NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11460 | 1rji | 6037 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1HT THR 1 -10.060 -0.269 -3.000 2 2H THR 1 2HT THR 1 -9.544 -0.147 -1.367 3 3H THR 1 3HT THR 1 -8.513 -0.849 -2.546 4 HA THR 1 HA THR 1 -8.318 1.213 -3.675 5 HB THR 1 HB THR 1 -9.274 3.251 -2.522 6 HG1 THR 1 1HG THR 1 -10.993 1.420 -1.222 7 1HG2 THR 1 1HG2 THR 1 -11.423 1.349 -3.404 8 2HG2 THR 1 2HG2 THR 1 -10.355 2.205 -4.516 9 3HG2 THR 1 3HG2 THR 1 -11.440 3.112 -3.463 10 HA PRO 2 HA PRO 2 -4.938 1.788 -0.833 11 1HB PRO 2 2HB PRO 2 -3.509 3.571 -2.210 12 2HB PRO 2 1HB PRO 2 -3.781 1.947 -2.854 13 1HG PRO 2 2HG PRO 2 -5.145 4.517 -3.555 14 2HG PRO 2 1HG PRO 2 -4.590 3.217 -4.623 15 1HD PRO 2 2HD PRO 2 -7.195 3.539 -3.744 16 2HD PRO 2 1HD PRO 2 -6.505 2.016 -4.335 17 H TYR 3 H TYR 3 -7.308 3.235 -0.083 18 HA TYR 3 HA TYR 3 -6.390 5.915 0.577 19 1HB TYR 3 2HB TYR 3 -8.939 4.649 0.232 20 2HB TYR 3 1HB TYR 3 -8.861 5.341 1.848 21 HD1 TYR 3 1HD TYR 3 -8.766 6.091 -1.751 22 HD2 TYR 3 2HD TYR 3 -8.797 7.728 2.176 23 HE1 TYR 3 1HE TYR 3 -9.252 8.312 -2.687 24 HE2 TYR 3 2HE TYR 3 -9.286 9.953 1.252 25 HH TYR 3 HH TYR 3 -10.520 10.651 -1.313 26 HA PRO 4 HA PRO 4 -6.533 4.080 4.924 27 1HB PRO 4 2HB PRO 4 -8.013 1.957 5.534 28 2HB PRO 4 1HB PRO 4 -8.773 3.505 5.147 29 1HG PRO 4 2HG PRO 4 -8.568 1.037 3.508 30 2HG PRO 4 1HG PRO 4 -9.842 2.266 3.537 31 1HD PRO 4 2HD PRO 4 -7.677 2.049 1.694 32 2HD PRO 4 1HD PRO 4 -8.880 3.347 1.799 33 H VAL 5 H VAL 5 -5.212 2.424 2.438 34 HA VAL 5 HA VAL 5 -4.223 0.176 4.027 35 HB VAL 5 HB VAL 5 -3.095 0.476 1.337 36 1HG1 VAL 5 1HG1 VAL 5 -3.168 -1.801 1.339 37 2HG1 VAL 5 2HG1 VAL 5 -4.694 -1.865 2.222 38 3HG1 VAL 5 3HG1 VAL 5 -3.194 -1.510 3.079 39 1HG2 VAL 5 1HG2 VAL 5 -6.063 -0.024 1.618 40 2HG2 VAL 5 2HG2 VAL 5 -5.121 -0.179 0.136 41 3HG2 VAL 5 3HG2 VAL 5 -5.327 1.403 0.889 42 H ASN 6 H ASN 6 -2.694 0.794 5.385 43 HA ASN 6 HA ASN 6 -0.680 2.739 4.598 44 1HB ASN 6 2HB ASN 6 0.123 2.424 6.987 45 2HB ASN 6 1HB ASN 6 -1.487 3.101 6.794 46 1HD2 ASN 6 1HD2 ASN 6 -3.192 2.070 7.678 47 2HD2 ASN 6 2HD2 ASN 6 -3.092 0.567 8.524 48 H CYS 7 H CYS 7 1.613 2.329 5.042 49 HA CYS 7 HA CYS 7 2.666 -0.269 5.369 50 1HB CYS 7 2HB CYS 7 3.544 -0.622 3.050 51 2HB CYS 7 1HB CYS 7 1.803 -0.804 3.184 52 H LYS 8 H LYS 8 4.993 -0.399 4.596 53 HA LYS 8 HA LYS 8 6.325 2.215 4.875 54 1HB LYS 8 2HB LYS 8 7.383 -0.457 5.833 55 2HB LYS 8 1HB LYS 8 8.137 1.115 6.064 56 1HG LYS 8 2HG LYS 8 6.045 1.752 7.363 57 2HG LYS 8 1HG LYS 8 5.656 0.031 7.354 58 1HD LYS 8 2HD LYS 8 7.738 -0.479 8.484 59 2HD LYS 8 1HD LYS 8 8.221 1.217 8.413 60 1HE LYS 8 2HE LYS 8 5.935 1.574 9.668 61 2HE LYS 8 1HE LYS 8 6.172 -0.111 10.123 62 1HZ LYS 8 1HZ LYS 8 8.079 2.112 10.622 63 2HZ LYS 8 2HZ LYS 8 8.341 0.492 11.032 64 3HZ LYS 8 3HZ LYS 8 7.098 1.363 11.780 65 H THR 9 H THR 9 6.569 -1.087 3.610 66 HA THR 9 HA THR 9 8.335 -0.123 1.462 67 HB THR 9 HB THR 9 9.134 -2.400 1.224 68 HG1 THR 9 1HG THR 9 7.582 -3.778 1.702 69 1HG2 THR 9 1HG2 THR 9 10.151 -1.020 3.038 70 2HG2 THR 9 2HG2 THR 9 10.283 -2.764 3.264 71 3HG2 THR 9 3HG2 THR 9 9.086 -1.844 4.175 72 H ASP 10 H ASP 10 8.042 -1.842 -0.512 73 HA ASP 10 HA ASP 10 5.567 -1.206 -1.675 74 1HB ASP 10 2HB ASP 10 7.845 -1.897 -2.759 75 2HB ASP 10 1HB ASP 10 7.192 -3.528 -2.650 76 H ARG 11 H ARG 11 6.754 -4.428 -0.658 77 HA ARG 11 HA ARG 11 4.207 -5.669 -0.999 78 1HB ARG 11 2HB ARG 11 6.692 -6.607 0.439 79 2HB ARG 11 1HB ARG 11 5.276 -7.608 0.146 80 1HG ARG 11 2HG ARG 11 5.683 -7.763 -2.113 81 2HG ARG 11 1HG ARG 11 6.625 -6.270 -2.154 82 1HD ARG 11 2HD ARG 11 8.212 -7.670 -0.558 83 2HD ARG 11 1HD ARG 11 7.444 -9.024 -1.385 84 HE ARG 11 HE ARG 11 8.238 -7.308 -3.378 85 1HH1 ARG 11 1HH1 ARG 11 9.834 -9.041 -0.787 86 2HH1 ARG 11 2HH1 ARG 11 11.330 -9.191 -1.646 87 1HH2 ARG 11 1HH2 ARG 11 10.211 -7.508 -4.503 88 2HH2 ARG 11 2HH2 ARG 11 11.545 -8.321 -3.754 89 H ASP 12 H ASP 12 4.998 -3.460 1.298 90 HA ASP 12 HA ASP 12 3.966 -4.782 3.632 91 1HB ASP 12 2HB ASP 12 5.001 -2.092 2.978 92 2HB ASP 12 1HB ASP 12 3.778 -2.141 4.240 93 H CYS 13 H CYS 13 2.714 -3.030 0.943 94 HA CYS 13 HA CYS 13 0.102 -2.689 2.191 95 1HB CYS 13 2HB CYS 13 1.541 -1.199 0.322 96 2HB CYS 13 1HB CYS 13 0.278 -1.977 -0.622 97 H VAL 14 H VAL 14 1.317 -5.359 1.478 98 HA VAL 14 HA VAL 14 0.282 -6.509 -0.790 99 HB VAL 14 HB VAL 14 1.743 -7.498 1.165 100 1HG1 VAL 14 1HG1 VAL 14 -0.174 -7.465 2.776 101 2HG1 VAL 14 2HG1 VAL 14 0.627 -9.027 2.608 102 3HG1 VAL 14 3HG1 VAL 14 -0.921 -8.742 1.815 103 1HG2 VAL 14 1HG2 VAL 14 1.176 -9.803 0.298 104 2HG2 VAL 14 2HG2 VAL 14 1.603 -8.595 -0.916 105 3HG2 VAL 14 3HG2 VAL 14 -0.088 -9.031 -0.661 106 H MET 15 H MET 15 -1.429 -5.635 2.144 107 HA MET 15 HA MET 15 -3.752 -7.159 1.859 108 1HB MET 15 2HB MET 15 -3.271 -4.434 3.057 109 2HB MET 15 1HB MET 15 -4.850 -5.206 3.098 110 1HG MET 15 2HG MET 15 -4.001 -7.022 4.399 111 2HG MET 15 1HG MET 15 -2.347 -6.439 4.220 112 1HE MET 15 1HE MET 15 -2.979 -5.826 8.016 113 2HE MET 15 2HE MET 15 -1.826 -6.422 6.823 114 3HE MET 15 3HE MET 15 -3.394 -7.209 7.002 115 H CYS 16 H CYS 16 -2.679 -4.298 0.161 116 HA CYS 16 HA CYS 16 -5.257 -3.771 -1.034 117 1HB CYS 16 2HB CYS 16 -3.285 -2.105 -0.471 118 2HB CYS 16 1HB CYS 16 -2.708 -2.578 -2.064 119 H GLY 17 H GLY 17 -2.078 -4.997 -2.133 120 1HA GLY 17 2HA GLY 17 -3.320 -6.760 -4.020 121 2HA GLY 17 1HA GLY 17 -2.599 -5.371 -4.814 122 H LEU 18 H LEU 18 -1.386 -7.225 -5.828 123 HA LEU 18 HA LEU 18 0.749 -8.318 -4.190 124 1HB LEU 18 2HB LEU 18 0.005 -8.817 -7.070 125 2HB LEU 18 1HB LEU 18 1.328 -9.605 -6.235 126 HG LEU 18 HG LEU 18 -1.465 -9.816 -5.164 127 1HD1 LEU 18 1HD1 LEU 18 -0.257 -11.569 -7.298 128 2HD1 LEU 18 2HD1 LEU 18 -1.608 -10.456 -7.514 129 3HD1 LEU 18 3HD1 LEU 18 -1.780 -11.858 -6.458 130 1HD2 LEU 18 1HD2 LEU 18 0.383 -10.562 -3.757 131 2HD2 LEU 18 2HD2 LEU 18 0.947 -11.625 -5.047 132 3HD2 LEU 18 3HD2 LEU 18 -0.610 -11.925 -4.274 133 H GLY 19 H GLY 19 1.795 -6.321 -3.824 134 1HA GLY 19 2HA GLY 19 3.903 -5.296 -4.297 135 2HA GLY 19 1HA GLY 19 3.628 -5.595 -6.009 136 H ILE 20 H ILE 20 2.653 -3.628 -3.254 137 HA ILE 20 HA ILE 20 1.461 -1.668 -5.093 138 HB ILE 20 HB ILE 20 1.129 -1.424 -2.156 139 1HG1 ILE 20 2HG1 ILE 20 0.768 -3.768 -2.343 140 2HG1 ILE 20 1HG1 ILE 20 -0.817 -3.000 -2.246 141 1HG2 ILE 20 1HG2 ILE 20 0.038 0.257 -3.298 142 2HG2 ILE 20 2HG2 ILE 20 -1.252 -0.917 -3.043 143 3HG2 ILE 20 3HG2 ILE 20 -0.452 -0.812 -4.611 144 1HD1 ILE 20 1HD1 ILE 20 0.167 -4.761 -4.226 145 2HD1 ILE 20 2HD1 ILE 20 -0.105 -3.195 -4.986 146 3HD1 ILE 20 3HD1 ILE 20 -1.416 -3.994 -4.125 147 H SER 21 H SER 21 2.287 0.336 -5.302 148 HA SER 21 HA SER 21 4.831 0.964 -4.187 149 1HB SER 21 2HB SER 21 2.833 2.775 -5.575 150 2HB SER 21 1HB SER 21 4.512 3.183 -5.224 151 HG SER 21 HG SER 21 3.455 1.497 -7.163 152 H CYS 22 H CYS 22 5.286 1.874 -2.277 153 HA CYS 22 HA CYS 22 3.037 2.725 -0.621 154 1HB CYS 22 2HB CYS 22 4.854 1.014 0.084 155 2HB CYS 22 1HB CYS 22 5.850 2.435 0.381 156 H LYS 23 H LYS 23 2.625 4.740 -0.134 157 HA LYS 23 HA LYS 23 4.505 6.844 -0.909 158 1HB LYS 23 2HB LYS 23 2.651 8.350 -0.828 159 2HB LYS 23 1HB LYS 23 2.093 6.904 -1.655 160 1HG LYS 23 2HG LYS 23 1.387 6.293 0.866 161 2HG LYS 23 1HG LYS 23 1.265 8.051 0.928 162 1HD LYS 23 2HD LYS 23 0.040 6.552 -1.351 163 2HD LYS 23 1HD LYS 23 -0.794 6.624 0.202 164 1HE LYS 23 2HE LYS 23 -1.674 8.514 -0.652 165 2HE LYS 23 1HE LYS 23 -0.152 9.224 -0.118 166 1HZ LYS 23 1HZ LYS 23 -0.715 9.807 -2.417 167 2HZ LYS 23 2HZ LYS 23 -0.666 8.173 -2.849 168 3HZ LYS 23 3HZ LYS 23 0.741 8.951 -2.323 169 H ASN 24 H ASN 24 3.465 8.783 0.932 170 HA ASN 24 HA ASN 24 5.203 8.554 3.060 171 1HB ASN 24 2HB ASN 24 3.914 10.616 2.100 172 2HB ASN 24 1HB ASN 24 2.707 10.196 3.311 173 1HD2 ASN 24 1HD2 ASN 24 3.123 10.572 5.451 174 2HD2 ASN 24 2HD2 ASN 24 4.519 11.420 6.011 175 H GLY 25 H GLY 25 4.520 6.241 3.478 176 1HA GLY 25 2HA GLY 25 3.930 4.817 5.198 177 2HA GLY 25 1HA GLY 25 3.121 6.156 5.993 178 H TYR 26 H TYR 26 2.249 5.533 2.675 179 HA TYR 26 HA TYR 26 -0.016 3.884 3.501 180 1HB TYR 26 2HB TYR 26 -0.307 6.636 2.310 181 2HB TYR 26 1HB TYR 26 -1.605 5.442 2.278 182 HD1 TYR 26 1HD TYR 26 -0.483 8.209 3.994 183 HD2 TYR 26 2HD TYR 26 -1.889 4.260 4.723 184 HE1 TYR 26 1HE TYR 26 -1.145 8.868 6.270 185 HE2 TYR 26 2HE TYR 26 -2.548 4.904 6.995 186 HH TYR 26 HH TYR 26 -1.530 7.135 8.650 187 H CYS 27 H CYS 27 -1.568 3.761 1.378 188 HA CYS 27 HA CYS 27 0.120 2.456 -0.600 189 1HB CYS 27 2HB CYS 27 -2.424 1.942 0.528 190 2HB CYS 27 1HB CYS 27 -2.676 2.245 -1.181 191 H GLN 28 H GLN 28 0.272 3.000 -2.711 192 HA GLN 28 HA GLN 28 -0.729 5.627 -3.486 193 1HB GLN 28 2HB GLN 28 1.510 3.900 -4.281 194 2HB GLN 28 1HB GLN 28 0.725 4.715 -5.623 195 1HG GLN 28 2HG GLN 28 1.156 6.855 -4.679 196 2HG GLN 28 1HG GLN 28 1.705 6.136 -3.167 197 1HE2 GLN 28 1HE2 GLN 28 3.707 4.999 -3.156 198 2HE2 GLN 28 2HE2 GLN 28 4.925 5.353 -4.329 199 H GLY 29 H GLY 29 -0.685 2.310 -4.807 200 1HA GLY 29 2HA GLY 29 -3.362 2.326 -5.657 201 2HA GLY 29 1HA GLY 29 -2.349 2.794 -7.016 202 H CYS 30 H CYS 30 -3.459 0.223 -5.047 203 HA CYS 30 HA CYS 30 -1.507 -1.703 -5.891 204 1HB CYS 30 2HB CYS 30 -3.028 -3.322 -4.721 205 2HB CYS 30 1HB CYS 30 -2.473 -1.986 -3.725 206 H THR 31 H THR 31 -4.183 -3.522 -6.086 207 HA THR 31 HA THR 31 -4.194 -3.410 -9.008 208 HB THR 31 HB THR 31 -5.076 -5.678 -8.938 209 HG1 THR 31 1HG THR 31 -4.986 -5.483 -6.109 210 1HG2 THR 31 1HG2 THR 31 -2.582 -5.257 -8.552 211 2HG2 THR 31 2HG2 THR 31 -3.228 -6.849 -8.161 212 3HG2 THR 31 3HG2 THR 31 -2.909 -5.687 -6.874 Start of MODEL 2 1 1H THR 1 1HT THR 1 -9.955 0.654 -1.398 2 2H THR 1 2HT THR 1 -8.682 -0.377 -1.910 3 3H THR 1 3HT THR 1 -9.949 0.027 -2.994 4 HA THR 1 HA THR 1 -8.204 1.331 -3.651 5 HB THR 1 HB THR 1 -8.941 3.655 -2.702 6 HG1 THR 1 1HG THR 1 -10.202 3.480 -1.046 7 1HG2 THR 1 1HG2 THR 1 -10.705 1.793 -4.241 8 2HG2 THR 1 2HG2 THR 1 -9.749 3.157 -4.821 9 3HG2 THR 1 3HG2 THR 1 -11.204 3.443 -3.867 10 HA PRO 2 HA PRO 2 -4.874 2.121 -0.829 11 1HB PRO 2 2HB PRO 2 -3.516 4.053 -2.089 12 2HB PRO 2 1HB PRO 2 -3.682 2.444 -2.800 13 1HG PRO 2 2HG PRO 2 -5.178 4.959 -3.427 14 2HG PRO 2 1HG PRO 2 -4.527 3.738 -4.535 15 1HD PRO 2 2HD PRO 2 -7.159 3.872 -3.735 16 2HD PRO 2 1HD PRO 2 -6.361 2.396 -4.315 17 H TYR 3 H TYR 3 -7.247 3.379 0.068 18 HA TYR 3 HA TYR 3 -6.393 6.044 0.906 19 1HB TYR 3 2HB TYR 3 -8.951 4.762 0.445 20 2HB TYR 3 1HB TYR 3 -8.890 5.481 2.049 21 HD1 TYR 3 1HD TYR 3 -7.343 7.902 1.695 22 HD2 TYR 3 2HD TYR 3 -10.210 6.147 -0.916 23 HE1 TYR 3 1HE TYR 3 -7.806 10.113 0.725 24 HE2 TYR 3 2HE TYR 3 -10.678 8.352 -1.893 25 HH TYR 3 HH TYR 3 -10.476 10.776 -1.163 26 HA PRO 4 HA PRO 4 -6.708 3.840 5.071 27 1HB PRO 4 2HB PRO 4 -8.150 1.637 5.425 28 2HB PRO 4 1HB PRO 4 -8.940 3.193 5.139 29 1HG PRO 4 2HG PRO 4 -8.571 0.890 3.295 30 2HG PRO 4 1HG PRO 4 -9.901 2.056 3.387 31 1HD PRO 4 2HD PRO 4 -7.683 2.106 1.611 32 2HD PRO 4 1HD PRO 4 -8.921 3.359 1.817 33 H VAL 5 H VAL 5 -5.303 2.395 2.469 34 HA VAL 5 HA VAL 5 -4.255 0.095 3.954 35 HB VAL 5 HB VAL 5 -3.088 0.433 1.319 36 1HG1 VAL 5 1HG1 VAL 5 -3.157 -1.798 1.362 37 2HG1 VAL 5 2HG1 VAL 5 -4.868 -1.835 1.786 38 3HG1 VAL 5 3HG1 VAL 5 -3.652 -1.610 3.043 39 1HG2 VAL 5 1HG2 VAL 5 -6.094 0.132 1.413 40 2HG2 VAL 5 2HG2 VAL 5 -5.076 0.020 -0.022 41 3HG2 VAL 5 3HG2 VAL 5 -5.235 1.557 0.830 42 H ASN 6 H ASN 6 -2.776 0.790 5.363 43 HA ASN 6 HA ASN 6 -0.773 2.748 4.570 44 1HB ASN 6 2HB ASN 6 -0.008 2.516 6.966 45 2HB ASN 6 1HB ASN 6 -1.646 3.117 6.755 46 1HD2 ASN 6 1HD2 ASN 6 -1.951 2.473 8.970 47 2HD2 ASN 6 2HD2 ASN 6 -2.312 0.826 9.343 48 H CYS 7 H CYS 7 1.542 2.307 5.227 49 HA CYS 7 HA CYS 7 2.556 -0.290 5.534 50 1HB CYS 7 2HB CYS 7 3.524 -0.593 3.206 51 2HB CYS 7 1HB CYS 7 1.800 -0.892 3.356 52 H LYS 8 H LYS 8 4.906 -0.448 4.765 53 HA LYS 8 HA LYS 8 6.253 2.151 5.081 54 1HB LYS 8 2HB LYS 8 7.324 -0.497 6.072 55 2HB LYS 8 1HB LYS 8 7.982 1.102 6.379 56 1HG LYS 8 2HG LYS 8 5.416 1.296 7.351 57 2HG LYS 8 1HG LYS 8 5.883 -0.353 7.769 58 1HD LYS 8 2HD LYS 8 8.014 0.633 8.716 59 2HD LYS 8 1HD LYS 8 7.258 2.216 8.528 60 1HE LYS 8 2HE LYS 8 5.865 1.904 10.273 61 2HE LYS 8 1HE LYS 8 5.606 0.204 9.890 62 1HZ LYS 8 1HZ LYS 8 7.313 -0.449 11.197 63 2HZ LYS 8 2HZ LYS 8 6.961 0.994 12.007 64 3HZ LYS 8 3HZ LYS 8 8.242 0.936 10.904 65 H THR 9 H THR 9 6.511 -1.162 3.820 66 HA THR 9 HA THR 9 8.321 -0.178 1.715 67 HB THR 9 HB THR 9 8.920 -2.664 1.488 68 HG1 THR 9 1HG THR 9 7.411 -3.685 2.679 69 1HG2 THR 9 1HG2 THR 9 9.660 -1.268 4.048 70 2HG2 THR 9 2HG2 THR 9 10.484 -1.114 2.497 71 3HG2 THR 9 3HG2 THR 9 10.496 -2.656 3.351 72 H ASP 10 H ASP 10 8.138 -1.990 -0.220 73 HA ASP 10 HA ASP 10 5.726 -1.419 -1.513 74 1HB ASP 10 2HB ASP 10 8.064 -3.145 -2.060 75 2HB ASP 10 1HB ASP 10 6.580 -3.584 -2.899 76 H ARG 11 H ARG 11 6.794 -4.661 -0.435 77 HA ARG 11 HA ARG 11 4.210 -5.800 -0.759 78 1HB ARG 11 2HB ARG 11 6.819 -6.717 0.333 79 2HB ARG 11 1HB ARG 11 5.383 -7.634 0.762 80 1HG ARG 11 2HG ARG 11 5.520 -8.702 -1.167 81 2HG ARG 11 1HG ARG 11 5.235 -7.178 -2.010 82 1HD ARG 11 2HD ARG 11 7.981 -7.531 -1.049 83 2HD ARG 11 1HD ARG 11 7.475 -8.720 -2.250 84 HE ARG 11 HE ARG 11 6.827 -6.036 -3.009 85 1HH1 ARG 11 1HH1 ARG 11 9.394 -8.415 -2.962 86 2HH1 ARG 11 2HH1 ARG 11 10.242 -7.710 -4.296 87 1HH2 ARG 11 1HH2 ARG 11 7.949 -5.106 -4.766 88 2HH2 ARG 11 2HH2 ARG 11 9.421 -5.830 -5.321 89 H ASP 12 H ASP 12 4.992 -3.585 1.507 90 HA ASP 12 HA ASP 12 3.908 -4.865 3.845 91 1HB ASP 12 2HB ASP 12 5.042 -2.228 3.185 92 2HB ASP 12 1HB ASP 12 3.756 -2.192 4.384 93 H CYS 13 H CYS 13 2.774 -2.980 1.170 94 HA CYS 13 HA CYS 13 0.130 -2.661 2.346 95 1HB CYS 13 2HB CYS 13 1.610 -1.086 0.637 96 2HB CYS 13 1HB CYS 13 0.484 -1.881 -0.456 97 H VAL 14 H VAL 14 1.384 -5.308 1.536 98 HA VAL 14 HA VAL 14 0.331 -6.360 -0.781 99 HB VAL 14 HB VAL 14 1.883 -7.468 0.930 100 1HG1 VAL 14 1HG1 VAL 14 1.092 -8.516 2.774 101 2HG1 VAL 14 2HG1 VAL 14 -0.475 -8.867 2.042 102 3HG1 VAL 14 3HG1 VAL 14 -0.133 -7.253 2.666 103 1HG2 VAL 14 1HG2 VAL 14 1.511 -8.750 -0.929 104 2HG2 VAL 14 2HG2 VAL 14 -0.236 -8.798 -0.686 105 3HG2 VAL 14 3HG2 VAL 14 0.821 -9.787 0.320 106 H MET 15 H MET 15 -1.339 -5.545 2.176 107 HA MET 15 HA MET 15 -3.648 -7.097 1.933 108 1HB MET 15 2HB MET 15 -3.157 -4.362 3.102 109 2HB MET 15 1HB MET 15 -4.754 -5.099 3.127 110 1HG MET 15 2HG MET 15 -4.086 -5.877 5.116 111 2HG MET 15 1HG MET 15 -3.283 -7.113 4.147 112 1HE MET 15 1HE MET 15 -2.433 -6.541 7.090 113 2HE MET 15 2HE MET 15 -0.675 -6.442 6.981 114 3HE MET 15 3HE MET 15 -1.549 -7.683 6.080 115 H CYS 16 H CYS 16 -2.567 -4.336 0.118 116 HA CYS 16 HA CYS 16 -5.155 -3.785 -1.051 117 1HB CYS 16 2HB CYS 16 -3.209 -2.112 -0.587 118 2HB CYS 16 1HB CYS 16 -2.543 -2.719 -2.098 119 H GLY 17 H GLY 17 -2.055 -5.232 -2.094 120 1HA GLY 17 2HA GLY 17 -3.369 -7.005 -3.897 121 2HA GLY 17 1HA GLY 17 -2.649 -5.665 -4.773 122 H LEU 18 H LEU 18 -1.505 -7.569 -5.741 123 HA LEU 18 HA LEU 18 0.654 -8.653 -4.137 124 1HB LEU 18 2HB LEU 18 -0.329 -9.237 -6.919 125 2HB LEU 18 1HB LEU 18 1.166 -9.906 -6.295 126 HG LEU 18 HG LEU 18 -1.239 -10.323 -4.620 127 1HD1 LEU 18 1HD1 LEU 18 -0.992 -11.325 -7.405 128 2HD1 LEU 18 2HD1 LEU 18 -2.429 -10.904 -6.473 129 3HD1 LEU 18 3HD1 LEU 18 -1.599 -12.431 -6.171 130 1HD2 LEU 18 1HD2 LEU 18 0.570 -11.409 -3.739 131 2HD2 LEU 18 2HD2 LEU 18 1.288 -11.732 -5.316 132 3HD2 LEU 18 3HD2 LEU 18 -0.084 -12.690 -4.760 133 H GLY 19 H GLY 19 1.771 -6.701 -3.843 134 1HA GLY 19 2HA GLY 19 3.905 -5.764 -4.423 135 2HA GLY 19 1HA GLY 19 3.515 -6.018 -6.119 136 H ILE 20 H ILE 20 2.792 -4.059 -3.278 137 HA ILE 20 HA ILE 20 1.595 -2.019 -5.026 138 HB ILE 20 HB ILE 20 1.347 -1.846 -2.078 139 1HG1 ILE 20 2HG1 ILE 20 0.911 -4.172 -2.308 140 2HG1 ILE 20 1HG1 ILE 20 -0.648 -3.366 -2.158 141 1HG2 ILE 20 1HG2 ILE 20 0.265 -0.110 -3.153 142 2HG2 ILE 20 2HG2 ILE 20 -1.044 -1.257 -2.878 143 3HG2 ILE 20 3HG2 ILE 20 -0.295 -1.140 -4.470 144 1HD1 ILE 20 1HD1 ILE 20 0.232 -5.109 -4.193 145 2HD1 ILE 20 2HD1 ILE 20 0.001 -3.519 -4.917 146 3HD1 ILE 20 3HD1 ILE 20 -1.321 -4.290 -4.046 147 H SER 21 H SER 21 2.292 0.077 -4.985 148 HA SER 21 HA SER 21 4.931 0.547 -3.880 149 1HB SER 21 2HB SER 21 4.417 2.905 -4.950 150 2HB SER 21 1HB SER 21 4.807 1.531 -5.984 151 HG SER 21 HG SER 21 2.991 2.377 -6.853 152 H CYS 22 H CYS 22 5.333 1.638 -2.026 153 HA CYS 22 HA CYS 22 3.003 2.624 -0.556 154 1HB CYS 22 2HB CYS 22 4.747 0.928 0.373 155 2HB CYS 22 1HB CYS 22 5.737 2.358 0.644 156 H LYS 23 H LYS 23 2.625 4.687 -0.213 157 HA LYS 23 HA LYS 23 4.619 6.675 -1.018 158 1HB LYS 23 2HB LYS 23 2.824 8.242 -1.153 159 2HB LYS 23 1HB LYS 23 2.268 6.764 -1.922 160 1HG LYS 23 2HG LYS 23 1.215 6.219 0.363 161 2HG LYS 23 1HG LYS 23 1.458 7.931 0.712 162 1HD LYS 23 2HD LYS 23 0.287 8.301 -1.571 163 2HD LYS 23 1HD LYS 23 -0.286 6.647 -1.351 164 1HE LYS 23 2HE LYS 23 -1.801 7.274 0.163 165 2HE LYS 23 1HE LYS 23 -0.629 8.255 1.043 166 1HZ LYS 23 1HZ LYS 23 -2.692 9.308 -0.194 167 2HZ LYS 23 2HZ LYS 23 -1.617 9.304 -1.500 168 3HZ LYS 23 3HZ LYS 23 -1.214 10.122 -0.074 169 H ASN 24 H ASN 24 3.457 8.743 0.633 170 HA ASN 24 HA ASN 24 5.091 8.719 2.831 171 1HB ASN 24 2HB ASN 24 3.781 10.666 1.737 172 2HB ASN 24 1HB ASN 24 2.492 10.224 2.850 173 1HD2 ASN 24 1HD2 ASN 24 3.474 12.697 3.026 174 2HD2 ASN 24 2HD2 ASN 24 4.454 12.881 4.437 175 H GLY 25 H GLY 25 4.478 6.368 3.344 176 1HA GLY 25 2HA GLY 25 3.916 5.024 5.141 177 2HA GLY 25 1HA GLY 25 3.054 6.378 5.849 178 H TYR 26 H TYR 26 2.177 5.664 2.584 179 HA TYR 26 HA TYR 26 0.003 3.913 3.452 180 1HB TYR 26 2HB TYR 26 -0.411 6.617 2.183 181 2HB TYR 26 1HB TYR 26 -1.654 5.366 2.190 182 HD1 TYR 26 1HD TYR 26 -0.600 8.220 3.823 183 HD2 TYR 26 2HD TYR 26 -1.959 4.277 4.653 184 HE1 TYR 26 1HE TYR 26 -1.317 8.944 6.061 185 HE2 TYR 26 2HE TYR 26 -2.673 4.983 6.890 186 HH TYR 26 HH TYR 26 -2.038 6.851 8.531 187 H CYS 27 H CYS 27 -1.518 3.599 1.366 188 HA CYS 27 HA CYS 27 0.199 2.294 -0.553 189 1HB CYS 27 2HB CYS 27 -2.450 1.940 0.428 190 2HB CYS 27 1HB CYS 27 -2.551 2.166 -1.311 191 H GLN 28 H GLN 28 0.456 2.777 -2.676 192 HA GLN 28 HA GLN 28 -0.339 5.446 -3.531 193 1HB GLN 28 2HB GLN 28 1.719 3.462 -4.330 194 2HB GLN 28 1HB GLN 28 1.096 4.496 -5.600 195 1HG GLN 28 2HG GLN 28 1.626 6.440 -4.029 196 2HG GLN 28 1HG GLN 28 2.574 5.268 -3.115 197 1HE2 GLN 28 1HE2 GLN 28 4.600 4.877 -3.745 198 2HE2 GLN 28 2HE2 GLN 28 5.302 5.408 -5.231 199 H GLY 29 H GLY 29 -0.596 2.074 -4.620 200 1HA GLY 29 2HA GLY 29 -3.190 2.117 -5.521 201 2HA GLY 29 1HA GLY 29 -2.230 2.667 -6.889 202 H CYS 30 H CYS 30 -3.316 -0.027 -5.121 203 HA CYS 30 HA CYS 30 -1.294 -1.856 -6.036 204 1HB CYS 30 2HB CYS 30 -2.789 -3.583 -4.986 205 2HB CYS 30 1HB CYS 30 -2.270 -2.302 -3.902 206 H THR 31 H THR 31 -3.949 -3.710 -6.375 207 HA THR 31 HA THR 31 -3.898 -3.438 -9.286 208 HB THR 31 HB THR 31 -4.569 -5.704 -9.420 209 HG1 THR 31 1HG THR 31 -6.200 -5.889 -7.983 210 1HG2 THR 31 1HG2 THR 31 -3.108 -6.368 -7.030 211 2HG2 THR 31 2HG2 THR 31 -2.305 -5.080 -7.929 212 3HG2 THR 31 3HG2 THR 31 -2.675 -6.610 -8.723 Start of MODEL 3 1 1H THR 1 1HT THR 1 -9.037 -0.303 -3.904 2 2H THR 1 2HT THR 1 -8.140 -0.876 -2.558 3 3H THR 1 3HT THR 1 -7.350 -0.013 -3.816 4 HA THR 1 HA THR 1 -8.619 1.937 -3.291 5 HB THR 1 HB THR 1 -9.676 1.604 -0.828 6 HG1 THR 1 1HG THR 1 -10.595 -0.363 -0.604 7 1HG2 THR 1 1HG2 THR 1 -11.603 0.660 -2.777 8 2HG2 THR 1 2HG2 THR 1 -10.717 2.084 -3.324 9 3HG2 THR 1 3HG2 THR 1 -11.599 2.126 -1.797 10 HA PRO 2 HA PRO 2 -4.775 1.920 -0.779 11 1HB PRO 2 2HB PRO 2 -3.464 3.810 -2.140 12 2HB PRO 2 1HB PRO 2 -3.620 2.171 -2.786 13 1HG PRO 2 2HG PRO 2 -5.160 4.640 -3.487 14 2HG PRO 2 1HG PRO 2 -4.508 3.387 -4.557 15 1HD PRO 2 2HD PRO 2 -7.132 3.515 -3.714 16 2HD PRO 2 1HD PRO 2 -6.322 2.035 -4.267 17 H TYR 3 H TYR 3 -7.190 3.190 0.035 18 HA TYR 3 HA TYR 3 -6.371 5.898 0.752 19 1HB TYR 3 2HB TYR 3 -8.983 4.417 0.839 20 2HB TYR 3 1HB TYR 3 -8.760 5.892 1.774 21 HD1 TYR 3 1HD TYR 3 -8.524 4.538 -1.686 22 HD2 TYR 3 2HD TYR 3 -9.086 7.978 0.755 23 HE1 TYR 3 1HE TYR 3 -9.058 5.862 -3.687 24 HE2 TYR 3 2HE TYR 3 -9.623 9.312 -1.240 25 HH TYR 3 HH TYR 3 -10.382 7.988 -4.193 26 HA PRO 4 HA PRO 4 -6.616 3.887 5.012 27 1HB PRO 4 2HB PRO 4 -8.050 1.701 5.488 28 2HB PRO 4 1HB PRO 4 -8.849 3.235 5.120 29 1HG PRO 4 2HG PRO 4 -8.519 0.826 3.426 30 2HG PRO 4 1HG PRO 4 -9.804 2.044 3.413 31 1HD PRO 4 2HD PRO 4 -7.503 1.891 1.711 32 2HD PRO 4 1HD PRO 4 -8.769 3.129 1.724 33 H VAL 5 H VAL 5 -5.167 2.372 2.511 34 HA VAL 5 HA VAL 5 -4.156 0.095 4.043 35 HB VAL 5 HB VAL 5 -2.956 0.491 1.406 36 1HG1 VAL 5 1HG1 VAL 5 -3.182 -1.560 3.095 37 2HG1 VAL 5 2HG1 VAL 5 -2.972 -1.769 1.357 38 3HG1 VAL 5 3HG1 VAL 5 -4.581 -1.886 2.072 39 1HG2 VAL 5 1HG2 VAL 5 -4.923 -0.094 0.095 40 2HG2 VAL 5 2HG2 VAL 5 -5.184 1.440 0.925 41 3HG2 VAL 5 3HG2 VAL 5 -5.929 -0.033 1.542 42 H ASN 6 H ASN 6 -2.678 0.702 5.459 43 HA ASN 6 HA ASN 6 -0.686 2.718 4.787 44 1HB ASN 6 2HB ASN 6 0.070 2.330 7.182 45 2HB ASN 6 1HB ASN 6 -1.550 2.983 6.980 46 1HD2 ASN 6 1HD2 ASN 6 0.301 0.097 7.728 47 2HD2 ASN 6 2HD2 ASN 6 -0.975 -0.734 8.542 48 H CYS 7 H CYS 7 1.621 2.299 5.335 49 HA CYS 7 HA CYS 7 2.692 -0.291 5.579 50 1HB CYS 7 2HB CYS 7 3.624 -0.539 3.242 51 2HB CYS 7 1HB CYS 7 1.899 -0.830 3.388 52 H LYS 8 H LYS 8 5.038 -0.390 4.829 53 HA LYS 8 HA LYS 8 6.336 2.231 5.182 54 1HB LYS 8 2HB LYS 8 6.939 -0.440 6.399 55 2HB LYS 8 1HB LYS 8 8.271 0.660 6.073 56 1HG LYS 8 2HG LYS 8 6.850 2.391 7.360 57 2HG LYS 8 1HG LYS 8 5.978 0.982 7.965 58 1HD LYS 8 2HD LYS 8 7.879 0.122 9.033 59 2HD LYS 8 1HD LYS 8 8.973 1.156 8.114 60 1HE LYS 8 2HE LYS 8 7.071 1.977 10.304 61 2HE LYS 8 1HE LYS 8 8.832 2.009 10.348 62 1HZ LYS 8 1HZ LYS 8 8.289 4.195 9.933 63 2HZ LYS 8 2HZ LYS 8 6.981 3.813 8.932 64 3HZ LYS 8 3HZ LYS 8 8.563 3.621 8.365 65 H THR 9 H THR 9 6.649 -1.035 3.815 66 HA THR 9 HA THR 9 8.394 0.054 1.706 67 HB THR 9 HB THR 9 8.981 -2.439 1.359 68 HG1 THR 9 1HG THR 9 8.104 -2.627 4.047 69 1HG2 THR 9 1HG2 THR 9 10.469 -0.706 2.436 70 2HG2 THR 9 2HG2 THR 9 10.780 -2.391 2.854 71 3HG2 THR 9 3HG2 THR 9 9.922 -1.343 3.985 72 H ASP 10 H ASP 10 8.193 -1.663 -0.305 73 HA ASP 10 HA ASP 10 5.713 -1.090 -1.479 74 1HB ASP 10 2HB ASP 10 6.451 -2.769 -3.250 75 2HB ASP 10 1HB ASP 10 7.524 -1.406 -2.960 76 H ARG 11 H ARG 11 6.942 -4.316 -0.486 77 HA ARG 11 HA ARG 11 4.406 -5.559 -0.896 78 1HB ARG 11 2HB ARG 11 7.059 -6.406 0.139 79 2HB ARG 11 1HB ARG 11 5.668 -7.384 0.590 80 1HG ARG 11 2HG ARG 11 6.335 -6.664 -2.252 81 2HG ARG 11 1HG ARG 11 6.891 -8.138 -1.456 82 1HD ARG 11 2HD ARG 11 4.735 -9.003 -1.281 83 2HD ARG 11 1HD ARG 11 3.982 -7.425 -1.500 84 HE ARG 11 HE ARG 11 4.102 -7.708 -3.770 85 1HH1 ARG 11 1HH1 ARG 11 6.134 -10.114 -2.235 86 2HH1 ARG 11 2HH1 ARG 11 6.404 -10.997 -3.699 87 1HH2 ARG 11 1HH2 ARG 11 4.464 -8.875 -5.697 88 2HH2 ARG 11 2HH2 ARG 11 5.457 -10.293 -5.666 89 H ASP 12 H ASP 12 5.145 -3.407 1.466 90 HA ASP 12 HA ASP 12 4.059 -4.817 3.730 91 1HB ASP 12 2HB ASP 12 5.143 -2.114 3.228 92 2HB ASP 12 1HB ASP 12 3.869 -2.197 4.437 93 H CYS 13 H CYS 13 2.920 -2.863 1.115 94 HA CYS 13 HA CYS 13 0.271 -2.597 2.298 95 1HB CYS 13 2HB CYS 13 1.740 -0.983 0.594 96 2HB CYS 13 1HB CYS 13 0.576 -1.747 -0.482 97 H VAL 14 H VAL 14 1.533 -5.220 1.460 98 HA VAL 14 HA VAL 14 0.509 -6.250 -0.878 99 HB VAL 14 HB VAL 14 2.024 -7.360 0.911 100 1HG1 VAL 14 1HG1 VAL 14 0.341 -7.296 2.716 101 2HG1 VAL 14 2HG1 VAL 14 0.948 -8.921 2.400 102 3HG1 VAL 14 3HG1 VAL 14 -0.643 -8.443 1.807 103 1HG2 VAL 14 1HG2 VAL 14 1.787 -8.528 -1.062 104 2HG2 VAL 14 2HG2 VAL 14 0.040 -8.696 -0.879 105 3HG2 VAL 14 3HG2 VAL 14 1.129 -9.669 0.110 106 H MET 15 H MET 15 -1.194 -5.502 2.086 107 HA MET 15 HA MET 15 -3.504 -7.035 1.791 108 1HB MET 15 2HB MET 15 -2.889 -4.414 3.091 109 2HB MET 15 1HB MET 15 -4.573 -4.883 2.914 110 1HG MET 15 2HG MET 15 -2.952 -7.034 3.977 111 2HG MET 15 1HG MET 15 -2.870 -5.581 4.968 112 1HE MET 15 1HE MET 15 -4.688 -4.414 6.012 113 2HE MET 15 2HE MET 15 -4.556 -5.756 7.148 114 3HE MET 15 3HE MET 15 -6.144 -5.203 6.617 115 H CYS 16 H CYS 16 -2.415 -4.228 0.041 116 HA CYS 16 HA CYS 16 -4.991 -3.683 -1.156 117 1HB CYS 16 2HB CYS 16 -3.059 -2.002 -0.630 118 2HB CYS 16 1HB CYS 16 -2.385 -2.561 -2.156 119 H GLY 17 H GLY 17 -1.860 -5.070 -2.191 120 1HA GLY 17 2HA GLY 17 -3.119 -6.838 -4.027 121 2HA GLY 17 1HA GLY 17 -2.445 -5.464 -4.885 122 H LEU 18 H LEU 18 -1.263 -7.340 -5.882 123 HA LEU 18 HA LEU 18 0.947 -8.374 -4.312 124 1HB LEU 18 2HB LEU 18 0.112 -8.933 -7.156 125 2HB LEU 18 1HB LEU 18 1.452 -9.709 -6.335 126 HG LEU 18 HG LEU 18 -1.198 -9.897 -5.015 127 1HD1 LEU 18 1HD1 LEU 18 -1.291 -10.320 -7.646 128 2HD1 LEU 18 2HD1 LEU 18 -2.213 -11.280 -6.491 129 3HD1 LEU 18 3HD1 LEU 18 -0.691 -11.897 -7.135 130 1HD2 LEU 18 1HD2 LEU 18 -0.354 -11.849 -4.145 131 2HD2 LEU 18 2HD2 LEU 18 1.123 -10.909 -4.352 132 3HD2 LEU 18 3HD2 LEU 18 0.693 -12.145 -5.533 133 H GLY 19 H GLY 19 1.993 -6.368 -4.024 134 1HA GLY 19 2HA GLY 19 4.106 -5.381 -4.645 135 2HA GLY 19 1HA GLY 19 3.664 -5.600 -6.334 136 H ILE 20 H ILE 20 2.980 -3.749 -3.413 137 HA ILE 20 HA ILE 20 1.653 -1.700 -5.053 138 HB ILE 20 HB ILE 20 1.512 -1.648 -2.086 139 1HG1 ILE 20 2HG1 ILE 20 1.094 -3.963 -2.403 140 2HG1 ILE 20 1HG1 ILE 20 -0.473 -3.187 -2.187 141 1HG2 ILE 20 1HG2 ILE 20 0.346 0.115 -2.973 142 2HG2 ILE 20 2HG2 ILE 20 -0.933 -1.089 -2.821 143 3HG2 ILE 20 3HG2 ILE 20 -0.174 -0.801 -4.386 144 1HD1 ILE 20 1HD1 ILE 20 -1.167 -4.062 -4.090 145 2HD1 ILE 20 2HD1 ILE 20 0.405 -4.820 -4.322 146 3HD1 ILE 20 3HD1 ILE 20 0.100 -3.206 -4.961 147 H SER 21 H SER 21 2.188 0.465 -4.848 148 HA SER 21 HA SER 21 4.884 0.987 -3.882 149 1HB SER 21 2HB SER 21 2.953 2.848 -5.298 150 2HB SER 21 1HB SER 21 4.663 3.153 -4.997 151 HG SER 21 HG SER 21 3.784 2.148 -7.135 152 H CYS 22 H CYS 22 5.313 1.991 -1.990 153 HA CYS 22 HA CYS 22 3.009 2.834 -0.398 154 1HB CYS 22 2HB CYS 22 4.842 1.154 0.387 155 2HB CYS 22 1HB CYS 22 5.789 2.604 0.703 156 H LYS 23 H LYS 23 2.602 4.851 0.132 157 HA LYS 23 HA LYS 23 4.450 6.966 -0.695 158 1HB LYS 23 2HB LYS 23 2.597 8.444 -0.660 159 2HB LYS 23 1HB LYS 23 1.988 6.958 -1.371 160 1HG LYS 23 2HG LYS 23 1.429 6.541 1.250 161 2HG LYS 23 1HG LYS 23 1.256 8.293 1.137 162 1HD LYS 23 2HD LYS 23 -0.003 7.214 -1.137 163 2HD LYS 23 1HD LYS 23 -0.516 6.228 0.232 164 1HE LYS 23 2HE LYS 23 -1.464 8.048 1.343 165 2HE LYS 23 1HE LYS 23 -0.569 9.222 0.378 166 1HZ LYS 23 1HZ LYS 23 -3.064 8.799 -0.097 167 2HZ LYS 23 2HZ LYS 23 -2.509 7.437 -0.934 168 3HZ LYS 23 3HZ LYS 23 -1.994 8.981 -1.394 169 H ASN 24 H ASN 24 3.382 8.894 1.165 170 HA ASN 24 HA ASN 24 5.158 8.696 3.267 171 1HB ASN 24 2HB ASN 24 3.709 10.714 2.303 172 2HB ASN 24 1HB ASN 24 2.678 10.300 3.669 173 1HD2 ASN 24 1HD2 ASN 24 3.195 12.415 4.472 174 2HD2 ASN 24 2HD2 ASN 24 4.682 12.681 5.311 175 H GLY 25 H GLY 25 4.532 6.373 3.694 176 1HA GLY 25 2HA GLY 25 3.989 4.940 5.429 177 2HA GLY 25 1HA GLY 25 3.135 6.258 6.214 178 H TYR 26 H TYR 26 2.270 5.643 2.906 179 HA TYR 26 HA TYR 26 0.073 3.894 3.708 180 1HB TYR 26 2HB TYR 26 -0.327 6.653 2.562 181 2HB TYR 26 1HB TYR 26 -1.577 5.413 2.513 182 HD1 TYR 26 1HD TYR 26 -1.939 4.221 4.898 183 HD2 TYR 26 2HD TYR 26 -0.444 8.161 4.306 184 HE1 TYR 26 1HE TYR 26 -2.632 4.816 7.175 185 HE2 TYR 26 2HE TYR 26 -1.142 8.772 6.583 186 HH TYR 26 HH TYR 26 -3.242 6.934 8.427 187 H CYS 27 H CYS 27 -1.476 3.744 1.574 188 HA CYS 27 HA CYS 27 0.253 2.504 -0.398 189 1HB CYS 27 2HB CYS 27 -2.357 2.022 0.615 190 2HB CYS 27 1HB CYS 27 -2.509 2.328 -1.107 191 H GLN 28 H GLN 28 0.521 3.104 -2.470 192 HA GLN 28 HA GLN 28 -0.412 5.753 -3.247 193 1HB GLN 28 2HB GLN 28 1.782 3.939 -4.042 194 2HB GLN 28 1HB GLN 28 1.084 4.885 -5.343 195 1HG GLN 28 2HG GLN 28 1.450 6.913 -3.862 196 2HG GLN 28 1HG GLN 28 2.446 5.859 -2.858 197 1HE2 GLN 28 1HE2 GLN 28 4.452 5.240 -3.568 198 2HE2 GLN 28 2HE2 GLN 28 5.191 5.877 -4.993 199 H GLY 29 H GLY 29 -0.515 2.403 -4.436 200 1HA GLY 29 2HA GLY 29 -3.091 2.377 -5.381 201 2HA GLY 29 1HA GLY 29 -2.131 3.003 -6.715 202 H CYS 30 H CYS 30 -3.164 0.224 -5.067 203 HA CYS 30 HA CYS 30 -1.062 -1.518 -5.970 204 1HB CYS 30 2HB CYS 30 -2.579 -3.323 -5.062 205 2HB CYS 30 1HB CYS 30 -2.093 -2.093 -3.906 206 H THR 31 H THR 31 -3.694 -3.396 -6.484 207 HA THR 31 HA THR 31 -3.500 -3.047 -9.383 208 HB THR 31 HB THR 31 -4.159 -5.318 -9.611 209 HG1 THR 31 1HG THR 31 -5.002 -5.127 -6.919 210 1HG2 THR 31 1HG2 THR 31 -1.885 -5.236 -8.865 211 2HG2 THR 31 2HG2 THR 31 -2.688 -6.604 -8.093 212 3HG2 THR 31 3HG2 THR 31 -2.394 -5.124 -7.182 Start of MODEL 4 1 1H THR 1 1HT THR 1 -10.058 0.559 -2.992 2 2H THR 1 2HT THR 1 -9.745 0.624 -1.306 3 3H THR 1 3HT THR 1 -8.562 -0.005 -2.377 4 HA THR 1 HA THR 1 -8.433 2.159 -3.448 5 HB THR 1 HB THR 1 -10.688 2.903 -2.754 6 HG1 THR 1 1HG THR 1 -9.826 4.760 -3.137 7 1HG2 THR 1 1HG2 THR 1 -11.209 2.438 -0.611 8 2HG2 THR 1 2HG2 THR 1 -10.568 4.062 -0.357 9 3HG2 THR 1 3HG2 THR 1 -9.555 2.653 -0.040 10 HA PRO 2 HA PRO 2 -4.957 2.362 -0.678 11 1HB PRO 2 2HB PRO 2 -3.567 4.332 -1.837 12 2HB PRO 2 1HB PRO 2 -3.811 2.783 -2.652 13 1HG PRO 2 2HG PRO 2 -5.222 5.387 -3.064 14 2HG PRO 2 1HG PRO 2 -4.661 4.215 -4.269 15 1HD PRO 2 2HD PRO 2 -7.259 4.408 -3.363 16 2HD PRO 2 1HD PRO 2 -6.551 2.948 -4.079 17 H TYR 3 H TYR 3 -7.275 3.677 0.343 18 HA TYR 3 HA TYR 3 -6.270 6.216 1.374 19 1HB TYR 3 2HB TYR 3 -8.906 5.051 0.918 20 2HB TYR 3 1HB TYR 3 -8.758 5.771 2.518 21 HD1 TYR 3 1HD TYR 3 -7.708 8.186 2.560 22 HD2 TYR 3 2HD TYR 3 -9.505 6.410 -0.865 23 HE1 TYR 3 1HE TYR 3 -8.065 10.419 1.596 24 HE2 TYR 3 2HE TYR 3 -9.866 8.640 -1.837 25 HH TYR 3 HH TYR 3 -8.413 11.174 -1.224 26 HA PRO 4 HA PRO 4 -6.652 3.725 5.370 27 1HB PRO 4 2HB PRO 4 -8.146 1.532 5.563 28 2HB PRO 4 1HB PRO 4 -8.894 3.128 5.425 29 1HG PRO 4 2HG PRO 4 -8.625 0.983 3.385 30 2HG PRO 4 1HG PRO 4 -9.915 2.176 3.601 31 1HD PRO 4 2HD PRO 4 -7.735 2.312 1.790 32 2HD PRO 4 1HD PRO 4 -8.921 3.584 2.137 33 H VAL 5 H VAL 5 -5.349 2.405 2.632 34 HA VAL 5 HA VAL 5 -4.250 0.048 3.996 35 HB VAL 5 HB VAL 5 -3.202 0.214 1.359 36 1HG1 VAL 5 1HG1 VAL 5 -4.833 -1.821 1.141 37 2HG1 VAL 5 2HG1 VAL 5 -5.042 -1.576 2.875 38 3HG1 VAL 5 3HG1 VAL 5 -3.439 -1.899 2.217 39 1HG2 VAL 5 1HG2 VAL 5 -5.124 0.307 -0.048 40 2HG2 VAL 5 2HG2 VAL 5 -5.153 1.756 0.952 41 3HG2 VAL 5 3HG2 VAL 5 -6.213 0.401 1.336 42 H ASN 6 H ASN 6 -2.717 0.824 5.330 43 HA ASN 6 HA ASN 6 -0.733 2.717 4.357 44 1HB ASN 6 2HB ASN 6 0.129 2.629 6.702 45 2HB ASN 6 1HB ASN 6 -1.549 3.138 6.574 46 1HD2 ASN 6 1HD2 ASN 6 0.613 0.951 7.978 47 2HD2 ASN 6 2HD2 ASN 6 -0.544 -0.079 8.742 48 H CYS 7 H CYS 7 1.595 2.294 4.925 49 HA CYS 7 HA CYS 7 2.592 -0.322 5.262 50 1HB CYS 7 2HB CYS 7 3.524 -0.664 2.946 51 2HB CYS 7 1HB CYS 7 1.785 -0.880 3.079 52 H LYS 8 H LYS 8 4.919 -0.520 4.754 53 HA LYS 8 HA LYS 8 6.291 2.071 5.033 54 1HB LYS 8 2HB LYS 8 7.398 -0.620 5.854 55 2HB LYS 8 1HB LYS 8 8.016 0.969 6.274 56 1HG LYS 8 2HG LYS 8 6.947 0.623 8.208 57 2HG LYS 8 1HG LYS 8 5.511 1.107 7.303 58 1HD LYS 8 2HD LYS 8 4.979 -1.208 6.839 59 2HD LYS 8 1HD LYS 8 6.470 -1.737 7.622 60 1HE LYS 8 2HE LYS 8 5.685 -1.261 9.740 61 2HE LYS 8 1HE LYS 8 4.509 -0.085 9.154 62 1HZ LYS 8 1HZ LYS 8 4.336 -3.037 9.092 63 2HZ LYS 8 2HZ LYS 8 3.358 -2.074 8.103 64 3HZ LYS 8 3HZ LYS 8 3.258 -1.935 9.786 65 H THR 9 H THR 9 6.348 -1.104 3.487 66 HA THR 9 HA THR 9 8.118 -0.027 1.396 67 HB THR 9 HB THR 9 9.102 -2.224 1.097 68 HG1 THR 9 1HG THR 9 7.490 -3.621 1.598 69 1HG2 THR 9 1HG2 THR 9 10.526 -1.469 2.639 70 2HG2 THR 9 2HG2 THR 9 9.730 -2.625 3.707 71 3HG2 THR 9 3HG2 THR 9 9.238 -0.931 3.714 72 H ASP 10 H ASP 10 7.901 -1.785 -0.589 73 HA ASP 10 HA ASP 10 5.375 -1.305 -1.699 74 1HB ASP 10 2HB ASP 10 7.526 -3.273 -2.491 75 2HB ASP 10 1HB ASP 10 6.080 -2.984 -3.450 76 H ARG 11 H ARG 11 6.720 -4.473 -0.705 77 HA ARG 11 HA ARG 11 4.232 -5.817 -0.985 78 1HB ARG 11 2HB ARG 11 5.431 -7.644 0.348 79 2HB ARG 11 1HB ARG 11 6.079 -7.206 -1.222 80 1HG ARG 11 2HG ARG 11 7.233 -5.727 1.032 81 2HG ARG 11 1HG ARG 11 7.537 -7.465 1.048 82 1HD ARG 11 2HD ARG 11 8.734 -7.415 -0.917 83 2HD ARG 11 1HD ARG 11 7.933 -5.953 -1.491 84 HE ARG 11 HE ARG 11 9.591 -5.556 0.831 85 1HH1 ARG 11 1HH1 ARG 11 9.524 -5.627 -2.673 86 2HH1 ARG 11 2HH1 ARG 11 10.930 -4.631 -2.840 87 1HH2 ARG 11 1HH2 ARG 11 11.442 -4.250 0.601 88 2HH2 ARG 11 2HH2 ARG 11 12.020 -3.851 -0.982 89 H ASP 12 H ASP 12 4.991 -3.595 1.322 90 HA ASP 12 HA ASP 12 3.940 -4.949 3.632 91 1HB ASP 12 2HB ASP 12 4.981 -2.244 3.045 92 2HB ASP 12 1HB ASP 12 3.758 -2.330 4.305 93 H CYS 13 H CYS 13 2.727 -2.982 1.038 94 HA CYS 13 HA CYS 13 0.106 -2.735 2.275 95 1HB CYS 13 2HB CYS 13 1.493 -1.118 0.531 96 2HB CYS 13 1HB CYS 13 0.368 -1.945 -0.538 97 H VAL 14 H VAL 14 1.401 -5.357 1.397 98 HA VAL 14 HA VAL 14 0.306 -6.437 -0.871 99 HB VAL 14 HB VAL 14 1.899 -7.506 0.846 100 1HG1 VAL 14 1HG1 VAL 14 -0.706 -8.537 1.956 101 2HG1 VAL 14 2HG1 VAL 14 0.354 -7.377 2.757 102 3HG1 VAL 14 3HG1 VAL 14 0.916 -9.020 2.450 103 1HG2 VAL 14 1HG2 VAL 14 1.566 -8.766 -1.041 104 2HG2 VAL 14 2HG2 VAL 14 -0.176 -8.883 -0.791 105 3HG2 VAL 14 3HG2 VAL 14 0.923 -9.845 0.198 106 H MET 15 H MET 15 -1.344 -5.571 2.069 107 HA MET 15 HA MET 15 -3.610 -7.167 1.995 108 1HB MET 15 2HB MET 15 -3.537 -4.222 2.693 109 2HB MET 15 1HB MET 15 -4.759 -5.381 3.194 110 1HG MET 15 2HG MET 15 -1.867 -5.333 4.022 111 2HG MET 15 1HG MET 15 -3.264 -4.935 5.019 112 1HE MET 15 1HE MET 15 -2.546 -6.700 6.977 113 2HE MET 15 2HE MET 15 -1.079 -6.826 6.005 114 3HE MET 15 3HE MET 15 -1.898 -8.286 6.561 115 H CYS 16 H CYS 16 -2.673 -4.512 -0.079 116 HA CYS 16 HA CYS 16 -5.285 -4.256 -1.299 117 1HB CYS 16 2HB CYS 16 -2.758 -2.792 -1.351 118 2HB CYS 16 1HB CYS 16 -3.460 -2.970 -2.956 119 H GLY 17 H GLY 17 -2.085 -5.551 -2.226 120 1HA GLY 17 2HA GLY 17 -3.237 -7.580 -3.849 121 2HA GLY 17 1HA GLY 17 -2.655 -6.264 -4.854 122 H LEU 18 H LEU 18 -1.308 -8.045 -5.710 123 HA LEU 18 HA LEU 18 0.934 -8.859 -4.054 124 1HB LEU 18 2HB LEU 18 0.564 -9.590 -6.943 125 2HB LEU 18 1HB LEU 18 1.458 -10.449 -5.704 126 HG LEU 18 HG LEU 18 -1.529 -10.171 -5.529 127 1HD1 LEU 18 1HD1 LEU 18 -0.551 -11.206 -7.749 128 2HD1 LEU 18 2HD1 LEU 18 -1.933 -11.927 -6.926 129 3HD1 LEU 18 3HD1 LEU 18 -0.323 -12.616 -6.714 130 1HD2 LEU 18 1HD2 LEU 18 -1.328 -12.212 -4.211 131 2HD2 LEU 18 2HD2 LEU 18 -0.319 -10.930 -3.543 132 3HD2 LEU 18 3HD2 LEU 18 0.414 -12.229 -4.483 133 H GLY 19 H GLY 19 1.845 -6.765 -3.856 134 1HA GLY 19 2HA GLY 19 3.923 -5.710 -4.512 135 2HA GLY 19 1HA GLY 19 3.497 -6.021 -6.190 136 H ILE 20 H ILE 20 2.682 -4.097 -3.346 137 HA ILE 20 HA ILE 20 1.306 -2.163 -5.084 138 HB ILE 20 HB ILE 20 1.078 -2.004 -2.134 139 1HG1 ILE 20 2HG1 ILE 20 0.842 -4.374 -2.389 140 2HG1 ILE 20 1HG1 ILE 20 -0.765 -3.691 -2.157 141 1HG2 ILE 20 1HG2 ILE 20 -1.394 -1.688 -2.986 142 2HG2 ILE 20 2HG2 ILE 20 -0.578 -1.366 -4.517 143 3HG2 ILE 20 3HG2 ILE 20 -0.212 -0.385 -3.096 144 1HD1 ILE 20 1HD1 ILE 20 -1.467 -4.560 -4.063 145 2HD1 ILE 20 2HD1 ILE 20 0.088 -5.375 -4.211 146 3HD1 ILE 20 3HD1 ILE 20 -0.153 -3.796 -4.951 147 H SER 21 H SER 21 2.310 -0.285 -5.469 148 HA SER 21 HA SER 21 4.770 0.427 -4.295 149 1HB SER 21 2HB SER 21 2.751 2.042 -5.868 150 2HB SER 21 1HB SER 21 4.296 2.702 -5.333 151 HG SER 21 HG SER 21 4.196 1.742 -7.520 152 H CYS 22 H CYS 22 5.264 1.631 -2.504 153 HA CYS 22 HA CYS 22 2.980 2.441 -0.848 154 1HB CYS 22 2HB CYS 22 4.808 0.792 -0.035 155 2HB CYS 22 1HB CYS 22 5.803 2.231 0.160 156 H LYS 23 H LYS 23 2.544 4.489 -0.477 157 HA LYS 23 HA LYS 23 4.420 6.554 -1.368 158 1HB LYS 23 2HB LYS 23 2.571 8.041 -1.463 159 2HB LYS 23 1HB LYS 23 1.997 6.523 -2.136 160 1HG LYS 23 2HG LYS 23 1.167 6.077 0.296 161 2HG LYS 23 1HG LYS 23 1.303 7.828 0.455 162 1HD LYS 23 2HD LYS 23 -0.054 6.884 -1.979 163 2HD LYS 23 1HD LYS 23 -0.895 6.546 -0.466 164 1HE LYS 23 2HE LYS 23 -1.346 8.724 -0.076 165 2HE LYS 23 1HE LYS 23 0.195 9.269 -0.736 166 1HZ LYS 23 1HZ LYS 23 -1.803 9.939 -2.038 167 2HZ LYS 23 2HZ LYS 23 -2.053 8.311 -2.419 168 3HZ LYS 23 3HZ LYS 23 -0.643 9.094 -2.934 169 H ASN 24 H ASN 24 3.317 8.596 0.329 170 HA ASN 24 HA ASN 24 5.040 8.567 2.468 171 1HB ASN 24 2HB ASN 24 3.508 10.457 1.353 172 2HB ASN 24 1HB ASN 24 2.533 10.125 2.781 173 1HD2 ASN 24 1HD2 ASN 24 5.987 10.515 2.001 174 2HD2 ASN 24 2HD2 ASN 24 6.329 11.582 3.315 175 H GLY 25 H GLY 25 4.435 6.241 3.024 176 1HA GLY 25 2HA GLY 25 3.901 4.903 4.830 177 2HA GLY 25 1HA GLY 25 3.078 6.269 5.562 178 H TYR 26 H TYR 26 2.152 5.490 2.311 179 HA TYR 26 HA TYR 26 -0.062 3.826 3.243 180 1HB TYR 26 2HB TYR 26 -0.421 6.495 1.884 181 2HB TYR 26 1HB TYR 26 -1.692 5.276 1.955 182 HD1 TYR 26 1HD TYR 26 -1.810 4.257 4.539 183 HD2 TYR 26 2HD TYR 26 -0.739 8.209 3.389 184 HE1 TYR 26 1HE TYR 26 -2.470 5.069 6.755 185 HE2 TYR 26 2HE TYR 26 -1.407 9.039 5.605 186 HH TYR 26 HH TYR 26 -1.583 7.608 8.129 187 H CYS 27 H CYS 27 -1.587 3.404 1.219 188 HA CYS 27 HA CYS 27 0.060 2.010 -0.674 189 1HB CYS 27 2HB CYS 27 -2.633 1.854 0.275 190 2HB CYS 27 1HB CYS 27 -2.671 1.991 -1.476 191 H GLN 28 H GLN 28 0.228 2.354 -2.875 192 HA GLN 28 HA GLN 28 -0.269 5.089 -3.733 193 1HB GLN 28 2HB GLN 28 1.518 2.889 -4.579 194 2HB GLN 28 1HB GLN 28 0.943 3.942 -5.855 195 1HG GLN 28 2HG GLN 28 1.720 5.860 -4.316 196 2HG GLN 28 1HG GLN 28 2.644 4.605 -3.493 197 1HE2 GLN 28 1HE2 GLN 28 4.688 4.980 -4.070 198 2HE2 GLN 28 2HE2 GLN 28 5.258 5.116 -5.695 199 H GLY 29 H GLY 29 -1.197 1.780 -4.647 200 1HA GLY 29 2HA GLY 29 -3.649 2.684 -5.780 201 2HA GLY 29 1HA GLY 29 -2.493 2.259 -7.030 202 H CYS 30 H CYS 30 -4.626 1.102 -4.612 203 HA CYS 30 HA CYS 30 -4.061 -1.452 -4.065 204 1HB CYS 30 2HB CYS 30 -6.318 0.110 -3.888 205 2HB CYS 30 1HB CYS 30 -6.841 -1.186 -4.954 206 H THR 31 H THR 31 -2.897 -2.462 -5.633 207 HA THR 31 HA THR 31 -4.154 -3.056 -8.204 208 HB THR 31 HB THR 31 -1.704 -2.317 -7.902 209 HG1 THR 31 1HG THR 31 -2.658 -3.310 -9.822 210 1HG2 THR 31 1HG2 THR 31 -0.193 -3.602 -6.925 211 2HG2 THR 31 2HG2 THR 31 -0.758 -5.040 -7.776 212 3HG2 THR 31 3HG2 THR 31 -1.532 -4.543 -6.273 Start of MODEL 5 1 1H THR 1 1HT THR 1 -10.373 2.274 -2.836 2 2H THR 1 2HT THR 1 -9.040 2.499 -3.891 3 3H THR 1 3HT THR 1 -9.040 3.230 -2.337 4 HA THR 1 HA THR 1 -9.416 0.693 -1.699 5 HB THR 1 HB THR 1 -7.208 0.278 -3.577 6 HG1 THR 1 1HG THR 1 -9.770 0.291 -4.750 7 1HG2 THR 1 1HG2 THR 1 -9.495 -1.241 -2.510 8 2HG2 THR 1 2HG2 THR 1 -7.819 -1.725 -2.762 9 3HG2 THR 1 3HG2 THR 1 -8.939 -1.685 -4.124 10 HA PRO 2 HA PRO 2 -4.905 1.873 -0.653 11 1HB PRO 2 2HB PRO 2 -3.545 3.683 -2.074 12 2HB PRO 2 1HB PRO 2 -3.769 2.037 -2.678 13 1HG PRO 2 2HG PRO 2 -5.219 4.545 -3.423 14 2HG PRO 2 1HG PRO 2 -4.641 3.234 -4.467 15 1HD PRO 2 2HD PRO 2 -7.242 3.509 -3.576 16 2HD PRO 2 1HD PRO 2 -6.518 1.983 -4.119 17 H TYR 3 H TYR 3 -7.238 3.236 0.205 18 HA TYR 3 HA TYR 3 -6.316 5.935 0.841 19 1HB TYR 3 2HB TYR 3 -8.932 4.600 0.677 20 2HB TYR 3 1HB TYR 3 -8.757 5.674 2.061 21 HD1 TYR 3 1HD TYR 3 -9.657 5.497 -1.329 22 HD2 TYR 3 2HD TYR 3 -7.751 8.055 1.487 23 HE1 TYR 3 1HE TYR 3 -10.112 7.426 -2.782 24 HE2 TYR 3 2HE TYR 3 -8.204 9.992 0.042 25 HH TYR 3 HH TYR 3 -10.369 9.924 -2.509 26 HA PRO 4 HA PRO 4 -6.561 4.022 5.152 27 1HB PRO 4 2HB PRO 4 -8.042 1.890 5.696 28 2HB PRO 4 1HB PRO 4 -8.808 3.436 5.311 29 1HG PRO 4 2HG PRO 4 -8.522 0.996 3.636 30 2HG PRO 4 1HG PRO 4 -9.828 2.189 3.669 31 1HD PRO 4 2HD PRO 4 -7.649 2.070 1.847 32 2HD PRO 4 1HD PRO 4 -8.863 3.355 1.987 33 H VAL 5 H VAL 5 -5.239 2.382 2.632 34 HA VAL 5 HA VAL 5 -4.227 0.144 4.222 35 HB VAL 5 HB VAL 5 -3.095 0.381 1.543 36 1HG1 VAL 5 1HG1 VAL 5 -3.164 -1.865 1.633 37 2HG1 VAL 5 2HG1 VAL 5 -4.807 -1.898 2.272 38 3HG1 VAL 5 3HG1 VAL 5 -3.447 -1.588 3.352 39 1HG2 VAL 5 1HG2 VAL 5 -5.130 -0.185 0.308 40 2HG2 VAL 5 2HG2 VAL 5 -5.270 1.411 1.045 41 3HG2 VAL 5 3HG2 VAL 5 -6.088 0.030 1.773 42 H ASN 6 H ASN 6 -2.705 0.811 5.572 43 HA ASN 6 HA ASN 6 -0.681 2.725 4.725 44 1HB ASN 6 2HB ASN 6 0.121 2.509 7.108 45 2HB ASN 6 1HB ASN 6 -1.514 3.127 6.925 46 1HD2 ASN 6 1HD2 ASN 6 -3.209 1.985 7.756 47 2HD2 ASN 6 2HD2 ASN 6 -3.024 0.537 8.681 48 H CYS 7 H CYS 7 1.632 2.259 5.299 49 HA CYS 7 HA CYS 7 2.590 -0.371 5.621 50 1HB CYS 7 2HB CYS 7 3.548 -0.654 3.276 51 2HB CYS 7 1HB CYS 7 1.826 -0.954 3.448 52 H LYS 8 H LYS 8 4.936 -0.569 4.793 53 HA LYS 8 HA LYS 8 6.341 1.989 5.169 54 1HB LYS 8 2HB LYS 8 7.368 -0.707 6.073 55 2HB LYS 8 1HB LYS 8 8.041 0.876 6.442 56 1HG LYS 8 2HG LYS 8 5.546 1.148 7.453 57 2HG LYS 8 1HG LYS 8 5.818 -0.578 7.700 58 1HD LYS 8 2HD LYS 8 7.781 -0.163 8.986 59 2HD LYS 8 1HD LYS 8 7.777 1.548 8.551 60 1HE LYS 8 2HE LYS 8 5.506 0.270 10.050 61 2HE LYS 8 1HE LYS 8 6.921 0.918 10.876 62 1HZ LYS 8 1HZ LYS 8 6.295 2.991 9.355 63 2HZ LYS 8 2HZ LYS 8 5.641 2.763 10.899 64 3HZ LYS 8 3HZ LYS 8 4.750 2.321 9.531 65 H THR 9 H THR 9 6.597 -1.319 3.870 66 HA THR 9 HA THR 9 8.361 -0.300 1.746 67 HB THR 9 HB THR 9 8.153 -3.234 2.242 68 HG1 THR 9 1HG THR 9 8.787 -3.062 4.216 69 1HG2 THR 9 1HG2 THR 9 10.192 -1.331 1.251 70 2HG2 THR 9 2HG2 THR 9 9.708 -2.909 0.628 71 3HG2 THR 9 3HG2 THR 9 10.742 -2.802 2.052 72 H ASP 10 H ASP 10 8.146 -2.096 -0.208 73 HA ASP 10 HA ASP 10 5.739 -1.495 -1.476 74 1HB ASP 10 2HB ASP 10 8.099 -2.483 -2.321 75 2HB ASP 10 1HB ASP 10 7.139 -3.958 -2.350 76 H ARG 11 H ARG 11 6.755 -4.765 -0.441 77 HA ARG 11 HA ARG 11 4.143 -5.848 -0.737 78 1HB ARG 11 2HB ARG 11 6.512 -6.984 0.754 79 2HB ARG 11 1HB ARG 11 5.078 -7.875 0.262 80 1HG ARG 11 2HG ARG 11 6.324 -8.439 -1.509 81 2HG ARG 11 1HG ARG 11 5.864 -6.847 -2.113 82 1HD ARG 11 2HD ARG 11 8.062 -6.363 -0.481 83 2HD ARG 11 1HD ARG 11 8.465 -7.854 -1.328 84 HE ARG 11 HE ARG 11 7.451 -5.874 -3.108 85 1HH1 ARG 11 1HH1 ARG 11 10.332 -6.831 -1.362 86 2HH1 ARG 11 2HH1 ARG 11 11.412 -6.075 -2.484 87 1HH2 ARG 11 1HH2 ARG 11 8.876 -4.876 -4.580 88 2HH2 ARG 11 2HH2 ARG 11 10.586 -4.965 -4.313 89 H ASP 12 H ASP 12 4.966 -3.667 1.527 90 HA ASP 12 HA ASP 12 3.928 -4.938 3.890 91 1HB ASP 12 2HB ASP 12 4.958 -2.250 3.185 92 2HB ASP 12 1HB ASP 12 3.761 -2.304 4.473 93 H CYS 13 H CYS 13 2.755 -3.016 1.247 94 HA CYS 13 HA CYS 13 0.122 -2.728 2.452 95 1HB CYS 13 2HB CYS 13 1.583 -1.135 0.740 96 2HB CYS 13 1HB CYS 13 0.435 -1.912 -0.342 97 H VAL 14 H VAL 14 1.375 -5.367 1.561 98 HA VAL 14 HA VAL 14 0.255 -6.367 -0.749 99 HB VAL 14 HB VAL 14 1.876 -7.518 0.835 100 1HG1 VAL 14 1HG1 VAL 14 1.224 -8.504 2.751 101 2HG1 VAL 14 2HG1 VAL 14 -0.364 -8.941 2.116 102 3HG1 VAL 14 3HG1 VAL 14 -0.063 -7.300 2.689 103 1HG2 VAL 14 1HG2 VAL 14 1.388 -8.819 -0.971 104 2HG2 VAL 14 2HG2 VAL 14 -0.348 -8.802 -0.660 105 3HG2 VAL 14 3HG2 VAL 14 0.710 -9.828 0.308 106 H MET 15 H MET 15 -1.325 -5.626 2.275 107 HA MET 15 HA MET 15 -3.636 -7.187 2.057 108 1HB MET 15 2HB MET 15 -3.270 -4.427 3.243 109 2HB MET 15 1HB MET 15 -4.715 -5.407 3.450 110 1HG MET 15 2HG MET 15 -3.124 -7.185 4.400 111 2HG MET 15 1HG MET 15 -1.963 -5.867 4.530 112 1HE MET 15 1HE MET 15 -2.597 -3.669 5.326 113 2HE MET 15 2HE MET 15 -2.841 -3.661 7.073 114 3HE MET 15 3HE MET 15 -4.179 -3.266 5.994 115 H CYS 16 H CYS 16 -2.609 -4.375 0.299 116 HA CYS 16 HA CYS 16 -5.234 -3.760 -0.751 117 1HB CYS 16 2HB CYS 16 -3.245 -2.125 -0.312 118 2HB CYS 16 1HB CYS 16 -2.652 -2.690 -1.870 119 H GLY 17 H GLY 17 -2.195 -5.215 -1.950 120 1HA GLY 17 2HA GLY 17 -3.613 -6.900 -3.763 121 2HA GLY 17 1HA GLY 17 -2.874 -5.554 -4.615 122 H LEU 18 H LEU 18 -1.807 -7.432 -5.682 123 HA LEU 18 HA LEU 18 0.349 -8.653 -4.178 124 1HB LEU 18 2HB LEU 18 0.783 -9.823 -6.411 125 2HB LEU 18 1HB LEU 18 -0.665 -10.253 -5.526 126 HG LEU 18 HG LEU 18 -1.022 -8.113 -7.523 127 1HD1 LEU 18 1HD1 LEU 18 -1.202 -9.984 -9.305 128 2HD1 LEU 18 2HD1 LEU 18 -0.072 -10.847 -8.265 129 3HD1 LEU 18 3HD1 LEU 18 0.375 -9.282 -8.942 130 1HD2 LEU 18 1HD2 LEU 18 -2.676 -9.659 -6.051 131 2HD2 LEU 18 2HD2 LEU 18 -2.631 -10.580 -7.555 132 3HD2 LEU 18 3HD2 LEU 18 -3.136 -8.891 -7.569 133 H GLY 19 H GLY 19 1.538 -6.763 -3.820 134 1HA GLY 19 2HA GLY 19 3.676 -5.846 -4.382 135 2HA GLY 19 1HA GLY 19 3.285 -6.061 -6.083 136 H ILE 20 H ILE 20 2.619 -4.128 -3.214 137 HA ILE 20 HA ILE 20 1.471 -2.027 -4.920 138 HB ILE 20 HB ILE 20 1.256 -1.875 -1.971 139 1HG1 ILE 20 2HG1 ILE 20 0.781 -4.195 -2.214 140 2HG1 ILE 20 1HG1 ILE 20 -0.757 -3.358 -2.018 141 1HG2 ILE 20 1HG2 ILE 20 0.196 -0.115 -3.031 142 2HG2 ILE 20 2HG2 ILE 20 -1.131 -1.236 -2.735 143 3HG2 ILE 20 3HG2 ILE 20 -0.406 -1.134 -4.339 144 1HD1 ILE 20 1HD1 ILE 20 0.019 -5.109 -4.080 145 2HD1 ILE 20 2HD1 ILE 20 -0.163 -3.508 -4.797 146 3HD1 ILE 20 3HD1 ILE 20 -1.499 -4.231 -3.905 147 H SER 21 H SER 21 2.300 0.012 -4.939 148 HA SER 21 HA SER 21 4.929 0.387 -3.782 149 1HB SER 21 2HB SER 21 3.300 2.439 -5.295 150 2HB SER 21 1HB SER 21 5.047 2.409 -5.056 151 HG SER 21 HG SER 21 3.920 1.546 -7.132 152 H CYS 22 H CYS 22 5.332 1.421 -1.909 153 HA CYS 22 HA CYS 22 3.039 2.526 -0.479 154 1HB CYS 22 2HB CYS 22 4.757 0.813 0.487 155 2HB CYS 22 1HB CYS 22 5.766 2.234 0.734 156 H LYS 23 H LYS 23 2.726 4.614 -0.152 157 HA LYS 23 HA LYS 23 4.808 6.511 -0.976 158 1HB LYS 23 2HB LYS 23 2.970 8.176 -1.054 159 2HB LYS 23 1HB LYS 23 2.701 6.821 -2.133 160 1HG LYS 23 2HG LYS 23 0.639 6.884 -1.256 161 2HG LYS 23 1HG LYS 23 1.380 5.942 0.035 162 1HD LYS 23 2HD LYS 23 1.298 7.651 1.515 163 2HD LYS 23 1HD LYS 23 1.592 8.875 0.280 164 1HE LYS 23 2HE LYS 23 -1.016 7.396 0.548 165 2HE LYS 23 1HE LYS 23 -0.690 8.927 1.358 166 1HZ LYS 23 1HZ LYS 23 -1.829 9.375 -0.668 167 2HZ LYS 23 2HZ LYS 23 -0.752 8.432 -1.569 168 3HZ LYS 23 3HZ LYS 23 -0.228 9.881 -0.872 169 H ASN 24 H ASN 24 3.586 8.657 0.561 170 HA ASN 24 HA ASN 24 5.114 8.743 2.808 171 1HB ASN 24 2HB ASN 24 3.591 10.533 1.578 172 2HB ASN 24 1HB ASN 24 2.491 10.148 2.896 173 1HD2 ASN 24 1HD2 ASN 24 5.905 10.943 2.329 174 2HD2 ASN 24 2HD2 ASN 24 6.075 11.948 3.723 175 H GLY 25 H GLY 25 4.588 6.384 3.375 176 1HA GLY 25 2HA GLY 25 4.043 5.036 5.167 177 2HA GLY 25 1HA GLY 25 3.184 6.389 5.883 178 H TYR 26 H TYR 26 2.212 5.676 2.654 179 HA TYR 26 HA TYR 26 0.090 3.889 3.587 180 1HB TYR 26 2HB TYR 26 -0.373 6.594 2.345 181 2HB TYR 26 1HB TYR 26 -1.605 5.335 2.347 182 HD1 TYR 26 1HD TYR 26 -1.855 4.207 4.815 183 HD2 TYR 26 2HD TYR 26 -0.579 8.180 3.996 184 HE1 TYR 26 1HE TYR 26 -2.553 4.886 7.067 185 HE2 TYR 26 2HE TYR 26 -1.278 8.874 6.248 186 HH TYR 26 HH TYR 26 -1.581 7.438 8.609 187 H CYS 27 H CYS 27 -1.493 3.559 1.550 188 HA CYS 27 HA CYS 27 0.160 2.253 -0.419 189 1HB CYS 27 2HB CYS 27 -2.460 1.909 0.638 190 2HB CYS 27 1HB CYS 27 -2.613 2.140 -1.096 191 H GLN 28 H GLN 28 0.333 2.717 -2.562 192 HA GLN 28 HA GLN 28 -0.440 5.397 -3.390 193 1HB GLN 28 2HB GLN 28 1.520 3.350 -4.305 194 2HB GLN 28 1HB GLN 28 0.910 4.482 -5.494 195 1HG GLN 28 2HG GLN 28 1.612 6.336 -3.979 196 2HG GLN 28 1HG GLN 28 2.382 5.123 -2.958 197 1HE2 GLN 28 1HE2 GLN 28 4.501 5.286 -3.235 198 2HE2 GLN 28 2HE2 GLN 28 5.315 5.402 -4.755 199 H GLY 29 H GLY 29 -0.707 2.056 -4.590 200 1HA GLY 29 2HA GLY 29 -3.366 2.167 -5.373 201 2HA GLY 29 1HA GLY 29 -2.415 2.666 -6.765 202 H CYS 30 H CYS 30 -3.519 0.033 -4.890 203 HA CYS 30 HA CYS 30 -1.611 -1.878 -5.884 204 1HB CYS 30 2HB CYS 30 -3.094 -3.535 -4.713 205 2HB CYS 30 1HB CYS 30 -2.476 -2.250 -3.686 206 H THR 31 H THR 31 -4.355 -3.642 -6.034 207 HA THR 31 HA THR 31 -4.445 -3.418 -8.948 208 HB THR 31 HB THR 31 -5.267 -5.654 -9.004 209 HG1 THR 31 1HG THR 31 -6.762 -5.616 -7.340 210 1HG2 THR 31 1HG2 THR 31 -3.515 -6.098 -6.676 211 2HG2 THR 31 2HG2 THR 31 -2.821 -5.193 -8.021 212 3HG2 THR 31 3HG2 THR 31 -3.473 -6.809 -8.288 Start of MODEL 6 1 1H THR 1 1HT THR 1 -8.121 -0.634 -2.525 2 2H THR 1 2HT THR 1 -7.857 0.276 -3.955 3 3H THR 1 3HT THR 1 -9.441 -0.241 -3.545 4 HA THR 1 HA THR 1 -8.904 2.132 -3.122 5 HB THR 1 HB THR 1 -9.676 0.708 -0.592 6 HG1 THR 1 1HG THR 1 -11.555 0.011 -1.478 7 1HG2 THR 1 1HG2 THR 1 -10.769 2.568 -0.117 8 2HG2 THR 1 2HG2 THR 1 -11.614 2.532 -1.664 9 3HG2 THR 1 3HG2 THR 1 -10.035 3.307 -1.539 10 HA PRO 2 HA PRO 2 -4.920 2.001 -0.820 11 1HB PRO 2 2HB PRO 2 -3.609 3.824 -2.271 12 2HB PRO 2 1HB PRO 2 -3.855 2.184 -2.883 13 1HG PRO 2 2HG PRO 2 -5.332 4.698 -3.552 14 2HG PRO 2 1HG PRO 2 -4.783 3.403 -4.630 15 1HD PRO 2 2HD PRO 2 -7.356 3.652 -3.654 16 2HD PRO 2 1HD PRO 2 -6.637 2.136 -4.233 17 H TYR 3 H TYR 3 -7.241 3.366 0.102 18 HA TYR 3 HA TYR 3 -6.286 6.049 0.760 19 1HB TYR 3 2HB TYR 3 -8.901 4.789 0.510 20 2HB TYR 3 1HB TYR 3 -8.739 5.670 2.024 21 HD1 TYR 3 1HD TYR 3 -10.279 6.098 -0.834 22 HD2 TYR 3 2HD TYR 3 -7.063 7.957 1.244 23 HE1 TYR 3 1HE TYR 3 -10.739 8.204 -2.015 24 HE2 TYR 3 2HE TYR 3 -7.515 10.067 0.067 25 HH TYR 3 HH TYR 3 -9.009 10.418 -2.577 26 HA PRO 4 HA PRO 4 -6.500 4.079 5.049 27 1HB PRO 4 2HB PRO 4 -7.965 1.927 5.573 28 2HB PRO 4 1HB PRO 4 -8.740 3.479 5.230 29 1HG PRO 4 2HG PRO 4 -8.470 1.076 3.500 30 2HG PRO 4 1HG PRO 4 -9.782 2.263 3.579 31 1HD PRO 4 2HD PRO 4 -7.638 2.191 1.718 32 2HD PRO 4 1HD PRO 4 -8.845 3.476 1.914 33 H VAL 5 H VAL 5 -5.208 2.481 2.483 34 HA VAL 5 HA VAL 5 -4.156 0.227 4.027 35 HB VAL 5 HB VAL 5 -3.067 0.518 1.334 36 1HG1 VAL 5 1HG1 VAL 5 -3.373 -1.484 3.117 37 2HG1 VAL 5 2HG1 VAL 5 -3.101 -1.727 1.393 38 3HG1 VAL 5 3HG1 VAL 5 -4.737 -1.794 2.044 39 1HG2 VAL 5 1HG2 VAL 5 -5.272 1.531 0.899 40 2HG2 VAL 5 2HG2 VAL 5 -6.050 0.110 1.595 41 3HG2 VAL 5 3HG2 VAL 5 -5.104 -0.040 0.114 42 H ASN 6 H ASN 6 -2.618 0.887 5.363 43 HA ASN 6 HA ASN 6 -0.628 2.835 4.519 44 1HB ASN 6 2HB ASN 6 0.216 2.573 6.889 45 2HB ASN 6 1HB ASN 6 -1.421 3.197 6.734 46 1HD2 ASN 6 1HD2 ASN 6 0.562 0.675 7.935 47 2HD2 ASN 6 2HD2 ASN 6 -0.687 -0.252 8.686 48 H CYS 7 H CYS 7 1.690 2.407 5.014 49 HA CYS 7 HA CYS 7 2.717 -0.201 5.303 50 1HB CYS 7 2HB CYS 7 3.612 -0.478 2.943 51 2HB CYS 7 1HB CYS 7 1.893 -0.776 3.140 52 H LYS 8 H LYS 8 5.042 -0.343 4.456 53 HA LYS 8 HA LYS 8 6.398 2.251 4.784 54 1HB LYS 8 2HB LYS 8 7.551 -0.411 5.632 55 2HB LYS 8 1HB LYS 8 8.148 1.194 6.019 56 1HG LYS 8 2HG LYS 8 6.875 1.324 7.832 57 2HG LYS 8 1HG LYS 8 5.433 0.832 6.944 58 1HD LYS 8 2HD LYS 8 5.578 -1.288 7.664 59 2HD LYS 8 1HD LYS 8 7.323 -1.350 7.407 60 1HE LYS 8 2HE LYS 8 7.785 -0.446 9.512 61 2HE LYS 8 1HE LYS 8 6.148 0.178 9.704 62 1HZ LYS 8 1HZ LYS 8 6.337 -1.704 11.092 63 2HZ LYS 8 2HZ LYS 8 7.040 -2.644 9.875 64 3HZ LYS 8 3HZ LYS 8 5.411 -2.203 9.767 65 H THR 9 H THR 9 6.614 -1.027 3.428 66 HA THR 9 HA THR 9 8.317 0.005 1.257 67 HB THR 9 HB THR 9 9.222 -2.232 0.998 68 HG1 THR 9 1HG THR 9 8.499 -3.944 2.157 69 1HG2 THR 9 1HG2 THR 9 9.957 -0.675 2.996 70 2HG2 THR 9 2HG2 THR 9 10.617 -2.296 2.784 71 3HG2 THR 9 3HG2 THR 9 9.322 -2.015 3.950 72 H ASP 10 H ASP 10 8.054 -1.773 -0.694 73 HA ASP 10 HA ASP 10 5.567 -1.227 -1.848 74 1HB ASP 10 2HB ASP 10 7.859 -3.002 -2.532 75 2HB ASP 10 1HB ASP 10 6.337 -3.273 -3.374 76 H ARG 11 H ARG 11 6.760 -4.438 -0.810 77 HA ARG 11 HA ARG 11 4.203 -5.664 -1.048 78 1HB ARG 11 2HB ARG 11 5.289 -7.574 0.151 79 2HB ARG 11 1HB ARG 11 6.097 -7.053 -1.316 80 1HG ARG 11 2HG ARG 11 7.290 -5.602 0.759 81 2HG ARG 11 1HG ARG 11 7.112 -7.252 1.358 82 1HD ARG 11 2HD ARG 11 8.344 -8.148 -0.445 83 2HD ARG 11 1HD ARG 11 8.260 -6.638 -1.351 84 HE ARG 11 HE ARG 11 9.591 -6.078 1.014 85 1HH1 ARG 11 1HH1 ARG 11 10.091 -8.100 -1.800 86 2HH1 ARG 11 2HH1 ARG 11 11.817 -8.026 -1.700 87 1HH2 ARG 11 1HH2 ARG 11 11.866 -5.981 1.142 88 2HH2 ARG 11 2HH2 ARG 11 12.826 -6.822 -0.028 89 H ASP 12 H ASP 12 5.059 -3.456 1.215 90 HA ASP 12 HA ASP 12 4.036 -4.763 3.565 91 1HB ASP 12 2HB ASP 12 5.155 -2.111 2.927 92 2HB ASP 12 1HB ASP 12 3.905 -2.100 4.162 93 H CYS 13 H CYS 13 2.815 -2.863 0.944 94 HA CYS 13 HA CYS 13 0.212 -2.552 2.216 95 1HB CYS 13 2HB CYS 13 1.625 -0.958 0.463 96 2HB CYS 13 1HB CYS 13 0.459 -1.747 -0.591 97 H VAL 14 H VAL 14 1.439 -5.193 1.343 98 HA VAL 14 HA VAL 14 0.308 -6.233 -0.942 99 HB VAL 14 HB VAL 14 1.923 -7.351 0.704 100 1HG1 VAL 14 1HG1 VAL 14 0.968 -8.844 2.352 101 2HG1 VAL 14 2HG1 VAL 14 -0.659 -8.306 1.933 102 3HG1 VAL 14 3HG1 VAL 14 0.476 -7.185 2.683 103 1HG2 VAL 14 1HG2 VAL 14 -0.247 -8.676 -0.846 104 2HG2 VAL 14 2HG2 VAL 14 0.846 -9.671 0.116 105 3HG2 VAL 14 3HG2 VAL 14 1.490 -8.622 -1.149 106 H MET 15 H MET 15 -1.251 -5.475 2.095 107 HA MET 15 HA MET 15 -3.569 -7.014 1.924 108 1HB MET 15 2HB MET 15 -2.892 -4.387 3.180 109 2HB MET 15 1HB MET 15 -4.584 -4.856 3.089 110 1HG MET 15 2HG MET 15 -3.910 -7.019 4.206 111 2HG MET 15 1HG MET 15 -2.345 -6.267 4.506 112 1HE MET 15 1HE MET 15 -3.812 -7.578 6.444 113 2HE MET 15 2HE MET 15 -5.133 -6.807 7.323 114 3HE MET 15 3HE MET 15 -3.462 -6.501 7.796 115 H CYS 16 H CYS 16 -2.565 -4.234 0.091 116 HA CYS 16 HA CYS 16 -5.196 -3.681 -0.976 117 1HB CYS 16 2HB CYS 16 -3.240 -2.002 -0.572 118 2HB CYS 16 1HB CYS 16 -2.625 -2.598 -2.110 119 H GLY 17 H GLY 17 -2.124 -5.088 -2.150 120 1HA GLY 17 2HA GLY 17 -3.493 -6.870 -3.907 121 2HA GLY 17 1HA GLY 17 -2.811 -5.524 -4.803 122 H LEU 18 H LEU 18 -1.701 -7.431 -5.814 123 HA LEU 18 HA LEU 18 0.529 -8.506 -4.300 124 1HB LEU 18 2HB LEU 18 -0.577 -9.101 -7.034 125 2HB LEU 18 1HB LEU 18 0.951 -9.758 -6.481 126 HG LEU 18 HG LEU 18 -0.436 -10.657 -4.470 127 1HD1 LEU 18 1HD1 LEU 18 -2.602 -10.217 -6.521 128 2HD1 LEU 18 2HD1 LEU 18 -2.483 -9.439 -4.943 129 3HD1 LEU 18 3HD1 LEU 18 -2.761 -11.177 -5.049 130 1HD2 LEU 18 1HD2 LEU 18 -1.257 -12.562 -6.118 131 2HD2 LEU 18 2HD2 LEU 18 0.450 -12.326 -5.741 132 3HD2 LEU 18 3HD2 LEU 18 -0.216 -11.689 -7.245 133 H GLY 19 H GLY 19 1.644 -6.541 -4.062 134 1HA GLY 19 2HA GLY 19 3.747 -5.592 -4.740 135 2HA GLY 19 1HA GLY 19 3.278 -5.849 -6.417 136 H ILE 20 H ILE 20 2.672 -3.899 -3.542 137 HA ILE 20 HA ILE 20 1.370 -1.869 -5.225 138 HB ILE 20 HB ILE 20 1.273 -1.701 -2.264 139 1HG1 ILE 20 2HG1 ILE 20 0.838 -4.028 -2.474 140 2HG1 ILE 20 1HG1 ILE 20 -0.715 -3.229 -2.247 141 1HG2 ILE 20 1HG2 ILE 20 0.123 0.032 -3.259 142 2HG2 ILE 20 2HG2 ILE 20 -1.164 -1.131 -2.946 143 3HG2 ILE 20 3HG2 ILE 20 -0.484 -0.984 -4.566 144 1HD1 ILE 20 1HD1 ILE 20 -0.207 -3.375 -5.035 145 2HD1 ILE 20 2HD1 ILE 20 -1.477 -4.156 -4.099 146 3HD1 ILE 20 3HD1 ILE 20 0.070 -4.966 -4.326 147 H SER 21 H SER 21 1.979 0.284 -5.103 148 HA SER 21 HA SER 21 4.699 0.752 -4.176 149 1HB SER 21 2HB SER 21 2.774 2.473 -5.763 150 2HB SER 21 1HB SER 21 4.387 2.996 -5.280 151 HG SER 21 HG SER 21 3.784 0.740 -6.899 152 H CYS 22 H CYS 22 5.177 1.813 -2.328 153 HA CYS 22 HA CYS 22 2.922 2.766 -0.735 154 1HB CYS 22 2HB CYS 22 4.779 1.117 0.080 155 2HB CYS 22 1HB CYS 22 5.720 2.585 0.321 156 H LYS 23 H LYS 23 2.517 4.811 -0.346 157 HA LYS 23 HA LYS 23 4.384 6.865 -1.277 158 1HB LYS 23 2HB LYS 23 2.530 8.369 -1.286 159 2HB LYS 23 1HB LYS 23 1.963 6.871 -2.007 160 1HG LYS 23 2HG LYS 23 1.262 6.416 0.537 161 2HG LYS 23 1HG LYS 23 1.180 8.178 0.521 162 1HD LYS 23 2HD LYS 23 -0.060 6.782 -1.769 163 2HD LYS 23 1HD LYS 23 -0.862 6.594 -0.210 164 1HE LYS 23 2HE LYS 23 -0.066 9.281 -1.302 165 2HE LYS 23 1HE LYS 23 -1.616 8.531 -1.680 166 1HZ LYS 23 1HZ LYS 23 -1.653 8.319 0.953 167 2HZ LYS 23 2HZ LYS 23 -2.229 9.688 0.146 168 3HZ LYS 23 3HZ LYS 23 -0.679 9.697 0.823 169 H ASN 24 H ASN 24 3.280 8.883 0.482 170 HA ASN 24 HA ASN 24 5.060 8.856 2.576 171 1HB ASN 24 2HB ASN 24 3.554 10.765 1.550 172 2HB ASN 24 1HB ASN 24 2.489 10.347 2.887 173 1HD2 ASN 24 1HD2 ASN 24 3.681 10.180 5.056 174 2HD2 ASN 24 2HD2 ASN 24 4.809 11.445 5.388 175 H GLY 25 H GLY 25 4.525 6.511 3.108 176 1HA GLY 25 2HA GLY 25 4.059 5.117 4.891 177 2HA GLY 25 1HA GLY 25 3.227 6.449 5.676 178 H TYR 26 H TYR 26 2.206 5.774 2.438 179 HA TYR 26 HA TYR 26 0.060 4.023 3.385 180 1HB TYR 26 2HB TYR 26 -0.371 6.743 2.166 181 2HB TYR 26 1HB TYR 26 -1.622 5.502 2.156 182 HD1 TYR 26 1HD TYR 26 -0.615 8.327 3.818 183 HD2 TYR 26 2HD TYR 26 -1.812 4.327 4.630 184 HE1 TYR 26 1HE TYR 26 -1.290 8.994 6.087 185 HE2 TYR 26 2HE TYR 26 -2.485 4.977 6.897 186 HH TYR 26 HH TYR 26 -3.149 7.859 7.865 187 H CYS 27 H CYS 27 -1.549 3.742 1.336 188 HA CYS 27 HA CYS 27 0.106 2.438 -0.649 189 1HB CYS 27 2HB CYS 27 -2.483 2.029 0.453 190 2HB CYS 27 1HB CYS 27 -2.674 2.263 -1.277 191 H GLN 28 H GLN 28 0.291 2.946 -2.766 192 HA GLN 28 HA GLN 28 -0.603 5.591 -3.589 193 1HB GLN 28 2HB GLN 28 1.470 3.655 -4.466 194 2HB GLN 28 1HB GLN 28 0.776 4.674 -5.711 195 1HG GLN 28 2HG GLN 28 1.326 6.636 -4.188 196 2HG GLN 28 1HG GLN 28 2.311 5.495 -3.274 197 1HE2 GLN 28 1HE2 GLN 28 4.352 5.253 -3.891 198 2HE2 GLN 28 2HE2 GLN 28 5.004 5.719 -5.422 199 H GLY 29 H GLY 29 -0.829 2.218 -4.688 200 1HA GLY 29 2HA GLY 29 -3.453 2.225 -5.504 201 2HA GLY 29 1HA GLY 29 -2.543 2.791 -6.899 202 H CYS 30 H CYS 30 -3.539 0.085 -5.100 203 HA CYS 30 HA CYS 30 -1.533 -1.727 -6.090 204 1HB CYS 30 2HB CYS 30 -2.982 -3.461 -4.980 205 2HB CYS 30 1HB CYS 30 -2.425 -2.177 -3.919 206 H THR 31 H THR 31 -4.190 -3.599 -6.328 207 HA THR 31 HA THR 31 -4.732 -2.946 -9.136 208 HB THR 31 HB THR 31 -3.185 -4.681 -9.409 209 HG1 THR 31 1HG THR 31 -5.663 -6.055 -9.248 210 1HG2 THR 31 1HG2 THR 31 -2.555 -5.817 -7.605 211 2HG2 THR 31 2HG2 THR 31 -3.872 -6.921 -8.000 212 3HG2 THR 31 3HG2 THR 31 -4.125 -5.632 -6.824 Start of MODEL 7 1 1H THR 1 1HT THR 1 -9.678 0.071 -1.541 2 2H THR 1 2HT THR 1 -8.322 -0.587 -2.361 3 3H THR 1 3HT THR 1 -9.740 -0.173 -3.237 4 HA THR 1 HA THR 1 -8.249 1.508 -3.665 5 HB THR 1 HB THR 1 -9.292 3.376 -2.053 6 HG1 THR 1 1HG THR 1 -10.409 2.297 -0.595 7 1HG2 THR 1 1HG2 THR 1 -10.369 1.984 -4.404 8 2HG2 THR 1 2HG2 THR 1 -10.098 3.704 -4.116 9 3HG2 THR 1 3HG2 THR 1 -11.533 2.915 -3.460 10 HA PRO 2 HA PRO 2 -4.902 2.097 -0.795 11 1HB PRO 2 2HB PRO 2 -3.622 4.122 -1.982 12 2HB PRO 2 1HB PRO 2 -3.748 2.542 -2.765 13 1HG PRO 2 2HG PRO 2 -5.317 5.038 -3.267 14 2HG PRO 2 1HG PRO 2 -4.656 3.878 -4.433 15 1HD PRO 2 2HD PRO 2 -7.281 3.923 -3.566 16 2HD PRO 2 1HD PRO 2 -6.468 2.506 -4.259 17 H TYR 3 H TYR 3 -7.353 3.275 0.111 18 HA TYR 3 HA TYR 3 -6.580 5.919 1.072 19 1HB TYR 3 2HB TYR 3 -9.068 4.640 0.481 20 2HB TYR 3 1HB TYR 3 -9.066 5.083 2.183 21 HD1 TYR 3 1HD TYR 3 -8.752 6.410 -1.254 22 HD2 TYR 3 2HD TYR 3 -9.243 7.360 2.865 23 HE1 TYR 3 1HE TYR 3 -9.296 8.730 -1.859 24 HE2 TYR 3 2HE TYR 3 -9.790 9.681 2.271 25 HH TYR 3 HH TYR 3 -10.830 10.783 -0.091 26 HA PRO 4 HA PRO 4 -6.757 3.553 5.154 27 1HB PRO 4 2HB PRO 4 -8.141 1.304 5.449 28 2HB PRO 4 1HB PRO 4 -8.970 2.850 5.233 29 1HG PRO 4 2HG PRO 4 -8.596 0.618 3.310 30 2HG PRO 4 1HG PRO 4 -9.932 1.773 3.446 31 1HD PRO 4 2HD PRO 4 -7.708 1.888 1.665 32 2HD PRO 4 1HD PRO 4 -8.980 3.106 1.886 33 H VAL 5 H VAL 5 -5.312 2.268 2.511 34 HA VAL 5 HA VAL 5 -4.210 -0.072 3.893 35 HB VAL 5 HB VAL 5 -3.076 0.409 1.261 36 1HG1 VAL 5 1HG1 VAL 5 -4.142 -1.947 0.989 37 2HG1 VAL 5 2HG1 VAL 5 -4.422 -1.816 2.725 38 3HG1 VAL 5 3HG1 VAL 5 -2.780 -1.719 2.087 39 1HG2 VAL 5 1HG2 VAL 5 -5.058 -0.031 -0.072 40 2HG2 VAL 5 2HG2 VAL 5 -5.274 1.460 0.843 41 3HG2 VAL 5 3HG2 VAL 5 -6.063 -0.023 1.377 42 H ASN 6 H ASN 6 -2.727 0.571 5.309 43 HA ASN 6 HA ASN 6 -0.779 2.618 4.607 44 1HB ASN 6 2HB ASN 6 0.027 2.232 6.986 45 2HB ASN 6 1HB ASN 6 -1.608 2.858 6.820 46 1HD2 ASN 6 1HD2 ASN 6 0.240 -0.116 7.317 47 2HD2 ASN 6 2HD2 ASN 6 -0.982 -0.926 8.231 48 H CYS 7 H CYS 7 1.553 2.201 5.161 49 HA CYS 7 HA CYS 7 2.626 -0.387 5.350 50 1HB CYS 7 2HB CYS 7 3.557 -0.595 3.006 51 2HB CYS 7 1HB CYS 7 1.837 -0.906 3.156 52 H LYS 8 H LYS 8 4.963 -0.471 4.545 53 HA LYS 8 HA LYS 8 6.267 2.135 4.960 54 1HB LYS 8 2HB LYS 8 7.243 -0.589 5.862 55 2HB LYS 8 1HB LYS 8 8.107 0.929 6.070 56 1HG LYS 8 2HG LYS 8 5.546 1.306 7.179 57 2HG LYS 8 1HG LYS 8 6.121 -0.264 7.743 58 1HD LYS 8 2HD LYS 8 6.848 1.346 9.330 59 2HD LYS 8 1HD LYS 8 8.270 0.878 8.395 60 1HE LYS 8 2HE LYS 8 8.495 2.927 7.466 61 2HE LYS 8 1HE LYS 8 6.754 3.180 7.348 62 1HZ LYS 8 1HZ LYS 8 7.239 4.678 8.960 63 2HZ LYS 8 2HZ LYS 8 8.585 3.828 9.530 64 3HZ LYS 8 3HZ LYS 8 7.027 3.330 9.963 65 H THR 9 H THR 9 6.617 -1.122 3.565 66 HA THR 9 HA THR 9 8.299 0.015 1.433 67 HB THR 9 HB THR 9 8.213 -2.936 1.942 68 HG1 THR 9 1HG THR 9 9.234 -2.806 3.762 69 1HG2 THR 9 1HG2 THR 9 10.011 -1.022 0.642 70 2HG2 THR 9 2HG2 THR 9 9.707 -2.725 0.294 71 3HG2 THR 9 3HG2 THR 9 10.803 -2.275 1.600 72 H ASP 10 H ASP 10 8.089 -1.696 -0.592 73 HA ASP 10 HA ASP 10 5.597 -1.175 -1.729 74 1HB ASP 10 2HB ASP 10 7.748 -3.149 -2.494 75 2HB ASP 10 1HB ASP 10 6.297 -2.905 -3.461 76 H ARG 11 H ARG 11 6.830 -4.399 -0.785 77 HA ARG 11 HA ARG 11 4.309 -5.675 -1.099 78 1HB ARG 11 2HB ARG 11 5.445 -7.554 0.190 79 2HB ARG 11 1HB ARG 11 6.165 -7.075 -1.338 80 1HG ARG 11 2HG ARG 11 8.092 -6.533 -0.367 81 2HG ARG 11 1HG ARG 11 7.287 -5.621 0.911 82 1HD ARG 11 2HD ARG 11 8.183 -7.279 2.182 83 2HD ARG 11 1HD ARG 11 6.673 -8.071 1.740 84 HE ARG 11 HE ARG 11 9.339 -8.663 0.688 85 1HH1 ARG 11 1HH1 ARG 11 5.908 -9.397 0.710 86 2HH1 ARG 11 2HH1 ARG 11 6.108 -10.927 -0.070 87 1HH2 ARG 11 1HH2 ARG 11 9.589 -10.682 -0.340 88 2HH2 ARG 11 2HH2 ARG 11 8.195 -11.657 -0.665 89 H ASP 12 H ASP 12 5.076 -3.504 1.241 90 HA ASP 12 HA ASP 12 4.020 -4.848 3.549 91 1HB ASP 12 2HB ASP 12 4.983 -2.105 2.932 92 2HB ASP 12 1HB ASP 12 3.816 -2.256 4.239 93 H CYS 13 H CYS 13 2.824 -2.894 0.941 94 HA CYS 13 HA CYS 13 0.186 -2.665 2.144 95 1HB CYS 13 2HB CYS 13 1.625 -1.027 0.455 96 2HB CYS 13 1HB CYS 13 0.482 -1.802 -0.638 97 H VAL 14 H VAL 14 1.450 -5.279 1.252 98 HA VAL 14 HA VAL 14 0.378 -6.282 -1.079 99 HB VAL 14 HB VAL 14 1.958 -7.411 0.605 100 1HG1 VAL 14 1HG1 VAL 14 -0.659 -8.432 1.702 101 2HG1 VAL 14 2HG1 VAL 14 0.426 -7.311 2.525 102 3HG1 VAL 14 3HG1 VAL 14 0.958 -8.955 2.176 103 1HG2 VAL 14 1HG2 VAL 14 -0.133 -8.725 -1.061 104 2HG2 VAL 14 2HG2 VAL 14 0.945 -9.726 -0.089 105 3HG2 VAL 14 3HG2 VAL 14 1.612 -8.633 -1.301 106 H MET 15 H MET 15 -1.253 -5.558 1.919 107 HA MET 15 HA MET 15 -3.560 -7.113 1.683 108 1HB MET 15 2HB MET 15 -3.361 -4.293 2.772 109 2HB MET 15 1HB MET 15 -4.648 -5.443 3.106 110 1HG MET 15 2HG MET 15 -1.820 -6.133 3.767 111 2HG MET 15 1HG MET 15 -2.748 -5.079 4.830 112 1HE MET 15 1HE MET 15 -2.084 -7.379 6.695 113 2HE MET 15 2HE MET 15 -1.310 -7.917 5.204 114 3HE MET 15 3HE MET 15 -2.417 -8.992 6.060 115 H CYS 16 H CYS 16 -2.518 -4.311 -0.090 116 HA CYS 16 HA CYS 16 -5.124 -3.736 -1.206 117 1HB CYS 16 2HB CYS 16 -3.166 -2.073 -0.736 118 2HB CYS 16 1HB CYS 16 -2.530 -2.643 -2.273 119 H GLY 17 H GLY 17 -2.033 -5.144 -2.337 120 1HA GLY 17 2HA GLY 17 -3.363 -6.897 -4.142 121 2HA GLY 17 1HA GLY 17 -2.690 -5.529 -5.012 122 H LEU 18 H LEU 18 -1.546 -7.388 -6.052 123 HA LEU 18 HA LEU 18 0.680 -8.481 -4.547 124 1HB LEU 18 2HB LEU 18 -0.381 -9.011 -7.313 125 2HB LEU 18 1HB LEU 18 1.135 -9.681 -6.743 126 HG LEU 18 HG LEU 18 -1.020 -10.213 -4.873 127 1HD1 LEU 18 1HD1 LEU 18 -1.864 -12.033 -6.639 128 2HD1 LEU 18 2HD1 LEU 18 -1.501 -10.709 -7.746 129 3HD1 LEU 18 3HD1 LEU 18 -2.643 -10.465 -6.425 130 1HD2 LEU 18 1HD2 LEU 18 1.154 -11.668 -6.283 131 2HD2 LEU 18 2HD2 LEU 18 -0.175 -12.610 -5.608 132 3HD2 LEU 18 3HD2 LEU 18 0.787 -11.568 -4.560 133 H GLY 19 H GLY 19 1.790 -6.532 -4.243 134 1HA GLY 19 2HA GLY 19 3.883 -5.539 -4.880 135 2HA GLY 19 1HA GLY 19 3.425 -5.745 -6.566 136 H ILE 20 H ILE 20 2.798 -3.895 -3.634 137 HA ILE 20 HA ILE 20 1.472 -1.825 -5.250 138 HB ILE 20 HB ILE 20 1.382 -1.767 -2.283 139 1HG1 ILE 20 2HG1 ILE 20 0.940 -4.079 -2.581 140 2HG1 ILE 20 1HG1 ILE 20 -0.615 -3.288 -2.337 141 1HG2 ILE 20 1HG2 ILE 20 0.225 0.006 -3.174 142 2HG2 ILE 20 2HG2 ILE 20 -1.064 -1.179 -2.962 143 3HG2 ILE 20 3HG2 ILE 20 -0.352 -0.927 -4.554 144 1HD1 ILE 20 1HD1 ILE 20 -1.360 -4.148 -4.228 145 2HD1 ILE 20 2HD1 ILE 20 0.191 -4.944 -4.475 146 3HD1 ILE 20 3HD1 ILE 20 -0.085 -3.330 -5.124 147 H SER 21 H SER 21 2.026 0.338 -5.023 148 HA SER 21 HA SER 21 4.746 0.816 -4.088 149 1HB SER 21 2HB SER 21 2.857 2.729 -5.491 150 2HB SER 21 1HB SER 21 4.589 2.949 -5.243 151 HG SER 21 HG SER 21 5.007 1.371 -6.706 152 H CYS 22 H CYS 22 5.195 1.845 -2.210 153 HA CYS 22 HA CYS 22 2.906 2.714 -0.614 154 1HB CYS 22 2HB CYS 22 4.761 1.060 0.175 155 2HB CYS 22 1HB CYS 22 5.697 2.524 0.460 156 H LYS 23 H LYS 23 2.491 4.731 -0.101 157 HA LYS 23 HA LYS 23 4.309 6.852 -0.982 158 1HB LYS 23 2HB LYS 23 2.439 8.317 -0.924 159 2HB LYS 23 1HB LYS 23 1.851 6.824 -1.638 160 1HG LYS 23 2HG LYS 23 1.155 6.260 0.815 161 2HG LYS 23 1HG LYS 23 1.260 8.006 1.035 162 1HD LYS 23 2HD LYS 23 -0.156 7.388 -1.391 163 2HD LYS 23 1HD LYS 23 -0.879 6.535 -0.027 164 1HE LYS 23 2HE LYS 23 -1.616 8.437 0.941 165 2HE LYS 23 1HE LYS 23 -0.190 9.357 0.463 166 1HZ LYS 23 1HZ LYS 23 -2.343 8.581 -1.426 167 2HZ LYS 23 2HZ LYS 23 -1.075 9.668 -1.703 168 3HZ LYS 23 3HZ LYS 23 -2.305 10.065 -0.613 169 H ASN 24 H ASN 24 3.262 8.800 0.861 170 HA ASN 24 HA ASN 24 5.066 8.646 2.939 171 1HB ASN 24 2HB ASN 24 3.518 10.616 1.956 172 2HB ASN 24 1HB ASN 24 2.617 10.245 3.422 173 1HD2 ASN 24 1HD2 ASN 24 3.226 11.264 5.199 174 2HD2 ASN 24 2HD2 ASN 24 4.762 12.009 5.462 175 H GLY 25 H GLY 25 4.453 6.321 3.411 176 1HA GLY 25 2HA GLY 25 3.961 4.928 5.197 177 2HA GLY 25 1HA GLY 25 3.094 6.251 5.959 178 H TYR 26 H TYR 26 2.173 5.598 2.688 179 HA TYR 26 HA TYR 26 0.039 3.794 3.541 180 1HB TYR 26 2HB TYR 26 -0.459 6.531 2.373 181 2HB TYR 26 1HB TYR 26 -1.681 5.262 2.400 182 HD1 TYR 26 1HD TYR 26 -0.457 8.050 4.114 183 HD2 TYR 26 2HD TYR 26 -2.012 4.149 4.795 184 HE1 TYR 26 1HE TYR 26 -1.087 8.704 6.398 185 HE2 TYR 26 2HE TYR 26 -2.641 4.788 7.078 186 HH TYR 26 HH TYR 26 -1.488 7.115 8.726 187 H CYS 27 H CYS 27 -1.555 3.638 1.423 188 HA CYS 27 HA CYS 27 0.149 2.399 -0.564 189 1HB CYS 27 2HB CYS 27 -2.475 1.965 0.447 190 2HB CYS 27 1HB CYS 27 -2.611 2.264 -1.278 191 H GLN 28 H GLN 28 0.389 2.988 -2.654 192 HA GLN 28 HA GLN 28 -0.490 5.666 -3.400 193 1HB GLN 28 2HB GLN 28 1.651 3.810 -4.243 194 2HB GLN 28 1HB GLN 28 0.955 4.786 -5.522 195 1HG GLN 28 2HG GLN 28 1.385 6.786 -4.002 196 2HG GLN 28 1HG GLN 28 2.393 5.691 -3.056 197 1HE2 GLN 28 1HE2 GLN 28 4.311 4.902 -3.949 198 2HE2 GLN 28 2HE2 GLN 28 5.037 5.624 -5.340 199 H GLY 29 H GLY 29 -0.712 2.320 -4.563 200 1HA GLY 29 2HA GLY 29 -3.292 2.334 -5.465 201 2HA GLY 29 1HA GLY 29 -2.361 2.965 -6.819 202 H CYS 30 H CYS 30 -3.384 0.175 -5.181 203 HA CYS 30 HA CYS 30 -1.315 -1.566 -6.169 204 1HB CYS 30 2HB CYS 30 -2.772 -3.372 -5.193 205 2HB CYS 30 1HB CYS 30 -2.265 -2.131 -4.056 206 H THR 31 H THR 31 -3.937 -3.463 -6.581 207 HA THR 31 HA THR 31 -3.880 -3.090 -9.480 208 HB THR 31 HB THR 31 -4.561 -5.348 -9.695 209 HG1 THR 31 1HG THR 31 -5.471 -5.056 -7.060 210 1HG2 THR 31 1HG2 THR 31 -3.095 -6.070 -7.315 211 2HG2 THR 31 2HG2 THR 31 -2.290 -4.784 -8.215 212 3HG2 THR 31 3HG2 THR 31 -2.685 -6.305 -9.014 Start of MODEL 8 1 1H THR 1 1HT THR 1 -9.741 -0.223 -3.233 2 2H THR 1 2HT THR 1 -9.374 -0.242 -1.556 3 3H THR 1 3HT THR 1 -8.165 -0.639 -2.708 4 HA THR 1 HA THR 1 -8.322 1.593 -3.603 5 HB THR 1 HB THR 1 -10.636 2.005 -2.843 6 HG1 THR 1 1HG THR 1 -10.230 4.060 -2.798 7 1HG2 THR 1 1HG2 THR 1 -9.602 1.353 -0.262 8 2HG2 THR 1 2HG2 THR 1 -11.268 1.640 -0.760 9 3HG2 THR 1 3HG2 THR 1 -10.258 2.990 -0.243 10 HA PRO 2 HA PRO 2 -4.869 1.978 -0.807 11 1HB PRO 2 2HB PRO 2 -3.585 3.987 -2.012 12 2HB PRO 2 1HB PRO 2 -3.748 2.413 -2.799 13 1HG PRO 2 2HG PRO 2 -5.292 4.934 -3.259 14 2HG PRO 2 1HG PRO 2 -4.672 3.769 -4.443 15 1HD PRO 2 2HD PRO 2 -7.278 3.849 -3.521 16 2HD PRO 2 1HD PRO 2 -6.501 2.424 -4.239 17 H TYR 3 H TYR 3 -7.293 3.200 0.126 18 HA TYR 3 HA TYR 3 -6.443 5.818 1.097 19 1HB TYR 3 2HB TYR 3 -8.983 4.547 0.558 20 2HB TYR 3 1HB TYR 3 -8.942 5.171 2.203 21 HD1 TYR 3 1HD TYR 3 -9.307 5.994 -1.268 22 HD2 TYR 3 2HD TYR 3 -8.332 7.620 2.542 23 HE1 TYR 3 1HE TYR 3 -9.765 8.254 -2.120 24 HE2 TYR 3 2HE TYR 3 -8.790 9.884 1.700 25 HH TYR 3 HH TYR 3 -10.431 10.494 -1.147 26 HA PRO 4 HA PRO 4 -6.760 3.437 5.165 27 1HB PRO 4 2HB PRO 4 -8.146 1.181 5.407 28 2HB PRO 4 1HB PRO 4 -8.973 2.730 5.198 29 1HG PRO 4 2HG PRO 4 -8.547 0.532 3.242 30 2HG PRO 4 1HG PRO 4 -9.905 1.660 3.389 31 1HD PRO 4 2HD PRO 4 -7.696 1.853 1.617 32 2HD PRO 4 1HD PRO 4 -8.956 3.070 1.896 33 H VAL 5 H VAL 5 -5.326 2.117 2.501 34 HA VAL 5 HA VAL 5 -4.213 -0.203 3.900 35 HB VAL 5 HB VAL 5 -3.050 0.270 1.281 36 1HG1 VAL 5 1HG1 VAL 5 -4.774 -2.059 1.678 37 2HG1 VAL 5 2HG1 VAL 5 -3.539 -1.851 2.918 38 3HG1 VAL 5 3HG1 VAL 5 -3.073 -1.963 1.222 39 1HG2 VAL 5 1HG2 VAL 5 -5.222 1.355 0.829 40 2HG2 VAL 5 2HG2 VAL 5 -6.047 -0.110 1.359 41 3HG2 VAL 5 3HG2 VAL 5 -5.026 -0.145 -0.078 42 H ASN 6 H ASN 6 -2.737 0.442 5.325 43 HA ASN 6 HA ASN 6 -0.811 2.512 4.642 44 1HB ASN 6 2HB ASN 6 -0.018 2.179 7.006 45 2HB ASN 6 1HB ASN 6 -1.688 2.701 6.853 46 1HD2 ASN 6 1HD2 ASN 6 -1.226 1.766 9.189 47 2HD2 ASN 6 2HD2 ASN 6 -1.763 0.138 9.406 48 H CYS 7 H CYS 7 1.518 2.130 5.224 49 HA CYS 7 HA CYS 7 2.623 -0.453 5.366 50 1HB CYS 7 2HB CYS 7 3.606 -0.549 3.028 51 2HB CYS 7 1HB CYS 7 1.890 -0.908 3.142 52 H LYS 8 H LYS 8 4.976 -0.471 4.586 53 HA LYS 8 HA LYS 8 6.240 2.131 5.135 54 1HB LYS 8 2HB LYS 8 7.144 -0.631 5.981 55 2HB LYS 8 1HB LYS 8 8.119 0.822 6.148 56 1HG LYS 8 2HG LYS 8 5.616 1.370 7.331 57 2HG LYS 8 1HG LYS 8 6.129 -0.218 7.903 58 1HD LYS 8 2HD LYS 8 6.934 1.532 9.389 59 2HD LYS 8 1HD LYS 8 8.285 0.733 8.585 60 1HE LYS 8 2HE LYS 8 8.931 2.619 7.570 61 2HE LYS 8 1HE LYS 8 7.283 3.027 7.097 62 1HZ LYS 8 1HZ LYS 8 7.958 4.726 8.533 63 2HZ LYS 8 2HZ LYS 8 8.667 3.657 9.635 64 3HZ LYS 8 3HZ LYS 8 6.983 3.735 9.498 65 H THR 9 H THR 9 6.650 -1.054 3.612 66 HA THR 9 HA THR 9 8.373 0.185 1.571 67 HB THR 9 HB THR 9 9.517 -1.865 1.293 68 HG1 THR 9 1HG THR 9 7.592 -3.133 2.947 69 1HG2 THR 9 1HG2 THR 9 10.136 -2.636 3.604 70 2HG2 THR 9 2HG2 THR 9 8.966 -1.466 4.216 71 3HG2 THR 9 3HG2 THR 9 10.356 -0.917 3.278 72 H ASP 10 H ASP 10 8.266 -1.532 -0.472 73 HA ASP 10 HA ASP 10 5.812 -0.997 -1.704 74 1HB ASP 10 2HB ASP 10 8.239 -2.533 -2.386 75 2HB ASP 10 1HB ASP 10 6.775 -3.034 -3.226 76 H ARG 11 H ARG 11 7.056 -4.240 -0.813 77 HA ARG 11 HA ARG 11 4.523 -5.477 -1.196 78 1HB ARG 11 2HB ARG 11 7.193 -6.322 -0.725 79 2HB ARG 11 1HB ARG 11 6.170 -7.087 0.484 80 1HG ARG 11 2HG ARG 11 4.853 -7.270 -2.024 81 2HG ARG 11 1HG ARG 11 6.525 -7.791 -2.236 82 1HD ARG 11 2HD ARG 11 5.104 -8.804 0.154 83 2HD ARG 11 1HD ARG 11 4.565 -9.422 -1.405 84 HE ARG 11 HE ARG 11 7.246 -9.726 -1.531 85 1HH1 ARG 11 1HH1 ARG 11 4.860 -10.688 0.846 86 2HH1 ARG 11 2HH1 ARG 11 5.754 -12.077 1.361 87 1HH2 ARG 11 1HH2 ARG 11 8.418 -11.563 -0.846 88 2HH2 ARG 11 2HH2 ARG 11 7.771 -12.574 0.402 89 H ASP 12 H ASP 12 5.210 -3.363 1.191 90 HA ASP 12 HA ASP 12 4.210 -4.840 3.453 91 1HB ASP 12 2HB ASP 12 5.237 -2.133 2.967 92 2HB ASP 12 1HB ASP 12 3.909 -2.191 4.120 93 H CYS 13 H CYS 13 2.972 -2.848 0.903 94 HA CYS 13 HA CYS 13 0.322 -2.732 2.096 95 1HB CYS 13 2HB CYS 13 1.713 -1.001 0.462 96 2HB CYS 13 1HB CYS 13 0.611 -1.789 -0.660 97 H VAL 14 H VAL 14 1.700 -5.270 1.138 98 HA VAL 14 HA VAL 14 0.671 -6.247 -1.223 99 HB VAL 14 HB VAL 14 2.301 -7.364 0.412 100 1HG1 VAL 14 1HG1 VAL 14 1.584 -8.566 2.193 101 2HG1 VAL 14 2HG1 VAL 14 0.028 -8.943 1.456 102 3HG1 VAL 14 3HG1 VAL 14 0.301 -7.357 2.174 103 1HG2 VAL 14 1HG2 VAL 14 1.358 -9.698 -0.323 104 2HG2 VAL 14 2HG2 VAL 14 1.982 -8.556 -1.514 105 3HG2 VAL 14 3HG2 VAL 14 0.242 -8.708 -1.265 106 H MET 15 H MET 15 -0.992 -5.653 1.781 107 HA MET 15 HA MET 15 -3.227 -7.310 1.495 108 1HB MET 15 2HB MET 15 -3.246 -4.514 2.650 109 2HB MET 15 1HB MET 15 -4.362 -5.820 3.018 110 1HG MET 15 2HG MET 15 -3.037 -6.614 4.606 111 2HG MET 15 1HG MET 15 -1.637 -6.608 3.539 112 1HE MET 15 1HE MET 15 -3.384 -5.523 6.326 113 2HE MET 15 2HE MET 15 -3.522 -3.769 6.202 114 3HE MET 15 3HE MET 15 -2.230 -4.486 7.166 115 H CYS 16 H CYS 16 -2.306 -4.400 -0.171 116 HA CYS 16 HA CYS 16 -4.934 -3.905 -1.273 117 1HB CYS 16 2HB CYS 16 -3.058 -2.172 -0.735 118 2HB CYS 16 1HB CYS 16 -2.388 -2.657 -2.288 119 H GLY 17 H GLY 17 -1.782 -5.123 -2.443 120 1HA GLY 17 2HA GLY 17 -3.046 -6.849 -4.333 121 2HA GLY 17 1HA GLY 17 -2.375 -5.436 -5.131 122 H LEU 18 H LEU 18 -1.174 -7.253 -6.206 123 HA LEU 18 HA LEU 18 1.030 -8.343 -4.670 124 1HB LEU 18 2HB LEU 18 0.344 -8.769 -7.577 125 2HB LEU 18 1HB LEU 18 1.537 -9.660 -6.650 126 HG LEU 18 HG LEU 18 -1.407 -9.676 -5.995 127 1HD1 LEU 18 1HD1 LEU 18 -0.467 -10.664 -8.301 128 2HD1 LEU 18 2HD1 LEU 18 -1.785 -11.407 -7.396 129 3HD1 LEU 18 3HD1 LEU 18 -0.146 -12.037 -7.240 130 1HD2 LEU 18 1HD2 LEU 18 0.628 -10.357 -4.391 131 2HD2 LEU 18 2HD2 LEU 18 0.421 -11.879 -5.257 132 3HD2 LEU 18 3HD2 LEU 18 -0.933 -11.177 -4.369 133 H GLY 19 H GLY 19 2.073 -6.359 -4.280 134 1HA GLY 19 2HA GLY 19 4.166 -5.314 -4.819 135 2HA GLY 19 1HA GLY 19 3.781 -5.508 -6.524 136 H ILE 20 H ILE 20 2.983 -3.710 -3.599 137 HA ILE 20 HA ILE 20 1.704 -1.641 -5.250 138 HB ILE 20 HB ILE 20 1.476 -1.603 -2.293 139 1HG1 ILE 20 2HG1 ILE 20 1.123 -3.932 -2.625 140 2HG1 ILE 20 1HG1 ILE 20 -0.460 -3.188 -2.421 141 1HG2 ILE 20 1HG2 ILE 20 0.325 0.140 -3.282 142 2HG2 ILE 20 2HG2 ILE 20 -0.940 -1.064 -3.042 143 3HG2 ILE 20 3HG2 ILE 20 -0.215 -0.853 -4.636 144 1HD1 ILE 20 1HD1 ILE 20 0.455 -4.807 -4.543 145 2HD1 ILE 20 2HD1 ILE 20 0.158 -3.195 -5.192 146 3HD1 ILE 20 3HD1 ILE 20 -1.123 -4.053 -4.342 147 H SER 21 H SER 21 2.263 0.516 -5.029 148 HA SER 21 HA SER 21 4.924 1.008 -3.959 149 1HB SER 21 2HB SER 21 3.067 2.923 -5.404 150 2HB SER 21 1HB SER 21 4.781 3.170 -5.073 151 HG SER 21 HG SER 21 3.548 1.619 -7.010 152 H CYS 22 H CYS 22 5.294 1.986 -2.042 153 HA CYS 22 HA CYS 22 2.956 2.806 -0.503 154 1HB CYS 22 2HB CYS 22 4.830 1.188 0.314 155 2HB CYS 22 1HB CYS 22 5.723 2.670 0.639 156 H LYS 23 H LYS 23 2.462 4.813 -0.038 157 HA LYS 23 HA LYS 23 4.279 6.976 -0.808 158 1HB LYS 23 2HB LYS 23 2.372 8.406 -0.823 159 2HB LYS 23 1HB LYS 23 1.890 6.921 -1.626 160 1HG LYS 23 2HG LYS 23 1.040 6.264 0.768 161 2HG LYS 23 1HG LYS 23 1.045 8.012 1.013 162 1HD LYS 23 2HD LYS 23 -0.183 7.047 -1.492 163 2HD LYS 23 1HD LYS 23 -1.044 6.658 -0.002 164 1HE LYS 23 2HE LYS 23 -0.439 9.269 0.415 165 2HE LYS 23 1HE LYS 23 -0.632 9.247 -1.338 166 1HZ LYS 23 1HZ LYS 23 -2.720 9.735 -0.244 167 2HZ LYS 23 2HZ LYS 23 -2.633 8.298 0.643 168 3HZ LYS 23 3HZ LYS 23 -2.821 8.243 -1.036 169 H ASN 24 H ASN 24 3.024 8.868 0.994 170 HA ASN 24 HA ASN 24 4.733 8.835 3.141 171 1HB ASN 24 2HB ASN 24 2.280 10.333 2.435 172 2HB ASN 24 1HB ASN 24 2.740 10.360 4.133 173 1HD2 ASN 24 1HD2 ASN 24 4.260 11.757 4.756 174 2HD2 ASN 24 2HD2 ASN 24 5.267 12.673 3.692 175 H GLY 25 H GLY 25 4.306 6.433 3.543 176 1HA GLY 25 2HA GLY 25 3.852 4.924 5.227 177 2HA GLY 25 1HA GLY 25 2.957 6.179 6.067 178 H TYR 26 H TYR 26 2.045 5.616 2.771 179 HA TYR 26 HA TYR 26 -0.056 3.750 3.579 180 1HB TYR 26 2HB TYR 26 -0.579 6.499 2.457 181 2HB TYR 26 1HB TYR 26 -1.778 5.208 2.415 182 HD1 TYR 26 1HD TYR 26 -0.746 7.996 4.203 183 HD2 TYR 26 2HD TYR 26 -2.060 3.995 4.804 184 HE1 TYR 26 1HE TYR 26 -1.453 8.576 6.485 185 HE2 TYR 26 2HE TYR 26 -2.765 4.559 7.084 186 HH TYR 26 HH TYR 26 -2.112 6.351 8.831 187 H CYS 27 H CYS 27 -1.602 3.522 1.479 188 HA CYS 27 HA CYS 27 0.141 2.377 -0.523 189 1HB CYS 27 2HB CYS 27 -2.469 1.847 0.476 190 2HB CYS 27 1HB CYS 27 -2.615 2.168 -1.245 191 H GLN 28 H GLN 28 0.333 2.971 -2.626 192 HA GLN 28 HA GLN 28 -0.581 5.647 -3.328 193 1HB GLN 28 2HB GLN 28 1.543 3.797 -4.257 194 2HB GLN 28 1HB GLN 28 0.845 4.850 -5.472 195 1HG GLN 28 2HG GLN 28 1.330 6.764 -3.878 196 2HG GLN 28 1HG GLN 28 2.309 5.611 -2.971 197 1HE2 GLN 28 1HE2 GLN 28 4.360 5.364 -3.557 198 2HE2 GLN 28 2HE2 GLN 28 5.054 5.911 -5.042 199 H GLY 29 H GLY 29 -0.698 2.339 -4.619 200 1HA GLY 29 2HA GLY 29 -3.318 2.311 -5.464 201 2HA GLY 29 1HA GLY 29 -2.402 2.970 -6.816 202 H CYS 30 H CYS 30 -3.335 0.145 -5.160 203 HA CYS 30 HA CYS 30 -1.253 -1.544 -6.199 204 1HB CYS 30 2HB CYS 30 -2.645 -3.381 -5.198 205 2HB CYS 30 1HB CYS 30 -2.168 -2.122 -4.069 206 H THR 31 H THR 31 -3.819 -3.505 -6.577 207 HA THR 31 HA THR 31 -4.361 -2.736 -9.352 208 HB THR 31 HB THR 31 -2.701 -4.344 -9.719 209 HG1 THR 31 1HG THR 31 -4.776 -4.891 -10.718 210 1HG2 THR 31 1HG2 THR 31 -2.523 -6.492 -8.587 211 2HG2 THR 31 2HG2 THR 31 -3.891 -6.069 -7.558 212 3HG2 THR 31 3HG2 THR 31 -2.389 -5.152 -7.449 Start of MODEL 9 1 1H THR 1 1HT THR 1 -8.898 -0.417 -1.643 2 2H THR 1 2HT THR 1 -8.193 -0.412 -3.207 3 3H THR 1 3HT THR 1 -9.879 -0.148 -3.024 4 HA THR 1 HA THR 1 -8.495 1.841 -3.477 5 HB THR 1 HB THR 1 -9.884 2.153 -0.848 6 HG1 THR 1 1HG THR 1 -11.846 1.657 -1.698 7 1HG2 THR 1 1HG2 THR 1 -11.118 3.652 -2.864 8 2HG2 THR 1 2HG2 THR 1 -9.381 3.790 -3.136 9 3HG2 THR 1 3HG2 THR 1 -10.066 4.229 -1.571 10 HA PRO 2 HA PRO 2 -4.930 2.077 -0.768 11 1HB PRO 2 2HB PRO 2 -3.688 4.118 -1.964 12 2HB PRO 2 1HB PRO 2 -3.847 2.554 -2.770 13 1HG PRO 2 2HG PRO 2 -5.433 5.060 -3.165 14 2HG PRO 2 1HG PRO 2 -4.809 3.928 -4.378 15 1HD PRO 2 2HD PRO 2 -7.402 3.943 -3.434 16 2HD PRO 2 1HD PRO 2 -6.603 2.536 -4.166 17 H TYR 3 H TYR 3 -7.353 3.265 0.231 18 HA TYR 3 HA TYR 3 -6.510 5.877 1.222 19 1HB TYR 3 2HB TYR 3 -9.000 4.804 0.542 20 2HB TYR 3 1HB TYR 3 -9.018 4.884 2.300 21 HD1 TYR 3 1HD TYR 3 -7.661 7.291 3.005 22 HD2 TYR 3 2HD TYR 3 -10.181 6.575 -0.349 23 HE1 TYR 3 1HE TYR 3 -8.192 9.690 2.898 24 HE2 TYR 3 2HE TYR 3 -10.716 8.971 -0.465 25 HH TYR 3 HH TYR 3 -9.570 11.157 0.274 26 HA PRO 4 HA PRO 4 -6.651 3.420 5.256 27 1HB PRO 4 2HB PRO 4 -8.016 1.150 5.503 28 2HB PRO 4 1HB PRO 4 -8.857 2.696 5.349 29 1HG PRO 4 2HG PRO 4 -8.507 0.527 3.354 30 2HG PRO 4 1HG PRO 4 -9.839 1.678 3.543 31 1HD PRO 4 2HD PRO 4 -7.639 1.844 1.736 32 2HD PRO 4 1HD PRO 4 -8.909 3.051 2.005 33 H VAL 5 H VAL 5 -5.259 2.192 2.550 34 HA VAL 5 HA VAL 5 -4.092 -0.148 3.880 35 HB VAL 5 HB VAL 5 -3.035 0.320 1.227 36 1HG1 VAL 5 1HG1 VAL 5 -3.042 -1.905 1.213 37 2HG1 VAL 5 2HG1 VAL 5 -4.762 -1.988 1.593 38 3HG1 VAL 5 3HG1 VAL 5 -3.579 -1.804 2.889 39 1HG2 VAL 5 1HG2 VAL 5 -5.044 -0.035 -0.080 40 2HG2 VAL 5 2HG2 VAL 5 -5.220 1.439 0.871 41 3HG2 VAL 5 3HG2 VAL 5 -6.030 -0.040 1.382 42 H ASN 6 H ASN 6 -2.607 0.572 5.271 43 HA ASN 6 HA ASN 6 -0.679 2.600 4.470 44 1HB ASN 6 2HB ASN 6 0.162 2.342 6.829 45 2HB ASN 6 1HB ASN 6 -1.505 2.879 6.693 46 1HD2 ASN 6 1HD2 ASN 6 0.398 1.031 8.490 47 2HD2 ASN 6 2HD2 ASN 6 -0.707 -0.204 8.977 48 H CYS 7 H CYS 7 1.662 2.205 4.999 49 HA CYS 7 HA CYS 7 2.723 -0.393 5.215 50 1HB CYS 7 2HB CYS 7 3.635 -0.596 2.854 51 2HB CYS 7 1HB CYS 7 1.921 -0.926 3.035 52 H LYS 8 H LYS 8 5.039 -0.501 4.369 53 HA LYS 8 HA LYS 8 6.391 2.082 4.776 54 1HB LYS 8 2HB LYS 8 7.498 -0.622 5.562 55 2HB LYS 8 1HB LYS 8 8.155 0.961 5.959 56 1HG LYS 8 2HG LYS 8 6.662 1.322 7.638 57 2HG LYS 8 1HG LYS 8 5.402 0.350 6.877 58 1HD LYS 8 2HD LYS 8 5.921 -1.211 8.389 59 2HD LYS 8 1HD LYS 8 7.359 -1.504 7.410 60 1HE LYS 8 2HE LYS 8 7.326 0.599 9.551 61 2HE LYS 8 1HE LYS 8 7.653 -1.091 9.935 62 1HZ LYS 8 1HZ LYS 8 9.297 0.840 8.494 63 2HZ LYS 8 2HZ LYS 8 9.350 -0.758 7.944 64 3HZ LYS 8 3HZ LYS 8 9.758 -0.402 9.546 65 H THR 9 H THR 9 6.648 -1.162 3.338 66 HA THR 9 HA THR 9 8.325 -0.043 1.192 67 HB THR 9 HB THR 9 8.233 -2.987 1.525 68 HG1 THR 9 1HG THR 9 8.488 -2.626 3.645 69 1HG2 THR 9 1HG2 THR 9 9.805 -2.446 -0.027 70 2HG2 THR 9 2HG2 THR 9 10.802 -2.481 1.426 71 3HG2 THR 9 3HG2 THR 9 10.244 -0.939 0.778 72 H ASP 10 H ASP 10 8.075 -1.764 -0.816 73 HA ASP 10 HA ASP 10 5.556 -1.222 -1.911 74 1HB ASP 10 2HB ASP 10 7.974 -2.627 -2.744 75 2HB ASP 10 1HB ASP 10 6.513 -3.367 -3.391 76 H ARG 11 H ARG 11 6.856 -4.408 -0.938 77 HA ARG 11 HA ARG 11 4.357 -5.740 -1.239 78 1HB ARG 11 2HB ARG 11 5.480 -7.635 -0.149 79 2HB ARG 11 1HB ARG 11 6.422 -6.956 -1.466 80 1HG ARG 11 2HG ARG 11 8.151 -6.808 -0.095 81 2HG ARG 11 1HG ARG 11 7.258 -5.622 0.858 82 1HD ARG 11 2HD ARG 11 6.696 -7.132 2.460 83 2HD ARG 11 1HD ARG 11 6.593 -8.469 1.315 84 HE ARG 11 HE ARG 11 8.799 -8.945 1.709 85 1HH1 ARG 11 1HH1 ARG 11 8.074 -5.784 3.037 86 2HH1 ARG 11 2HH1 ARG 11 9.598 -5.637 3.843 87 1HH2 ARG 11 1HH2 ARG 11 10.809 -8.744 2.769 88 2HH2 ARG 11 2HH2 ARG 11 11.154 -7.319 3.690 89 H ASP 12 H ASP 12 5.122 -3.530 1.061 90 HA ASP 12 HA ASP 12 4.102 -4.863 3.395 91 1HB ASP 12 2HB ASP 12 4.997 -2.092 2.747 92 2HB ASP 12 1HB ASP 12 3.919 -2.308 4.122 93 H CYS 13 H CYS 13 2.895 -2.874 0.810 94 HA CYS 13 HA CYS 13 0.253 -2.685 2.015 95 1HB CYS 13 2HB CYS 13 1.688 -1.017 0.345 96 2HB CYS 13 1HB CYS 13 0.538 -1.776 -0.749 97 H VAL 14 H VAL 14 1.601 -5.252 0.997 98 HA VAL 14 HA VAL 14 0.471 -6.205 -1.327 99 HB VAL 14 HB VAL 14 2.166 -7.400 0.019 100 1HG1 VAL 14 1HG1 VAL 14 0.705 -9.004 1.730 101 2HG1 VAL 14 2HG1 VAL 14 0.047 -7.390 1.991 102 3HG1 VAL 14 3HG1 VAL 14 1.774 -7.678 2.185 103 1HG2 VAL 14 1HG2 VAL 14 0.800 -9.711 -0.163 104 2HG2 VAL 14 2HG2 VAL 14 1.483 -8.862 -1.550 105 3HG2 VAL 14 3HG2 VAL 14 -0.223 -8.668 -1.149 106 H MET 15 H MET 15 -1.053 -5.644 1.760 107 HA MET 15 HA MET 15 -3.321 -7.254 1.568 108 1HB MET 15 2HB MET 15 -2.444 -5.081 3.192 109 2HB MET 15 1HB MET 15 -4.078 -4.718 2.656 110 1HG MET 15 2HG MET 15 -3.503 -7.427 3.739 111 2HG MET 15 1HG MET 15 -3.624 -6.069 4.857 112 1HE MET 15 1HE MET 15 -6.514 -8.141 5.420 113 2HE MET 15 2HE MET 15 -6.755 -6.484 5.974 114 3HE MET 15 3HE MET 15 -5.151 -7.216 6.051 115 H CYS 16 H CYS 16 -2.434 -4.381 -0.174 116 HA CYS 16 HA CYS 16 -5.094 -3.858 -1.182 117 1HB CYS 16 2HB CYS 16 -3.190 -2.142 -0.743 118 2HB CYS 16 1HB CYS 16 -2.553 -2.678 -2.293 119 H GLY 17 H GLY 17 -2.021 -5.182 -2.430 120 1HA GLY 17 2HA GLY 17 -3.383 -6.896 -4.256 121 2HA GLY 17 1HA GLY 17 -2.706 -5.512 -5.095 122 H LEU 18 H LEU 18 -1.586 -7.376 -6.176 123 HA LEU 18 HA LEU 18 0.649 -8.492 -4.701 124 1HB LEU 18 2HB LEU 18 -0.458 -8.989 -7.453 125 2HB LEU 18 1HB LEU 18 1.088 -9.638 -6.944 126 HG LEU 18 HG LEU 18 -0.643 -11.324 -6.731 127 1HD1 LEU 18 1HD1 LEU 18 1.226 -10.796 -4.892 128 2HD1 LEU 18 2HD1 LEU 18 0.105 -12.152 -4.769 129 3HD1 LEU 18 3HD1 LEU 18 -0.217 -10.660 -3.886 130 1HD2 LEU 18 1HD2 LEU 18 -2.391 -9.398 -6.223 131 2HD2 LEU 18 2HD2 LEU 18 -2.031 -9.853 -4.557 132 3HD2 LEU 18 3HD2 LEU 18 -2.649 -11.059 -5.687 133 H GLY 19 H GLY 19 1.748 -6.525 -4.385 134 1HA GLY 19 2HA GLY 19 3.841 -5.532 -5.032 135 2HA GLY 19 1HA GLY 19 3.368 -5.728 -6.715 136 H ILE 20 H ILE 20 2.746 -3.895 -3.763 137 HA ILE 20 HA ILE 20 1.428 -1.814 -5.368 138 HB ILE 20 HB ILE 20 1.335 -1.753 -2.405 139 1HG1 ILE 20 2HG1 ILE 20 0.931 -4.077 -2.696 140 2HG1 ILE 20 1HG1 ILE 20 -0.634 -3.308 -2.443 141 1HG2 ILE 20 1HG2 ILE 20 -1.105 -1.181 -3.050 142 2HG2 ILE 20 2HG2 ILE 20 -0.449 -0.996 -4.676 143 3HG2 ILE 20 3HG2 ILE 20 0.167 0.001 -3.358 144 1HD1 ILE 20 1HD1 ILE 20 -0.107 -3.353 -5.236 145 2HD1 ILE 20 2HD1 ILE 20 -1.383 -4.165 -4.335 146 3HD1 ILE 20 3HD1 ILE 20 0.169 -4.963 -4.576 147 H SER 21 H SER 21 2.017 0.336 -5.170 148 HA SER 21 HA SER 21 4.734 0.797 -4.226 149 1HB SER 21 2HB SER 21 2.837 2.681 -5.659 150 2HB SER 21 1HB SER 21 4.550 2.967 -5.353 151 HG SER 21 HG SER 21 4.949 1.061 -6.640 152 H CYS 22 H CYS 22 5.197 1.811 -2.352 153 HA CYS 22 HA CYS 22 2.939 2.750 -0.750 154 1HB CYS 22 2HB CYS 22 4.778 1.058 0.037 155 2HB CYS 22 1HB CYS 22 5.724 2.514 0.322 156 H LYS 23 H LYS 23 2.564 4.812 -0.354 157 HA LYS 23 HA LYS 23 4.550 6.815 -1.161 158 1HB LYS 23 2HB LYS 23 2.647 8.405 -1.112 159 2HB LYS 23 1HB LYS 23 2.402 7.085 -2.236 160 1HG LYS 23 2HG LYS 23 0.369 7.008 -1.300 161 2HG LYS 23 1HG LYS 23 1.191 6.070 -0.056 162 1HD LYS 23 2HD LYS 23 1.048 7.720 1.475 163 2HD LYS 23 1HD LYS 23 1.297 8.992 0.278 164 1HE LYS 23 2HE LYS 23 -1.266 7.431 0.493 165 2HE LYS 23 1HE LYS 23 -0.979 8.923 1.388 166 1HZ LYS 23 1HZ LYS 23 -2.181 9.172 -0.779 167 2HZ LYS 23 2HZ LYS 23 -0.744 8.751 -1.563 168 3HZ LYS 23 3HZ LYS 23 -0.809 10.144 -0.608 169 H ASN 24 H ASN 24 3.303 8.856 0.501 170 HA ASN 24 HA ASN 24 4.912 8.890 2.699 171 1HB ASN 24 2HB ASN 24 2.223 10.224 2.372 172 2HB ASN 24 1HB ASN 24 3.410 10.647 3.602 173 1HD2 ASN 24 1HD2 ASN 24 2.255 11.390 0.595 174 2HD2 ASN 24 2HD2 ASN 24 3.599 12.296 -0.002 175 H GLY 25 H GLY 25 4.470 6.492 3.184 176 1HA GLY 25 2HA GLY 25 4.013 5.056 4.931 177 2HA GLY 25 1HA GLY 25 3.132 6.348 5.724 178 H TYR 26 H TYR 26 2.118 5.725 2.485 179 HA TYR 26 HA TYR 26 0.072 3.838 3.390 180 1HB TYR 26 2HB TYR 26 -0.522 6.560 2.239 181 2HB TYR 26 1HB TYR 26 -1.708 5.258 2.269 182 HD1 TYR 26 1HD TYR 26 -0.645 8.094 3.947 183 HD2 TYR 26 2HD TYR 26 -1.883 4.095 4.700 184 HE1 TYR 26 1HE TYR 26 -1.266 8.725 6.239 185 HE2 TYR 26 2HE TYR 26 -2.504 4.709 6.993 186 HH TYR 26 HH TYR 26 -2.840 7.883 8.023 187 H CYS 27 H CYS 27 -1.545 3.570 1.346 188 HA CYS 27 HA CYS 27 0.129 2.382 -0.680 189 1HB CYS 27 2HB CYS 27 -2.480 1.926 0.374 190 2HB CYS 27 1HB CYS 27 -2.637 2.206 -1.351 191 H GLN 28 H GLN 28 0.280 2.937 -2.797 192 HA GLN 28 HA GLN 28 -0.602 5.615 -3.522 193 1HB GLN 28 2HB GLN 28 1.457 3.703 -4.490 194 2HB GLN 28 1HB GLN 28 0.779 4.807 -5.668 195 1HG GLN 28 2HG GLN 28 1.341 6.652 -3.983 196 2HG GLN 28 1HG GLN 28 2.347 5.434 -3.201 197 1HE2 GLN 28 1HE2 GLN 28 4.321 5.019 -4.009 198 2HE2 GLN 28 2HE2 GLN 28 4.957 5.712 -5.458 199 H GLY 29 H GLY 29 -0.865 2.270 -4.671 200 1HA GLY 29 2HA GLY 29 -3.473 2.265 -5.473 201 2HA GLY 29 1HA GLY 29 -2.603 2.909 -6.860 202 H CYS 30 H CYS 30 -3.532 0.104 -5.191 203 HA CYS 30 HA CYS 30 -1.488 -1.611 -6.270 204 1HB CYS 30 2HB CYS 30 -2.866 -3.431 -5.227 205 2HB CYS 30 1HB CYS 30 -2.352 -2.174 -4.113 206 H THR 31 H THR 31 -4.072 -3.555 -6.577 207 HA THR 31 HA THR 31 -4.176 -3.160 -9.470 208 HB THR 31 HB THR 31 -4.791 -5.432 -9.673 209 HG1 THR 31 1HG THR 31 -5.429 -5.315 -6.919 210 1HG2 THR 31 1HG2 THR 31 -2.849 -6.317 -9.099 211 2HG2 THR 31 2HG2 THR 31 -3.217 -6.169 -7.382 212 3HG2 THR 31 3HG2 THR 31 -2.484 -4.818 -8.247 Start of MODEL 10 1 1H THR 1 1HT THR 1 -7.555 0.139 -3.757 2 2H THR 1 2HT THR 1 -9.251 -0.028 -3.957 3 3H THR 1 3HT THR 1 -8.477 -0.699 -2.579 4 HA THR 1 HA THR 1 -8.795 2.147 -3.257 5 HB THR 1 HB THR 1 -9.848 1.804 -0.791 6 HG1 THR 1 1HG THR 1 -10.795 -0.516 -2.037 7 1HG2 THR 1 1HG2 THR 1 -11.541 1.092 -3.153 8 2HG2 THR 1 2HG2 THR 1 -10.932 2.728 -2.907 9 3HG2 THR 1 3HG2 THR 1 -11.978 1.988 -1.698 10 HA PRO 2 HA PRO 2 -4.942 1.963 -0.763 11 1HB PRO 2 2HB PRO 2 -3.578 3.839 -2.091 12 2HB PRO 2 1HB PRO 2 -3.783 2.218 -2.767 13 1HG PRO 2 2HG PRO 2 -5.256 4.742 -3.416 14 2HG PRO 2 1HG PRO 2 -4.639 3.494 -4.513 15 1HD PRO 2 2HD PRO 2 -7.256 3.671 -3.670 16 2HD PRO 2 1HD PRO 2 -6.483 2.179 -4.241 17 H TYR 3 H TYR 3 -7.290 3.267 0.129 18 HA TYR 3 HA TYR 3 -6.399 5.947 0.876 19 1HB TYR 3 2HB TYR 3 -9.013 4.579 0.689 20 2HB TYR 3 1HB TYR 3 -8.837 5.686 2.047 21 HD1 TYR 3 1HD TYR 3 -7.770 5.749 -1.543 22 HD2 TYR 3 2HD TYR 3 -9.817 7.731 1.618 23 HE1 TYR 3 1HE TYR 3 -8.234 7.644 -3.039 24 HE2 TYR 3 2HE TYR 3 -10.289 9.630 0.129 25 HH TYR 3 HH TYR 3 -9.991 9.501 -3.174 26 HA PRO 4 HA PRO 4 -6.656 3.866 5.102 27 1HB PRO 4 2HB PRO 4 -8.145 1.720 5.561 28 2HB PRO 4 1HB PRO 4 -8.905 3.280 5.226 29 1HG PRO 4 2HG PRO 4 -8.619 0.898 3.470 30 2HG PRO 4 1HG PRO 4 -9.919 2.100 3.532 31 1HD PRO 4 2HD PRO 4 -7.715 2.026 1.732 32 2HD PRO 4 1HD PRO 4 -8.933 3.304 1.891 33 H VAL 5 H VAL 5 -5.301 2.354 2.539 34 HA VAL 5 HA VAL 5 -4.328 0.024 4.015 35 HB VAL 5 HB VAL 5 -3.166 0.457 1.363 36 1HG1 VAL 5 1HG1 VAL 5 -4.789 -1.924 1.994 37 2HG1 VAL 5 2HG1 VAL 5 -3.395 -1.624 3.033 38 3HG1 VAL 5 3HG1 VAL 5 -3.177 -1.796 1.291 39 1HG2 VAL 5 1HG2 VAL 5 -5.171 -0.103 0.090 40 2HG2 VAL 5 2HG2 VAL 5 -5.388 1.429 0.937 41 3HG2 VAL 5 3HG2 VAL 5 -6.140 -0.038 1.563 42 H ASN 6 H ASN 6 -2.819 0.584 5.421 43 HA ASN 6 HA ASN 6 -0.782 2.550 4.743 44 1HB ASN 6 2HB ASN 6 -0.015 2.148 7.121 45 2HB ASN 6 1HB ASN 6 -1.637 2.805 6.949 46 1HD2 ASN 6 1HD2 ASN 6 -3.305 1.730 7.828 47 2HD2 ASN 6 2HD2 ASN 6 -3.188 0.182 8.587 48 H CYS 7 H CYS 7 1.519 2.055 5.303 49 HA CYS 7 HA CYS 7 2.504 -0.571 5.487 50 1HB CYS 7 2HB CYS 7 3.460 -0.762 3.142 51 2HB CYS 7 1HB CYS 7 1.733 -1.051 3.283 52 H LYS 8 H LYS 8 4.846 -0.712 4.682 53 HA LYS 8 HA LYS 8 6.232 1.843 5.159 54 1HB LYS 8 2HB LYS 8 6.806 -0.916 6.213 55 2HB LYS 8 1HB LYS 8 8.091 0.275 6.070 56 1HG LYS 8 2HG LYS 8 6.031 1.623 7.361 57 2HG LYS 8 1HG LYS 8 6.036 0.011 8.078 58 1HD LYS 8 2HD LYS 8 7.506 1.402 9.359 59 2HD LYS 8 1HD LYS 8 8.492 0.258 8.447 60 1HE LYS 8 2HE LYS 8 8.524 2.213 6.680 61 2HE LYS 8 1HE LYS 8 8.165 3.202 8.095 62 1HZ LYS 8 1HZ LYS 8 10.210 2.869 8.956 63 2HZ LYS 8 2HZ LYS 8 10.629 2.600 7.340 64 3HZ LYS 8 3HZ LYS 8 10.346 1.289 8.369 65 H THR 9 H THR 9 6.398 -1.361 3.658 66 HA THR 9 HA THR 9 8.217 -0.281 1.613 67 HB THR 9 HB THR 9 7.985 -3.227 2.016 68 HG1 THR 9 1HG THR 9 8.383 -2.875 4.081 69 1HG2 THR 9 1HG2 THR 9 9.595 -2.998 0.478 70 2HG2 THR 9 2HG2 THR 9 10.619 -2.683 1.879 71 3HG2 THR 9 3HG2 THR 9 9.960 -1.337 0.950 72 H ASP 10 H ASP 10 7.998 -1.971 -0.421 73 HA ASP 10 HA ASP 10 5.572 -1.341 -1.640 74 1HB ASP 10 2HB ASP 10 7.876 -3.084 -2.300 75 2HB ASP 10 1HB ASP 10 6.374 -3.431 -3.151 76 H ARG 11 H ARG 11 6.631 -4.638 -0.753 77 HA ARG 11 HA ARG 11 4.049 -5.764 -1.083 78 1HB ARG 11 2HB ARG 11 5.044 -7.763 0.019 79 2HB ARG 11 1HB ARG 11 5.945 -7.166 -1.365 80 1HG ARG 11 2HG ARG 11 7.112 -5.862 0.764 81 2HG ARG 11 1HG ARG 11 6.756 -7.468 1.404 82 1HD ARG 11 2HD ARG 11 8.073 -8.531 -0.200 83 2HD ARG 11 1HD ARG 11 8.072 -7.128 -1.268 84 HE ARG 11 HE ARG 11 9.357 -6.213 0.920 85 1HH1 ARG 11 1HH1 ARG 11 9.808 -9.059 -1.067 86 2HH1 ARG 11 2HH1 ARG 11 11.512 -9.144 -0.774 87 1HH2 ARG 11 1HH2 ARG 11 11.601 -6.326 1.300 88 2HH2 ARG 11 2HH2 ARG 11 12.532 -7.591 0.570 89 H ASP 12 H ASP 12 4.903 -3.687 1.297 90 HA ASP 12 HA ASP 12 3.819 -5.045 3.583 91 1HB ASP 12 2HB ASP 12 4.899 -2.349 3.013 92 2HB ASP 12 1HB ASP 12 3.688 -2.433 4.287 93 H CYS 13 H CYS 13 2.654 -3.035 1.009 94 HA CYS 13 HA CYS 13 0.030 -2.745 2.239 95 1HB CYS 13 2HB CYS 13 1.503 -1.116 0.573 96 2HB CYS 13 1HB CYS 13 0.343 -1.846 -0.531 97 H VAL 14 H VAL 14 1.210 -5.374 1.306 98 HA VAL 14 HA VAL 14 0.124 -6.308 -1.043 99 HB VAL 14 HB VAL 14 1.644 -7.505 0.667 100 1HG1 VAL 14 1HG1 VAL 14 -0.392 -7.384 2.354 101 2HG1 VAL 14 2HG1 VAL 14 0.765 -8.714 2.382 102 3HG1 VAL 14 3HG1 VAL 14 -0.796 -8.920 1.588 103 1HG2 VAL 14 1HG2 VAL 14 -0.426 -8.738 -1.093 104 2HG2 VAL 14 2HG2 VAL 14 0.637 -9.772 -0.138 105 3HG2 VAL 14 3HG2 VAL 14 1.323 -8.641 -1.305 106 H MET 15 H MET 15 -1.518 -5.575 1.947 107 HA MET 15 HA MET 15 -3.865 -7.057 1.658 108 1HB MET 15 2HB MET 15 -3.285 -4.393 2.935 109 2HB MET 15 1HB MET 15 -4.911 -5.063 2.926 110 1HG MET 15 2HG MET 15 -4.448 -6.384 4.637 111 2HG MET 15 1HG MET 15 -3.030 -7.038 3.822 112 1HE MET 15 1HE MET 15 -4.021 -5.541 7.062 113 2HE MET 15 2HE MET 15 -2.356 -5.624 7.638 114 3HE MET 15 3HE MET 15 -3.066 -6.998 6.790 115 H CYS 16 H CYS 16 -2.727 -4.254 -0.055 116 HA CYS 16 HA CYS 16 -5.308 -3.596 -1.183 117 1HB CYS 16 2HB CYS 16 -3.330 -1.983 -0.661 118 2HB CYS 16 1HB CYS 16 -2.675 -2.545 -2.195 119 H GLY 17 H GLY 17 -2.253 -5.077 -2.296 120 1HA GLY 17 2HA GLY 17 -3.605 -6.746 -4.158 121 2HA GLY 17 1HA GLY 17 -2.879 -5.381 -4.990 122 H LEU 18 H LEU 18 -1.777 -7.256 -6.047 123 HA LEU 18 HA LEU 18 0.389 -8.437 -4.523 124 1HB LEU 18 2HB LEU 18 -0.134 -8.873 -7.450 125 2HB LEU 18 1HB LEU 18 0.718 -9.917 -6.329 126 HG LEU 18 HG LEU 18 -2.051 -9.504 -5.533 127 1HD1 LEU 18 1HD1 LEU 18 -1.462 -10.551 -8.284 128 2HD1 LEU 18 2HD1 LEU 18 -2.634 -9.326 -7.798 129 3HD1 LEU 18 3HD1 LEU 18 -2.906 -11.019 -7.384 130 1HD2 LEU 18 1HD2 LEU 18 -2.003 -11.951 -5.416 131 2HD2 LEU 18 2HD2 LEU 18 -0.614 -11.230 -4.602 132 3HD2 LEU 18 3HD2 LEU 18 -0.423 -11.954 -6.200 133 H GLY 19 H GLY 19 1.529 -6.496 -4.169 134 1HA GLY 19 2HA GLY 19 3.676 -5.574 -4.756 135 2HA GLY 19 1HA GLY 19 3.236 -5.735 -6.451 136 H ILE 20 H ILE 20 2.629 -3.914 -3.497 137 HA ILE 20 HA ILE 20 1.402 -1.773 -5.100 138 HB ILE 20 HB ILE 20 1.231 -1.768 -2.140 139 1HG1 ILE 20 2HG1 ILE 20 0.757 -4.069 -2.488 140 2HG1 ILE 20 1HG1 ILE 20 -0.790 -3.256 -2.270 141 1HG2 ILE 20 1HG2 ILE 20 -0.434 -0.878 -4.445 142 2HG2 ILE 20 2HG2 ILE 20 0.135 0.038 -3.050 143 3HG2 ILE 20 3HG2 ILE 20 -1.181 -1.121 -2.867 144 1HD1 ILE 20 1HD1 ILE 20 -0.183 -3.263 -5.043 145 2HD1 ILE 20 2HD1 ILE 20 -1.502 -4.066 -4.195 146 3HD1 ILE 20 3HD1 ILE 20 0.039 -4.893 -4.411 147 H SER 21 H SER 21 2.134 0.312 -4.976 148 HA SER 21 HA SER 21 4.796 0.699 -3.884 149 1HB SER 21 2HB SER 21 3.337 3.033 -4.984 150 2HB SER 21 1HB SER 21 4.979 2.481 -5.305 151 HG SER 21 HG SER 21 4.122 1.864 -7.131 152 H CYS 22 H CYS 22 5.239 1.737 -1.997 153 HA CYS 22 HA CYS 22 2.926 2.635 -0.446 154 1HB CYS 22 2HB CYS 22 4.696 0.909 0.372 155 2HB CYS 22 1HB CYS 22 5.678 2.332 0.704 156 H LYS 23 H LYS 23 2.560 4.662 0.075 157 HA LYS 23 HA LYS 23 4.481 6.725 -0.719 158 1HB LYS 23 2HB LYS 23 2.661 8.263 -0.678 159 2HB LYS 23 1HB LYS 23 2.075 6.816 -1.480 160 1HG LYS 23 2HG LYS 23 1.281 6.222 0.982 161 2HG LYS 23 1HG LYS 23 1.313 7.980 1.139 162 1HD LYS 23 2HD LYS 23 -0.049 6.656 -1.181 163 2HD LYS 23 1HD LYS 23 -0.873 6.851 0.368 164 1HE LYS 23 2HE LYS 23 0.369 9.322 -0.338 165 2HE LYS 23 1HE LYS 23 -0.563 8.743 -1.718 166 1HZ LYS 23 1HZ LYS 23 -2.204 9.808 -0.615 167 2HZ LYS 23 2HZ LYS 23 -1.480 9.629 0.903 168 3HZ LYS 23 3HZ LYS 23 -2.322 8.336 0.211 169 H ASN 24 H ASN 24 3.398 8.682 1.115 170 HA ASN 24 HA ASN 24 5.149 8.501 3.226 171 1HB ASN 24 2HB ASN 24 2.621 10.116 2.914 172 2HB ASN 24 1HB ASN 24 3.706 10.301 4.287 173 1HD2 ASN 24 1HD2 ASN 24 2.988 12.259 2.297 174 2HD2 ASN 24 2HD2 ASN 24 4.456 12.742 1.525 175 H GLY 25 H GLY 25 4.533 6.150 3.634 176 1HA GLY 25 2HA GLY 25 3.999 4.694 5.348 177 2HA GLY 25 1HA GLY 25 3.174 6.007 6.169 178 H TYR 26 H TYR 26 2.241 5.463 2.875 179 HA TYR 26 HA TYR 26 0.044 3.719 3.690 180 1HB TYR 26 2HB TYR 26 -0.345 6.492 2.572 181 2HB TYR 26 1HB TYR 26 -1.609 5.265 2.545 182 HD1 TYR 26 1HD TYR 26 -1.987 4.089 4.917 183 HD2 TYR 26 2HD TYR 26 -0.361 7.978 4.339 184 HE1 TYR 26 1HE TYR 26 -2.633 4.691 7.206 185 HE2 TYR 26 2HE TYR 26 -1.010 8.594 6.628 186 HH TYR 26 HH TYR 26 -1.443 7.226 8.853 187 H CYS 27 H CYS 27 -1.531 3.606 1.585 188 HA CYS 27 HA CYS 27 0.135 2.349 -0.418 189 1HB CYS 27 2HB CYS 27 -2.504 1.992 0.588 190 2HB CYS 27 1HB CYS 27 -2.626 2.308 -1.136 191 H GLN 28 H GLN 28 0.412 2.964 -2.491 192 HA GLN 28 HA GLN 28 -0.383 5.672 -3.212 193 1HB GLN 28 2HB GLN 28 1.690 3.744 -4.084 194 2HB GLN 28 1HB GLN 28 1.050 4.797 -5.331 195 1HG GLN 28 2HG GLN 28 1.554 6.713 -3.720 196 2HG GLN 28 1HG GLN 28 2.524 5.535 -2.834 197 1HE2 GLN 28 1HE2 GLN 28 4.432 4.786 -3.720 198 2HE2 GLN 28 2HE2 GLN 28 5.167 5.513 -5.105 199 H GLY 29 H GLY 29 -0.667 2.356 -4.449 200 1HA GLY 29 2HA GLY 29 -3.250 2.457 -5.362 201 2HA GLY 29 1HA GLY 29 -2.282 3.072 -6.698 202 H CYS 30 H CYS 30 -3.394 0.302 -5.076 203 HA CYS 30 HA CYS 30 -1.379 -1.494 -6.064 204 1HB CYS 30 2HB CYS 30 -2.909 -3.260 -5.129 205 2HB CYS 30 1HB CYS 30 -2.379 -2.050 -3.972 206 H THR 31 H THR 31 -4.063 -3.294 -6.529 207 HA THR 31 HA THR 31 -3.967 -2.873 -9.421 208 HB THR 31 HB THR 31 -4.672 -5.123 -9.682 209 HG1 THR 31 1HG THR 31 -5.682 -6.270 -8.163 210 1HG2 THR 31 1HG2 THR 31 -2.844 -5.041 -7.293 211 2HG2 THR 31 2HG2 THR 31 -2.371 -5.080 -8.992 212 3HG2 THR 31 3HG2 THR 31 -3.175 -6.472 -8.269 Start of MODEL 11 1 1H THR 1 1HT THR 1 -10.192 0.006 -2.450 2 2H THR 1 2HT THR 1 -9.448 0.161 -0.911 3 3H THR 1 3HT THR 1 -8.658 -0.703 -2.166 4 HA THR 1 HA THR 1 -8.314 1.219 -3.413 5 HB THR 1 HB THR 1 -9.085 3.438 -2.381 6 HG1 THR 1 1HG THR 1 -11.094 1.942 -1.117 7 1HG2 THR 1 1HG2 THR 1 -11.382 1.702 -3.219 8 2HG2 THR 1 2HG2 THR 1 -10.170 2.292 -4.357 9 3HG2 THR 1 3HG2 THR 1 -11.165 3.436 -3.456 10 HA PRO 2 HA PRO 2 -4.800 1.999 -0.805 11 1HB PRO 2 2HB PRO 2 -3.584 3.989 -2.113 12 2HB PRO 2 1HB PRO 2 -3.769 2.396 -2.852 13 1HG PRO 2 2HG PRO 2 -5.353 4.892 -3.304 14 2HG PRO 2 1HG PRO 2 -4.771 3.706 -4.486 15 1HD PRO 2 2HD PRO 2 -7.337 3.782 -3.468 16 2HD PRO 2 1HD PRO 2 -6.572 2.341 -4.167 17 H TYR 3 H TYR 3 -7.246 3.319 0.128 18 HA TYR 3 HA TYR 3 -6.327 5.931 1.028 19 1HB TYR 3 2HB TYR 3 -8.734 5.353 0.244 20 2HB TYR 3 1HB TYR 3 -8.916 4.639 1.839 21 HD1 TYR 3 1HD TYR 3 -8.374 7.793 0.010 22 HD2 TYR 3 2HD TYR 3 -9.142 6.008 3.796 23 HE1 TYR 3 1HE TYR 3 -8.932 10.002 0.933 24 HE2 TYR 3 2HE TYR 3 -9.702 8.211 4.728 25 HH TYR 3 HH TYR 3 -9.133 10.650 4.183 26 HA PRO 4 HA PRO 4 -6.407 3.637 5.157 27 1HB PRO 4 2HB PRO 4 -7.777 1.369 5.499 28 2HB PRO 4 1HB PRO 4 -8.601 2.922 5.342 29 1HG PRO 4 2HG PRO 4 -8.417 0.689 3.420 30 2HG PRO 4 1HG PRO 4 -9.647 1.954 3.560 31 1HD PRO 4 2HD PRO 4 -7.385 1.845 1.779 32 2HD PRO 4 1HD PRO 4 -8.647 3.084 1.877 33 H VAL 5 H VAL 5 -5.033 2.318 2.502 34 HA VAL 5 HA VAL 5 -3.865 0.014 3.896 35 HB VAL 5 HB VAL 5 -2.866 0.418 1.200 36 1HG1 VAL 5 1HG1 VAL 5 -2.532 -1.685 2.076 37 2HG1 VAL 5 2HG1 VAL 5 -3.941 -1.943 1.047 38 3HG1 VAL 5 3HG1 VAL 5 -4.143 -1.762 2.789 39 1HG2 VAL 5 1HG2 VAL 5 -5.097 1.463 0.885 40 2HG2 VAL 5 2HG2 VAL 5 -5.842 -0.025 1.464 41 3HG2 VAL 5 3HG2 VAL 5 -4.905 -0.034 -0.028 42 H ASN 6 H ASN 6 -2.319 0.702 5.217 43 HA ASN 6 HA ASN 6 -0.423 2.741 4.364 44 1HB ASN 6 2HB ASN 6 0.492 2.476 6.700 45 2HB ASN 6 1HB ASN 6 -1.178 3.020 6.611 46 1HD2 ASN 6 1HD2 ASN 6 -2.817 1.677 7.338 47 2HD2 ASN 6 2HD2 ASN 6 -2.505 0.242 8.248 48 H CYS 7 H CYS 7 1.923 2.373 4.805 49 HA CYS 7 HA CYS 7 3.029 -0.206 5.008 50 1HB CYS 7 2HB CYS 7 3.885 -0.406 2.626 51 2HB CYS 7 1HB CYS 7 2.182 -0.770 2.859 52 H LYS 8 H LYS 8 5.324 -0.307 4.455 53 HA LYS 8 HA LYS 8 6.621 2.327 4.686 54 1HB LYS 8 2HB LYS 8 7.772 -0.330 5.561 55 2HB LYS 8 1HB LYS 8 8.410 1.270 5.902 56 1HG LYS 8 2HG LYS 8 7.416 0.755 7.900 57 2HG LYS 8 1HG LYS 8 6.110 1.625 7.091 58 1HD LYS 8 2HD LYS 8 4.978 -0.381 6.555 59 2HD LYS 8 1HD LYS 8 6.381 -1.369 6.959 60 1HE LYS 8 2HE LYS 8 6.109 -0.980 9.274 61 2HE LYS 8 1HE LYS 8 4.958 0.327 8.993 62 1HZ LYS 8 1HZ LYS 8 4.216 -2.129 9.630 63 2HZ LYS 8 2HZ LYS 8 4.232 -2.297 7.947 64 3HZ LYS 8 3HZ LYS 8 3.264 -1.112 8.670 65 H THR 9 H THR 9 6.530 -0.745 3.017 66 HA THR 9 HA THR 9 8.317 0.322 0.951 67 HB THR 9 HB THR 9 8.694 -2.426 0.790 68 HG1 THR 9 1HG THR 9 7.982 -2.936 2.781 69 1HG2 THR 9 1HG2 THR 9 10.636 -1.334 0.443 70 2HG2 THR 9 2HG2 THR 9 10.896 -1.764 2.133 71 3HG2 THR 9 3HG2 THR 9 10.329 -0.148 1.710 72 H ASP 10 H ASP 10 8.118 -1.392 -1.042 73 HA ASP 10 HA ASP 10 5.572 -0.998 -2.118 74 1HB ASP 10 2HB ASP 10 7.930 -2.658 -2.905 75 2HB ASP 10 1HB ASP 10 6.406 -2.900 -3.750 76 H ARG 11 H ARG 11 6.990 -4.168 -1.235 77 HA ARG 11 HA ARG 11 4.522 -5.557 -1.463 78 1HB ARG 11 2HB ARG 11 5.717 -7.440 -0.424 79 2HB ARG 11 1HB ARG 11 6.614 -6.725 -1.753 80 1HG ARG 11 2HG ARG 11 8.304 -6.947 -0.264 81 2HG ARG 11 1HG ARG 11 7.724 -5.356 0.232 82 1HD ARG 11 2HD ARG 11 7.191 -6.114 2.255 83 2HD ARG 11 1HD ARG 11 6.233 -7.423 1.566 84 HE ARG 11 HE ARG 11 8.844 -8.232 1.316 85 1HH1 ARG 11 1HH1 ARG 11 6.763 -7.302 3.972 86 2HH1 ARG 11 2HH1 ARG 11 7.571 -8.311 5.122 87 1HH2 ARG 11 1HH2 ARG 11 9.908 -9.563 2.834 88 2HH2 ARG 11 2HH2 ARG 11 9.359 -9.595 4.476 89 H ASP 12 H ASP 12 5.344 -3.375 0.869 90 HA ASP 12 HA ASP 12 4.406 -4.764 3.196 91 1HB ASP 12 2HB ASP 12 5.469 -2.116 2.583 92 2HB ASP 12 1HB ASP 12 4.154 -2.060 3.749 93 H CYS 13 H CYS 13 3.050 -2.766 0.696 94 HA CYS 13 HA CYS 13 0.475 -2.595 2.022 95 1HB CYS 13 2HB CYS 13 1.792 -0.962 0.240 96 2HB CYS 13 1HB CYS 13 0.625 -1.781 -0.791 97 H VAL 14 H VAL 14 1.730 -5.210 1.113 98 HA VAL 14 HA VAL 14 0.551 -6.272 -1.137 99 HB VAL 14 HB VAL 14 2.226 -7.336 0.531 100 1HG1 VAL 14 1HG1 VAL 14 -0.337 -8.472 1.637 101 2HG1 VAL 14 2HG1 VAL 14 0.691 -7.299 2.461 102 3HG1 VAL 14 3HG1 VAL 14 1.306 -8.912 2.104 103 1HG2 VAL 14 1HG2 VAL 14 0.154 -8.709 -1.116 104 2HG2 VAL 14 2HG2 VAL 14 1.303 -9.671 -0.186 105 3HG2 VAL 14 3HG2 VAL 14 1.885 -8.529 -1.400 106 H MET 15 H MET 15 -0.930 -5.525 1.940 107 HA MET 15 HA MET 15 -3.222 -7.111 1.849 108 1HB MET 15 2HB MET 15 -2.601 -4.430 3.037 109 2HB MET 15 1HB MET 15 -4.261 -5.006 3.041 110 1HG MET 15 2HG MET 15 -2.081 -6.758 4.076 111 2HG MET 15 1HG MET 15 -2.715 -5.453 5.076 112 1HE MET 15 1HE MET 15 -5.992 -5.569 5.300 113 2HE MET 15 2HE MET 15 -4.528 -5.346 6.257 114 3HE MET 15 3HE MET 15 -5.651 -6.648 6.653 115 H CYS 16 H CYS 16 -2.314 -4.335 -0.034 116 HA CYS 16 HA CYS 16 -4.978 -3.840 -1.045 117 1HB CYS 16 2HB CYS 16 -3.040 -2.124 -0.705 118 2HB CYS 16 1HB CYS 16 -2.457 -2.723 -2.254 119 H GLY 17 H GLY 17 -1.911 -5.209 -2.283 120 1HA GLY 17 2HA GLY 17 -3.283 -7.041 -3.976 121 2HA GLY 17 1HA GLY 17 -2.687 -5.682 -4.913 122 H LEU 18 H LEU 18 -1.547 -7.542 -5.959 123 HA LEU 18 HA LEU 18 0.777 -8.534 -4.536 124 1HB LEU 18 2HB LEU 18 -0.417 -9.173 -7.222 125 2HB LEU 18 1HB LEU 18 1.155 -9.775 -6.731 126 HG LEU 18 HG LEU 18 -1.035 -10.288 -4.821 127 1HD1 LEU 18 1HD1 LEU 18 -0.946 -12.090 -7.186 128 2HD1 LEU 18 2HD1 LEU 18 -1.885 -10.601 -7.290 129 3HD1 LEU 18 3HD1 LEU 18 -2.252 -11.789 -6.041 130 1HD2 LEU 18 1HD2 LEU 18 1.419 -11.618 -5.848 131 2HD2 LEU 18 2HD2 LEU 18 0.148 -12.624 -5.154 132 3HD2 LEU 18 3HD2 LEU 18 0.888 -11.348 -4.189 133 H GLY 19 H GLY 19 1.857 -6.557 -4.341 134 1HA GLY 19 2HA GLY 19 3.887 -5.531 -5.112 135 2HA GLY 19 1HA GLY 19 3.346 -5.790 -6.766 136 H ILE 20 H ILE 20 2.828 -3.883 -3.850 137 HA ILE 20 HA ILE 20 1.360 -1.893 -5.442 138 HB ILE 20 HB ILE 20 1.430 -1.763 -2.475 139 1HG1 ILE 20 2HG1 ILE 20 1.032 -4.092 -2.698 140 2HG1 ILE 20 1HG1 ILE 20 -0.528 -3.334 -2.389 141 1HG2 ILE 20 1HG2 ILE 20 -0.434 -1.010 -4.668 142 2HG2 ILE 20 2HG2 ILE 20 0.175 -0.043 -3.327 143 3HG2 ILE 20 3HG2 ILE 20 -1.068 -1.261 -3.043 144 1HD1 ILE 20 1HD1 ILE 20 0.212 -5.018 -4.531 145 2HD1 ILE 20 2HD1 ILE 20 -0.148 -3.427 -5.198 146 3HD1 ILE 20 3HD1 ILE 20 -1.348 -4.261 -4.216 147 H SER 21 H SER 21 1.852 0.286 -5.299 148 HA SER 21 HA SER 21 4.605 0.884 -4.560 149 1HB SER 21 2HB SER 21 3.587 3.252 -5.476 150 2HB SER 21 1HB SER 21 4.336 2.036 -6.509 151 HG SER 21 HG SER 21 1.570 2.430 -6.012 152 H CYS 22 H CYS 22 5.161 2.061 -2.780 153 HA CYS 22 HA CYS 22 2.950 2.860 -1.025 154 1HB CYS 22 2HB CYS 22 4.849 1.211 -0.335 155 2HB CYS 22 1HB CYS 22 5.802 2.675 -0.118 156 H LYS 23 H LYS 23 2.537 4.897 -0.572 157 HA LYS 23 HA LYS 23 4.348 6.995 -1.522 158 1HB LYS 23 2HB LYS 23 2.485 8.476 -1.424 159 2HB LYS 23 1HB LYS 23 1.886 6.986 -2.133 160 1HG LYS 23 2HG LYS 23 1.156 6.379 0.256 161 2HG LYS 23 1HG LYS 23 1.391 8.092 0.607 162 1HD LYS 23 2HD LYS 23 -0.069 8.374 -1.576 163 2HD LYS 23 1HD LYS 23 -0.621 6.761 -1.130 164 1HE LYS 23 2HE LYS 23 -1.690 7.493 0.741 165 2HE LYS 23 1HE LYS 23 -0.546 8.807 1.016 166 1HZ LYS 23 1HZ LYS 23 -1.578 10.082 -0.707 167 2HZ LYS 23 2HZ LYS 23 -2.789 9.558 0.353 168 3HZ LYS 23 3HZ LYS 23 -2.586 8.794 -1.143 169 H ASN 24 H ASN 24 3.314 8.959 0.334 170 HA ASN 24 HA ASN 24 5.178 8.877 2.354 171 1HB ASN 24 2HB ASN 24 3.522 10.782 1.424 172 2HB ASN 24 1HB ASN 24 2.691 10.384 2.923 173 1HD2 ASN 24 1HD2 ASN 24 4.346 10.138 4.829 174 2HD2 ASN 24 2HD2 ASN 24 5.467 11.443 4.971 175 H GLY 25 H GLY 25 4.643 6.520 2.853 176 1HA GLY 25 2HA GLY 25 4.263 5.118 4.656 177 2HA GLY 25 1HA GLY 25 3.427 6.430 5.468 178 H TYR 26 H TYR 26 2.347 5.749 2.250 179 HA TYR 26 HA TYR 26 0.263 3.949 3.233 180 1HB TYR 26 2HB TYR 26 -0.280 6.663 2.038 181 2HB TYR 26 1HB TYR 26 -1.497 5.391 2.099 182 HD1 TYR 26 1HD TYR 26 -1.626 4.253 4.559 183 HD2 TYR 26 2HD TYR 26 -0.393 8.236 3.718 184 HE1 TYR 26 1HE TYR 26 -2.199 4.904 6.854 185 HE2 TYR 26 2HE TYR 26 -0.971 8.904 6.012 186 HH TYR 26 HH TYR 26 -2.838 7.036 8.065 187 H CYS 27 H CYS 27 -1.394 3.654 1.228 188 HA CYS 27 HA CYS 27 0.235 2.411 -0.812 189 1HB CYS 27 2HB CYS 27 -2.326 1.953 0.336 190 2HB CYS 27 1HB CYS 27 -2.556 2.208 -1.387 191 H GLN 28 H GLN 28 0.384 2.955 -2.913 192 HA GLN 28 HA GLN 28 -0.588 5.589 -3.698 193 1HB GLN 28 2HB GLN 28 1.575 3.772 -4.548 194 2HB GLN 28 1HB GLN 28 0.804 4.663 -5.848 195 1HG GLN 28 2HG GLN 28 1.211 6.742 -4.425 196 2HG GLN 28 1HG GLN 28 2.299 5.724 -3.481 197 1HE2 GLN 28 1HE2 GLN 28 4.318 5.399 -4.207 198 2HE2 GLN 28 2HE2 GLN 28 4.912 5.920 -5.742 199 H GLY 29 H GLY 29 -0.863 2.191 -4.660 200 1HA GLY 29 2HA GLY 29 -3.439 2.139 -5.501 201 2HA GLY 29 1HA GLY 29 -2.576 2.749 -6.907 202 H CYS 30 H CYS 30 -3.509 -0.015 -5.196 203 HA CYS 30 HA CYS 30 -1.434 -1.743 -6.209 204 1HB CYS 30 2HB CYS 30 -2.829 -3.554 -5.145 205 2HB CYS 30 1HB CYS 30 -2.291 -2.286 -4.054 206 H THR 31 H THR 31 -4.043 -3.688 -6.480 207 HA THR 31 HA THR 31 -4.086 -3.407 -9.387 208 HB THR 31 HB THR 31 -4.768 -5.682 -9.499 209 HG1 THR 31 1HG THR 31 -5.431 -5.381 -6.772 210 1HG2 THR 31 1HG2 THR 31 -2.442 -5.585 -8.929 211 2HG2 THR 31 2HG2 THR 31 -3.189 -6.930 -8.066 212 3HG2 THR 31 3HG2 THR 31 -2.825 -5.430 -7.215 Start of MODEL 12 1 1H THR 1 1HT THR 1 -8.961 2.640 -3.819 2 2H THR 1 2HT THR 1 -9.024 3.271 -2.224 3 3H THR 1 3HT THR 1 -10.317 2.316 -2.823 4 HA THR 1 HA THR 1 -9.339 0.714 -1.720 5 HB THR 1 HB THR 1 -7.137 0.209 -3.475 6 HG1 THR 1 1HG THR 1 -9.432 0.698 -5.010 7 1HG2 THR 1 1HG2 THR 1 -8.140 -1.769 -3.797 8 2HG2 THR 1 2HG2 THR 1 -9.719 -1.047 -4.100 9 3HG2 THR 1 3HG2 THR 1 -9.146 -1.254 -2.445 10 HA PRO 2 HA PRO 2 -4.842 1.885 -0.634 11 1HB PRO 2 2HB PRO 2 -3.471 3.708 -2.027 12 2HB PRO 2 1HB PRO 2 -3.706 2.073 -2.656 13 1HG PRO 2 2HG PRO 2 -5.135 4.602 -3.366 14 2HG PRO 2 1HG PRO 2 -4.570 3.300 -4.428 15 1HD PRO 2 2HD PRO 2 -7.168 3.590 -3.523 16 2HD PRO 2 1HD PRO 2 -6.462 2.069 -4.100 17 H TYR 3 H TYR 3 -7.178 3.257 0.224 18 HA TYR 3 HA TYR 3 -6.246 5.939 0.910 19 1HB TYR 3 2HB TYR 3 -8.843 4.672 0.587 20 2HB TYR 3 1HB TYR 3 -8.728 5.522 2.124 21 HD1 TYR 3 1HD TYR 3 -8.815 5.883 -1.514 22 HD2 TYR 3 2HD TYR 3 -8.421 7.948 2.186 23 HE1 TYR 3 1HE TYR 3 -9.244 8.012 -2.663 24 HE2 TYR 3 2HE TYR 3 -8.852 10.083 1.046 25 HH TYR 3 HH TYR 3 -8.606 10.552 -2.140 26 HA PRO 4 HA PRO 4 -6.529 3.957 5.189 27 1HB PRO 4 2HB PRO 4 -8.014 1.812 5.680 28 2HB PRO 4 1HB PRO 4 -8.774 3.367 5.324 29 1HG PRO 4 2HG PRO 4 -8.486 0.962 3.601 30 2HG PRO 4 1HG PRO 4 -9.788 2.161 3.649 31 1HD PRO 4 2HD PRO 4 -7.596 2.067 1.841 32 2HD PRO 4 1HD PRO 4 -8.805 3.355 1.997 33 H VAL 5 H VAL 5 -5.181 2.366 2.654 34 HA VAL 5 HA VAL 5 -4.187 0.095 4.206 35 HB VAL 5 HB VAL 5 -3.038 0.403 1.536 36 1HG1 VAL 5 1HG1 VAL 5 -4.304 -1.721 3.195 37 2HG1 VAL 5 2HG1 VAL 5 -2.713 -1.675 2.437 38 3HG1 VAL 5 3HG1 VAL 5 -4.148 -1.973 1.456 39 1HG2 VAL 5 1HG2 VAL 5 -6.025 -0.009 1.744 40 2HG2 VAL 5 2HG2 VAL 5 -5.055 -0.144 0.278 41 3HG2 VAL 5 3HG2 VAL 5 -5.237 1.418 1.076 42 H ASN 6 H ASN 6 -2.663 0.711 5.575 43 HA ASN 6 HA ASN 6 -0.645 2.658 4.798 44 1HB ASN 6 2HB ASN 6 0.156 2.358 7.175 45 2HB ASN 6 1HB ASN 6 -1.475 2.990 7.005 46 1HD2 ASN 6 1HD2 ASN 6 -1.518 2.253 9.289 47 2HD2 ASN 6 2HD2 ASN 6 -1.991 0.621 9.599 48 H CYS 7 H CYS 7 1.663 2.194 5.355 49 HA CYS 7 HA CYS 7 2.667 -0.419 5.608 50 1HB CYS 7 2HB CYS 7 3.594 -0.674 3.258 51 2HB CYS 7 1HB CYS 7 1.868 -0.959 3.424 52 H LYS 8 H LYS 8 5.005 -0.557 4.790 53 HA LYS 8 HA LYS 8 6.358 2.027 5.192 54 1HB LYS 8 2HB LYS 8 7.551 -0.636 5.954 55 2HB LYS 8 1HB LYS 8 8.067 0.970 6.448 56 1HG LYS 8 2HG LYS 8 5.539 -0.426 7.307 57 2HG LYS 8 1HG LYS 8 6.993 -0.201 8.280 58 1HD LYS 8 2HD LYS 8 6.485 1.941 8.767 59 2HD LYS 8 1HD LYS 8 5.884 2.271 7.142 60 1HE LYS 8 2HE LYS 8 3.750 1.757 7.682 61 2HE LYS 8 1HE LYS 8 4.229 0.456 8.770 62 1HZ LYS 8 1HZ LYS 8 5.016 2.384 10.269 63 2HZ LYS 8 2HZ LYS 8 3.365 2.025 10.198 64 3HZ LYS 8 3HZ LYS 8 3.982 3.337 9.327 65 H THR 9 H THR 9 6.641 -1.227 3.782 66 HA THR 9 HA THR 9 8.339 -0.114 1.649 67 HB THR 9 HB THR 9 9.438 -2.177 1.430 68 HG1 THR 9 1HG THR 9 7.448 -3.392 3.050 69 1HG2 THR 9 1HG2 THR 9 10.327 -1.310 3.407 70 2HG2 THR 9 2HG2 THR 9 9.960 -2.994 3.777 71 3HG2 THR 9 3HG2 THR 9 8.885 -1.714 4.339 72 H ASP 10 H ASP 10 8.117 -1.885 -0.331 73 HA ASP 10 HA ASP 10 5.651 -1.311 -1.517 74 1HB ASP 10 2HB ASP 10 7.942 -3.093 -2.189 75 2HB ASP 10 1HB ASP 10 6.432 -3.335 -3.063 76 H ARG 11 H ARG 11 6.809 -4.551 -0.530 77 HA ARG 11 HA ARG 11 4.234 -5.731 -0.816 78 1HB ARG 11 2HB ARG 11 6.874 -6.649 0.237 79 2HB ARG 11 1HB ARG 11 5.440 -7.617 0.554 80 1HG ARG 11 2HG ARG 11 5.309 -8.347 -1.558 81 2HG ARG 11 1HG ARG 11 5.733 -6.774 -2.235 82 1HD ARG 11 2HD ARG 11 8.091 -7.497 -1.120 83 2HD ARG 11 1HD ARG 11 7.441 -9.075 -1.562 84 HE ARG 11 HE ARG 11 7.728 -8.550 -3.776 85 1HH1 ARG 11 1HH1 ARG 11 8.087 -5.638 -1.869 86 2HH1 ARG 11 2HH1 ARG 11 8.674 -4.693 -3.193 87 1HH2 ARG 11 1HH2 ARG 11 8.503 -7.300 -5.523 88 2HH2 ARG 11 2HH2 ARG 11 8.910 -5.635 -5.271 89 H ASP 12 H ASP 12 5.069 -3.571 1.483 90 HA ASP 12 HA ASP 12 4.073 -4.921 3.821 91 1HB ASP 12 2HB ASP 12 5.183 -2.279 3.193 92 2HB ASP 12 1HB ASP 12 3.881 -2.232 4.376 93 H CYS 13 H CYS 13 2.837 -2.992 1.222 94 HA CYS 13 HA CYS 13 0.227 -2.714 2.476 95 1HB CYS 13 2HB CYS 13 1.646 -1.120 0.738 96 2HB CYS 13 1HB CYS 13 0.498 -1.916 -0.333 97 H VAL 14 H VAL 14 1.460 -5.357 1.606 98 HA VAL 14 HA VAL 14 0.337 -6.394 -0.683 99 HB VAL 14 HB VAL 14 1.920 -7.501 1.041 100 1HG1 VAL 14 1HG1 VAL 14 -0.712 -8.546 2.077 101 2HG1 VAL 14 2HG1 VAL 14 0.329 -7.403 2.926 102 3HG1 VAL 14 3HG1 VAL 14 0.900 -9.039 2.595 103 1HG2 VAL 14 1HG2 VAL 14 0.958 -9.810 0.316 104 2HG2 VAL 14 2HG2 VAL 14 1.586 -8.693 -0.897 105 3HG2 VAL 14 3HG2 VAL 14 -0.154 -8.832 -0.642 106 H MET 15 H MET 15 -1.237 -5.594 2.326 107 HA MET 15 HA MET 15 -3.563 -7.127 2.145 108 1HB MET 15 2HB MET 15 -3.272 -4.310 3.216 109 2HB MET 15 1HB MET 15 -4.614 -5.395 3.547 110 1HG MET 15 2HG MET 15 -3.304 -6.804 4.870 111 2HG MET 15 1HG MET 15 -1.798 -6.144 4.237 112 1HE MET 15 1HE MET 15 -0.979 -5.031 7.498 113 2HE MET 15 2HE MET 15 -1.282 -6.507 6.582 114 3HE MET 15 3HE MET 15 -2.375 -6.037 7.883 115 H CYS 16 H CYS 16 -2.519 -4.357 0.322 116 HA CYS 16 HA CYS 16 -5.139 -3.764 -0.749 117 1HB CYS 16 2HB CYS 16 -3.164 -2.112 -0.342 118 2HB CYS 16 1HB CYS 16 -2.547 -2.719 -1.874 119 H GLY 17 H GLY 17 -2.092 -5.227 -1.909 120 1HA GLY 17 2HA GLY 17 -3.489 -6.975 -3.676 121 2HA GLY 17 1HA GLY 17 -2.773 -5.642 -4.566 122 H LEU 18 H LEU 18 -1.696 -7.556 -5.578 123 HA LEU 18 HA LEU 18 0.499 -8.686 -4.053 124 1HB LEU 18 2HB LEU 18 0.923 -9.916 -6.268 125 2HB LEU 18 1HB LEU 18 -0.481 -10.360 -5.320 126 HG LEU 18 HG LEU 18 -0.973 -8.302 -7.373 127 1HD1 LEU 18 1HD1 LEU 18 0.704 -10.146 -8.269 128 2HD1 LEU 18 2HD1 LEU 18 -0.619 -9.525 -9.254 129 3HD1 LEU 18 3HD1 LEU 18 -0.790 -11.070 -8.422 130 1HD2 LEU 18 1HD2 LEU 18 -2.856 -9.107 -6.229 131 2HD2 LEU 18 2HD2 LEU 18 -2.329 -10.784 -6.363 132 3HD2 LEU 18 3HD2 LEU 18 -2.899 -9.924 -7.792 133 H GLY 19 H GLY 19 1.652 -6.753 -3.788 134 1HA GLY 19 2HA GLY 19 3.776 -5.838 -4.433 135 2HA GLY 19 1HA GLY 19 3.331 -6.088 -6.117 136 H ILE 20 H ILE 20 2.715 -4.122 -3.258 137 HA ILE 20 HA ILE 20 1.482 -2.069 -4.964 138 HB ILE 20 HB ILE 20 1.359 -1.887 -2.006 139 1HG1 ILE 20 2HG1 ILE 20 0.878 -4.204 -2.210 140 2HG1 ILE 20 1HG1 ILE 20 -0.663 -3.374 -2.006 141 1HG2 ILE 20 1HG2 ILE 20 -0.364 -1.148 -4.328 142 2HG2 ILE 20 2HG2 ILE 20 0.257 -0.134 -3.025 143 3HG2 ILE 20 3HG2 ILE 20 -1.058 -1.267 -2.712 144 1HD1 ILE 20 1HD1 ILE 20 -0.119 -3.545 -4.786 145 2HD1 ILE 20 2HD1 ILE 20 -1.417 -4.296 -3.864 146 3HD1 ILE 20 3HD1 ILE 20 0.117 -5.136 -4.065 147 H SER 21 H SER 21 2.081 0.098 -4.765 148 HA SER 21 HA SER 21 4.816 0.514 -3.830 149 1HB SER 21 2HB SER 21 2.980 2.389 -5.349 150 2HB SER 21 1HB SER 21 4.691 2.656 -5.019 151 HG SER 21 HG SER 21 3.701 1.477 -7.102 152 H CYS 22 H CYS 22 5.282 1.582 -1.978 153 HA CYS 22 HA CYS 22 3.008 2.566 -0.429 154 1HB CYS 22 2HB CYS 22 4.800 0.879 0.422 155 2HB CYS 22 1HB CYS 22 5.783 2.317 0.673 156 H LYS 23 H LYS 23 2.639 4.613 -0.009 157 HA LYS 23 HA LYS 23 4.551 6.643 -0.904 158 1HB LYS 23 2HB LYS 23 2.723 8.182 -0.891 159 2HB LYS 23 1HB LYS 23 2.144 6.707 -1.650 160 1HG LYS 23 2HG LYS 23 1.271 6.106 0.706 161 2HG LYS 23 1HG LYS 23 1.485 7.824 1.046 162 1HD LYS 23 2HD LYS 23 0.099 7.243 -1.474 163 2HD LYS 23 1HD LYS 23 -0.759 6.712 -0.026 164 1HE LYS 23 2HE LYS 23 -1.540 8.845 -0.127 165 2HE LYS 23 1HE LYS 23 -0.074 9.139 0.806 166 1HZ LYS 23 1HZ LYS 23 0.239 10.685 -0.786 167 2HZ LYS 23 2HZ LYS 23 -0.713 9.885 -1.932 168 3HZ LYS 23 3HZ LYS 23 0.878 9.383 -1.659 169 H ASN 24 H ASN 24 3.468 8.664 0.869 170 HA ASN 24 HA ASN 24 5.238 8.578 2.970 171 1HB ASN 24 2HB ASN 24 2.775 10.192 2.434 172 2HB ASN 24 1HB ASN 24 3.586 10.339 3.988 173 1HD2 ASN 24 1HD2 ASN 24 3.290 12.417 2.108 174 2HD2 ASN 24 2HD2 ASN 24 4.866 12.875 1.570 175 H GLY 25 H GLY 25 4.648 6.236 3.472 176 1HA GLY 25 2HA GLY 25 4.138 4.833 5.234 177 2HA GLY 25 1HA GLY 25 3.322 6.170 6.026 178 H TYR 26 H TYR 26 2.348 5.510 2.762 179 HA TYR 26 HA TYR 26 0.161 3.800 3.669 180 1HB TYR 26 2HB TYR 26 -0.244 6.524 2.439 181 2HB TYR 26 1HB TYR 26 -1.507 5.296 2.483 182 HD1 TYR 26 1HD TYR 26 -1.852 4.223 4.903 183 HD2 TYR 26 2HD TYR 26 -0.228 8.082 4.147 184 HE1 TYR 26 1HE TYR 26 -2.461 4.913 7.176 185 HE2 TYR 26 2HE TYR 26 -0.841 8.790 6.421 186 HH TYR 26 HH TYR 26 -2.965 7.118 8.365 187 H CYS 27 H CYS 27 -1.432 3.588 1.589 188 HA CYS 27 HA CYS 27 0.227 2.267 -0.380 189 1HB CYS 27 2HB CYS 27 -2.389 1.909 0.676 190 2HB CYS 27 1HB CYS 27 -2.546 2.163 -1.054 191 H GLN 28 H GLN 28 0.444 2.779 -2.492 192 HA GLN 28 HA GLN 28 -0.377 5.454 -3.308 193 1HB GLN 28 2HB GLN 28 1.695 3.508 -4.136 194 2HB GLN 28 1HB GLN 28 1.018 4.494 -5.419 195 1HG GLN 28 2HG GLN 28 1.536 6.494 -3.932 196 2HG GLN 28 1HG GLN 28 2.513 5.378 -2.978 197 1HE2 GLN 28 1HE2 GLN 28 4.446 4.644 -3.783 198 2HE2 GLN 28 2HE2 GLN 28 5.166 5.266 -5.225 199 H GLY 29 H GLY 29 -0.668 2.086 -4.402 200 1HA GLY 29 2HA GLY 29 -3.270 2.147 -5.269 201 2HA GLY 29 1HA GLY 29 -2.328 2.700 -6.647 202 H CYS 30 H CYS 30 -3.413 0.004 -4.885 203 HA CYS 30 HA CYS 30 -1.417 -1.832 -5.860 204 1HB CYS 30 2HB CYS 30 -2.882 -3.555 -4.763 205 2HB CYS 30 1HB CYS 30 -2.323 -2.278 -3.694 206 H THR 31 H THR 31 -4.082 -3.678 -6.122 207 HA THR 31 HA THR 31 -4.587 -3.020 -8.936 208 HB THR 31 HB THR 31 -3.053 -4.785 -9.160 209 HG1 THR 31 1HG THR 31 -5.296 -5.165 -10.075 210 1HG2 THR 31 1HG2 THR 31 -2.516 -5.938 -7.337 211 2HG2 THR 31 2HG2 THR 31 -3.844 -7.006 -7.785 212 3HG2 THR 31 3HG2 THR 31 -4.109 -5.716 -6.613 Start of MODEL 13 1 1H THR 1 1HT THR 1 -8.064 -0.443 -2.875 2 2H THR 1 2HT THR 1 -7.682 0.712 -4.086 3 3H THR 1 3HT THR 1 -9.295 0.157 -3.908 4 HA THR 1 HA THR 1 -8.938 2.367 -3.015 5 HB THR 1 HB THR 1 -9.771 1.609 -0.615 6 HG1 THR 1 1HG THR 1 -10.380 -0.778 -1.936 7 1HG2 THR 1 1HG2 THR 1 -11.526 2.403 -1.782 8 2HG2 THR 1 2HG2 THR 1 -11.938 0.690 -1.864 9 3HG2 THR 1 3HG2 THR 1 -11.136 1.469 -3.227 10 HA PRO 2 HA PRO 2 -4.878 2.106 -0.826 11 1HB PRO 2 2HB PRO 2 -3.558 3.975 -2.199 12 2HB PRO 2 1HB PRO 2 -3.818 2.368 -2.885 13 1HG PRO 2 2HG PRO 2 -5.258 4.926 -3.448 14 2HG PRO 2 1HG PRO 2 -4.746 3.657 -4.575 15 1HD PRO 2 2HD PRO 2 -7.307 3.936 -3.537 16 2HD PRO 2 1HD PRO 2 -6.644 2.446 -4.235 17 H TYR 3 H TYR 3 -7.199 3.425 0.140 18 HA TYR 3 HA TYR 3 -6.249 6.079 0.918 19 1HB TYR 3 2HB TYR 3 -8.810 4.997 0.372 20 2HB TYR 3 1HB TYR 3 -8.782 5.395 2.084 21 HD1 TYR 3 1HD TYR 3 -7.389 7.036 -0.988 22 HD2 TYR 3 2HD TYR 3 -9.812 7.417 2.490 23 HE1 TYR 3 1HE TYR 3 -7.785 9.402 -1.529 24 HE2 TYR 3 2HE TYR 3 -10.215 9.781 1.957 25 HH TYR 3 HH TYR 3 -10.193 11.233 -0.137 26 HA PRO 4 HA PRO 4 -6.522 3.935 5.119 27 1HB PRO 4 2HB PRO 4 -7.978 1.750 5.530 28 2HB PRO 4 1HB PRO 4 -8.754 3.314 5.253 29 1HG PRO 4 2HG PRO 4 -8.468 0.992 3.419 30 2HG PRO 4 1HG PRO 4 -9.778 2.177 3.538 31 1HD PRO 4 2HD PRO 4 -7.614 2.183 1.698 32 2HD PRO 4 1HD PRO 4 -8.824 3.458 1.934 33 H VAL 5 H VAL 5 -5.199 2.422 2.499 34 HA VAL 5 HA VAL 5 -4.126 0.148 4.002 35 HB VAL 5 HB VAL 5 -3.005 0.397 1.344 36 1HG1 VAL 5 1HG1 VAL 5 -4.879 -1.782 1.871 37 2HG1 VAL 5 2HG1 VAL 5 -3.636 -1.590 3.107 38 3HG1 VAL 5 3HG1 VAL 5 -3.174 -1.829 1.423 39 1HG2 VAL 5 1HG2 VAL 5 -5.025 0.036 0.033 40 2HG2 VAL 5 2HG2 VAL 5 -5.096 1.602 0.842 41 3HG2 VAL 5 3HG2 VAL 5 -6.020 0.240 1.475 42 H ASN 6 H ASN 6 -2.579 0.811 5.347 43 HA ASN 6 HA ASN 6 -0.615 2.785 4.495 44 1HB ASN 6 2HB ASN 6 0.251 2.521 6.859 45 2HB ASN 6 1HB ASN 6 -1.386 3.141 6.712 46 1HD2 ASN 6 1HD2 ASN 6 -1.980 2.505 8.766 47 2HD2 ASN 6 2HD2 ASN 6 -2.204 0.850 9.204 48 H CYS 7 H CYS 7 1.721 2.370 5.002 49 HA CYS 7 HA CYS 7 2.780 -0.221 5.258 50 1HB CYS 7 2HB CYS 7 3.645 -0.516 2.901 51 2HB CYS 7 1HB CYS 7 1.923 -0.797 3.101 52 H LYS 8 H LYS 8 5.095 -0.358 4.511 53 HA LYS 8 HA LYS 8 6.424 2.256 4.789 54 1HB LYS 8 2HB LYS 8 7.717 -0.345 5.580 55 2HB LYS 8 1HB LYS 8 8.118 1.287 6.097 56 1HG LYS 8 2HG LYS 8 6.318 1.389 7.584 57 2HG LYS 8 1HG LYS 8 5.499 0.022 6.826 58 1HD LYS 8 2HD LYS 8 7.008 -1.531 7.749 59 2HD LYS 8 1HD LYS 8 8.164 -0.270 8.185 60 1HE LYS 8 2HE LYS 8 6.195 0.623 9.653 61 2HE LYS 8 1HE LYS 8 5.589 -1.025 9.502 62 1HZ LYS 8 1HZ LYS 8 6.891 -0.858 11.480 63 2HZ LYS 8 2HZ LYS 8 8.199 -0.188 10.643 64 3HZ LYS 8 3HZ LYS 8 7.757 -1.798 10.371 65 H THR 9 H THR 9 6.572 -0.972 3.334 66 HA THR 9 HA THR 9 8.281 0.110 1.193 67 HB THR 9 HB THR 9 8.740 -2.501 0.897 68 HG1 THR 9 1HG THR 9 8.365 -2.282 3.700 69 1HG2 THR 9 1HG2 THR 9 10.676 -2.282 2.537 70 2HG2 THR 9 2HG2 THR 9 10.101 -0.634 2.798 71 3HG2 THR 9 3HG2 THR 9 10.605 -1.148 1.188 72 H ASP 10 H ASP 10 8.030 -1.613 -0.801 73 HA ASP 10 HA ASP 10 5.496 -1.112 -1.887 74 1HB ASP 10 2HB ASP 10 7.814 -2.819 -2.685 75 2HB ASP 10 1HB ASP 10 6.282 -3.038 -3.524 76 H ARG 11 H ARG 11 6.846 -4.275 -0.913 77 HA ARG 11 HA ARG 11 4.375 -5.658 -1.188 78 1HB ARG 11 2HB ARG 11 5.602 -7.464 0.122 79 2HB ARG 11 1HB ARG 11 6.295 -6.978 -1.417 80 1HG ARG 11 2HG ARG 11 8.205 -6.382 -0.456 81 2HG ARG 11 1HG ARG 11 7.373 -5.415 0.761 82 1HD ARG 11 2HD ARG 11 6.913 -7.487 2.034 83 2HD ARG 11 1HD ARG 11 7.851 -8.391 0.846 84 HE ARG 11 HE ARG 11 8.862 -6.758 2.974 85 1HH1 ARG 11 1HH1 ARG 11 9.584 -8.058 -0.197 86 2HH1 ARG 11 2HH1 ARG 11 11.298 -7.938 0.008 87 1HH2 ARG 11 1HH2 ARG 11 11.122 -6.595 3.237 88 2HH2 ARG 11 2HH2 ARG 11 12.173 -7.106 1.959 89 H ASP 12 H ASP 12 5.102 -3.419 1.120 90 HA ASP 12 HA ASP 12 4.089 -4.793 3.435 91 1HB ASP 12 2HB ASP 12 5.072 -2.061 2.839 92 2HB ASP 12 1HB ASP 12 3.885 -2.191 4.130 93 H CYS 13 H CYS 13 2.860 -2.834 0.853 94 HA CYS 13 HA CYS 13 0.234 -2.619 2.077 95 1HB CYS 13 2HB CYS 13 1.652 -1.021 0.304 96 2HB CYS 13 1HB CYS 13 0.444 -1.797 -0.712 97 H VAL 14 H VAL 14 1.563 -5.226 1.164 98 HA VAL 14 HA VAL 14 0.426 -6.265 -1.121 99 HB VAL 14 HB VAL 14 2.115 -7.357 0.451 100 1HG1 VAL 14 1HG1 VAL 14 0.767 -7.244 2.492 101 2HG1 VAL 14 2HG1 VAL 14 1.253 -8.897 2.118 102 3HG1 VAL 14 3HG1 VAL 14 -0.395 -8.367 1.783 103 1HG2 VAL 14 1HG2 VAL 14 1.029 -9.706 -0.092 104 2HG2 VAL 14 2HG2 VAL 14 1.678 -8.665 -1.360 105 3HG2 VAL 14 3HG2 VAL 14 -0.059 -8.706 -1.057 106 H MET 15 H MET 15 -1.091 -5.603 1.960 107 HA MET 15 HA MET 15 -3.367 -7.217 1.786 108 1HB MET 15 2HB MET 15 -3.025 -4.464 2.994 109 2HB MET 15 1HB MET 15 -4.450 -5.467 3.224 110 1HG MET 15 2HG MET 15 -2.372 -7.141 3.922 111 2HG MET 15 1HG MET 15 -1.861 -5.568 4.532 112 1HE MET 15 1HE MET 15 -4.639 -8.512 6.213 113 2HE MET 15 2HE MET 15 -3.900 -8.496 4.612 114 3HE MET 15 3HE MET 15 -5.511 -7.817 4.846 115 H CYS 16 H CYS 16 -2.468 -4.351 0.037 116 HA CYS 16 HA CYS 16 -5.133 -3.806 -0.942 117 1HB CYS 16 2HB CYS 16 -3.189 -2.115 -0.527 118 2HB CYS 16 1HB CYS 16 -2.608 -2.643 -2.101 119 H GLY 17 H GLY 17 -2.075 -5.130 -2.241 120 1HA GLY 17 2HA GLY 17 -3.485 -6.838 -4.049 121 2HA GLY 17 1HA GLY 17 -2.787 -5.465 -4.891 122 H LEU 18 H LEU 18 -1.702 -7.335 -5.990 123 HA LEU 18 HA LEU 18 0.512 -8.506 -4.527 124 1HB LEU 18 2HB LEU 18 -0.087 -8.950 -7.438 125 2HB LEU 18 1HB LEU 18 0.804 -9.986 -6.340 126 HG LEU 18 HG LEU 18 -2.158 -9.468 -6.087 127 1HD1 LEU 18 1HD1 LEU 18 -2.651 -11.211 -7.445 128 2HD1 LEU 18 2HD1 LEU 18 -1.148 -12.062 -7.087 129 3HD1 LEU 18 3HD1 LEU 18 -1.147 -10.709 -8.217 130 1HD2 LEU 18 1HD2 LEU 18 -0.163 -11.100 -4.632 131 2HD2 LEU 18 2HD2 LEU 18 -1.743 -11.830 -4.915 132 3HD2 LEU 18 3HD2 LEU 18 -1.621 -10.299 -4.048 133 H GLY 19 H GLY 19 1.655 -6.568 -4.200 134 1HA GLY 19 2HA GLY 19 3.750 -5.586 -4.814 135 2HA GLY 19 1HA GLY 19 3.330 -5.826 -6.505 136 H ILE 20 H ILE 20 2.643 -3.902 -3.632 137 HA ILE 20 HA ILE 20 1.370 -1.861 -5.323 138 HB ILE 20 HB ILE 20 1.262 -1.681 -2.367 139 1HG1 ILE 20 2HG1 ILE 20 0.852 -4.014 -2.562 140 2HG1 ILE 20 1HG1 ILE 20 -0.709 -3.226 -2.337 141 1HG2 ILE 20 1HG2 ILE 20 0.122 0.037 -3.438 142 2HG2 ILE 20 2HG2 ILE 20 -1.156 -1.102 -3.015 143 3HG2 ILE 20 3HG2 ILE 20 -0.541 -1.041 -4.666 144 1HD1 ILE 20 1HD1 ILE 20 0.067 -4.979 -4.392 145 2HD1 ILE 20 2HD1 ILE 20 -0.177 -3.397 -5.128 146 3HD1 ILE 20 3HD1 ILE 20 -1.470 -4.143 -4.194 147 H SER 21 H SER 21 1.998 0.284 -5.230 148 HA SER 21 HA SER 21 4.706 0.758 -4.286 149 1HB SER 21 2HB SER 21 2.841 2.707 -5.663 150 2HB SER 21 1HB SER 21 4.588 2.854 -5.480 151 HG SER 21 HG SER 21 4.752 1.785 -7.269 152 H CYS 22 H CYS 22 5.191 1.784 -2.421 153 HA CYS 22 HA CYS 22 2.943 2.708 -0.803 154 1HB CYS 22 2HB CYS 22 4.803 1.067 -0.015 155 2HB CYS 22 1HB CYS 22 5.756 2.529 0.214 156 H LYS 23 H LYS 23 2.537 4.741 -0.345 157 HA LYS 23 HA LYS 23 4.360 6.832 -1.293 158 1HB LYS 23 2HB LYS 23 2.500 8.307 -1.269 159 2HB LYS 23 1HB LYS 23 1.903 6.799 -1.940 160 1HG LYS 23 2HG LYS 23 1.274 6.354 0.599 161 2HG LYS 23 1HG LYS 23 1.263 8.117 0.635 162 1HD LYS 23 2HD LYS 23 -0.109 7.022 -1.689 163 2HD LYS 23 1HD LYS 23 -0.815 6.492 -0.162 164 1HE LYS 23 2HE LYS 23 -1.057 8.792 0.562 165 2HE LYS 23 1HE LYS 23 -0.258 9.362 -0.904 166 1HZ LYS 23 1HZ LYS 23 -2.583 7.667 -1.310 167 2HZ LYS 23 2HZ LYS 23 -2.107 9.070 -2.127 168 3HZ LYS 23 3HZ LYS 23 -2.898 9.188 -0.637 169 H ASN 24 H ASN 24 3.319 8.831 0.508 170 HA ASN 24 HA ASN 24 5.143 8.738 2.567 171 1HB ASN 24 2HB ASN 24 3.385 10.617 1.579 172 2HB ASN 24 1HB ASN 24 2.765 10.327 3.201 173 1HD2 ASN 24 1HD2 ASN 24 5.082 9.870 4.615 174 2HD2 ASN 24 2HD2 ASN 24 6.049 11.302 4.614 175 H GLY 25 H GLY 25 4.565 6.414 3.094 176 1HA GLY 25 2HA GLY 25 4.088 5.028 4.882 177 2HA GLY 25 1HA GLY 25 3.268 6.369 5.666 178 H TYR 26 H TYR 26 2.258 5.673 2.422 179 HA TYR 26 HA TYR 26 0.096 3.948 3.367 180 1HB TYR 26 2HB TYR 26 -0.343 6.668 2.142 181 2HB TYR 26 1HB TYR 26 -1.595 5.429 2.185 182 HD1 TYR 26 1HD TYR 26 -1.819 4.311 4.640 183 HD2 TYR 26 2HD TYR 26 -0.441 8.251 3.817 184 HE1 TYR 26 1HE TYR 26 -2.426 4.988 6.917 185 HE2 TYR 26 2HE TYR 26 -1.054 8.946 6.096 186 HH TYR 26 HH TYR 26 -3.045 7.187 8.088 187 H CYS 27 H CYS 27 -1.525 3.703 1.316 188 HA CYS 27 HA CYS 27 0.116 2.403 -0.685 189 1HB CYS 27 2HB CYS 27 -2.463 1.983 0.432 190 2HB CYS 27 1HB CYS 27 -2.672 2.243 -1.293 191 H GLN 28 H GLN 28 0.231 2.882 -2.825 192 HA GLN 28 HA GLN 28 -0.627 5.551 -3.620 193 1HB GLN 28 2HB GLN 28 1.409 3.603 -4.522 194 2HB GLN 28 1HB GLN 28 0.674 4.571 -5.785 195 1HG GLN 28 2HG GLN 28 1.278 6.605 -4.470 196 2HG GLN 28 1HG GLN 28 2.174 5.553 -3.374 197 1HE2 GLN 28 1HE2 GLN 28 4.171 4.860 -3.941 198 2HE2 GLN 28 2HE2 GLN 28 4.958 5.274 -5.422 199 H GLY 29 H GLY 29 -0.868 2.203 -4.809 200 1HA GLY 29 2HA GLY 29 -3.542 2.247 -5.522 201 2HA GLY 29 1HA GLY 29 -2.653 2.793 -6.938 202 H CYS 30 H CYS 30 -3.630 0.106 -5.080 203 HA CYS 30 HA CYS 30 -1.691 -1.732 -6.155 204 1HB CYS 30 2HB CYS 30 -3.061 -3.447 -4.949 205 2HB CYS 30 1HB CYS 30 -2.478 -2.140 -3.928 206 H THR 31 H THR 31 -4.353 -3.597 -6.236 207 HA THR 31 HA THR 31 -4.568 -3.354 -9.139 208 HB THR 31 HB THR 31 -5.312 -5.609 -9.170 209 HG1 THR 31 1HG THR 31 -6.777 -5.761 -7.571 210 1HG2 THR 31 1HG2 THR 31 -2.870 -5.061 -8.157 211 2HG2 THR 31 2HG2 THR 31 -3.458 -6.682 -8.523 212 3HG2 THR 31 3HG2 THR 31 -3.546 -6.064 -6.874 Start of MODEL 14 1 1H THR 1 1HT THR 1 -10.428 0.327 -2.513 2 2H THR 1 2HT THR 1 -10.355 1.255 -1.071 3 3H THR 1 3HT THR 1 -9.239 -0.023 -1.328 4 HA THR 1 HA THR 1 -8.434 1.187 -3.297 5 HB THR 1 HB THR 1 -8.988 3.588 -3.399 6 HG1 THR 1 1HG THR 1 -10.241 4.525 -1.958 7 1HG2 THR 1 1HG2 THR 1 -10.380 2.042 -4.716 8 2HG2 THR 1 2HG2 THR 1 -11.252 3.486 -4.200 9 3HG2 THR 1 3HG2 THR 1 -11.513 1.954 -3.369 10 HA PRO 2 HA PRO 2 -5.130 2.368 -0.592 11 1HB PRO 2 2HB PRO 2 -4.424 4.694 -2.253 12 2HB PRO 2 1HB PRO 2 -3.530 3.198 -1.993 13 1HG PRO 2 2HG PRO 2 -4.697 3.756 -4.344 14 2HG PRO 2 1HG PRO 2 -4.598 2.100 -3.717 15 1HD PRO 2 2HD PRO 2 -6.911 4.008 -3.674 16 2HD PRO 2 1HD PRO 2 -6.888 2.273 -4.060 17 H TYR 3 H TYR 3 -7.198 3.170 0.669 18 HA TYR 3 HA TYR 3 -6.711 5.964 1.447 19 1HB TYR 3 2HB TYR 3 -9.191 4.524 0.911 20 2HB TYR 3 1HB TYR 3 -9.186 5.249 2.515 21 HD1 TYR 3 1HD TYR 3 -9.859 7.452 2.741 22 HD2 TYR 3 2HD TYR 3 -8.422 6.126 -1.039 23 HE1 TYR 3 1HE TYR 3 -10.436 9.632 1.763 24 HE2 TYR 3 2HE TYR 3 -8.995 8.304 -2.026 25 HH TYR 3 HH TYR 3 -9.283 10.733 -1.097 26 HA PRO 4 HA PRO 4 -6.904 3.515 5.475 27 1HB PRO 4 2HB PRO 4 -8.295 1.257 5.714 28 2HB PRO 4 1HB PRO 4 -9.116 2.812 5.546 29 1HG PRO 4 2HG PRO 4 -8.795 0.624 3.575 30 2HG PRO 4 1HG PRO 4 -10.087 1.826 3.722 31 1HD PRO 4 2HD PRO 4 -7.816 1.885 1.978 32 2HD PRO 4 1HD PRO 4 -9.084 3.112 2.156 33 H VAL 5 H VAL 5 -5.542 2.186 2.752 34 HA VAL 5 HA VAL 5 -4.391 -0.131 4.131 35 HB VAL 5 HB VAL 5 -3.199 0.150 1.568 36 1HG1 VAL 5 1HG1 VAL 5 -3.434 -1.989 2.400 37 2HG1 VAL 5 2HG1 VAL 5 -4.696 -1.930 1.168 38 3HG1 VAL 5 3HG1 VAL 5 -5.115 -1.736 2.871 39 1HG2 VAL 5 1HG2 VAL 5 -6.209 0.359 1.430 40 2HG2 VAL 5 2HG2 VAL 5 -5.109 0.135 0.069 41 3HG2 VAL 5 3HG2 VAL 5 -5.080 1.639 0.990 42 H ASN 6 H ASN 6 -2.933 0.604 5.562 43 HA ASN 6 HA ASN 6 -0.989 2.625 4.786 44 1HB ASN 6 2HB ASN 6 -0.207 2.388 7.174 45 2HB ASN 6 1HB ASN 6 -1.866 2.936 6.979 46 1HD2 ASN 6 1HD2 ASN 6 -3.555 1.597 7.610 47 2HD2 ASN 6 2HD2 ASN 6 -3.302 0.181 8.566 48 H CYS 7 H CYS 7 1.324 2.281 5.358 49 HA CYS 7 HA CYS 7 2.456 -0.285 5.642 50 1HB CYS 7 2HB CYS 7 3.442 -0.477 3.309 51 2HB CYS 7 1HB CYS 7 1.732 -0.856 3.441 52 H LYS 8 H LYS 8 4.823 -0.295 4.867 53 HA LYS 8 HA LYS 8 6.028 2.360 5.296 54 1HB LYS 8 2HB LYS 8 7.397 -0.198 6.098 55 2HB LYS 8 1HB LYS 8 7.700 1.440 6.663 56 1HG LYS 8 2HG LYS 8 5.472 1.383 7.790 57 2HG LYS 8 1HG LYS 8 5.361 -0.323 7.355 58 1HD LYS 8 2HD LYS 8 7.800 0.626 8.778 59 2HD LYS 8 1HD LYS 8 6.305 0.448 9.698 60 1HE LYS 8 2HE LYS 8 6.868 -1.700 9.922 61 2HE LYS 8 1HE LYS 8 6.409 -1.877 8.230 62 1HZ LYS 8 1HZ LYS 8 8.536 -2.760 8.331 63 2HZ LYS 8 2HZ LYS 8 9.109 -1.566 9.382 64 3HZ LYS 8 3HZ LYS 8 8.814 -1.192 7.759 65 H THR 9 H THR 9 6.484 -0.875 3.891 66 HA THR 9 HA THR 9 8.213 0.301 1.817 67 HB THR 9 HB THR 9 8.782 -2.276 1.509 68 HG1 THR 9 1HG THR 9 8.504 -3.475 3.261 69 1HG2 THR 9 1HG2 THR 9 10.596 -0.937 1.988 70 2HG2 THR 9 2HG2 THR 9 10.539 -2.024 3.376 71 3HG2 THR 9 3HG2 THR 9 9.914 -0.381 3.515 72 H ASP 10 H ASP 10 8.101 -1.409 -0.213 73 HA ASP 10 HA ASP 10 5.622 -0.923 -1.419 74 1HB ASP 10 2HB ASP 10 7.886 -2.774 -2.147 75 2HB ASP 10 1HB ASP 10 6.440 -2.636 -3.142 76 H ARG 11 H ARG 11 6.942 -4.124 -0.498 77 HA ARG 11 HA ARG 11 4.443 -5.437 -0.877 78 1HB ARG 11 2HB ARG 11 6.938 -6.371 0.544 79 2HB ARG 11 1HB ARG 11 5.570 -7.394 0.129 80 1HG ARG 11 2HG ARG 11 6.422 -7.756 -1.878 81 2HG ARG 11 1HG ARG 11 6.403 -6.025 -2.220 82 1HD ARG 11 2HD ARG 11 8.637 -6.425 -2.441 83 2HD ARG 11 1HD ARG 11 8.576 -6.066 -0.717 84 HE ARG 11 HE ARG 11 9.166 -8.228 -0.280 85 1HH1 ARG 11 1HH1 ARG 11 8.058 -8.047 -3.599 86 2HH1 ARG 11 2HH1 ARG 11 8.523 -9.671 -3.972 87 1HH2 ARG 11 1HH2 ARG 11 9.776 -10.369 -0.778 88 2HH2 ARG 11 2HH2 ARG 11 9.499 -10.991 -2.371 89 H ASP 12 H ASP 12 5.074 -3.280 1.482 90 HA ASP 12 HA ASP 12 4.104 -4.752 3.762 91 1HB ASP 12 2HB ASP 12 5.071 -2.019 3.243 92 2HB ASP 12 1HB ASP 12 3.774 -2.115 4.426 93 H CYS 13 H CYS 13 2.838 -2.845 1.172 94 HA CYS 13 HA CYS 13 0.182 -2.737 2.360 95 1HB CYS 13 2HB CYS 13 1.559 -1.033 0.668 96 2HB CYS 13 1HB CYS 13 0.441 -1.854 -0.415 97 H VAL 14 H VAL 14 1.621 -5.272 1.452 98 HA VAL 14 HA VAL 14 0.614 -6.320 -0.888 99 HB VAL 14 HB VAL 14 2.260 -7.370 0.783 100 1HG1 VAL 14 1HG1 VAL 14 1.361 -8.992 2.335 101 2HG1 VAL 14 2HG1 VAL 14 -0.285 -8.562 1.872 102 3HG1 VAL 14 3HG1 VAL 14 0.732 -7.388 2.707 103 1HG2 VAL 14 1HG2 VAL 14 1.401 -9.733 0.062 104 2HG2 VAL 14 2HG2 VAL 14 1.980 -8.582 -1.143 105 3HG2 VAL 14 3HG2 VAL 14 0.248 -8.797 -0.889 106 H MET 15 H MET 15 -1.053 -5.777 2.143 107 HA MET 15 HA MET 15 -3.266 -7.453 1.847 108 1HB MET 15 2HB MET 15 -2.673 -4.962 3.330 109 2HB MET 15 1HB MET 15 -4.377 -5.280 3.039 110 1HG MET 15 2HG MET 15 -4.013 -7.561 4.027 111 2HG MET 15 1HG MET 15 -2.406 -7.012 4.502 112 1HE MET 15 1HE MET 15 -3.036 -4.369 7.187 113 2HE MET 15 2HE MET 15 -2.328 -4.406 5.573 114 3HE MET 15 3HE MET 15 -1.947 -5.680 6.732 115 H CYS 16 H CYS 16 -2.400 -4.530 0.183 116 HA CYS 16 HA CYS 16 -5.038 -4.072 -0.910 117 1HB CYS 16 2HB CYS 16 -3.161 -2.322 -0.384 118 2HB CYS 16 1HB CYS 16 -2.523 -2.791 -1.955 119 H GLY 17 H GLY 17 -1.871 -5.238 -2.099 120 1HA GLY 17 2HA GLY 17 -3.117 -6.993 -3.977 121 2HA GLY 17 1HA GLY 17 -2.473 -5.572 -4.782 122 H LEU 18 H LEU 18 -1.254 -7.390 -5.855 123 HA LEU 18 HA LEU 18 0.983 -8.427 -4.325 124 1HB LEU 18 2HB LEU 18 -0.069 -8.968 -7.084 125 2HB LEU 18 1HB LEU 18 1.520 -9.519 -6.592 126 HG LEU 18 HG LEU 18 0.099 -10.527 -4.559 127 1HD1 LEU 18 1HD1 LEU 18 -1.989 -9.543 -5.675 128 2HD1 LEU 18 2HD1 LEU 18 -2.052 -11.218 -5.129 129 3HD1 LEU 18 3HD1 LEU 18 -1.819 -10.856 -6.840 130 1HD2 LEU 18 1HD2 LEU 18 0.797 -11.595 -7.252 131 2HD2 LEU 18 2HD2 LEU 18 -0.149 -12.598 -6.153 132 3HD2 LEU 18 3HD2 LEU 18 1.443 -12.018 -5.667 133 H GLY 19 H GLY 19 1.996 -6.428 -3.967 134 1HA GLY 19 2HA GLY 19 4.061 -5.346 -4.525 135 2HA GLY 19 1HA GLY 19 3.677 -5.571 -6.227 136 H ILE 20 H ILE 20 2.851 -3.746 -3.325 137 HA ILE 20 HA ILE 20 1.532 -1.722 -5.002 138 HB ILE 20 HB ILE 20 1.308 -1.642 -2.046 139 1HG1 ILE 20 2HG1 ILE 20 0.997 -3.983 -2.338 140 2HG1 ILE 20 1HG1 ILE 20 -0.598 -3.262 -2.135 141 1HG2 ILE 20 1HG2 ILE 20 -1.125 -1.168 -2.810 142 2HG2 ILE 20 2HG2 ILE 20 -0.393 -0.955 -4.401 143 3HG2 ILE 20 3HG2 ILE 20 0.117 0.061 -3.052 144 1HD1 ILE 20 1HD1 ILE 20 0.327 -4.901 -4.236 145 2HD1 ILE 20 2HD1 ILE 20 0.002 -3.306 -4.910 146 3HD1 ILE 20 3HD1 ILE 20 -1.261 -4.167 -4.037 147 H SER 21 H SER 21 2.075 0.440 -4.834 148 HA SER 21 HA SER 21 4.724 0.987 -3.768 149 1HB SER 21 2HB SER 21 2.812 2.738 -5.340 150 2HB SER 21 1HB SER 21 4.443 3.205 -4.856 151 HG SER 21 HG SER 21 4.328 2.370 -7.010 152 H CYS 22 H CYS 22 5.092 2.005 -1.875 153 HA CYS 22 HA CYS 22 2.742 2.835 -0.351 154 1HB CYS 22 2HB CYS 22 4.599 1.214 0.496 155 2HB CYS 22 1HB CYS 22 5.502 2.692 0.809 156 H LYS 23 H LYS 23 2.245 4.845 0.051 157 HA LYS 23 HA LYS 23 4.064 7.007 -0.701 158 1HB LYS 23 2HB LYS 23 1.356 6.631 -1.127 159 2HB LYS 23 1HB LYS 23 1.378 7.728 0.247 160 1HG LYS 23 2HG LYS 23 1.242 8.875 -1.936 161 2HG LYS 23 1HG LYS 23 2.658 9.340 -0.991 162 1HD LYS 23 2HD LYS 23 4.084 8.526 -2.518 163 2HD LYS 23 1HD LYS 23 3.132 7.058 -2.745 164 1HE LYS 23 2HE LYS 23 3.124 8.194 -4.825 165 2HE LYS 23 1HE LYS 23 1.531 8.444 -4.112 166 1HZ LYS 23 1HZ LYS 23 2.202 10.635 -3.407 167 2HZ LYS 23 2HZ LYS 23 2.457 10.478 -5.072 168 3HZ LYS 23 3HZ LYS 23 3.767 10.397 -4.005 169 H ASN 24 H ASN 24 2.756 8.895 1.073 170 HA ASN 24 HA ASN 24 4.431 8.888 3.251 171 1HB ASN 24 2HB ASN 24 1.892 10.333 2.612 172 2HB ASN 24 1HB ASN 24 2.574 10.482 4.228 173 1HD2 ASN 24 1HD2 ASN 24 3.916 12.117 4.507 174 2HD2 ASN 24 2HD2 ASN 24 4.842 12.893 3.272 175 H GLY 25 H GLY 25 4.010 6.498 3.670 176 1HA GLY 25 2HA GLY 25 3.523 4.993 5.349 177 2HA GLY 25 1HA GLY 25 2.623 6.257 6.175 178 H TYR 26 H TYR 26 1.782 5.648 2.860 179 HA TYR 26 HA TYR 26 -0.378 3.844 3.656 180 1HB TYR 26 2HB TYR 26 -0.814 6.570 2.445 181 2HB TYR 26 1HB TYR 26 -2.039 5.304 2.413 182 HD1 TYR 26 1HD TYR 26 -1.198 8.169 4.064 183 HD2 TYR 26 2HD TYR 26 -2.190 4.120 4.912 184 HE1 TYR 26 1HE TYR 26 -1.932 8.827 6.317 185 HE2 TYR 26 2HE TYR 26 -2.921 4.762 7.165 186 HH TYR 26 HH TYR 26 -3.752 6.836 8.320 187 H CYS 27 H CYS 27 -1.853 3.480 1.588 188 HA CYS 27 HA CYS 27 -0.090 2.302 -0.375 189 1HB CYS 27 2HB CYS 27 -2.682 1.758 0.652 190 2HB CYS 27 1HB CYS 27 -2.850 2.017 -1.077 191 H GLN 28 H GLN 28 0.017 2.755 -2.535 192 HA GLN 28 HA GLN 28 -0.870 5.412 -3.343 193 1HB GLN 28 2HB GLN 28 1.215 3.501 -4.206 194 2HB GLN 28 1HB GLN 28 0.482 4.451 -5.486 195 1HG GLN 28 2HG GLN 28 1.023 6.500 -4.188 196 2HG GLN 28 1HG GLN 28 1.900 5.482 -3.047 197 1HE2 GLN 28 1HE2 GLN 28 3.997 5.237 -3.409 198 2HE2 GLN 28 2HE2 GLN 28 4.799 5.482 -4.920 199 H GLY 29 H GLY 29 -0.915 2.121 -4.693 200 1HA GLY 29 2HA GLY 29 -3.616 2.070 -5.415 201 2HA GLY 29 1HA GLY 29 -2.701 2.653 -6.803 202 H CYS 30 H CYS 30 -3.578 -0.076 -4.924 203 HA CYS 30 HA CYS 30 -1.555 -1.831 -5.960 204 1HB CYS 30 2HB CYS 30 -2.910 -3.600 -4.796 205 2HB CYS 30 1HB CYS 30 -2.381 -2.279 -3.763 206 H THR 31 H THR 31 -4.168 -3.782 -6.106 207 HA THR 31 HA THR 31 -4.337 -3.520 -9.021 208 HB THR 31 HB THR 31 -4.833 -5.833 -9.129 209 HG1 THR 31 1HG THR 31 -5.455 -5.593 -6.392 210 1HG2 THR 31 1HG2 THR 31 -3.125 -6.435 -6.909 211 2HG2 THR 31 2HG2 THR 31 -2.514 -5.031 -7.785 212 3HG2 THR 31 3HG2 THR 31 -2.801 -6.546 -8.640 Start of MODEL 15 1 1H THR 1 1HT THR 1 -9.344 -0.447 -1.121 2 2H THR 1 2HT THR 1 -8.501 -0.799 -2.574 3 3H THR 1 3HT THR 1 -10.156 -0.350 -2.628 4 HA THR 1 HA THR 1 -8.583 1.400 -3.280 5 HB THR 1 HB THR 1 -10.323 1.879 -0.843 6 HG1 THR 1 1HG THR 1 -11.003 2.029 -3.595 7 1HG2 THR 1 1HG2 THR 1 -10.560 4.118 -1.465 8 2HG2 THR 1 2HG2 THR 1 -9.802 3.857 -3.036 9 3HG2 THR 1 3HG2 THR 1 -8.828 3.802 -1.567 10 HA PRO 2 HA PRO 2 -5.094 1.880 -0.533 11 1HB PRO 2 2HB PRO 2 -3.870 3.917 -1.766 12 2HB PRO 2 1HB PRO 2 -3.992 2.329 -2.532 13 1HG PRO 2 2HG PRO 2 -5.624 4.792 -3.005 14 2HG PRO 2 1HG PRO 2 -4.956 3.649 -4.185 15 1HD PRO 2 2HD PRO 2 -7.561 3.618 -3.297 16 2HD PRO 2 1HD PRO 2 -6.710 2.204 -3.951 17 H TYR 3 H TYR 3 -7.472 2.969 0.510 18 HA TYR 3 HA TYR 3 -6.732 5.643 1.431 19 1HB TYR 3 2HB TYR 3 -9.200 4.433 0.801 20 2HB TYR 3 1HB TYR 3 -9.204 4.656 2.546 21 HD1 TYR 3 1HD TYR 3 -8.095 7.108 3.182 22 HD2 TYR 3 2HD TYR 3 -10.234 6.129 -0.364 23 HE1 TYR 3 1HE TYR 3 -8.676 9.479 2.884 24 HE2 TYR 3 2HE TYR 3 -10.820 8.495 -0.671 25 HH TYR 3 HH TYR 3 -10.817 10.692 1.526 26 HA PRO 4 HA PRO 4 -6.808 3.247 5.502 27 1HB PRO 4 2HB PRO 4 -8.090 0.934 5.787 28 2HB PRO 4 1HB PRO 4 -8.988 2.446 5.609 29 1HG PRO 4 2HG PRO 4 -8.545 0.265 3.640 30 2HG PRO 4 1HG PRO 4 -9.933 1.348 3.827 31 1HD PRO 4 2HD PRO 4 -7.774 1.608 1.994 32 2HD PRO 4 1HD PRO 4 -9.080 2.771 2.288 33 H VAL 5 H VAL 5 -5.402 2.015 2.793 34 HA VAL 5 HA VAL 5 -4.134 -0.256 4.148 35 HB VAL 5 HB VAL 5 -3.098 0.221 1.491 36 1HG1 VAL 5 1HG1 VAL 5 -2.804 -1.896 2.407 37 2HG1 VAL 5 2HG1 VAL 5 -4.081 -2.131 1.215 38 3HG1 VAL 5 3HG1 VAL 5 -4.485 -2.011 2.927 39 1HG2 VAL 5 1HG2 VAL 5 -6.084 -0.209 1.658 40 2HG2 VAL 5 2HG2 VAL 5 -5.104 -0.232 0.192 41 3HG2 VAL 5 3HG2 VAL 5 -5.301 1.268 1.098 42 H ASN 6 H ASN 6 -2.671 0.526 5.528 43 HA ASN 6 HA ASN 6 -0.842 2.640 4.718 44 1HB ASN 6 2HB ASN 6 0.022 2.397 7.086 45 2HB ASN 6 1HB ASN 6 -1.656 2.902 6.938 46 1HD2 ASN 6 1HD2 ASN 6 0.405 0.079 7.493 47 2HD2 ASN 6 2HD2 ASN 6 -0.737 -0.778 8.465 48 H CYS 7 H CYS 7 1.516 2.361 5.276 49 HA CYS 7 HA CYS 7 2.719 -0.172 5.484 50 1HB CYS 7 2HB CYS 7 3.659 -0.316 3.132 51 2HB CYS 7 1HB CYS 7 1.958 -0.728 3.289 52 H LYS 8 H LYS 8 5.063 -0.119 4.668 53 HA LYS 8 HA LYS 8 6.216 2.558 5.092 54 1HB LYS 8 2HB LYS 8 7.555 -0.031 5.888 55 2HB LYS 8 1HB LYS 8 8.026 1.604 6.324 56 1HG LYS 8 2HG LYS 8 5.330 0.758 7.180 57 2HG LYS 8 1HG LYS 8 6.692 -0.046 7.962 58 1HD LYS 8 2HD LYS 8 7.638 2.253 8.409 59 2HD LYS 8 1HD LYS 8 6.087 2.904 7.875 60 1HE LYS 8 2HE LYS 8 6.213 0.807 10.013 61 2HE LYS 8 1HE LYS 8 6.491 2.503 10.404 62 1HZ LYS 8 1HZ LYS 8 4.033 1.239 9.358 63 2HZ LYS 8 2HZ LYS 8 4.286 2.905 9.219 64 3HZ LYS 8 3HZ LYS 8 4.226 2.185 10.747 65 H THR 9 H THR 9 6.711 -0.661 3.663 66 HA THR 9 HA THR 9 8.372 0.552 1.553 67 HB THR 9 HB THR 9 9.431 -1.604 1.247 68 HG1 THR 9 1HG THR 9 8.592 -3.384 1.970 69 1HG2 THR 9 1HG2 THR 9 10.845 -1.118 2.869 70 2HG2 THR 9 2HG2 THR 9 9.781 -1.926 4.021 71 3HG2 THR 9 3HG2 THR 9 9.601 -0.199 3.715 72 H ASP 10 H ASP 10 8.264 -1.187 -0.456 73 HA ASP 10 HA ASP 10 5.767 -0.764 -1.644 74 1HB ASP 10 2HB ASP 10 8.205 -2.305 -2.344 75 2HB ASP 10 1HB ASP 10 6.726 -2.741 -3.192 76 H ARG 11 H ARG 11 7.144 -3.947 -0.731 77 HA ARG 11 HA ARG 11 4.648 -5.282 -1.033 78 1HB ARG 11 2HB ARG 11 7.364 -6.022 -0.575 79 2HB ARG 11 1HB ARG 11 6.361 -6.824 0.627 80 1HG ARG 11 2HG ARG 11 5.524 -6.888 -2.232 81 2HG ARG 11 1HG ARG 11 6.830 -7.941 -1.688 82 1HD ARG 11 2HD ARG 11 5.332 -8.822 0.075 83 2HD ARG 11 1HD ARG 11 4.031 -7.824 -0.569 84 HE ARG 11 HE ARG 11 3.739 -9.341 -2.255 85 1HH1 ARG 11 1HH1 ARG 11 6.843 -9.954 -0.749 86 2HH1 ARG 11 2HH1 ARG 11 7.105 -11.434 -1.607 87 1HH2 ARG 11 1HH2 ARG 11 4.093 -11.293 -3.384 88 2HH2 ARG 11 2HH2 ARG 11 5.544 -12.194 -3.104 89 H ASP 12 H ASP 12 5.320 -3.103 1.309 90 HA ASP 12 HA ASP 12 4.408 -4.581 3.607 91 1HB ASP 12 2HB ASP 12 5.342 -1.843 3.079 92 2HB ASP 12 1HB ASP 12 4.057 -1.943 4.274 93 H CYS 13 H CYS 13 3.058 -2.674 1.053 94 HA CYS 13 HA CYS 13 0.431 -2.610 2.304 95 1HB CYS 13 2HB CYS 13 1.726 -0.864 0.609 96 2HB CYS 13 1HB CYS 13 0.640 -1.717 -0.482 97 H VAL 14 H VAL 14 1.861 -5.129 1.381 98 HA VAL 14 HA VAL 14 0.819 -6.187 -0.940 99 HB VAL 14 HB VAL 14 2.512 -7.223 0.685 100 1HG1 VAL 14 1HG1 VAL 14 1.866 -8.428 2.492 101 2HG1 VAL 14 2HG1 VAL 14 0.300 -8.847 1.798 102 3HG1 VAL 14 3HG1 VAL 14 0.559 -7.245 2.490 103 1HG2 VAL 14 1HG2 VAL 14 0.454 -8.692 -0.901 104 2HG2 VAL 14 2HG2 VAL 14 1.678 -9.591 -0.003 105 3HG2 VAL 14 3HG2 VAL 14 2.165 -8.431 -1.240 106 H MET 15 H MET 15 -0.807 -5.627 2.105 107 HA MET 15 HA MET 15 -2.996 -7.340 1.874 108 1HB MET 15 2HB MET 15 -2.284 -5.033 3.449 109 2HB MET 15 1HB MET 15 -3.964 -4.910 2.944 110 1HG MET 15 2HG MET 15 -2.906 -7.428 4.166 111 2HG MET 15 1HG MET 15 -3.412 -6.068 5.166 112 1HE MET 15 1HE MET 15 -4.233 -9.131 3.394 113 2HE MET 15 2HE MET 15 -4.927 -8.260 2.027 114 3HE MET 15 3HE MET 15 -5.975 -9.158 3.126 115 H CYS 16 H CYS 16 -2.202 -4.439 0.134 116 HA CYS 16 HA CYS 16 -4.861 -4.053 -0.934 117 1HB CYS 16 2HB CYS 16 -3.027 -2.252 -0.460 118 2HB CYS 16 1HB CYS 16 -2.379 -2.742 -2.022 119 H GLY 17 H GLY 17 -1.687 -5.182 -2.142 120 1HA GLY 17 2HA GLY 17 -2.919 -6.994 -3.969 121 2HA GLY 17 1HA GLY 17 -2.326 -5.573 -4.811 122 H LEU 18 H LEU 18 -1.072 -7.360 -5.879 123 HA LEU 18 HA LEU 18 1.210 -8.331 -4.375 124 1HB LEU 18 2HB LEU 18 0.068 -8.947 -7.071 125 2HB LEU 18 1HB LEU 18 1.724 -9.384 -6.701 126 HG LEU 18 HG LEU 18 -0.342 -10.243 -4.752 127 1HD1 LEU 18 1HD1 LEU 18 -0.318 -11.058 -7.591 128 2HD1 LEU 18 2HD1 LEU 18 -1.635 -11.053 -6.418 129 3HD1 LEU 18 3HD1 LEU 18 -0.442 -12.352 -6.400 130 1HD2 LEU 18 1HD2 LEU 18 2.196 -10.663 -4.704 131 2HD2 LEU 18 2HD2 LEU 18 1.876 -11.859 -5.961 132 3HD2 LEU 18 3HD2 LEU 18 1.116 -12.019 -4.376 133 H GLY 19 H GLY 19 2.194 -6.321 -4.046 134 1HA GLY 19 2HA GLY 19 4.224 -5.196 -4.645 135 2HA GLY 19 1HA GLY 19 3.815 -5.435 -6.339 136 H ILE 20 H ILE 20 3.008 -3.616 -3.428 137 HA ILE 20 HA ILE 20 1.619 -1.624 -5.088 138 HB ILE 20 HB ILE 20 1.440 -1.545 -2.129 139 1HG1 ILE 20 2HG1 ILE 20 1.167 -3.892 -2.412 140 2HG1 ILE 20 1HG1 ILE 20 -0.437 -3.199 -2.187 141 1HG2 ILE 20 1HG2 ILE 20 0.204 0.134 -3.114 142 2HG2 ILE 20 2HG2 ILE 20 -1.012 -1.116 -2.854 143 3HG2 ILE 20 3HG2 ILE 20 -0.310 -0.889 -4.455 144 1HD1 ILE 20 1HD1 ILE 20 0.116 -3.238 -4.970 145 2HD1 ILE 20 2HD1 ILE 20 -1.113 -4.125 -4.073 146 3HD1 ILE 20 3HD1 ILE 20 0.488 -4.824 -4.299 147 H SER 21 H SER 21 2.188 0.520 -5.011 148 HA SER 21 HA SER 21 4.816 1.117 -3.935 149 1HB SER 21 2HB SER 21 2.931 3.016 -5.357 150 2HB SER 21 1HB SER 21 4.673 3.194 -5.139 151 HG SER 21 HG SER 21 3.562 2.193 -7.205 152 H CYS 22 H CYS 22 5.178 2.141 -2.046 153 HA CYS 22 HA CYS 22 2.836 2.931 -0.499 154 1HB CYS 22 2HB CYS 22 4.757 1.381 0.334 155 2HB CYS 22 1HB CYS 22 5.621 2.890 0.610 156 H LYS 23 H LYS 23 2.286 4.927 -0.080 157 HA LYS 23 HA LYS 23 4.029 7.130 -0.893 158 1HB LYS 23 2HB LYS 23 1.324 6.679 -1.268 159 2HB LYS 23 1HB LYS 23 1.345 7.805 0.081 160 1HG LYS 23 2HG LYS 23 1.152 8.915 -2.110 161 2HG LYS 23 1HG LYS 23 2.586 9.410 -1.208 162 1HD LYS 23 2HD LYS 23 3.281 7.154 -2.779 163 2HD LYS 23 1HD LYS 23 2.421 8.291 -3.819 164 1HE LYS 23 2HE LYS 23 3.981 9.981 -3.475 165 2HE LYS 23 1HE LYS 23 4.608 9.236 -2.005 166 1HZ LYS 23 1HZ LYS 23 6.248 8.706 -3.472 167 2HZ LYS 23 2HZ LYS 23 5.210 8.621 -4.804 168 3HZ LYS 23 3HZ LYS 23 5.258 7.351 -3.688 169 H ASN 24 H ASN 24 2.740 9.029 0.850 170 HA ASN 24 HA ASN 24 4.442 9.093 3.000 171 1HB ASN 24 2HB ASN 24 2.734 10.863 1.939 172 2HB ASN 24 1HB ASN 24 1.795 10.394 3.350 173 1HD2 ASN 24 1HD2 ASN 24 3.919 12.596 2.244 174 2HD2 ASN 24 2HD2 ASN 24 4.656 13.079 3.730 175 H GLY 25 H GLY 25 4.056 6.697 3.482 176 1HA GLY 25 2HA GLY 25 3.651 5.262 5.247 177 2HA GLY 25 1HA GLY 25 2.706 6.524 6.018 178 H TYR 26 H TYR 26 1.793 5.851 2.764 179 HA TYR 26 HA TYR 26 -0.219 3.907 3.623 180 1HB TYR 26 2HB TYR 26 -0.861 6.611 2.455 181 2HB TYR 26 1HB TYR 26 -2.006 5.272 2.442 182 HD1 TYR 26 1HD TYR 26 -2.105 4.069 4.900 183 HD2 TYR 26 2HD TYR 26 -1.210 8.156 4.129 184 HE1 TYR 26 1HE TYR 26 -2.818 4.645 7.174 185 HE2 TYR 26 2HE TYR 26 -1.929 8.748 6.404 186 HH TYR 26 HH TYR 26 -2.340 6.536 8.842 187 H CYS 27 H CYS 27 -1.761 3.532 1.570 188 HA CYS 27 HA CYS 27 -0.004 2.432 -0.440 189 1HB CYS 27 2HB CYS 27 -2.572 1.810 0.617 190 2HB CYS 27 1HB CYS 27 -2.759 2.081 -1.110 191 H GLN 28 H GLN 28 0.063 2.926 -2.588 192 HA GLN 28 HA GLN 28 -0.938 5.560 -3.347 193 1HB GLN 28 2HB GLN 28 1.239 3.785 -4.219 194 2HB GLN 28 1HB GLN 28 0.412 4.602 -5.533 195 1HG GLN 28 2HG GLN 28 0.867 6.754 -4.512 196 2HG GLN 28 1HG GLN 28 1.650 5.954 -3.150 197 1HE2 GLN 28 1HE2 GLN 28 3.657 4.931 -3.475 198 2HE2 GLN 28 2HE2 GLN 28 4.660 5.322 -4.827 199 H GLY 29 H GLY 29 -0.928 2.253 -4.643 200 1HA GLY 29 2HA GLY 29 -3.608 2.092 -5.332 201 2HA GLY 29 1HA GLY 29 -2.772 2.743 -6.736 202 H CYS 30 H CYS 30 -3.504 -0.057 -4.934 203 HA CYS 30 HA CYS 30 -1.406 -1.703 -5.995 204 1HB CYS 30 2HB CYS 30 -2.715 -3.554 -4.902 205 2HB CYS 30 1HB CYS 30 -2.235 -2.251 -3.826 206 H THR 31 H THR 31 -3.938 -3.751 -6.234 207 HA THR 31 HA THR 31 -4.059 -3.430 -9.141 208 HB THR 31 HB THR 31 -4.513 -5.742 -9.306 209 HG1 THR 31 1HG THR 31 -5.168 -5.617 -6.558 210 1HG2 THR 31 1HG2 THR 31 -2.539 -6.540 -8.689 211 2HG2 THR 31 2HG2 THR 31 -2.871 -6.268 -6.978 212 3HG2 THR 31 3HG2 THR 31 -2.234 -4.959 -7.973 Start of MODEL 16 1 1H THR 1 1HT THR 1 -10.155 -0.201 -2.766 2 2H THR 1 2HT THR 1 -9.820 0.202 -1.132 3 3H THR 1 3HT THR 1 -8.718 -0.768 -2.022 4 HA THR 1 HA THR 1 -8.281 1.043 -3.499 5 HB THR 1 HB THR 1 -9.175 3.314 -2.350 6 HG1 THR 1 1HG THR 1 -11.482 1.746 -2.119 7 1HG2 THR 1 1HG2 THR 1 -9.675 3.291 -4.549 8 2HG2 THR 1 2HG2 THR 1 -11.286 2.949 -3.919 9 3HG2 THR 1 3HG2 THR 1 -10.273 1.633 -4.516 10 HA PRO 2 HA PRO 2 -5.034 2.032 -0.643 11 1HB PRO 2 2HB PRO 2 -3.832 4.116 -1.817 12 2HB PRO 2 1HB PRO 2 -3.868 2.528 -2.593 13 1HG PRO 2 2HG PRO 2 -5.551 4.940 -3.130 14 2HG PRO 2 1HG PRO 2 -4.810 3.814 -4.281 15 1HD PRO 2 2HD PRO 2 -7.447 3.722 -3.478 16 2HD PRO 2 1HD PRO 2 -6.544 2.337 -4.122 17 H TYR 3 H TYR 3 -7.516 3.084 0.269 18 HA TYR 3 HA TYR 3 -6.858 5.761 1.235 19 1HB TYR 3 2HB TYR 3 -9.259 4.589 0.445 20 2HB TYR 3 1HB TYR 3 -9.367 4.641 2.200 21 HD1 TYR 3 1HD TYR 3 -9.174 6.834 3.381 22 HD2 TYR 3 2HD TYR 3 -9.444 6.579 -0.858 23 HE1 TYR 3 1HE TYR 3 -9.787 9.212 3.283 24 HE2 TYR 3 2HE TYR 3 -10.058 8.957 -0.967 25 HH TYR 3 HH TYR 3 -11.006 10.743 1.722 26 HA PRO 4 HA PRO 4 -7.033 3.351 5.288 27 1HB PRO 4 2HB PRO 4 -8.357 1.057 5.530 28 2HB PRO 4 1HB PRO 4 -9.225 2.582 5.319 29 1HG PRO 4 2HG PRO 4 -8.782 0.378 3.386 30 2HG PRO 4 1HG PRO 4 -10.122 1.531 3.492 31 1HD PRO 4 2HD PRO 4 -7.822 1.657 1.792 32 2HD PRO 4 1HD PRO 4 -9.137 2.840 1.932 33 H VAL 5 H VAL 5 -5.509 2.123 2.658 34 HA VAL 5 HA VAL 5 -4.345 -0.172 4.069 35 HB VAL 5 HB VAL 5 -3.194 0.219 1.457 36 1HG1 VAL 5 1HG1 VAL 5 -3.274 -2.009 1.465 37 2HG1 VAL 5 2HG1 VAL 5 -5.000 -2.040 1.823 38 3HG1 VAL 5 3HG1 VAL 5 -3.830 -1.853 3.130 39 1HG2 VAL 5 1HG2 VAL 5 -5.136 -0.114 0.057 40 2HG2 VAL 5 2HG2 VAL 5 -5.339 1.375 0.978 41 3HG2 VAL 5 3HG2 VAL 5 -6.199 -0.084 1.464 42 H ASN 6 H ASN 6 -2.925 0.617 5.491 43 HA ASN 6 HA ASN 6 -1.005 2.655 4.694 44 1HB ASN 6 2HB ASN 6 -0.238 2.479 7.089 45 2HB ASN 6 1HB ASN 6 -1.907 2.991 6.880 46 1HD2 ASN 6 1HD2 ASN 6 -3.573 1.615 7.510 47 2HD2 ASN 6 2HD2 ASN 6 -3.294 0.226 8.498 48 H CYS 7 H CYS 7 1.324 2.311 5.343 49 HA CYS 7 HA CYS 7 2.404 -0.276 5.641 50 1HB CYS 7 2HB CYS 7 3.438 -0.483 3.333 51 2HB CYS 7 1HB CYS 7 1.717 -0.820 3.423 52 H LYS 8 H LYS 8 4.769 -0.351 4.934 53 HA LYS 8 HA LYS 8 6.056 2.259 5.386 54 1HB LYS 8 2HB LYS 8 6.707 -0.457 6.517 55 2HB LYS 8 1HB LYS 8 7.928 0.806 6.418 56 1HG LYS 8 2HG LYS 8 6.264 2.266 7.696 57 2HG LYS 8 1HG LYS 8 5.409 0.761 8.041 58 1HD LYS 8 2HD LYS 8 7.115 -0.064 9.355 59 2HD LYS 8 1HD LYS 8 8.344 0.925 8.565 60 1HE LYS 8 2HE LYS 8 6.225 2.389 10.009 61 2HE LYS 8 1HE LYS 8 7.335 1.454 11.007 62 1HZ LYS 8 1HZ LYS 8 7.899 3.889 10.414 63 2HZ LYS 8 2HZ LYS 8 8.398 3.251 8.929 64 3HZ LYS 8 3HZ LYS 8 9.126 2.725 10.363 65 H THR 9 H THR 9 6.391 -0.989 3.998 66 HA THR 9 HA THR 9 8.240 0.092 1.977 67 HB THR 9 HB THR 9 8.067 -2.849 2.416 68 HG1 THR 9 1HG THR 9 8.361 -2.492 4.493 69 1HG2 THR 9 1HG2 THR 9 10.715 -2.019 2.451 70 2HG2 THR 9 2HG2 THR 9 9.929 -0.978 1.264 71 3HG2 THR 9 3HG2 THR 9 9.839 -2.732 1.097 72 H ASP 10 H ASP 10 8.121 -1.642 -0.033 73 HA ASP 10 HA ASP 10 5.659 -1.104 -1.267 74 1HB ASP 10 2HB ASP 10 6.487 -2.820 -3.004 75 2HB ASP 10 1HB ASP 10 7.432 -1.359 -2.761 76 H ARG 11 H ARG 11 6.931 -4.310 -0.256 77 HA ARG 11 HA ARG 11 4.429 -5.604 -0.722 78 1HB ARG 11 2HB ARG 11 7.008 -6.426 0.565 79 2HB ARG 11 1HB ARG 11 5.588 -7.453 0.701 80 1HG ARG 11 2HG ARG 11 5.978 -8.295 -1.303 81 2HG ARG 11 1HG ARG 11 5.874 -6.687 -2.022 82 1HD ARG 11 2HD ARG 11 8.344 -6.570 -0.954 83 2HD ARG 11 1HD ARG 11 8.239 -8.298 -1.295 84 HE ARG 11 HE ARG 11 8.419 -6.144 -3.203 85 1HH1 ARG 11 1HH1 ARG 11 7.469 -9.483 -2.718 86 2HH1 ARG 11 2HH1 ARG 11 7.634 -9.901 -4.390 87 1HH2 ARG 11 1HH2 ARG 11 8.632 -6.702 -5.405 88 2HH2 ARG 11 2HH2 ARG 11 8.294 -8.321 -5.917 89 H ASP 12 H ASP 12 5.020 -3.392 1.603 90 HA ASP 12 HA ASP 12 3.930 -4.761 3.891 91 1HB ASP 12 2HB ASP 12 4.911 -2.038 3.297 92 2HB ASP 12 1HB ASP 12 3.618 -2.128 4.487 93 H CYS 13 H CYS 13 2.793 -2.872 1.211 94 HA CYS 13 HA CYS 13 0.099 -2.710 2.300 95 1HB CYS 13 2HB CYS 13 1.577 -1.077 0.602 96 2HB CYS 13 1HB CYS 13 0.427 -1.867 -0.469 97 H VAL 14 H VAL 14 1.527 -5.278 1.452 98 HA VAL 14 HA VAL 14 0.550 -6.326 -0.901 99 HB VAL 14 HB VAL 14 2.163 -7.395 0.757 100 1HG1 VAL 14 1HG1 VAL 14 -0.073 -8.944 1.902 101 2HG1 VAL 14 2HG1 VAL 14 0.146 -7.306 2.521 102 3HG1 VAL 14 3HG1 VAL 14 1.469 -8.467 2.616 103 1HG2 VAL 14 1HG2 VAL 14 1.165 -9.760 0.146 104 2HG2 VAL 14 2HG2 VAL 14 1.843 -8.696 -1.086 105 3HG2 VAL 14 3HG2 VAL 14 0.096 -8.786 -0.863 106 H MET 15 H MET 15 -1.171 -5.713 2.080 107 HA MET 15 HA MET 15 -3.398 -7.375 1.743 108 1HB MET 15 2HB MET 15 -2.658 -5.163 3.421 109 2HB MET 15 1HB MET 15 -4.301 -4.922 2.845 110 1HG MET 15 2HG MET 15 -5.123 -6.617 4.067 111 2HG MET 15 1HG MET 15 -3.699 -7.627 3.825 112 1HE MET 15 1HE MET 15 -3.977 -7.421 7.731 113 2HE MET 15 2HE MET 15 -3.891 -8.491 6.331 114 3HE MET 15 3HE MET 15 -5.312 -7.478 6.580 115 H CYS 16 H CYS 16 -2.444 -4.471 0.099 116 HA CYS 16 HA CYS 16 -5.055 -3.951 -1.032 117 1HB CYS 16 2HB CYS 16 -3.155 -2.243 -0.473 118 2HB CYS 16 1HB CYS 16 -2.493 -2.726 -2.031 119 H GLY 17 H GLY 17 -1.896 -5.182 -2.177 120 1HA GLY 17 2HA GLY 17 -3.165 -6.890 -4.088 121 2HA GLY 17 1HA GLY 17 -2.446 -5.491 -4.866 122 H LEU 18 H LEU 18 -1.261 -7.320 -5.926 123 HA LEU 18 HA LEU 18 0.883 -8.478 -4.354 124 1HB LEU 18 2HB LEU 18 -0.086 -8.913 -7.164 125 2HB LEU 18 1HB LEU 18 1.445 -9.561 -6.609 126 HG LEU 18 HG LEU 18 0.035 -10.635 -4.708 127 1HD1 LEU 18 1HD1 LEU 18 -2.181 -10.776 -6.644 128 2HD1 LEU 18 2HD1 LEU 18 -1.999 -9.241 -5.796 129 3HD1 LEU 18 3HD1 LEU 18 -2.209 -10.733 -4.882 130 1HD2 LEU 18 1HD2 LEU 18 -0.467 -12.573 -6.191 131 2HD2 LEU 18 2HD2 LEU 18 1.177 -11.953 -6.348 132 3HD2 LEU 18 3HD2 LEU 18 -0.032 -11.567 -7.573 133 H GLY 19 H GLY 19 1.961 -6.520 -3.926 134 1HA GLY 19 2HA GLY 19 4.076 -5.502 -4.390 135 2HA GLY 19 1HA GLY 19 3.765 -5.719 -6.108 136 H ILE 20 H ILE 20 2.858 -3.858 -3.251 137 HA ILE 20 HA ILE 20 1.691 -1.796 -4.990 138 HB ILE 20 HB ILE 20 1.368 -1.667 -2.049 139 1HG1 ILE 20 2HG1 ILE 20 1.006 -4.005 -2.318 140 2HG1 ILE 20 1HG1 ILE 20 -0.573 -3.238 -2.171 141 1HG2 ILE 20 1HG2 ILE 20 -1.017 -1.126 -2.887 142 2HG2 ILE 20 2HG2 ILE 20 -0.248 -0.991 -4.468 143 3HG2 ILE 20 3HG2 ILE 20 0.271 0.052 -3.145 144 1HD1 ILE 20 1HD1 ILE 20 0.122 -3.342 -4.929 145 2HD1 ILE 20 2HD1 ILE 20 -1.209 -4.132 -4.089 146 3HD1 ILE 20 3HD1 ILE 20 0.353 -4.938 -4.216 147 H SER 21 H SER 21 2.300 0.341 -4.823 148 HA SER 21 HA SER 21 4.930 0.812 -3.670 149 1HB SER 21 2HB SER 21 3.314 2.946 -5.029 150 2HB SER 21 1HB SER 21 5.060 2.713 -5.014 151 HG SER 21 HG SER 21 3.180 1.719 -6.729 152 H CYS 22 H CYS 22 5.269 1.859 -1.787 153 HA CYS 22 HA CYS 22 2.903 2.757 -0.336 154 1HB CYS 22 2HB CYS 22 4.748 1.158 0.586 155 2HB CYS 22 1HB CYS 22 5.635 2.648 0.884 156 H LYS 23 H LYS 23 2.401 4.775 -0.011 157 HA LYS 23 HA LYS 23 4.268 6.897 -0.767 158 1HB LYS 23 2HB LYS 23 1.576 6.521 -1.310 159 2HB LYS 23 1HB LYS 23 1.555 7.692 0.001 160 1HG LYS 23 2HG LYS 23 1.551 8.712 -2.249 161 2HG LYS 23 1HG LYS 23 2.921 9.208 -1.254 162 1HD LYS 23 2HD LYS 23 3.634 6.860 -2.710 163 2HD LYS 23 1HD LYS 23 2.959 8.047 -3.830 164 1HE LYS 23 2HE LYS 23 4.518 9.736 -2.927 165 2HE LYS 23 1HE LYS 23 5.225 8.498 -1.890 166 1HZ LYS 23 1HZ LYS 23 6.637 8.320 -3.623 167 2HZ LYS 23 2HZ LYS 23 5.531 8.920 -4.752 168 3HZ LYS 23 3HZ LYS 23 5.434 7.309 -4.251 169 H ASN 24 H ASN 24 2.895 8.866 0.846 170 HA ASN 24 HA ASN 24 4.445 8.970 3.098 171 1HB ASN 24 2HB ASN 24 3.072 10.834 2.007 172 2HB ASN 24 1HB ASN 24 1.715 10.241 2.956 173 1HD2 ASN 24 1HD2 ASN 24 3.505 12.740 2.937 174 2HD2 ASN 24 2HD2 ASN 24 3.894 12.958 4.606 175 H GLY 25 H GLY 25 4.056 6.591 3.603 176 1HA GLY 25 2HA GLY 25 3.529 5.143 5.318 177 2HA GLY 25 1HA GLY 25 2.600 6.430 6.068 178 H TYR 26 H TYR 26 1.762 5.773 2.784 179 HA TYR 26 HA TYR 26 -0.330 3.895 3.594 180 1HB TYR 26 2HB TYR 26 -0.862 6.607 2.388 181 2HB TYR 26 1HB TYR 26 -2.047 5.302 2.364 182 HD1 TYR 26 1HD TYR 26 -1.221 8.184 4.027 183 HD2 TYR 26 2HD TYR 26 -2.217 4.131 4.841 184 HE1 TYR 26 1HE TYR 26 -1.970 8.827 6.279 185 HE2 TYR 26 2HE TYR 26 -2.966 4.757 7.091 186 HH TYR 26 HH TYR 26 -3.873 7.401 8.061 187 H CYS 27 H CYS 27 -1.795 3.480 1.538 188 HA CYS 27 HA CYS 27 -0.023 2.333 -0.413 189 1HB CYS 27 2HB CYS 27 -2.652 1.832 0.547 190 2HB CYS 27 1HB CYS 27 -2.764 2.096 -1.187 191 H GLN 28 H GLN 28 0.137 2.795 -2.567 192 HA GLN 28 HA GLN 28 -0.692 5.472 -3.378 193 1HB GLN 28 2HB GLN 28 1.413 3.571 -4.160 194 2HB GLN 28 1HB GLN 28 0.681 4.427 -5.508 195 1HG GLN 28 2HG GLN 28 1.160 6.561 -4.324 196 2HG GLN 28 1HG GLN 28 2.043 5.630 -3.114 197 1HE2 GLN 28 1HE2 GLN 28 4.037 4.772 -3.621 198 2HE2 GLN 28 2HE2 GLN 28 4.897 5.183 -5.061 199 H GLY 29 H GLY 29 -0.777 2.176 -4.713 200 1HA GLY 29 2HA GLY 29 -3.457 2.164 -5.479 201 2HA GLY 29 1HA GLY 29 -2.523 2.743 -6.854 202 H CYS 30 H CYS 30 -3.478 0.018 -5.026 203 HA CYS 30 HA CYS 30 -1.458 -1.758 -6.042 204 1HB CYS 30 2HB CYS 30 -2.835 -3.513 -4.896 205 2HB CYS 30 1HB CYS 30 -2.310 -2.200 -3.852 206 H THR 31 H THR 31 -4.068 -3.693 -6.223 207 HA THR 31 HA THR 31 -4.181 -3.455 -9.132 208 HB THR 31 HB THR 31 -4.839 -5.732 -9.198 209 HG1 THR 31 1HG THR 31 -5.940 -6.653 -7.671 210 1HG2 THR 31 1HG2 THR 31 -2.482 -5.064 -7.928 211 2HG2 THR 31 2HG2 THR 31 -2.915 -6.642 -8.582 212 3HG2 THR 31 3HG2 THR 31 -3.200 -6.286 -6.879 Start of MODEL 17 1 1H THR 1 1HT THR 1 -8.619 -0.601 -2.175 2 2H THR 1 2HT THR 1 -9.987 -0.038 -3.045 3 3H THR 1 3HT THR 1 -9.732 0.464 -1.423 4 HA THR 1 HA THR 1 -8.079 1.112 -3.773 5 HB THR 1 HB THR 1 -8.849 3.469 -2.765 6 HG1 THR 1 1HG THR 1 -11.224 2.043 -2.347 7 1HG2 THR 1 1HG2 THR 1 -9.540 2.018 -5.005 8 2HG2 THR 1 2HG2 THR 1 -9.936 3.705 -4.679 9 3HG2 THR 1 3HG2 THR 1 -11.090 2.435 -4.274 10 HA PRO 2 HA PRO 2 -4.819 2.024 -0.902 11 1HB PRO 2 2HB PRO 2 -3.452 3.937 -2.171 12 2HB PRO 2 1HB PRO 2 -3.608 2.322 -2.869 13 1HG PRO 2 2HG PRO 2 -5.100 4.828 -3.538 14 2HG PRO 2 1HG PRO 2 -4.436 3.597 -4.627 15 1HD PRO 2 2HD PRO 2 -7.080 3.736 -3.842 16 2HD PRO 2 1HD PRO 2 -6.277 2.264 -4.423 17 H TYR 3 H TYR 3 -7.260 3.325 -0.141 18 HA TYR 3 HA TYR 3 -6.415 5.986 0.713 19 1HB TYR 3 2HB TYR 3 -8.843 5.060 -0.159 20 2HB TYR 3 1HB TYR 3 -9.048 5.011 1.588 21 HD1 TYR 3 1HD TYR 3 -10.367 6.812 2.207 22 HD2 TYR 3 2HD TYR 3 -7.259 7.435 -0.632 23 HE1 TYR 3 1HE TYR 3 -10.838 9.224 2.228 24 HE2 TYR 3 2HE TYR 3 -7.722 9.850 -0.618 25 HH TYR 3 HH TYR 3 -10.513 11.183 0.707 26 HA PRO 4 HA PRO 4 -6.888 3.818 4.881 27 1HB PRO 4 2HB PRO 4 -8.353 1.615 5.185 28 2HB PRO 4 1HB PRO 4 -9.119 3.178 4.882 29 1HG PRO 4 2HG PRO 4 -8.777 0.862 3.069 30 2HG PRO 4 1HG PRO 4 -10.025 2.118 3.068 31 1HD PRO 4 2HD PRO 4 -7.652 1.979 1.460 32 2HD PRO 4 1HD PRO 4 -8.894 3.245 1.468 33 H VAL 5 H VAL 5 -5.347 2.375 2.378 34 HA VAL 5 HA VAL 5 -4.396 0.068 3.913 35 HB VAL 5 HB VAL 5 -3.123 0.397 1.319 36 1HG1 VAL 5 1HG1 VAL 5 -2.915 -1.710 2.168 37 2HG1 VAL 5 2HG1 VAL 5 -4.329 -1.939 1.139 38 3HG1 VAL 5 3HG1 VAL 5 -4.531 -1.707 2.875 39 1HG2 VAL 5 1HG2 VAL 5 -6.123 0.043 1.317 40 2HG2 VAL 5 2HG2 VAL 5 -5.055 -0.040 -0.083 41 3HG2 VAL 5 3HG2 VAL 5 -5.278 1.490 0.766 42 H ASN 6 H ASN 6 -2.959 0.677 5.362 43 HA ASN 6 HA ASN 6 -0.930 2.674 4.757 44 1HB ASN 6 2HB ASN 6 -1.980 2.844 6.911 45 2HB ASN 6 1HB ASN 6 -1.641 1.164 7.273 46 1HD2 ASN 6 1HD2 ASN 6 0.566 0.560 7.677 47 2HD2 ASN 6 2HD2 ASN 6 1.678 1.734 8.284 48 H CYS 7 H CYS 7 1.330 2.228 5.335 49 HA CYS 7 HA CYS 7 2.384 -0.360 5.623 50 1HB CYS 7 2HB CYS 7 3.382 -0.632 3.316 51 2HB CYS 7 1HB CYS 7 1.653 -0.921 3.418 52 H LYS 8 H LYS 8 4.743 -0.473 4.873 53 HA LYS 8 HA LYS 8 6.062 2.131 5.246 54 1HB LYS 8 2HB LYS 8 6.809 -0.560 6.406 55 2HB LYS 8 1HB LYS 8 7.894 0.823 6.402 56 1HG LYS 8 2HG LYS 8 5.217 1.316 7.524 57 2HG LYS 8 1HG LYS 8 6.236 0.200 8.435 58 1HD LYS 8 2HD LYS 8 7.522 2.694 7.498 59 2HD LYS 8 1HD LYS 8 6.300 2.867 8.759 60 1HE LYS 8 2HE LYS 8 7.903 0.679 9.503 61 2HE LYS 8 1HE LYS 8 9.010 1.938 8.961 62 1HZ LYS 8 1HZ LYS 8 8.765 2.566 11.109 63 2HZ LYS 8 2HZ LYS 8 7.215 1.907 11.263 64 3HZ LYS 8 3HZ LYS 8 7.428 3.393 10.481 65 H THR 9 H THR 9 6.396 -1.184 4.007 66 HA THR 9 HA THR 9 8.246 -0.201 1.937 67 HB THR 9 HB THR 9 9.221 -2.370 1.827 68 HG1 THR 9 1HG THR 9 8.355 -4.147 2.870 69 1HG2 THR 9 1HG2 THR 9 9.515 -0.943 4.057 70 2HG2 THR 9 2HG2 THR 9 10.309 -2.495 3.791 71 3HG2 THR 9 3HG2 THR 9 8.831 -2.415 4.749 72 H ASP 10 H ASP 10 8.097 -2.019 0.000 73 HA ASP 10 HA ASP 10 5.705 -1.451 -1.336 74 1HB ASP 10 2HB ASP 10 8.037 -3.216 -1.837 75 2HB ASP 10 1HB ASP 10 6.567 -3.580 -2.734 76 H ARG 11 H ARG 11 6.765 -4.687 -0.214 77 HA ARG 11 HA ARG 11 4.183 -5.827 -0.586 78 1HB ARG 11 2HB ARG 11 6.719 -6.787 0.694 79 2HB ARG 11 1HB ARG 11 5.240 -7.728 0.821 80 1HG ARG 11 2HG ARG 11 5.591 -8.592 -1.182 81 2HG ARG 11 1HG ARG 11 5.585 -6.979 -1.900 82 1HD ARG 11 2HD ARG 11 8.012 -6.813 -1.124 83 2HD ARG 11 1HD ARG 11 7.921 -8.551 -0.848 84 HE ARG 11 HE ARG 11 8.007 -8.890 -3.111 85 1HH1 ARG 11 1HH1 ARG 11 7.306 -5.512 -2.516 86 2HH1 ARG 11 2HH1 ARG 11 7.516 -5.046 -4.170 87 1HH2 ARG 11 1HH2 ARG 11 8.281 -8.272 -5.294 88 2HH2 ARG 11 2HH2 ARG 11 8.069 -6.615 -5.747 89 H ASP 12 H ASP 12 4.931 -3.607 1.697 90 HA ASP 12 HA ASP 12 3.801 -4.899 4.009 91 1HB ASP 12 2HB ASP 12 4.975 -2.275 3.402 92 2HB ASP 12 1HB ASP 12 3.630 -2.210 4.533 93 H CYS 13 H CYS 13 2.709 -3.066 1.290 94 HA CYS 13 HA CYS 13 0.049 -2.714 2.423 95 1HB CYS 13 2HB CYS 13 1.554 -1.166 0.708 96 2HB CYS 13 1HB CYS 13 0.435 -1.972 -0.385 97 H VAL 14 H VAL 14 1.288 -5.387 1.695 98 HA VAL 14 HA VAL 14 0.280 -6.484 -0.619 99 HB VAL 14 HB VAL 14 1.753 -7.546 1.232 100 1HG1 VAL 14 1HG1 VAL 14 -0.348 -7.374 2.824 101 2HG1 VAL 14 2HG1 VAL 14 0.811 -8.694 2.958 102 3HG1 VAL 14 3HG1 VAL 14 -0.716 -8.945 2.112 103 1HG2 VAL 14 1HG2 VAL 14 1.537 -8.784 -0.696 104 2HG2 VAL 14 2HG2 VAL 14 -0.214 -8.927 -0.540 105 3HG2 VAL 14 3HG2 VAL 14 0.845 -9.872 0.508 106 H MET 15 H MET 15 -1.458 -5.585 2.274 107 HA MET 15 HA MET 15 -3.786 -7.106 1.999 108 1HB MET 15 2HB MET 15 -3.555 -4.263 3.009 109 2HB MET 15 1HB MET 15 -4.891 -5.361 3.319 110 1HG MET 15 2HG MET 15 -3.744 -6.545 4.878 111 2HG MET 15 1HG MET 15 -2.185 -6.267 4.104 112 1HE MET 15 1HE MET 15 -0.673 -5.627 5.644 113 2HE MET 15 2HE MET 15 -1.582 -5.852 7.139 114 3HE MET 15 3HE MET 15 -0.748 -4.328 6.834 115 H CYS 16 H CYS 16 -2.620 -4.384 0.178 116 HA CYS 16 HA CYS 16 -5.172 -3.797 -1.050 117 1HB CYS 16 2HB CYS 16 -3.211 -2.150 -0.560 118 2HB CYS 16 1HB CYS 16 -2.513 -2.790 -2.044 119 H GLY 17 H GLY 17 -2.066 -5.288 -2.019 120 1HA GLY 17 2HA GLY 17 -3.374 -7.070 -3.820 121 2HA GLY 17 1HA GLY 17 -2.611 -5.756 -4.699 122 H LEU 18 H LEU 18 -1.484 -7.675 -5.625 123 HA LEU 18 HA LEU 18 0.623 -8.801 -3.981 124 1HB LEU 18 2HB LEU 18 1.148 -10.100 -6.095 125 2HB LEU 18 1HB LEU 18 -0.374 -10.450 -5.303 126 HG LEU 18 HG LEU 18 -0.558 -8.412 -7.415 127 1HD1 LEU 18 1HD1 LEU 18 0.884 -9.570 -8.749 128 2HD1 LEU 18 2HD1 LEU 18 -0.609 -10.445 -9.089 129 3HD1 LEU 18 3HD1 LEU 18 0.563 -11.112 -7.953 130 1HD2 LEU 18 1HD2 LEU 18 -2.508 -9.353 -6.276 131 2HD2 LEU 18 2HD2 LEU 18 -2.069 -10.962 -6.849 132 3HD2 LEU 18 3HD2 LEU 18 -2.537 -9.713 -8.002 133 H GLY 19 H GLY 19 1.779 -6.876 -3.673 134 1HA GLY 19 2HA GLY 19 3.933 -5.969 -4.207 135 2HA GLY 19 1HA GLY 19 3.591 -6.253 -5.909 136 H ILE 20 H ILE 20 2.806 -4.233 -3.131 137 HA ILE 20 HA ILE 20 1.674 -2.210 -4.941 138 HB ILE 20 HB ILE 20 1.404 -1.970 -1.994 139 1HG1 ILE 20 2HG1 ILE 20 0.912 -4.286 -2.173 140 2HG1 ILE 20 1HG1 ILE 20 -0.631 -3.441 -2.073 141 1HG2 ILE 20 1HG2 ILE 20 0.366 -0.229 -3.093 142 2HG2 ILE 20 2HG2 ILE 20 -0.970 -1.348 -2.831 143 3HG2 ILE 20 3HG2 ILE 20 -0.193 -1.258 -4.411 144 1HD1 ILE 20 1HD1 ILE 20 -1.288 -4.407 -3.945 145 2HD1 ILE 20 2HD1 ILE 20 0.254 -5.251 -4.049 146 3HD1 ILE 20 3HD1 ILE 20 0.059 -3.677 -4.814 147 H SER 21 H SER 21 2.267 -0.029 -4.737 148 HA SER 21 HA SER 21 4.958 0.382 -3.673 149 1HB SER 21 2HB SER 21 3.436 2.545 -5.087 150 2HB SER 21 1HB SER 21 5.162 2.191 -5.114 151 HG SER 21 HG SER 21 4.843 0.642 -6.594 152 H CYS 22 H CYS 22 5.325 1.491 -1.827 153 HA CYS 22 HA CYS 22 2.982 2.540 -0.436 154 1HB CYS 22 2HB CYS 22 4.727 0.871 0.567 155 2HB CYS 22 1HB CYS 22 5.689 2.322 0.832 156 H LYS 23 H LYS 23 2.607 4.610 -0.137 157 HA LYS 23 HA LYS 23 4.606 6.582 -0.971 158 1HB LYS 23 2HB LYS 23 2.791 8.149 -1.128 159 2HB LYS 23 1HB LYS 23 2.284 6.667 -1.921 160 1HG LYS 23 2HG LYS 23 1.191 6.100 0.355 161 2HG LYS 23 1HG LYS 23 1.361 7.826 0.675 162 1HD LYS 23 2HD LYS 23 0.131 8.295 -1.420 163 2HD LYS 23 1HD LYS 23 -0.097 6.560 -1.642 164 1HE LYS 23 2HE LYS 23 -1.429 6.405 0.330 165 2HE LYS 23 1HE LYS 23 -1.026 8.055 0.802 166 1HZ LYS 23 1HZ LYS 23 -2.532 8.922 -0.612 167 2HZ LYS 23 2HZ LYS 23 -3.270 7.409 -0.447 168 3HZ LYS 23 3HZ LYS 23 -2.302 7.734 -1.795 169 H ASN 24 H ASN 24 3.416 8.678 0.641 170 HA ASN 24 HA ASN 24 5.044 8.685 2.855 171 1HB ASN 24 2HB ASN 24 3.498 10.534 1.660 172 2HB ASN 24 1HB ASN 24 2.514 10.215 3.086 173 1HD2 ASN 24 1HD2 ASN 24 2.880 11.626 4.635 174 2HD2 ASN 24 2HD2 ASN 24 4.406 12.335 5.029 175 H GLY 25 H GLY 25 4.447 6.357 3.402 176 1HA GLY 25 2HA GLY 25 3.875 5.027 5.202 177 2HA GLY 25 1HA GLY 25 2.993 6.381 5.887 178 H TYR 26 H TYR 26 2.135 5.663 2.626 179 HA TYR 26 HA TYR 26 -0.031 3.885 3.500 180 1HB TYR 26 2HB TYR 26 -0.435 6.574 2.205 181 2HB TYR 26 1HB TYR 26 -1.673 5.321 2.191 182 HD1 TYR 26 1HD TYR 26 -0.648 8.183 3.837 183 HD2 TYR 26 2HD TYR 26 -2.049 4.249 4.653 184 HE1 TYR 26 1HE TYR 26 -1.419 8.922 6.051 185 HE2 TYR 26 2HE TYR 26 -2.821 4.977 6.869 186 HH TYR 26 HH TYR 26 -1.867 7.385 8.453 187 H CYS 27 H CYS 27 -1.543 3.564 1.389 188 HA CYS 27 HA CYS 27 0.188 2.225 -0.493 189 1HB CYS 27 2HB CYS 27 -2.473 1.888 0.450 190 2HB CYS 27 1HB CYS 27 -2.554 2.116 -1.289 191 H GLN 28 H GLN 28 0.499 2.689 -2.614 192 HA GLN 28 HA GLN 28 -0.266 5.351 -3.517 193 1HB GLN 28 2HB GLN 28 1.796 3.348 -4.251 194 2HB GLN 28 1HB GLN 28 1.203 4.366 -5.546 195 1HG GLN 28 2HG GLN 28 1.714 6.330 -3.991 196 2HG GLN 28 1HG GLN 28 2.644 5.164 -3.049 197 1HE2 GLN 28 1HE2 GLN 28 4.599 4.464 -3.798 198 2HE2 GLN 28 2HE2 GLN 28 5.355 5.087 -5.222 199 H GLY 29 H GLY 29 -0.498 1.974 -4.597 200 1HA GLY 29 2HA GLY 29 -3.078 2.006 -5.540 201 2HA GLY 29 1HA GLY 29 -2.094 2.549 -6.895 202 H CYS 30 H CYS 30 -3.207 -0.131 -5.123 203 HA CYS 30 HA CYS 30 -1.178 -1.976 -5.993 204 1HB CYS 30 2HB CYS 30 -2.701 -3.681 -4.945 205 2HB CYS 30 1HB CYS 30 -2.190 -2.390 -3.868 206 H THR 31 H THR 31 -3.834 -3.822 -6.358 207 HA THR 31 HA THR 31 -4.207 -3.188 -9.197 208 HB THR 31 HB THR 31 -2.695 -4.965 -9.377 209 HG1 THR 31 1HG THR 31 -4.795 -5.380 -10.417 210 1HG2 THR 31 1HG2 THR 31 -3.494 -7.166 -7.974 211 2HG2 THR 31 2HG2 THR 31 -3.781 -5.859 -6.826 212 3HG2 THR 31 3HG2 THR 31 -2.177 -6.083 -7.524 Start of MODEL 18 1 1H THR 1 1HT THR 1 -9.134 3.709 -2.257 2 2H THR 1 2HT THR 1 -10.455 2.780 -2.831 3 3H THR 1 3HT THR 1 -9.146 3.146 -3.876 4 HA THR 1 HA THR 1 -9.454 1.107 -1.896 5 HB THR 1 HB THR 1 -7.239 0.896 -3.770 6 HG1 THR 1 1HG THR 1 -8.424 1.038 -5.653 7 1HG2 THR 1 1HG2 THR 1 -8.025 -1.143 -3.091 8 2HG2 THR 1 2HG2 THR 1 -8.842 -0.961 -4.644 9 3HG2 THR 1 3HG2 THR 1 -9.713 -0.635 -3.146 10 HA PRO 2 HA PRO 2 -4.973 2.260 -0.728 11 1HB PRO 2 2HB PRO 2 -3.659 4.252 -1.930 12 2HB PRO 2 1HB PRO 2 -3.843 2.679 -2.716 13 1HG PRO 2 2HG PRO 2 -5.350 5.220 -3.178 14 2HG PRO 2 1HG PRO 2 -4.741 4.049 -4.361 15 1HD PRO 2 2HD PRO 2 -7.349 4.160 -3.453 16 2HD PRO 2 1HD PRO 2 -6.585 2.722 -4.158 17 H TYR 3 H TYR 3 -7.368 3.515 0.232 18 HA TYR 3 HA TYR 3 -6.478 6.123 1.194 19 1HB TYR 3 2HB TYR 3 -8.900 5.457 0.353 20 2HB TYR 3 1HB TYR 3 -9.080 4.907 2.014 21 HD1 TYR 3 1HD TYR 3 -8.870 7.797 -0.176 22 HD2 TYR 3 2HD TYR 3 -8.905 6.523 3.883 23 HE1 TYR 3 1HE TYR 3 -9.374 10.097 0.536 24 HE2 TYR 3 2HE TYR 3 -9.409 8.817 4.606 25 HH TYR 3 HH TYR 3 -10.451 10.876 3.623 26 HA PRO 4 HA PRO 4 -6.684 3.716 5.250 27 1HB PRO 4 2HB PRO 4 -8.064 1.444 5.494 28 2HB PRO 4 1HB PRO 4 -8.887 3.001 5.350 29 1HG PRO 4 2HG PRO 4 -8.622 0.821 3.370 30 2HG PRO 4 1HG PRO 4 -9.879 2.058 3.521 31 1HD PRO 4 2HD PRO 4 -7.595 2.049 1.779 32 2HD PRO 4 1HD PRO 4 -8.859 3.283 1.920 33 H VAL 5 H VAL 5 -5.265 2.464 2.580 34 HA VAL 5 HA VAL 5 -4.112 0.137 3.951 35 HB VAL 5 HB VAL 5 -3.076 0.516 1.281 36 1HG1 VAL 5 1HG1 VAL 5 -2.866 -1.609 2.119 37 2HG1 VAL 5 2HG1 VAL 5 -4.292 -1.788 1.097 38 3HG1 VAL 5 3HG1 VAL 5 -4.476 -1.603 2.841 39 1HG2 VAL 5 1HG2 VAL 5 -6.077 0.206 1.450 40 2HG2 VAL 5 2HG2 VAL 5 -5.092 0.183 -0.012 41 3HG2 VAL 5 3HG2 VAL 5 -5.252 1.672 0.921 42 H ASN 6 H ASN 6 -2.609 0.887 5.308 43 HA ASN 6 HA ASN 6 -0.673 2.877 4.428 44 1HB ASN 6 2HB ASN 6 0.189 2.686 6.785 45 2HB ASN 6 1HB ASN 6 -1.482 3.216 6.655 46 1HD2 ASN 6 1HD2 ASN 6 0.630 0.571 7.514 47 2HD2 ASN 6 2HD2 ASN 6 -0.540 -0.325 8.415 48 H CYS 7 H CYS 7 1.673 2.465 4.992 49 HA CYS 7 HA CYS 7 2.717 -0.129 5.264 50 1HB CYS 7 2HB CYS 7 3.600 -0.434 2.910 51 2HB CYS 7 1HB CYS 7 1.878 -0.716 3.107 52 H LYS 8 H LYS 8 5.028 -0.281 4.448 53 HA LYS 8 HA LYS 8 6.398 2.310 4.737 54 1HB LYS 8 2HB LYS 8 7.537 -0.357 5.588 55 2HB LYS 8 1HB LYS 8 8.151 1.246 5.963 56 1HG LYS 8 2HG LYS 8 6.894 1.396 7.786 57 2HG LYS 8 1HG LYS 8 5.441 0.910 6.912 58 1HD LYS 8 2HD LYS 8 5.537 -0.929 8.198 59 2HD LYS 8 1HD LYS 8 6.793 -1.450 7.074 60 1HE LYS 8 2HE LYS 8 7.836 -1.745 9.109 61 2HE LYS 8 1HE LYS 8 8.382 -0.131 8.658 62 1HZ LYS 8 1HZ LYS 8 6.651 0.806 10.067 63 2HZ LYS 8 2HZ LYS 8 7.669 -0.206 10.962 64 3HZ LYS 8 3HZ LYS 8 6.133 -0.746 10.502 65 H THR 9 H THR 9 6.610 -0.988 3.434 66 HA THR 9 HA THR 9 8.299 0.011 1.240 67 HB THR 9 HB THR 9 9.318 -2.115 1.059 68 HG1 THR 9 1HG THR 9 7.382 -3.138 2.865 69 1HG2 THR 9 1HG2 THR 9 9.332 -2.598 3.851 70 2HG2 THR 9 2HG2 THR 9 9.340 -0.853 3.588 71 3HG2 THR 9 3HG2 THR 9 10.582 -1.862 2.847 72 H ASP 10 H ASP 10 8.019 -1.790 -0.688 73 HA ASP 10 HA ASP 10 5.502 -1.245 -1.803 74 1HB ASP 10 2HB ASP 10 6.172 -3.025 -3.511 75 2HB ASP 10 1HB ASP 10 7.250 -1.646 -3.337 76 H ARG 11 H ARG 11 6.769 -4.393 -0.674 77 HA ARG 11 HA ARG 11 4.262 -5.718 -0.941 78 1HB ARG 11 2HB ARG 11 5.407 -7.535 0.371 79 2HB ARG 11 1HB ARG 11 6.197 -7.055 -1.121 80 1HG ARG 11 2HG ARG 11 7.237 -5.493 1.034 81 2HG ARG 11 1HG ARG 11 7.292 -7.203 1.467 82 1HD ARG 11 2HD ARG 11 8.134 -6.759 -1.269 83 2HD ARG 11 1HD ARG 11 9.104 -5.828 -0.130 84 HE ARG 11 HE ARG 11 9.210 -8.625 -0.549 85 1HH1 ARG 11 1HH1 ARG 11 9.430 -6.224 1.990 86 2HH1 ARG 11 2HH1 ARG 11 10.408 -7.216 3.016 87 1HH2 ARG 11 1HH2 ARG 11 10.499 -9.934 0.808 88 2HH2 ARG 11 2HH2 ARG 11 11.019 -9.324 2.343 89 H ASP 12 H ASP 12 5.057 -3.424 1.284 90 HA ASP 12 HA ASP 12 4.003 -4.669 3.650 91 1HB ASP 12 2HB ASP 12 5.101 -2.035 2.945 92 2HB ASP 12 1HB ASP 12 3.804 -1.982 4.134 93 H CYS 13 H CYS 13 2.790 -2.868 0.952 94 HA CYS 13 HA CYS 13 0.170 -2.544 2.182 95 1HB CYS 13 2HB CYS 13 1.606 -1.051 0.330 96 2HB CYS 13 1HB CYS 13 0.370 -1.847 -0.639 97 H VAL 14 H VAL 14 1.403 -5.214 1.447 98 HA VAL 14 HA VAL 14 0.292 -6.354 -0.805 99 HB VAL 14 HB VAL 14 1.893 -7.370 0.951 100 1HG1 VAL 14 1HG1 VAL 14 1.095 -8.486 2.768 101 2HG1 VAL 14 2HG1 VAL 14 -0.484 -8.780 2.039 102 3HG1 VAL 14 3HG1 VAL 14 -0.091 -7.186 2.686 103 1HG2 VAL 14 1HG2 VAL 14 0.919 -9.722 0.341 104 2HG2 VAL 14 2HG2 VAL 14 1.580 -8.667 -0.909 105 3HG2 VAL 14 3HG2 VAL 14 -0.165 -8.777 -0.679 106 H MET 15 H MET 15 -1.281 -5.451 2.181 107 HA MET 15 HA MET 15 -3.605 -6.998 2.046 108 1HB MET 15 2HB MET 15 -2.656 -4.884 3.631 109 2HB MET 15 1HB MET 15 -4.166 -4.298 2.945 110 1HG MET 15 2HG MET 15 -5.431 -5.852 4.040 111 2HG MET 15 1HG MET 15 -4.114 -7.020 4.138 112 1HE MET 15 1HE MET 15 -1.859 -5.832 6.820 113 2HE MET 15 2HE MET 15 -2.159 -6.817 5.387 114 3HE MET 15 3HE MET 15 -2.884 -7.263 6.931 115 H CYS 16 H CYS 16 -2.569 -4.266 0.162 116 HA CYS 16 HA CYS 16 -5.189 -3.707 -0.928 117 1HB CYS 16 2HB CYS 16 -3.214 -2.043 -0.551 118 2HB CYS 16 1HB CYS 16 -2.601 -2.676 -2.074 119 H GLY 17 H GLY 17 -2.120 -5.144 -2.085 120 1HA GLY 17 2HA GLY 17 -3.509 -6.954 -3.800 121 2HA GLY 17 1HA GLY 17 -2.825 -5.627 -4.723 122 H LEU 18 H LEU 18 -1.732 -7.533 -5.712 123 HA LEU 18 HA LEU 18 0.499 -8.607 -4.203 124 1HB LEU 18 2HB LEU 18 0.911 -9.889 -6.377 125 2HB LEU 18 1HB LEU 18 -0.503 -10.307 -5.434 126 HG LEU 18 HG LEU 18 -0.973 -8.294 -7.534 127 1HD1 LEU 18 1HD1 LEU 18 0.719 -10.109 -8.401 128 2HD1 LEU 18 2HD1 LEU 18 -0.644 -9.585 -9.391 129 3HD1 LEU 18 3HD1 LEU 18 -0.738 -11.101 -8.493 130 1HD2 LEU 18 1HD2 LEU 18 -2.360 -10.865 -6.776 131 2HD2 LEU 18 2HD2 LEU 18 -2.976 -9.635 -7.879 132 3HD2 LEU 18 3HD2 LEU 18 -2.764 -9.259 -6.169 133 H GLY 19 H GLY 19 1.636 -6.665 -3.982 134 1HA GLY 19 2HA GLY 19 3.733 -5.725 -4.670 135 2HA GLY 19 1HA GLY 19 3.272 -6.010 -6.343 136 H ILE 20 H ILE 20 2.662 -4.005 -3.509 137 HA ILE 20 HA ILE 20 1.372 -2.001 -5.230 138 HB ILE 20 HB ILE 20 1.298 -1.766 -2.272 139 1HG1 ILE 20 2HG1 ILE 20 0.852 -4.094 -2.425 140 2HG1 ILE 20 1HG1 ILE 20 -0.697 -3.283 -2.206 141 1HG2 ILE 20 1HG2 ILE 20 -0.460 -1.081 -4.579 142 2HG2 ILE 20 2HG2 ILE 20 0.142 -0.050 -3.281 143 3HG2 ILE 20 3HG2 ILE 20 -1.147 -1.209 -2.961 144 1HD1 ILE 20 1HD1 ILE 20 -0.201 -3.499 -4.994 145 2HD1 ILE 20 2HD1 ILE 20 -1.475 -4.244 -4.034 146 3HD1 ILE 20 3HD1 ILE 20 0.065 -5.072 -4.247 147 H SER 21 H SER 21 1.941 0.187 -5.061 148 HA SER 21 HA SER 21 4.696 0.637 -4.201 149 1HB SER 21 2HB SER 21 2.894 2.614 -5.614 150 2HB SER 21 1HB SER 21 4.653 2.632 -5.516 151 HG SER 21 HG SER 21 3.159 1.533 -7.386 152 H CYS 22 H CYS 22 5.186 1.727 -2.377 153 HA CYS 22 HA CYS 22 2.949 2.761 -0.809 154 1HB CYS 22 2HB CYS 22 4.793 1.104 0.041 155 2HB CYS 22 1HB CYS 22 5.741 2.571 0.256 156 H LYS 23 H LYS 23 2.568 4.831 -0.546 157 HA LYS 23 HA LYS 23 4.525 6.809 -1.463 158 1HB LYS 23 2HB LYS 23 2.567 8.394 -1.321 159 2HB LYS 23 1HB LYS 23 2.403 7.115 -2.507 160 1HG LYS 23 2HG LYS 23 0.385 6.798 -1.631 161 2HG LYS 23 1HG LYS 23 1.227 6.005 -0.301 162 1HD LYS 23 2HD LYS 23 0.918 7.744 1.119 163 2HD LYS 23 1HD LYS 23 1.005 8.948 -0.166 164 1HE LYS 23 2HE LYS 23 -1.333 7.082 0.129 165 2HE LYS 23 1HE LYS 23 -1.252 8.627 0.973 166 1HZ LYS 23 1HZ LYS 23 -0.764 9.518 -1.413 167 2HZ LYS 23 2HZ LYS 23 -2.354 9.209 -0.928 168 3HZ LYS 23 3HZ LYS 23 -1.535 8.093 -1.900 169 H ASN 24 H ASN 24 3.275 8.888 0.208 170 HA ASN 24 HA ASN 24 4.988 8.981 2.335 171 1HB ASN 24 2HB ASN 24 3.165 10.586 3.346 172 2HB ASN 24 1HB ASN 24 4.072 11.048 1.907 173 1HD2 ASN 24 1HD2 ASN 24 1.005 9.966 3.156 174 2HD2 ASN 24 2HD2 ASN 24 0.072 10.363 1.757 175 H GLY 25 H GLY 25 4.612 6.611 2.883 176 1HA GLY 25 2HA GLY 25 4.221 5.175 4.646 177 2HA GLY 25 1HA GLY 25 3.395 6.483 5.478 178 H TYR 26 H TYR 26 2.299 5.736 2.270 179 HA TYR 26 HA TYR 26 0.225 3.957 3.289 180 1HB TYR 26 2HB TYR 26 -0.377 6.625 2.011 181 2HB TYR 26 1HB TYR 26 -1.578 5.361 2.267 182 HD1 TYR 26 1HD TYR 26 0.131 8.153 3.726 183 HD2 TYR 26 2HD TYR 26 -1.967 4.564 4.655 184 HE1 TYR 26 1HE TYR 26 -0.251 8.968 6.014 185 HE2 TYR 26 2HE TYR 26 -2.345 5.367 6.941 186 HH TYR 26 HH TYR 26 -0.882 7.291 8.488 187 H CYS 27 H CYS 27 -1.460 3.687 1.277 188 HA CYS 27 HA CYS 27 0.144 2.385 -0.738 189 1HB CYS 27 2HB CYS 27 -2.455 2.042 0.375 190 2HB CYS 27 1HB CYS 27 -2.634 2.264 -1.358 191 H GLN 28 H GLN 28 0.283 2.865 -2.869 192 HA GLN 28 HA GLN 28 -0.552 5.536 -3.686 193 1HB GLN 28 2HB GLN 28 1.476 3.563 -4.576 194 2HB GLN 28 1HB GLN 28 0.771 4.567 -5.827 195 1HG GLN 28 2HG GLN 28 1.365 6.551 -4.353 196 2HG GLN 28 1HG GLN 28 2.351 5.418 -3.430 197 1HE2 GLN 28 1HE2 GLN 28 4.289 4.765 -4.230 198 2HE2 GLN 28 2HE2 GLN 28 4.962 5.338 -5.713 199 H GLY 29 H GLY 29 -0.868 2.159 -4.712 200 1HA GLY 29 2HA GLY 29 -3.495 2.151 -5.476 201 2HA GLY 29 1HA GLY 29 -2.630 2.722 -6.899 202 H CYS 30 H CYS 30 -3.562 -0.001 -5.092 203 HA CYS 30 HA CYS 30 -1.538 -1.778 -6.102 204 1HB CYS 30 2HB CYS 30 -2.954 -3.541 -4.988 205 2HB CYS 30 1HB CYS 30 -2.399 -2.254 -3.929 206 H THR 31 H THR 31 -4.153 -3.703 -6.333 207 HA THR 31 HA THR 31 -4.723 -3.057 -9.137 208 HB THR 31 HB THR 31 -3.142 -4.760 -9.432 209 HG1 THR 31 1HG THR 31 -4.314 -6.241 -10.411 210 1HG2 THR 31 1HG2 THR 31 -3.761 -7.013 -8.017 211 2HG2 THR 31 2HG2 THR 31 -4.043 -5.735 -6.837 212 3HG2 THR 31 3HG2 THR 31 -2.472 -5.876 -7.623 Start of MODEL 19 1 1H THR 1 1HT THR 1 -9.233 1.106 -4.235 2 2H THR 1 2HT THR 1 -8.155 0.360 -3.129 3 3H THR 1 3HT THR 1 -7.577 1.547 -4.226 4 HA THR 1 HA THR 1 -8.799 3.231 -3.170 5 HB THR 1 HB THR 1 -10.038 2.530 -1.014 6 HG1 THR 1 1HG THR 1 -10.616 0.434 -0.837 7 1HG2 THR 1 1HG2 THR 1 -11.153 3.199 -3.171 8 2HG2 THR 1 2HG2 THR 1 -12.087 2.153 -2.104 9 3HG2 THR 1 3HG2 THR 1 -11.293 1.478 -3.528 10 HA PRO 2 HA PRO 2 -4.978 2.459 -0.675 11 1HB PRO 2 2HB PRO 2 -3.515 4.491 -1.636 12 2HB PRO 2 1HB PRO 2 -3.690 2.978 -2.533 13 1HG PRO 2 2HG PRO 2 -5.101 5.588 -2.923 14 2HG PRO 2 1HG PRO 2 -4.428 4.489 -4.139 15 1HD PRO 2 2HD PRO 2 -7.086 4.592 -3.466 16 2HD PRO 2 1HD PRO 2 -6.284 3.155 -4.133 17 H TYR 3 H TYR 3 -7.232 3.569 0.444 18 HA TYR 3 HA TYR 3 -6.345 6.114 1.590 19 1HB TYR 3 2HB TYR 3 -8.948 4.939 1.003 20 2HB TYR 3 1HB TYR 3 -8.850 5.539 2.654 21 HD1 TYR 3 1HD TYR 3 -10.228 6.468 -0.185 22 HD2 TYR 3 2HD TYR 3 -7.173 7.920 2.398 23 HE1 TYR 3 1HE TYR 3 -10.632 8.753 -0.998 24 HE2 TYR 3 2HE TYR 3 -7.570 10.207 1.592 25 HH TYR 3 HH TYR 3 -9.555 11.473 0.536 26 HA PRO 4 HA PRO 4 -6.732 3.377 5.419 27 1HB PRO 4 2HB PRO 4 -8.213 1.170 5.466 28 2HB PRO 4 1HB PRO 4 -8.971 2.765 5.410 29 1HG PRO 4 2HG PRO 4 -8.668 0.738 3.260 30 2HG PRO 4 1HG PRO 4 -9.960 1.920 3.518 31 1HD PRO 4 2HD PRO 4 -7.735 2.146 1.760 32 2HD PRO 4 1HD PRO 4 -8.944 3.389 2.129 33 H VAL 5 H VAL 5 -5.363 2.247 2.634 34 HA VAL 5 HA VAL 5 -4.288 -0.192 3.864 35 HB VAL 5 HB VAL 5 -3.181 0.123 1.277 36 1HG1 VAL 5 1HG1 VAL 5 -5.476 -1.701 1.706 37 2HG1 VAL 5 2HG1 VAL 5 -4.070 -1.894 2.754 38 3HG1 VAL 5 3HG1 VAL 5 -3.889 -2.014 1.004 39 1HG2 VAL 5 1HG2 VAL 5 -6.185 0.385 1.168 40 2HG2 VAL 5 2HG2 VAL 5 -5.053 0.349 -0.185 41 3HG2 VAL 5 3HG2 VAL 5 -5.080 1.734 0.905 42 H ASN 6 H ASN 6 -2.801 0.523 5.286 43 HA ASN 6 HA ASN 6 -0.818 2.497 4.492 44 1HB ASN 6 2HB ASN 6 -0.807 1.047 7.125 45 2HB ASN 6 1HB ASN 6 -0.221 2.663 6.754 46 1HD2 ASN 6 1HD2 ASN 6 -1.768 2.295 8.932 47 2HD2 ASN 6 2HD2 ASN 6 -3.334 2.984 8.687 48 H CYS 7 H CYS 7 1.503 2.075 5.036 49 HA CYS 7 HA CYS 7 2.571 -0.503 5.322 50 1HB CYS 7 2HB CYS 7 3.483 -0.823 2.988 51 2HB CYS 7 1HB CYS 7 1.758 -1.109 3.155 52 H LYS 8 H LYS 8 4.902 -0.632 4.650 53 HA LYS 8 HA LYS 8 6.195 2.003 4.907 54 1HB LYS 8 2HB LYS 8 7.351 -0.653 5.786 55 2HB LYS 8 1HB LYS 8 8.017 0.945 6.087 56 1HG LYS 8 2HG LYS 8 5.301 0.288 7.126 57 2HG LYS 8 1HG LYS 8 6.725 -0.342 7.955 58 1HD LYS 8 2HD LYS 8 7.590 1.906 8.244 59 2HD LYS 8 1HD LYS 8 6.237 2.570 7.325 60 1HE LYS 8 2HE LYS 8 4.870 2.513 9.094 61 2HE LYS 8 1HE LYS 8 5.380 0.887 9.541 62 1HZ LYS 8 1HZ LYS 8 6.984 1.669 10.931 63 2HZ LYS 8 2HZ LYS 8 5.881 2.943 11.067 64 3HZ LYS 8 3HZ LYS 8 7.231 3.099 10.061 65 H THR 9 H THR 9 6.445 -1.256 3.527 66 HA THR 9 HA THR 9 8.158 -0.184 1.384 67 HB THR 9 HB THR 9 9.054 -2.450 1.104 68 HG1 THR 9 1HG THR 9 7.310 -3.677 1.813 69 1HG2 THR 9 1HG2 THR 9 10.074 -0.891 2.809 70 2HG2 THR 9 2HG2 THR 9 10.421 -2.609 3.003 71 3HG2 THR 9 3HG2 THR 9 9.220 -1.830 4.033 72 H ASP 10 H ASP 10 7.978 -1.940 -0.568 73 HA ASP 10 HA ASP 10 5.511 -1.473 -1.779 74 1HB ASP 10 2HB ASP 10 7.721 -2.080 -2.894 75 2HB ASP 10 1HB ASP 10 7.337 -3.758 -2.519 76 H ARG 11 H ARG 11 6.745 -4.663 -0.722 77 HA ARG 11 HA ARG 11 4.232 -5.950 -1.005 78 1HB ARG 11 2HB ARG 11 5.331 -7.825 0.225 79 2HB ARG 11 1HB ARG 11 6.186 -7.273 -1.206 80 1HG ARG 11 2HG ARG 11 7.288 -5.782 0.855 81 2HG ARG 11 1HG ARG 11 7.054 -7.387 1.552 82 1HD ARG 11 2HD ARG 11 9.123 -7.658 0.611 83 2HD ARG 11 1HD ARG 11 8.098 -8.171 -0.729 84 HE ARG 11 HE ARG 11 8.763 -5.366 -0.751 85 1HH1 ARG 11 1HH1 ARG 11 9.772 -8.562 -1.764 86 2HH1 ARG 11 2HH1 ARG 11 10.730 -7.977 -3.080 87 1HH2 ARG 11 1HH2 ARG 11 10.023 -4.599 -2.487 88 2HH2 ARG 11 2HH2 ARG 11 10.874 -5.725 -3.491 89 H ASP 12 H ASP 12 5.011 -3.737 1.309 90 HA ASP 12 HA ASP 12 3.945 -5.070 3.612 91 1HB ASP 12 2HB ASP 12 4.992 -2.374 3.009 92 2HB ASP 12 1HB ASP 12 3.767 -2.447 4.269 93 H CYS 13 H CYS 13 2.707 -3.169 0.991 94 HA CYS 13 HA CYS 13 0.106 -2.891 2.268 95 1HB CYS 13 2HB CYS 13 1.467 -1.292 0.496 96 2HB CYS 13 1HB CYS 13 0.342 -2.134 -0.558 97 H VAL 14 H VAL 14 1.331 -5.532 1.485 98 HA VAL 14 HA VAL 14 0.263 -6.663 -0.769 99 HB VAL 14 HB VAL 14 1.786 -7.675 1.087 100 1HG1 VAL 14 1HG1 VAL 14 -0.301 -7.565 2.685 101 2HG1 VAL 14 2HG1 VAL 14 0.867 -8.881 2.793 102 3HG1 VAL 14 3HG1 VAL 14 -0.662 -9.127 1.949 103 1HG2 VAL 14 1HG2 VAL 14 -0.147 -9.106 -0.685 104 2HG2 VAL 14 2HG2 VAL 14 0.968 -10.013 0.336 105 3HG2 VAL 14 3HG2 VAL 14 1.593 -8.886 -0.868 106 H MET 15 H MET 15 -1.430 -5.697 2.120 107 HA MET 15 HA MET 15 -3.724 -7.250 2.024 108 1HB MET 15 2HB MET 15 -3.041 -4.562 3.051 109 2HB MET 15 1HB MET 15 -4.751 -4.839 2.751 110 1HG MET 15 2HG MET 15 -4.789 -6.692 4.251 111 2HG MET 15 1HG MET 15 -3.034 -6.656 4.421 112 1HE MET 15 1HE MET 15 -2.291 -5.344 7.199 113 2HE MET 15 2HE MET 15 -2.089 -3.809 6.354 114 3HE MET 15 3HE MET 15 -1.737 -5.324 5.525 115 H CYS 16 H CYS 16 -2.706 -4.635 -0.068 116 HA CYS 16 HA CYS 16 -5.293 -4.372 -1.340 117 1HB CYS 16 2HB CYS 16 -2.722 -2.955 -1.411 118 2HB CYS 16 1HB CYS 16 -3.486 -3.099 -2.992 119 H GLY 17 H GLY 17 -2.075 -5.656 -2.231 120 1HA GLY 17 2HA GLY 17 -3.208 -7.728 -3.816 121 2HA GLY 17 1HA GLY 17 -2.637 -6.424 -4.841 122 H LEU 18 H LEU 18 -1.275 -8.197 -5.669 123 HA LEU 18 HA LEU 18 0.971 -8.965 -4.000 124 1HB LEU 18 2HB LEU 18 1.633 -10.280 -6.088 125 2HB LEU 18 1HB LEU 18 0.227 -10.812 -5.191 126 HG LEU 18 HG LEU 18 -0.365 -8.958 -7.402 127 1HD1 LEU 18 1HD1 LEU 18 1.576 -10.644 -8.071 128 2HD1 LEU 18 2HD1 LEU 18 0.270 -10.220 -9.177 129 3HD1 LEU 18 3HD1 LEU 18 0.203 -11.732 -8.272 130 1HD2 LEU 18 1HD2 LEU 18 -1.462 -11.619 -6.499 131 2HD2 LEU 18 2HD2 LEU 18 -2.130 -10.646 -7.809 132 3HD2 LEU 18 3HD2 LEU 18 -2.137 -10.026 -6.159 133 H GLY 19 H GLY 19 1.868 -6.883 -3.825 134 1HA GLY 19 2HA GLY 19 3.938 -5.822 -4.480 135 2HA GLY 19 1HA GLY 19 3.521 -6.145 -6.156 136 H ILE 20 H ILE 20 2.698 -4.202 -3.327 137 HA ILE 20 HA ILE 20 1.332 -2.280 -5.085 138 HB ILE 20 HB ILE 20 1.070 -2.101 -2.143 139 1HG1 ILE 20 2HG1 ILE 20 0.839 -4.477 -2.371 140 2HG1 ILE 20 1HG1 ILE 20 -0.771 -3.791 -2.162 141 1HG2 ILE 20 1HG2 ILE 20 -0.212 -0.496 -3.148 142 2HG2 ILE 20 2HG2 ILE 20 -1.395 -1.799 -3.023 143 3HG2 ILE 20 3HG2 ILE 20 -0.567 -1.504 -4.552 144 1HD1 ILE 20 1HD1 ILE 20 0.100 -5.501 -4.185 145 2HD1 ILE 20 2HD1 ILE 20 -0.133 -3.930 -4.947 146 3HD1 ILE 20 3HD1 ILE 20 -1.456 -4.683 -4.063 147 H SER 21 H SER 21 2.338 -0.392 -5.451 148 HA SER 21 HA SER 21 4.778 0.317 -4.223 149 1HB SER 21 2HB SER 21 3.920 2.704 -5.177 150 2HB SER 21 1HB SER 21 4.639 1.462 -6.199 151 HG SER 21 HG SER 21 2.657 2.245 -7.043 152 H CYS 22 H CYS 22 5.230 1.617 -2.462 153 HA CYS 22 HA CYS 22 2.889 2.395 -0.858 154 1HB CYS 22 2HB CYS 22 4.598 0.663 -0.003 155 2HB CYS 22 1HB CYS 22 5.661 2.042 0.248 156 H LYS 23 H LYS 23 2.531 4.436 -0.336 157 HA LYS 23 HA LYS 23 4.457 6.485 -1.159 158 1HB LYS 23 2HB LYS 23 2.639 8.027 -1.115 159 2HB LYS 23 1HB LYS 23 2.037 6.572 -1.893 160 1HG LYS 23 2HG LYS 23 1.161 5.930 0.435 161 2HG LYS 23 1HG LYS 23 1.431 7.624 0.843 162 1HD LYS 23 2HD LYS 23 0.105 7.670 -1.608 163 2HD LYS 23 1HD LYS 23 -0.702 6.412 -0.674 164 1HE LYS 23 2HE LYS 23 -1.751 8.600 -0.344 165 2HE LYS 23 1HE LYS 23 -1.066 7.972 1.154 166 1HZ LYS 23 1HZ LYS 23 -0.662 10.439 0.365 167 2HZ LYS 23 2HZ LYS 23 0.621 9.724 -0.471 168 3HZ LYS 23 3HZ LYS 23 0.521 9.576 1.211 169 H ASN 24 H ASN 24 3.418 8.472 0.656 170 HA ASN 24 HA ASN 24 5.170 8.271 2.776 171 1HB ASN 24 2HB ASN 24 2.885 10.046 2.107 172 2HB ASN 24 1HB ASN 24 3.435 10.055 3.778 173 1HD2 ASN 24 1HD2 ASN 24 3.708 12.364 2.768 174 2HD2 ASN 24 2HD2 ASN 24 5.312 12.713 2.227 175 H GLY 25 H GLY 25 4.487 5.966 3.230 176 1HA GLY 25 2HA GLY 25 3.905 4.567 4.970 177 2HA GLY 25 1HA GLY 25 3.100 5.917 5.753 178 H TYR 26 H TYR 26 2.230 5.222 2.448 179 HA TYR 26 HA TYR 26 -0.045 3.602 3.305 180 1HB TYR 26 2HB TYR 26 -0.357 6.274 1.932 181 2HB TYR 26 1HB TYR 26 -1.651 5.088 2.092 182 HD1 TYR 26 1HD TYR 26 -0.356 7.987 3.470 183 HD2 TYR 26 2HD TYR 26 -1.907 4.200 4.626 184 HE1 TYR 26 1HE TYR 26 -0.911 8.898 5.684 185 HE2 TYR 26 2HE TYR 26 -2.459 5.093 6.841 186 HH TYR 26 HH TYR 26 -1.652 7.010 8.323 187 H CYS 27 H CYS 27 -1.536 3.245 1.254 188 HA CYS 27 HA CYS 27 0.124 1.875 -0.648 189 1HB CYS 27 2HB CYS 27 -2.581 1.726 0.263 190 2HB CYS 27 1HB CYS 27 -2.597 1.906 -1.482 191 H GLN 28 H GLN 28 0.358 2.290 -2.825 192 HA GLN 28 HA GLN 28 -0.161 5.036 -3.639 193 1HB GLN 28 2HB GLN 28 1.695 2.893 -4.471 194 2HB GLN 28 1HB GLN 28 1.119 3.935 -5.756 195 1HG GLN 28 2HG GLN 28 1.804 5.853 -4.132 196 2HG GLN 28 1HG GLN 28 2.802 4.602 -3.392 197 1HE2 GLN 28 1HE2 GLN 28 4.818 4.701 -4.076 198 2HE2 GLN 28 2HE2 GLN 28 5.333 5.084 -5.679 199 H GLY 29 H GLY 29 -0.981 1.722 -4.636 200 1HA GLY 29 2HA GLY 29 -3.413 2.632 -5.848 201 2HA GLY 29 1HA GLY 29 -2.215 2.151 -7.037 202 H CYS 30 H CYS 30 -4.417 1.100 -4.616 203 HA CYS 30 HA CYS 30 -3.925 -1.463 -4.033 204 1HB CYS 30 2HB CYS 30 -6.092 0.165 -3.793 205 2HB CYS 30 1HB CYS 30 -6.701 -1.029 -4.932 206 H THR 31 H THR 31 -2.810 -2.533 -5.600 207 HA THR 31 HA THR 31 -4.110 -3.104 -8.154 208 HB THR 31 HB THR 31 -1.628 -2.453 -7.862 209 HG1 THR 31 1HG THR 31 -2.053 -3.094 -9.848 210 1HG2 THR 31 1HG2 THR 31 -1.534 -4.689 -6.243 211 2HG2 THR 31 2HG2 THR 31 -0.162 -3.805 -6.908 212 3HG2 THR 31 3HG2 THR 31 -0.796 -5.214 -7.756 Start of MODEL 20 1 1H THR 1 1HT THR 1 -9.763 -0.147 -3.456 2 2H THR 1 2HT THR 1 -9.610 -0.032 -1.749 3 3H THR 1 3HT THR 1 -8.293 -0.593 -2.696 4 HA THR 1 HA THR 1 -8.286 1.583 -3.820 5 HB THR 1 HB THR 1 -10.070 2.293 -1.475 6 HG1 THR 1 1HG THR 1 -11.551 1.630 -2.809 7 1HG2 THR 1 1HG2 THR 1 -9.173 4.014 -3.775 8 2HG2 THR 1 2HG2 THR 1 -8.573 4.125 -2.121 9 3HG2 THR 1 3HG2 THR 1 -10.264 4.482 -2.470 10 HA PRO 2 HA PRO 2 -4.924 1.912 -0.902 11 1HB PRO 2 2HB PRO 2 -3.455 3.748 -2.174 12 2HB PRO 2 1HB PRO 2 -3.691 2.137 -2.861 13 1HG PRO 2 2HG PRO 2 -5.036 4.715 -3.562 14 2HG PRO 2 1HG PRO 2 -4.449 3.430 -4.633 15 1HD PRO 2 2HD PRO 2 -7.079 3.751 -3.842 16 2HD PRO 2 1HD PRO 2 -6.376 2.229 -4.425 17 H TYR 3 H TYR 3 -7.272 3.323 -0.121 18 HA TYR 3 HA TYR 3 -6.279 5.937 0.730 19 1HB TYR 3 2HB TYR 3 -8.829 4.968 -0.030 20 2HB TYR 3 1HB TYR 3 -8.928 5.359 1.682 21 HD1 TYR 3 1HD TYR 3 -7.256 6.931 -1.285 22 HD2 TYR 3 2HD TYR 3 -9.851 7.438 2.050 23 HE1 TYR 3 1HE TYR 3 -7.497 9.313 -1.841 24 HE2 TYR 3 2HE TYR 3 -10.100 9.821 1.501 25 HH TYR 3 HH TYR 3 -9.174 11.142 -1.442 26 HA PRO 4 HA PRO 4 -6.992 3.809 4.888 27 1HB PRO 4 2HB PRO 4 -8.532 1.657 5.158 28 2HB PRO 4 1HB PRO 4 -9.242 3.243 4.831 29 1HG PRO 4 2HG PRO 4 -8.857 0.929 3.006 30 2HG PRO 4 1HG PRO 4 -10.146 2.141 3.027 31 1HD PRO 4 2HD PRO 4 -7.844 2.111 1.369 32 2HD PRO 4 1HD PRO 4 -9.032 3.419 1.526 33 H VAL 5 H VAL 5 -5.495 2.281 2.379 34 HA VAL 5 HA VAL 5 -4.599 -0.025 3.952 35 HB VAL 5 HB VAL 5 -3.278 0.218 1.381 36 1HG1 VAL 5 1HG1 VAL 5 -3.512 -2.014 1.393 37 2HG1 VAL 5 2HG1 VAL 5 -5.216 -1.941 1.840 38 3HG1 VAL 5 3HG1 VAL 5 -3.971 -1.771 3.077 39 1HG2 VAL 5 1HG2 VAL 5 -6.293 0.055 1.291 40 2HG2 VAL 5 2HG2 VAL 5 -5.192 -0.105 -0.075 41 3HG2 VAL 5 3HG2 VAL 5 -5.341 1.441 0.763 42 H ASN 6 H ASN 6 -3.147 0.595 5.411 43 HA ASN 6 HA ASN 6 -1.107 2.556 4.750 44 1HB ASN 6 2HB ASN 6 -0.416 2.224 7.159 45 2HB ASN 6 1HB ASN 6 -2.042 2.844 6.917 46 1HD2 ASN 6 1HD2 ASN 6 -2.357 2.104 9.124 47 2HD2 ASN 6 2HD2 ASN 6 -2.766 0.450 9.407 48 H CYS 7 H CYS 7 1.176 2.123 5.405 49 HA CYS 7 HA CYS 7 2.211 -0.480 5.662 50 1HB CYS 7 2HB CYS 7 3.268 -0.684 3.373 51 2HB CYS 7 1HB CYS 7 1.537 -0.977 3.427 52 H LYS 8 H LYS 8 4.578 -0.592 5.203 53 HA LYS 8 HA LYS 8 5.863 2.009 5.680 54 1HB LYS 8 2HB LYS 8 6.217 0.746 7.632 55 2HB LYS 8 1HB LYS 8 6.420 -0.753 6.739 56 1HG LYS 8 2HG LYS 8 8.617 -0.476 6.606 57 2HG LYS 8 1HG LYS 8 8.443 1.184 6.036 58 1HD LYS 8 2HD LYS 8 7.814 0.836 8.874 59 2HD LYS 8 1HD LYS 8 9.481 0.432 8.461 60 1HE LYS 8 2HE LYS 8 9.643 2.641 7.301 61 2HE LYS 8 1HE LYS 8 8.048 3.034 7.942 62 1HZ LYS 8 1HZ LYS 8 8.859 3.346 10.010 63 2HZ LYS 8 2HZ LYS 8 10.302 3.656 9.185 64 3HZ LYS 8 3HZ LYS 8 10.033 2.136 9.876 65 H THR 9 H THR 9 6.241 -1.189 4.181 66 HA THR 9 HA THR 9 8.070 -0.004 2.201 67 HB THR 9 HB THR 9 8.872 -2.369 1.830 68 HG1 THR 9 1HG THR 9 7.541 -2.886 4.282 69 1HG2 THR 9 1HG2 THR 9 10.540 -1.563 3.045 70 2HG2 THR 9 2HG2 THR 9 9.803 -2.403 4.410 71 3HG2 THR 9 3HG2 THR 9 9.451 -0.697 4.128 72 H ASP 10 H ASP 10 8.010 -1.710 0.157 73 HA ASP 10 HA ASP 10 5.600 -1.163 -1.155 74 1HB ASP 10 2HB ASP 10 7.581 -3.324 -1.893 75 2HB ASP 10 1HB ASP 10 6.418 -2.549 -2.964 76 H ARG 11 H ARG 11 6.797 -4.402 -0.209 77 HA ARG 11 HA ARG 11 4.282 -5.646 -0.693 78 1HB ARG 11 2HB ARG 11 6.884 -6.518 0.495 79 2HB ARG 11 1HB ARG 11 5.467 -7.543 0.683 80 1HG ARG 11 2HG ARG 11 6.571 -8.339 -1.225 81 2HG ARG 11 1HG ARG 11 5.204 -7.405 -1.834 82 1HD ARG 11 2HD ARG 11 6.776 -5.458 -2.072 83 2HD ARG 11 1HD ARG 11 8.096 -6.566 -1.705 84 HE ARG 11 HE ARG 11 6.773 -7.758 -3.769 85 1HH1 ARG 11 1HH1 ARG 11 8.233 -4.610 -3.299 86 2HH1 ARG 11 2HH1 ARG 11 8.614 -4.400 -4.973 87 1HH2 ARG 11 1HH2 ARG 11 7.281 -7.477 -5.974 88 2HH2 ARG 11 2HH2 ARG 11 8.074 -6.028 -6.492 89 H ASP 12 H ASP 12 4.903 -3.533 1.717 90 HA ASP 12 HA ASP 12 3.803 -4.992 3.943 91 1HB ASP 12 2HB ASP 12 4.913 -2.320 3.495 92 2HB ASP 12 1HB ASP 12 3.513 -2.314 4.562 93 H CYS 13 H CYS 13 2.676 -3.023 1.330 94 HA CYS 13 HA CYS 13 -0.007 -2.824 2.436 95 1HB CYS 13 2HB CYS 13 1.461 -1.179 0.783 96 2HB CYS 13 1HB CYS 13 0.394 -1.999 -0.349 97 H VAL 14 H VAL 14 1.345 -5.427 1.612 98 HA VAL 14 HA VAL 14 0.373 -6.467 -0.740 99 HB VAL 14 HB VAL 14 1.885 -7.543 1.085 100 1HG1 VAL 14 1HG1 VAL 14 0.136 -7.571 2.831 101 2HG1 VAL 14 2HG1 VAL 14 0.816 -9.165 2.510 102 3HG1 VAL 14 3HG1 VAL 14 -0.770 -8.738 1.867 103 1HG2 VAL 14 1HG2 VAL 14 1.751 -8.674 -0.919 104 2HG2 VAL 14 2HG2 VAL 14 0.007 -8.912 -0.791 105 3HG2 VAL 14 3HG2 VAL 14 1.103 -9.861 0.213 106 H MET 15 H MET 15 -1.385 -5.761 2.196 107 HA MET 15 HA MET 15 -3.651 -7.355 1.870 108 1HB MET 15 2HB MET 15 -3.078 -4.761 3.220 109 2HB MET 15 1HB MET 15 -4.765 -5.179 2.960 110 1HG MET 15 2HG MET 15 -4.698 -6.950 4.405 111 2HG MET 15 1HG MET 15 -2.970 -7.211 4.179 112 1HE MET 15 1HE MET 15 -4.264 -6.989 7.493 113 2HE MET 15 2HE MET 15 -2.557 -6.630 7.754 114 3HE MET 15 3HE MET 15 -3.036 -7.784 6.509 115 H CYS 16 H CYS 16 -2.600 -4.526 0.136 116 HA CYS 16 HA CYS 16 -5.172 -4.033 -1.094 117 1HB CYS 16 2HB CYS 16 -3.290 -2.309 -0.546 118 2HB CYS 16 1HB CYS 16 -2.564 -2.867 -2.049 119 H GLY 17 H GLY 17 -1.998 -5.349 -2.081 120 1HA GLY 17 2HA GLY 17 -3.212 -7.130 -3.950 121 2HA GLY 17 1HA GLY 17 -2.487 -5.762 -4.776 122 H LEU 18 H LEU 18 -1.280 -7.647 -5.724 123 HA LEU 18 HA LEU 18 0.849 -8.704 -4.060 124 1HB LEU 18 2HB LEU 18 0.298 -9.245 -6.976 125 2HB LEU 18 1HB LEU 18 1.386 -10.136 -5.931 126 HG LEU 18 HG LEU 18 -0.915 -10.454 -4.558 127 1HD1 LEU 18 1HD1 LEU 18 -1.654 -9.921 -7.400 128 2HD1 LEU 18 2HD1 LEU 18 -2.478 -9.447 -5.914 129 3HD1 LEU 18 3HD1 LEU 18 -2.555 -11.119 -6.470 130 1HD2 LEU 18 1HD2 LEU 18 -0.332 -12.233 -6.897 131 2HD2 LEU 18 2HD2 LEU 18 -0.871 -12.667 -5.275 132 3HD2 LEU 18 3HD2 LEU 18 0.785 -12.122 -5.536 133 H GLY 19 H GLY 19 1.904 -6.707 -3.726 134 1HA GLY 19 2HA GLY 19 4.036 -5.724 -4.239 135 2HA GLY 19 1HA GLY 19 3.706 -5.990 -5.946 136 H ILE 20 H ILE 20 2.828 -4.057 -3.134 137 HA ILE 20 HA ILE 20 1.634 -2.043 -4.914 138 HB ILE 20 HB ILE 20 1.315 -1.878 -1.969 139 1HG1 ILE 20 2HG1 ILE 20 0.939 -4.212 -2.208 140 2HG1 ILE 20 1HG1 ILE 20 -0.641 -3.442 -2.093 141 1HG2 ILE 20 1HG2 ILE 20 0.208 -0.166 -3.044 142 2HG2 ILE 20 2HG2 ILE 20 -1.076 -1.353 -2.827 143 3HG2 ILE 20 3HG2 ILE 20 -0.281 -1.191 -4.393 144 1HD1 ILE 20 1HD1 ILE 20 0.329 -5.162 -4.110 145 2HD1 ILE 20 2HD1 ILE 20 0.070 -3.578 -4.838 146 3HD1 ILE 20 3HD1 ILE 20 -1.248 -4.385 -3.995 147 H SER 21 H SER 21 2.180 0.131 -4.718 148 HA SER 21 HA SER 21 4.828 0.637 -3.622 149 1HB SER 21 2HB SER 21 2.950 2.329 -5.292 150 2HB SER 21 1HB SER 21 4.497 2.913 -4.681 151 HG SER 21 HG SER 21 3.953 1.112 -6.716 152 H CYS 22 H CYS 22 5.217 1.886 -1.815 153 HA CYS 22 HA CYS 22 2.819 2.633 -0.295 154 1HB CYS 22 2HB CYS 22 4.623 0.977 0.572 155 2HB CYS 22 1HB CYS 22 5.558 2.430 0.907 156 H LYS 23 H LYS 23 2.366 4.625 0.248 157 HA LYS 23 HA LYS 23 4.156 6.805 -0.544 158 1HB LYS 23 2HB LYS 23 1.261 6.419 -0.258 159 2HB LYS 23 1HB LYS 23 1.815 7.926 0.443 160 1HG LYS 23 2HG LYS 23 2.206 8.857 -1.553 161 2HG LYS 23 1HG LYS 23 2.869 7.368 -2.232 162 1HD LYS 23 2HD LYS 23 0.911 7.654 -3.447 163 2HD LYS 23 1HD LYS 23 0.422 6.533 -2.173 164 1HE LYS 23 2HE LYS 23 -1.299 8.063 -2.122 165 2HE LYS 23 1HE LYS 23 -0.219 8.713 -0.891 166 1HZ LYS 23 1HZ LYS 23 0.165 9.658 -3.628 167 2HZ LYS 23 2HZ LYS 23 0.311 10.492 -2.164 168 3HZ LYS 23 3HZ LYS 23 -1.219 10.197 -2.819 169 H ASN 24 H ASN 24 3.113 8.698 1.331 170 HA ASN 24 HA ASN 24 4.847 8.439 3.468 171 1HB ASN 24 2HB ASN 24 3.647 10.546 2.538 172 2HB ASN 24 1HB ASN 24 2.351 10.106 3.646 173 1HD2 ASN 24 1HD2 ASN 24 5.782 10.900 3.462 174 2HD2 ASN 24 2HD2 ASN 24 5.907 11.521 5.070 175 H GLY 25 H GLY 25 4.153 6.132 3.857 176 1HA GLY 25 2HA GLY 25 3.509 4.704 5.563 177 2HA GLY 25 1HA GLY 25 2.640 6.031 6.312 178 H TYR 26 H TYR 26 1.938 5.426 2.960 179 HA TYR 26 HA TYR 26 -0.349 3.746 3.660 180 1HB TYR 26 2HB TYR 26 -0.580 6.477 2.401 181 2HB TYR 26 1HB TYR 26 -1.868 5.274 2.321 182 HD1 TYR 26 1HD TYR 26 -2.269 4.139 4.775 183 HD2 TYR 26 2HD TYR 26 -0.880 8.088 4.027 184 HE1 TYR 26 1HE TYR 26 -3.062 4.824 6.991 185 HE2 TYR 26 2HE TYR 26 -1.679 8.793 6.244 186 HH TYR 26 HH TYR 26 -3.788 6.988 8.107 187 H CYS 27 H CYS 27 -1.740 3.503 1.474 188 HA CYS 27 HA CYS 27 0.076 2.180 -0.353 189 1HB CYS 27 2HB CYS 27 -2.587 1.778 0.525 190 2HB CYS 27 1HB CYS 27 -2.655 2.047 -1.209 191 H GLN 28 H GLN 28 0.359 2.599 -2.493 192 HA GLN 28 HA GLN 28 -0.368 5.271 -3.412 193 1HB GLN 28 2HB GLN 28 1.738 3.312 -4.040 194 2HB GLN 28 1HB GLN 28 1.093 4.149 -5.440 195 1HG GLN 28 2HG GLN 28 1.675 6.273 -4.528 196 2HG GLN 28 1HG GLN 28 2.129 5.542 -2.989 197 1HE2 GLN 28 1HE2 GLN 28 4.226 5.311 -2.703 198 2HE2 GLN 28 2HE2 GLN 28 5.409 5.104 -3.943 199 H GLY 29 H GLY 29 -0.569 1.903 -4.539 200 1HA GLY 29 2HA GLY 29 -3.163 1.933 -5.471 201 2HA GLY 29 1HA GLY 29 -2.175 2.488 -6.818 202 H CYS 30 H CYS 30 -3.284 -0.211 -5.066 203 HA CYS 30 HA CYS 30 -1.238 -2.034 -5.929 204 1HB CYS 30 2HB CYS 30 -2.759 -3.762 -4.917 205 2HB CYS 30 1HB CYS 30 -2.276 -2.475 -3.823 206 H THR 31 H THR 31 -3.873 -3.899 -6.343 207 HA THR 31 HA THR 31 -4.267 -3.241 -9.169 208 HB THR 31 HB THR 31 -2.621 -4.895 -9.385 209 HG1 THR 31 1HG THR 31 -5.044 -6.372 -9.401 210 1HG2 THR 31 1HG2 THR 31 -3.754 -6.031 -6.922 211 2HG2 THR 31 2HG2 THR 31 -2.085 -5.960 -7.485 212 3HG2 THR 31 3HG2 THR 31 -3.175 -7.195 -8.112 Start of MODEL 21 1 1H THR 1 1HT THR 1 -10.107 1.720 -1.881 2 2H THR 1 2HT THR 1 -8.862 0.613 -2.294 3 3H THR 1 3HT THR 1 -9.892 1.241 -3.514 4 HA THR 1 HA THR 1 -7.961 2.414 -3.753 5 HB THR 1 HB THR 1 -8.684 4.678 -2.488 6 HG1 THR 1 1HG THR 1 -10.743 4.664 -1.858 7 1HG2 THR 1 1HG2 THR 1 -10.456 3.629 -4.664 8 2HG2 THR 1 2HG2 THR 1 -8.794 4.141 -4.961 9 3HG2 THR 1 3HG2 THR 1 -9.973 5.295 -4.337 10 HA PRO 2 HA PRO 2 -4.951 2.634 -0.516 11 1HB PRO 2 2HB PRO 2 -3.584 4.889 -1.071 12 2HB PRO 2 1HB PRO 2 -3.522 3.471 -2.125 13 1HG PRO 2 2HG PRO 2 -5.153 5.970 -2.407 14 2HG PRO 2 1HG PRO 2 -4.211 5.106 -3.638 15 1HD PRO 2 2HD PRO 2 -6.897 4.836 -3.391 16 2HD PRO 2 1HD PRO 2 -5.847 3.519 -3.960 17 H TYR 3 H TYR 3 -7.301 3.351 0.602 18 HA TYR 3 HA TYR 3 -6.803 5.839 2.071 19 1HB TYR 3 2HB TYR 3 -9.175 4.592 1.092 20 2HB TYR 3 1HB TYR 3 -9.263 4.607 2.848 21 HD1 TYR 3 1HD TYR 3 -10.608 6.251 0.337 22 HD2 TYR 3 2HD TYR 3 -7.971 7.129 3.561 23 HE1 TYR 3 1HE TYR 3 -11.329 8.599 0.280 24 HE2 TYR 3 2HE TYR 3 -8.685 9.481 3.510 25 HH TYR 3 HH TYR 3 -10.360 10.846 0.973 26 HA PRO 4 HA PRO 4 -6.918 2.630 5.537 27 1HB PRO 4 2HB PRO 4 -8.210 0.321 5.304 28 2HB PRO 4 1HB PRO 4 -9.104 1.844 5.385 29 1HG PRO 4 2HG PRO 4 -8.583 0.080 3.056 30 2HG PRO 4 1HG PRO 4 -9.965 1.138 3.379 31 1HD PRO 4 2HD PRO 4 -7.679 1.694 1.755 32 2HD PRO 4 1HD PRO 4 -9.020 2.784 2.147 33 H VAL 5 H VAL 5 -5.369 2.005 2.716 34 HA VAL 5 HA VAL 5 -4.108 -0.471 3.682 35 HB VAL 5 HB VAL 5 -3.075 0.172 1.133 36 1HG1 VAL 5 1HG1 VAL 5 -3.172 -2.051 1.387 37 2HG1 VAL 5 2HG1 VAL 5 -4.781 -1.892 0.684 38 3HG1 VAL 5 3HG1 VAL 5 -4.588 -1.971 2.435 39 1HG2 VAL 5 1HG2 VAL 5 -6.092 0.191 1.086 40 2HG2 VAL 5 2HG2 VAL 5 -4.999 0.324 -0.291 41 3HG2 VAL 5 3HG2 VAL 5 -5.095 1.630 0.888 42 H ASN 6 H ASN 6 -2.737 0.334 5.188 43 HA ASN 6 HA ASN 6 -0.859 2.448 4.492 44 1HB ASN 6 2HB ASN 6 -0.825 0.930 7.090 45 2HB ASN 6 1HB ASN 6 -0.314 2.583 6.773 46 1HD2 ASN 6 1HD2 ASN 6 -1.890 2.065 8.909 47 2HD2 ASN 6 2HD2 ASN 6 -3.479 2.690 8.649 48 H CYS 7 H CYS 7 1.490 2.115 5.060 49 HA CYS 7 HA CYS 7 2.648 -0.430 5.296 50 1HB CYS 7 2HB CYS 7 3.583 -0.675 2.968 51 2HB CYS 7 1HB CYS 7 1.865 -1.004 3.105 52 H LYS 8 H LYS 8 4.984 -0.448 4.452 53 HA LYS 8 HA LYS 8 6.217 2.203 4.807 54 1HB LYS 8 2HB LYS 8 7.497 -0.381 5.701 55 2HB LYS 8 1HB LYS 8 7.973 1.261 6.108 56 1HG LYS 8 2HG LYS 8 5.293 0.252 6.952 57 2HG LYS 8 1HG LYS 8 6.735 -0.218 7.852 58 1HD LYS 8 2HD LYS 8 7.260 2.308 7.899 59 2HD LYS 8 1HD LYS 8 5.564 2.516 7.457 60 1HE LYS 8 2HE LYS 8 4.829 1.933 9.504 61 2HE LYS 8 1HE LYS 8 6.030 0.655 9.679 62 1HZ LYS 8 1HZ LYS 8 6.837 3.486 9.868 63 2HZ LYS 8 2HZ LYS 8 7.587 2.118 10.520 64 3HZ LYS 8 3HZ LYS 8 6.157 2.703 11.205 65 H THR 9 H THR 9 6.613 -1.082 3.501 66 HA THR 9 HA THR 9 8.336 0.000 1.372 67 HB THR 9 HB THR 9 8.771 -2.662 1.185 68 HG1 THR 9 1HG THR 9 8.371 -3.685 2.964 69 1HG2 THR 9 1HG2 THR 9 10.157 -0.578 2.788 70 2HG2 THR 9 2HG2 THR 9 10.692 -1.437 1.345 71 3HG2 THR 9 3HG2 THR 9 10.688 -2.257 2.905 72 H ASP 10 H ASP 10 8.188 -1.770 -0.598 73 HA ASP 10 HA ASP 10 5.735 -1.296 -1.840 74 1HB ASP 10 2HB ASP 10 8.064 -3.071 -2.421 75 2HB ASP 10 1HB ASP 10 6.580 -3.325 -3.331 76 H ARG 11 H ARG 11 6.939 -4.512 -0.838 77 HA ARG 11 HA ARG 11 4.406 -5.765 -1.113 78 1HB ARG 11 2HB ARG 11 5.503 -7.668 0.090 79 2HB ARG 11 1HB ARG 11 6.323 -7.121 -1.363 80 1HG ARG 11 2HG ARG 11 7.500 -5.655 0.678 81 2HG ARG 11 1HG ARG 11 7.275 -7.267 1.362 82 1HD ARG 11 2HD ARG 11 8.469 -6.854 -1.361 83 2HD ARG 11 1HD ARG 11 9.456 -6.800 0.099 84 HE ARG 11 HE ARG 11 8.209 -9.142 0.395 85 1HH1 ARG 11 1HH1 ARG 11 9.852 -7.778 -2.381 86 2HH1 ARG 11 2HH1 ARG 11 10.322 -9.318 -3.014 87 1HH2 ARG 11 1HH2 ARG 11 8.834 -11.170 -0.447 88 2HH2 ARG 11 2HH2 ARG 11 9.746 -11.243 -1.917 89 H ASP 12 H ASP 12 5.140 -3.561 1.178 90 HA ASP 12 HA ASP 12 4.136 -4.908 3.512 91 1HB ASP 12 2HB ASP 12 5.147 -2.208 2.876 92 2HB ASP 12 1HB ASP 12 3.898 -2.260 4.113 93 H CYS 13 H CYS 13 2.892 -3.005 0.893 94 HA CYS 13 HA CYS 13 0.256 -2.814 2.110 95 1HB CYS 13 2HB CYS 13 1.639 -1.143 0.415 96 2HB CYS 13 1HB CYS 13 0.540 -1.968 -0.685 97 H VAL 14 H VAL 14 1.607 -5.400 1.207 98 HA VAL 14 HA VAL 14 0.543 -6.450 -1.101 99 HB VAL 14 HB VAL 14 2.171 -7.539 0.542 100 1HG1 VAL 14 1HG1 VAL 14 0.725 -7.418 2.518 101 2HG1 VAL 14 2HG1 VAL 14 1.243 -9.069 2.178 102 3HG1 VAL 14 3HG1 VAL 14 -0.391 -8.556 1.763 103 1HG2 VAL 14 1HG2 VAL 14 1.153 -9.885 -0.058 104 2HG2 VAL 14 2HG2 VAL 14 1.782 -8.818 -1.314 105 3HG2 VAL 14 3HG2 VAL 14 0.044 -8.913 -1.026 106 H MET 15 H MET 15 -1.068 -5.810 1.935 107 HA MET 15 HA MET 15 -3.345 -7.398 1.709 108 1HB MET 15 2HB MET 15 -4.469 -5.443 2.983 109 2HB MET 15 1HB MET 15 -3.137 -6.292 3.755 110 1HG MET 15 2HG MET 15 -1.641 -4.521 3.363 111 2HG MET 15 1HG MET 15 -2.725 -3.757 2.201 112 1HE MET 15 1HE MET 15 -2.112 -4.771 5.833 113 2HE MET 15 2HE MET 15 -3.825 -5.192 5.832 114 3HE MET 15 3HE MET 15 -3.257 -3.811 6.770 115 H CYS 16 H CYS 16 -2.397 -4.571 -0.073 116 HA CYS 16 HA CYS 16 -5.032 -4.043 -1.143 117 1HB CYS 16 2HB CYS 16 -3.107 -2.338 -0.710 118 2HB CYS 16 1HB CYS 16 -2.468 -2.909 -2.246 119 H GLY 17 H GLY 17 -1.949 -5.419 -2.310 120 1HA GLY 17 2HA GLY 17 -3.297 -7.159 -4.124 121 2HA GLY 17 1HA GLY 17 -2.591 -5.798 -4.980 122 H LEU 18 H LEU 18 -1.471 -7.688 -6.009 123 HA LEU 18 HA LEU 18 0.721 -8.812 -4.474 124 1HB LEU 18 2HB LEU 18 -0.211 -9.314 -7.300 125 2HB LEU 18 1HB LEU 18 1.178 -10.094 -6.573 126 HG LEU 18 HG LEU 18 -0.657 -11.625 -6.501 127 1HD1 LEU 18 1HD1 LEU 18 0.867 -11.255 -4.445 128 2HD1 LEU 18 2HD1 LEU 18 -0.576 -12.255 -4.280 129 3HD1 LEU 18 3HD1 LEU 18 -0.586 -10.590 -3.697 130 1HD2 LEU 18 1HD2 LEU 18 -2.278 -9.692 -4.875 131 2HD2 LEU 18 2HD2 LEU 18 -2.799 -11.170 -5.683 132 3HD2 LEU 18 3HD2 LEU 18 -2.388 -9.744 -6.635 133 H GLY 19 H GLY 19 1.843 -6.854 -4.169 134 1HA GLY 19 2HA GLY 19 3.953 -5.888 -4.783 135 2HA GLY 19 1HA GLY 19 3.531 -6.130 -6.474 136 H ILE 20 H ILE 20 2.839 -4.212 -3.598 137 HA ILE 20 HA ILE 20 1.574 -2.163 -5.287 138 HB ILE 20 HB ILE 20 1.428 -2.023 -2.328 139 1HG1 ILE 20 2HG1 ILE 20 0.990 -4.343 -2.558 140 2HG1 ILE 20 1HG1 ILE 20 -0.569 -3.546 -2.368 141 1HG2 ILE 20 1HG2 ILE 20 0.304 -0.277 -3.340 142 2HG2 ILE 20 2HG2 ILE 20 -0.991 -1.433 -3.030 143 3HG2 ILE 20 3HG2 ILE 20 -0.303 -1.292 -4.647 144 1HD1 ILE 20 1HD1 ILE 20 0.273 -5.271 -4.435 145 2HD1 ILE 20 2HD1 ILE 20 0.018 -3.677 -5.142 146 3HD1 ILE 20 3HD1 ILE 20 -1.280 -4.460 -4.247 147 H SER 21 H SER 21 2.106 0.022 -5.027 148 HA SER 21 HA SER 21 4.820 0.488 -4.054 149 1HB SER 21 2HB SER 21 4.259 2.855 -5.066 150 2HB SER 21 1HB SER 21 4.628 1.509 -6.143 151 HG SER 21 HG SER 21 2.706 2.772 -6.672 152 H CYS 22 H CYS 22 5.272 1.795 -2.300 153 HA CYS 22 HA CYS 22 2.927 2.560 -0.712 154 1HB CYS 22 2HB CYS 22 4.815 0.972 0.138 155 2HB CYS 22 1HB CYS 22 5.704 2.468 0.408 156 H LYS 23 H LYS 23 2.456 4.581 -0.259 157 HA LYS 23 HA LYS 23 4.240 6.721 -1.164 158 1HB LYS 23 2HB LYS 23 2.334 8.148 -1.169 159 2HB LYS 23 1HB LYS 23 1.802 6.630 -1.876 160 1HG LYS 23 2HG LYS 23 1.078 6.101 0.592 161 2HG LYS 23 1HG LYS 23 1.093 7.859 0.739 162 1HD LYS 23 2HD LYS 23 -0.242 6.844 -1.668 163 2HD LYS 23 1HD LYS 23 -1.017 6.385 -0.153 164 1HE LYS 23 2HE LYS 23 -2.030 8.381 -0.323 165 2HE LYS 23 1HE LYS 23 -0.505 9.014 0.294 166 1HZ LYS 23 1HZ LYS 23 -0.849 10.289 -1.570 167 2HZ LYS 23 2HZ LYS 23 -1.542 9.029 -2.459 168 3HZ LYS 23 3HZ LYS 23 0.129 9.063 -2.204 169 H ASN 24 H ASN 24 3.108 8.692 0.604 170 HA ASN 24 HA ASN 24 4.877 8.653 2.713 171 1HB ASN 24 2HB ASN 24 3.475 10.595 1.692 172 2HB ASN 24 1HB ASN 24 2.288 10.152 2.912 173 1HD2 ASN 24 1HD2 ASN 24 2.725 10.537 5.072 174 2HD2 ASN 24 2HD2 ASN 24 4.040 11.532 5.587 175 H GLY 25 H GLY 25 4.332 6.312 3.238 176 1HA GLY 25 2HA GLY 25 3.870 4.956 5.059 177 2HA GLY 25 1HA GLY 25 2.953 6.269 5.776 178 H TYR 26 H TYR 26 2.068 5.533 2.525 179 HA TYR 26 HA TYR 26 -0.009 3.664 3.399 180 1HB TYR 26 2HB TYR 26 -0.605 6.317 2.080 181 2HB TYR 26 1HB TYR 26 -1.778 5.013 2.248 182 HD1 TYR 26 1HD TYR 26 -1.990 4.086 4.735 183 HD2 TYR 26 2HD TYR 26 -0.626 7.977 3.688 184 HE1 TYR 26 1HE TYR 26 -2.568 4.886 6.981 185 HE2 TYR 26 2HE TYR 26 -1.210 8.794 5.931 186 HH TYR 26 HH TYR 26 -1.458 7.591 8.323 187 H CYS 27 H CYS 27 -1.554 3.372 1.269 188 HA CYS 27 HA CYS 27 0.195 2.093 -0.630 189 1HB CYS 27 2HB CYS 27 -2.492 1.768 0.254 190 2HB CYS 27 1HB CYS 27 -2.529 2.028 -1.483 191 H GLN 28 H GLN 28 0.527 2.611 -2.742 192 HA GLN 28 HA GLN 28 -0.231 5.308 -3.561 193 1HB GLN 28 2HB GLN 28 1.912 3.415 -4.245 194 2HB GLN 28 1HB GLN 28 1.262 4.288 -5.622 195 1HG GLN 28 2HG GLN 28 1.622 6.396 -4.235 196 2HG GLN 28 1HG GLN 28 2.604 5.384 -3.179 197 1HE2 GLN 28 1HE2 GLN 28 4.632 4.819 -3.799 198 2HE2 GLN 28 2HE2 GLN 28 5.373 5.343 -5.270 199 H GLY 29 H GLY 29 -0.719 1.945 -4.472 200 1HA GLY 29 2HA GLY 29 -3.197 2.013 -5.499 201 2HA GLY 29 1HA GLY 29 -2.235 2.602 -6.851 202 H CYS 30 H CYS 30 -3.377 -0.146 -5.240 203 HA CYS 30 HA CYS 30 -1.314 -1.928 -6.206 204 1HB CYS 30 2HB CYS 30 -2.731 -3.695 -5.134 205 2HB CYS 30 1HB CYS 30 -2.230 -2.412 -4.043 206 H THR 31 H THR 31 -3.884 -3.858 -6.518 207 HA THR 31 HA THR 31 -3.971 -3.490 -9.414 208 HB THR 31 HB THR 31 -4.576 -5.764 -9.608 209 HG1 THR 31 1HG THR 31 -5.343 -5.571 -6.901 210 1HG2 THR 31 1HG2 THR 31 -2.295 -5.144 -8.135 211 2HG2 THR 31 2HG2 THR 31 -2.641 -6.642 -8.999 212 3HG2 THR 31 3HG2 THR 31 -3.046 -6.497 -7.288
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