR 11 -3.195 -0.125 -0.125 91 HA THR 11 HA THR 11 -3.189 -1.985 -1.985 92 HB THR 11 HB THR 11 -4.202 -4.133 -4.133 93 HG1 THR 11 HG1 THR 11 -4.136 -3.037 -3.037 94 1HG2 THR 11 3HG2 THR 11 -5.748 -1.631 -1.631 95 2HG2 THR 11 2HG2 THR 11 -6.455 -3.202 -3.202 96 3HG2 THR 11 1HG2 THR 11 -5.408 -3.001 -3.001 97 H SER 12 H SER 12 -0.709 -1.652 -1.652 98 HA SER 12 HA SER 12 0.277 -4.420 -4.420 99 1HB SER 12 2HB SER 12 0.885 -2.655 -2.655 100 2HB SER 12 1HB SER 12 1.847 -1.838 -1.838 101 HG SER 12 HG SER 12 3.298 -3.298 -3.298 102 H TYR 13 H TYR 13 0.383 -1.799 -1.799 103 HA TYR 13 HA TYR 13 1.406 -1.453 -1.453 104 1HB TYR 13 2HB TYR 13 1.141 -4.489 -4.489 105 2HB TYR 13 1HB TYR 13 1.869 -3.732 -3.732 106 HD1 TYR 13 HD1 TYR 13 -1.177 -3.561 -3.561 107 HD2 TYR 13 HD2 TYR 13 0.481 -2.844 -2.844 108 HE1 TYR 13 HE1 TYR 13 -3.406 -3.020 -3.020 109 HE2 TYR 13 HE2 TYR 13 -1.748 -2.303 -2.303 110 HH TYR 13 HH TYR 13 -3.894 -2.060 -2.060 111 H ASP 14 H ASP 14 3.093 -1.932 -1.932 112 HA ASP 14 HA ASP 14 5.624 -2.980 -2.980 113 1HB ASP 14 2HB ASP 14 4.496 -1.757 -1.757 114 2HB ASP 14 1HB ASP 14 6.218 -1.516 -1.516 115 H CYS 15 H CYS 15 4.112 0.048 0.048 116 HA CYS 15 HA CYS 15 6.594 1.568 1.568 117 1HB CYS 15 2HB CYS 15 4.046 2.629 2.629 118 2HB CYS 15 1HB CYS 15 5.339 3.432 3.432 119 H CYS 16 H CYS 16 7.427 2.539 2.539 120 HA CYS 16 HA CYS 16 7.987 1.239 1.239 121 1HB CYS 16 2HB CYS 16 8.287 3.908 3.908 122 2HB CYS 16 1HB CYS 16 8.837 3.627 3.627 123 H SER 17 H SER 17 6.295 4.153 4.153 124 HA SER 17 HA SER 17 5.222 4.549 4.549 125 1HB SER 17 2HB SER 17 3.882 6.390 6.390 126 2HB SER 17 1HB SER 17 5.602 6.447 6.447 127 HG SER 17 HG SER 17 5.131 5.212 5.212 128 H GLY 18 H GLY 18 4.313 2.277 2.277 129 1HA GLY 18 2HA GLY 18 2.349 0.945 0.945 130 2HA GLY 18 1HA GLY 18 1.414 2.372 2.372 131 H SER 19 H SER 19 0.713 2.648 2.648 132 HA SER 19 HA SER 19 1.622 0.785 0.785 133 1HB SER 19 2HB SER 19 -1.369 1.201 1.201 134 2HB SER 19 1HB SER 19 -0.557 -0.096 -0.096 135 HG SER 19 HG SER 19 -1.131 -0.862 -0.862 136 H CYS 20 H CYS 20 0.201 1.220 1.220 137 HA CYS 20 HA CYS 20 0.581 4.047 4.047 138 1HB CYS 20 2HB CYS 20 1.295 1.697 1.697 139 2HB CYS 20 1HB CYS 20 -0.277 1.918 1.918 140 H GLY 21 H GLY 21 -1.115 4.642 4.642 141 1HA GLY 21 2HA GLY 21 -3.696 3.877 3.877 142 2HA GLY 21 1HA GLY 21 -3.738 4.555 4.555 143 H ARG 22 H ARG 22 -1.517 6.368 6.368 144 HA ARG 22 HA ARG 22 -3.506 8.491 8.491 145 1HB ARG 22 2HB ARG 22 -1.276 8.678 8.678 146 2HB ARG 22 1HB ARG 22 -0.537 8.952 8.952 147 1HG ARG 22 2HG ARG 22 -2.801 10.613 10.613 148 2HG ARG 22 1HG ARG 22 -2.350 10.705 10.705 149 1HD ARG 22 2HD ARG 22 -1.212 12.492 12.492 150 2HD ARG 22 1HD ARG 22 -0.027 11.346 11.346 151 HE ARG 22 HE ARG 22 0.412 10.659 10.659 152 1HH1 ARG 22 1HH2 ARG 22 -2.456 12.605 12.605 153 2HH1 ARG 22 2HH2 ARG 22 -2.567 12.739 12.739 154 1HH2 ARG 22 2HH1 ARG 22 0.287 10.815 10.815 155 2HH2 ARG 22 1HH1 ARG 22 -0.992 11.711 11.711 156 H SER 23 H SER 23 -3.105 6.244 6.244 157 HA SER 23 HA SER 23 -2.982 5.573 5.573 158 1HB SER 23 2HB SER 23 -3.603 7.223 7.223 159 2HB SER 23 1HB SER 23 -4.390 7.765 7.765 160 HG SER 23 HG SER 23 -3.306 9.455 9.455 161 H GLY 24 H GLY 24 -0.991 4.694 4.694 162 1HA GLY 24 2HA GLY 24 1.121 4.148 4.148 163 2HA GLY 24 1HA GLY 24 1.153 5.675 5.675 164 H LYS 25 H LYS 25 0.378 6.467 6.467 165 HA LYS 25 HA LYS 25 3.250 6.762 6.762 166 1HB LYS 25 2HB LYS 25 2.792 8.899 8.899 167 2HB LYS 25 1HB LYS 25 1.070 8.803 8.803 168 1HG LYS 25 2HG LYS 25 1.264 9.264 9.264 169 2HG LYS 25 1HG LYS 25 2.894 8.691 8.691 170 1HD LYS 25 2HD LYS 25 1.924 11.310 11.310 171 2HD LYS 25 1HD LYS 25 2.866 11.145 11.145 172 1HE LYS 25 2HE LYS 25 4.471 9.852 9.852 173 2HE LYS 25 1HE LYS 25 3.751 11.149 11.149 174 1HZ LYS 25 3HZ LYS 25 4.772 11.829 11.829 175 2HZ LYS 25 2HZ LYS 25 5.909 11.475 11.475 176 3HZ LYS 25 1HZ LYS 25 4.784 12.726 12.726 177 H CYS 26 H CYS 26 3.811 6.619 6.619 178 HA CYS 26 HA CYS 26 2.304 4.899 4.899 179 1HB CYS 26 2HB CYS 26 5.005 6.161 6.161 180 2HB CYS 26 1HB CYS 26 4.344 5.504 5.504 181 1HN NH2 27 1HT CYS 26 0.794 5.570 5.570 182 2HN NH2 27 2HT CYS 26 0.758 7.059 7.059 Start of MODEL 5 1 1H CYS 1 3H CYS 1 12.269 -0.322 -0.322 2 2H CYS 1 2H CYS 1 11.648 -1.892 -1.892 3 3H CYS 1 1H CYS 1 12.256 -1.397 -1.397 4 HA CYS 1 HA CYS 1 9.895 -1.374 -1.374 5 1HB CYS 1 2HB CYS 1 8.735 0.302 0.302 6 2HB CYS 1 1HB CYS 1 9.217 -1.224 -1.224 7 H LYS 2 H LYS 2 8.535 0.764 0.764 8 HA LYS 2 HA LYS 2 10.327 2.437 2.437 9 1HB LYS 2 2HB LYS 2 7.298 2.641 2.641 10 2HB LYS 2 1HB LYS 2 8.382 3.093 3.093 11 1HG LYS 2 2HG LYS 2 8.125 0.197 0.197 12 2HG LYS 2 1HG LYS 2 7.033 0.908 0.908 13 1HD LYS 2 2HD LYS 2 8.924 1.477 1.477 14 2HD LYS 2 1HD LYS 2 10.068 0.862 0.862 15 1HE LYS 2 2HE LYS 2 7.895 -0.816 -0.816 16 2HE LYS 2 1HE LYS 2 9.587 -0.808 -0.808 17 1HZ LYS 2 3HZ LYS 2 10.059 -1.401 -1.401 18 2HZ LYS 2 2HZ LYS 2 8.403 -1.762 -1.762 19 3HZ LYS 2 1HZ LYS 2 9.372 -2.606 -2.606 20 H LEU 3 H LEU 3 10.044 4.747 4.747 21 HA LEU 3 HA LEU 3 9.781 5.948 5.948 22 1HB LEU 3 2HB LEU 3 11.606 6.250 6.250 23 2HB LEU 3 1HB LEU 3 10.463 7.420 7.420 24 HG LEU 3 HG LEU 3 12.232 8.447 8.447 25 1HD1 LEU 3 1HD1 LEU 3 9.675 9.140 9.140 26 2HD1 LEU 3 3HD1 LEU 3 9.754 8.743 8.743 27 3HD1 LEU 3 2HD1 LEU 3 10.818 9.973 9.973 28 1HD2 LEU 3 1HD2 LEU 3 12.412 6.373 6.373 29 2HD2 LEU 3 3HD2 LEU 3 12.607 7.963 7.963 30 3HD2 LEU 3 2HD2 LEU 3 11.093 7.099 7.099 31 H LYS 4 H LYS 4 8.276 7.635 7.635 32 HA LYS 4 HA LYS 4 5.697 7.356 7.356 33 1HB LYS 4 2HB LYS 4 6.334 8.337 8.337 34 2HB LYS 4 1HB LYS 4 6.700 9.827 9.827 35 1HG LYS 4 2HG LYS 4 4.435 10.137 10.137 36 2HG LYS 4 1HG LYS 4 4.272 9.579 9.579 37 1HD LYS 4 2HD LYS 4 3.990 7.215 7.215 38 2HD LYS 4 1HD LYS 4 4.039 7.872 7.872 39 1HE LYS 4 2HE LYS 4 1.964 8.979 8.979 40 2HE LYS 4 1HE LYS 4 2.030 8.949 8.949 41 1HZ LYS 4 2HZ LYS 4 1.957 6.446 6.446 42 2HZ LYS 4 1HZ LYS 4 1.473 6.727 6.727 43 3HZ LYS 4 3HZ LYS 4 0.527 7.305 7.305 44 H GLY 5 H GLY 5 5.050 8.055 8.055 45 1HA GLY 5 2HA GLY 5 4.690 9.766 9.766 46 2HA GLY 5 1HA GLY 5 6.121 10.579 10.579 47 H GLN 6 H GLN 6 6.323 7.178 7.178 48 HA GLN 6 HA GLN 6 8.015 7.406 7.406 49 1HB GLN 6 2HB GLN 6 8.975 6.538 6.538 50 2HB GLN 6 1HB GLN 6 7.921 5.144 5.144 51 1HG GLN 6 2HG GLN 6 9.086 4.334 4.334 52 2HG GLN 6 1HG GLN 6 9.807 5.902 5.902 53 1HE2 GLN 6 2HE2 GLN 6 11.607 3.390 3.390 54 2HE2 GLN 6 1HE2 GLN 6 10.131 2.983 2.983 55 H SER 7 H SER 7 7.970 5.707 5.707 56 HA SER 7 HA SER 7 5.428 5.113 5.113 57 1HB SER 7 2HB SER 7 6.788 3.574 3.574 58 2HB SER 7 1HB SER 7 7.388 5.234 5.234 59 HG SER 7 HG SER 7 9.078 3.821 3.821 60 H CYS 8 H CYS 8 3.997 3.732 3.732 61 HA CYS 8 HA CYS 8 4.543 0.941 0.941 62 1HB CYS 8 2HB CYS 8 3.310 1.146 1.146 63 2HB CYS 8 1HB CYS 8 4.881 1.891 1.891 64 H ARG 9 H ARG 9 2.108 0.289 0.289 65 HA ARG 9 HA ARG 9 0.022 1.409 1.409 66 1HB ARG 9 2HB ARG 9 1.363 -1.105 -1.105 67 2HB ARG 9 1HB ARG 9 -0.254 -1.499 -1.499 68 1HG ARG 9 2HG ARG 9 -1.190 0.068 0.068 69 2HG ARG 9 1HG ARG 9 0.438 0.389 0.389 70 1HD ARG 9 2HD ARG 9 0.741 -2.003 -2.003 71 2HD ARG 9 1HD ARG 9 -0.874 -2.371 -2.371 72 HE ARG 9 HE ARG 9 -0.203 -1.090 -1.090 73 1HH1 ARG 9 1HH2 ARG 9 -2.625 -1.485 -1.485 74 2HH1 ARG 9 2HH2 ARG 9 -3.928 -1.106 -1.106 75 1HH2 ARG 9 2HH1 ARG 9 -1.837 -0.604 -0.604 76 2HH2 ARG 9 1HH1 ARG 9 -3.479 -0.598 -0.598 77 H LYS 10 H LYS 10 -2.048 1.177 1.177 78 HA LYS 10 HA LYS 10 -2.575 1.392 1.392 79 1HB LYS 10 2HB LYS 10 -4.201 0.591 0.591 80 2HB LYS 10 1HB LYS 10 -4.925 0.245 0.245 81 1HG LYS 10 2HG LYS 10 -4.820 2.512 2.512 82 2HG LYS 10 1HG LYS 10 -3.744 2.972 2.972 83 1HD LYS 10 2HD LYS 10 -5.542 2.588 2.588 84 2HD LYS 10 1HD LYS 10 -6.612 2.013 2.013 85 1HE LYS 10 2HE LYS 10 -7.217 4.312 4.312 86 2HE LYS 10 1HE LYS 10 -6.265 4.318 4.318 87 1HZ LYS 10 3HZ LYS 10 -5.258 4.943 4.943 88 2HZ LYS 10 2HZ LYS 10 -5.583 6.069 6.069 89 3HZ LYS 10 1HZ LYS 10 -4.328 4.942 4.942 90 H THR 11 H THR 11 -2.994 0.201 0.201 91 HA THR 11 HA THR 11 -2.752 -1.534 -1.534 92 HB THR 11 HB THR 11 -4.291 -3.465 -3.465 93 HG1 THR 11 HG1 THR 11 -3.425 -3.613 -3.613 94 1HG2 THR 11 2HG2 THR 11 -5.358 -1.113 -1.113 95 2HG2 THR 11 1HG2 THR 11 -5.443 -1.041 -1.041 96 3HG2 THR 11 3HG2 THR 11 -6.333 -2.277 -2.277 97 H SER 12 H SER 12 -0.523 -1.318 -1.318 98 HA SER 12 HA SER 12 0.346 -4.081 -4.081 99 1HB SER 12 2HB SER 12 1.025 -2.288 -2.288 100 2HB SER 12 1HB SER 12 1.868 -1.429 -1.429 101 HG SER 12 HG SER 12 3.234 -3.140 -3.140 102 H TYR 13 H TYR 13 0.566 -1.770 -1.770 103 HA TYR 13 HA TYR 13 1.650 -1.660 -1.660 104 1HB TYR 13 2HB TYR 13 1.553 -4.692 -4.692 105 2HB TYR 13 1HB TYR 13 1.819 -3.877 -3.877 106 HD1 TYR 13 HD1 TYR 13 0.010 -2.123 -2.123 107 HD2 TYR 13 HD2 TYR 13 -0.665 -5.100 -5.100 108 HE1 TYR 13 HE1 TYR 13 -2.406 -1.851 -1.851 109 HE2 TYR 13 HE2 TYR 13 -3.082 -4.826 -4.826 110 HH TYR 13 HH TYR 13 -4.423 -2.505 -2.505 111 H ASP 14 H ASP 14 3.276 -1.737 -1.737 112 HA ASP 14 HA ASP 14 5.804 -3.003 -3.003 113 1HB ASP 14 2HB ASP 14 4.624 -1.674 -1.674 114 2HB ASP 14 1HB ASP 14 6.321 -1.308 -1.308 115 H CYS 15 H CYS 15 4.341 0.119 0.119 116 HA CYS 15 HA CYS 15 6.806 1.562 1.562 117 1HB CYS 15 2HB CYS 15 4.220 2.624 2.624 118 2HB CYS 15 1HB CYS 15 5.535 3.425 3.425 119 H CYS 16 H CYS 16 7.510 2.521 2.521 120 HA CYS 16 HA CYS 16 7.911 1.048 1.048 121 1HB CYS 16 2HB CYS 16 8.275 3.782 3.782 122 2HB CYS 16 1HB CYS 16 8.703 3.386 3.386 123 H SER 17 H SER 17 6.243 3.996 3.996 124 HA SER 17 HA SER 17 4.970 4.166 4.166 125 1HB SER 17 2HB SER 17 4.270 5.625 5.625 126 2HB SER 17 1HB SER 17 3.792 6.131 6.131 127 HG SER 17 HG SER 17 6.084 6.053 6.053 128 H GLY 18 H GLY 18 4.274 2.056 2.056 129 1HA GLY 18 2HA GLY 18 2.251 0.621 0.621 130 2HA GLY 18 1HA GLY 18 1.325 2.065 2.065 131 H SER 19 H SER 19 0.698 2.396 2.396 132 HA SER 19 HA SER 19 1.927 0.852 0.852 133 1HB SER 19 2HB SER 19 -0.252 -0.072 -0.072 134 2HB SER 19 1HB SER 19 -0.081 -0.440 -0.440 135 HG SER 19 HG SER 19 -1.631 1.500 1.500 136 H CYS 20 H CYS 20 0.336 1.355 1.355 137 HA CYS 20 HA CYS 20 0.755 4.181 4.181 138 1HB CYS 20 2HB CYS 20 0.828 1.747 1.747 139 2HB CYS 20 1HB CYS 20 -0.632 2.482 2.482 140 H GLY 21 H GLY 21 -1.234 4.709 4.709 141 1HA GLY 21 2HA GLY 21 -3.879 4.297 4.297 142 2HA GLY 21 1HA GLY 21 -3.457 5.269 5.269 143 H ARG 22 H ARG 22 -1.472 6.627 6.627 144 HA ARG 22 HA ARG 22 -3.530 8.652 8.652 145 1HB ARG 22 2HB ARG 22 -1.237 9.132 9.132 146 2HB ARG 22 1HB ARG 22 -0.565 8.956 8.956 147 1HG ARG 22 2HG ARG 22 -2.229 10.720 10.720 148 2HG ARG 22 1HG ARG 22 -2.734 10.933 10.933 149 1HD ARG 22 2HD ARG 22 -0.533 11.731 11.731 150 2HD ARG 22 1HD ARG 22 0.149 11.287 11.287 151 HE ARG 22 HE ARG 22 -1.964 13.061 13.061 152 1HH1 ARG 22 1HH2 ARG 22 1.059 13.032 13.032 153 2HH1 ARG 22 2HH2 ARG 22 1.356 14.717 14.717 154 1HH2 ARG 22 2HH1 ARG 22 -1.610 15.203 15.203 155 2HH2 ARG 22 1HH1 ARG 22 -0.178 15.966 15.966 156 H SER 23 H SER 23 -3.193 6.066 6.066 157 HA SER 23 HA SER 23 -3.308 4.991 4.991 158 1HB SER 23 2HB SER 23 -4.345 6.229 6.229 159 2HB SER 23 1HB SER 23 -4.900 7.062 7.062 160 HG SER 23 HG SER 23 -3.065 7.848 7.848 161 H GLY 24 H GLY 24 -0.918 5.064 5.064 162 1HA GLY 24 2HA GLY 24 0.943 4.267 4.267 163 2HA GLY 24 1HA GLY 24 0.885 5.886 5.886 164 H LYS 25 H LYS 25 0.319 6.537 6.537 165 HA LYS 25 HA LYS 25 3.238 6.539 6.539 166 1HB LYS 25 2HB LYS 25 3.028 8.756 8.756 167 2HB LYS 25 1HB LYS 25 1.327 8.869 8.869 168 1HG LYS 25 2HG LYS 25 3.412 8.467 8.467 169 2HG LYS 25 1HG LYS 25 3.205 10.041 10.041 170 1HD LYS 25 2HD LYS 25 0.754 9.900 9.900 171 2HD LYS 25 1HD LYS 25 1.149 8.522 8.522 172 1HE LYS 25 2HE LYS 25 2.896 10.038 10.038 173 2HE LYS 25 1HE LYS 25 2.197 11.371 11.371 174 1HZ LYS 25 2HZ LYS 25 0.652 9.595 9.595 175 2HZ LYS 25 1HZ LYS 25 1.285 11.104 11.104 176 3HZ LYS 25 3HZ LYS 25 0.106 11.011 11.011 177 H CYS 26 H CYS 26 3.834 6.467 6.467 178 HA CYS 26 HA CYS 26 2.460 4.808 4.808 179 1HB CYS 26 2HB CYS 26 5.064 6.219 6.219 180 2HB CYS 26 1HB CYS 26 4.513 5.538 5.538 181 1HN NH2 27 1HT CYS 26 0.744 5.596 5.596 182 2HN NH2 27 2HT CYS 26 0.724 7.043 7.043 Start of MODEL 6 1 1H CYS 1 2H CYS 1 12.529 -0.634 -0.634 2 2H CYS 1 1H CYS 1 11.882 -2.200 -2.200 3 3H CYS 1 3H CYS 1 12.504 -1.446 -1.446 4 HA CYS 1 HA CYS 1 10.149 -1.349 -1.349 5 1HB CYS 1 2HB CYS 1 8.986 -0.016 -0.016 6 2HB CYS 1 1HB CYS 1 9.464 -1.643 -1.643 7 H LYS 2 H LYS 2 8.837 0.805 0.805 8 HA LYS 2 HA LYS 2 10.689 2.826 2.826 9 1HB LYS 2 2HB LYS 2 7.662 2.685 2.685 10 2HB LYS 2 1HB LYS 2 8.754 3.659 3.659 11 1HG LYS 2 2HG LYS 2 9.052 0.643 0.643 12 2HG LYS 2 1HG LYS 2 7.860 1.437 1.437 13 1HD LYS 2 2HD LYS 2 9.795 2.891 2.891 14 2HD LYS 2 1HD LYS 2 10.879 1.804 1.804 15 1HE LYS 2 2HE LYS 2 8.881 0.981 0.981 16 2HE LYS 2 1HE LYS 2 10.621 1.090 1.090 17 1HZ LYS 2 3HZ LYS 2 9.267 -0.689 -0.689 18 2HZ LYS 2 2HZ LYS 2 9.840 -1.170 -1.170 19 3HZ LYS 2 1HZ LYS 2 10.930 -0.631 -0.631 20 H LEU 3 H LEU 3 9.642 5.121 5.121 21 HA LEU 3 HA LEU 3 9.021 5.800 5.800 22 1HB LEU 3 2HB LEU 3 11.330 6.362 6.362 23 2HB LEU 3 1HB LEU 3 10.517 7.437 7.437 24 HG LEU 3 HG LEU 3 11.605 8.420 8.420 25 1HD1 LEU 3 1HD1 LEU 3 9.393 9.239 9.239 26 2HD1 LEU 3 3HD1 LEU 3 8.900 9.517 9.517 27 3HD1 LEU 3 2HD1 LEU 3 10.377 10.236 10.236 28 1HD2 LEU 3 2HD2 LEU 3 10.580 6.655 6.655 29 2HD2 LEU 3 1HD2 LEU 3 10.443 8.313 8.313 30 3HD2 LEU 3 3HD2 LEU 3 9.054 7.509 7.509 31 H LYS 4 H LYS 4 7.770 7.882 7.882 32 HA LYS 4 HA LYS 4 5.344 7.708 7.708 33 1HB LYS 4 2HB LYS 4 5.813 8.866 8.866 34 2HB LYS 4 1HB LYS 4 6.423 10.228 10.228 35 1HG LYS 4 2HG LYS 4 3.701 9.165 9.165 36 2HG LYS 4 1HG LYS 4 3.823 10.000 10.000 37 1HD LYS 4 2HD LYS 4 4.630 12.022 12.022 38 2HD LYS 4 1HD LYS 4 4.901 11.229 11.229 39 1HE LYS 4 2HE LYS 4 2.431 10.810 10.810 40 2HE LYS 4 1HE LYS 4 2.196 11.721 11.721 41 1HZ LYS 4 2HZ LYS 4 3.437 13.567 13.567 42 2HZ LYS 4 1HZ LYS 4 3.212 12.686 12.686 43 3HZ LYS 4 3HZ LYS 4 1.868 13.231 13.231 44 H GLY 5 H GLY 5 4.898 8.196 8.196 45 1HA GLY 5 2HA GLY 5 4.675 9.755 9.755 46 2HA GLY 5 1HA GLY 5 6.122 10.528 10.528 47 H GLN 6 H GLN 6 6.419 7.136 7.136 48 HA GLN 6 HA GLN 6 7.971 7.221 7.221 49 1HB GLN 6 2HB GLN 6 8.208 5.682 5.682 50 2HB GLN 6 1HB GLN 6 8.624 4.811 4.811 51 1HG GLN 6 2HG GLN 6 10.669 5.766 5.766 52 2HG GLN 6 1HG GLN 6 10.113 6.846 6.846 53 1HE2 GLN 6 2HE2 GLN 6 11.297 8.855 8.855 54 2HE2 GLN 6 1HE2 GLN 6 11.993 7.678 7.678 55 H SER 7 H SER 7 8.060 5.265 5.265 56 HA SER 7 HA SER 7 5.568 4.584 4.584 57 1HB SER 7 2HB SER 7 6.979 2.824 2.824 58 2HB SER 7 1HB SER 7 7.625 4.467 4.467 59 HG SER 7 HG SER 7 8.364 2.384 2.384 60 H CYS 8 H CYS 8 4.070 3.274 3.274 61 HA CYS 8 HA CYS 8 4.598 0.641 0.641 62 1HB CYS 8 2HB CYS 8 3.377 1.028 1.028 63 2HB CYS 8 1HB CYS 8 4.649 2.221 2.221 64 H ARG 9 H ARG 9 2.162 -0.021 -0.021 65 HA ARG 9 HA ARG 9 0.089 0.717 0.717 66 1HB ARG 9 2HB ARG 9 1.460 -1.185 -1.185 67 2HB ARG 9 1HB ARG 9 0.983 -2.177 -2.177 68 1HG ARG 9 2HG ARG 9 -1.442 -1.620 -1.620 69 2HG ARG 9 1HG ARG 9 -0.823 -0.897 -0.897 70 1HD ARG 9 2HD ARG 9 -0.365 -3.814 -3.814 71 2HD ARG 9 1HD ARG 9 -1.590 -3.278 -3.278 72 HE ARG 9 HE ARG 9 0.090 -2.729 -2.729 73 1HH1 ARG 9 2HH1 ARG 9 1.432 -3.934 -3.934 74 2HH1 ARG 9 1HH1 ARG 9 2.986 -4.224 -4.224 75 1HH2 ARG 9 1HH2 ARG 9 2.043 -3.089 -3.089 76 2HH2 ARG 9 2HH2 ARG 9 3.338 -3.741 -3.741 77 H LYS 10 H LYS 10 -1.871 0.619 0.619 78 HA LYS 10 HA LYS 10 -2.259 0.398 0.398 79 1HB LYS 10 2HB LYS 10 -4.731 0.193 0.193 80 2HB LYS 10 1HB LYS 10 -3.918 1.546 1.546 81 1HG LYS 10 2HG LYS 10 -3.812 -0.957 -0.957 82 2HG LYS 10 1HG LYS 10 -5.434 -0.367 -0.367 83 1HD LYS 10 2HD LYS 10 -5.032 1.687 1.687 84 2HD LYS 10 1HD LYS 10 -3.292 1.577 1.577 85 1HE LYS 10 2HE LYS 10 -3.881 1.100 1.100 86 2HE LYS 10 1HE LYS 10 -3.282 -0.377 -0.377 87 1HZ LYS 10 3HZ LYS 10 -6.152 0.321 0.321 88 2HZ LYS 10 2HZ LYS 10 -5.327 -0.652 -0.652 89 3HZ LYS 10 1HZ LYS 10 -5.484 -1.161 -1.161 90 H THR 11 H THR 11 -3.393 -1.197 -1.197 91 HA THR 11 HA THR 11 -3.704 -3.320 -3.320 92 HB THR 11 HB THR 11 -4.882 -4.914 -4.914 93 HG1 THR 11 HG1 THR 11 -3.757 -5.536 -5.536 94 1HG2 THR 11 3HG2 THR 11 -5.879 -2.482 -2.482 95 2HG2 THR 11 2HG2 THR 11 -5.177 -2.534 -2.534 96 3HG2 THR 11 1HG2 THR 11 -6.386 -3.714 -3.714 97 H SER 12 H SER 12 -1.070 -2.478 -2.478 98 HA SER 12 HA SER 12 0.538 -4.754 -4.754 99 1HB SER 12 2HB SER 12 -0.120 -5.372 -5.372 100 2HB SER 12 1HB SER 12 0.567 -3.838 -3.838 101 HG SER 12 HG SER 12 2.543 -4.474 -4.474 102 H TYR 13 H TYR 13 0.242 -2.504 -2.504 103 HA TYR 13 HA TYR 13 1.178 -0.103 -0.103 104 1HB TYR 13 2HB TYR 13 1.842 -1.961 -1.961 105 2HB TYR 13 1HB TYR 13 2.397 -0.294 -0.294 106 HD1 TYR 13 HD1 TYR 13 0.721 1.570 1.570 107 HD2 TYR 13 HD2 TYR 13 -0.507 -2.475 -2.475 108 HE1 TYR 13 HE1 TYR 13 -1.514 2.330 2.330 109 HE2 TYR 13 HE2 TYR 13 -2.738 -1.715 -1.715 110 HH TYR 13 HH TYR 13 -4.061 0.012 0.012 111 H ASP 14 H ASP 14 3.610 -2.560 -2.560 112 HA ASP 14 HA ASP 14 5.876 -2.692 -2.692 113 1HB ASP 14 2HB ASP 14 5.123 -2.672 -2.672 114 2HB ASP 14 1HB ASP 14 4.814 -0.958 -0.958 115 H CYS 15 H CYS 15 4.515 -0.051 -0.051 116 HA CYS 15 HA CYS 15 7.021 1.581 1.581 117 1HB CYS 15 2HB CYS 15 4.508 2.667 2.667 118 2HB CYS 15 1HB CYS 15 5.761 3.448 3.448 119 H CYS 16 H CYS 16 7.856 2.160 2.160 120 HA CYS 16 HA CYS 16 8.108 0.343 0.343 121 1HB CYS 16 2HB CYS 16 8.532 3.181 3.181 122 2HB CYS 16 1HB CYS 16 8.945 2.456 2.456 123 H SER 17 H SER 17 6.552 3.361 3.361 124 HA SER 17 HA SER 17 5.144 2.974 2.974 125 1HB SER 17 2HB SER 17 5.930 5.235 5.235 126 2HB SER 17 1HB SER 17 4.513 5.163 5.163 127 HG SER 17 HG SER 17 4.546 4.951 4.951 128 H GLY 18 H GLY 18 4.369 1.984 1.984 129 1HA GLY 18 2HA GLY 18 2.435 0.998 0.998 130 2HA GLY 18 1HA GLY 18 1.859 0.820 0.820 131 H SER 19 H SER 19 2.354 3.196 3.196 132 HA SER 19 HA SER 19 0.042 4.827 4.827 133 1HB SER 19 2HB SER 19 1.232 6.721 6.721 134 2HB SER 19 1HB SER 19 2.242 5.861 5.861 135 HG SER 19 HG SER 19 2.960 4.537 4.537 136 H CYS 20 H CYS 20 1.585 3.619 3.619 137 HA CYS 20 HA CYS 20 0.579 4.386 4.386 138 1HB CYS 20 2HB CYS 20 1.611 2.060 2.060 139 2HB CYS 20 1HB CYS 20 -0.049 1.511 1.511 140 H GLY 21 H GLY 21 -0.979 4.748 4.748 141 1HA GLY 21 2HA GLY 21 -3.346 3.806 3.806 142 2HA GLY 21 1HA GLY 21 -3.772 4.393 4.393 143 H ARG 22 H ARG 22 -1.320 6.138 6.138 144 HA ARG 22 HA ARG 22 -3.067 8.467 8.467 145 1HB ARG 22 2HB ARG 22 -0.682 8.212 8.212 146 2HB ARG 22 1HB ARG 22 -0.098 8.637 8.637 147 1HG ARG 22 2HG ARG 22 -0.379 10.752 10.752 148 2HG ARG 22 1HG ARG 22 -1.946 10.539 10.539 149 1HD ARG 22 2HD ARG 22 -2.991 9.988 9.988 150 2HD ARG 22 1HD ARG 22 -1.448 9.784 9.784 151 HE ARG 22 HE ARG 22 -2.815 12.299 12.299 152 1HH1 ARG 22 2HH1 ARG 22 0.287 10.796 10.796 153 2HH1 ARG 22 1HH1 ARG 22 1.028 12.254 12.254 154 1HH2 ARG 22 1HH2 ARG 22 -1.880 14.148 14.148 155 2HH2 ARG 22 2HH2 ARG 22 -0.206 14.181 14.181 156 H SER 23 H SER 23 -2.994 6.224 6.224 157 HA SER 23 HA SER 23 -3.089 5.596 5.596 158 1HB SER 23 2HB SER 23 -3.594 7.346 7.346 159 2HB SER 23 1HB SER 23 -4.207 7.969 7.969 160 HG SER 23 HG SER 23 -2.762 9.470 9.470 161 H GLY 24 H GLY 24 -1.112 4.584 4.584 162 1HA GLY 24 2HA GLY 24 0.867 3.730 3.730 163 2HA GLY 24 1HA GLY 24 1.032 5.197 5.197 164 H LYS 25 H LYS 25 0.472 6.450 6.450 165 HA LYS 25 HA LYS 25 3.368 6.458 6.458 166 1HB LYS 25 2HB LYS 25 3.073 8.653 8.653 167 2HB LYS 25 1HB LYS 25 1.348 8.677 8.677 168 1HG LYS 25 2HG LYS 25 1.784 8.762 8.762 169 2HG LYS 25 1HG LYS 25 3.479 8.611 8.611 170 1HD LYS 25 2HD LYS 25 1.658 10.884 10.884 171 2HD LYS 25 1HD LYS 25 2.640 11.011 11.011 172 1HE LYS 25 2HE LYS 25 4.475 10.215 10.215 173 2HE LYS 25 1HE LYS 25 3.418 11.374 11.374 174 1HZ LYS 25 1HZ LYS 25 3.812 12.858 12.858 175 2HZ LYS 25 3HZ LYS 25 4.998 11.767 11.767 176 3HZ LYS 25 2HZ LYS 25 5.181 12.556 12.556 177 H CYS 26 H CYS 26 3.949 6.566 6.566 178 HA CYS 26 HA CYS 26 2.400 4.932 4.932 179 1HB CYS 26 2HB CYS 26 5.068 6.275 6.275 180 2HB CYS 26 1HB CYS 26 4.427 5.639 5.639 181 1HN NH2 27 1HT CYS 26 0.561 5.957 5.957 182 2HN NH2 27 2HT CYS 26 0.577 7.479 7.479 Start of MODEL 7 1 1H CYS 1 3H CYS 1 12.170 -0.395 -0.395 2 2H CYS 1 2H CYS 1 11.627 -2.003 -2.003 3 3H CYS 1 1H CYS 1 12.292 -1.271 -1.271 4 HA CYS 1 HA CYS 1 9.954 -1.329 -1.329 5 1HB CYS 1 2HB CYS 1 8.652 0.089 0.089 6 2HB CYS 1 1HB CYS 1 9.039 -1.561 -1.561 7 H LYS 2 H LYS 2 8.555 0.679 0.679 8 HA LYS 2 HA LYS 2 10.270 2.648 2.648 9 1HB LYS 2 2HB LYS 2 7.268 2.200 2.200 10 2HB LYS 2 1HB LYS 2 8.071 3.456 3.456 11 1HG LYS 2 2HG LYS 2 7.626 1.449 1.449 12 2HG LYS 2 1HG LYS 2 9.337 1.855 1.855 13 1HD LYS 2 2HD LYS 2 9.866 -0.007 -0.007 14 2HD LYS 2 1HD LYS 2 8.204 -0.230 -0.230 15 1HE LYS 2 2HE LYS 2 8.703 -1.944 -1.944 16 2HE LYS 2 1HE LYS 2 7.671 -0.777 -0.777 17 1HZ LYS 2 3HZ LYS 2 9.664 0.283 0.283 18 2HZ LYS 2 2HZ LYS 2 10.623 -0.914 -0.914 19 3HZ LYS 2 1HZ LYS 2 9.522 -1.337 -1.337 20 H LEU 3 H LEU 3 9.473 4.999 4.999 21 HA LEU 3 HA LEU 3 8.988 5.833 5.833 22 1HB LEU 3 2HB LEU 3 11.275 6.236 6.236 23 2HB LEU 3 1HB LEU 3 10.457 7.322 7.322 24 HG LEU 3 HG LEU 3 11.690 8.326 8.326 25 1HD1 LEU 3 3HD1 LEU 3 9.553 9.238 9.238 26 2HD1 LEU 3 2HD1 LEU 3 8.930 9.391 9.391 27 3HD1 LEU 3 1HD1 LEU 3 10.427 10.184 10.184 28 1HD2 LEU 3 2HD2 LEU 3 10.684 6.603 6.603 29 2HD2 LEU 3 1HD2 LEU 3 10.698 8.271 8.271 30 3HD2 LEU 3 3HD2 LEU 3 9.207 7.554 7.554 31 H LYS 4 H LYS 4 7.701 7.820 7.820 32 HA LYS 4 HA LYS 4 5.295 7.771 7.771 33 1HB LYS 4 2HB LYS 4 5.758 8.842 8.842 34 2HB LYS 4 1HB LYS 4 6.427 10.211 10.211 35 1HG LYS 4 2HG LYS 4 3.665 9.222 9.222 36 2HG LYS 4 1HG LYS 4 3.836 10.113 10.113 37 1HD LYS 4 2HD LYS 4 4.383 12.108 12.108 38 2HD LYS 4 1HD LYS 4 5.123 11.342 11.342 39 1HE LYS 4 2HE LYS 4 2.841 10.628 10.628 40 2HE LYS 4 1HE LYS 4 2.138 11.480 11.480 41 1HZ LYS 4 3HZ LYS 4 3.964 13.097 13.097 42 2HZ LYS 4 2HZ LYS 4 2.667 12.537 12.537 43 3HZ LYS 4 1HZ LYS 4 2.367 13.414 13.414 44 H GLY 5 H GLY 5 4.810 8.531 8.531 45 1HA GLY 5 2HA GLY 5 4.869 10.175 10.175 46 2HA GLY 5 1HA GLY 5 6.342 10.792 10.792 47 H GLN 6 H GLN 6 6.426 7.451 7.451 48 HA GLN 6 HA GLN 6 8.136 7.392 7.392 49 1HB GLN 6 2HB GLN 6 8.907 6.632 6.632 50 2HB GLN 6 1HB GLN 6 7.857 5.244 5.244 51 1HG GLN 6 2HG GLN 6 9.133 4.491 4.491 52 2HG GLN 6 1HG GLN 6 10.044 5.995 5.995 53 1HE2 GLN 6 2HE2 GLN 6 11.760 5.032 5.032 54 2HE2 GLN 6 1HE2 GLN 6 10.780 6.332 6.332 55 H SER 7 H SER 7 7.935 5.761 5.761 56 HA SER 7 HA SER 7 5.325 5.163 5.163 57 1HB SER 7 2HB SER 7 6.582 3.704 3.704 58 2HB SER 7 1HB SER 7 7.222 5.346 5.346 59 HG SER 7 HG SER 7 8.154 3.015 3.015 60 H CYS 8 H CYS 8 3.947 3.698 3.698 61 HA CYS 8 HA CYS 8 4.660 0.941 0.941 62 1HB CYS 8 2HB CYS 8 3.495 1.083 1.083 63 2HB CYS 8 1HB CYS 8 5.060 1.837 1.837 64 H ARG 9 H ARG 9 2.447 -0.026 -0.026 65 HA ARG 9 HA ARG 9 0.147 0.895 0.895 66 1HB ARG 9 2HB ARG 9 1.326 -1.882 -1.882 67 2HB ARG 9 1HB ARG 9 -0.359 -1.685 -1.685 68 1HG ARG 9 2HG ARG 9 0.097 -1.065 -1.065 69 2HG ARG 9 1HG ARG 9 1.372 0.035 0.035 70 1HD ARG 9 2HD ARG 9 3.034 -1.518 -1.518 71 2HD ARG 9 1HD ARG 9 2.075 -2.865 -2.865 72 HE ARG 9 HE ARG 9 2.280 -1.980 -1.980 73 1HH1 ARG 9 1HH2 ARG 9 0.269 -3.554 -3.554 74 2HH1 ARG 9 2HH2 ARG 9 -0.608 -4.454 -4.454 75 1HH2 ARG 9 2HH1 ARG 9 1.179 -3.104 -3.104 76 2HH2 ARG 9 1HH1 ARG 9 -0.089 -4.195 -4.195 77 H LYS 10 H LYS 10 -1.795 0.880 0.880 78 HA LYS 10 HA LYS 10 -2.038 1.029 1.029 79 1HB LYS 10 2HB LYS 10 -3.617 1.653 1.653 80 2HB LYS 10 1HB LYS 10 -4.340 0.089 0.089 81 1HG LYS 10 2HG LYS 10 -5.070 0.691 0.691 82 2HG LYS 10 1HG LYS 10 -3.945 2.032 2.032 83 1HD LYS 10 2HD LYS 10 -5.202 3.066 3.066 84 2HD LYS 10 1HD LYS 10 -6.417 1.835 1.835 85 1HE LYS 10 2HE LYS 10 -7.212 2.855 2.855 86 2HE LYS 10 1HE LYS 10 -5.617 3.365 3.365 87 1HZ LYS 10 2HZ LYS 10 -7.146 4.609 4.609 88 2HZ LYS 10 1HZ LYS 10 -7.036 5.213 5.213 89 3HZ LYS 10 3HZ LYS 10 -5.647 5.126 5.126 90 H THR 11 H THR 11 -2.795 -0.245 -0.245 91 HA THR 11 HA THR 11 -3.002 -2.114 -2.114 92 HB THR 11 HB THR 11 -4.972 -2.322 -2.322 93 HG1 THR 11 HG1 THR 11 -4.081 -4.290 -4.290 94 1HG2 THR 11 2HG2 THR 11 -3.191 -4.121 -4.121 95 2HG2 THR 11 1HG2 THR 11 -4.060 -5.174 -5.174 96 3HG2 THR 11 3HG2 THR 11 -4.935 -4.225 -4.225 97 H SER 12 H SER 12 -0.627 -1.968 -1.968 98 HA SER 12 HA SER 12 0.230 -4.776 -4.776 99 1HB SER 12 2HB SER 12 0.737 -2.935 -2.935 100 2HB SER 12 1HB SER 12 2.055 -2.455 -2.455 101 HG SER 12 HG SER 12 2.988 -4.083 -4.083 102 H TYR 13 H TYR 13 0.439 -2.145 -2.145 103 HA TYR 13 HA TYR 13 1.625 -1.663 -1.663 104 1HB TYR 13 2HB TYR 13 1.327 -4.693 -4.693 105 2HB TYR 13 1HB TYR 13 2.164 -3.905 -3.905 106 HD1 TYR 13 HD2 TYR 13 -1.058 -4.200 -4.200 107 HD2 TYR 13 HD1 TYR 13 0.965 -2.437 -2.437 108 HE1 TYR 13 HE2 TYR 13 -3.212 -3.555 -3.555 109 HE2 TYR 13 HE1 TYR 13 -1.190 -1.795 -1.795 110 HH TYR 13 HH TYR 13 -3.391 -1.807 -1.807 111 H ASP 14 H ASP 14 3.150 -1.914 -1.914 112 HA ASP 14 HA ASP 14 5.736 -3.062 -3.062 113 1HB ASP 14 2HB ASP 14 4.494 -1.468 -1.468 114 2HB ASP 14 1HB ASP 14 6.238 -1.385 -1.385 115 H CYS 15 H CYS 15 4.301 0.105 0.105 116 HA CYS 15 HA CYS 15 6.820 1.433 1.433 117 1HB CYS 15 2HB CYS 15 4.251 2.623 2.623 118 2HB CYS 15 1HB CYS 15 5.631 3.365 3.365 119 H CYS 16 H CYS 16 7.659 2.121 2.121 120 HA CYS 16 HA CYS 16 7.807 0.654 0.654 121 1HB CYS 16 2HB CYS 16 8.474 3.346 3.346 122 2HB CYS 16 1HB CYS 16 8.749 2.924 2.924 123 H SER 17 H SER 17 6.425 3.719 3.719 124 HA SER 17 HA SER 17 5.108 4.071 4.071 125 1HB SER 17 2HB SER 17 4.048 6.080 6.080 126 2HB SER 17 1HB SER 17 5.803 6.005 6.005 127 HG SER 17 HG SER 17 3.915 4.853 4.853 128 H GLY 18 H GLY 18 4.220 1.955 1.955 129 1HA GLY 18 2HA GLY 18 2.019 0.812 0.812 130 2HA GLY 18 1HA GLY 18 1.284 2.334 2.334 131 H SER 19 H SER 19 0.447 2.393 2.393 132 HA SER 19 HA SER 19 1.581 0.718 0.718 133 1HB SER 19 2HB SER 19 -1.440 0.962 0.962 134 2HB SER 19 1HB SER 19 -0.564 -0.202 -0.202 135 HG SER 19 HG SER 19 -0.407 0.015 0.015 136 H CYS 20 H CYS 20 0.299 1.247 1.247 137 HA CYS 20 HA CYS 20 0.666 4.107 4.107 138 1HB CYS 20 2HB CYS 20 0.997 1.715 1.715 139 2HB CYS 20 1HB CYS 20 -0.412 2.418 2.418 140 H GLY 21 H GLY 21 -1.056 4.913 4.913 141 1HA GLY 21 2HA GLY 21 -3.675 4.390 4.390 142 2HA GLY 21 1HA GLY 21 -3.645 4.943 4.943 143 H ARG 22 H ARG 22 -1.282 6.506 6.506 144 HA ARG 22 HA ARG 22 -2.906 8.981 8.981 145 1HB ARG 22 2HB ARG 22 0.054 8.382 8.382 146 2HB ARG 22 1HB ARG 22 -0.523 9.997 9.997 147 1HG ARG 22 2HG ARG 22 -1.373 8.448 8.448 148 2HG ARG 22 1HG ARG 22 0.025 9.499 9.499 149 1HD ARG 22 2HD ARG 22 -1.929 11.171 11.171 150 2HD ARG 22 1HD ARG 22 -2.860 10.207 10.207 151 HE ARG 22 HE ARG 22 -1.744 11.250 11.250 152 1HH1 ARG 22 2HH1 ARG 22 -0.084 11.832 11.832 153 2HH1 ARG 22 1HH1 ARG 22 0.993 12.995 12.995 154 1HH2 ARG 22 1HH2 ARG 22 -0.390 12.716 12.716 155 2HH2 ARG 22 2HH2 ARG 22 0.817 13.506 13.506 156 H SER 23 H SER 23 -3.135 6.839 6.839 157 HA SER 23 HA SER 23 -3.602 6.428 6.428 158 1HB SER 23 2HB SER 23 -3.904 8.296 8.296 159 2HB SER 23 1HB SER 23 -3.928 9.114 9.114 160 HG SER 23 HG SER 23 -2.111 10.023 10.023 161 H GLY 24 H GLY 24 -1.092 5.831 5.831 162 1HA GLY 24 2HA GLY 24 0.427 4.300 4.300 163 2HA GLY 24 1HA GLY 24 0.771 5.717 5.717 164 H LYS 25 H LYS 25 0.384 6.936 6.936 165 HA LYS 25 HA LYS 25 3.301 6.762 6.762 166 1HB LYS 25 2HB LYS 25 3.036 8.976 8.976 167 2HB LYS 25 1HB LYS 25 1.335 9.035 9.035 168 1HG LYS 25 2HG LYS 25 1.914 8.916 8.916 169 2HG LYS 25 1HG LYS 25 3.589 8.872 8.872 170 1HD LYS 25 2HD LYS 25 1.527 11.101 11.101 171 2HD LYS 25 1HD LYS 25 2.841 11.198 11.198 172 1HE LYS 25 2HE LYS 25 3.923 12.308 12.308 173 2HE LYS 25 1HE LYS 25 4.251 10.707 10.707 174 1HZ LYS 25 1HZ LYS 25 1.907 12.382 12.382 175 2HZ LYS 25 3HZ LYS 25 3.286 12.160 12.160 176 3HZ LYS 25 2HZ LYS 25 2.256 10.849 10.849 177 H CYS 26 H CYS 26 3.976 6.678 6.678 178 HA CYS 26 HA CYS 26 2.498 4.912 4.912 179 1HB CYS 26 2HB CYS 26 5.118 6.346 6.346 180 2HB CYS 26 1HB CYS 26 4.491 5.614 5.614 181 1HN NH2 27 1HT CYS 26 1.084 5.433 5.433 182 2HN NH2 27 2HT CYS 26 0.859 6.952 6.952 Start of MODEL 8 1 1H CYS 1 3H CYS 1 12.572 -0.587 -0.587 2 2H CYS 1 2H CYS 1 12.552 0.328 0.328 3 3H CYS 1 1H CYS 1 12.194 -1.331 -1.331 4 HA CYS 1 HA CYS 1 10.200 -0.998 -0.998 5 1HB CYS 1 2HB CYS 1 9.015 0.521 0.521 6 2HB CYS 1 1HB CYS 1 9.840 -0.850 -0.850 7 H LYS 2 H LYS 2 8.532 0.920 0.920 8 HA LYS 2 HA LYS 2 9.954 2.816 2.816 9 1HB LYS 2 2HB LYS 2 6.941 2.506 2.506 10 2HB LYS 2 1HB LYS 2 7.913 3.070 3.070 11 1HG LYS 2 2HG LYS 2 8.190 0.203 0.203 12 2HG LYS 2 1HG LYS 2 6.886 0.676 0.676 13 1HD LYS 2 2HD LYS 2 8.797 1.753 1.753 14 2HD LYS 2 1HD LYS 2 9.865 0.725 0.725 15 1HE LYS 2 2HE LYS 2 8.580 -1.278 -1.278 16 2HE LYS 2 1HE LYS 2 7.436 -0.266 -0.266 17 1HZ LYS 2 1HZ LYS 2 10.327 -0.246 -0.246 18 2HZ LYS 2 3HZ LYS 2 9.250 -1.328 -1.328 19 3HZ LYS 2 2HZ LYS 2 9.051 0.346 0.346 20 H LEU 3 H LEU 3 10.375 4.763 4.763 21 HA LEU 3 HA LEU 3 9.462 5.878 5.878 22 1HB LEU 3 2HB LEU 3 11.518 6.319 6.319 23 2HB LEU 3 1HB LEU 3 10.456 7.552 7.552 24 HG LEU 3 HG LEU 3 12.020 8.480 8.480 25 1HD1 LEU 3 1HD1 LEU 3 9.459 9.124 9.124 26 2HD1 LEU 3 3HD1 LEU 3 9.430 8.526 8.526 27 3HD1 LEU 3 2HD1 LEU 3 10.502 9.847 9.847 28 1HD2 LEU 3 3HD2 LEU 3 12.153 6.251 6.251 29 2HD2 LEU 3 2HD2 LEU 3 12.251 7.754 7.754 30 3HD2 LEU 3 1HD2 LEU 3 10.753 6.843 6.843 31 H LYS 4 H LYS 4 7.940 7.592 7.592 32 HA LYS 4 HA LYS 4 5.484 7.424 7.424 33 1HB LYS 4 2HB LYS 4 6.008 8.362 8.362 34 2HB LYS 4 1HB LYS 4 6.431 9.858 9.858 35 1HG LYS 4 2HG LYS 4 3.738 8.478 8.478 36 2HG LYS 4 1HG LYS 4 3.994 9.570 9.570 37 1HD LYS 4 2HD LYS 4 4.797 11.307 11.307 38 2HD LYS 4 1HD LYS 4 4.103 10.228 10.228 39 1HE LYS 4 2HE LYS 4 2.381 11.812 11.812 40 2HE LYS 4 1HE LYS 4 1.916 10.323 10.323 41 1HZ LYS 4 1HZ LYS 4 3.454 12.475 12.475 42 2HZ LYS 4 3HZ LYS 4 1.758 12.379 12.379 43 3HZ LYS 4 2HZ LYS 4 2.695 11.141 11.141 44 H GLY 5 H GLY 5 4.982 8.174 8.174 45 1HA GLY 5 2HA GLY 5 4.794 9.937 9.937 46 2HA GLY 5 1HA GLY 5 6.246 10.649 10.649 47 H GLN 6 H GLN 6 6.455 7.293 7.293 48 HA GLN 6 HA GLN 6 8.076 7.409 7.409 49 1HB GLN 6 2HB GLN 6 9.093 6.670 6.670 50 2HB GLN 6 1HB GLN 6 8.078 5.242 5.242 51 1HG GLN 6 2HG GLN 6 9.175 4.597 4.597 52 2HG GLN 6 1HG GLN 6 10.150 6.062 6.062 53 1HE2 GLN 6 2HE2 GLN 6 11.978 4.811 4.811 54 2HE2 GLN 6 1HE2 GLN 6 11.142 6.221 6.221 55 H SER 7 H SER 7 8.038 5.543 5.543 56 HA SER 7 HA SER 7 5.476 4.876 4.876 57 1HB SER 7 2HB SER 7 6.846 3.185 3.185 58 2HB SER 7 1HB SER 7 7.377 4.865 4.865 59 HG SER 7 HG SER 7 8.388 3.347 3.347 60 H CYS 8 H CYS 8 4.082 3.485 3.485 61 HA CYS 8 HA CYS 8 4.675 0.801 0.801 62 1HB CYS 8 2HB CYS 8 3.461 1.122 1.122 63 2HB CYS 8 1HB CYS 8 4.881 2.131 2.131 64 H ARG 9 H ARG 9 2.295 0.070 0.070 65 HA ARG 9 HA ARG 9 0.174 0.937 0.937 66 1HB ARG 9 2HB ARG 9 1.261 -1.888 -1.888 67 2HB ARG 9 1HB ARG 9 -0.361 -1.608 -1.608 68 1HG ARG 9 2HG ARG 9 0.829 -0.003 -0.003 69 2HG ARG 9 1HG ARG 9 2.288 -0.860 -0.860 70 1HD ARG 9 2HD ARG 9 -0.230 -2.317 -2.317 71 2HD ARG 9 1HD ARG 9 1.020 -1.796 -1.796 72 HE ARG 9 HE ARG 9 2.292 -3.225 -3.225 73 1HH1 ARG 9 1HH2 ARG 9 0.064 -3.726 -3.726 74 2HH1 ARG 9 2HH2 ARG 9 0.530 -5.377 -5.377 75 1HH2 ARG 9 2HH1 ARG 9 2.899 -5.316 -5.316 76 2HH2 ARG 9 1HH1 ARG 9 2.159 -6.293 -6.293 77 H LYS 10 H LYS 10 -1.861 0.763 0.763 78 HA LYS 10 HA LYS 10 -2.235 0.969 0.969 79 1HB LYS 10 2HB LYS 10 -4.690 0.661 0.661 80 2HB LYS 10 1HB LYS 10 -3.896 1.877 1.877 81 1HG LYS 10 2HG LYS 10 -3.762 0.411 0.411 82 2HG LYS 10 1HG LYS 10 -4.247 -0.988 -0.988 83 1HD LYS 10 2HD LYS 10 -6.472 0.002 0.002 84 2HD LYS 10 1HD LYS 10 -6.002 1.453 1.453 85 1HE LYS 10 2HE LYS 10 -5.727 0.168 0.168 86 2HE LYS 10 1HE LYS 10 -6.054 -1.337 -1.337 87 1HZ LYS 10 2HZ LYS 10 -8.049 0.760 0.760 88 2HZ LYS 10 1HZ LYS 10 -7.905 0.025 0.025 89 3HZ LYS 10 3HZ LYS 10 -8.240 -0.920 -0.920 90 H THR 11 H THR 11 -3.013 -0.351 -0.351 91 HA THR 11 HA THR 11 -3.356 -2.249 -2.249 92 HB THR 11 HB THR 11 -4.952 -2.618 -2.618 93 HG1 THR 11 HG1 THR 11 -5.948 -3.468 -3.468 94 1HG2 THR 11 2HG2 THR 11 -3.087 -4.349 -4.349 95 2HG2 THR 11 1HG2 THR 11 -3.648 -5.344 -5.344 96 3HG2 THR 11 3HG2 THR 11 -4.758 -4.869 -4.869 97 H SER 12 H SER 12 -0.915 -2.131 -2.131 98 HA SER 12 HA SER 12 0.220 -4.771 -4.771 99 1HB SER 12 2HB SER 12 0.594 -2.898 -2.898 100 2HB SER 12 1HB SER 12 1.981 -2.495 -2.495 101 HG SER 12 HG SER 12 2.238 -4.900 -4.900 102 H TYR 13 H TYR 13 0.424 -1.704 -1.704 103 HA TYR 13 HA TYR 13 1.523 -0.861 -0.861 104 1HB TYR 13 2HB TYR 13 1.511 -3.772 -3.772 105 2HB TYR 13 1HB TYR 13 1.559 -2.395 -2.395 106 HD1 TYR 13 HD2 TYR 13 -0.511 -0.588 -0.588 107 HD2 TYR 13 HD1 TYR 13 -0.538 -4.845 -4.845 108 HE1 TYR 13 HE2 TYR 13 -2.954 -0.576 -0.576 109 HE2 TYR 13 HE1 TYR 13 -2.983 -4.825 -4.825 110 HH TYR 13 HH TYR 13 -4.818 -3.597 -3.597 111 H ASP 14 H ASP 14 3.224 -1.970 -1.970 112 HA ASP 14 HA ASP 14 5.630 -3.065 -3.065 113 1HB ASP 14 2HB ASP 14 4.862 -1.611 -1.611 114 2HB ASP 14 1HB ASP 14 6.552 -1.952 -1.952 115 H CYS 15 H CYS 15 4.295 0.028 0.028 116 HA CYS 15 HA CYS 15 6.739 1.546 1.546 117 1HB CYS 15 2HB CYS 15 4.127 2.385 2.385 118 2HB CYS 15 1HB CYS 15 5.370 3.367 3.367 119 H CYS 16 H CYS 16 7.443 2.630 2.630 120 HA CYS 16 HA CYS 16 8.251 1.119 1.119 121 1HB CYS 16 2HB CYS 16 8.029 3.926 3.926 122 2HB CYS 16 1HB CYS 16 8.699 3.502 3.502 123 H SER 17 H SER 17 6.074 3.750 3.750 124 HA SER 17 HA SER 17 4.893 3.406 3.406 125 1HB SER 17 2HB SER 17 3.843 4.996 4.996 126 2HB SER 17 1HB SER 17 3.311 5.196 5.196 127 HG SER 17 HG SER 17 5.332 6.356 6.356 128 H GLY 18 H GLY 18 4.497 1.711 1.711 129 1HA GLY 18 2HA GLY 18 3.061 0.005 0.005 130 2HA GLY 18 1HA GLY 18 2.460 -0.021 -0.021 131 H SER 19 H SER 19 2.403 2.502 2.502 132 HA SER 19 HA SER 19 -0.535 2.293 2.293 133 1HB SER 19 2HB SER 19 0.033 5.124 5.124 134 2HB SER 19 1HB SER 19 -1.012 4.117 4.117 135 HG SER 19 HG SER 19 1.809 4.210 4.210 136 H CYS 20 H CYS 20 -1.126 2.633 2.633 137 HA CYS 20 HA CYS 20 0.232 4.420 4.420 138 1HB CYS 20 2HB CYS 20 1.497 2.227 2.227 139 2HB CYS 20 1HB CYS 20 0.025 1.457 1.457 140 H GLY 21 H GLY 21 -0.840 4.573 4.573 141 1HA GLY 21 2HA GLY 21 -2.857 3.883 3.883 142 2HA GLY 21 1HA GLY 21 -3.776 3.966 3.966 143 H ARG 22 H ARG 22 -1.248 6.193 6.193 144 HA ARG 22 HA ARG 22 -3.164 8.463 8.463 145 1HB ARG 22 2HB ARG 22 -0.167 8.822 8.822 146 2HB ARG 22 1HB ARG 22 -1.373 9.829 9.829 147 1HG ARG 22 2HG ARG 22 -0.683 7.037 7.037 148 2HG ARG 22 1HG ARG 22 0.147 8.479 8.479 149 1HD ARG 22 2HD ARG 22 -1.743 9.355 9.355 150 2HD ARG 22 1HD ARG 22 -2.872 8.341 8.341 151 HE ARG 22 HE ARG 22 -1.173 7.517 7.517 152 1HH1 ARG 22 1HH2 ARG 22 -3.312 6.595 6.595 153 2HH1 ARG 22 2HH2 ARG 22 -3.669 5.055 5.055 154 1HH2 ARG 22 2HH1 ARG 22 -1.620 5.564 5.564 155 2HH2 ARG 22 1HH1 ARG 22 -2.700 4.462 4.462 156 H SER 23 H SER 23 -2.886 6.648 6.648 157 HA SER 23 HA SER 23 -3.180 6.700 6.700 158 1HB SER 23 2HB SER 23 -3.125 8.767 8.767 159 2HB SER 23 1HB SER 23 -3.358 9.379 9.379 160 HG SER 23 HG SER 23 -1.530 10.338 10.338 161 H GLY 24 H GLY 24 -1.073 5.572 5.572 162 1HA GLY 24 2HA GLY 24 0.609 4.142 4.142 163 2HA GLY 24 1HA GLY 24 1.102 5.514 5.514 164 H LYS 25 H LYS 25 0.607 7.004 7.004 165 HA LYS 25 HA LYS 25 3.418 6.734 6.734 166 1HB LYS 25 2HB LYS 25 3.112 8.989 8.989 167 2HB LYS 25 1HB LYS 25 1.393 8.966 8.966 168 1HG LYS 25 2HG LYS 25 1.775 8.850 8.850 169 2HG LYS 25 1HG LYS 25 3.489 8.735 8.735 170 1HD LYS 25 2HD LYS 25 3.542 11.037 11.037 171 2HD LYS 25 1HD LYS 25 1.799 11.071 11.071 172 1HE LYS 25 2HE LYS 25 1.506 11.742 11.742 173 2HE LYS 25 1HE LYS 25 2.552 10.480 10.480 174 1HZ LYS 25 2HZ LYS 25 4.448 11.905 11.905 175 2HZ LYS 25 1HZ LYS 25 3.311 13.151 13.151 176 3HZ LYS 25 3HZ LYS 25 3.569 12.469 12.469 177 H CYS 26 H CYS 26 3.926 6.786 6.786 178 HA CYS 26 HA CYS 26 2.276 4.978 4.978 179 1HB CYS 26 2HB CYS 26 5.000 6.220 6.220 180 2HB CYS 26 1HB CYS 26 4.254 5.435 5.435 181 1HN NH2 27 1HT CYS 26 0.785 5.692 5.692 182 2HN NH2 27 2HT CYS 26 0.750 7.225 7.225 Start of MODEL 9 1 1H CYS 1 3H CYS 1 12.502 -1.303 -1.303 2 2H CYS 1 2H CYS 1 12.433 -0.455 -0.455 3 3H CYS 1 1H CYS 1 11.863 -2.053 -2.053 4 HA CYS 1 HA CYS 1 10.113 -1.380 -1.380 5 1HB CYS 1 2HB CYS 1 8.899 0.112 0.112 6 2HB CYS 1 1HB CYS 1 9.441 -1.430 -1.430 7 H LYS 2 H LYS 2 8.731 0.735 0.735 8 HA LYS 2 HA LYS 2 10.554 2.585 2.585 9 1HB LYS 2 2HB LYS 2 7.531 2.787 2.787 10 2HB LYS 2 1HB LYS 2 8.728 3.218 3.218 11 1HG LYS 2 2HG LYS 2 8.301 0.317 0.317 12 2HG LYS 2 1HG LYS 2 7.373 1.120 1.120 13 1HD LYS 2 2HD LYS 2 9.433 1.675 1.675 14 2HD LYS 2 1HD LYS 2 10.416 0.959 0.959 15 1HE LYS 2 2HE LYS 2 9.317 -1.252 -1.252 16 2HE LYS 2 1HE LYS 2 8.395 -0.526 -0.526 17 1HZ LYS 2 3HZ LYS 2 10.509 0.080 0.080 18 2HZ LYS 2 2HZ LYS 2 11.339 -0.755 -0.755 19 3HZ LYS 2 1HZ LYS 2 10.307 -1.598 -1.598 20 H LEU 3 H LEU 3 9.884 4.919 4.919 21 HA LEU 3 HA LEU 3 9.462 5.908 5.908 22 1HB LEU 3 2HB LEU 3 11.584 6.320 6.320 23 2HB LEU 3 1HB LEU 3 10.614 7.305 7.305 24 HG LEU 3 HG LEU 3 12.046 8.447 8.447 25 1HD1 LEU 3 1HD1 LEU 3 9.688 9.203 9.203 26 2HD1 LEU 3 3HD1 LEU 3 9.392 9.621 9.621 27 3HD1 LEU 3 2HD1 LEU 3 10.797 10.261 10.261 28 1HD2 LEU 3 3HD2 LEU 3 11.249 6.896 6.896 29 2HD2 LEU 3 2HD2 LEU 3 11.224 8.608 8.608 30 3HD2 LEU 3 1HD2 LEU 3 9.730 7.774 7.774 31 H LYS 4 H LYS 4 8.316 8.061 8.061 32 HA LYS 4 HA LYS 4 5.665 7.823 7.823 33 1HB LYS 4 2HB LYS 4 6.447 9.174 9.174 34 2HB LYS 4 1HB LYS 4 7.025 10.403 10.403 35 1HG LYS 4 2HG LYS 4 4.141 9.431 9.431 36 2HG LYS 4 1HG LYS 4 4.597 10.598 10.598 37 1HD LYS 4 2HD LYS 4 5.667 11.941 11.941 38 2HD LYS 4 1HD LYS 4 4.652 10.922 10.922 39 1HE LYS 4 2HE LYS 4 2.640 11.673 11.673 40 2HE LYS 4 1HE LYS 4 3.629 12.669 12.669 41 1HZ LYS 4 2HZ LYS 4 3.546 12.952 12.952 42 2HZ LYS 4 1HZ LYS 4 2.631 13.888 13.888 43 3HZ LYS 4 3HZ LYS 4 4.328 13.977 13.977 44 H GLY 5 H GLY 5 4.887 8.187 8.187 45 1HA GLY 5 2HA GLY 5 4.402 8.974 8.974 46 2HA GLY 5 1HA GLY 5 5.408 10.366 10.366 47 H GLN 6 H GLN 6 6.328 7.001 7.001 48 HA GLN 6 HA GLN 6 8.258 7.313 7.313 49 1HB GLN 6 2HB GLN 6 9.031 6.531 6.531 50 2HB GLN 6 1HB GLN 6 8.031 5.105 5.105 51 1HG GLN 6 2HG GLN 6 9.439 4.213 4.213 52 2HG GLN 6 1HG GLN 6 10.008 5.792 5.792 53 1HE2 GLN 6 2HE2 GLN 6 12.131 3.754 3.754 54 2HE2 GLN 6 1HE2 GLN 6 10.822 3.078 3.078 55 H SER 7 H SER 7 8.302 5.521 5.521 56 HA SER 7 HA SER 7 5.839 4.901 4.901 57 1HB SER 7 2HB SER 7 7.236 3.207 3.207 58 2HB SER 7 1HB SER 7 7.897 4.846 4.846 59 HG SER 7 HG SER 7 8.583 2.676 2.676 60 H CYS 8 H CYS 8 4.282 3.612 3.612 61 HA CYS 8 HA CYS 8 4.753 0.860 0.860 62 1HB CYS 8 2HB CYS 8 3.364 1.112 1.112 63 2HB CYS 8 1HB CYS 8 4.763 2.136 2.136 64 H ARG 9 H ARG 9 2.334 0.169 0.169 65 HA ARG 9 HA ARG 9 0.300 0.925 0.925 66 1HB ARG 9 2HB ARG 9 1.374 -1.872 -1.872 67 2HB ARG 9 1HB ARG 9 -0.202 -1.620 -1.620 68 1HG ARG 9 2HG ARG 9 0.818 -0.451 -0.451 69 2HG ARG 9 1HG ARG 9 2.403 -0.557 -0.557 70 1HD ARG 9 2HD ARG 9 2.529 -2.402 -2.402 71 2HD ARG 9 1HD ARG 9 1.847 -3.204 -3.204 72 HE ARG 9 HE ARG 9 0.438 -2.506 -2.506 73 1HH1 ARG 9 1HH2 ARG 9 0.223 -3.684 -3.684 74 2HH1 ARG 9 2HH2 ARG 9 -1.326 -4.410 -4.410 75 1HH2 ARG 9 2HH1 ARG 9 -1.512 -3.415 -3.415 76 2HH2 ARG 9 1HH1 ARG 9 -2.323 -4.255 -4.255 77 H LYS 10 H LYS 10 -1.829 0.695 0.695 78 HA LYS 10 HA LYS 10 -2.045 0.931 0.931 79 1HB LYS 10 2HB LYS 10 -4.509 0.850 0.850 80 2HB LYS 10 1HB LYS 10 -3.708 1.945 1.945 81 1HG LYS 10 2HG LYS 10 -3.774 0.308 0.308 82 2HG LYS 10 1HG LYS 10 -4.401 -0.933 -0.933 83 1HD LYS 10 2HD LYS 10 -6.469 0.319 0.319 84 2HD LYS 10 1HD LYS 10 -5.855 1.680 1.680 85 1HE LYS 10 2HE LYS 10 -6.138 -1.099 -1.099 86 2HE LYS 10 1HE LYS 10 -7.425 0.095 0.095 87 1HZ LYS 10 1HZ LYS 10 -5.670 1.629 1.629 88 2HZ LYS 10 3HZ LYS 10 -4.754 0.224 0.224 89 3HZ LYS 10 2HZ LYS 10 -6.276 0.397 0.397 90 H THR 11 H THR 11 -3.006 -0.546 -0.546 91 HA THR 11 HA THR 11 -3.405 -2.625 -2.625 92 HB THR 11 HB THR 11 -3.600 -3.928 -3.928 93 HG1 THR 11 HG1 THR 11 -4.727 -2.100 -2.100 94 1HG2 THR 11 2HG2 THR 11 -5.317 -3.967 -3.967 95 2HG2 THR 11 1HG2 THR 11 -5.603 -4.906 -4.906 96 3HG2 THR 11 3HG2 THR 11 -4.191 -5.245 -5.245 97 H SER 12 H SER 12 -0.711 -1.918 -1.918 98 HA SER 12 HA SER 12 0.611 -4.536 -4.536 99 1HB SER 12 2HB SER 12 1.067 -2.831 -2.831 100 2HB SER 12 1HB SER 12 1.923 -1.855 -1.855 101 HG SER 12 HG SER 12 2.405 -4.586 -4.586 102 H TYR 13 H TYR 13 0.645 -1.490 -1.490 103 HA TYR 13 HA TYR 13 1.574 -0.763 -0.763 104 1HB TYR 13 2HB TYR 13 1.519 -3.727 -3.727 105 2HB TYR 13 1HB TYR 13 1.542 -2.429 -2.429 106 HD1 TYR 13 HD1 TYR 13 -0.424 -0.604 -0.604 107 HD2 TYR 13 HD2 TYR 13 -0.554 -4.654 -4.654 108 HE1 TYR 13 HE1 TYR 13 -2.867 -0.493 -0.493 109 HE2 TYR 13 HE2 TYR 13 -2.995 -4.537 -4.537 110 HH TYR 13 HH TYR 13 -4.745 -1.559 -1.559 111 H ASP 14 H ASP 14 3.333 -1.880 -1.880 112 HA ASP 14 HA ASP 14 5.714 -3.004 -3.004 113 1HB ASP 14 2HB ASP 14 6.661 -2.164 -2.164 114 2HB ASP 14 1HB ASP 14 5.043 -2.765 -2.765 115 H CYS 15 H CYS 15 4.514 0.208 0.208 116 HA CYS 15 HA CYS 15 7.019 1.530 1.530 117 1HB CYS 15 2HB CYS 15 4.441 2.620 2.620 118 2HB CYS 15 1HB CYS 15 5.764 3.442 3.442 119 H CYS 16 H CYS 16 7.663 2.389 2.389 120 HA CYS 16 HA CYS 16 7.976 0.633 0.633 121 1HB CYS 16 2HB CYS 16 8.231 3.476 3.476 122 2HB CYS 16 1HB CYS 16 8.625 2.894 2.894 123 H SER 17 H SER 17 6.234 3.577 3.577 124 HA SER 17 HA SER 17 4.619 3.112 3.112 125 1HB SER 17 2HB SER 17 3.469 5.256 5.256 126 2HB SER 17 1HB SER 17 5.228 5.429 5.429 127 HG SER 17 HG SER 17 3.439 4.788 4.788 128 H GLY 18 H GLY 18 4.384 2.009 2.009 129 1HA GLY 18 2HA GLY 18 2.747 0.824 0.824 130 2HA GLY 18 1HA GLY 18 1.968 0.539 0.539 131 H SER 19 H SER 19 2.713 3.630 3.630 132 HA SER 19 HA SER 19 0.090 4.721 4.721 133 1HB SER 19 2HB SER 19 2.761 5.689 5.689 134 2HB SER 19 1HB SER 19 1.342 6.647 6.647 135 HG SER 19 HG SER 19 2.079 5.689 5.689 136 H CYS 20 H CYS 20 1.635 3.348 3.348 137 HA CYS 20 HA CYS 20 0.615 4.419 4.419 138 1HB CYS 20 2HB CYS 20 1.807 2.114 2.114 139 2HB CYS 20 1HB CYS 20 0.190 1.466 1.466 140 H GLY 21 H GLY 21 -0.899 4.493 4.493 141 1HA GLY 21 2HA GLY 21 -3.165 3.699 3.699 142 2HA GLY 21 1HA GLY 21 -3.703 3.955 3.955 143 H ARG 22 H ARG 22 -1.294 5.927 5.927 144 HA ARG 22 HA ARG 22 -2.998 8.337 8.337 145 1HB ARG 22 2HB ARG 22 -0.445 7.805 7.805 146 2HB ARG 22 1HB ARG 22 -0.073 8.551 8.551 147 1HG ARG 22 2HG ARG 22 -0.895 10.631 10.631 148 2HG ARG 22 1HG ARG 22 -2.121 9.960 9.960 149 1HD ARG 22 2HD ARG 22 -0.503 10.950 10.950 150 2HD ARG 22 1HD ARG 22 -0.226 9.226 9.226 151 HE ARG 22 HE ARG 22 1.682 9.477 9.477 152 1HH1 ARG 22 2HH1 ARG 22 0.390 12.436 12.436 153 2HH1 ARG 22 1HH1 ARG 22 1.852 13.304 13.304 154 1HH2 ARG 22 1HH2 ARG 22 3.494 10.600 10.600 155 2HH2 ARG 22 2HH2 ARG 22 3.622 12.268 12.268 156 H SER 23 H SER 23 -3.210 6.388 6.388 157 HA SER 23 HA SER 23 -4.001 6.408 6.408 158 1HB SER 23 2HB SER 23 -4.045 8.407 8.407 159 2HB SER 23 1HB SER 23 -3.863 9.116 9.116 160 HG SER 23 HG SER 23 -1.954 8.707 8.707 161 H GLY 24 H GLY 24 -1.349 5.609 5.609 162 1HA GLY 24 2HA GLY 24 -0.130 3.892 3.892 163 2HA GLY 24 1HA GLY 24 0.226 5.242 5.242 164 H LYS 25 H LYS 25 0.294 6.605 6.605 165 HA LYS 25 HA LYS 25 3.224 5.970 5.970 166 1HB LYS 25 2HB LYS 25 2.362 8.470 8.470 167 2HB LYS 25 1HB LYS 25 2.129 8.558 8.558 168 1HG LYS 25 2HG LYS 25 4.287 9.325 9.325 169 2HG LYS 25 1HG LYS 25 4.589 7.629 7.629 170 1HD LYS 25 2HD LYS 25 5.861 7.786 7.786 171 2HD LYS 25 1HD LYS 25 4.336 7.369 7.369 172 1HE LYS 25 2HE LYS 25 5.140 9.268 9.268 173 2HE LYS 25 1HE LYS 25 3.900 9.925 9.925 174 1HZ LYS 25 1HZ LYS 25 6.777 9.873 9.873 175 2HZ LYS 25 3HZ LYS 25 6.001 11.196 11.196 176 3HZ LYS 25 2HZ LYS 25 5.536 10.688 10.688 177 H CYS 26 H CYS 26 3.907 6.598 6.598 178 HA CYS 26 HA CYS 26 2.399 5.038 5.038 179 1HB CYS 26 2HB CYS 26 5.024 6.437 6.437 180 2HB CYS 26 1HB CYS 26 4.372 5.673 5.673 181 1HN NH2 27 1HT CYS 26 0.558 6.136 6.136 182 2HN NH2 27 2HT CYS 26 0.595 7.670 7.670 Start of MODEL 10 1 1H CYS 1 2H CYS 1 12.450 -1.161 -1.161 2 2H CYS 1 1H CYS 1 12.297 -0.505 -0.505 3 3H CYS 1 3H CYS 1 11.802 -2.102 -2.102 4 HA CYS 1 HA CYS 1 10.050 -1.348 -1.348 5 1HB CYS 1 2HB CYS 1 8.812 0.064 0.064 6 2HB CYS 1 1HB CYS 1 9.278 -1.557 -1.557 7 H LYS 2 H LYS 2 8.619 0.785 0.785 8 HA LYS 2 HA LYS 2 10.369 2.758 2.758 9 1HB LYS 2 2HB LYS 2 7.353 2.983 2.983 10 2HB LYS 2 1HB LYS 2 8.493 3.385 3.385 11 1HG LYS 2 2HG LYS 2 7.901 0.521 0.521 12 2HG LYS 2 1HG LYS 2 7.089 1.349 1.349 13 1HD LYS 2 2HD LYS 2 9.288 1.700 1.700 14 2HD LYS 2 1HD LYS 2 10.097 0.869 0.869 15 1HE LYS 2 2HE LYS 2 8.691 -1.170 -1.170 16 2HE LYS 2 1HE LYS 2 8.024 -0.330 -0.330 17 1HZ LYS 2 3HZ LYS 2 10.915 -0.792 -0.792 18 2HZ LYS 2 2HZ LYS 2 9.910 -1.807 -1.807 19 3HZ LYS 2 1HZ LYS 2 10.158 -0.197 -0.197 20 H LEU 3 H LEU 3 9.553 5.106 5.106 21 HA LEU 3 HA LEU 3 9.229 5.836 5.836 22 1HB LEU 3 2HB LEU 3 11.351 6.377 6.377 23 2HB LEU 3 1HB LEU 3 10.376 7.450 7.450 24 HG LEU 3 HG LEU 3 11.812 8.410 8.410 25 1HD1 LEU 3 3HD1 LEU 3 9.388 9.260 9.260 26 2HD1 LEU 3 2HD1 LEU 3 9.238 9.636 9.636 27 3HD1 LEU 3 1HD1 LEU 3 10.600 10.248 10.248 28 1HD2 LEU 3 3HD2 LEU 3 10.959 6.701 6.701 29 2HD2 LEU 3 2HD2 LEU 3 10.962 8.368 8.368 30 3HD2 LEU 3 1HD2 LEU 3 9.457 7.606 7.606 31 H LYS 4 H LYS 4 8.123 8.060 8.060 32 HA LYS 4 HA LYS 4 5.459 7.851 7.851 33 1HB LYS 4 2HB LYS 4 6.452 9.130 9.130 34 2HB LYS 4 1HB LYS 4 6.780 10.429 10.429 35 1HG LYS 4 2HG LYS 4 4.625 10.979 10.979 36 2HG LYS 4 1HG LYS 4 4.246 10.219 10.219 37 1HD LYS 4 2HD LYS 4 2.773 9.090 9.090 38 2HD LYS 4 1HD LYS 4 4.124 7.977 7.977 39 1HE LYS 4 2HE LYS 4 4.998 9.047 9.047 40 2HE LYS 4 1HE LYS 4 3.599 10.112 10.112 41 1HZ LYS 4 3HZ LYS 4 3.490 7.155 7.155 42 2HZ LYS 4 2HZ LYS 4 3.322 8.190 8.190 43 3HZ LYS 4 1HZ LYS 4 2.167 8.214 8.214 44 H GLY 5 H GLY 5 4.635 8.288 8.288 45 1HA GLY 5 2HA GLY 5 4.149 9.069 9.069 46 2HA GLY 5 1HA GLY 5 5.038 10.524 10.524 47 H GLN 6 H GLN 6 6.126 7.192 7.192 48 HA GLN 6 HA GLN 6 8.013 7.676 7.676 49 1HB GLN 6 2HB GLN 6 8.820 7.041 7.041 50 2HB GLN 6 1HB GLN 6 8.229 5.438 5.438 51 1HG GLN 6 2HG GLN 6 9.739 5.840 5.840 52 2HG GLN 6 1HG GLN 6 10.536 7.000 7.000 53 1HE2 GLN 6 2HE2 GLN 6 11.932 4.507 4.507 54 2HE2 GLN 6 1HE2 GLN 6 11.446 6.131 6.131 55 H SER 7 H SER 7 8.330 5.630 5.630 56 HA SER 7 HA SER 7 5.945 4.738 4.738 57 1HB SER 7 2HB SER 7 7.495 3.037 3.037 58 2HB SER 7 1HB SER 7 8.057 4.709 4.709 59 HG SER 7 HG SER 7 9.718 3.443 3.443 60 H CYS 8 H CYS 8 4.469 3.384 3.384 61 HA CYS 8 HA CYS 8 5.058 0.767 0.767 62 1HB CYS 8 2HB CYS 8 3.755 1.129 1.129 63 2HB CYS 8 1HB CYS 8 4.983 2.363 2.363 64 H ARG 9 H ARG 9 2.537 0.171 0.171 65 HA ARG 9 HA ARG 9 0.618 0.755 0.755 66 1HB ARG 9 2HB ARG 9 1.868 -1.208 -1.208 67 2HB ARG 9 1HB ARG 9 1.611 -2.054 -2.054 68 1HG ARG 9 2HG ARG 9 -0.612 -2.533 -2.533 69 2HG ARG 9 1HG ARG 9 -0.866 -1.051 -1.051 70 1HD ARG 9 2HD ARG 9 0.580 -2.058 -2.058 71 2HD ARG 9 1HD ARG 9 0.532 -3.570 -3.570 72 HE ARG 9 HE ARG 9 -1.685 -3.862 -3.862 73 1HH1 ARG 9 1HH2 ARG 9 -0.726 -0.558 -0.558 74 2HH1 ARG 9 2HH2 ARG 9 -2.180 -0.140 -0.140 75 1HH2 ARG 9 2HH1 ARG 9 -3.530 -3.346 -3.346 76 2HH2 ARG 9 1HH1 ARG 9 -3.791 -1.736 -1.736 77 H LYS 10 H LYS 10 -1.426 0.766 0.766 78 HA LYS 10 HA LYS 10 -2.058 0.932 0.932 79 1HB LYS 10 2HB LYS 10 -4.430 0.762 0.762 80 2HB LYS 10 1HB LYS 10 -3.512 1.823 1.823 81 1HG LYS 10 2HG LYS 10 -3.348 -0.877 -0.877 82 2HG LYS 10 1HG LYS 10 -5.024 -0.530 -0.530 83 1HD LYS 10 2HD LYS 10 -4.810 1.619 1.619 84 2HD LYS 10 1HD LYS 10 -3.167 1.160 1.160 85 1HE LYS 10 2HE LYS 10 -4.354 -1.098 -1.098 86 2HE LYS 10 1HE LYS 10 -5.770 -0.064 -0.064 87 1HZ LYS 10 1HZ LYS 10 -3.242 0.821 0.821 88 2HZ LYS 10 3HZ LYS 10 -4.227 -0.288 -0.288 89 3HZ LYS 10 2HZ LYS 10 -4.835 1.243 1.243 90 H THR 11 H THR 11 -3.067 -0.408 -0.408 91 HA THR 11 HA THR 11 -3.259 -2.335 -2.335 92 HB THR 11 HB THR 11 -4.741 -4.079 -4.079 93 HG1 THR 11 HG1 THR 11 -3.446 -4.038 -4.038 94 1HG2 THR 11 3HG2 THR 11 -5.724 -1.697 -1.697 95 2HG2 THR 11 2HG2 THR 11 -5.440 -1.414 -1.414 96 3HG2 THR 11 1HG2 THR 11 -6.552 -2.674 -2.674 97 H SER 12 H SER 12 -0.785 -2.084 -2.084 98 HA SER 12 HA SER 12 0.108 -4.930 -4.930 99 1HB SER 12 2HB SER 12 0.266 -3.333 -3.333 100 2HB SER 12 1HB SER 12 1.685 -2.673 -2.673 101 HG SER 12 HG SER 12 1.556 -4.888 -4.888 102 H TYR 13 H TYR 13 0.345 -1.970 -1.970 103 HA TYR 13 HA TYR 13 1.651 -1.047 -1.047 104 1HB TYR 13 2HB TYR 13 1.928 -3.951 -3.951 105 2HB TYR 13 1HB TYR 13 1.915 -2.559 -2.559 106 HD1 TYR 13 HD2 TYR 13 -0.255 -1.089 -1.089 107 HD2 TYR 13 HD1 TYR 13 -0.092 -5.031 -5.031 108 HE1 TYR 13 HE2 TYR 13 -2.698 -1.239 -1.239 109 HE2 TYR 13 HE1 TYR 13 -2.532 -5.175 -5.175 110 HH TYR 13 HH TYR 13 -4.424 -4.137 -4.137 111 H ASP 14 H ASP 14 3.162 -1.647 -1.647 112 HA ASP 14 HA ASP 14 5.697 -2.810 -2.810 113 1HB ASP 14 2HB ASP 14 4.584 -0.839 -0.839 114 2HB ASP 14 1HB ASP 14 6.325 -1.007 -1.007 115 H CYS 15 H CYS 15 4.443 0.391 0.391 116 HA CYS 15 HA CYS 15 6.922 1.641 1.641 117 1HB CYS 15 2HB CYS 15 4.351 2.630 2.630 118 2HB CYS 15 1HB CYS 15 5.679 3.504 3.504 119 H CYS 16 H CYS 16 7.643 2.274 2.274 120 HA CYS 16 HA CYS 16 7.881 0.414 0.414 121 1HB CYS 16 2HB CYS 16 8.287 3.257 3.257 122 2HB CYS 16 1HB CYS 16 8.663 2.562 2.562 123 H SER 17 H SER 17 6.318 3.464 3.464 124 HA SER 17 HA SER 17 4.741 3.108 3.108 125 1HB SER 17 2HB SER 17 3.676 5.284 5.284 126 2HB SER 17 1HB SER 17 5.432 5.378 5.378 127 HG SER 17 HG SER 17 3.456 4.869 4.869 128 H GLY 18 H GLY 18 4.324 2.020 2.020 129 1HA GLY 18 2HA GLY 18 2.598 0.862 0.862 130 2HA GLY 18 1HA GLY 18 1.881 0.626 0.626 131 H SER 19 H SER 19 2.640 3.716 3.716 132 HA SER 19 HA SER 19 0.020 4.813 4.813 133 1HB SER 19 2HB SER 19 2.655 5.797 5.797 134 2HB SER 19 1HB SER 19 1.208 6.758 6.758 135 HG SER 19 HG SER 19 2.301 5.913 5.913 136 H CYS 20 H CYS 20 1.575 3.473 3.473 137 HA CYS 20 HA CYS 20 0.634 4.377 4.377 138 1HB CYS 20 2HB CYS 20 1.643 2.022 2.022 139 2HB CYS 20 1HB CYS 20 0.005 1.492 1.492 140 H GLY 21 H GLY 21 -0.874 4.818 4.818 141 1HA GLY 21 2HA GLY 21 -3.220 4.010 4.010 142 2HA GLY 21 1HA GLY 21 -3.705 4.483 4.483 143 H ARG 22 H ARG 22 -1.133 6.156 6.156 144 HA ARG 22 HA ARG 22 -2.702 8.663 8.663 145 1HB ARG 22 2HB ARG 22 0.219 7.936 7.936 146 2HB ARG 22 1HB ARG 22 -0.161 9.503 9.503 147 1HG ARG 22 2HG ARG 22 -1.480 8.603 8.603 148 2HG ARG 22 1HG ARG 22 0.146 9.258 9.258 149 1HD ARG 22 2HD ARG 22 -0.585 11.344 11.344 150 2HD ARG 22 1HD ARG 22 -2.221 10.723 10.723 151 HE ARG 22 HE ARG 22 -1.732 10.440 10.440 152 1HH1 ARG 22 2HH1 ARG 22 -1.698 13.021 13.021 153 2HH1 ARG 22 1HH1 ARG 22 -2.145 14.222 14.222 154 1HH2 ARG 22 1HH2 ARG 22 -2.298 11.942 11.942 155 2HH2 ARG 22 2HH2 ARG 22 -2.489 13.603 13.603 156 H SER 23 H SER 23 -2.995 6.579 6.579 157 HA SER 23 HA SER 23 -3.627 6.370 6.370 158 1HB SER 23 2HB SER 23 -3.602 8.267 8.267 159 2HB SER 23 1HB SER 23 -3.476 9.094 9.094 160 HG SER 23 HG SER 23 -1.581 9.735 9.735 161 H GLY 24 H GLY 24 -1.340 5.327 5.327 162 1HA GLY 24 2HA GLY 24 0.007 3.578 3.578 163 2HA GLY 24 1HA GLY 24 0.462 4.785 4.785 164 H LYS 25 H LYS 25 0.476 6.670 6.670 165 HA LYS 25 HA LYS 25 3.363 6.105 6.105 166 1HB LYS 25 2HB LYS 25 2.287 8.557 8.557 167 2HB LYS 25 1HB LYS 25 2.049 8.554 8.554 168 1HG LYS 25 2HG LYS 25 4.140 9.495 9.495 169 2HG LYS 25 1HG LYS 25 4.557 7.809 7.809 170 1HD LYS 25 2HD LYS 25 5.803 8.000 8.000 171 2HD LYS 25 1HD LYS 25 4.290 7.746 7.746 172 1HE LYS 25 2HE LYS 25 5.390 10.499 10.499 173 2HE LYS 25 1HE LYS 25 5.576 9.743 9.743 174 1HZ LYS 25 2HZ LYS 25 3.032 9.529 9.529 175 2HZ LYS 25 1HZ LYS 25 3.137 10.742 10.742 176 3HZ LYS 25 3HZ LYS 25 3.728 11.030 11.030 177 H CYS 26 H CYS 26 3.855 6.841 6.841 178 HA CYS 26 HA CYS 26 2.384 5.071 5.071 179 1HB CYS 26 2HB CYS 26 4.887 6.640 6.640 180 2HB CYS 26 1HB CYS 26 4.217 5.770 5.770 181 1HN NH2 27 1HT CYS 26 0.376 6.121 6.121 182 2HN NH2 27 2HT CYS 26 0.294 7.569 7.569 Start of MODEL 11 1 1H CYS 1 3H CYS 1 12.518 0.118 0.118 2 2H CYS 1 2H CYS 1 12.034 -1.502 -1.502 3 3H CYS 1 1H CYS 1 12.522 -0.907 -0.907 4 HA CYS 1 HA CYS 1 10.149 -1.093 -1.093 5 1HB CYS 1 2HB CYS 1 8.955 0.465 0.465 6 2HB CYS 1 1HB CYS 1 9.653 -0.969 -0.969 7 H LYS 2 H LYS 2 8.610 0.938 0.938 8 HA LYS 2 HA LYS 2 10.217 2.738 2.738 9 1HB LYS 2 2HB LYS 2 7.191 2.737 2.737 10 2HB LYS 2 1HB LYS 2 8.259 3.142 3.142 11 1HG LYS 2 2HG LYS 2 8.147 0.296 0.296 12 2HG LYS 2 1HG LYS 2 6.999 0.892 0.892 13 1HD LYS 2 2HD LYS 2 8.864 1.509 1.509 14 2HD LYS 2 1HD LYS 2 10.029 0.950 0.950 15 1HE LYS 2 2HE LYS 2 9.021 -1.344 -1.344 16 2HE LYS 2 1HE LYS 2 7.915 -0.776 -0.776 17 1HZ LYS 2 3HZ LYS 2 10.163 -0.004 -0.004 18 2HZ LYS 2 2HZ LYS 2 10.781 -1.277 -1.277 19 3HZ LYS 2 1HZ LYS 2 9.560 -1.579 -1.579 20 H LEU 3 H LEU 3 10.251 4.912 4.912 21 HA LEU 3 HA LEU 3 9.648 6.078 6.078 22 1HB LEU 3 2HB LEU 3 11.694 6.523 6.523 23 2HB LEU 3 1HB LEU 3 10.673 7.336 7.336 24 HG LEU 3 HG LEU 3 11.987 8.811 8.811 25 1HD1 LEU 3 3HD1 LEU 3 9.518 9.212 9.212 26 2HD1 LEU 3 2HD1 LEU 3 9.202 9.638 9.638 27 3HD1 LEU 3 1HD1 LEU 3 10.482 10.446 10.446 28 1HD2 LEU 3 2HD2 LEU 3 11.491 7.354 7.354 29 2HD2 LEU 3 1HD2 LEU 3 11.319 9.085 9.085 30 3HD2 LEU 3 3HD2 LEU 3 9.894 8.082 8.082 31 H LYS 4 H LYS 4 8.125 7.773 7.773 32 HA LYS 4 HA LYS 4 5.623 7.541 7.541 33 1HB LYS 4 2HB LYS 4 6.074 8.447 8.447 34 2HB LYS 4 1HB LYS 4 6.555 9.954 9.954 35 1HG LYS 4 2HG LYS 4 4.266 10.337 10.337 36 2HG LYS 4 1HG LYS 4 4.224 9.842 9.842 37 1HD LYS 4 2HD LYS 4 2.544 8.476 8.476 38 2HD LYS 4 1HD LYS 4 3.909 7.388 7.388 39 1HE LYS 4 2HE LYS 4 2.724 7.355 7.355 40 2HE LYS 4 1HE LYS 4 4.239 8.202 8.202 41 1HZ LYS 4 1HZ LYS 4 1.827 9.702 9.702 42 2HZ LYS 4 3HZ LYS 4 2.056 9.206 9.206 43 3HZ LYS 4 2HZ LYS 4 3.193 10.224 10.224 44 H GLY 5 H GLY 5 5.418 7.993 7.993 45 1HA GLY 5 2HA GLY 5 4.941 9.875 9.875 46 2HA GLY 5 1HA GLY 5 6.459 10.552 10.552 47 H GLN 6 H GLN 6 6.541 7.193 7.193 48 HA GLN 6 HA GLN 6 8.102 7.150 7.150 49 1HB GLN 6 2HB GLN 6 9.179 6.374 6.374 50 2HB GLN 6 1HB GLN 6 7.929 5.164 5.164 51 1HG GLN 6 2HG GLN 6 9.976 4.164 4.164 52 2HG GLN 6 1HG GLN 6 8.686 4.068 4.068 53 1HE2 GLN 6 2HE2 GLN 6 11.703 6.816 6.816 54 2HE2 GLN 6 1HE2 GLN 6 11.276 6.375 6.375 55 H SER 7 H SER 7 7.878 5.469 5.469 56 HA SER 7 HA SER 7 5.303 4.933 4.933 57 1HB SER 7 2HB SER 7 6.548 3.198 3.198 58 2HB SER 7 1HB SER 7 7.216 4.831 4.831 59 HG SER 7 HG SER 7 8.043 2.694 2.694 60 H CYS 8 H CYS 8 3.789 3.629 3.629 61 HA CYS 8 HA CYS 8 4.254 0.887 0.887 62 1HB CYS 8 2HB CYS 8 3.157 1.192 1.192 63 2HB CYS 8 1HB CYS 8 4.625 2.126 2.126 64 H ARG 9 H ARG 9 1.884 0.258 0.258 65 HA ARG 9 HA ARG 9 -0.351 1.381 1.381 66 1HB ARG 9 2HB ARG 9 0.690 -0.216 -0.216 67 2HB ARG 9 1HB ARG 9 0.602 -1.497 -1.497 68 1HG ARG 9 2HG ARG 9 -1.758 -1.602 -1.602 69 2HG ARG 9 1HG ARG 9 -1.907 -0.001 -0.001 70 1HD ARG 9 2HD ARG 9 -2.355 -1.619 -1.619 71 2HD ARG 9 1HD ARG 9 -0.775 -0.921 -0.921 72 HE ARG 9 HE ARG 9 -0.389 -3.222 -3.222 73 1HH1 ARG 9 1HH2 ARG 9 -1.479 -2.330 -2.330 74 2HH1 ARG 9 2HH2 ARG 9 -0.981 -3.825 -3.825 75 1HH2 ARG 9 1HH1 ARG 9 0.010 -5.431 -5.431 76 2HH2 ARG 9 2HH1 ARG 9 0.248 -5.125 -5.125 77 H LYS 10 H LYS 10 -2.316 0.845 0.845 78 HA LYS 10 HA LYS 10 -2.365 0.308 0.308 79 1HB LYS 10 2HB LYS 10 -4.330 0.617 0.617 80 2HB LYS 10 1HB LYS 10 -4.915 -0.510 -0.510 81 1HG LYS 10 2HG LYS 10 -3.930 2.313 2.313 82 2HG LYS 10 1HG LYS 10 -5.607 1.801 1.801 83 1HD LYS 10 2HD LYS 10 -4.819 0.011 0.011 84 2HD LYS 10 1HD LYS 10 -3.461 1.097 1.097 85 1HE LYS 10 2HE LYS 10 -5.266 2.976 2.976 86 2HE LYS 10 1HE LYS 10 -6.392 1.647 1.647 87 1HZ LYS 10 1HZ LYS 10 -4.922 0.822 0.822 88 2HZ LYS 10 3HZ LYS 10 -3.933 2.189 2.189 89 3HZ LYS 10 2HZ LYS 10 -5.535 2.373 2.373 90 H THR 11 H THR 11 -3.122 -1.400 -1.400 91 HA THR 11 HA THR 11 -3.379 -3.579 -3.579 92 HB THR 11 HB THR 11 -4.498 -3.740 -3.740 93 HG1 THR 11 HG1 THR 11 -3.934 -5.716 -5.716 94 1HG2 THR 11 3HG2 THR 11 -2.214 -4.797 -4.797 95 2HG2 THR 11 2HG2 THR 11 -2.588 -6.134 -6.134 96 3HG2 THR 11 1HG2 THR 11 -3.674 -5.733 -5.733 97 H SER 12 H SER 12 -0.806 -2.641 -2.641 98 HA SER 12 HA SER 12 0.869 -4.974 -4.974 99 1HB SER 12 2HB SER 12 1.052 -3.321 -3.321 100 2HB SER 12 1HB SER 12 1.824 -2.198 -2.198 101 HG SER 12 HG SER 12 2.610 -4.899 -4.899 102 H TYR 13 H TYR 13 0.575 -1.781 -1.781 103 HA TYR 13 HA TYR 13 1.507 -0.734 -0.734 104 1HB TYR 13 2HB TYR 13 1.334 -3.572 -3.572 105 2HB TYR 13 1HB TYR 13 1.353 -2.109 -2.109 106 HD1 TYR 13 HD2 TYR 13 -0.517 -0.284 -0.284 107 HD2 TYR 13 HD1 TYR 13 -0.780 -4.535 -4.535 108 HE1 TYR 13 HE2 TYR 13 -2.950 -0.145 -0.145 109 HE2 TYR 13 HE1 TYR 13 -3.211 -4.388 -4.388 110 HH TYR 13 HH TYR 13 -4.867 -1.259 -1.259 111 H ASP 14 H ASP 14 3.361 -1.839 -1.839 112 HA ASP 14 HA ASP 14 5.671 -2.972 -2.972 113 1HB ASP 14 2HB ASP 14 4.925 -1.835 -1.835 114 2HB ASP 14 1HB ASP 14 6.578 -1.436 -1.436 115 H CYS 15 H CYS 15 4.377 0.150 0.150 116 HA CYS 15 HA CYS 15 6.798 1.635 1.635 117 1HB CYS 15 2HB CYS 15 4.205 2.497 2.497 118 2HB CYS 15 1HB CYS 15 5.426 3.439 3.439 119 H CYS 16 H CYS 16 7.454 2.618 2.618 120 HA CYS 16 HA CYS 16 8.140 1.005 1.005 121 1HB CYS 16 2HB CYS 16 8.034 3.834 3.834 122 2HB CYS 16 1HB CYS 16 8.598 3.354 3.354 123 H SER 17 H SER 17 6.025 3.686 3.686 124 HA SER 17 HA SER 17 4.748 3.294 3.294 125 1HB SER 17 2HB SER 17 3.124 5.069 5.069 126 2HB SER 17 1HB SER 17 4.809 5.544 5.544 127 HG SER 17 HG SER 17 3.125 4.205 4.205 128 H GLY 18 H GLY 18 4.461 1.675 1.675 129 1HA GLY 18 2HA GLY 18 3.059 -0.004 -0.004 130 2HA GLY 18 1HA GLY 18 2.390 -0.088 -0.088 131 H SER 19 H SER 19 2.418 2.662 2.662 132 HA SER 19 HA SER 19 -0.505 2.390 2.390 133 1HB SER 19 2HB SER 19 -0.065 5.195 5.195 134 2HB SER 19 1HB SER 19 -1.024 4.075 4.075 135 HG SER 19 HG SER 19 0.902 3.494 3.494 136 H CYS 20 H CYS 20 -1.045 2.749 2.749 137 HA CYS 20 HA CYS 20 0.323 4.614 4.614 138 1HB CYS 20 2HB CYS 20 1.300 2.259 2.259 139 2HB CYS 20 1HB CYS 20 -0.289 1.728 1.728 140 H GLY 21 H GLY 21 -0.988 5.097 5.097 141 1HA GLY 21 2HA GLY 21 -3.350 4.401 4.401 142 2HA GLY 21 1HA GLY 21 -3.899 4.942 4.942 143 H ARG 22 H ARG 22 -1.222 6.486 6.486 144 HA ARG 22 HA ARG 22 -2.751 9.010 9.010 145 1HB ARG 22 2HB ARG 22 0.218 8.400 8.400 146 2HB ARG 22 1HB ARG 22 -0.438 10.023 10.023 147 1HG ARG 22 2HG ARG 22 -0.935 8.074 8.074 148 2HG ARG 22 1HG ARG 22 0.305 9.308 9.308 149 1HD ARG 22 2HD ARG 22 -1.461 10.408 10.408 150 2HD ARG 22 1HD ARG 22 -1.694 10.961 10.961 151 HE ARG 22 HE ARG 22 -3.126 8.495 8.495 152 1HH1 ARG 22 2HH1 ARG 22 -3.183 11.936 11.936 153 2HH1 ARG 22 1HH1 ARG 22 -4.909 12.014 12.014 154 1HH2 ARG 22 1HH2 ARG 22 -5.312 8.568 8.568 155 2HH2 ARG 22 2HH2 ARG 22 -6.137 10.078 10.078 156 H SER 23 H SER 23 -3.024 6.836 6.836 157 HA SER 23 HA SER 23 -3.455 6.408 6.408 158 1HB SER 23 2HB SER 23 -3.704 8.256 8.256 159 2HB SER 23 1HB SER 23 -3.742 9.100 9.100 160 HG SER 23 HG SER 23 -1.929 10.000 10.000 161 H GLY 24 H GLY 24 -0.930 5.843 5.843 162 1HA GLY 24 2HA GLY 24 0.578 4.262 4.262 163 2HA GLY 24 1HA GLY 24 0.932 5.645 5.645 164 H LYS 25 H LYS 25 0.501 6.677 6.677 165 HA LYS 25 HA LYS 25 3.431 6.527 6.527 166 1HB LYS 25 2HB LYS 25 3.334 8.743 8.743 167 2HB LYS 25 1HB LYS 25 1.616 8.919 8.919 168 1HG LYS 25 2HG LYS 25 2.144 8.860 8.860 169 2HG LYS 25 1HG LYS 25 3.816 8.710 8.710 170 1HD LYS 25 2HD LYS 25 1.916 11.020 11.020 171 2HD LYS 25 1HD LYS 25 3.059 11.101 11.101 172 1HE LYS 25 2HE LYS 25 4.409 12.088 12.088 173 2HE LYS 25 1HE LYS 25 4.768 10.435 10.435 174 1HZ LYS 25 3HZ LYS 25 2.831 10.597 10.597 175 2HZ LYS 25 2HZ LYS 25 2.778 12.259 12.259 176 3HZ LYS 25 1HZ LYS 25 4.155 11.586 11.586 177 H CYS 26 H CYS 26 4.052 6.625 6.625 178 HA CYS 26 HA CYS 26 2.338 5.112 5.112 179 1HB CYS 26 2HB CYS 26 5.181 6.099 6.099 180 2HB CYS 26 1HB CYS 26 4.414 5.428 5.428 181 1HN NH2 27 1HT CYS 26 1.024 6.028 6.028 182 2HN NH2 27 2HT CYS 26 1.171 7.584 7.584 Start of MODEL 12 1 1H CYS 1 3H CYS 1 12.452 -0.770 -0.770 2 2H CYS 1 2H CYS 1 11.729 -2.305 -2.305 3 3H CYS 1 1H CYS 1 12.439 -1.791 -1.791 4 HA CYS 1 HA CYS 1 10.113 -1.600 -1.600 5 1HB CYS 1 2HB CYS 1 8.960 0.057 0.057 6 2HB CYS 1 1HB CYS 1 9.246 -1.571 -1.571 7 H LYS 2 H LYS 2 8.892 0.786 0.786 8 HA LYS 2 HA LYS 2 10.865 2.512 2.512 9 1HB LYS 2 2HB LYS 2 7.845 2.568 2.568 10 2HB LYS 2 1HB LYS 2 9.063 3.259 3.259 11 1HG LYS 2 2HG LYS 2 9.192 0.279 0.279 12 2HG LYS 2 1HG LYS 2 7.869 0.912 0.912 13 1HD LYS 2 2HD LYS 2 9.632 2.204 2.204 14 2HD LYS 2 1HD LYS 2 10.840 1.240 1.240 15 1HE LYS 2 2HE LYS 2 8.505 0.003 0.003 16 2HE LYS 2 1HE LYS 2 10.070 0.309 0.309 17 1HZ LYS 2 3HZ LYS 2 10.095 -1.122 -1.122 18 2HZ LYS 2 2HZ LYS 2 9.449 -1.950 -1.950 19 3HZ LYS 2 1HZ LYS 2 11.036 -1.346 -1.346 20 H LEU 3 H LEU 3 10.274 4.875 4.875 21 HA LEU 3 HA LEU 3 9.610 5.759 5.759 22 1HB LEU 3 2HB LEU 3 11.829 6.279 6.279 23 2HB LEU 3 1HB LEU 3 10.892 7.297 7.297 24 HG LEU 3 HG LEU 3 12.169 8.373 8.373 25 1HD1 LEU 3 1HD1 LEU 3 9.884 9.129 9.129 26 2HD1 LEU 3 3HD1 LEU 3 9.473 9.480 9.480 27 3HD1 LEU 3 2HD1 LEU 3 10.918 10.171 10.171 28 1HD2 LEU 3 1HD2 LEU 3 11.257 6.733 6.733 29 2HD2 LEU 3 3HD2 LEU 3 11.157 8.426 8.426 30 3HD2 LEU 3 2HD2 LEU 3 9.723 7.579 7.579 31 H LYS 4 H LYS 4 8.374 7.894 7.894 32 HA LYS 4 HA LYS 4 5.836 7.582 7.582 33 1HB LYS 4 2HB LYS 4 6.552 9.058 9.058 34 2HB LYS 4 1HB LYS 4 7.057 10.251 10.251 35 1HG LYS 4 2HG LYS 4 4.273 9.119 9.119 36 2HG LYS 4 1HG LYS 4 4.523 10.119 10.119 37 1HD LYS 4 2HD LYS 4 5.457 11.124 11.124 38 2HD LYS 4 1HD LYS 4 3.761 11.216 11.216 39 1HE LYS 4 2HE LYS 4 4.304 12.524 12.524 40 2HE LYS 4 1HE LYS 4 6.022 12.385 12.385 41 1HZ LYS 4 1HZ LYS 4 4.008 13.693 13.693 42 2HZ LYS 4 3HZ LYS 4 5.141 14.484 14.484 43 3HZ LYS 4 2HZ LYS 4 5.667 13.559 13.559 44 H GLY 5 H GLY 5 4.888 8.247 8.247 45 1HA GLY 5 2HA GLY 5 4.437 9.195 9.195 46 2HA GLY 5 1HA GLY 5 5.865 10.177 10.177 47 H GLN 6 H GLN 6 6.410 6.770 6.770 48 HA GLN 6 HA GLN 6 7.898 6.761 6.761 49 1HB GLN 6 2HB GLN 6 7.858 5.102 5.102 50 2HB GLN 6 1HB GLN 6 7.817 4.103 4.103 51 1HG GLN 6 2HG GLN 6 10.129 4.416 4.416 52 2HG GLN 6 1HG GLN 6 9.746 5.573 5.573 53 1HE2 GLN 6 2HE2 GLN 6 11.769 7.101 7.101 54 2HE2 GLN 6 1HE2 GLN 6 11.940 5.632 5.632 55 H SER 7 H SER 7 7.346 5.726 5.726 56 HA SER 7 HA SER 7 4.665 5.375 5.375 57 1HB SER 7 2HB SER 7 5.522 4.168 4.168 58 2HB SER 7 1HB SER 7 6.300 5.741 5.741 59 HG SER 7 HG SER 7 7.277 3.152 3.152 60 H CYS 8 H CYS 8 3.335 4.011 4.011 61 HA CYS 8 HA CYS 8 3.711 1.131 1.131 62 1HB CYS 8 2HB CYS 8 3.498 0.552 0.552 63 2HB CYS 8 1HB CYS 8 4.898 1.528 1.528 64 H ARG 9 H ARG 9 1.994 -0.116 -0.116 65 HA ARG 9 HA ARG 9 -0.643 1.225 1.225 66 1HB ARG 9 2HB ARG 9 0.210 -0.663 -0.663 67 2HB ARG 9 1HB ARG 9 -0.076 -1.752 -1.752 68 1HG ARG 9 2HG ARG 9 -2.436 -1.337 -1.337 69 2HG ARG 9 1HG ARG 9 -2.263 0.121 0.121 70 1HD ARG 9 2HD ARG 9 -3.127 -1.801 -1.801 71 2HD ARG 9 1HD ARG 9 -1.589 -1.195 -1.195 72 HE ARG 9 HE ARG 9 -1.166 -3.318 -3.318 73 1HH1 ARG 9 1HH2 ARG 9 -2.149 -2.655 -2.655 74 2HH1 ARG 9 2HH2 ARG 9 -1.632 -4.199 -4.199 75 1HH2 ARG 9 1HH1 ARG 9 -0.691 -5.707 -5.707 76 2HH2 ARG 9 2HH1 ARG 9 -0.509 -5.279 -5.279 77 H LYS 10 H LYS 10 -2.435 0.632 0.632 78 HA LYS 10 HA LYS 10 -2.240 0.651 0.651 79 1HB LYS 10 2HB LYS 10 -4.436 -0.487 -0.487 80 2HB LYS 10 1HB LYS 10 -4.627 -0.270 -0.270 81 1HG LYS 10 2HG LYS 10 -4.124 2.158 2.158 82 2HG LYS 10 1HG LYS 10 -3.965 1.934 1.934 83 1HD LYS 10 2HD LYS 10 -6.318 1.260 1.260 84 2HD LYS 10 1HD LYS 10 -6.499 1.293 1.293 85 1HE LYS 10 2HE LYS 10 -6.001 3.745 3.745 86 2HE LYS 10 1HE LYS 10 -5.856 3.706 3.706 87 1HZ LYS 10 3HZ LYS 10 -8.289 2.746 2.746 88 2HZ LYS 10 2HZ LYS 10 -8.060 4.393 4.393 89 3HZ LYS 10 1HZ LYS 10 -8.091 3.259 3.259 90 H THR 11 H THR 11 -3.170 -2.212 -2.212 91 HA THR 11 HA THR 11 -3.002 -4.105 -4.105 92 HB THR 11 HB THR 11 -4.097 -4.600 -4.600 93 HG1 THR 11 HG1 THR 11 -2.974 -6.227 -6.227 94 1HG2 THR 11 3HG2 THR 11 -1.227 -4.710 -4.710 95 2HG2 THR 11 2HG2 THR 11 -2.693 -5.109 -5.109 96 3HG2 THR 11 1HG2 THR 11 -2.386 -3.451 -3.451 97 H SER 12 H SER 12 -0.428 -2.643 -2.643 98 HA SER 12 HA SER 12 1.576 -4.654 -4.654 99 1HB SER 12 2HB SER 12 1.643 -2.768 -2.768 100 2HB SER 12 1HB SER 12 2.202 -1.709 -1.709 101 HG SER 12 HG SER 12 4.050 -2.600 -2.600 102 H TYR 13 H TYR 13 0.807 -1.614 -1.614 103 HA TYR 13 HA TYR 13 1.485 -0.687 -0.687 104 1HB TYR 13 2HB TYR 13 1.443 -3.649 -3.649 105 2HB TYR 13 1HB TYR 13 1.436 -2.330 -2.330 106 HD1 TYR 13 HD1 TYR 13 -0.507 -0.523 -0.523 107 HD2 TYR 13 HD2 TYR 13 -0.619 -4.545 -4.545 108 HE1 TYR 13 HE1 TYR 13 -2.949 -0.408 -0.408 109 HE2 TYR 13 HE2 TYR 13 -3.060 -4.426 -4.426 110 HH TYR 13 HH TYR 13 -4.823 -1.475 -1.475 111 H ASP 14 H ASP 14 3.527 -1.325 -1.325 112 HA ASP 14 HA ASP 14 5.845 -2.496 -2.496 113 1HB ASP 14 2HB ASP 14 5.176 -1.702 -1.702 114 2HB ASP 14 1HB ASP 14 6.122 -0.300 -0.300 115 H CYS 15 H CYS 15 4.442 0.560 0.560 116 HA CYS 15 HA CYS 15 6.847 1.990 1.990 117 1HB CYS 15 2HB CYS 15 4.274 2.748 2.748 118 2HB CYS 15 1HB CYS 15 5.481 3.711 3.711 119 H CYS 16 H CYS 16 7.685 2.406 2.406 120 HA CYS 16 HA CYS 16 8.035 0.425 0.425 121 1HB CYS 16 2HB CYS 16 8.458 3.264 3.264 122 2HB CYS 16 1HB CYS 16 8.796 2.581 2.581 123 H SER 17 H SER 17 6.347 3.383 3.383 124 HA SER 17 HA SER 17 4.912 2.605 2.605 125 1HB SER 17 2HB SER 17 4.771 5.157 5.157 126 2HB SER 17 1HB SER 17 4.008 4.944 4.944 127 HG SER 17 HG SER 17 6.445 5.655 5.655 128 H GLY 18 H GLY 18 4.375 2.139 2.139 129 1HA GLY 18 2HA GLY 18 2.538 1.216 1.216 130 2HA GLY 18 1HA GLY 18 1.678 1.127 1.127 131 H SER 19 H SER 19 1.788 2.718 2.718 132 HA SER 19 HA SER 19 -0.255 4.618 4.618 133 1HB SER 19 2HB SER 19 2.550 5.411 5.411 134 2HB SER 19 1HB SER 19 1.523 6.335 6.335 135 HG SER 19 HG SER 19 1.534 6.209 6.209 136 H CYS 20 H CYS 20 1.292 2.962 2.962 137 HA CYS 20 HA CYS 20 0.701 4.087 4.087 138 1HB CYS 20 2HB CYS 20 -0.069 1.234 1.234 139 2HB CYS 20 1HB CYS 20 0.483 1.945 1.945 140 H GLY 21 H GLY 21 -0.906 4.787 4.787 141 1HA GLY 21 2HA GLY 21 -3.327 4.036 4.036 142 2HA GLY 21 1HA GLY 21 -3.702 4.468 4.468 143 H ARG 22 H ARG 22 -1.221 6.246 6.246 144 HA ARG 22 HA ARG 22 -2.910 8.674 8.674 145 1HB ARG 22 2HB ARG 22 -0.366 8.165 8.165 146 2HB ARG 22 1HB ARG 22 0.025 8.958 8.958 147 1HG ARG 22 2HG ARG 22 -1.933 10.015 10.015 148 2HG ARG 22 1HG ARG 22 -0.264 10.516 10.516 149 1HD ARG 22 2HD ARG 22 -2.404 10.945 10.945 150 2HD ARG 22 1HD ARG 22 -1.682 12.177 12.177 151 HE ARG 22 HE ARG 22 0.333 10.736 10.736 152 1HH1 ARG 22 2HH1 ARG 22 -2.073 13.228 13.228 153 2HH1 ARG 22 1HH1 ARG 22 -1.270 14.067 14.067 154 1HH2 ARG 22 1HH2 ARG 22 1.360 11.785 11.785 155 2HH2 ARG 22 2HH2 ARG 22 0.698 13.242 13.242 156 H SER 23 H SER 23 -3.070 6.626 6.626 157 HA SER 23 HA SER 23 -3.628 6.415 6.415 158 1HB SER 23 2HB SER 23 -3.665 8.321 8.321 159 2HB SER 23 1HB SER 23 -3.612 9.135 9.135 160 HG SER 23 HG SER 23 -1.598 8.743 8.743 161 H GLY 24 H GLY 24 -1.251 5.502 5.502 162 1HA GLY 24 2HA GLY 24 0.214 3.840 3.840 163 2HA GLY 24 1HA GLY 24 0.509 4.997 4.997 164 H LYS 25 H LYS 25 0.364 5.841 5.841 165 HA LYS 25 HA LYS 25 3.285 5.943 5.943 166 1HB LYS 25 2HB LYS 25 3.352 8.042 8.042 167 2HB LYS 25 1HB LYS 25 1.622 8.348 8.348 168 1HG LYS 25 2HG LYS 25 2.227 8.812 8.812 169 2HG LYS 25 1HG LYS 25 3.878 8.467 8.467 170 1HD LYS 25 2HD LYS 25 4.167 10.517 10.517 171 2HD LYS 25 1HD LYS 25 2.587 10.477 10.477 172 1HE LYS 25 2HE LYS 25 2.332 12.256 12.256 173 2HE LYS 25 1HE LYS 25 1.697 10.933 10.933 174 1HZ LYS 25 3HZ LYS 25 4.559 11.447 11.447 175 2HZ LYS 25 2HZ LYS 25 3.519 12.564 12.564 176 3HZ LYS 25 1HZ LYS 25 3.476 10.930 10.930 177 H CYS 26 H CYS 26 3.967 6.374 6.374 178 HA CYS 26 HA CYS 26 2.114 5.284 5.284 179 1HB CYS 26 2HB CYS 26 4.868 6.542 6.542 180 2HB CYS 26 1HB CYS 26 3.970 5.792 5.792 181 1HN NH2 27 1HT CYS 26 0.321 6.685 6.685 182 2HN NH2 27 2HT CYS 26 0.429 8.252 8.252 Start of MODEL 13 1 1H CYS 1 2H CYS 1 12.381 -0.314 -0.314 2 2H CYS 1 1H CYS 1 11.780 -1.903 -1.903 3 3H CYS 1 3H CYS 1 12.305 -1.252 -1.252 4 HA CYS 1 HA CYS 1 9.936 -1.253 -1.253 5 1HB CYS 1 2HB CYS 1 8.853 0.248 0.248 6 2HB CYS 1 1HB CYS 1 9.415 -1.299 -1.299 7 H LYS 2 H LYS 2 8.538 0.874 0.874 8 HA LYS 2 HA LYS 2 10.255 2.759 2.759 9 1HB LYS 2 2HB LYS 2 7.247 2.907 2.907 10 2HB LYS 2 1HB LYS 2 8.393 3.240 3.240 11 1HG LYS 2 2HG LYS 2 7.836 0.448 0.448 12 2HG LYS 2 1HG LYS 2 7.034 1.135 1.135 13 1HD LYS 2 2HD LYS 2 9.251 1.417 1.417 14 2HD LYS 2 1HD LYS 2 10.049 0.738 0.738 15 1HE LYS 2 2HE LYS 2 8.003 -0.721 -0.721 16 2HE LYS 2 1HE LYS 2 9.739 -0.993 -0.993 17 1HZ LYS 2 2HZ LYS 2 9.508 -1.493 -1.493 18 2HZ LYS 2 1HZ LYS 2 7.831 -1.554 -1.554 19 3HZ LYS 2 3HZ LYS 2 8.853 -2.638 -2.638 20 H LEU 3 H LEU 3 10.398 4.893 4.893 21 HA LEU 3 HA LEU 3 9.829 5.854 5.854 22 1HB LEU 3 2HB LEU 3 11.632 6.521 6.521 23 2HB LEU 3 1HB LEU 3 10.407 7.653 7.653 24 HG LEU 3 HG LEU 3 10.416 8.710 8.710 25 1HD1 LEU 3 1HD1 LEU 3 12.453 6.514 6.514 26 2HD1 LEU 3 3HD1 LEU 3 12.454 8.011 8.011 27 3HD1 LEU 3 2HD1 LEU 3 11.054 6.963 6.963 28 1HD2 LEU 3 3HD2 LEU 3 11.918 9.505 9.505 29 2HD2 LEU 3 2HD2 LEU 3 12.659 9.717 9.717 30 3HD2 LEU 3 1HD2 LEU 3 13.163 8.389 8.389 31 H LYS 4 H LYS 4 8.726 8.125 8.125 32 HA LYS 4 HA LYS 4 5.928 7.727 7.727 33 1HB LYS 4 2HB LYS 4 7.023 9.064 9.064 34 2HB LYS 4 1HB LYS 4 7.224 10.369 10.369 35 1HG LYS 4 2HG LYS 4 5.144 10.883 10.883 36 2HG LYS 4 1HG LYS 4 4.654 10.054 10.054 37 1HD LYS 4 2HD LYS 4 4.389 7.927 7.927 38 2HD LYS 4 1HD LYS 4 4.930 8.730 8.730 39 1HE LYS 4 2HE LYS 4 2.523 8.723 8.723 40 2HE LYS 4 1HE LYS 4 2.969 10.371 10.371 41 1HZ LYS 4 2HZ LYS 4 2.247 8.298 8.298 42 2HZ LYS 4 1HZ LYS 4 1.168 9.460 9.460 43 3HZ LYS 4 3HZ LYS 4 2.516 9.945 9.945 44 H GLY 5 H GLY 5 4.821 8.290 8.290 45 1HA GLY 5 2HA GLY 5 4.084 9.210 9.210 46 2HA GLY 5 1HA GLY 5 5.244 10.512 10.512 47 H GLN 6 H GLN 6 6.327 7.254 7.254 48 HA GLN 6 HA GLN 6 7.863 7.592 7.592 49 1HB GLN 6 2HB GLN 6 8.922 6.865 6.865 50 2HB GLN 6 1HB GLN 6 7.968 5.398 5.398 51 1HG GLN 6 2HG GLN 6 10.290 5.049 5.049 52 2HG GLN 6 1HG GLN 6 9.125 4.692 4.692 53 1HE2 GLN 6 2HE2 GLN 6 11.478 8.059 8.059 54 2HE2 GLN 6 1HE2 GLN 6 11.167 7.394 7.394 55 H SER 7 H SER 7 8.102 5.692 5.692 56 HA SER 7 HA SER 7 5.653 4.901 4.901 57 1HB SER 7 2HB SER 7 7.165 3.321 3.321 58 2HB SER 7 1HB SER 7 7.703 5.007 5.007 59 HG SER 7 HG SER 7 9.009 4.488 4.488 60 H CYS 8 H CYS 8 4.270 3.548 3.548 61 HA CYS 8 HA CYS 8 4.925 0.859 0.859 62 1HB CYS 8 2HB CYS 8 3.603 1.160 1.160 63 2HB CYS 8 1HB CYS 8 4.920 2.302 2.302 64 H ARG 9 H ARG 9 2.445 0.154 0.154 65 HA ARG 9 HA ARG 9 0.484 0.850 0.850 66 1HB ARG 9 2HB ARG 9 1.615 -1.914 -1.914 67 2HB ARG 9 1HB ARG 9 0.028 -1.731 -1.731 68 1HG ARG 9 2HG ARG 9 1.366 -0.137 -0.137 69 2HG ARG 9 1HG ARG 9 2.740 -1.075 -1.075 70 1HD ARG 9 2HD ARG 9 0.180 -2.232 -2.232 71 2HD ARG 9 1HD ARG 9 1.728 -2.095 -2.095 72 HE ARG 9 HE ARG 9 2.153 -3.520 -3.520 73 1HH1 ARG 9 1HH2 ARG 9 0.537 -3.834 -3.834 74 2HH1 ARG 9 2HH2 ARG 9 0.672 -5.559 -5.559 75 1HH2 ARG 9 2HH1 ARG 9 2.338 -5.709 -5.709 76 2HH2 ARG 9 1HH1 ARG 9 1.706 -6.638 -6.638 77 H LYS 10 H LYS 10 -1.618 0.700 0.700 78 HA LYS 10 HA LYS 10 -2.213 1.021 1.021 79 1HB LYS 10 2HB LYS 10 -4.617 0.524 0.524 80 2HB LYS 10 1HB LYS 10 -3.804 1.785 1.785 81 1HG LYS 10 2HG LYS 10 -3.459 0.380 0.380 82 2HG LYS 10 1HG LYS 10 -3.808 -1.083 -1.083 83 1HD LYS 10 2HD LYS 10 -5.770 -0.671 -0.671 84 2HD LYS 10 1HD LYS 10 -6.181 -0.170 -0.170 85 1HE LYS 10 2HE LYS 10 -5.762 2.199 2.199 86 2HE LYS 10 1HE LYS 10 -5.245 1.718 1.718 87 1HZ LYS 10 1HZ LYS 10 -7.476 0.725 0.725 88 2HZ LYS 10 3HZ LYS 10 -7.938 1.420 1.420 89 3HZ LYS 10 2HZ LYS 10 -7.479 2.414 2.414 90 H THR 11 H THR 11 -2.988 -0.236 -0.236 91 HA THR 11 HA THR 11 -3.037 -2.067 -2.067 92 HB THR 11 HB THR 11 -5.217 -2.245 -2.245 93 HG1 THR 11 HG1 THR 11 -5.536 -4.301 -4.301 94 1HG2 THR 11 3HG2 THR 11 -3.558 -4.342 -4.342 95 2HG2 THR 11 2HG2 THR 11 -5.292 -4.491 -4.491 96 3HG2 THR 11 1HG2 THR 11 -4.626 -3.123 -3.123 97 H SER 12 H SER 12 -0.773 -1.972 -1.972 98 HA SER 12 HA SER 12 0.063 -4.810 -4.810 99 1HB SER 12 2HB SER 12 0.313 -2.986 -2.986 100 2HB SER 12 1HB SER 12 1.769 -2.515 -2.515 101 HG SER 12 HG SER 12 2.264 -4.811 -4.811 102 H TYR 13 H TYR 13 0.376 -2.031 -2.031 103 HA TYR 13 HA TYR 13 1.662 -1.329 -1.329 104 1HB TYR 13 2HB TYR 13 1.840 -4.331 -4.331 105 2HB TYR 13 1HB TYR 13 1.920 -3.084 -3.084 106 HD1 TYR 13 HD2 TYR 13 -0.188 -1.314 -1.314 107 HD2 TYR 13 HD1 TYR 13 -0.235 -5.405 -5.405 108 HE1 TYR 13 HE2 TYR 13 -2.627 -1.335 -1.335 109 HE2 TYR 13 HE1 TYR 13 -2.674 -5.420 -5.420 110 HH TYR 13 HH TYR 13 -4.509 -4.231 -4.231 111 H ASP 14 H ASP 14 3.101 -1.652 -1.652 112 HA ASP 14 HA ASP 14 5.686 -2.848 -2.848 113 1HB ASP 14 2HB ASP 14 4.392 -1.036 -1.036 114 2HB ASP 14 1HB ASP 14 6.142 -1.028 -1.028 115 H CYS 15 H CYS 15 4.336 0.320 0.320 116 HA CYS 15 HA CYS 15 6.816 1.651 1.651 117 1HB CYS 15 2HB CYS 15 4.251 2.571 2.571 118 2HB CYS 15 1HB CYS 15 5.562 3.486 3.486 119 H CYS 16 H CYS 16 7.558 2.385 2.385 120 HA CYS 16 HA CYS 16 7.976 0.604 0.604 121 1HB CYS 16 2HB CYS 16 8.135 3.473 3.473 122 2HB CYS 16 1HB CYS 16 8.700 2.795 2.795 123 H SER 17 H SER 17 6.240 3.539 3.539 124 HA SER 17 HA SER 17 4.719 3.064 3.064 125 1HB SER 17 2HB SER 17 5.411 5.377 5.377 126 2HB SER 17 1HB SER 17 4.177 5.213 5.213 127 HG SER 17 HG SER 17 3.658 4.774 4.774 128 H GLY 18 H GLY 18 4.311 2.058 2.058 129 1HA GLY 18 2HA GLY 18 2.591 0.928 0.928 130 2HA GLY 18 1HA GLY 18 1.890 0.637 0.637 131 H SER 19 H SER 19 2.518 3.818 3.818 132 HA SER 19 HA SER 19 -0.192 4.720 4.720 133 1HB SER 19 2HB SER 19 2.453 5.895 5.895 134 2HB SER 19 1HB SER 19 1.248 6.708 6.708 135 HG SER 19 HG SER 19 1.013 7.631 7.631 136 H CYS 20 H CYS 20 1.387 3.378 3.378 137 HA CYS 20 HA CYS 20 0.551 4.526 4.526 138 1HB CYS 20 2HB CYS 20 1.645 2.167 2.167 139 2HB CYS 20 1HB CYS 20 0.027 1.590 1.590 140 H GLY 21 H GLY 21 -0.961 4.696 4.696 141 1HA GLY 21 2HA GLY 21 -3.302 3.690 3.690 142 2HA GLY 21 1HA GLY 21 -3.768 4.344 4.344 143 H ARG 22 H ARG 22 -1.346 6.119 6.119 144 HA ARG 22 HA ARG 22 -3.185 8.337 8.337 145 1HB ARG 22 2HB ARG 22 -0.339 8.063 8.063 146 2HB ARG 22 1HB ARG 22 -0.644 9.401 9.401 147 1HG ARG 22 2HG ARG 22 -0.953 10.173 10.173 148 2HG ARG 22 1HG ARG 22 -2.507 10.170 10.170 149 1HD ARG 22 2HD ARG 22 -3.146 8.083 8.083 150 2HD ARG 22 1HD ARG 22 -1.524 7.899 7.899 151 HE ARG 22 HE ARG 22 -2.681 10.438 10.438 152 1HH1 ARG 22 2HH1 ARG 22 -2.703 7.040 7.040 153 2HH1 ARG 22 1HH1 ARG 22 -3.205 7.262 7.262 154 1HH2 ARG 22 1HH2 ARG 22 -3.312 10.742 10.742 155 2HH2 ARG 22 2HH2 ARG 22 -3.559 9.392 9.392 156 H SER 23 H SER 23 -3.000 6.079 6.079 157 HA SER 23 HA SER 23 -3.020 5.339 5.339 158 1HB SER 23 2HB SER 23 -3.449 6.996 6.996 159 2HB SER 23 1HB SER 23 -4.087 7.717 7.717 160 HG SER 23 HG SER 23 -1.465 8.297 8.297 161 H GLY 24 H GLY 24 -0.964 4.504 4.504 162 1HA GLY 24 2HA GLY 24 1.022 3.515 3.515 163 2HA GLY 24 1HA GLY 24 1.176 4.829 4.829 164 H LYS 25 H LYS 25 0.491 6.227 6.227 165 HA LYS 25 HA LYS 25 3.380 6.598 6.598 166 1HB LYS 25 2HB LYS 25 2.852 8.679 8.679 167 2HB LYS 25 1HB LYS 25 1.120 8.538 8.538 168 1HG LYS 25 2HG LYS 25 1.695 8.884 8.884 169 2HG LYS 25 1HG LYS 25 3.366 8.973 8.973 170 1HD LYS 25 2HD LYS 25 3.199 11.098 11.098 171 2HD LYS 25 1HD LYS 25 1.584 10.860 10.860 172 1HE LYS 25 2HE LYS 25 1.772 12.504 12.504 173 2HE LYS 25 1HE LYS 25 0.573 11.241 11.241 174 1HZ LYS 25 3HZ LYS 25 3.324 11.124 11.124 175 2HZ LYS 25 2HZ LYS 25 1.957 11.605 11.605 176 3HZ LYS 25 1HZ LYS 25 2.071 10.018 10.018 177 H CYS 26 H CYS 26 3.882 6.929 6.929 178 HA CYS 26 HA CYS 26 2.292 5.264 5.264 179 1HB CYS 26 2HB CYS 26 4.919 6.652 6.652 180 2HB CYS 26 1HB CYS 26 4.244 5.752 5.752 181 1HN NH2 27 1HT CYS 26 0.389 6.783 6.783 182 2HN NH2 27 2HT CYS 26 0.446 8.104 8.104 Start of MODEL 14 1 1H CYS 1 2H CYS 1 12.623 -0.628 -0.628 2 2H CYS 1 1H CYS 1 12.523 0.277 0.277 3 3H CYS 1 3H CYS 1 12.134 -1.376 -1.376 4 HA CYS 1 HA CYS 1 10.235 -1.001 -1.001 5 1HB CYS 1 2HB CYS 1 8.981 0.543 0.543 6 2HB CYS 1 1HB CYS 1 9.712 -0.872 -0.872 7 H LYS 2 H LYS 2 8.619 0.931 0.931 8 HA LYS 2 HA LYS 2 10.152 2.799 2.799 9 1HB LYS 2 2HB LYS 2 7.283 1.904 1.904 10 2HB LYS 2 1HB LYS 2 7.894 3.214 3.214 11 1HG LYS 2 2HG LYS 2 9.532 0.684 0.684 12 2HG LYS 2 1HG LYS 2 7.986 0.621 0.621 13 1HD LYS 2 2HD LYS 2 9.799 1.201 1.201 14 2HD LYS 2 1HD LYS 2 8.646 2.528 2.528 15 1HE LYS 2 2HE LYS 2 10.254 3.770 3.770 16 2HE LYS 2 1HE LYS 2 11.347 2.387 2.387 17 1HZ LYS 2 2HZ LYS 2 10.439 3.933 3.933 18 2HZ LYS 2 1HZ LYS 2 11.961 4.052 4.052 19 3HZ LYS 2 3HZ LYS 2 11.505 2.612 2.612 20 H LEU 3 H LEU 3 10.467 4.835 4.835 21 HA LEU 3 HA LEU 3 9.313 5.903 5.903 22 1HB LEU 3 2HB LEU 3 11.554 6.423 6.423 23 2HB LEU 3 1HB LEU 3 10.718 7.311 7.311 24 HG LEU 3 HG LEU 3 11.774 8.661 8.661 25 1HD1 LEU 3 1HD1 LEU 3 9.503 9.139 9.139 26 2HD1 LEU 3 3HD1 LEU 3 8.967 9.528 9.528 27 3HD1 LEU 3 2HD1 LEU 3 10.376 10.326 10.326 28 1HD2 LEU 3 3HD2 LEU 3 10.946 7.093 7.093 29 2HD2 LEU 3 2HD2 LEU 3 10.760 8.809 8.809 30 3HD2 LEU 3 1HD2 LEU 3 9.372 7.850 7.850 31 H LYS 4 H LYS 4 7.859 7.671 7.671 32 HA LYS 4 HA LYS 4 5.471 7.505 7.505 33 1HB LYS 4 2HB LYS 4 5.932 8.452 8.452 34 2HB LYS 4 1HB LYS 4 6.369 9.947 9.947 35 1HG LYS 4 2HG LYS 4 3.710 8.606 8.606 36 2HG LYS 4 1HG LYS 4 3.873 9.496 9.496 37 1HD LYS 4 2HD LYS 4 4.654 10.807 10.807 38 2HD LYS 4 1HD LYS 4 2.988 10.762 10.762 39 1HE LYS 4 2HE LYS 4 3.374 12.146 12.146 40 2HE LYS 4 1HE LYS 4 5.082 11.743 11.743 41 1HZ LYS 4 3HZ LYS 4 3.812 13.339 13.339 42 2HZ LYS 4 2HZ LYS 4 4.724 13.961 13.961 43 3HZ LYS 4 1HZ LYS 4 5.465 12.972 12.972 44 H GLY 5 H GLY 5 5.306 7.966 7.966 45 1HA GLY 5 2HA GLY 5 4.987 9.880 9.880 46 2HA GLY 5 1HA GLY 5 6.527 10.471 10.471 47 H GLN 6 H GLN 6 6.605 7.116 7.116 48 HA GLN 6 HA GLN 6 7.969 7.234 7.234 49 1HB GLN 6 2HB GLN 6 8.444 5.665 5.665 50 2HB GLN 6 1HB GLN 6 8.749 4.837 4.837 51 1HG GLN 6 2HG GLN 6 10.831 5.831 5.831 52 2HG GLN 6 1HG GLN 6 10.101 6.979 6.979 53 1HE2 GLN 6 2HE2 GLN 6 11.586 8.717 8.717 54 2HE2 GLN 6 1HE2 GLN 6 12.194 7.580 7.580 55 H SER 7 H SER 7 7.993 5.311 5.311 56 HA SER 7 HA SER 7 5.457 4.598 4.598 57 1HB SER 7 2HB SER 7 6.779 2.951 2.951 58 2HB SER 7 1HB SER 7 7.514 4.557 4.557 59 HG SER 7 HG SER 7 8.702 3.757 3.757 60 H CYS 8 H CYS 8 4.016 3.314 3.314 61 HA CYS 8 HA CYS 8 4.551 0.623 0.623 62 1HB CYS 8 2HB CYS 8 3.431 1.047 1.047 63 2HB CYS 8 1HB CYS 8 4.908 1.961 1.961 64 H ARG 9 H ARG 9 2.134 0.088 0.088 65 HA ARG 9 HA ARG 9 -0.025 1.040 1.040 66 1HB ARG 9 2HB ARG 9 1.155 -1.755 -1.755 67 2HB ARG 9 1HB ARG 9 -0.569 -1.589 -1.589 68 1HG ARG 9 2HG ARG 9 -0.150 -1.203 -1.203 69 2HG ARG 9 1HG ARG 9 0.461 0.367 0.367 70 1HD ARG 9 2HD ARG 9 2.223 -0.669 -0.669 71 2HD ARG 9 1HD ARG 9 2.748 -0.775 -0.775 72 HE ARG 9 HE ARG 9 2.483 -3.105 -3.105 73 1HH1 ARG 9 1HH2 ARG 9 0.946 -1.614 -1.614 74 2HH1 ARG 9 2HH2 ARG 9 0.648 -3.123 -3.123 75 1HH2 ARG 9 2HH1 ARG 9 2.114 -5.018 -5.018 76 2HH2 ARG 9 1HH1 ARG 9 1.316 -5.077 -5.077 77 H LYS 10 H LYS 10 -2.093 0.692 0.692 78 HA LYS 10 HA LYS 10 -2.315 0.650 0.650 79 1HB LYS 10 2HB LYS 10 -3.956 1.781 1.781 80 2HB LYS 10 1HB LYS 10 -4.321 0.272 0.272 81 1HG LYS 10 2HG LYS 10 -6.097 0.902 0.902 82 2HG LYS 10 1HG LYS 10 -5.354 -0.617 -0.617 83 1HD LYS 10 2HD LYS 10 -3.808 0.830 0.830 84 2HD LYS 10 1HD LYS 10 -4.938 2.126 2.126 85 1HE LYS 10 2HE LYS 10 -5.584 0.950 0.950 86 2HE LYS 10 1HE LYS 10 -6.791 0.583 0.583 87 1HZ LYS 10 2HZ LYS 10 -4.447 -1.141 -1.141 88 2HZ LYS 10 1HZ LYS 10 -5.961 -1.353 -1.353 89 3HZ LYS 10 3HZ LYS 10 -5.806 -1.512 -1.512 90 H THR 11 H THR 11 -3.084 -0.988 -0.988 91 HA THR 11 HA THR 11 -3.536 -3.142 -3.142 92 HB THR 11 HB THR 11 -3.571 -4.150 -4.150 93 HG1 THR 11 HG1 THR 11 -5.533 -2.833 -2.833 94 1HG2 THR 11 2HG2 THR 11 -5.122 -4.848 -4.848 95 2HG2 THR 11 1HG2 THR 11 -5.350 -5.564 -5.564 96 3HG2 THR 11 3HG2 THR 11 -3.846 -5.836 -5.836 97 H SER 12 H SER 12 -0.985 -2.541 -2.541 98 HA SER 12 HA SER 12 0.502 -4.974 -4.974 99 1HB SER 12 2HB SER 12 0.656 -2.898 -2.898 100 2HB SER 12 1HB SER 12 2.103 -2.629 -2.629 101 HG SER 12 HG SER 12 2.585 -4.836 -4.836 102 H TYR 13 H TYR 13 0.448 -1.752 -1.752 103 HA TYR 13 HA TYR 13 1.499 -0.705 -0.705 104 1HB TYR 13 2HB TYR 13 1.052 -3.517 -3.517 105 2HB TYR 13 1HB TYR 13 1.465 -2.135 -2.135 106 HD1 TYR 13 HD2 TYR 13 -0.065 0.067 0.067 107 HD2 TYR 13 HD1 TYR 13 -1.235 -4.013 -4.013 108 HE1 TYR 13 HE2 TYR 13 -2.416 0.734 0.734 109 HE2 TYR 13 HE1 TYR 13 -3.588 -3.342 -3.342 110 HH TYR 13 HH TYR 13 -4.528 0.070 0.070 111 H ASP 14 H ASP 14 3.358 -1.636 -1.636 112 HA ASP 14 HA ASP 14 5.612 -2.897 -2.897 113 1HB ASP 14 2HB ASP 14 5.126 -1.478 -1.478 114 2HB ASP 14 1HB ASP 14 6.760 -1.916 -1.916 115 H CYS 15 H CYS 15 4.308 0.034 0.034 116 HA CYS 15 HA CYS 15 6.782 1.588 1.588 117 1HB CYS 15 2HB CYS 15 4.156 2.497 2.497 118 2HB CYS 15 1HB CYS 15 5.424 3.421 3.421 119 H CYS 16 H CYS 16 7.479 2.627 2.627 120 HA CYS 16 HA CYS 16 8.154 1.180 1.180 121 1HB CYS 16 2HB CYS 16 8.080 3.965 3.965 122 2HB CYS 16 1HB CYS 16 8.657 3.580 3.580 123 H SER 17 H SER 17 6.083 3.879 3.879 124 HA SER 17 HA SER 17 4.849 3.735 3.735 125 1HB SER 17 2HB SER 17 5.003 5.859 5.859 126 2HB SER 17 1HB SER 17 3.802 5.196 5.196 127 HG SER 17 HG SER 17 2.354 5.041 5.041 128 H GLY 18 H GLY 18 4.449 1.839 1.839 129 1HA GLY 18 2HA GLY 18 2.952 0.155 0.155 130 2HA GLY 18 1HA GLY 18 2.321 0.276 0.276 131 H SER 19 H SER 19 2.394 2.582 2.582 132 HA SER 19 HA SER 19 -0.530 2.443 2.443 133 1HB SER 19 2HB SER 19 0.046 5.274 5.274 134 2HB SER 19 1HB SER 19 -1.033 4.304 4.304 135 HG SER 19 HG SER 19 0.756 3.733 3.733 136 H CYS 20 H CYS 20 -1.077 2.750 2.750 137 HA CYS 20 HA CYS 20 0.352 4.488 4.488 138 1HB CYS 20 2HB CYS 20 1.624 2.322 2.322 139 2HB CYS 20 1HB CYS 20 0.156 1.515 1.515 140 H GLY 21 H GLY 21 -0.590 4.447 4.447 141 1HA GLY 21 2HA GLY 21 -2.469 3.963 3.963 142 2HA GLY 21 1HA GLY 21 -3.484 3.703 3.703 143 H ARG 22 H ARG 22 -1.296 6.347 6.347 144 HA ARG 22 HA ARG 22 -3.589 8.251 8.251 145 1HB ARG 22 2HB ARG 22 -0.685 8.517 8.517 146 2HB ARG 22 1HB ARG 22 -1.803 9.863 9.863 147 1HG ARG 22 2HG ARG 22 -1.859 9.045 9.045 148 2HG ARG 22 1HG ARG 22 -3.293 8.330 8.330 149 1HD ARG 22 2HD ARG 22 -2.362 6.161 6.161 150 2HD ARG 22 1HD ARG 22 -0.713 6.748 6.748 151 HE ARG 22 HE ARG 22 -0.621 6.915 6.915 152 1HH1 ARG 22 1HH2 ARG 22 -3.893 6.510 6.510 153 2HH1 ARG 22 2HH2 ARG 22 -4.505 6.267 6.267 154 1HH2 ARG 22 2HH1 ARG 22 -1.385 6.617 6.617 155 2HH2 ARG 22 1HH1 ARG 22 -3.070 6.328 6.328 156 H SER 23 H SER 23 -2.474 6.925 6.925 157 HA SER 23 HA SER 23 -2.820 7.806 7.806 158 1HB SER 23 2HB SER 23 -1.376 9.722 9.722 159 2HB SER 23 1HB SER 23 -2.270 10.282 10.282 160 HG SER 23 HG SER 23 0.383 9.263 9.263 161 H GLY 24 H GLY 24 -1.458 5.815 5.815 162 1HA GLY 24 2HA GLY 24 -0.061 4.025 4.025 163 2HA GLY 24 1HA GLY 24 0.693 5.100 5.100 164 H LYS 25 H LYS 25 0.767 7.141 7.141 165 HA LYS 25 HA LYS 25 3.449 6.550 6.550 166 1HB LYS 25 2HB LYS 25 3.309 8.799 8.799 167 2HB LYS 25 1HB LYS 25 1.603 8.928 8.928 168 1HG LYS 25 2HG LYS 25 3.598 8.578 8.578 169 2HG LYS 25 1HG LYS 25 3.394 10.142 10.142 170 1HD LYS 25 2HD LYS 25 0.883 9.916 9.916 171 2HD LYS 25 1HD LYS 25 1.302 8.534 8.534 172 1HE LYS 25 2HE LYS 25 2.993 10.256 10.256 173 2HE LYS 25 1HE LYS 25 1.857 11.433 11.433 174 1HZ LYS 25 1HZ LYS 25 0.065 10.228 10.228 175 2HZ LYS 25 3HZ LYS 25 1.179 9.131 9.131 176 3HZ LYS 25 2HZ LYS 25 1.223 10.765 10.765 177 H CYS 26 H CYS 26 4.074 6.545 6.545 178 HA CYS 26 HA CYS 26 2.431 4.951 4.951 179 1HB CYS 26 2HB CYS 26 5.220 6.071 6.071 180 2HB CYS 26 1HB CYS 26 4.531 5.413 5.413 181 1HN NH2 27 1HT CYS 26 0.977 5.827 5.827 182 2HN NH2 27 2HT CYS 26 1.073 7.362 7.362 Start of MODEL 15 1 1H CYS 1 3H CYS 1 12.406 -0.233 -0.233 2 2H CYS 1 2H CYS 1 11.879 -1.847 -1.847 3 3H CYS 1 1H CYS 1 12.393 -1.189 -1.189 4 HA CYS 1 HA CYS 1 10.040 -1.280 -1.280 5 1HB CYS 1 2HB CYS 1 8.869 0.172 0.172 6 2HB CYS 1 1HB CYS 1 9.403 -1.420 -1.420 7 H LYS 2 H LYS 2 8.538 0.810 0.810 8 HA LYS 2 HA LYS 2 10.162 2.772 2.772 9 1HB LYS 2 2HB LYS 2 7.128 2.763 2.763 10 2HB LYS 2 1HB LYS 2 8.176 3.299 3.299 11 1HG LYS 2 2HG LYS 2 7.960 0.383 0.383 12 2HG LYS 2 1HG LYS 2 6.985 1.117 1.117 13 1HD LYS 2 2HD LYS 2 9.363 1.932 1.932 14 2HD LYS 2 1HD LYS 2 9.969 0.606 0.606 15 1HE LYS 2 2HE LYS 2 9.243 -0.945 -0.945 16 2HE LYS 2 1HE LYS 2 7.644 -0.232 -0.232 17 1HZ LYS 2 1HZ LYS 2 10.034 0.867 0.867 18 2HZ LYS 2 3HZ LYS 2 8.929 -0.197 -0.197 19 3HZ LYS 2 2HZ LYS 2 8.421 1.342 1.342 20 H LEU 3 H LEU 3 10.264 4.942 4.942 21 HA LEU 3 HA LEU 3 9.716 5.761 5.761 22 1HB LEU 3 2HB LEU 3 11.625 6.379 6.379 23 2HB LEU 3 1HB LEU 3 10.503 7.452 7.452 24 HG LEU 3 HG LEU 3 10.443 7.893 7.893 25 1HD1 LEU 3 2HD1 LEU 3 12.788 7.031 7.031 26 2HD1 LEU 3 1HD1 LEU 3 13.160 8.218 8.218 27 3HD1 LEU 3 3HD1 LEU 3 12.739 8.742 8.742 28 1HD2 LEU 3 3HD2 LEU 3 9.691 9.464 9.464 29 2HD2 LEU 3 2HD2 LEU 3 10.907 10.199 10.199 30 3HD2 LEU 3 1HD2 LEU 3 11.349 9.604 9.604 31 H LYS 4 H LYS 4 8.635 8.117 8.117 32 HA LYS 4 HA LYS 4 5.860 7.719 7.719 33 1HB LYS 4 2HB LYS 4 6.854 9.059 9.059 34 2HB LYS 4 1HB LYS 4 7.149 10.353 10.353 35 1HG LYS 4 2HG LYS 4 5.014 10.861 10.861 36 2HG LYS 4 1HG LYS 4 4.654 10.245 10.245 37 1HD LYS 4 2HD LYS 4 3.109 9.109 9.109 38 2HD LYS 4 1HD LYS 4 4.353 7.908 7.908 39 1HE LYS 4 2HE LYS 4 5.356 8.410 8.410 40 2HE LYS 4 1HE LYS 4 4.250 9.757 9.757 41 1HZ LYS 4 1HZ LYS 4 3.301 7.001 7.001 42 2HZ LYS 4 3HZ LYS 4 3.676 7.591 7.591 43 3HZ LYS 4 2HZ LYS 4 2.442 8.321 8.321 44 H GLY 5 H GLY 5 4.791 8.252 8.252 45 1HA GLY 5 2HA GLY 5 4.094 9.188 9.188 46 2HA GLY 5 1HA GLY 5 5.268 10.478 10.478 47 H GLN 6 H GLN 6 6.327 7.230 7.230 48 HA GLN 6 HA GLN 6 7.912 7.516 7.516 49 1HB GLN 6 2HB GLN 6 8.927 6.820 6.820 50 2HB GLN 6 1HB GLN 6 7.954 5.368 5.368 51 1HG GLN 6 2HG GLN 6 10.280 4.949 4.949 52 2HG GLN 6 1HG GLN 6 9.154 4.605 4.605 53 1HE2 GLN 6 2HE2 GLN 6 11.619 7.891 7.891 54 2HE2 GLN 6 1HE2 GLN 6 11.245 7.240 7.240 55 H SER 7 H SER 7 8.168 5.505 5.505 56 HA SER 7 HA SER 7 5.750 4.756 4.756 57 1HB SER 7 2HB SER 7 7.283 2.957 2.957 58 2HB SER 7 1HB SER 7 7.791 4.639 4.639 59 HG SER 7 HG SER 7 8.613 2.939 2.939 60 H CYS 8 H CYS 8 4.253 3.443 3.443 61 HA CYS 8 HA CYS 8 4.777 0.795 0.795 62 1HB CYS 8 2HB CYS 8 3.569 1.167 1.167 63 2HB CYS 8 1HB CYS 8 4.827 2.367 2.367 64 H ARG 9 H ARG 9 2.284 0.209 0.209 65 HA ARG 9 HA ARG 9 0.274 1.002 1.002 66 1HB ARG 9 2HB ARG 9 1.470 -1.786 -1.786 67 2HB ARG 9 1HB ARG 9 -0.175 -1.574 -1.574 68 1HG ARG 9 2HG ARG 9 0.939 0.220 0.220 69 2HG ARG 9 1HG ARG 9 2.405 -0.681 -0.681 70 1HD ARG 9 2HD ARG 9 -0.178 -1.930 -1.930 71 2HD ARG 9 1HD ARG 9 1.219 -1.529 -1.529 72 HE ARG 9 HE ARG 9 2.101 -3.155 -3.155 73 1HH1 ARG 9 2HH1 ARG 9 0.174 -3.300 -3.300 74 2HH1 ARG 9 1HH1 ARG 9 0.489 -4.982 -4.982 75 1HH2 ARG 9 1HH2 ARG 9 2.517 -5.285 -5.285 76 2HH2 ARG 9 2HH2 ARG 9 1.837 -6.125 -6.125 77 H LYS 10 H LYS 10 -1.822 0.689 0.689 78 HA LYS 10 HA LYS 10 -2.255 0.531 0.531 79 1HB LYS 10 2HB LYS 10 -3.782 1.668 1.668 80 2HB LYS 10 1HB LYS 10 -4.302 0.068 0.068 81 1HG LYS 10 2HG LYS 10 -5.964 0.690 0.690 82 2HG LYS 10 1HG LYS 10 -4.894 -0.265 -0.265 83 1HD LYS 10 2HD LYS 10 -3.699 1.974 1.974 84 2HD LYS 10 1HD LYS 10 -5.084 2.754 2.754 85 1HE LYS 10 2HE LYS 10 -6.572 1.483 1.483 86 2HE LYS 10 1HE LYS 10 -5.112 0.935 0.935 87 1HZ LYS 10 2HZ LYS 10 -5.792 3.778 3.778 88 2HZ LYS 10 1HZ LYS 10 -6.112 2.937 2.937 89 3HZ LYS 10 3HZ LYS 10 -4.507 3.170 3.170 90 H THR 11 H THR 11 -3.149 -1.196 -1.196 91 HA THR 11 HA THR 11 -3.670 -3.405 -3.405 92 HB THR 11 HB THR 11 -3.337 -4.251 -4.251 93 HG1 THR 11 HG1 THR 11 -4.734 -2.564 -2.564 94 1HG2 THR 11 1HG2 THR 11 -5.215 -5.078 -5.078 95 2HG2 THR 11 3HG2 THR 11 -5.157 -5.759 -5.759 96 3HG2 THR 11 2HG2 THR 11 -3.808 -6.005 -6.005 97 H SER 12 H SER 12 -0.930 -2.635 -2.635 98 HA SER 12 HA SER 12 0.585 -5.037 -5.037 99 1HB SER 12 2HB SER 12 0.947 -3.767 -3.767 100 2HB SER 12 1HB SER 12 1.613 -2.425 -2.425 101 HG SER 12 HG SER 12 3.088 -3.908 -3.908 102 H TYR 13 H TYR 13 0.422 -1.695 -1.695 103 HA TYR 13 HA TYR 13 1.375 -0.466 -0.466 104 1HB TYR 13 2HB TYR 13 1.151 -3.161 -3.161 105 2HB TYR 13 1HB TYR 13 1.196 -1.595 -1.595 106 HD1 TYR 13 HD2 TYR 13 -0.642 0.126 0.126 107 HD2 TYR 13 HD1 TYR 13 -0.983 -4.105 -4.105 108 HE1 TYR 13 HE2 TYR 13 -3.065 0.298 0.298 109 HE2 TYR 13 HE1 TYR 13 -3.406 -3.926 -3.926 110 HH TYR 13 HH TYR 13 -5.003 -0.776 -0.776 111 H ASP 14 H ASP 14 3.142 -1.560 -1.560 112 HA ASP 14 HA ASP 14 5.440 -2.838 -2.838 113 1HB ASP 14 2HB ASP 14 4.686 -2.125 -2.125 114 2HB ASP 14 1HB ASP 14 5.695 -0.729 -0.729 115 H CYS 15 H CYS 15 4.338 0.373 0.373 116 HA CYS 15 HA CYS 15 6.851 1.631 1.631 117 1HB CYS 15 2HB CYS 15 4.317 2.630 2.630 118 2HB CYS 15 1HB CYS 15 5.632 3.511 3.511 119 H CYS 16 H CYS 16 7.667 2.275 2.275 120 HA CYS 16 HA CYS 16 8.031 0.519 0.519 121 1HB CYS 16 2HB CYS 16 8.312 3.371 3.371 122 2HB CYS 16 1HB CYS 16 8.834 2.727 2.727 123 H SER 17 H SER 17 6.398 3.515 3.515 124 HA SER 17 HA SER 17 4.902 3.186 3.186 125 1HB SER 17 2HB SER 17 5.536 5.456 5.456 126 2HB SER 17 1HB SER 17 4.456 5.201 5.201 127 HG SER 17 HG SER 17 2.743 5.174 5.174 128 H GLY 18 H GLY 18 4.357 2.178 2.178 129 1HA GLY 18 2HA GLY 18 2.611 0.969 0.969 130 2HA GLY 18 1HA GLY 18 1.959 0.730 0.730 131 H SER 19 H SER 19 2.578 3.895 3.895 132 HA SER 19 HA SER 19 -0.118 4.817 4.817 133 1HB SER 19 2HB SER 19 2.525 5.958 5.958 134 2HB SER 19 1HB SER 19 1.359 6.774 6.774 135 HG SER 19 HG SER 19 1.419 7.628 7.628 136 H CYS 20 H CYS 20 1.424 3.437 3.437 137 HA CYS 20 HA CYS 20 0.594 4.499 4.499 138 1HB CYS 20 2HB CYS 20 1.573 2.092 2.092 139 2HB CYS 20 1HB CYS 20 -0.079 1.599 1.599 140 H GLY 21 H GLY 21 -0.926 4.769 4.769 141 1HA GLY 21 2HA GLY 21 -3.323 3.841 3.841 142 2HA GLY 21 1HA GLY 21 -3.725 4.566 4.566 143 H ARG 22 H ARG 22 -1.294 6.230 6.230 144 HA ARG 22 HA ARG 22 -3.107 8.442 8.442 145 1HB ARG 22 2HB ARG 22 -0.233 8.164 8.164 146 2HB ARG 22 1HB ARG 22 -0.594 9.470 9.470 147 1HG ARG 22 2HG ARG 22 -0.874 10.493 10.493 148 2HG ARG 22 1HG ARG 22 -2.518 10.114 10.114 149 1HD ARG 22 2HD ARG 22 -1.767 7.792 7.792 150 2HD ARG 22 1HD ARG 22 -0.872 9.052 9.052 151 HE ARG 22 HE ARG 22 -3.541 9.950 9.950 152 1HH1 ARG 22 2HH1 ARG 22 -1.703 7.572 7.572 153 2HH1 ARG 22 1HH1 ARG 22 -2.816 7.519 7.519 154 1HH2 ARG 22 1HH2 ARG 22 -4.964 9.891 9.891 155 2HH2 ARG 22 2HH2 ARG 22 -4.689 8.847 8.847 156 H SER 23 H SER 23 -2.866 6.041 6.041 157 HA SER 23 HA SER 23 -2.796 5.202 5.202 158 1HB SER 23 2HB SER 23 -3.314 6.777 6.777 159 2HB SER 23 1HB SER 23 -4.096 7.421 7.421 160 HG SER 23 HG SER 23 -2.799 9.052 9.052 161 H GLY 24 H GLY 24 -0.826 4.290 4.290 162 1HA GLY 24 2HA GLY 24 1.250 3.540 3.540 163 2HA GLY 24 1HA GLY 24 1.328 4.926 4.926 164 H LYS 25 H LYS 25 0.588 6.246 6.246 165 HA LYS 25 HA LYS 25 3.442 6.647 6.647 166 1HB LYS 25 2HB LYS 25 2.887 8.672 8.672 167 2HB LYS 25 1HB LYS 25 1.155 8.525 8.525 168 1HG LYS 25 2HG LYS 25 1.824 8.924 8.924 169 2HG LYS 25 1HG LYS 25 3.417 9.255 9.255 170 1HD LYS 25 2HD LYS 25 2.606 11.093 11.093 171 2HD LYS 25 1HD LYS 25 0.939 10.744 10.744 172 1HE LYS 25 2HE LYS 25 1.532 12.543 12.543 173 2HE LYS 25 1HE LYS 25 1.649 11.132 11.132 174 1HZ LYS 25 1HZ LYS 25 4.095 11.190 11.190 175 2HZ LYS 25 3HZ LYS 25 3.734 12.848 12.848 176 3HZ LYS 25 2HZ LYS 25 3.652 12.005 12.005 177 H CYS 26 H CYS 26 3.895 6.922 6.922 178 HA CYS 26 HA CYS 26 2.319 5.228 5.228 179 1HB CYS 26 2HB CYS 26 4.909 6.649 6.649 180 2HB CYS 26 1HB CYS 26 4.233 5.785 5.785 181 1HN NH2 27 1HT CYS 26 0.388 6.351 6.351 182 2HN NH2 27 2HT CYS 26 0.388 7.783 7.783
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